A0A3Q0KF32_SCHMA Loading...

Beta-glucosidase

AlphaFold DB , UniProt , Accession A0A3Q0KF32, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 845 aa.

						>A0A3Q0KF32_SCHMA|A0A3Q0KF32
MQQTSFHFMFLCSLLIFIQQRNKTDAQIFRNLSVSIKKRLDDLISSLTIEEIVDQMANGGAGPTYGPAPAIPRLKIKPYQWRTNPNQGLCTSFVSHINQAASFDILDVWKIAFANGLEMRAKWNQFSQQNNYRDNTGINVFAPTVNLLRHPLWGRNKETYGEDPYLAAELARAYVHGISGWNVPNDGAIKVHLLTINPIRQHVLLVGANCKHYAAHSGPENDPVSRLSFEADVPEHDLWMTYLPAFRACMEAGAVGVMCAYSGVNGTPACVNHWLLDTVLRKQWKYPGFVISDEGALQFLISKHHVYSSLQEAALAAVKAGVNIENALPNAVNVYSELLNLTKSGNVSEDELRNLVRPLFLARILEGELNSPEMDPYAHLLPSTVVKSERHKYLSLVTAAKSMVLLKNYEEFLPIETKPDANERPLKHVALLGPFSTNISELVGSYTKHIDPNDTVPLDKALEKISGNVTASDICIDGGKCTMFDDLAIQEILSQPDIDLVIITIGTGRNVEDESHDRHNLSLPGHQNEFLLSTLDMAAGRGIIRRKPVPVVLLVFSSGPIDIEPAVKDENVKSIFWCGYMNDILGEVIVRVLIGNPGKQFGPYAPLLRLDPELSEIGMWGTDIDEGYWWIPAARLPFTWYSSIDELAHITVYKMTNQTYRYLPKSCTKQQKGCKIPILYPFGYGLSYNMLSPSLSGIKYLKLELPLSPVKPNQPITVYATVANVGAIACEEVVQLYIQWVKCGQTDITNEDQWECTVPNIQLAGFKRIRLDVGEKKDLHFQISPDQLSVWSNQNKSMVPGQGTLRITVGGQQPDQPVTVGSNYLIGIVKIDHTKQSHGWKMPGT
					

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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	43	Very low	51.8	Low	230 Å²	230	153.9 Å²	153.9	100%	1.133	76%	0.757	S	S	*	*				0	96.6	0	-94.5	170	152.5	0	0	108.4	Q3	M1-Q3 VanDerWaalsContact C-N 3.26Å; M1-Q3 PolarHBondContact O-N 3.18Å
2	Q	48.7	Very low	52	Low	190 Å²	190	145.8 Å²	145.8	89%	0.888	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	10.7	-164.9	-82.5	168.7	-36.1	0	0	115.9
3	Q	48.9	Very low	52.1	Low	176 Å²	176	138.2 Å²	138.2	82%	0.822	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-14.3	-174	-85	179.6	-18.7	0	0	115.5	M1	M1-Q3 VanDerWaalsContact C-N 3.26Å; M1-Q3 PolarHBondContact O-N 3.18Å
4	T	50.2	Low	52.1	Low	118 Å²	118	135.2 Å²	135.2	72%	0.724	68%	0.681	S	S	*	*	H	α-helix	trans	-84.1	-22.2	-178.6	50	0	0	0	0	114
5	S	53.6	Low	52	Low	92 Å²	92	132.9 Å²	132.9	64%	0.643	67%	0.671	S	S	*	*	H	α-helix	trans	-77.2	-22	-179.7	-68.3	0	0	0	0	114.4
6	F	53	Low	51.9	Low	164 Å²	164	130 Å²	130	72%	0.719	66%	0.657	S	S	*	*	H	α-helix	trans	-77.8	-29.6	-176.7	-114.3	-86.8	0	0	0	113.5
7	H	53.4	Low	51.5	Low	150 Å²	150	131.1 Å²	131.1	69%	0.694	66%	0.656	S	S	*	*	H	α-helix	trans	-75.8	-29.1	178.2	-79.5	19.1	0	0	0	113.2	L11	H7-L11 PolarHBondContact O-N 3.48Å
8	F	53.7	Low	51.2	Low	157 Å²	157	129.6 Å²	129.6	69%	0.689	65%	0.649	S	S	*	*	H	α-helix	trans	-72	-33.6	177.8	-150.1	-97.2	0	0	0	112.1	C12	F8-C12 PolarHBondContact O-N 3.29Å
9	M	54.8	Low	50.6	Low	149 Å²	149	130.1 Å²	130.1	73%	0.734	65%	0.65	S	S	*	*	H	α-helix	trans	-71.4	-29.7	179.1	-122.2	178.4	164.1	0	0	113.3	S13	M9-S13 PolarHBondContact O-N 3.2Å; M9-S13 PolarHBondContact O-OG 3.03Å
10	F	56.9	Low	50	Low	145 Å²	145	130.4 Å²	130.4	64%	0.636	65%	0.649	S	S	*	*	H	α-helix	trans	-77.5	-33.5	179.3	-142.7	-93.4	0	0	0	112.7	S13 L14	F10-S13 WeakPolarHBondContact CA-OG 3.42Å; F10-S13 PolarHBondContact O-OG 3.15Å; F10-L14 HydrophobicContact CD1-CD1 4.31Å; F10-L14 HydrophobicContact CE1-CD1 4.12Å; F10-L14 PolarHBondContact O-N 2.74Å
11	L	54.1	Low	49.4	Very low	122 Å²	122	134.1 Å²	134.1	64%	0.639	66%	0.656	S	S	*	*	H	α-helix	trans	-72.2	-37.1	175.1	-95.5	135.5	0	0	0	112.7	H7 L15	H7-L11 PolarHBondContact O-N 3.48Å; L11-L15 PolarHBondContact O-N 3.29Å
12	C	53.3	Low	49.2	Very low	56 Å²	56	129.5 Å²	129.5	38%	0.378	64%	0.635	S	S	.	*	H	α-helix	trans	-68.3	-34.7	175	-72.9	0	0	0	0	112.7	F8 I16	F8-C12 PolarHBondContact O-N 3.29Å; C12-I16 WeakPolarHBondContact O-CB 3.37Å; C12-I16 WeakPolarHBondContact O-CD1 3.18Å; C12-I16 WeakPolarHBondContact O-CG1 3.47Å; C12-I16 PolarHBondContact O-N 3.18Å
13	S	53.6	Low	48.6	Very low	47 Å²	47	129 Å²	129	33%	0.329	63%	0.63	S	S	.	*	H	α-helix	trans	-73.4	-33.9	177.5	37.7	0	0	0	0	112.5	M9 F10 I16 F17	M9-S13 PolarHBondContact O-N 3.2Å; M9-S13 PolarHBondContact O-OG 3.03Å; F10-S13 WeakPolarHBondContact CA-OG 3.42Å; F10-S13 PolarHBondContact O-OG 3.15Å; S13-I16 PolarHBondContact O-N 2.93Å; S13-F17 WeakPolarHBondContact O-CB 3.39Å; S13-F17 WeakPolarHBondContact O-CD2 3.37Å; S13-F17 PolarHBondContact O-N 3.46Å
14	L	51.8	Low	48.4	Very low	97 Å²	97	126.2 Å²	126.2	51%	0.508	63%	0.625	S	S	.	*	H	α-helix	trans	-67.3	-38.8	172.3	-120.1	93.6	0	0	0	112.5	F10 F17 I18	F10-L14 HydrophobicContact CD1-CD1 4.31Å; F10-L14 HydrophobicContact CE1-CD1 4.12Å; F10-L14 PolarHBondContact O-N 2.74Å; L14-F17 PolarHBondContact O-N 2.92Å; L14-I18 HydrophobicContact CD2-CD1 4.43Å; L14-I18 WeakPolarHBondContact O-CB 3.18Å; L14-I18 WeakPolarHBondContact O-CD1 3.27Å; L14-I18 WeakPolarHBondContact O-CG1 3.42Å; L14-I18 PolarHBondContact O-N 2.92Å
15	L	51.4	Low	48.4	Very low	100 Å²	100	128 Å²	128	52%	0.524	63%	0.63	S	S	.	*	H	α-helix	trans	-68.5	-35.4	176	-83.7	156.4	0	0	0	112.5	L11 Q19	L11-L15 PolarHBondContact O-N 3.29Å; L15-Q19 WeakPolarHBondContact O-CB 3.44Å; L15-Q19 WeakPolarHBondContact O-CG 3.43Å; L15-Q19 PolarHBondContact O-N 3.43Å
16	I	49.9	Very low	48.7	Very low	87 Å²	87	127.9 Å²	127.9	45%	0.446	64%	0.635	S	S	.	*	H	α-helix	trans	-72.8	-35.8	175.3	-66.2	165	0	0	0	111	C12 S13 Q19 Q20	C12-I16 WeakPolarHBondContact O-CB 3.37Å; C12-I16 WeakPolarHBondContact O-CD1 3.18Å; C12-I16 WeakPolarHBondContact O-CG1 3.47Å; C12-I16 PolarHBondContact O-N 3.18Å; S13-I16 PolarHBondContact O-N 2.93Å; I16-Q19 PolarHBondContact O-N 2.82Å; I16-Q20 HydrophobicContact CG2-CG 4.27Å; I16-Q20 VanDerWaalsContact O-CB 3.27Å; I16-Q20 WeakPolarHBondContact O-CB 3.39Å; I16-Q20 WeakPolarHBondContact O-CG 3.33Å; I16-Q20 PolarHBondContact O-N 3.42Å
17	F	44.8	Very low	50.1	Low	148 Å²	148	123 Å²	123	65%	0.649	61%	0.614	S	S	*	*	H	α-helix	trans	-72.1	-31.8	173.9	-95.4	-83.7	0	0	0	113.2	S13 L14 R21	S13-F17 WeakPolarHBondContact O-CB 3.39Å; S13-F17 WeakPolarHBondContact O-CD2 3.37Å; S13-F17 PolarHBondContact O-N 3.46Å; L14-F17 PolarHBondContact O-N 2.92Å; F17-R21 PolarHBondContact O-N 3.49Å
18	I	46.3	Very low	51.9	Low	104 Å²	104	119.4 Å²	119.4	53%	0.533	60%	0.6	S	S	.	*	H	α-helix	trans	-74	-33	173	-66.7	165.7	0	0	0	110.9	L14	L14-I18 HydrophobicContact CD2-CD1 4.43Å; L14-I18 WeakPolarHBondContact O-CB 3.18Å; L14-I18 WeakPolarHBondContact O-CD1 3.27Å; L14-I18 WeakPolarHBondContact O-CG1 3.42Å; L14-I18 PolarHBondContact O-N 2.92Å
19	Q	40.6	Very low	53.7	Low	140 Å²	140	112 Å²	112	65%	0.654	57%	0.567	S	S	*	*	H	α-helix	trans	-79.6	-29.6	174.8	-77.3	-174.6	-13.6	0	0	114	L15 I16	L15-Q19 WeakPolarHBondContact O-CB 3.44Å; L15-Q19 WeakPolarHBondContact O-CG 3.43Å; L15-Q19 PolarHBondContact O-N 3.43Å; I16-Q19 PolarHBondContact O-N 2.82Å
20	Q	37.7	Very low	55.3	Low	135 Å²	135	108.4 Å²	108.4	63%	0.631	55%	0.546	S	S	*	.	H	α-helix	trans	-79.4	-22.8	176.7	-78.2	-176	-17.2	0	0	113.3	I16 N22	I16-Q20 HydrophobicContact CG2-CG 4.27Å; I16-Q20 VanDerWaalsContact O-CB 3.27Å; I16-Q20 WeakPolarHBondContact O-CB 3.39Å; I16-Q20 WeakPolarHBondContact O-CG 3.33Å; I16-Q20 PolarHBondContact O-N 3.42Å; Q20-N22 VanDerWaalsContact C-N 3.32Å; Q20-N22 PolarHBondContact O-N 3.25Å
21	R	37.9	Very low	56.8	Low	210 Å²	210	105 Å²	105	79%	0.792	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-16	173.5	-105.9	-177.3	174.9	178.8	-1	114.8	F17	F17-R21 PolarHBondContact O-N 3.49Å
22	N	38.6	Very low	58.2	Low	133 Å²	133	102.1 Å²	102.1	71%	0.711	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	6.9	180	-77	-6.3	0	0	0	114.5	Q20	Q20-N22 VanDerWaalsContact C-N 3.32Å; Q20-N22 PolarHBondContact O-N 3.25Å
23	K	35.2	Very low	59.7	Low	180 Å²	180	105.1 Å²	105.1	78%	0.783	54%	0.54	S	S	*	.			trans	-100	34.4	168.5	-75.8	-167.6	178.5	-175.9	0	112.7	D25	K23-D25 VanDerWaalsContact C-N 3.32Å; K23-D25 PolarHBondContact O-N 3.05Å
24	T	44.9	Very low	61.3	Low	117 Å²	117	104.5 Å²	104.5	72%	0.718	54%	0.535	S	S	*	.	S	Bend	trans	-57.3	109.6	143.7	32	0	0	0	0	105.8	A26	T24-A26 PolarHBondContact O-N 2.83Å
25	D	50.6	Low	63	Low	154 Å²	154	102.9 Å²	102.9	82%	0.824	53%	0.531	S	S	*	.			trans	-34.1	106.4	176.3	-72	-44.8	0	0	0	110	K23 Q27	K23-D25 VanDerWaalsContact C-N 3.32Å; K23-D25 PolarHBondContact O-N 3.05Å; D25-Q27 VanDerWaalsContact C-N 3.32Å; D25-Q27 PolarHBondContact O-N 2.89Å
26	A	60.4	Low	64.7	Low	90 Å²	90	98.9 Å²	98.9	74%	0.744	51%	0.51	S	S	*	.			trans	-67.1	98.7	178.5	0	0	0	0	0	106.6	T24 I28	T24-A26 PolarHBondContact O-N 2.83Å; A26-I28 PolarHBondContact O-N 2.88Å
27	Q	82.8	Confident	66.6	Low	61 Å²	61	101.7 Å²	101.7	29%	0.285	52%	0.519	S	S	.	.			trans	-48.5	104.1	176	-72.8	-179.6	-30.1	0	0	108.8	D25 F29 R30	D25-Q27 VanDerWaalsContact C-N 3.32Å; D25-Q27 PolarHBondContact O-N 2.89Å; Q27-F29 HydrophobicContact CB-CD1 3.86Å; Q27-F29 HydrophobicContact CB-CE1 3.57Å; Q27-F29 HydrophobicContact CB-CE2 4.48Å; Q27-F29 HydrophobicContact CB-CG 4.42Å; Q27-F29 HydrophobicContact CB-CZ 3.91Å; Q27-F29 VanDerWaalsContact CD-CE1 3.48Å; Q27-F29 HydrophobicContact CG-CD1 4.36Å; Q27-F29 HydrophobicContact CG-CE1 3.62Å; Q27-F29 HydrophobicContact CG-CZ 3.93Å; Q27-F29 PolarHBondContact O-N 3.29Å; Q27-F29 VanDerWaalsContact O-N 3.14Å; Q27-F29 VanDerWaalsContact OE1-CZ 3.24Å; Q27-R30 HydrophobicContact CB-CG 4.31Å; Q27-R30 PolarHBondContact O-N 2.92Å
28	I	89.9	Confident	68.9	Low	76 Å²	76	101 Å²	101	39%	0.39	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-60.2	-31.8	-173.2	-60.8	171.9	0	0	0	109.1	A26 R30 N31 V34 D42	A26-I28 PolarHBondContact O-N 2.88Å; I28-R30 PolarHBondContact O-N 2.98Å; I28-R30 VanDerWaalsContact O-N 3.08Å; I28-N31 WeakPolarHBondContact O-CB 3.46Å; I28-N31 PolarHBondContact O-N 2.92Å; I28-V34 HydrophobicContact CG2-CB 4.41Å; I28-V34 HydrophobicContact CG2-CG1 3.95Å; I28-V34 HydrophobicContact CG2-CG2 4.33Å; I28-D42 WeakPolarHBondContact CA-OD2 3.47Å; I28-D42 HydrophobicContact CB-CB 3.87Å; I28-D42 WeakPolarHBondContact CB-OD2 3.25Å; I28-D42 HydrophobicContact CG2-CB 4.36Å; I28-D42 PolarHBondContact N-OD2 3.14Å
29	F	91.9	Very high	71.1	Confident	0 Å²	0	96.3 Å²	96.3	0%	0	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	-59.7	-17	176.5	72.8	-104.6	0	0	0	115.6	Q27 R39 D42 L43 L74 L369	Q27-F29 HydrophobicContact CB-CD1 3.86Å; Q27-F29 HydrophobicContact CB-CE1 3.57Å; Q27-F29 HydrophobicContact CB-CE2 4.48Å; Q27-F29 HydrophobicContact CB-CG 4.42Å; Q27-F29 HydrophobicContact CB-CZ 3.91Å; Q27-F29 VanDerWaalsContact CD-CE1 3.48Å; Q27-F29 HydrophobicContact CG-CD1 4.36Å; Q27-F29 HydrophobicContact CG-CE1 3.62Å; Q27-F29 HydrophobicContact CG-CZ 3.93Å; Q27-F29 PolarHBondContact O-N 3.29Å; Q27-F29 VanDerWaalsContact O-N 3.14Å; Q27-F29 VanDerWaalsContact OE1-CZ 3.24Å; F29-R39 HydrophobicContact CB-CB 4.45Å; F29-R39 WeakPolarHBondContact CB-O 3.47Å; F29-R39 PolarHBondContact O-NE 3.42Å; F29-R39 PolarHBondContact O-NH2 2.88Å; F29-D42 HydrophobicContact CB-CB 4.46Å; F29-D42 VanDerWaalsContact CD1-OD2 3.24Å; F29-D42 WeakPolarHBondContact CD1-OD2 3.32Å; F29-D42 PolarHBondContact N-OD2 3.08Å; F29-L43 HydrophobicContact CB-CB 3.71Å; F29-L43 HydrophobicContact CD1-CB 4.18Å; F29-L43 HydrophobicContact CD1-CD1 4.08Å; F29-L43 HydrophobicContact CD2-CD1 4.23Å; F29-L43 HydrophobicContact CE1-CD1 4.13Å; F29-L43 HydrophobicContact CE2-CD1 4.26Å; F29-L43 HydrophobicContact CG-CB 3.98Å; F29-L43 HydrophobicContact CG-CD1 4.15Å; F29-L43 HydrophobicContact CZ-CD1 4.22Å; F29-L74 HydrophobicContact CE1-CD2 4.49Å; F29-L74 HydrophobicContact CZ-CB 4.4Å; F29-L369 HydrophobicContact CD2-CD1 3.88Å; F29-L369 HydrophobicContact CE2-CD1 4.38Å
30	R	89.6	Confident	73.6	Confident	75 Å²	75	90 Å²	90	28%	0.283	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-96.8	-10.3	173.1	-60.6	-169.8	179.3	-84	2.1	113.8	Q27 I28 L32 L74 K75 L369	Q27-R30 HydrophobicContact CB-CG 4.31Å; Q27-R30 PolarHBondContact O-N 2.92Å; I28-R30 PolarHBondContact O-N 2.98Å; I28-R30 VanDerWaalsContact O-N 3.08Å; R30-L32 PolarHBondContact O-N 2.96Å; R30-L74 PolarHBondContact NH2-O 3.3Å; R30-K75 PolarHBondContact NH2-O 3.2Å; R30-L369 PolarHBondContact NH1-O 3.33Å
31	N	88.2	Confident	76.3	Confident	73 Å²	73	86.4 Å²	86.4	39%	0.39	45%	0.448	S	S	.	.			trans	-80	107.5	-178.5	-173.3	-11.6	0	0	0	111	I28 S33 V34 R39	I28-N31 WeakPolarHBondContact O-CB 3.46Å; I28-N31 PolarHBondContact O-N 2.92Å; N31-S33 PolarHBondContact O-N 3.33Å; N31-S33 VanDerWaalsContact OD1-CB 3.32Å; N31-S33 WeakPolarHBondContact OD1-CB 3.43Å; N31-S33 PolarHBondContact OD1-N 3.31Å; N31-V34 HydrophobicContact CB-CB 4.5Å; N31-V34 HydrophobicContact CB-CG2 4.13Å; N31-V34 PolarHBondContact O-N 2.88Å; N31-R39 WeakPolarHBondContact O-CD 3.39Å
32	L	83.6	Confident	79.1	Confident	61 Å²	61	78.1 Å²	78.1	32%	0.319	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-18.1	-180	-56.6	-178.8	0	0	0	113.9	R30 V34 R39 N370 M374	R30-L32 PolarHBondContact O-N 2.96Å; L32-V34 PolarHBondContact O-N 2.78Å; L32-R39 VanDerWaalsContact CD2-NH1 3.3Å; L32-N370 HydrophobicContact CD2-CB 4.42Å; L32-N370 VanDerWaalsContact CD2-OD1 3.25Å; L32-N370 WeakPolarHBondContact CD2-OD1 3.42Å; L32-M374 HydrophobicContact CD1-CB 3.61Å; L32-M374 HydrophobicContact CD1-CE 3.66Å; L32-M374 HydrophobicContact CD1-CG 3.59Å; L32-M374 HydrophobicContact CD1-SD 4.36Å
33	S	84.7	Confident	81.9	Confident	119 Å²	119	71.8 Å²	71.8	83%	0.832	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-5.4	174.5	-51.1	0	0	0	0	112.8	N31	N31-S33 PolarHBondContact O-N 3.33Å; N31-S33 VanDerWaalsContact OD1-CB 3.32Å; N31-S33 WeakPolarHBondContact OD1-CB 3.43Å; N31-S33 PolarHBondContact OD1-N 3.31Å
34	V	86.6	Confident	84.9	Confident	35 Å²	35	63.5 Å²	63.5	21%	0.212	35%	0.349	C	S	.	.	S	Bend	trans	-107.1	144.7	-179.4	176.3	0	0	0	0	109.8	I28 N31 L32 K38 R39	I28-V34 HydrophobicContact CG2-CB 4.41Å; I28-V34 HydrophobicContact CG2-CG1 3.95Å; I28-V34 HydrophobicContact CG2-CG2 4.33Å; N31-V34 HydrophobicContact CB-CB 4.5Å; N31-V34 HydrophobicContact CB-CG2 4.13Å; N31-V34 PolarHBondContact O-N 2.88Å; L32-V34 PolarHBondContact O-N 2.78Å; V34-K38 HydrophobicContact CG1-CB 3.26Å; V34-K38 HydrophobicContact CG1-CD 3.68Å; V34-K38 HydrophobicContact CG1-CG 4.12Å; V34-R39 HydrophobicContact CB-CG 4.41Å; V34-R39 HydrophobicContact CG1-CG 4.43Å
35	S	87.9	Confident	87.3	Confident	63 Å²	63	61.9 Å²	61.9	44%	0.441	34%	0.343	S	S	.	.			trans	-58.9	147.9	-179.4	65.9	0	0	0	0	112.4	K37 K38 R39	S35-K37 PolarHBondContact O-N 3.42Å; S35-K37 VanDerWaalsContact O-N 3.12Å; S35-K38 PolarHBondContact O-N 3.26Å; S35-K38 PolarHBondContact OG-N 2.7Å; S35-R39 PolarHBondContact O-N 3.3Å
36	I	87.6	Confident	89.5	Confident	15 Å²	15	56.3 Å²	56.3	8%	0.077	32%	0.316	C	S	.	.	H	α-helix	trans	-48.2	-43	174.4	-72.4	-174.5	0	0	0	111.3	K38 R39 L40 H202 L361 I364 L365	I36-K38 PolarHBondContact O-N 3.14Å; I36-R39 PolarHBondContact O-N 3.04Å; I36-L40 VanDerWaalsContact O-CB 3.26Å; I36-L40 WeakPolarHBondContact O-CB 3.44Å; I36-L40 PolarHBondContact O-N 3.09Å; I36-H202 HydrophobicContact CD1-CB 4.16Å; I36-H202 WeakPolarHBondContact CD1-CD2 3.29Å; I36-L361 HydrophobicContact CG2-CD1 3.52Å; I36-I364 HydrophobicContact CD1-CG2 4.42Å; I36-I364 HydrophobicContact CG1-CG2 4.2Å; I36-I364 HydrophobicContact CG2-CG2 4.31Å; I36-L365 HydrophobicContact CD1-CD2 3.51Å; I36-L365 HydrophobicContact CD1-CG 4.45Å
37	K	89.5	Confident	91.3	Very high	147 Å²	147	52.2 Å²	52.2	64%	0.639	28%	0.281	S	S	*	.	H	α-helix	trans	-54.6	-51.7	178.6	-178.6	179.7	176.2	-177.8	0	111.9	S35 L40 D41	S35-K37 PolarHBondContact O-N 3.42Å; S35-K37 VanDerWaalsContact O-N 3.12Å; K37-L40 PolarHBondContact O-N 2.79Å; K37-D41 PolarHBondContact O-N 2.99Å
38	K	92.3	Very high	92	Very high	133 Å²	133	51.9 Å²	51.9	58%	0.578	28%	0.283	S	S	*	.	H	α-helix	trans	-67.8	-37.8	-179.6	-79.8	179.9	175.3	-175.4	0	112.1	V34 S35 I36 L40 D41 D42	V34-K38 HydrophobicContact CG1-CB 3.26Å; V34-K38 HydrophobicContact CG1-CD 3.68Å; V34-K38 HydrophobicContact CG1-CG 4.12Å; S35-K38 PolarHBondContact O-N 3.26Å; S35-K38 PolarHBondContact OG-N 2.7Å; I36-K38 PolarHBondContact O-N 3.14Å; K38-L40 VanDerWaalsContact C-N 3.31Å; K38-D41 PolarHBondContact O-N 3.21Å; K38-D42 WeakPolarHBondContact O-CB 3.44Å; K38-D42 PolarHBondContact O-N 3.41Å
39	R	91.8	Very high	92.4	Very high	5 Å²	5	48.9 Å²	48.9	2%	0.019	27%	0.268	C	S	.	.	H	α-helix	trans	-59.3	-45.8	173.5	-69.1	175.4	64.9	-172.9	4	110.8	F29 N31 L32 V34 S35 I36 L43 I364 N370	F29-R39 HydrophobicContact CB-CB 4.45Å; F29-R39 WeakPolarHBondContact CB-O 3.47Å; F29-R39 PolarHBondContact O-NE 3.42Å; F29-R39 PolarHBondContact O-NH2 2.88Å; N31-R39 WeakPolarHBondContact O-CD 3.39Å; L32-R39 VanDerWaalsContact CD2-NH1 3.3Å; V34-R39 HydrophobicContact CB-CG 4.41Å; V34-R39 HydrophobicContact CG1-CG 4.43Å; S35-R39 PolarHBondContact O-N 3.3Å; I36-R39 PolarHBondContact O-N 3.04Å; R39-L43 WeakPolarHBondContact O-CB 3.05Å; R39-L43 PolarHBondContact O-N 2.86Å; R39-I364 HydrophobicContact CB-CD1 4.4Å; R39-N370 PolarHBondContact NH2-OD1 3.47Å
40	L	92.8	Very high	92.7	Very high	9 Å²	9	53.8 Å²	53.8	5%	0.047	29%	0.291	C	S	.	.	H	α-helix	trans	-67.3	-43.1	179	-173.9	58.8	0	0	0	111.6	I36 K37 K38 D42 L43 I44 R357 F360 L361 I364	I36-L40 VanDerWaalsContact O-CB 3.26Å; I36-L40 WeakPolarHBondContact O-CB 3.44Å; I36-L40 PolarHBondContact O-N 3.09Å; K37-L40 PolarHBondContact O-N 2.79Å; K38-L40 VanDerWaalsContact C-N 3.31Å; L40-D42 PolarHBondContact O-N 3.33Å; L40-L43 PolarHBondContact O-N 2.87Å; L40-I44 HydrophobicContact CD1-CD1 4.26Å; L40-I44 HydrophobicContact CD1-CG1 3.99Å; L40-I44 HydrophobicContact CG-CG1 4.33Å; L40-I44 WeakPolarHBondContact O-CB 3.5Å; L40-I44 VanDerWaalsContact O-CG1 3.28Å; L40-I44 WeakPolarHBondContact O-CG1 3.49Å; L40-I44 PolarHBondContact O-N 2.92Å; L40-R357 HydrophobicContact CD1-CG 4.22Å; L40-R357 HydrophobicContact CD2-CG 3.49Å; L40-R357 VanDerWaalsContact CD2-CG 3.49Å; L40-R357 HydrophobicContact CG-CG 3.86Å; L40-F360 HydrophobicContact CD1-CB 3.73Å; L40-L361 HydrophobicContact CD2-CB 4.01Å; L40-L361 HydrophobicContact CD2-CD1 4.33Å; L40-I364 HydrophobicContact CB-CD1 4.17Å; L40-I364 HydrophobicContact CD1-CD1 4.1Å
41	D	95.6	Very high	93.1	Very high	59 Å²	59	51.7 Å²	51.7	32%	0.316	29%	0.285	S	S	.	.	H	α-helix	trans	-57.1	-48.2	176.3	-66	-20	0	0	0	111.7	K37 K38 I44 S45 R357	K37-D41 PolarHBondContact O-N 2.99Å; K38-D41 PolarHBondContact O-N 3.21Å; D41-I44 PolarHBondContact O-N 3.22Å; D41-S45 WeakPolarHBondContact O-CB 3.24Å; D41-S45 PolarHBondContact O-N 3.03Å; D41-S45 PolarHBondContact O-OG 2.85Å; D41-R357 IonicContact OD1-CZ 2.6Å; D41-R357 IonicContact OD1-NH1 2.76Å; D41-R357 PolarHBondContact OD1-NH1 2.81Å; D41-R357 IonicContact OD1-NH2 2.68Å; D41-R357 PolarHBondContact OD1-NH2 2.59Å
42	D	96.9	Very high	93.6	Very high	35 Å²	35	48.2 Å²	48.2	19%	0.187	27%	0.266	C	S	.	.	H	α-helix	trans	-61	-46.6	177.1	-179.5	69.4	0	0	0	112	I28 F29 K38 L40 S45 S46	I28-D42 WeakPolarHBondContact CA-OD2 3.47Å; I28-D42 HydrophobicContact CB-CB 3.87Å; I28-D42 WeakPolarHBondContact CB-OD2 3.25Å; I28-D42 HydrophobicContact CG2-CB 4.36Å; I28-D42 PolarHBondContact N-OD2 3.14Å; F29-D42 HydrophobicContact CB-CB 4.46Å; F29-D42 VanDerWaalsContact CD1-OD2 3.24Å; F29-D42 WeakPolarHBondContact CD1-OD2 3.32Å; F29-D42 PolarHBondContact N-OD2 3.08Å; K38-D42 WeakPolarHBondContact O-CB 3.44Å; K38-D42 PolarHBondContact O-N 3.41Å; L40-D42 PolarHBondContact O-N 3.33Å; D42-S45 PolarHBondContact O-N 2.95Å; D42-S45 PolarHBondContact O-OG 3.05Å; D42-S46 WeakPolarHBondContact O-CB 3.08Å; D42-S46 PolarHBondContact O-N 3.2Å; D42-S46 VanDerWaalsContact O-N 3.09Å; D42-S46 PolarHBondContact O-OG 2.9Å
43	L	96.5	Very high	94.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.9	-50.8	178.1	-180	53	0	0	0	111.8	F29 R39 L40 S45 S46 L47 L74 I76 F360 I364 L369	F29-L43 HydrophobicContact CB-CB 3.71Å; F29-L43 HydrophobicContact CD1-CB 4.18Å; F29-L43 HydrophobicContact CD1-CD1 4.08Å; F29-L43 HydrophobicContact CD2-CD1 4.23Å; F29-L43 HydrophobicContact CE1-CD1 4.13Å; F29-L43 HydrophobicContact CE2-CD1 4.26Å; F29-L43 HydrophobicContact CG-CB 3.98Å; F29-L43 HydrophobicContact CG-CD1 4.15Å; F29-L43 HydrophobicContact CZ-CD1 4.22Å; R39-L43 WeakPolarHBondContact O-CB 3.05Å; R39-L43 PolarHBondContact O-N 2.86Å; L40-L43 PolarHBondContact O-N 2.87Å; L43-S45 VanDerWaalsContact C-N 3.28Å; L43-S45 PolarHBondContact O-N 2.89Å; L43-S46 WeakPolarHBondContact O-CB 3.45Å; L43-S46 PolarHBondContact O-N 3.37Å; L43-L47 WeakPolarHBondContact O-CG 3.47Å; L43-L47 PolarHBondContact O-N 3Å; L43-L74 HydrophobicContact CD1-CD1 4.22Å; L43-I76 HydrophobicContact CD1-CD1 3.75Å; L43-F360 HydrophobicContact CD2-CB 3.94Å; L43-F360 HydrophobicContact CD2-CD1 3.53Å; L43-F360 HydrophobicContact CD2-CE1 4.2Å; L43-F360 HydrophobicContact CD2-CG 3.86Å; L43-F360 HydrophobicContact CG-CD1 4.3Å; L43-F360 HydrophobicContact CG-CG 4.43Å; L43-I364 HydrophobicContact CD2-CD1 4.41Å; L43-L369 HydrophobicContact CD2-CD1 3.61Å
44	I	97.8	Very high	94.8	Very high	6 Å²	6	43 Å²	43	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-35.4	-178.6	-63.9	-48.3	0	0	0	111.7	L40 D41 S46 L47 R353 V356 R357 F360	L40-I44 HydrophobicContact CD1-CD1 4.26Å; L40-I44 HydrophobicContact CD1-CG1 3.99Å; L40-I44 HydrophobicContact CG-CG1 4.33Å; L40-I44 WeakPolarHBondContact O-CB 3.5Å; L40-I44 VanDerWaalsContact O-CG1 3.28Å; L40-I44 WeakPolarHBondContact O-CG1 3.49Å; L40-I44 PolarHBondContact O-N 2.92Å; D41-I44 PolarHBondContact O-N 3.22Å; I44-S46 VanDerWaalsContact C-N 3.28Å; I44-S46 PolarHBondContact O-N 3.49Å; I44-L47 HydrophobicContact CD1-CD1 3.91Å; I44-R353 HydrophobicContact CG2-CB 3.82Å; I44-R353 HydrophobicContact CG2-CG 4.11Å; I44-R353 PolarHBondContact O-NH1 2.84Å; I44-V356 HydrophobicContact CD1-CG1 3.8Å; I44-R357 HydrophobicContact CG1-CB 4.31Å; I44-R357 HydrophobicContact CG1-CG 4.5Å; I44-F360 HydrophobicContact CD1-CB 4.21Å; I44-F360 HydrophobicContact CD1-CD2 3.74Å; I44-F360 HydrophobicContact CD1-CG 4.28Å
45	S	96.9	Very high	95.4	Very high	83 Å²	83	41.5 Å²	41.5	58%	0.58	22%	0.22	S	C	*	.	H	α-helix	trans	-69.6	-24.2	174.1	70.8	0	0	0	0	113.9	D41 D42 L43	D41-S45 WeakPolarHBondContact O-CB 3.24Å; D41-S45 PolarHBondContact O-N 3.03Å; D41-S45 PolarHBondContact O-OG 2.85Å; D42-S45 PolarHBondContact O-N 2.95Å; D42-S45 PolarHBondContact O-OG 3.05Å; L43-S45 VanDerWaalsContact C-N 3.28Å; L43-S45 PolarHBondContact O-N 2.89Å
46	S	96.6	Very high	95.8	Very high	37 Å²	37	38.5 Å²	38.5	26%	0.259	20%	0.199	S	C	.	.	H	α-helix	trans	-84.8	-14.1	-177.6	-63.8	0	0	0	0	114	D42 L43 I44 R73	D42-S46 WeakPolarHBondContact O-CB 3.08Å; D42-S46 PolarHBondContact O-N 3.2Å; D42-S46 VanDerWaalsContact O-N 3.09Å; D42-S46 PolarHBondContact O-OG 2.9Å; L43-S46 WeakPolarHBondContact O-CB 3.45Å; L43-S46 PolarHBondContact O-N 3.37Å; I44-S46 VanDerWaalsContact C-N 3.28Å; I44-S46 PolarHBondContact O-N 3.49Å; S46-R73 PolarHBondContact O-NH1 3.13Å; S46-R73 PolarHBondContact O-NH2 3.37Å
47	L	97.9	Very high	96.2	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.021	20%	0.195	C	C	.	.			trans	-83.1	138.9	-178.7	-65	166.9	0	0	0	111.7	L43 I44 E51 I52 I71 L74 R353 F360	L43-L47 WeakPolarHBondContact O-CG 3.47Å; L43-L47 PolarHBondContact O-N 3Å; I44-L47 HydrophobicContact CD1-CD1 3.91Å; L47-E51 WeakPolarHBondContact CA-OE2 3.43Å; L47-E51 HydrophobicContact CD2-CB 4.31Å; L47-I52 HydrophobicContact CB-CD1 4.07Å; L47-I52 HydrophobicContact CB-CG1 3.78Å; L47-I52 HydrophobicContact CD1-CG1 4.07Å; L47-I71 HydrophobicContact CD2-CD1 3.44Å; L47-I71 VanDerWaalsContact CD2-CD1 3.44Å; L47-L74 HydrophobicContact CD2-CD1 3.67Å; L47-L74 HydrophobicContact CG-CD1 4.41Å; L47-R353 PolarHBondContact O-NH1 3.34Å; L47-F360 HydrophobicContact CD1-CD2 3.87Å; L47-F360 HydrophobicContact CD1-CE2 3.31Å; L47-F360 HydrophobicContact CD1-CZ 3.79Å; L47-F360 HydrophobicContact CD2-CE2 4.47Å; L47-F360 HydrophobicContact CD2-CZ 4.14Å
48	T	98.1	Very high	96.3	Very high	54 Å²	54	33.5 Å²	33.5	33%	0.331	18%	0.179	S	C	.	.			trans	-76.7	163.5	166	83.4	0	0	0	0	110.7	E50 E51 I52	T48-E50 VanDerWaalsContact C-N 3.31Å; T48-E50 WeakPolarHBondContact CB-OE2 3.47Å; T48-E50 PolarHBondContact O-N 3.31Å; T48-E50 PolarHBondContact OG1-N 3.37Å; T48-E50 PolarHBondContact OG1-OE2 3.46Å; T48-E51 PolarHBondContact N-OE2 3.44Å; T48-E51 PolarHBondContact O-N 2.85Å; T48-E51 WeakPolarHBondContact OG1-CG 3.26Å; T48-E51 PolarHBondContact OG1-N 3.45Å; T48-E51 VanDerWaalsContact OG1-N 3.17Å; T48-I52 VanDerWaalsContact O-CG1 3.31Å; T48-I52 WeakPolarHBondContact O-CG1 3.28Å; T48-I52 PolarHBondContact O-N 3.09Å
49	I	97.9	Very high	96.1	Very high	13 Å²	13	27.1 Å²	27.1	7%	0.067	15%	0.152	C	C	.	.	H	α-helix	trans	-67.3	-35.9	178.4	-61	-56.5	0	0	0	111.4	I52 V53 L339 T342 E349 L352	I49-I52 HydrophobicContact CD1-CD1 4.27Å; I49-I52 WeakPolarHBondContact O-CB 3.45Å; I49-I52 PolarHBondContact O-N 2.99Å; I49-V53 HydrophobicContact CG2-CG2 4.39Å; I49-V53 WeakPolarHBondContact O-CG2 3.25Å; I49-V53 PolarHBondContact O-N 3.12Å; I49-L339 HydrophobicContact CG2-CD2 4.1Å; I49-T342 HydrophobicContact CG2-CG2 4.3Å; I49-E349 HydrophobicContact CD1-CB 3.7Å; I49-E349 HydrophobicContact CD1-CG 3.63Å; I49-E349 HydrophobicContact CG1-CB 4.36Å; I49-E349 VanDerWaalsContact CG1-CD 3.49Å; I49-E349 HydrophobicContact CG1-CG 3.72Å; I49-L352 HydrophobicContact CG2-CD1 3.86Å
50	E	97.8	Very high	95.9	Very high	104 Å²	104	27 Å²	27	49%	0.486	15%	0.151	S	C	.	.	H	α-helix	trans	-61.1	-47.8	173.5	-59	77.4	-171.6	0	0	111	T48 I52 V53 D54 L339	T48-E50 VanDerWaalsContact C-N 3.31Å; T48-E50 WeakPolarHBondContact CB-OE2 3.47Å; T48-E50 PolarHBondContact O-N 3.31Å; T48-E50 PolarHBondContact OG1-N 3.37Å; T48-E50 PolarHBondContact OG1-OE2 3.46Å; E50-I52 VanDerWaalsContact C-N 3.27Å; E50-I52 PolarHBondContact O-N 3.06Å; E50-V53 PolarHBondContact O-N 3.03Å; E50-D54 WeakPolarHBondContact O-CB 3.38Å; E50-D54 PolarHBondContact O-N 2.94Å; E50-L339 HydrophobicContact CG-CD2 4.21Å
51	E	97.9	Very high	95.9	Very high	31 Å²	31	27.1 Å²	27.1	15%	0.145	15%	0.154	C	C	.	.	H	α-helix	trans	-58.8	-40.6	175.5	-71.4	169	167	0	0	111	L47 T48 Q55 I71 R73	L47-E51 WeakPolarHBondContact CA-OE2 3.43Å; L47-E51 HydrophobicContact CD2-CB 4.31Å; T48-E51 PolarHBondContact N-OE2 3.44Å; T48-E51 PolarHBondContact O-N 2.85Å; T48-E51 WeakPolarHBondContact OG1-CG 3.26Å; T48-E51 PolarHBondContact OG1-N 3.45Å; T48-E51 VanDerWaalsContact OG1-N 3.17Å; E51-Q55 WeakPolarHBondContact O-CG 3.47Å; E51-Q55 PolarHBondContact O-N 2.83Å; E51-Q55 VanDerWaalsContact O-N 3.13Å; E51-I71 HydrophobicContact CB-CD1 4.24Å; E51-I71 HydrophobicContact CG-CG2 4.11Å; E51-I71 VanDerWaalsContact OE1-CG2 3.25Å; E51-I71 WeakPolarHBondContact OE1-CG2 3.19Å; E51-R73 VanDerWaalsContact CD-NH2 3.34Å; E51-R73 IonicContact OE1-CZ 3.62Å; E51-R73 IonicContact OE1-NE 3.33Å; E51-R73 PolarHBondContact OE1-NE 2.65Å; E51-R73 IonicContact OE1-NH2 3.03Å; E51-R73 PolarHBondContact OE1-NH2 3.38Å; E51-R73 IonicContact OE2-CZ 3.96Å; E51-R73 IonicContact OE2-NH2 2.79Å; E51-R73 PolarHBondContact OE2-NH2 3.29Å
52	I	98.3	Very high	95.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.6	-51.4	176.9	-72.3	174.1	0	0	0	111.7	L47 T48 I49 E50 D54 Q55 M56 L352 R353 V356	L47-I52 HydrophobicContact CB-CD1 4.07Å; L47-I52 HydrophobicContact CB-CG1 3.78Å; L47-I52 HydrophobicContact CD1-CG1 4.07Å; T48-I52 VanDerWaalsContact O-CG1 3.31Å; T48-I52 WeakPolarHBondContact O-CG1 3.28Å; T48-I52 PolarHBondContact O-N 3.09Å; I49-I52 HydrophobicContact CD1-CD1 4.27Å; I49-I52 WeakPolarHBondContact O-CB 3.45Å; I49-I52 PolarHBondContact O-N 2.99Å; E50-I52 VanDerWaalsContact C-N 3.27Å; E50-I52 PolarHBondContact O-N 3.06Å; I52-D54 VanDerWaalsContact C-N 3.27Å; I52-D54 PolarHBondContact O-N 3.31Å; I52-Q55 PolarHBondContact O-N 3.26Å; I52-M56 HydrophobicContact CG2-SD 3.77Å; I52-M56 WeakPolarHBondContact O-CG 3.41Å; I52-M56 PolarHBondContact O-N 3Å; I52-L352 HydrophobicContact CG2-CB 3.96Å; I52-R353 HydrophobicContact CD1-CG 3.63Å; I52-V356 HydrophobicContact CD1-CG1 4.16Å; I52-V356 HydrophobicContact CG1-CG1 4.02Å; I52-V356 HydrophobicContact CG2-CB 3.8Å; I52-V356 HydrophobicContact CG2-CG1 3.94Å; I52-V356 HydrophobicContact CG2-CG2 4.12Å
53	V	98.1	Very high	95.3	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.024	17%	0.173	C	C	.	.	H	α-helix	trans	-60	-42	179.3	169.9	0	0	0	0	110.2	I49 E50 Q55 M56 A57 L338 L339 L352	I49-V53 HydrophobicContact CG2-CG2 4.39Å; I49-V53 WeakPolarHBondContact O-CG2 3.25Å; I49-V53 PolarHBondContact O-N 3.12Å; E50-V53 PolarHBondContact O-N 3.03Å; V53-Q55 VanDerWaalsContact C-N 3.32Å; V53-Q55 PolarHBondContact O-N 3.4Å; V53-M56 PolarHBondContact O-N 3.49Å; V53-M56 VanDerWaalsContact O-N 3.13Å; V53-A57 HydrophobicContact CG1-CB 4.34Å; V53-A57 WeakPolarHBondContact O-CB 3.44Å; V53-A57 PolarHBondContact O-N 2.71Å; V53-L338 HydrophobicContact CB-CB 4.46Å; V53-L338 HydrophobicContact CG1-CB 3.9Å; V53-L338 HydrophobicContact CG1-CD1 4.44Å; V53-L338 HydrophobicContact CG2-CB 3.73Å; V53-L338 HydrophobicContact CG2-CD1 4.47Å; V53-L339 HydrophobicContact CB-CD2 4.32Å; V53-L339 HydrophobicContact CB-CG 4.17Å; V53-L339 HydrophobicContact CG1-CG 4.07Å; V53-L339 HydrophobicContact CG2-CD2 3.93Å; V53-L339 HydrophobicContact CG2-CG 4.04Å; V53-L352 HydrophobicContact CG2-CD1 3.91Å
54	D	96.9	Very high	94.9	Very high	65 Å²	65	31.7 Å²	31.7	35%	0.348	19%	0.192	S	C	.	.	H	α-helix	trans	-60	-40.1	177.5	-83.6	-19	0	0	0	112.7	E50 I52 M56 N58 P69	E50-D54 WeakPolarHBondContact O-CB 3.38Å; E50-D54 PolarHBondContact O-N 2.94Å; I52-D54 VanDerWaalsContact C-N 3.27Å; I52-D54 PolarHBondContact O-N 3.31Å; D54-M56 VanDerWaalsContact C-N 3.33Å; D54-M56 PolarHBondContact O-N 2.87Å; D54-N58 VanDerWaalsContact O-CB 3.3Å; D54-N58 WeakPolarHBondContact O-CB 3.31Å; D54-N58 PolarHBondContact O-N 2.9Å; D54-N58 PolarHBondContact OD1-ND2 2.92Å; D54-P69 HydrophobicContact CB-CG 3.74Å
55	Q	97.5	Very high	94.5	Very high	4 Å²	4	33 Å²	33	2%	0.019	20%	0.197	C	C	.	.	H	α-helix	trans	-66.1	-35.2	176	-65.7	-50.9	-75.4	0	0	112.8	E51 I52 V53 P69 I71 V356 F360	E51-Q55 WeakPolarHBondContact O-CG 3.47Å; E51-Q55 PolarHBondContact O-N 2.83Å; E51-Q55 VanDerWaalsContact O-N 3.13Å; I52-Q55 PolarHBondContact O-N 3.26Å; V53-Q55 VanDerWaalsContact C-N 3.32Å; V53-Q55 PolarHBondContact O-N 3.4Å; Q55-P69 PolarHBondContact NE2-O 3.13Å; Q55-I71 HydrophobicContact CG-CD1 4.38Å; Q55-V356 HydrophobicContact CB-CG2 4.25Å; Q55-F360 HydrophobicContact CG-CE2 4.05Å; Q55-F360 HydrophobicContact CG-CZ 3.79Å
56	M	97.8	Very high	94	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-82.4	-35.4	-177.5	-63.4	170.3	55.9	0	0	112.8	I52 V53 D54 N323 I324 E325 Y335 L338 L352 L355 V356 L359	I52-M56 HydrophobicContact CG2-SD 3.77Å; I52-M56 WeakPolarHBondContact O-CG 3.41Å; I52-M56 PolarHBondContact O-N 3Å; V53-M56 PolarHBondContact O-N 3.49Å; V53-M56 VanDerWaalsContact O-N 3.13Å; D54-M56 VanDerWaalsContact C-N 3.33Å; D54-M56 PolarHBondContact O-N 2.87Å; M56-N323 WeakPolarHBondContact CG-O 3.43Å; M56-I324 WeakPolarHBondContact O-CG1 3.35Å; M56-E325 PolarHBondContact O-N 2.68Å; M56-Y335 HydrophobicContact CB-CD2 4.08Å; M56-Y335 HydrophobicContact CE-CD2 4.45Å; M56-Y335 HydrophobicContact CE-CE2 4.15Å; M56-Y335 WeakPolarHBondContact O-CD2 3.3Å; M56-L338 HydrophobicContact CB-CD1 4.43Å; M56-L338 HydrophobicContact CE-CD1 3.75Å; M56-L338 HydrophobicContact SD-CD1 4.46Å; M56-L352 HydrophobicContact CE-CD2 4.12Å; M56-L352 HydrophobicContact SD-CD2 4.26Å; M56-L355 HydrophobicContact CE-CB 4.19Å; M56-L355 HydrophobicContact CE-CD2 3.37Å; M56-L355 HydrophobicContact CE-CG 3.82Å; M56-V356 HydrophobicContact CG-CB 4.29Å; M56-V356 HydrophobicContact CG-CG2 4.06Å; M56-V356 HydrophobicContact SD-CB 4.13Å; M56-V356 HydrophobicContact SD-CG2 4.48Å; M56-L359 HydrophobicContact CG-CD1 4.15Å
57	A	96	Very high	93.9	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.008	17%	0.172	C	C	.	.	H	α-helix	trans	-91.3	-36.4	-172.7	0	0	0	0	0	112.5	V53 A61 N333	V53-A57 HydrophobicContact CG1-CB 4.34Å; V53-A57 WeakPolarHBondContact O-CB 3.44Å; V53-A57 PolarHBondContact O-N 2.71Å; A57-A61 VanDerWaalsContact O-CB 3.29Å; A57-A61 WeakPolarHBondContact O-CB 3.2Å; A57-N333 PolarHBondContact O-ND2 2.78Å
58	N	92.1	Very high	93.8	Very high	56 Å²	56	29.3 Å²	29.3	30%	0.299	17%	0.171	S	C	.	.	S	Bend	trans	-103	-3.9	-171.3	-57.7	-40	0	0	0	113	D54 G60 G66 P67	D54-N58 VanDerWaalsContact O-CB 3.3Å; D54-N58 WeakPolarHBondContact O-CB 3.31Å; D54-N58 PolarHBondContact O-N 2.9Å; D54-N58 PolarHBondContact OD1-ND2 2.92Å; N58-G60 PolarHBondContact O-N 3.09Å; N58-G66 VanDerWaalsContact O-CA 3.25Å; N58-G66 WeakPolarHBondContact O-CA 3.39Å; N58-P67 CarbonylContact O-C 3.15Å
59	G	86.7	Confident	93.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-16.9	179.9	0	0	0	0	0	115.7
60	G	89	Confident	93.6	Very high	1 Å²	1	30 Å²	30	1%	0.01	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.3	30.7	176.9	0	0	0	0	0	112.8	N58 A327	N58-G60 PolarHBondContact O-N 3.09Å; G60-A327 PolarHBondContact O-N 3.28Å
61	A	92.3	Very high	93.6	Very high	12 Å²	12	25.2 Å²	25.2	10%	0.099	16%	0.159	C	C	.	.			trans	-124.8	163.6	-173.4	0	0	0	0	0	114.3	A57 G66 A327 N333	A57-A61 VanDerWaalsContact O-CB 3.29Å; A57-A61 WeakPolarHBondContact O-CB 3.2Å; A61-G66 PolarHBondContact O-N 3.17Å; A61-A327 HydrophobicContact CB-CB 3.79Å; A61-N333 HydrophobicContact CB-CB 3.94Å
62	G	90.8	Very high	93.5	Very high	23 Å²	23	28.9 Å²	28.9	24%	0.237	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	179.5	-178.8	0	0	0	0	0	113.8	T64 Y65 P329	G62-T64 PolarHBondContact O-N 2.96Å; G62-Y65 PolarHBondContact O-N 3.17Å; G62-P329 CarbonylContact C-O 3.5Å; G62-P329 WeakPolarHBondContact CA-O 3.42Å; G62-P329 VanDerWaalsContact O-CA 3.25Å; G62-P329 WeakPolarHBondContact O-CA 3.27Å; G62-P329 WeakPolarHBondContact O-CB 3.44Å
63	P	88.2	Confident	93.4	Very high	104 Å²	104	35.4 Å²	35.4	68%	0.675	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-12.9	-167.6	25	-35.5	0	0	0	114.5
64	T	87.8	Confident	93.2	Very high	64 Å²	64	35.4 Å²	35.4	39%	0.393	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119	15	177.4	54.2	0	0	0	0	113.3	G62 G66 D134	G62-T64 PolarHBondContact O-N 2.96Å; T64-G66 PolarHBondContact O-N 2.99Å; T64-G66 PolarHBondContact OG1-O 3.47Å; T64-D134 WeakPolarHBondContact O-CB 3.49Å; T64-D134 PolarHBondContact O-N 3.32Å
65	Y	90	Very high	93	Very high	32 Å²	32	40.3 Å²	40.3	13%	0.125	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	56.2	179	-57.5	-87.3	0	0	0	112.6	G62 Q80 D134 E294 A327 P329	G62-Y65 PolarHBondContact O-N 3.17Å; Y65-Q80 PolarHBondContact O-NE2 3.45Å; Y65-Q80 PolarHBondContact O-OE1 3.17Å; Y65-D134 HydrophobicContact CD2-CB 4.35Å; Y65-E294 VanDerWaalsContact CE1-CD 3.46Å; Y65-E294 HydrophobicContact CE1-CG 3.94Å; Y65-E294 WeakPolarHBondContact CE1-OE1 3.4Å; Y65-E294 VanDerWaalsContact CZ-OE1 3.24Å; Y65-E294 PolarHBondContact OH-OE1 3.03Å; Y65-A327 WeakPolarHBondContact CD1-O 3.33Å; Y65-A327 WeakPolarHBondContact CE1-O 3.46Å; Y65-P329 HydrophobicContact CE1-CB 4.02Å; Y65-P329 HydrophobicContact CE1-CG 4.1Å; Y65-P329 HydrophobicContact CE2-CB 4Å; Y65-P329 HydrophobicContact CE2-CG 4.26Å; Y65-P329 WeakPolarHBondContact OH-CD 3.37Å; Y65-P329 VanDerWaalsContact OH-CG 3.3Å; Y65-P329 WeakPolarHBondContact OH-CG 3.32Å
66	G	86.3	Confident	92.9	Very high	7 Å²	7	40.4 Å²	40.4	7%	0.072	23%	0.229	C	C	.	.			trans	96.3	-158.7	-170.9	0	0	0	0	0	112.7	N58 A61 T64	N58-G66 VanDerWaalsContact O-CA 3.25Å; N58-G66 WeakPolarHBondContact O-CA 3.39Å; A61-G66 PolarHBondContact O-N 3.17Å; T64-G66 PolarHBondContact O-N 2.99Å; T64-G66 PolarHBondContact OG1-O 3.47Å
67	P	94.2	Very high	92.8	Very high	40 Å²	40	45.9 Å²	45.9	26%	0.26	25%	0.253	S	S	.	.	P	Polyproline II helix	cis	-76.3	168.5	10.7	34.6	-40.4	0	0	0	113.9	N58 P78 Y79 Y132	N58-P67 CarbonylContact O-C 3.15Å; P67-P78 HydrophobicContact CB-CB 4.01Å; P67-P78 HydrophobicContact CG-CB 3.69Å; P67-Y79 CarbonylContact C-O 3.48Å; P67-Y79 WeakPolarHBondContact CA-O 3.44Å; P67-Y79 VanDerWaalsContact CB-O 3.26Å; P67-Y79 WeakPolarHBondContact CB-O 3.44Å; P67-Y132 WeakPolarHBondContact CD-O 3.37Å
68	A	95.8	Very high	92.7	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-56.5	131.2	161.3	0	0	0	0	0	108.2	P78 Y79	A68-P78 CarbonylContact O-C 3.57Å; A68-P78 WeakPolarHBondContact O-CA 3.35Å; A68-Y79 PolarHBondContact N-O 2.94Å; A68-Y79 PolarHBondContact O-N 3.27Å
69	P	95.9	Very high	92.9	Very high	38 Å²	38	44.4 Å²	44.4	25%	0.247	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-69	155.6	-168.9	25	-32.6	0	0	0	111.9	D54 Q55	D54-P69 HydrophobicContact CB-CG 3.74Å; Q55-P69 PolarHBondContact NE2-O 3.13Å
70	A	96.6	Very high	93.3	Very high	43 Å²	43	44.4 Å²	44.4	36%	0.355	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-63	154.8	171.9	0	0	0	0	0	111.3	P72 I76 P78	A70-P72 WeakPolarHBondContact O-CD 3.45Å; A70-I76 WeakPolarHBondContact CA-O 3.33Å; A70-I76 WeakPolarHBondContact CB-O 3.47Å; A70-P78 HydrophobicContact CB-CG 3.96Å
71	I	97.3	Very high	93.5	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.026	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-118.9	85.7	168.7	-49.7	175.9	0	0	0	107.6	L47 E51 Q55 R73 L74 K75 I76 F360	L47-I71 HydrophobicContact CD2-CD1 3.44Å; L47-I71 VanDerWaalsContact CD2-CD1 3.44Å; E51-I71 HydrophobicContact CB-CD1 4.24Å; E51-I71 HydrophobicContact CG-CG2 4.11Å; E51-I71 VanDerWaalsContact OE1-CG2 3.25Å; E51-I71 WeakPolarHBondContact OE1-CG2 3.19Å; Q55-I71 HydrophobicContact CG-CD1 4.38Å; I71-R73 VanDerWaalsContact C-N 3.29Å; I71-R73 PolarHBondContact O-N 3.5Å; I71-L74 HydrophobicContact CB-CB 4.47Å; I71-L74 HydrophobicContact CG2-CB 4.02Å; I71-L74 HydrophobicContact CG2-CD1 4.1Å; I71-L74 HydrophobicContact CG2-CG 3.97Å; I71-L74 CarbonylContact O-C 3.58Å; I71-L74 PolarHBondContact O-N 2.97Å; I71-L74 VanDerWaalsContact O-N 3.09Å; I71-K75 PolarHBondContact O-N 3.08Å; I71-I76 HydrophobicContact CB-CB 4.12Å; I71-I76 HydrophobicContact CD1-CD1 4.4Å; I71-I76 PolarHBondContact N-O 3.39Å; I71-I76 PolarHBondContact O-N 3.45Å; I71-I76 VanDerWaalsContact O-N 3.09Å; I71-F360 HydrophobicContact CD1-CZ 4.23Å
72	P	96.1	Very high	93.4	Very high	107 Å²	107	45.3 Å²	45.3	70%	0.695	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-58.7	-38.2	-171.4	-27.1	35.6	0	0	0	113.6	A70 L74 K75	A70-P72 WeakPolarHBondContact O-CD 3.45Å; P72-L74 VanDerWaalsContact C-N 3.25Å; P72-L74 PolarHBondContact O-N 3.15Å; P72-K75 PolarHBondContact O-N 2.99Å
73	R	95.6	Very high	93.4	Very high	137 Å²	137	44.6 Å²	44.6	52%	0.517	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-57.5	-38.5	177.7	-177.7	-178.6	61.6	86.2	1.1	112.3	S46 E51 I71	S46-R73 PolarHBondContact O-NH1 3.13Å; S46-R73 PolarHBondContact O-NH2 3.37Å; E51-R73 VanDerWaalsContact CD-NH2 3.34Å; E51-R73 IonicContact OE1-CZ 3.62Å; E51-R73 IonicContact OE1-NE 3.33Å; E51-R73 PolarHBondContact OE1-NE 2.65Å; E51-R73 IonicContact OE1-NH2 3.03Å; E51-R73 PolarHBondContact OE1-NH2 3.38Å; E51-R73 IonicContact OE2-CZ 3.96Å; E51-R73 IonicContact OE2-NH2 2.79Å; E51-R73 PolarHBondContact OE2-NH2 3.29Å; I71-R73 VanDerWaalsContact C-N 3.29Å; I71-R73 PolarHBondContact O-N 3.5Å
74	L	94.9	Very high	93.2	Very high	5 Å²	5	40 Å²	40	3%	0.026	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-93.7	0	177.8	-61.4	-176.7	0	0	0	113.1	F29 R30 L43 L47 I71 P72 I76	F29-L74 HydrophobicContact CE1-CD2 4.49Å; F29-L74 HydrophobicContact CZ-CB 4.4Å; R30-L74 PolarHBondContact NH2-O 3.3Å; L43-L74 HydrophobicContact CD1-CD1 4.22Å; L47-L74 HydrophobicContact CD2-CD1 3.67Å; L47-L74 HydrophobicContact CG-CD1 4.41Å; I71-L74 HydrophobicContact CB-CB 4.47Å; I71-L74 HydrophobicContact CG2-CB 4.02Å; I71-L74 HydrophobicContact CG2-CD1 4.1Å; I71-L74 HydrophobicContact CG2-CG 3.97Å; I71-L74 CarbonylContact O-C 3.58Å; I71-L74 PolarHBondContact O-N 2.97Å; I71-L74 VanDerWaalsContact O-N 3.09Å; P72-L74 VanDerWaalsContact C-N 3.25Å; P72-L74 PolarHBondContact O-N 3.15Å; L74-I76 VanDerWaalsContact C-N 3.26Å; L74-I76 HydrophobicContact CB-CD1 3.8Å; L74-I76 HydrophobicContact CB-CG1 3.95Å; L74-I76 HydrophobicContact CD1-CD1 4.12Å; L74-I76 PolarHBondContact O-N 2.91Å
75	K	93.1	Very high	92.6	Very high	168 Å²	168	37.6 Å²	37.6	73%	0.73	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	41.4	-173.9	-55.3	177.8	-179.9	178.1	0	112.2	R30 I71 P72	R30-K75 PolarHBondContact NH2-O 3.2Å; I71-K75 PolarHBondContact O-N 3.08Å; P72-K75 PolarHBondContact O-N 2.99Å
76	I	95	Very high	91.6	Very high	5 Å²	5	38 Å²	38	3%	0.026	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-100.2	129	175.7	-63.8	173.5	0	0	0	107.7	L43 A70 I71 L74 F360 L369	L43-I76 HydrophobicContact CD1-CD1 3.75Å; A70-I76 WeakPolarHBondContact CA-O 3.33Å; A70-I76 WeakPolarHBondContact CB-O 3.47Å; I71-I76 HydrophobicContact CB-CB 4.12Å; I71-I76 HydrophobicContact CD1-CD1 4.4Å; I71-I76 PolarHBondContact N-O 3.39Å; I71-I76 PolarHBondContact O-N 3.45Å; I71-I76 VanDerWaalsContact O-N 3.09Å; L74-I76 VanDerWaalsContact C-N 3.26Å; L74-I76 HydrophobicContact CB-CD1 3.8Å; L74-I76 HydrophobicContact CB-CG1 3.95Å; L74-I76 HydrophobicContact CD1-CD1 4.12Å; L74-I76 PolarHBondContact O-N 2.91Å; I76-F360 HydrophobicContact CD1-CE1 4.26Å; I76-L369 HydrophobicContact CG1-CD2 4.14Å
77	K	94.4	Very high	90.9	Very high	116 Å²	116	38.7 Å²	38.7	50%	0.504	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-78.1	165.4	-177.3	-66.5	-174.9	-176.7	177.6	0	111.1	Y132 R363	K77-Y132 WeakPolarHBondContact CD-OH 3.2Å; K77-R363 PolarHBondContact O-NH2 3.12Å
78	P	95.5	Very high	90	Very high	25 Å²	25	38.6 Å²	38.6	16%	0.162	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-59.1	154.4	166	-15.4	29.1	0	0	0	110.6	P67 A68 A70 Y132	P67-P78 HydrophobicContact CB-CB 4.01Å; P67-P78 HydrophobicContact CG-CB 3.69Å; A68-P78 CarbonylContact O-C 3.57Å; A68-P78 WeakPolarHBondContact O-CA 3.35Å; A70-P78 HydrophobicContact CB-CG 3.96Å; P78-Y132 HydrophobicContact CB-CD1 4.49Å; P78-Y132 HydrophobicContact CB-CD2 3.93Å; P78-Y132 HydrophobicContact CB-CE2 4.35Å; P78-Y132 HydrophobicContact CB-CG 4.02Å; P78-Y132 HydrophobicContact CG-CD2 4.03Å; P78-Y132 HydrophobicContact CG-CE2 4.15Å; P78-Y132 WeakPolarHBondContact O-CD1 3.18Å; P78-Y132 WeakPolarHBondContact O-CE1 3.43Å
79	Y	95.1	Very high	89.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-139.7	128.7	-177.3	-173.2	-95	0	0	0	112.3	P67 A68 W81 W123 N139 R363 E366 E368	P67-Y79 CarbonylContact C-O 3.48Å; P67-Y79 WeakPolarHBondContact CA-O 3.44Å; P67-Y79 VanDerWaalsContact CB-O 3.26Å; P67-Y79 WeakPolarHBondContact CB-O 3.44Å; A68-Y79 PolarHBondContact N-O 2.94Å; A68-Y79 PolarHBondContact O-N 3.27Å; Y79-W81 AromaticContact CD1-CD1 3.92Å; Y79-W81 AromaticContact CD1-CD2 3.78Å; Y79-W81 HydrophobicContact CD1-CD2 3.78Å; Y79-W81 AromaticContact CD1-CE2 3.51Å; Y79-W81 HydrophobicContact CD1-CE3 4.36Å; Y79-W81 HydrophobicContact CD1-CG 4.03Å; Y79-W81 HydrophobicContact CD1-CH2 4.37Å; Y79-W81 AromaticContact CD1-CZ2 3.84Å; Y79-W81 HydrophobicContact CD1-CZ2 3.84Å; Y79-W81 AromaticContact CD1-NE1 3.65Å; Y79-W81 AromaticContact CE1-CD2 3.54Å; Y79-W81 HydrophobicContact CE1-CD2 3.54Å; Y79-W81 AromaticContact CE1-CE2 3.57Å; Y79-W81 AromaticContact CE1-CE3 3.65Å; Y79-W81 HydrophobicContact CE1-CE3 3.65Å; Y79-W81 HydrophobicContact CE1-CG 4.11Å; Y79-W81 AromaticContact CE1-CH2 3.76Å; Y79-W81 HydrophobicContact CE1-CH2 3.76Å; Y79-W81 AromaticContact CE1-CZ2 3.69Å; Y79-W81 HydrophobicContact CE1-CZ2 3.69Å; Y79-W81 AromaticContact CE1-CZ3 3.75Å; Y79-W81 HydrophobicContact CE1-CZ3 3.75Å; Y79-W123 HydrophobicContact CD2-CH2 4.37Å; Y79-N139 PolarHBondContact OH-ND2 3.47Å; Y79-R363 HydrophobicContact CD1-CG 4.38Å; Y79-R363 HydrophobicContact CD2-CG 4.14Å; Y79-R363 HydrophobicContact CE1-CG 4.09Å; Y79-R363 HydrophobicContact CE2-CG 3.87Å; Y79-R363 HydrophobicContact CG-CG 4.33Å; Y79-E366 WeakPolarHBondContact CE2-OE2 3.46Å; Y79-E366 PolarHBondContact OH-OE1 2.77Å; Y79-E366 PolarHBondContact OH-OE2 3.18Å; Y79-E368 WeakPolarHBondContact CD2-OE1 3.38Å
80	Q	94.5	Very high	88.9	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.			trans	-98.5	112.5	-179.4	178.3	53	-91.1	0	0	110.2	Y65 Y132 R133	Y65-Q80 PolarHBondContact O-NE2 3.45Å; Y65-Q80 PolarHBondContact O-OE1 3.17Å; Q80-Y132 PolarHBondContact NE2-O 3.16Å; Q80-R133 WeakPolarHBondContact CG-O 3.47Å; Q80-R133 PolarHBondContact NE2-O 3.22Å
81	W	94.1	Very high	88.5	Confident	3 Å²	3	41.2 Å²	41.2	1%	0.011	21%	0.212	C	C	.	.			trans	-80.6	-27.5	179.4	-69.2	96.7	0	0	0	113.5	Y79 N139 F141 F289 I324 L359 A362 R363	Y79-W81 AromaticContact CD1-CD1 3.92Å; Y79-W81 AromaticContact CD1-CD2 3.78Å; Y79-W81 HydrophobicContact CD1-CD2 3.78Å; Y79-W81 AromaticContact CD1-CE2 3.51Å; Y79-W81 HydrophobicContact CD1-CE3 4.36Å; Y79-W81 HydrophobicContact CD1-CG 4.03Å; Y79-W81 HydrophobicContact CD1-CH2 4.37Å; Y79-W81 AromaticContact CD1-CZ2 3.84Å; Y79-W81 HydrophobicContact CD1-CZ2 3.84Å; Y79-W81 AromaticContact CD1-NE1 3.65Å; Y79-W81 AromaticContact CE1-CD2 3.54Å; Y79-W81 HydrophobicContact CE1-CD2 3.54Å; Y79-W81 AromaticContact CE1-CE2 3.57Å; Y79-W81 AromaticContact CE1-CE3 3.65Å; Y79-W81 HydrophobicContact CE1-CE3 3.65Å; Y79-W81 HydrophobicContact CE1-CG 4.11Å; Y79-W81 AromaticContact CE1-CH2 3.76Å; Y79-W81 HydrophobicContact CE1-CH2 3.76Å; Y79-W81 AromaticContact CE1-CZ2 3.69Å; Y79-W81 HydrophobicContact CE1-CZ2 3.69Å; Y79-W81 AromaticContact CE1-CZ3 3.75Å; Y79-W81 HydrophobicContact CE1-CZ3 3.75Å; W81-N139 WeakPolarHBondContact O-CB 3.15Å; W81-F141 WeakPolarHBondContact O-CE1 3.35Å; W81-F289 HydrophobicContact CE3-CE1 4.11Å; W81-F289 HydrophobicContact CE3-CE2 4.06Å; W81-F289 AromaticContact CE3-CZ 3.67Å; W81-F289 HydrophobicContact CE3-CZ 3.67Å; W81-F289 HydrophobicContact CH2-CE1 4.45Å; W81-F289 AromaticContact CZ3-CD1 4Å; W81-F289 HydrophobicContact CZ3-CD1 4Å; W81-F289 AromaticContact CZ3-CE1 3.48Å; W81-F289 HydrophobicContact CZ3-CE1 3.48Å; W81-F289 VanDerWaalsContact CZ3-CE1 3.48Å; W81-F289 HydrophobicContact CZ3-CE2 4.17Å; W81-F289 AromaticContact CZ3-CZ 3.56Å; W81-F289 HydrophobicContact CZ3-CZ 3.56Å; W81-I324 HydrophobicContact CB-CD1 4.38Å; W81-I324 HydrophobicContact CD2-CD1 3.9Å; W81-I324 HydrophobicContact CG-CD1 3.62Å; W81-L359 HydrophobicContact CH2-CB 3.7Å; W81-L359 HydrophobicContact CH2-CD2 3.76Å; W81-L359 HydrophobicContact CH2-CG 4.32Å; W81-L359 WeakPolarHBondContact CH2-O 3.37Å; W81-L359 HydrophobicContact CZ2-CB 3.67Å; W81-L359 HydrophobicContact CZ2-CD2 3.88Å; W81-L359 HydrophobicContact CZ2-CG 4.23Å; W81-L359 HydrophobicContact CZ3-CD2 4.14Å; W81-A362 HydrophobicContact CH2-CB 4.3Å; W81-A362 HydrophobicContact CZ3-CB 4.22Å; W81-R363 HydrophobicContact CH2-CG 4.23Å; W81-R363 HydrophobicContact CZ2-CG 4.36Å
82	R	90.5	Very high	87.9	Confident	30 Å²	30	41.9 Å²	41.9	11%	0.113	22%	0.217	C	C	.	.			trans	-93.2	115.8	-173	-173.5	165.2	-175.3	-94.6	18.8	111.1	D134 N135 F141 E294	R82-D134 WeakPolarHBondContact CD-OD1 3.47Å; R82-D134 WeakPolarHBondContact CG-OD1 3.44Å; R82-D134 IonicContact CZ-OD1 3.48Å; R82-D134 IonicContact CZ-OD2 3.28Å; R82-D134 IonicContact NE-OD1 2.72Å; R82-D134 IonicContact NH1-OD1 3.99Å; R82-D134 PolarHBondContact NH1-OD1 3.08Å; R82-D134 IonicContact NH1-OD2 2.79Å; R82-D134 PolarHBondContact NH1-OD2 3.1Å; R82-N135 WeakPolarHBondContact O-CA 3.26Å; R82-N135 PolarHBondContact O-N 2.78Å; R82-F141 HydrophobicContact CB-CE2 4.11Å; R82-F141 HydrophobicContact CB-CZ 4.13Å; R82-F141 HydrophobicContact CG-CD2 4.33Å; R82-F141 HydrophobicContact CG-CE2 3.66Å; R82-F141 HydrophobicContact CG-CZ 4.2Å; R82-E294 IonicContact CZ-OE2 3.43Å; R82-E294 IonicContact NE-OE2 3.68Å; R82-E294 IonicContact NH2-OE2 3.44Å; R82-E294 PolarHBondContact NH2-OE2 2.77Å
83	T	89.8	Confident	87.6	Confident	7 Å²	7	36.9 Å²	36.9	4%	0.043	18%	0.184	C	C	.	.			trans	-150.5	131	165.3	-58.5	0	0	0	0	109.1	M119 G137 N139 V140 F141	T83-M119 HydrophobicContact CG2-CE 3.47Å; T83-M119 VanDerWaalsContact CG2-CE 3.47Å; T83-G137 WeakPolarHBondContact OG1-CA 3.32Å; T83-G137 PolarHBondContact OG1-N 2.91Å; T83-G137 PolarHBondContact OG1-O 3.17Å; T83-N139 WeakPolarHBondContact CB-O 3.16Å; T83-N139 PolarHBondContact N-O 3.47Å; T83-V140 CarbonylContact O-C 3.35Å; T83-V140 VanDerWaalsContact O-CA 3.31Å; T83-V140 WeakPolarHBondContact O-CA 3.39Å; T83-F141 PolarHBondContact O-N 3.45Å
84	N	84.3	Confident	87.3	Confident	9 Å²	9	30.5 Å²	30.5	5%	0.048	16%	0.161	C	C	.	.			trans	-94.4	156	171.9	-66.4	-61	0	0	0	110.2	Q87 Y446	N84-Q87 VanDerWaalsContact CB-CD 3.48Å; N84-Q87 HydrophobicContact CB-CG 3.98Å; N84-Q87 PolarHBondContact ND2-NE2 3.33Å; N84-Q87 PolarHBondContact O-OE1 3.43Å; N84-Y446 HydrophobicContact CB-CD1 4.47Å; N84-Y446 HydrophobicContact CB-CD2 4.42Å; N84-Y446 HydrophobicContact CB-CG 4.14Å
85	P	74.8	Confident	87.2	Confident	13 Å²	13	31 Å²	31	8%	0.084	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	152.1	170.6	27	-35.7	0	0	0	110.7	Q87 V140 A142	P85-Q87 VanDerWaalsContact C-N 3.27Å; P85-Q87 PolarHBondContact O-N 2.98Å; P85-V140 HydrophobicContact CB-CG2 4.22Å; P85-A142 HydrophobicContact CG-CB 4.06Å
86	N	69.6	Low	87.2	Confident	40 Å²	40	24.2 Å²	24.2	21%	0.214	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	23.8	172.1	-51.9	-23.7	0	0	0	116.2	C90	N86-C90 WeakPolarHBondContact CA-SG 3.35Å; N86-C90 PolarHBondContact O-SG 2.79Å
87	Q	71.6	Confident	87.3	Confident	21 Å²	21	24 Å²	24	10%	0.098	13%	0.134	C	C	.	.			trans	-86.5	138.3	177.1	-73.9	179.6	-37.5	0	0	113.4	N84 P85 K122 N135	N84-Q87 VanDerWaalsContact CB-CD 3.48Å; N84-Q87 HydrophobicContact CB-CG 3.98Å; N84-Q87 PolarHBondContact ND2-NE2 3.33Å; N84-Q87 PolarHBondContact O-OE1 3.43Å; P85-Q87 VanDerWaalsContact C-N 3.27Å; P85-Q87 PolarHBondContact O-N 2.98Å; Q87-K122 PolarHBondContact O-NZ 2.92Å; Q87-N135 HydrophobicContact CB-CB 4.44Å; Q87-N135 PolarHBondContact NE2-OD1 2.85Å; Q87-N135 PolarHBondContact OE1-OD1 3.11Å
88	G	76.3	Confident	87.3	Confident	39 Å²	39	18.5 Å²	18.5	40%	0.402	11%	0.11	S	C	.	.	S	Bend	trans	75.9	-153.6	-177.7	0	0	0	0	0	112.2	C90	G88-C90 PolarHBondContact O-N 3.22Å
89	L	81.5	Confident	87.4	Confident	108 Å²	108	17.7 Å²	17.7	57%	0.565	11%	0.105	S	C	*	.	S	Bend	trans	-73.4	118.1	173	-168.9	70.3	0	0	0	109.4	K122 V386 K387	L89-K122 PolarHBondContact O-NZ 3.09Å; L89-K122 VanDerWaalsContact O-NZ 3.15Å; L89-V386 HydrophobicContact CD2-CG1 4.26Å; L89-V386 HydrophobicContact CG-CG1 4.07Å; L89-K387 HydrophobicContact CD1-CD 3.47Å; L89-K387 VanDerWaalsContact CD1-CD 3.47Å; L89-K387 HydrophobicContact CD2-CD 4.43Å; L89-K387 HydrophobicContact CG-CD 3.67Å
90	C	87.1	Confident	87.5	Confident	22 Å²	22	17.7 Å²	17.7	15%	0.149	11%	0.105	C	C	.	.			trans	-158.1	167.3	176.1	56.9	0	0	0	0	111.4	N86 G88 E118 K387	N86-C90 WeakPolarHBondContact CA-SG 3.35Å; N86-C90 PolarHBondContact O-SG 2.79Å; G88-C90 PolarHBondContact O-N 3.22Å; C90-E118 WeakPolarHBondContact CA-OE2 3.45Å; C90-E118 WeakPolarHBondContact CB-OE2 3.11Å; C90-K387 VanDerWaalsContact C-CG 3.41Å; C90-K387 WeakPolarHBondContact O-CG 3.06Å
91	T	87.6	Confident	87.7	Confident	5 Å²	5	17.7 Å²	17.7	3%	0.031	11%	0.105	C	C	.	.			trans	-65.2	134.9	169.3	-60.2	0	0	0	0	110.7	F93 E118 K387 H391	T91-F93 HydrophobicContact CG2-CD1 4.47Å; T91-F93 HydrophobicContact CG2-CD2 4.1Å; T91-F93 HydrophobicContact CG2-CE1 4.02Å; T91-F93 HydrophobicContact CG2-CE2 3.65Å; T91-F93 HydrophobicContact CG2-CZ 3.6Å; T91-F93 PolarHBondContact O-N 3.07Å; T91-E118 VanDerWaalsContact CB-OE1 3.31Å; T91-E118 WeakPolarHBondContact CB-OE1 3.46Å; T91-E118 PolarHBondContact N-OE1 2.91Å; T91-E118 PolarHBondContact N-OE2 3.18Å; T91-E118 PolarHBondContact OG1-OE1 3.46Å; T91-K387 VanDerWaalsContact OG1-CA 3.31Å; T91-K387 WeakPolarHBondContact OG1-CA 3.4Å; T91-K387 PolarHBondContact OG1-N 3.21Å; T91-H391 HydrophobicContact CG2-CB 3.94Å; T91-H391 VanDerWaalsContact OG1-CB 3.22Å; T91-H391 WeakPolarHBondContact OG1-CB 3.26Å
92	S	84.9	Confident	87.8	Confident	20 Å²	20	17.8 Å²	17.8	14%	0.14	11%	0.105	C	C	.	.			trans	-87.9	102.2	-179.9	-156.7	0	0	0	0	109.6	S395 N582 D583	S92-S395 WeakPolarHBondContact O-CB 3.29Å; S92-S395 PolarHBondContact O-OG 3.46Å; S92-N582 WeakPolarHBondContact OG-CB 3.23Å; S92-D583 WeakPolarHBondContact CB-OD2 3.32Å; S92-D583 PolarHBondContact OG-OD2 3.28Å
93	F	89	Confident	88.2	Confident	2 Å²	2	16.4 Å²	16.4	1%	0.009	10%	0.1	C	C	.	.	P	Polyproline II helix	trans	-101.1	151.6	176.2	-67.2	-76.4	0	0	0	111.7	T91 I111 A114 N115 H391 L394 N582	T91-F93 HydrophobicContact CG2-CD1 4.47Å; T91-F93 HydrophobicContact CG2-CD2 4.1Å; T91-F93 HydrophobicContact CG2-CE1 4.02Å; T91-F93 HydrophobicContact CG2-CE2 3.65Å; T91-F93 HydrophobicContact CG2-CZ 3.6Å; T91-F93 PolarHBondContact O-N 3.07Å; F93-I111 HydrophobicContact CB-CG2 3.79Å; F93-I111 HydrophobicContact CD1-CB 4.4Å; F93-I111 HydrophobicContact CD1-CG1 3.82Å; F93-I111 HydrophobicContact CD1-CG2 4.07Å; F93-I111 HydrophobicContact CD2-CG2 3.98Å; F93-I111 HydrophobicContact CE1-CG1 4.23Å; F93-I111 HydrophobicContact CG-CB 4.5Å; F93-I111 HydrophobicContact CG-CG1 4.31Å; F93-I111 HydrophobicContact CG-CG2 3.69Å; F93-A114 HydrophobicContact CE2-CB 4.02Å; F93-A114 HydrophobicContact CZ-CB 3.71Å; F93-N115 WeakPolarHBondContact CD2-OD1 3.48Å; F93-N115 VanDerWaalsContact CE2-OD1 3.27Å; F93-N115 WeakPolarHBondContact CE2-OD1 3.47Å; F93-H391 HydrophobicContact CZ-CB 4.33Å; F93-L394 HydrophobicContact CE1-CB 4.12Å; F93-L394 HydrophobicContact CE1-CD2 3.84Å; F93-L394 HydrophobicContact CE1-CG 3.83Å; F93-L394 HydrophobicContact CZ-CD2 4.06Å; F93-L394 HydrophobicContact CZ-CG 4.5Å; F93-N582 PolarHBondContact O-ND2 3.04Å
94	V	89.9	Confident	88.3	Confident	3 Å²	3	17 Å²	17	2%	0.018	10%	0.103	C	C	.	.	P	Polyproline II helix	trans	-57	151.6	179.5	-58.6	0	0	0	0	113	N98 Q99 A399 M581 I584	V94-N98 HydrophobicContact CB-CB 3.75Å; V94-N98 HydrophobicContact CG2-CB 3.81Å; V94-Q99 HydrophobicContact CG2-CG 3.91Å; V94-Q99 PolarHBondContact O-NE2 3.36Å; V94-A399 HydrophobicContact CG1-CB 3.42Å; V94-A399 VanDerWaalsContact CG1-CB 3.42Å; V94-M581 HydrophobicContact CG1-CB 4.34Å; V94-M581 HydrophobicContact CG1-CG 4.24Å; V94-I584 HydrophobicContact CG1-CD1 4.5Å
95	S	91.8	Very high	88.7	Confident	16 Å²	16	18.7 Å²	18.7	11%	0.112	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-59	161	-179.4	76	0	0	0	0	112.9	I97 N98 Q99 Y580	S95-I97 PolarHBondContact O-N 2.96Å; S95-I97 WeakPolarHBondContact OG-CG2 3.33Å; S95-N98 WeakPolarHBondContact O-CB 3.34Å; S95-N98 PolarHBondContact O-N 2.75Å; S95-N98 VanDerWaalsContact O-N 3.08Å; S95-N98 PolarHBondContact OG-OD1 3.42Å; S95-Q99 WeakPolarHBondContact O-CG 3.48Å; S95-Q99 PolarHBondContact O-N 3.24Å; S95-Y580 PolarHBondContact N-O 3Å
96	H	94.6	Very high	89.2	Confident	25 Å²	25	20.9 Å²	20.9	12%	0.116	12%	0.122	C	C	.	.	H	α-helix	trans	-61.8	-32.3	-177.9	-64.9	97.1	0	0	0	112.5	N98 Q99 A100 K157 E158 T159 Y160 Y174	H96-N98 VanDerWaalsContact C-N 3.34Å; H96-Q99 WeakPolarHBondContact O-CB 3.26Å; H96-Q99 PolarHBondContact O-N 3.39Å; H96-A100 PolarHBondContact O-N 2.96Å; H96-K157 PolarHBondContact N-O 3.46Å; H96-E158 VanDerWaalsContact CB-O 3.27Å; H96-E158 WeakPolarHBondContact CB-O 3.28Å; H96-T159 CarbonylContact C-O 3.43Å; H96-Y160 HydrophobicContact CB-CD1 4.1Å; H96-Y160 HydrophobicContact CB-CE1 3.93Å; H96-Y160 AromaticContact CD2-CE1 3.75Å; H96-Y160 AromaticContact CD2-CZ 3.67Å; H96-Y160 PolarHBondContact CD2-OH 3.42Å; H96-Y160 WeakPolarHBondContact O-CD1 3.49Å; H96-Y174 AromaticContact NE2-CE2 4Å
97	I	95.9	Very high	90	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-68.9	-35.5	176.5	-164	64.7	0	0	0	111.5	S95 A100 A101 L148 K157 T159 G161 W577 P637 F638	S95-I97 PolarHBondContact O-N 2.96Å; S95-I97 WeakPolarHBondContact OG-CG2 3.33Å; I97-A100 PolarHBondContact O-N 2.86Å; I97-A101 PolarHBondContact O-N 3.42Å; I97-L148 HydrophobicContact CD1-CD1 4.11Å; I97-K157 HydrophobicContact CG2-CB 4.37Å; I97-K157 PolarHBondContact N-O 2.97Å; I97-T159 WeakPolarHBondContact CA-O 3.39Å; I97-T159 PolarHBondContact N-O 3.1Å; I97-G161 VanDerWaalsContact CD1-CA 3.41Å; I97-G161 VanDerWaalsContact CD1-N 3.35Å; I97-W577 HydrophobicContact CG1-CH2 4.19Å; I97-W577 HydrophobicContact CG1-CZ2 4.36Å; I97-W577 HydrophobicContact CG2-CH2 4.34Å; I97-W577 HydrophobicContact CG2-CZ2 4.31Å; I97-P637 HydrophobicContact CD1-CB 4.31Å; I97-P637 HydrophobicContact CD1-CG 3.67Å; I97-P637 HydrophobicContact CG1-CG 4Å; I97-P637 WeakPolarHBondContact O-CG 3.5Å; I97-F638 HydrophobicContact CD1-CD1 4.06Å; I97-F638 HydrophobicContact CG1-CD1 4.16Å; I97-F638 HydrophobicContact CG1-CE1 4.14Å
98	N	95.7	Very high	91	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67	-42.3	171.5	-74.2	99.1	0	0	0	111.3	V94 S95 H96 A100 A101 S102 S402 C578 Y580	V94-N98 HydrophobicContact CB-CB 3.75Å; V94-N98 HydrophobicContact CG2-CB 3.81Å; S95-N98 WeakPolarHBondContact O-CB 3.34Å; S95-N98 PolarHBondContact O-N 2.75Å; S95-N98 VanDerWaalsContact O-N 3.08Å; S95-N98 PolarHBondContact OG-OD1 3.42Å; H96-N98 VanDerWaalsContact C-N 3.34Å; N98-A100 VanDerWaalsContact C-N 3.25Å; N98-A100 PolarHBondContact O-N 3.09Å; N98-A101 WeakPolarHBondContact O-CB 3.42Å; N98-A101 PolarHBondContact O-N 3.01Å; N98-S102 PolarHBondContact O-N 3.21Å; N98-S402 WeakPolarHBondContact O-CB 3.25Å; N98-C578 PolarHBondContact ND2-O 2.74Å; N98-Y580 PolarHBondContact OD1-N 2.61Å; N98-Y580 PolarHBondContact OD1-O 3.14Å
99	Q	96.2	Very high	91.7	Very high	9 Å²	9	17.3 Å²	17.3	4%	0.042	9%	0.093	C	C	.	.	H	α-helix	trans	-56.6	-42.4	173.3	-71.4	178	47.2	0	0	111.2	V94 S95 H96 A101 S102 V108 I111 Y160	V94-Q99 HydrophobicContact CG2-CG 3.91Å; V94-Q99 PolarHBondContact O-NE2 3.36Å; S95-Q99 WeakPolarHBondContact O-CG 3.48Å; S95-Q99 PolarHBondContact O-N 3.24Å; H96-Q99 WeakPolarHBondContact O-CB 3.26Å; H96-Q99 PolarHBondContact O-N 3.39Å; Q99-A101 VanDerWaalsContact C-N 3.32Å; Q99-A101 PolarHBondContact O-N 3.13Å; Q99-S102 WeakPolarHBondContact O-CB 3.42Å; Q99-S102 PolarHBondContact O-N 3.33Å; Q99-S102 PolarHBondContact O-OG 3.35Å; Q99-V108 HydrophobicContact CB-CG2 3.88Å; Q99-V108 HydrophobicContact CG-CG2 4.48Å; Q99-I111 HydrophobicContact CG-CD1 3.81Å; Q99-Y160 HydrophobicContact CB-CE1 4.33Å
100	A	98.3	Very high	91.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-63.1	-37.6	174.2	0	0	0	0	0	113.3	H96 I97 N98 S102 F103 Y160 L166 L170 P637	H96-A100 PolarHBondContact O-N 2.96Å; I97-A100 PolarHBondContact O-N 2.86Å; N98-A100 VanDerWaalsContact C-N 3.25Å; N98-A100 PolarHBondContact O-N 3.09Å; A100-S102 PolarHBondContact O-N 3.36Å; A100-F103 WeakPolarHBondContact O-CD2 3.46Å; A100-F103 PolarHBondContact O-N 3.17Å; A100-Y160 HydrophobicContact CB-CD1 4.19Å; A100-Y160 WeakPolarHBondContact CB-O 3.5Å; A100-L166 HydrophobicContact CB-CD2 4.26Å; A100-L170 VanDerWaalsContact CA-CD1 3.47Å; A100-L170 HydrophobicContact CB-CD1 3.82Å; A100-P637 HydrophobicContact CB-CB 3.59Å; A100-P637 HydrophobicContact CB-CG 4.01Å
101	A	98.3	Very high	92.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-64.1	-21.9	177.6	0	0	0	0	0	113.8	I97 N98 Q99 F103 V404 W577 A634 R635 P637	I97-A101 PolarHBondContact O-N 3.42Å; N98-A101 WeakPolarHBondContact O-CB 3.42Å; N98-A101 PolarHBondContact O-N 3.01Å; Q99-A101 VanDerWaalsContact C-N 3.32Å; Q99-A101 PolarHBondContact O-N 3.13Å; A101-F103 VanDerWaalsContact C-N 3.27Å; A101-F103 PolarHBondContact O-N 2.92Å; A101-V404 HydrophobicContact CB-CG2 4.11Å; A101-W577 HydrophobicContact CB-CH2 4.19Å; A101-W577 HydrophobicContact CB-CZ3 3.54Å; A101-A634 WeakPolarHBondContact O-CA 3.47Å; A101-A634 WeakPolarHBondContact O-CB 3.38Å; A101-R635 WeakPolarHBondContact CA-O 3.49Å; A101-R635 WeakPolarHBondContact CB-O 3.5Å; A101-R635 PolarHBondContact O-N 2.92Å; A101-P637 HydrophobicContact CB-CG 4.04Å
102	S	96.6	Very high	92.3	Very high	4 Å²	4	11.3 Å²	11.3	3%	0.028	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-26.1	173.5	78.1	0	0	0	0	113.1	N98 Q99 A100 D104 R768	N98-S102 PolarHBondContact O-N 3.21Å; Q99-S102 WeakPolarHBondContact O-CB 3.42Å; Q99-S102 PolarHBondContact O-N 3.33Å; Q99-S102 PolarHBondContact O-OG 3.35Å; A100-S102 PolarHBondContact O-N 3.36Å; S102-D104 PolarHBondContact O-N 2.9Å; S102-D104 PolarHBondContact OG-N 3.02Å; S102-D104 VanDerWaalsContact OG-N 3.11Å; S102-R768 PolarHBondContact O-NH1 3.31Å
103	F	97.5	Very high	92.5	Very high	1 Å²	1	10.5 Å²	10.5	0%	0.004	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	35	-168.8	-77.2	-115.5	0	0	0	112.3	A100 A101 L166 R635 F682 V733 L763 F766	A100-F103 WeakPolarHBondContact O-CD2 3.46Å; A100-F103 PolarHBondContact O-N 3.17Å; A101-F103 VanDerWaalsContact C-N 3.27Å; A101-F103 PolarHBondContact O-N 2.92Å; F103-L166 HydrophobicContact CD1-CD1 4.06Å; F103-L166 HydrophobicContact CE1-CD1 4.22Å; F103-L166 HydrophobicContact CE1-CD2 4.12Å; F103-L166 HydrophobicContact CE2-CD2 4.06Å; F103-L166 HydrophobicContact CG-CD1 4.37Å; F103-L166 HydrophobicContact CZ-CD2 3.8Å; F103-R635 HydrophobicContact CD2-CB 3.83Å; F103-R635 HydrophobicContact CD2-CG 4.49Å; F103-R635 HydrophobicContact CE2-CB 3.64Å; F103-R635 HydrophobicContact CZ-CB 4.25Å; F103-F682 HydrophobicContact CE1-CZ 4.2Å; F103-F682 HydrophobicContact CZ-CE1 4.29Å; F103-F682 HydrophobicContact CZ-CE2 4.22Å; F103-F682 AromaticContact CZ-CZ 3.77Å; F103-F682 HydrophobicContact CZ-CZ 3.77Å; F103-V733 HydrophobicContact CB-CB 4.4Å; F103-V733 HydrophobicContact CB-CG1 3.42Å; F103-V733 VanDerWaalsContact CB-CG1 3.42Å; F103-V733 HydrophobicContact CB-CG2 4.03Å; F103-V733 HydrophobicContact CD1-CG1 3.83Å; F103-V733 HydrophobicContact CG-CG1 3.69Å; F103-L763 HydrophobicContact CE1-CD2 4.02Å; F103-F766 HydrophobicContact CB-CD2 3.98Å; F103-F766 HydrophobicContact CB-CE2 4.37Å; F103-F766 HydrophobicContact CD1-CB 4.09Å; F103-F766 HydrophobicContact CD1-CD2 4.08Å; F103-F766 HydrophobicContact CD1-CG 4.01Å; F103-F766 VanDerWaalsContact O-CD2 3.23Å; F103-F766 WeakPolarHBondContact O-CD2 3.48Å; F103-F766 VanDerWaalsContact O-CE2 3.26Å; F103-F766 WeakPolarHBondContact O-CE2 3.38Å
104	D	93.3	Very high	92.5	Very high	20 Å²	20	10.4 Å²	10.4	11%	0.107	5%	0.053	C	C	.	.			trans	-121.2	102.7	-177.3	-165.9	-27.4	0	0	0	111.2	S102 L106 D107 V108 K401 R768	S102-D104 PolarHBondContact O-N 2.9Å; S102-D104 PolarHBondContact OG-N 3.02Å; S102-D104 VanDerWaalsContact OG-N 3.11Å; D104-L106 PolarHBondContact O-N 3.46Å; D104-L106 WeakPolarHBondContact OD1-CA 3.3Å; D104-L106 WeakPolarHBondContact OD1-CB 3.33Å; D104-L106 PolarHBondContact OD1-N 2.67Å; D104-D107 HydrophobicContact CB-CB 3.97Å; D104-D107 PolarHBondContact O-N 2.89Å; D104-D107 PolarHBondContact OD1-N 3.28Å; D104-D107 VanDerWaalsContact OD1-N 3.12Å; D104-V108 PolarHBondContact O-N 3.33Å; D104-K401 IonicContact OD2-NZ 2.62Å; D104-R768 HydrophobicContact CB-CB 4.34Å; D104-R768 WeakPolarHBondContact OD2-CD 3.34Å
105	I	91.4	Very high	92.6	Very high	44 Å²	44	10.8 Å²	10.8	23%	0.226	6%	0.055	C	C	.	.	H	α-helix	trans	-57.7	-40.6	176	-65.4	176.3	0	0	0	110.6	W109 E169 L170 A173 F766	I105-W109 PolarHBondContact O-N 3.03Å; I105-E169 HydrophobicContact CD1-CB 4.11Å; I105-E169 HydrophobicContact CG1-CB 4.4Å; I105-L170 HydrophobicContact CG1-CD2 4.23Å; I105-A173 HydrophobicContact CG2-CB 3.8Å; I105-A173 VanDerWaalsContact O-CB 3.31Å; I105-A173 WeakPolarHBondContact O-CB 3.32Å; I105-F766 HydrophobicContact CD1-CE2 4.1Å; I105-F766 HydrophobicContact CD1-CZ 3.85Å; I105-F766 HydrophobicContact CG1-CE2 3.73Å; I105-F766 HydrophobicContact CG1-CZ 3.66Å
106	L	85.6	Confident	92.6	Very high	59 Å²	59	10 Å²	10	31%	0.309	5%	0.05	S	C	.	.	H	α-helix	trans	-70.8	-38	-174.6	175.3	62.4	0	0	0	110.8	D104 W109 K110 V183	D104-L106 PolarHBondContact O-N 3.46Å; D104-L106 WeakPolarHBondContact OD1-CA 3.3Å; D104-L106 WeakPolarHBondContact OD1-CB 3.33Å; D104-L106 PolarHBondContact OD1-N 2.67Å; L106-W109 HydrophobicContact CD1-CE3 4.31Å; L106-W109 WeakPolarHBondContact O-CB 3.45Å; L106-W109 PolarHBondContact O-N 3.04Å; L106-K110 HydrophobicContact CD1-CG 4.36Å; L106-K110 HydrophobicContact CG-CD 4.29Å; L106-K110 VanDerWaalsContact CG-CE 3.47Å; L106-K110 HydrophobicContact CG-CG 4.5Å; L106-K110 VanDerWaalsContact O-CG 3.29Å; L106-K110 WeakPolarHBondContact O-CG 3.42Å; L106-K110 PolarHBondContact O-N 3.18Å; L106-V183 HydrophobicContact CD1-CG2 3.64Å
107	D	87.7	Confident	92.5	Very high	2 Å²	2	9.5 Å²	9.5	1%	0.011	5%	0.048	C	C	.	.	H	α-helix	trans	-67.8	-41.1	177.7	-78.5	-5.5	0	0	0	112.2	D104 W109 K110 I111 T398 K401	D104-D107 HydrophobicContact CB-CB 3.97Å; D104-D107 PolarHBondContact O-N 2.89Å; D104-D107 PolarHBondContact OD1-N 3.28Å; D104-D107 VanDerWaalsContact OD1-N 3.12Å; D107-W109 VanDerWaalsContact C-N 3.29Å; D107-W109 PolarHBondContact O-N 2.69Å; D107-K110 PolarHBondContact O-N 3.13Å; D107-K110 IonicContact OD1-NZ 2.67Å; D107-K110 PolarHBondContact OD1-NZ 3.37Å; D107-I111 VanDerWaalsContact O-CG1 3.28Å; D107-I111 WeakPolarHBondContact O-CG1 3.19Å; D107-I111 PolarHBondContact O-N 3.39Å; D107-T398 HydrophobicContact CB-CG2 3.85Å; D107-K401 WeakPolarHBondContact OD2-CD 3.38Å; D107-K401 IonicContact OD2-NZ 3.56Å
108	V	92.4	Very high	92.3	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-59.5	-42.5	172	176.4	0	0	0	0	111.3	Q99 D104 A112 Y160 L170 A173	Q99-V108 HydrophobicContact CB-CG2 3.88Å; Q99-V108 HydrophobicContact CG-CG2 4.48Å; D104-V108 PolarHBondContact O-N 3.33Å; V108-A112 VanDerWaalsContact O-CB 3.3Å; V108-A112 WeakPolarHBondContact O-CB 3.4Å; V108-A112 PolarHBondContact O-N 2.87Å; V108-Y160 HydrophobicContact CG1-CE1 4.45Å; V108-L170 HydrophobicContact CB-CD2 4.38Å; V108-L170 HydrophobicContact CG1-CB 4.47Å; V108-L170 WeakPolarHBondContact CG1-O 3.22Å; V108-L170 HydrophobicContact CG2-CB 4.45Å; V108-L170 HydrophobicContact CG2-CD1 4.5Å; V108-L170 HydrophobicContact CG2-CD2 3.81Å; V108-L170 HydrophobicContact CG2-CG 4.46Å; V108-A173 HydrophobicContact CB-CB 4.14Å; V108-A173 HydrophobicContact CG1-CB 4.07Å
109	W	90.7	Very high	92.2	Very high	23 Å²	23	10.2 Å²	10.2	9%	0.087	5%	0.051	C	C	.	.	H	α-helix	trans	-60.9	-46.8	174.8	179.8	94.5	0	0	0	112.1	I105 L106 D107 I111 A112 F113 A173 G177 W181 V183	I105-W109 PolarHBondContact O-N 3.03Å; L106-W109 HydrophobicContact CD1-CE3 4.31Å; L106-W109 WeakPolarHBondContact O-CB 3.45Å; L106-W109 PolarHBondContact O-N 3.04Å; D107-W109 VanDerWaalsContact C-N 3.29Å; D107-W109 PolarHBondContact O-N 2.69Å; W109-I111 PolarHBondContact O-N 2.7Å; W109-A112 PolarHBondContact O-N 3.44Å; W109-F113 HydrophobicContact CH2-CB 4.27Å; W109-F113 HydrophobicContact CH2-CD1 4.04Å; W109-F113 HydrophobicContact CH2-CG 4.04Å; W109-F113 HydrophobicContact CZ2-CB 4.41Å; W109-F113 HydrophobicContact CZ2-CD2 4.46Å; W109-F113 HydrophobicContact CZ2-CG 4.29Å; W109-F113 HydrophobicContact CZ3-CB 4.33Å; W109-F113 HydrophobicContact CZ3-CD1 4.36Å; W109-F113 HydrophobicContact CZ3-CG 4.46Å; W109-F113 WeakPolarHBondContact O-CB 3.43Å; W109-F113 PolarHBondContact O-N 3.18Å; W109-A173 HydrophobicContact CB-CB 4.26Å; W109-G177 VanDerWaalsContact CD1-CA 3.41Å; W109-G177 VanDerWaalsContact CD1-N 3.25Å; W109-W181 VanDerWaalsContact CE2-O 3.31Å; W109-W181 VanDerWaalsContact CZ2-O 3.31Å; W109-W181 WeakPolarHBondContact CZ2-O 3.32Å; W109-W181 PolarHBondContact NE1-O 3.36Å; W109-V183 HydrophobicContact CB-CG2 4.21Å; W109-V183 HydrophobicContact CD2-CG2 3.39Å; W109-V183 HydrophobicContact CE3-CG2 3.78Å; W109-V183 HydrophobicContact CG-CG2 3.56Å; W109-V183 HydrophobicContact CZ2-CG2 4.33Å; W109-V183 HydrophobicContact CZ3-CG2 4.42Å
110	K	85.7	Confident	92	Very high	8 Å²	8	10 Å²	10	4%	0.035	5%	0.05	C	C	.	.	H	α-helix	trans	-62.4	-43.9	-179.6	-72.4	168.2	-172.2	157.1	0	111.4	L106 D107 F113 A114 L394 W620 T622	L106-K110 HydrophobicContact CD1-CG 4.36Å; L106-K110 HydrophobicContact CG-CD 4.29Å; L106-K110 VanDerWaalsContact CG-CE 3.47Å; L106-K110 HydrophobicContact CG-CG 4.5Å; L106-K110 VanDerWaalsContact O-CG 3.29Å; L106-K110 WeakPolarHBondContact O-CG 3.42Å; L106-K110 PolarHBondContact O-N 3.18Å; D107-K110 PolarHBondContact O-N 3.13Å; D107-K110 IonicContact OD1-NZ 2.67Å; D107-K110 PolarHBondContact OD1-NZ 3.37Å; K110-F113 PolarHBondContact O-N 3.25Å; K110-A114 WeakPolarHBondContact O-CB 3.49Å; K110-A114 PolarHBondContact O-N 3.39Å; K110-L394 HydrophobicContact CB-CD1 3.9Å; K110-L394 HydrophobicContact CB-CD2 3.89Å; K110-L394 HydrophobicContact CD-CD1 3.93Å; K110-W620 HydrophobicContact CG-CZ3 4.44Å; K110-T622 HydrophobicContact CD-CG2 3.98Å
111	I	90.7	Very high	91.8	Very high	2 Å²	2	10 Å²	10	1%	0.01	5%	0.05	C	C	.	.	H	α-helix	trans	-59.8	-50.7	176.3	-69.4	166.5	0	0	0	109.7	F93 Q99 D107 W109 F113 A114 N115 T398	F93-I111 HydrophobicContact CB-CG2 3.79Å; F93-I111 HydrophobicContact CD1-CB 4.4Å; F93-I111 HydrophobicContact CD1-CG1 3.82Å; F93-I111 HydrophobicContact CD1-CG2 4.07Å; F93-I111 HydrophobicContact CD2-CG2 3.98Å; F93-I111 HydrophobicContact CE1-CG1 4.23Å; F93-I111 HydrophobicContact CG-CB 4.5Å; F93-I111 HydrophobicContact CG-CG1 4.31Å; F93-I111 HydrophobicContact CG-CG2 3.69Å; Q99-I111 HydrophobicContact CG-CD1 3.81Å; D107-I111 VanDerWaalsContact O-CG1 3.28Å; D107-I111 WeakPolarHBondContact O-CG1 3.19Å; D107-I111 PolarHBondContact O-N 3.39Å; W109-I111 PolarHBondContact O-N 2.7Å; I111-F113 VanDerWaalsContact C-N 3.33Å; I111-F113 PolarHBondContact O-N 3.42Å; I111-A114 PolarHBondContact O-N 2.66Å; I111-N115 WeakPolarHBondContact O-CB 3.47Å; I111-N115 PolarHBondContact O-N 2.82Å; I111-T398 HydrophobicContact CD1-CG2 3.9Å; I111-T398 HydrophobicContact CG1-CG2 3.99Å
112	A	92.7	Very high	91.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-61.9	-41.1	-179.6	0	0	0	0	0	111.8	V108 W109 N115 G116 Y174 I178	V108-A112 VanDerWaalsContact O-CB 3.3Å; V108-A112 WeakPolarHBondContact O-CB 3.4Å; V108-A112 PolarHBondContact O-N 2.87Å; W109-A112 PolarHBondContact O-N 3.44Å; A112-N115 PolarHBondContact O-N 3.04Å; A112-G116 PolarHBondContact O-N 3.04Å; A112-Y174 HydrophobicContact CB-CD2 3.72Å; A112-Y174 HydrophobicContact CB-CE2 4.1Å; A112-Y174 HydrophobicContact CB-CG 4.04Å; A112-Y174 WeakPolarHBondContact CB-O 3.35Å; A112-I178 HydrophobicContact CB-CB 4.21Å; A112-I178 WeakPolarHBondContact O-CA 3.49Å; A112-I178 VanDerWaalsContact O-CD1 3.24Å; A112-I178 WeakPolarHBondContact O-CD1 3.34Å
113	F	89.1	Confident	91.4	Very high	3 Å²	3	12.1 Å²	12.1	1%	0.013	6%	0.058	C	C	.	.	H	α-helix	trans	-64.7	-44.8	176.2	-175.9	-115.4	0	0	0	112.7	W109 K110 I111 N115 G116 L117 G177 L205 I617 W620	W109-F113 HydrophobicContact CH2-CB 4.27Å; W109-F113 HydrophobicContact CH2-CD1 4.04Å; W109-F113 HydrophobicContact CH2-CG 4.04Å; W109-F113 HydrophobicContact CZ2-CB 4.41Å; W109-F113 HydrophobicContact CZ2-CD2 4.46Å; W109-F113 HydrophobicContact CZ2-CG 4.29Å; W109-F113 HydrophobicContact CZ3-CB 4.33Å; W109-F113 HydrophobicContact CZ3-CD1 4.36Å; W109-F113 HydrophobicContact CZ3-CG 4.46Å; W109-F113 WeakPolarHBondContact O-CB 3.43Å; W109-F113 PolarHBondContact O-N 3.18Å; K110-F113 PolarHBondContact O-N 3.25Å; I111-F113 VanDerWaalsContact C-N 3.33Å; I111-F113 PolarHBondContact O-N 3.42Å; F113-N115 VanDerWaalsContact C-N 3.34Å; F113-N115 PolarHBondContact O-N 3.02Å; F113-G116 PolarHBondContact O-N 3.23Å; F113-G116 VanDerWaalsContact O-N 3.12Å; F113-L117 HydrophobicContact CD1-CD1 4.11Å; F113-L117 HydrophobicContact CE1-CD1 3.71Å; F113-L117 HydrophobicContact CE1-CG 4.31Å; F113-L117 HydrophobicContact CE2-CD2 4.49Å; F113-L117 HydrophobicContact CE2-CG 4.48Å; F113-L117 HydrophobicContact CZ-CD1 4.04Å; F113-L117 HydrophobicContact CZ-CD2 4.21Å; F113-L117 HydrophobicContact CZ-CG 4.23Å; F113-L117 WeakPolarHBondContact O-CG 3.19Å; F113-L117 PolarHBondContact O-N 2.88Å; F113-G177 VanDerWaalsContact CA-O 3.25Å; F113-G177 WeakPolarHBondContact CA-O 3.27Å; F113-G177 WeakPolarHBondContact CD2-O 3.46Å; F113-L205 HydrophobicContact CD2-CD2 3.83Å; F113-L205 HydrophobicContact CE2-CD2 3.82Å; F113-I617 HydrophobicContact CZ-CG2 4.02Å; F113-W620 AromaticContact CD1-CH2 3.69Å; F113-W620 HydrophobicContact CD1-CH2 3.69Å; F113-W620 AromaticContact CD1-CZ2 3.66Å; F113-W620 HydrophobicContact CD1-CZ2 3.66Å; F113-W620 HydrophobicContact CE1-CH2 4.04Å; F113-W620 AromaticContact CE1-CZ2 3.49Å; F113-W620 HydrophobicContact CE1-CZ2 3.49Å; F113-W620 VanDerWaalsContact CE1-CZ2 3.49Å
114	A	88.7	Confident	91.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-58.7	-46.4	174.4	0	0	0	0	0	111.4	F93 K110 I111 G116 L117 E118 L394	F93-A114 HydrophobicContact CE2-CB 4.02Å; F93-A114 HydrophobicContact CZ-CB 3.71Å; K110-A114 WeakPolarHBondContact O-CB 3.49Å; K110-A114 PolarHBondContact O-N 3.39Å; I111-A114 PolarHBondContact O-N 2.66Å; A114-G116 VanDerWaalsContact C-N 3.3Å; A114-G116 PolarHBondContact O-N 3.29Å; A114-L117 PolarHBondContact O-N 3.49Å; A114-E118 WeakPolarHBondContact O-CG 3.49Å; A114-E118 PolarHBondContact O-N 2.71Å; A114-E118 VanDerWaalsContact O-N 3.09Å; A114-L394 HydrophobicContact CB-CD2 4.04Å
115	N	92.1	Very high	91.3	Very high	11 Å²	11	15.6 Å²	15.6	6%	0.059	7%	0.074	C	C	.	.	H	α-helix	trans	-57.6	-43.1	173.6	-75.6	-19	0	0	0	111.7	F93 I111 A112 F113 L117 E118 M119 I178	F93-N115 WeakPolarHBondContact CD2-OD1 3.48Å; F93-N115 VanDerWaalsContact CE2-OD1 3.27Å; F93-N115 WeakPolarHBondContact CE2-OD1 3.47Å; I111-N115 WeakPolarHBondContact O-CB 3.47Å; I111-N115 PolarHBondContact O-N 2.82Å; A112-N115 PolarHBondContact O-N 3.04Å; F113-N115 VanDerWaalsContact C-N 3.34Å; F113-N115 PolarHBondContact O-N 3.02Å; N115-L117 PolarHBondContact O-N 3.48Å; N115-E118 PolarHBondContact O-N 3.1Å; N115-M119 WeakPolarHBondContact O-CB 3.18Å; N115-M119 WeakPolarHBondContact O-CG 3.43Å; N115-M119 PolarHBondContact O-N 3.43Å; N115-I178 HydrophobicContact CB-CD1 3.96Å
116	G	92	Very high	91.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.6	-43.1	179.1	0	0	0	0	0	112.3	A112 F113 A114 M119 R120 V206	A112-G116 PolarHBondContact O-N 3.04Å; F113-G116 PolarHBondContact O-N 3.23Å; F113-G116 VanDerWaalsContact O-N 3.12Å; A114-G116 VanDerWaalsContact C-N 3.3Å; A114-G116 PolarHBondContact O-N 3.29Å; G116-M119 PolarHBondContact O-N 3.4Å; G116-R120 WeakPolarHBondContact O-CB 3.18Å; G116-R120 PolarHBondContact O-N 2.96Å; G116-V206 WeakPolarHBondContact O-CG2 3.24Å
117	L	91	Very high	91.8	Very high	13 Å²	13	13.8 Å²	13.8	7%	0.068	7%	0.065	C	C	.	.	H	α-helix	trans	-62.9	-47.2	177.2	-70.3	173.7	0	0	0	111.4	F113 A114 N115 R120 A121 L205 L380	F113-L117 HydrophobicContact CD1-CD1 4.11Å; F113-L117 HydrophobicContact CE1-CD1 3.71Å; F113-L117 HydrophobicContact CE1-CG 4.31Å; F113-L117 HydrophobicContact CE2-CD2 4.49Å; F113-L117 HydrophobicContact CE2-CG 4.48Å; F113-L117 HydrophobicContact CZ-CD1 4.04Å; F113-L117 HydrophobicContact CZ-CD2 4.21Å; F113-L117 HydrophobicContact CZ-CG 4.23Å; F113-L117 WeakPolarHBondContact O-CG 3.19Å; F113-L117 PolarHBondContact O-N 2.88Å; A114-L117 PolarHBondContact O-N 3.49Å; N115-L117 PolarHBondContact O-N 3.48Å; L117-R120 PolarHBondContact O-N 2.9Å; L117-A121 VanDerWaalsContact O-CB 3.28Å; L117-A121 WeakPolarHBondContact O-CB 3.27Å; L117-A121 PolarHBondContact O-N 2.9Å; L117-L205 HydrophobicContact CD2-CD1 4.07Å; L117-L205 HydrophobicContact CD2-CD2 4.14Å; L117-L205 HydrophobicContact CG-CD2 4.2Å; L117-L380 HydrophobicContact CD2-CD1 3.79Å; L117-L380 HydrophobicContact CD2-CD2 4.38Å
118	E	92.7	Very high	92	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-63.8	-41.7	178.4	-67.8	-165	-172.9	0	0	112.4	C90 T91 A114 N115 K122 V386 K387 H391	C90-E118 WeakPolarHBondContact CA-OE2 3.45Å; C90-E118 WeakPolarHBondContact CB-OE2 3.11Å; T91-E118 VanDerWaalsContact CB-OE1 3.31Å; T91-E118 WeakPolarHBondContact CB-OE1 3.46Å; T91-E118 PolarHBondContact N-OE1 2.91Å; T91-E118 PolarHBondContact N-OE2 3.18Å; T91-E118 PolarHBondContact OG1-OE1 3.46Å; A114-E118 WeakPolarHBondContact O-CG 3.49Å; A114-E118 PolarHBondContact O-N 2.71Å; A114-E118 VanDerWaalsContact O-N 3.09Å; N115-E118 PolarHBondContact O-N 3.1Å; E118-K122 WeakPolarHBondContact O-CG 3.39Å; E118-K122 PolarHBondContact O-N 3.44Å; E118-V386 HydrophobicContact CB-CG2 4.07Å; E118-V386 HydrophobicContact CG-CG2 4.16Å; E118-K387 PolarHBondContact OE1-N 3.44Å; E118-K387 VanDerWaalsContact OE1-N 3.07Å; E118-H391 IonicContact OE1-CE1 2.71Å; E118-H391 IonicContact OE1-CG 3.25Å; E118-H391 IonicContact OE1-ND1 3.95Å; E118-H391 PolarHBondContact OE1-ND1 2.74Å
119	M	93.1	Very high	92.2	Very high	15 Å²	15	26.5 Å²	26.5	7%	0.074	12%	0.124	C	C	.	.	H	α-helix	trans	-65.1	-46.6	177	-73.8	-179	67.9	0	0	111.7	T83 N115 G116 A121 K122 W123 V140 I178 V206	T83-M119 HydrophobicContact CG2-CE 3.47Å; T83-M119 VanDerWaalsContact CG2-CE 3.47Å; N115-M119 WeakPolarHBondContact O-CB 3.18Å; N115-M119 WeakPolarHBondContact O-CG 3.43Å; N115-M119 PolarHBondContact O-N 3.43Å; G116-M119 PolarHBondContact O-N 3.4Å; M119-A121 VanDerWaalsContact C-N 3.35Å; M119-A121 PolarHBondContact O-N 3.19Å; M119-K122 PolarHBondContact O-N 2.74Å; M119-W123 WeakPolarHBondContact O-CB 3.29Å; M119-W123 PolarHBondContact O-N 3.33Å; M119-V140 HydrophobicContact CE-CB 3.87Å; M119-V140 HydrophobicContact CE-CG2 4.03Å; M119-V140 HydrophobicContact SD-CB 4.4Å; M119-V140 HydrophobicContact SD-CG2 4.25Å; M119-I178 HydrophobicContact SD-CD1 4.36Å; M119-V206 HydrophobicContact CB-CG2 3.92Å; M119-V206 HydrophobicContact CE-CG1 4.05Å; M119-V206 HydrophobicContact SD-CG1 4.37Å
120	R	92.3	Very high	92.3	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.015	15%	0.15	C	C	.	.	H	α-helix	trans	-64	-40.1	178.3	-173.6	56.2	167.8	-130.8	10.9	112	G116 L117 W123 N124 L204 L205 V206 E366 D375 L380	G116-R120 WeakPolarHBondContact O-CB 3.18Å; G116-R120 PolarHBondContact O-N 2.96Å; L117-R120 PolarHBondContact O-N 2.9Å; R120-W123 WeakPolarHBondContact O-CB 3.45Å; R120-W123 PolarHBondContact O-N 3.36Å; R120-N124 PolarHBondContact O-N 3.15Å; R120-N124 PolarHBondContact O-ND2 3.37Å; R120-N124 PolarHBondContact O-OD1 2.87Å; R120-L204 PolarHBondContact NH1-O 3.34Å; R120-L205 HydrophobicContact CB-CD1 3.61Å; R120-L205 HydrophobicContact CB-CG 4.47Å; R120-L205 HydrophobicContact CG-CD1 3.89Å; R120-L205 PolarHBondContact NH1-O 3.37Å; R120-V206 HydrophobicContact CB-CG2 4.34Å; R120-E366 PolarHBondContact NH1-O 3.27Å; R120-E366 PolarHBondContact NH2-O 3.06Å; R120-D375 IonicContact CZ-OD2 3.35Å; R120-D375 IonicContact NE-OD2 3.1Å; R120-D375 IonicContact NH2-OD1 3.6Å; R120-D375 PolarHBondContact NH2-OD1 2.96Å; R120-D375 IonicContact NH2-OD2 3.96Å; R120-D375 PolarHBondContact NH2-OD2 2.97Å; R120-L380 HydrophobicContact CB-CD1 4.12Å; R120-L380 HydrophobicContact CG-CD1 4.04Å
121	A	93.8	Very high	92.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61	-45.7	174.5	0	0	0	0	0	112.2	L117 M119 N124 Q125 L380 P382 V385	L117-A121 VanDerWaalsContact O-CB 3.28Å; L117-A121 WeakPolarHBondContact O-CB 3.27Å; L117-A121 PolarHBondContact O-N 2.9Å; M119-A121 VanDerWaalsContact C-N 3.35Å; M119-A121 PolarHBondContact O-N 3.19Å; A121-N124 PolarHBondContact O-N 2.95Å; A121-Q125 PolarHBondContact O-N 3.43Å; A121-L380 HydrophobicContact CB-CB 3.97Å; A121-P382 HydrophobicContact CB-CG 4.29Å; A121-P382 WeakPolarHBondContact O-CD 3.28Å; A121-P382 WeakPolarHBondContact O-CG 3.45Å; A121-V385 HydrophobicContact CB-CG2 3.39Å
122	K	93.9	Very high	92.8	Very high	29 Å²	29	32.8 Å²	32.8	13%	0.126	16%	0.159	C	C	.	.	H	α-helix	trans	-61.4	-44.8	175	-75.1	-174.9	-64.9	-167.5	0	111.6	Q87 L89 E118 M119 N124 Q125 F126 P382 V386	Q87-K122 PolarHBondContact O-NZ 2.92Å; L89-K122 PolarHBondContact O-NZ 3.09Å; L89-K122 VanDerWaalsContact O-NZ 3.15Å; E118-K122 WeakPolarHBondContact O-CG 3.39Å; E118-K122 PolarHBondContact O-N 3.44Å; M119-K122 PolarHBondContact O-N 2.74Å; K122-N124 PolarHBondContact O-N 3.11Å; K122-Q125 PolarHBondContact O-N 3.09Å; K122-F126 HydrophobicContact CB-CD2 4.25Å; K122-F126 HydrophobicContact CB-CE2 3.77Å; K122-F126 HydrophobicContact CB-CZ 4.34Å; K122-F126 WeakPolarHBondContact O-CD2 3.4Å; K122-F126 VanDerWaalsContact O-CG 3.25Å; K122-F126 WeakPolarHBondContact O-CG 3.3Å; K122-F126 PolarHBondContact O-N 2.68Å; K122-P382 HydrophobicContact CG-CG 4.45Å; K122-V386 HydrophobicContact CG-CG2 4.25Å
123	W	93.9	Very high	92.8	Very high	19 Å²	19	41.1 Å²	41.1	7%	0.072	19%	0.191	C	C	.	.	H	α-helix	trans	-56.5	-45.8	175.2	167.2	-100.2	0	0	0	113.1	Y79 M119 R120 Q125 F126 S127 Y132 T136 I138	Y79-W123 HydrophobicContact CD2-CH2 4.37Å; M119-W123 WeakPolarHBondContact O-CB 3.29Å; M119-W123 PolarHBondContact O-N 3.33Å; R120-W123 WeakPolarHBondContact O-CB 3.45Å; R120-W123 PolarHBondContact O-N 3.36Å; W123-Q125 VanDerWaalsContact C-N 3.26Å; W123-Q125 PolarHBondContact O-N 3.33Å; W123-F126 PolarHBondContact O-N 2.9Å; W123-S127 VanDerWaalsContact O-CB 3.29Å; W123-S127 WeakPolarHBondContact O-CB 3.26Å; W123-S127 PolarHBondContact O-N 3.23Å; W123-Y132 AromaticContact CH2-CD1 3.76Å; W123-Y132 HydrophobicContact CH2-CD1 3.76Å; W123-Y132 AromaticContact CH2-CE1 3.5Å; W123-Y132 HydrophobicContact CH2-CE1 3.5Å; W123-Y132 VanDerWaalsContact CH2-CE1 3.5Å; W123-Y132 HydrophobicContact CZ2-CE1 4.18Å; W123-Y132 AromaticContact CZ3-CD1 3.96Å; W123-Y132 HydrophobicContact CZ3-CD1 3.96Å; W123-Y132 HydrophobicContact CZ3-CE1 4.06Å; W123-T136 VanDerWaalsContact CZ3-O 3.3Å; W123-T136 WeakPolarHBondContact CZ3-O 3.43Å; W123-I138 HydrophobicContact CB-CG2 3.27Å; W123-I138 HydrophobicContact CD2-CD1 4.36Å; W123-I138 HydrophobicContact CD2-CG1 4.12Å; W123-I138 HydrophobicContact CD2-CG2 3.83Å; W123-I138 HydrophobicContact CE3-CG1 4.45Å; W123-I138 HydrophobicContact CE3-CG2 4.26Å; W123-I138 HydrophobicContact CG-CB 4.47Å; W123-I138 HydrophobicContact CG-CD1 4.38Å; W123-I138 HydrophobicContact CG-CG1 4.36Å; W123-I138 HydrophobicContact CG-CG2 3.36Å
124	N	93.6	Very high	92.8	Very high	15 Å²	15	42.7 Å²	42.7	8%	0.08	20%	0.199	C	C	.	.	H	α-helix	trans	-56.3	-45	178.3	-68	-17.6	0	0	0	110.8	R120 A121 K122 Q128 Y377 A378 L380	R120-N124 PolarHBondContact O-N 3.15Å; R120-N124 PolarHBondContact O-ND2 3.37Å; R120-N124 PolarHBondContact O-OD1 2.87Å; A121-N124 PolarHBondContact O-N 2.95Å; K122-N124 PolarHBondContact O-N 3.11Å; N124-Q128 WeakPolarHBondContact O-CB 3.44Å; N124-Q128 WeakPolarHBondContact O-CG 3.3Å; N124-Q128 PolarHBondContact O-N 3.37Å; N124-Q128 VanDerWaalsContact O-N 3.1Å; N124-Y377 PolarHBondContact ND2-O 3.15Å; N124-A378 PolarHBondContact ND2-O 3.35Å; N124-L380 PolarHBondContact ND2-O 3.13Å
125	Q	94.9	Very high	92.8	Very high	80 Å²	80	44.4 Å²	44.4	37%	0.374	21%	0.209	S	C	.	.	H	α-helix	trans	-65.2	-47.2	176.5	-174.5	-180	-63.3	0	0	112.2	A121 K122 W123 Q128 Q129 P382	A121-Q125 PolarHBondContact O-N 3.43Å; K122-Q125 PolarHBondContact O-N 3.09Å; W123-Q125 VanDerWaalsContact C-N 3.26Å; W123-Q125 PolarHBondContact O-N 3.33Å; Q125-Q128 PolarHBondContact O-N 2.64Å; Q125-Q129 VanDerWaalsContact O-CG 3.27Å; Q125-Q129 WeakPolarHBondContact O-CG 3.34Å; Q125-Q129 PolarHBondContact O-N 3.26Å; Q125-Q129 VanDerWaalsContact O-N 3.1Å; Q125-P382 HydrophobicContact CB-CG 4.11Å
126	F	94.3	Very high	92.8	Very high	44 Å²	44	44.5 Å²	44.5	19%	0.193	21%	0.21	C	C	.	.	H	α-helix	trans	-63.4	-44.4	179.9	-62.6	-39.3	0	0	0	112.2	K122 W123 Q128 Q129 N130 N131 T136	K122-F126 HydrophobicContact CB-CD2 4.25Å; K122-F126 HydrophobicContact CB-CE2 3.77Å; K122-F126 HydrophobicContact CB-CZ 4.34Å; K122-F126 WeakPolarHBondContact O-CD2 3.4Å; K122-F126 VanDerWaalsContact O-CG 3.25Å; K122-F126 WeakPolarHBondContact O-CG 3.3Å; K122-F126 PolarHBondContact O-N 2.68Å; W123-F126 PolarHBondContact O-N 2.9Å; F126-Q128 PolarHBondContact O-N 2.87Å; F126-Q129 CarbonylContact O-C 3.36Å; F126-Q129 WeakPolarHBondContact O-CA 3.32Å; F126-Q129 PolarHBondContact O-N 3.48Å; F126-Q129 VanDerWaalsContact O-N 3.08Å; F126-N130 PolarHBondContact O-N 3.23Å; F126-N130 VanDerWaalsContact O-N 3.11Å; F126-N131 HydrophobicContact CB-CB 4.26Å; F126-N131 PolarHBondContact O-N 3.21Å; F126-T136 VanDerWaalsContact CD2-CB 3.48Å; F126-T136 HydrophobicContact CD2-CG2 3.92Å; F126-T136 HydrophobicContact CE2-CG2 4Å; F126-T136 HydrophobicContact CG-CG2 4.2Å; F126-T136 HydrophobicContact CZ-CG2 4.38Å
127	S	92.4	Very high	92.9	Very high	21 Å²	21	44.7 Å²	44.7	15%	0.147	21%	0.212	C	C	.	.	H	α-helix	trans	-63.2	-39.9	178.3	-174.3	0	0	0	0	111.9	W123 Q129 N130 Y132	W123-S127 VanDerWaalsContact O-CB 3.29Å; W123-S127 WeakPolarHBondContact O-CB 3.26Å; W123-S127 PolarHBondContact O-N 3.23Å; S127-Q129 VanDerWaalsContact C-N 3.27Å; S127-Q129 PolarHBondContact O-N 2.82Å; S127-N130 PolarHBondContact O-N 2.8Å; S127-N130 VanDerWaalsContact O-N 3.09Å; S127-Y132 PolarHBondContact OG-OH 3.08Å
128	Q	92.7	Very high	93	Very high	149 Å²	149	44.2 Å²	44.2	70%	0.696	21%	0.209	S	C	*	.	H	α-helix	trans	-62.1	-35.1	172.7	-74.9	171.4	15.7	0	0	112.3	N124 Q125 F126 N130	N124-Q128 WeakPolarHBondContact O-CB 3.44Å; N124-Q128 WeakPolarHBondContact O-CG 3.3Å; N124-Q128 PolarHBondContact O-N 3.37Å; N124-Q128 VanDerWaalsContact O-N 3.1Å; Q125-Q128 PolarHBondContact O-N 2.64Å; F126-Q128 PolarHBondContact O-N 2.87Å; Q128-N130 PolarHBondContact O-N 3.26Å
129	Q	95.4	Very high	93	Very high	119 Å²	119	44.2 Å²	44.2	56%	0.556	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	4	176.2	-66.5	170.3	-3.1	0	0	113.4	Q125 F126 S127 N131	Q125-Q129 VanDerWaalsContact O-CG 3.27Å; Q125-Q129 WeakPolarHBondContact O-CG 3.34Å; Q125-Q129 PolarHBondContact O-N 3.26Å; Q125-Q129 VanDerWaalsContact O-N 3.1Å; F126-Q129 CarbonylContact O-C 3.36Å; F126-Q129 WeakPolarHBondContact O-CA 3.32Å; F126-Q129 PolarHBondContact O-N 3.48Å; F126-Q129 VanDerWaalsContact O-N 3.08Å; S127-Q129 VanDerWaalsContact C-N 3.27Å; S127-Q129 PolarHBondContact O-N 2.82Å; Q129-N131 HydrophobicContact CB-CB 4.43Å; Q129-N131 PolarHBondContact O-N 2.73Å
130	N	93.9	Very high	93.1	Very high	116 Å²	116	43.5 Å²	43.5	62%	0.62	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	31.9	-173.3	-163	59.7	0	0	0	113	F126 S127 Q128 Y132	F126-N130 PolarHBondContact O-N 3.23Å; F126-N130 VanDerWaalsContact O-N 3.11Å; S127-N130 PolarHBondContact O-N 2.8Å; S127-N130 VanDerWaalsContact O-N 3.09Å; Q128-N130 PolarHBondContact O-N 3.26Å; N130-Y132 WeakPolarHBondContact OD1-CE2 3.43Å
131	N	94	Very high	93.2	Very high	38 Å²	38	43.6 Å²	43.6	20%	0.203	21%	0.206	C	C	.	.			trans	-98	111.7	178.2	-178.3	15.9	0	0	0	109.9	F126 Q129 R133 T136	F126-N131 HydrophobicContact CB-CB 4.26Å; F126-N131 PolarHBondContact O-N 3.21Å; Q129-N131 HydrophobicContact CB-CB 4.43Å; Q129-N131 PolarHBondContact O-N 2.73Å; N131-R133 WeakPolarHBondContact OD1-CB 3.49Å; N131-R133 VanDerWaalsContact OD1-CG 3.28Å; N131-R133 WeakPolarHBondContact OD1-CG 3.31Å; N131-R133 PolarHBondContact OD1-N 3.36Å; N131-T136 PolarHBondContact O-OG1 3.14Å
132	Y	93.1	Very high	93.3	Very high	12 Å²	12	43.6 Å²	43.6	5%	0.047	21%	0.206	C	C	.	.			trans	-125.1	30.3	178.8	-59.7	-86.1	0	0	0	111.4	P67 K77 P78 Q80 W123 S127 N130 T136	P67-Y132 WeakPolarHBondContact CD-O 3.37Å; K77-Y132 WeakPolarHBondContact CD-OH 3.2Å; P78-Y132 HydrophobicContact CB-CD1 4.49Å; P78-Y132 HydrophobicContact CB-CD2 3.93Å; P78-Y132 HydrophobicContact CB-CE2 4.35Å; P78-Y132 HydrophobicContact CB-CG 4.02Å; P78-Y132 HydrophobicContact CG-CD2 4.03Å; P78-Y132 HydrophobicContact CG-CE2 4.15Å; P78-Y132 WeakPolarHBondContact O-CD1 3.18Å; P78-Y132 WeakPolarHBondContact O-CE1 3.43Å; Q80-Y132 PolarHBondContact NE2-O 3.16Å; W123-Y132 AromaticContact CH2-CD1 3.76Å; W123-Y132 HydrophobicContact CH2-CD1 3.76Å; W123-Y132 AromaticContact CH2-CE1 3.5Å; W123-Y132 HydrophobicContact CH2-CE1 3.5Å; W123-Y132 VanDerWaalsContact CH2-CE1 3.5Å; W123-Y132 HydrophobicContact CZ2-CE1 4.18Å; W123-Y132 AromaticContact CZ3-CD1 3.96Å; W123-Y132 HydrophobicContact CZ3-CD1 3.96Å; W123-Y132 HydrophobicContact CZ3-CE1 4.06Å; S127-Y132 PolarHBondContact OG-OH 3.08Å; N130-Y132 WeakPolarHBondContact OD1-CE2 3.43Å; Y132-T136 WeakPolarHBondContact CA-OG1 3.47Å
133	R	91.1	Very high	93.4	Very high	175 Å²	175	42.2 Å²	42.2	66%	0.66	20%	0.2	S	C	*	.			trans	-65.1	168	177	-69.9	177.1	179.7	-176	0.8	110.7	Q80 N131 N135 T136	Q80-R133 WeakPolarHBondContact CG-O 3.47Å; Q80-R133 PolarHBondContact NE2-O 3.22Å; N131-R133 WeakPolarHBondContact OD1-CB 3.49Å; N131-R133 VanDerWaalsContact OD1-CG 3.28Å; N131-R133 WeakPolarHBondContact OD1-CG 3.31Å; N131-R133 PolarHBondContact OD1-N 3.36Å; R133-N135 PolarHBondContact O-N 3.31Å; R133-T136 HydrophobicContact CB-CG2 4.38Å; R133-T136 PolarHBondContact N-OG1 3.21Å; R133-T136 PolarHBondContact O-N 3.19Å; R133-T136 PolarHBondContact O-OG1 3.31Å
134	D	90.3	Very high	93.6	Very high	35 Å²	35	41.5 Å²	41.5	19%	0.187	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.5	138.5	172.8	-174.6	34.9	0	0	0	112.2	T64 Y65 R82 T136	T64-D134 WeakPolarHBondContact O-CB 3.49Å; T64-D134 PolarHBondContact O-N 3.32Å; Y65-D134 HydrophobicContact CD2-CB 4.35Å; R82-D134 WeakPolarHBondContact CD-OD1 3.47Å; R82-D134 WeakPolarHBondContact CG-OD1 3.44Å; R82-D134 IonicContact CZ-OD1 3.48Å; R82-D134 IonicContact CZ-OD2 3.28Å; R82-D134 IonicContact NE-OD1 2.72Å; R82-D134 IonicContact NH1-OD1 3.99Å; R82-D134 PolarHBondContact NH1-OD1 3.08Å; R82-D134 IonicContact NH1-OD2 2.79Å; R82-D134 PolarHBondContact NH1-OD2 3.1Å; D134-T136 VanDerWaalsContact C-N 3.26Å; D134-T136 PolarHBondContact O-N 2.92Å
135	N	89.3	Confident	93.7	Very high	37 Å²	37	40.8 Å²	40.8	20%	0.198	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	13.3	178.7	-45.9	-54.5	0	0	0	116.1	R82 Q87 R133	R82-N135 WeakPolarHBondContact O-CA 3.26Å; R82-N135 PolarHBondContact O-N 2.78Å; Q87-N135 HydrophobicContact CB-CB 4.44Å; Q87-N135 PolarHBondContact NE2-OD1 2.85Å; Q87-N135 PolarHBondContact OE1-OD1 3.11Å; R133-N135 PolarHBondContact O-N 3.31Å
136	T	92	Very high	93.9	Very high	13 Å²	13	37.1 Å²	37.1	8%	0.08	18%	0.177	C	C	.	.			trans	-106.8	22	176	75.3	0	0	0	0	112.8	W123 F126 N131 Y132 R133 D134	W123-T136 VanDerWaalsContact CZ3-O 3.3Å; W123-T136 WeakPolarHBondContact CZ3-O 3.43Å; F126-T136 VanDerWaalsContact CD2-CB 3.48Å; F126-T136 HydrophobicContact CD2-CG2 3.92Å; F126-T136 HydrophobicContact CE2-CG2 4Å; F126-T136 HydrophobicContact CG-CG2 4.2Å; F126-T136 HydrophobicContact CZ-CG2 4.38Å; N131-T136 PolarHBondContact O-OG1 3.14Å; Y132-T136 WeakPolarHBondContact CA-OG1 3.47Å; R133-T136 HydrophobicContact CB-CG2 4.38Å; R133-T136 PolarHBondContact N-OG1 3.21Å; R133-T136 PolarHBondContact O-N 3.19Å; R133-T136 PolarHBondContact O-OG1 3.31Å; D134-T136 VanDerWaalsContact C-N 3.26Å; D134-T136 PolarHBondContact O-N 2.92Å
137	G	93.1	Very high	94	Very high	4 Å²	4	35.3 Å²	35.3	4%	0.041	17%	0.169	C	C	.	.	S	Bend	trans	-99.9	-178.9	-177.7	0	0	0	0	0	114.1	T83	T83-G137 WeakPolarHBondContact OG1-CA 3.32Å; T83-G137 PolarHBondContact OG1-N 2.91Å; T83-G137 PolarHBondContact OG1-O 3.17Å
138	I	93.6	Very high	94.3	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.015	16%	0.163	C	C	.	.	S	Bend	trans	-122.4	21.5	175.8	51.6	168.6	0	0	0	112.7	W123 V206 G207 E366	W123-I138 HydrophobicContact CB-CG2 3.27Å; W123-I138 HydrophobicContact CD2-CD1 4.36Å; W123-I138 HydrophobicContact CD2-CG1 4.12Å; W123-I138 HydrophobicContact CD2-CG2 3.83Å; W123-I138 HydrophobicContact CE3-CG1 4.45Å; W123-I138 HydrophobicContact CE3-CG2 4.26Å; W123-I138 HydrophobicContact CG-CB 4.47Å; W123-I138 HydrophobicContact CG-CD1 4.38Å; W123-I138 HydrophobicContact CG-CG1 4.36Å; W123-I138 HydrophobicContact CG-CG2 3.36Å; I138-V206 HydrophobicContact CB-CG2 4.3Å; I138-V206 HydrophobicContact CG2-CG2 4.28Å; I138-V206 VanDerWaalsContact O-CG1 3.26Å; I138-V206 WeakPolarHBondContact O-CG1 2.92Å; I138-G207 PolarHBondContact O-N 3.29Å; I138-E366 HydrophobicContact CD1-CB 3.94Å; I138-E366 HydrophobicContact CD1-CG 4.18Å; I138-E366 WeakPolarHBondContact CD1-OE2 3.44Å; I138-E366 WeakPolarHBondContact CG1-OE2 3.4Å
139	N	92.9	Very high	94.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	113.2	162.4	-84.7	-91.5	0	0	0	108.7	Y79 W81 T83 V255 E366	Y79-N139 PolarHBondContact OH-ND2 3.47Å; W81-N139 WeakPolarHBondContact O-CB 3.15Å; T83-N139 WeakPolarHBondContact CB-O 3.16Å; T83-N139 PolarHBondContact N-O 3.47Å; N139-V255 WeakPolarHBondContact OD1-CG2 3.35Å; N139-E366 PolarHBondContact ND2-OE1 2.84Å; N139-E366 PolarHBondContact OD1-OE1 2.97Å
140	V	94.6	Very high	94.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	129.5	-178.7	73.2	0	0	0	0	110.5	T83 P85 M119 A142 Y174 I178 V206 G207 N209	T83-V140 CarbonylContact O-C 3.35Å; T83-V140 VanDerWaalsContact O-CA 3.31Å; T83-V140 WeakPolarHBondContact O-CA 3.39Å; P85-V140 HydrophobicContact CB-CG2 4.22Å; M119-V140 HydrophobicContact CE-CB 3.87Å; M119-V140 HydrophobicContact CE-CG2 4.03Å; M119-V140 HydrophobicContact SD-CB 4.4Å; M119-V140 HydrophobicContact SD-CG2 4.25Å; V140-A142 HydrophobicContact CG1-CB 4.35Å; V140-A142 HydrophobicContact CG2-CB 4.01Å; V140-A142 PolarHBondContact O-N 3.06Å; V140-Y174 HydrophobicContact CG1-CE1 4.41Å; V140-I178 HydrophobicContact CG1-CG1 3.96Å; V140-V206 HydrophobicContact CB-CG1 4.27Å; V140-V206 HydrophobicContact CG1-CG1 4.22Å; V140-G207 WeakPolarHBondContact CG1-O 3.42Å; V140-G207 PolarHBondContact N-O 3.45Å; V140-N209 VanDerWaalsContact O-CB 3.22Å; V140-N209 WeakPolarHBondContact O-CB 3.13Å; V140-N209 PolarHBondContact O-N 3.02Å; V140-N209 PolarHBondContact O-ND2 2.88Å
141	F	94.9	Very high	94.5	Very high	6 Å²	6	16.8 Å²	16.8	3%	0.026	8%	0.076	C	C	.	.			trans	-77.7	64.4	171.1	-65.8	-10.9	0	0	0	111	W81 R82 T83 N209 K211 M258 I291	W81-F141 WeakPolarHBondContact O-CE1 3.35Å; R82-F141 HydrophobicContact CB-CE2 4.11Å; R82-F141 HydrophobicContact CB-CZ 4.13Å; R82-F141 HydrophobicContact CG-CD2 4.33Å; R82-F141 HydrophobicContact CG-CE2 3.66Å; R82-F141 HydrophobicContact CG-CZ 4.2Å; T83-F141 PolarHBondContact O-N 3.45Å; F141-N209 HydrophobicContact CD1-CB 4.14Å; F141-K211 HydrophobicContact CB-CD 4.34Å; F141-K211 WeakPolarHBondContact O-CD 3.39Å; F141-K211 WeakPolarHBondContact O-CE 3.08Å; F141-K211 PolarHBondContact O-NZ 2.79Å; F141-M258 HydrophobicContact CB-CE 4.33Å; F141-M258 HydrophobicContact CD1-CE 4.09Å; F141-M258 HydrophobicContact CD2-CE 3.44Å; F141-M258 VanDerWaalsContact CD2-CE 3.44Å; F141-M258 HydrophobicContact CE1-CE 4.24Å; F141-M258 HydrophobicContact CE2-CE 3.58Å; F141-M258 HydrophobicContact CG-CE 3.71Å; F141-M258 HydrophobicContact CZ-CE 4Å; F141-I291 HydrophobicContact CE1-CD1 4.03Å; F141-I291 HydrophobicContact CZ-CD1 3.72Å
142	A	95.7	Very high	94.6	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.008	7%	0.071	C	C	.	.			trans	-160.5	155.4	179.5	0	0	0	0	0	110.6	P85 V140 Y174 N209	P85-A142 HydrophobicContact CG-CB 4.06Å; V140-A142 HydrophobicContact CG1-CB 4.35Å; V140-A142 HydrophobicContact CG2-CB 4.01Å; V140-A142 PolarHBondContact O-N 3.06Å; A142-Y174 HydrophobicContact CB-CE1 4.03Å; A142-Y174 VanDerWaalsContact CB-OH 3.22Å; A142-Y174 WeakPolarHBondContact CB-OH 3.4Å; A142-N209 CarbonylContact C-O 3.53Å; A142-N209 VanDerWaalsContact C-O 3.23Å; A142-N209 PolarHBondContact N-O 2.96Å; A142-N209 VanDerWaalsContact N-O 3.1Å; A142-N209 CarbonylContact O-C 3.53Å; A142-N209 PolarHBondContact O-N 3.18Å
143	P	96.6	Very high	94.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.069	C	C	.	.			cis	-86.8	158.1	5.5	30.8	-25.6	0	0	0	113.4	V145 Y160 A171 Y174 K211	P143-V145 HydrophobicContact CB-CG1 4.26Å; P143-V145 HydrophobicContact CG-CG1 3.76Å; P143-V145 PolarHBondContact O-N 3.37Å; P143-Y160 HydrophobicContact CB-CE2 3.89Å; P143-Y160 HydrophobicContact CG-CE2 4.39Å; P143-A171 HydrophobicContact CG-CB 4.27Å; P143-Y174 HydrophobicContact CB-CD1 3.95Å; P143-Y174 HydrophobicContact CB-CD2 4.39Å; P143-Y174 HydrophobicContact CB-CE1 4.3Å; P143-Y174 HydrophobicContact CB-CG 4.02Å; P143-Y174 VanDerWaalsContact CD-CD1 3.44Å; P143-Y174 HydrophobicContact CG-CD1 3.63Å; P143-Y174 HydrophobicContact CG-CE1 4.25Å; P143-Y174 HydrophobicContact CG-CG 3.96Å; P143-K211 PolarHBondContact O-N 3.28Å; P143-K211 VanDerWaalsContact O-N 3.12Å
144	T	96.4	Very high	94.9	Very high	3 Å²	3	6.9 Å²	6.9	2%	0.018	4%	0.037	C	C	.	.	B	Isolated β-bridge	trans	-77.7	106.6	165.5	-61	0	0	0	0	107.6	N146 E158 K211	T144-N146 HydrophobicContact CG2-CB 4.16Å; T144-E158 WeakPolarHBondContact CB-O 3.39Å; T144-E158 HydrophobicContact CG2-CB 4.14Å; T144-E158 PolarHBondContact OG1-OE2 3.45Å; T144-K211 WeakPolarHBondContact CA-O 3.41Å; T144-K211 WeakPolarHBondContact OG1-CE 3.37Å
145	V	97.5	Very high	95.1	Very high	1 Å²	1	5.3 Å²	5.3	1%	0.006	3%	0.029	C	C	.	.			trans	-102.1	5	-175.7	-57.6	0	0	0	0	113	P143 A171 C210 K211 A245 F246 C249	P143-V145 HydrophobicContact CB-CG1 4.26Å; P143-V145 HydrophobicContact CG-CG1 3.76Å; P143-V145 PolarHBondContact O-N 3.37Å; V145-A171 HydrophobicContact CG1-CB 3.57Å; V145-C210 HydrophobicContact CG2-CB 4.39Å; V145-K211 PolarHBondContact N-O 3.04Å; V145-A245 HydrophobicContact CB-CB 4.21Å; V145-F246 HydrophobicContact CG2-CD1 3.47Å; V145-F246 VanDerWaalsContact CG2-CD1 3.47Å; V145-F246 HydrophobicContact CG2-CD2 3.86Å; V145-F246 HydrophobicContact CG2-CE1 3.38Å; V145-F246 HydrophobicContact CG2-CE2 3.77Å; V145-F246 HydrophobicContact CG2-CG 3.71Å; V145-F246 HydrophobicContact CG2-CZ 3.52Å; V145-C249 HydrophobicContact CG1-CB 4.16Å
146	N	98	Very high	95.4	Very high	2 Å²	2	3.5 Å²	3.5	1%	0.011	2%	0.019	C	C	.	.			trans	-58.5	155.1	165.9	-62.3	116.8	0	0	0	110.6	T144 W153 T159 K211 H212 H216 S217	T144-N146 HydrophobicContact CG2-CB 4.16Å; N146-W153 HydrophobicContact CB-CH2 3.72Å; N146-W153 HydrophobicContact CB-CZ3 4.24Å; N146-T159 VanDerWaalsContact O-CB 3.29Å; N146-T159 WeakPolarHBondContact O-CB 3.34Å; N146-T159 WeakPolarHBondContact O-CG2 3.4Å; N146-K211 VanDerWaalsContact OD1-C 3.31Å; N146-K211 PolarHBondContact OD1-O 2.9Å; N146-K211 VanDerWaalsContact OD1-O 3.1Å; N146-H212 PolarHBondContact ND2-O 3.21Å; N146-H212 VanDerWaalsContact ND2-O 3.1Å; N146-H212 PolarHBondContact OD1-N 2.84Å; N146-H212 PolarHBondContact OD1-ND1 3.29Å; N146-H212 VanDerWaalsContact OD1-ND1 3.09Å; N146-H216 VanDerWaalsContact CB-O 3.28Å; N146-H216 WeakPolarHBondContact CB-O 3.04Å; N146-H216 PolarHBondContact ND2-N 3.28Å; N146-H216 PolarHBondContact ND2-O 2.93Å; N146-S217 WeakPolarHBondContact CB-OG 3.46Å
147	L	97.6	Very high	95.5	Very high	6 Å²	6	3.1 Å²	3.1	3%	0.031	2%	0.017	C	C	.	.			trans	-99.2	144.7	-175	-58.2	178.9	0	0	0	111.6	R149 W153 G161 P164 A167 S217 T241	L147-R149 PolarHBondContact O-N 2.99Å; L147-W153 VanDerWaalsContact O-CZ3 3.27Å; L147-W153 WeakPolarHBondContact O-CZ3 3.31Å; L147-G161 WeakPolarHBondContact CA-O 3.02Å; L147-P164 HydrophobicContact CD1-CB 4.38Å; L147-P164 HydrophobicContact CD1-CG 3.84Å; L147-A167 HydrophobicContact CD2-CB 3.74Å; L147-S217 PolarHBondContact N-OG 2.79Å; L147-S217 WeakPolarHBondContact O-CB 3.41Å; L147-S217 PolarHBondContact O-OG 3.06Å; L147-T241 HydrophobicContact CD1-CG2 3.59Å; L147-T241 WeakPolarHBondContact CD1-O 3.28Å
148	L	96.9	Very high	95.5	Very high	2 Å²	2	3.7 Å²	3.7	1%	0.01	2%	0.018	C	C	.	.			trans	-65.9	83.8	160.7	-168.3	163.7	0	0	0	108	I97 N156 G161 E162 F638	I97-L148 HydrophobicContact CD1-CD1 4.11Å; L148-N156 HydrophobicContact CD1-CB 3.86Å; L148-N156 HydrophobicContact CG-CB 4.03Å; L148-N156 WeakPolarHBondContact CG-OD1 3.49Å; L148-G161 PolarHBondContact N-O 3.44Å; L148-E162 WeakPolarHBondContact O-CA 3.24Å; L148-E162 WeakPolarHBondContact O-CB 3.35Å; L148-F638 HydrophobicContact CD1-CB 3.82Å; L148-F638 HydrophobicContact CD1-CD1 3.8Å; L148-F638 HydrophobicContact CD1-CG 3.86Å; L148-F638 HydrophobicContact CD2-CB 4.05Å; L148-F638 HydrophobicContact CG-CB 4.42Å
149	R	95.2	Very high	95.6	Very high	6 Å²	6	3.5 Å²	3.5	2%	0.023	2%	0.017	C	C	.	.			trans	-85.1	-37.1	178.9	-178.5	-179.1	63.1	80.7	0.3	112.2	L147 S217 Y242 I650 V652 Y653 M655	L147-R149 PolarHBondContact O-N 2.99Å; R149-S217 PolarHBondContact NE-O 3.37Å; R149-S217 PolarHBondContact NH2-O 3.09Å; R149-Y242 WeakPolarHBondContact CD-OH 3.27Å; R149-I650 PolarHBondContact NH2-O 3.47Å; R149-V652 PolarHBondContact NH1-O 3.23Å; R149-Y653 VanDerWaalsContact NH2-CE2 3.25Å; R149-M655 HydrophobicContact CG-SD 4.11Å
150	H	96	Very high	95.9	Very high	7 Å²	7	3.5 Å²	3.5	3%	0.032	2%	0.017	C	C	.	.	S	Bend	trans	-132.5	134.3	-173.8	-164.3	-88.4	0	0	0	110.2	L152 W153 N156 A648 I650	H150-L152 WeakPolarHBondContact ND1-CB 3.41Å; H150-L152 PolarHBondContact ND1-N 3.19Å; H150-L152 PolarHBondContact O-N 2.81Å; H150-W153 PolarHBondContact O-N 3.48Å; H150-N156 PolarHBondContact O-ND2 2.97Å; H150-N156 VanDerWaalsContact O-ND2 3.14Å; H150-A648 PolarHBondContact CD2-O 2.94Å; H150-A648 VanDerWaalsContact CD2-O 3.29Å; H150-A648 PolarHBondContact NE2-O 3.04Å; H150-I650 HydrophobicContact CB-CG1 4.04Å
151	P	95.6	Very high	96.1	Very high	1 Å²	1	3.5 Å²	3.5	1%	0.006	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-24	-173.5	26.3	-36.9	0	0	0	113.8	W153 N156 R518 L521 P560 Y641 I644	P151-W153 VanDerWaalsContact C-N 3.35Å; P151-N156 PolarHBondContact O-ND2 2.88Å; P151-R518 PolarHBondContact O-NH2 2.92Å; P151-L521 HydrophobicContact CB-CD2 3.71Å; P151-L521 HydrophobicContact CG-CD2 3.88Å; P151-P560 HydrophobicContact CB-CB 4.44Å; P151-P560 HydrophobicContact CB-CG 4Å; P151-Y641 HydrophobicContact CG-CD2 4.33Å; P151-I644 HydrophobicContact CG-CG2 3.75Å
152	L	95.9	Very high	96.2	Very high	17 Å²	17	3.4 Å²	3.4	9%	0.089	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-12.4	-178.8	-61.6	-172.8	0	0	0	114.9	H150 G154 D517 R518 N520 L521 I644 I650	H150-L152 WeakPolarHBondContact ND1-CB 3.41Å; H150-L152 PolarHBondContact ND1-N 3.19Å; H150-L152 PolarHBondContact O-N 2.81Å; L152-G154 PolarHBondContact O-N 3.13Å; L152-D517 WeakPolarHBondContact O-CA 3.5Å; L152-D517 WeakPolarHBondContact O-CB 3.41Å; L152-R518 WeakPolarHBondContact CB-O 3.48Å; L152-R518 HydrophobicContact CD2-CB 3.86Å; L152-R518 PolarHBondContact O-N 3.01Å; L152-N520 VanDerWaalsContact CD2-O 3.3Å; L152-N520 WeakPolarHBondContact CD2-O 3.14Å; L152-L521 HydrophobicContact CD2-CD2 4.41Å; L152-I644 HydrophobicContact CD1-CD1 3.74Å; L152-I644 HydrophobicContact CD2-CD1 4.03Å; L152-I644 HydrophobicContact CG-CD1 4Å; L152-I650 HydrophobicContact CB-CD1 4.18Å
153	W	96.3	Very high	96.3	Very high	1 Å²	1	3.4 Å²	3.4	0%	0.004	2%	0.017	C	C	.	.			trans	-66.6	124.7	-175.8	178.1	34.9	0	0	0	112	N146 L147 H150 P151 R155 N156 T159 H216 G218 E220 I650	N146-W153 HydrophobicContact CB-CH2 3.72Å; N146-W153 HydrophobicContact CB-CZ3 4.24Å; L147-W153 VanDerWaalsContact O-CZ3 3.27Å; L147-W153 WeakPolarHBondContact O-CZ3 3.31Å; H150-W153 PolarHBondContact O-N 3.48Å; P151-W153 VanDerWaalsContact C-N 3.35Å; W153-R155 HydrophobicContact CD2-CB 4.4Å; W153-R155 HydrophobicContact CH2-CB 4.39Å; W153-R155 HydrophobicContact CZ2-CB 3.73Å; W153-R155 PolarHBondContact O-N 3.2Å; W153-R155 VanDerWaalsContact O-N 3.12Å; W153-N156 PolarHBondContact O-N 3.26Å; W153-N156 PolarHBondContact O-ND2 3.4Å; W153-T159 HydrophobicContact CE3-CG2 4.31Å; W153-T159 HydrophobicContact CH2-CG2 3.92Å; W153-T159 HydrophobicContact CZ3-CG2 3.44Å; W153-T159 VanDerWaalsContact CZ3-CG2 3.44Å; W153-H216 WeakPolarHBondContact CH2-O 3.35Å; W153-H216 VanDerWaalsContact CZ2-O 3.31Å; W153-H216 WeakPolarHBondContact CZ2-O 3.27Å; W153-G218 PolarHBondContact NE1-O 3.45Å; W153-E220 PolarHBondContact NE1-OE1 3.26Å; W153-I650 HydrophobicContact CB-CD1 4.25Å
154	G	95	Very high	96.4	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.018	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-23	-173.5	0	0	0	0	0	116	L152 D513 H516 D517	L152-G154 PolarHBondContact O-N 3.13Å; G154-D513 CarbonylContact C-O 3.44Å; G154-D513 CarbonylContact O-C 3.57Å; G154-D513 WeakPolarHBondContact O-CA 3.11Å; G154-D513 PolarHBondContact O-N 2.55Å; G154-H516 WeakPolarHBondContact CA-O 3.46Å; G154-D517 PolarHBondContact N-OD1 3.2Å; G154-D517 VanDerWaalsContact N-OD1 3.13Å
155	R	94.5	Very high	96.5	Very high	1 Å²	1	5.8 Å²	5.8	0%	0.004	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	14.5	-174.7	-60.3	-180	69.4	-173.8	7	114.5	W153 K157 E158 H212 H216 E220 E514	W153-R155 HydrophobicContact CD2-CB 4.4Å; W153-R155 HydrophobicContact CH2-CB 4.39Å; W153-R155 HydrophobicContact CZ2-CB 3.73Å; W153-R155 PolarHBondContact O-N 3.2Å; W153-R155 VanDerWaalsContact O-N 3.12Å; R155-K157 PolarHBondContact O-N 3.02Å; R155-E158 IonicContact CZ-OE1 2.72Å; R155-E158 IonicContact CZ-OE2 3.11Å; R155-E158 IonicContact NE-OE1 3.91Å; R155-E158 PolarHBondContact NE-OE1 3.29Å; R155-E158 IonicContact NE-OE2 2.84Å; R155-E158 IonicContact NH2-OE1 2.64Å; R155-E158 PolarHBondContact NH2-OE1 2.48Å; R155-E158 IonicContact NH2-OE2 2.9Å; R155-E158 PolarHBondContact NH2-OE2 3.44Å; R155-E158 WeakPolarHBondContact O-CB 3.44Å; R155-E158 PolarHBondContact O-N 2.97Å; R155-H212 PolarHBondContact NH1-CE1 3.22Å; R155-H212 PolarHBondContact NH1-NE2 3.23Å; R155-H212 PolarHBondContact NH2-CE1 3.24Å; R155-H212 PolarHBondContact NH2-NE2 2.76Å; R155-H216 PolarHBondContact NH1-NE2 3.4Å; R155-E220 WeakPolarHBondContact CD-OE1 3.1Å; R155-E220 VanDerWaalsContact CD-OE2 3.24Å; R155-E220 WeakPolarHBondContact CD-OE2 3.23Å; R155-E220 VanDerWaalsContact CG-CD 3.49Å; R155-E220 HydrophobicContact CG-CG 4.06Å; R155-E220 WeakPolarHBondContact CG-OE1 2.91Å; R155-E514 HydrophobicContact CG-CB 4.43Å
156	N	95.4	Very high	96.5	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.026	C	C	.	.	G	3₁₀ helix	trans	-50.7	-35.1	179.7	-76.5	-21.9	0	0	0	113.5	L148 H150 P151 W153 E158 T159 S558	L148-N156 HydrophobicContact CD1-CB 3.86Å; L148-N156 HydrophobicContact CG-CB 4.03Å; L148-N156 WeakPolarHBondContact CG-OD1 3.49Å; H150-N156 PolarHBondContact O-ND2 2.97Å; H150-N156 VanDerWaalsContact O-ND2 3.14Å; P151-N156 PolarHBondContact O-ND2 2.88Å; W153-N156 PolarHBondContact O-N 3.26Å; W153-N156 PolarHBondContact O-ND2 3.4Å; N156-E158 PolarHBondContact O-N 2.84Å; N156-T159 WeakPolarHBondContact O-CB 3.25Å; N156-T159 PolarHBondContact O-N 2.79Å; N156-T159 VanDerWaalsContact O-N 3.09Å; N156-T159 PolarHBondContact O-OG1 3.25Å; N156-S558 WeakPolarHBondContact CB-O 3.38Å
157	K	93.3	Very high	96.5	Very high	5 Å²	5	5.6 Å²	5.6	2%	0.022	3%	0.025	C	C	.	.	G	3₁₀ helix	trans	-62	-24.3	178.9	68.3	-166.9	-179.1	-170.2	0	114.8	H96 I97 R155 T159 S445 D513 Y580	H96-K157 PolarHBondContact N-O 3.46Å; I97-K157 HydrophobicContact CG2-CB 4.37Å; I97-K157 PolarHBondContact N-O 2.97Å; R155-K157 PolarHBondContact O-N 3.02Å; K157-T159 VanDerWaalsContact C-N 3.33Å; K157-S445 WeakPolarHBondContact CE-OG 3.3Å; K157-S445 PolarHBondContact NZ-OG 3.3Å; K157-D513 VanDerWaalsContact CE-OD1 3.28Å; K157-D513 WeakPolarHBondContact CE-OD1 3.41Å; K157-D513 IonicContact NZ-OD1 2.77Å; K157-D513 PolarHBondContact NZ-OD1 3.34Å; K157-D513 IonicContact NZ-OD2 3.98Å; K157-D513 PolarHBondContact NZ-OD2 3.42Å; K157-Y580 HydrophobicContact CB-CD2 3.84Å; K157-Y580 HydrophobicContact CB-CE2 3.98Å; K157-Y580 HydrophobicContact CD-CD2 3.65Å; K157-Y580 HydrophobicContact CD-CE2 3.54Å; K157-Y580 HydrophobicContact CG-CD2 4.36Å; K157-Y580 HydrophobicContact CG-CE2 4.4Å
158	E	94.1	Very high	96.5	Very high	15 Å²	15	5.7 Å²	5.7	7%	0.07	3%	0.027	C	C	.	.	G	3₁₀ helix	trans	-83.1	-13.2	179.6	-65.7	-177.8	-120.9	0	0	112.6	H96 T144 R155 N156	H96-E158 VanDerWaalsContact CB-O 3.27Å; H96-E158 WeakPolarHBondContact CB-O 3.28Å; T144-E158 WeakPolarHBondContact CB-O 3.39Å; T144-E158 HydrophobicContact CG2-CB 4.14Å; T144-E158 PolarHBondContact OG1-OE2 3.45Å; R155-E158 IonicContact CZ-OE1 2.72Å; R155-E158 IonicContact CZ-OE2 3.11Å; R155-E158 IonicContact NE-OE1 3.91Å; R155-E158 PolarHBondContact NE-OE1 3.29Å; R155-E158 IonicContact NE-OE2 2.84Å; R155-E158 IonicContact NH2-OE1 2.64Å; R155-E158 PolarHBondContact NH2-OE1 2.48Å; R155-E158 IonicContact NH2-OE2 2.9Å; R155-E158 PolarHBondContact NH2-OE2 3.44Å; R155-E158 WeakPolarHBondContact O-CB 3.44Å; R155-E158 PolarHBondContact O-N 2.97Å; N156-E158 PolarHBondContact O-N 2.84Å
159	T	96.2	Very high	96.5	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.035	C	C	.	.	S	Bend	trans	-90.5	166.5	-173.8	75.4	0	0	0	0	112.3	H96 I97 N146 W153 N156 K157 G161	H96-T159 CarbonylContact C-O 3.43Å; I97-T159 WeakPolarHBondContact CA-O 3.39Å; I97-T159 PolarHBondContact N-O 3.1Å; N146-T159 VanDerWaalsContact O-CB 3.29Å; N146-T159 WeakPolarHBondContact O-CB 3.34Å; N146-T159 WeakPolarHBondContact O-CG2 3.4Å; W153-T159 HydrophobicContact CE3-CG2 4.31Å; W153-T159 HydrophobicContact CH2-CG2 3.92Å; W153-T159 HydrophobicContact CZ3-CG2 3.44Å; W153-T159 VanDerWaalsContact CZ3-CG2 3.44Å; N156-T159 WeakPolarHBondContact O-CB 3.25Å; N156-T159 PolarHBondContact O-N 2.79Å; N156-T159 VanDerWaalsContact O-N 3.09Å; N156-T159 PolarHBondContact O-OG1 3.25Å; K157-T159 VanDerWaalsContact C-N 3.33Å; T159-G161 VanDerWaalsContact C-N 3.27Å; T159-G161 PolarHBondContact OG1-N 2.65Å; T159-G161 VanDerWaalsContact OG1-N 3.13Å
160	Y	98	Very high	96.6	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.034	C	C	.	.			trans	-91	22.6	167.1	-67.2	-58	0	0	0	113.4	H96 Q99 A100 V108 P143 L170 A171 Y174	H96-Y160 HydrophobicContact CB-CD1 4.1Å; H96-Y160 HydrophobicContact CB-CE1 3.93Å; H96-Y160 AromaticContact CD2-CE1 3.75Å; H96-Y160 AromaticContact CD2-CZ 3.67Å; H96-Y160 PolarHBondContact CD2-OH 3.42Å; H96-Y160 WeakPolarHBondContact O-CD1 3.49Å; Q99-Y160 HydrophobicContact CB-CE1 4.33Å; A100-Y160 HydrophobicContact CB-CD1 4.19Å; A100-Y160 WeakPolarHBondContact CB-O 3.5Å; V108-Y160 HydrophobicContact CG1-CE1 4.45Å; P143-Y160 HydrophobicContact CB-CE2 3.89Å; P143-Y160 HydrophobicContact CG-CE2 4.39Å; Y160-L170 HydrophobicContact CD1-CB 3.88Å; Y160-L170 HydrophobicContact CD1-CD1 3.78Å; Y160-L170 HydrophobicContact CD2-CB 4.06Å; Y160-L170 HydrophobicContact CE1-CB 3.94Å; Y160-L170 HydrophobicContact CE1-CD1 4.37Å; Y160-L170 HydrophobicContact CE2-CB 4.11Å; Y160-L170 HydrophobicContact CG-CB 3.94Å; Y160-L170 HydrophobicContact CG-CD1 4.16Å; Y160-A171 HydrophobicContact CE2-CB 4.37Å; Y160-Y174 WeakPolarHBondContact OH-CB 3.49Å
161	G	97.9	Very high	96.6	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.032	C	C	.	.			trans	92.5	-159.3	178	0	0	0	0	0	114.2	I97 L147 L148 T159 P637	I97-G161 VanDerWaalsContact CD1-CA 3.41Å; I97-G161 VanDerWaalsContact CD1-N 3.35Å; L147-G161 WeakPolarHBondContact CA-O 3.02Å; L148-G161 PolarHBondContact N-O 3.44Å; T159-G161 VanDerWaalsContact C-N 3.27Å; T159-G161 PolarHBondContact OG1-N 2.65Å; T159-G161 VanDerWaalsContact OG1-N 3.13Å; G161-P637 VanDerWaalsContact CA-O 3.3Å; G161-P637 WeakPolarHBondContact CA-O 3.32Å
162	E	97.9	Very high	96.6	Very high	3 Å²	3	8.3 Å²	8.3	1%	0.014	4%	0.038	C	C	.	.	S	Bend	trans	-93	-11.9	-167.1	76.7	-176.5	-160.6	0	0	114.5	L148 P637 F638 T639 T659 Y660 F682	L148-E162 WeakPolarHBondContact O-CA 3.24Å; L148-E162 WeakPolarHBondContact O-CB 3.35Å; E162-P637 PolarHBondContact N-O 2.77Å; E162-F638 HydrophobicContact CG-CB 4.49Å; E162-T639 WeakPolarHBondContact OE1-CB 3.48Å; E162-T639 PolarHBondContact OE1-N 3.41Å; E162-T639 PolarHBondContact OE1-OG1 2.83Å; E162-T639 PolarHBondContact OE2-N 2.82Å; E162-T659 HydrophobicContact CB-CG2 3.89Å; E162-T659 HydrophobicContact CG-CG2 4.31Å; E162-Y660 HydrophobicContact CG-CD1 4.15Å; E162-Y660 VanDerWaalsContact OE1-CD1 3.29Å; E162-Y660 WeakPolarHBondContact OE1-CD1 3.35Å; E162-Y660 PolarHBondContact OE1-N 2.68Å; E162-F682 HydrophobicContact CG-CD2 3.9Å; E162-F682 HydrophobicContact CG-CE2 4.39Å; E162-F682 WeakPolarHBondContact OE1-CB 3.24Å
163	D	98.5	Very high	96.4	Very high	2 Å²	2	7.5 Å²	7.5	1%	0.011	3%	0.034	C	C	.	.			trans	-97.7	123.2	-173.1	-174.9	65	0	0	0	112.6	Y165 L166 A167 Y660 F682	D163-Y165 VanDerWaalsContact C-N 3.31Å; D163-Y165 PolarHBondContact O-N 2.9Å; D163-Y165 WeakPolarHBondContact OD2-CA 3.3Å; D163-Y165 WeakPolarHBondContact OD2-CB 3.48Å; D163-Y165 PolarHBondContact OD2-N 2.81Å; D163-Y165 VanDerWaalsContact OD2-N 3.1Å; D163-L166 HydrophobicContact CB-CB 3.95Å; D163-L166 PolarHBondContact OD2-N 3.15Å; D163-A167 VanDerWaalsContact O-CB 3.29Å; D163-A167 WeakPolarHBondContact O-CB 3.42Å; D163-A167 PolarHBondContact O-N 2.99Å; D163-Y660 HydrophobicContact CB-CE1 3.94Å; D163-Y660 WeakPolarHBondContact OD1-CE1 3.33Å; D163-Y660 PolarHBondContact OD1-OH 3.42Å; D163-F682 HydrophobicContact CB-CE2 3.84Å; D163-F682 HydrophobicContact CB-CZ 3.74Å
164	P	98.1	Very high	96.3	Very high	4 Å²	4	7.6 Å²	7.6	3%	0.026	3%	0.034	C	C	.	.	H	α-helix	trans	-65.7	-29.9	-179.8	-16.2	25.6	0	0	0	114.3	L147 A168 T241 P244	L147-P164 HydrophobicContact CD1-CB 4.38Å; L147-P164 HydrophobicContact CD1-CG 3.84Å; P164-A168 WeakPolarHBondContact O-CB 3.39Å; P164-A168 PolarHBondContact O-N 3.2Å; P164-T241 HydrophobicContact CG-CG2 4.25Å; P164-P244 HydrophobicContact CB-CB 4.18Å; P164-P244 HydrophobicContact CB-CG 4.41Å
165	Y	98	Very high	96.3	Very high	48 Å²	48	7.6 Å²	7.6	19%	0.188	3%	0.034	C	C	.	.	H	α-helix	trans	-76.3	-46	-178.9	172.9	-108.8	0	0	0	111	D163 A167 A168 E169 L763 F766 Q787	D163-Y165 VanDerWaalsContact C-N 3.31Å; D163-Y165 PolarHBondContact O-N 2.9Å; D163-Y165 WeakPolarHBondContact OD2-CA 3.3Å; D163-Y165 WeakPolarHBondContact OD2-CB 3.48Å; D163-Y165 PolarHBondContact OD2-N 2.81Å; D163-Y165 VanDerWaalsContact OD2-N 3.1Å; Y165-A167 PolarHBondContact O-N 3.47Å; Y165-A168 WeakPolarHBondContact O-CB 3.46Å; Y165-A168 PolarHBondContact O-N 3.17Å; Y165-E169 HydrophobicContact CD2-CG 4.17Å; Y165-E169 HydrophobicContact CE1-CG 4.26Å; Y165-E169 HydrophobicContact CE2-CG 3.6Å; Y165-E169 WeakPolarHBondContact O-CG 2.91Å; Y165-E169 PolarHBondContact O-N 3.24Å; Y165-L763 HydrophobicContact CD1-CB 4.37Å; Y165-L763 HydrophobicContact CD1-CD2 4.13Å; Y165-L763 HydrophobicContact CD1-CG 4.01Å; Y165-L763 WeakPolarHBondContact CD1-O 3.42Å; Y165-L763 HydrophobicContact CE1-CG 4.49Å; Y165-F766 HydrophobicContact CD1-CD1 4.5Å; Y165-F766 AromaticContact CE1-CD1 3.93Å; Y165-F766 HydrophobicContact CE1-CD1 3.93Å; Y165-F766 HydrophobicContact CE1-CE1 4.05Å; Y165-Q787 HydrophobicContact CD2-CG 4.42Å
166	L	98.4	Very high	96	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-56.2	-50.8	170.8	-176.9	62.4	0	0	0	110.6	A100 F103 D163 A168 E169 L170 P637 F682 L763 F766	A100-L166 HydrophobicContact CB-CD2 4.26Å; F103-L166 HydrophobicContact CD1-CD1 4.06Å; F103-L166 HydrophobicContact CE1-CD1 4.22Å; F103-L166 HydrophobicContact CE1-CD2 4.12Å; F103-L166 HydrophobicContact CE2-CD2 4.06Å; F103-L166 HydrophobicContact CG-CD1 4.37Å; F103-L166 HydrophobicContact CZ-CD2 3.8Å; D163-L166 HydrophobicContact CB-CB 3.95Å; D163-L166 PolarHBondContact OD2-N 3.15Å; L166-A168 VanDerWaalsContact C-N 3.28Å; L166-A168 PolarHBondContact O-N 2.69Å; L166-E169 PolarHBondContact O-N 3.5Å; L166-L170 HydrophobicContact CD1-CD1 3.85Å; L166-L170 HydrophobicContact CD1-CG 4.11Å; L166-L170 HydrophobicContact CG-CD1 3.99Å; L166-L170 HydrophobicContact CG-CG 4.48Å; L166-L170 VanDerWaalsContact O-CG 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.25Å; L166-L170 PolarHBondContact O-N 3.06Å; L166-P637 HydrophobicContact CD2-CB 4.07Å; L166-F682 HydrophobicContact CD2-CE2 4.28Å; L166-F682 HydrophobicContact CD2-CZ 4.28Å; L166-L763 HydrophobicContact CB-CD2 4.23Å; L166-F766 HydrophobicContact CD1-CD1 4.29Å; L166-F766 HydrophobicContact CD1-CE1 3.71Å; L166-F766 HydrophobicContact CD1-CE2 4.16Å; L166-F766 HydrophobicContact CD1-CZ 3.64Å
167	A	98.5	Very high	95.7	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-59.8	-38.7	178.1	0	0	0	0	0	112.4	L147 D163 Y165 A171 A245	L147-A167 HydrophobicContact CD2-CB 3.74Å; D163-A167 VanDerWaalsContact O-CB 3.29Å; D163-A167 WeakPolarHBondContact O-CB 3.42Å; D163-A167 PolarHBondContact O-N 2.99Å; Y165-A167 PolarHBondContact O-N 3.47Å; A167-A171 WeakPolarHBondContact O-CB 3.28Å; A167-A171 PolarHBondContact O-N 2.96Å; A167-A245 HydrophobicContact CB-CB 3.97Å
168	A	97.6	Very high	95.6	Very high	8 Å²	8	7.3 Å²	7.3	7%	0.066	3%	0.033	C	C	.	.	H	α-helix	trans	-61.8	-53.6	174.9	0	0	0	0	0	111.8	P164 Y165 L166 L170 A171 R172 A245 A248	P164-A168 WeakPolarHBondContact O-CB 3.39Å; P164-A168 PolarHBondContact O-N 3.2Å; Y165-A168 WeakPolarHBondContact O-CB 3.46Å; Y165-A168 PolarHBondContact O-N 3.17Å; L166-A168 VanDerWaalsContact C-N 3.28Å; L166-A168 PolarHBondContact O-N 2.69Å; A168-L170 PolarHBondContact O-N 2.96Å; A168-A171 PolarHBondContact O-N 3.48Å; A168-R172 WeakPolarHBondContact O-CG 3.47Å; A168-R172 PolarHBondContact O-N 3.02Å; A168-A245 HydrophobicContact CB-CB 4.5Å; A168-A248 HydrophobicContact CB-CB 3.49Å; A168-A248 VanDerWaalsContact CB-CB 3.49Å
169	E	96.1	Very high	95.4	Very high	39 Å²	39	6.6 Å²	6.6	18%	0.182	3%	0.03	C	C	.	.	H	α-helix	trans	-63	-41.4	-176.9	-68.1	-55.4	126.5	0	0	112.1	I105 Y165 L166 R172 A173 F766	I105-E169 HydrophobicContact CD1-CB 4.11Å; I105-E169 HydrophobicContact CG1-CB 4.4Å; Y165-E169 HydrophobicContact CD2-CG 4.17Å; Y165-E169 HydrophobicContact CE1-CG 4.26Å; Y165-E169 HydrophobicContact CE2-CG 3.6Å; Y165-E169 WeakPolarHBondContact O-CG 2.91Å; Y165-E169 PolarHBondContact O-N 3.24Å; L166-E169 PolarHBondContact O-N 3.5Å; E169-R172 PolarHBondContact O-N 3.42Å; E169-A173 PolarHBondContact O-N 3.25Å; E169-F766 HydrophobicContact CB-CE1 4.08Å; E169-F766 HydrophobicContact CB-CZ 4.03Å; E169-F766 HydrophobicContact CG-CE1 4.19Å
170	L	97.1	Very high	94.8	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-71.3	-33.9	177	-58.6	-176.7	0	0	0	112.2	A100 I105 V108 Y160 L166 A168 A173 Y174 F766	A100-L170 VanDerWaalsContact CA-CD1 3.47Å; A100-L170 HydrophobicContact CB-CD1 3.82Å; I105-L170 HydrophobicContact CG1-CD2 4.23Å; V108-L170 HydrophobicContact CB-CD2 4.38Å; V108-L170 HydrophobicContact CG1-CB 4.47Å; V108-L170 WeakPolarHBondContact CG1-O 3.22Å; V108-L170 HydrophobicContact CG2-CB 4.45Å; V108-L170 HydrophobicContact CG2-CD1 4.5Å; V108-L170 HydrophobicContact CG2-CD2 3.81Å; V108-L170 HydrophobicContact CG2-CG 4.46Å; Y160-L170 HydrophobicContact CD1-CB 3.88Å; Y160-L170 HydrophobicContact CD1-CD1 3.78Å; Y160-L170 HydrophobicContact CD2-CB 4.06Å; Y160-L170 HydrophobicContact CE1-CB 3.94Å; Y160-L170 HydrophobicContact CE1-CD1 4.37Å; Y160-L170 HydrophobicContact CE2-CB 4.11Å; Y160-L170 HydrophobicContact CG-CB 3.94Å; Y160-L170 HydrophobicContact CG-CD1 4.16Å; L166-L170 HydrophobicContact CD1-CD1 3.85Å; L166-L170 HydrophobicContact CD1-CG 4.11Å; L166-L170 HydrophobicContact CG-CD1 3.99Å; L166-L170 HydrophobicContact CG-CG 4.48Å; L166-L170 VanDerWaalsContact O-CG 3.3Å; L166-L170 WeakPolarHBondContact O-CG 3.25Å; L166-L170 PolarHBondContact O-N 3.06Å; A168-L170 PolarHBondContact O-N 2.96Å; L170-A173 WeakPolarHBondContact O-CB 3.35Å; L170-A173 PolarHBondContact O-N 3.3Å; L170-Y174 WeakPolarHBondContact O-CB 3.24Å; L170-Y174 PolarHBondContact O-N 2.91Å; L170-F766 HydrophobicContact CD2-CZ 4.42Å
171	A	96.8	Very high	93.8	Very high	0 Å²	0	7 Å²	7	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-63.9	-41.3	170.7	0	0	0	0	0	112	P143 V145 Y160 A167 A168 A173 Y174 V175 C249	P143-A171 HydrophobicContact CG-CB 4.27Å; V145-A171 HydrophobicContact CG1-CB 3.57Å; Y160-A171 HydrophobicContact CE2-CB 4.37Å; A167-A171 WeakPolarHBondContact O-CB 3.28Å; A167-A171 PolarHBondContact O-N 2.96Å; A168-A171 PolarHBondContact O-N 3.48Å; A171-A173 VanDerWaalsContact C-N 3.35Å; A171-Y174 PolarHBondContact O-N 2.7Å; A171-V175 VanDerWaalsContact O-CG2 3.28Å; A171-V175 WeakPolarHBondContact O-CG2 3.25Å; A171-V175 PolarHBondContact O-N 2.76Å; A171-C249 HydrophobicContact CB-CB 4.02Å
172	R	94.4	Very high	92.2	Very high	31 Å²	31	10.4 Å²	10.4	12%	0.117	5%	0.049	C	C	.	.	H	α-helix	trans	-60.1	-47	174.1	-61.9	-166.1	-170.7	-85.1	8	110.8	A168 E169 Y174 V175 H176 A248 E251 A252	A168-R172 WeakPolarHBondContact O-CG 3.47Å; A168-R172 PolarHBondContact O-N 3.02Å; E169-R172 PolarHBondContact O-N 3.42Å; R172-Y174 VanDerWaalsContact C-N 3.35Å; R172-Y174 PolarHBondContact O-N 2.81Å; R172-V175 PolarHBondContact O-N 2.88Å; R172-H176 WeakPolarHBondContact O-CB 3.29Å; R172-H176 PolarHBondContact O-CD2 3.23Å; R172-H176 VanDerWaalsContact O-CD2 3.3Å; R172-H176 PolarHBondContact O-N 3.3Å; R172-A248 HydrophobicContact CG-CB 4.14Å; R172-A248 PolarHBondContact NH1-O 2.98Å; R172-E251 IonicContact CZ-OE2 3.65Å; R172-E251 IonicContact NH1-OE2 3.81Å; R172-E251 PolarHBondContact NH1-OE2 3.41Å; R172-E251 IonicContact NH2-OE2 2.65Å; R172-E251 PolarHBondContact NH2-OE2 3.15Å; R172-A252 HydrophobicContact CB-CB 3.98Å; R172-A252 HydrophobicContact CG-CB 3.93Å
173	A	92.1	Very high	90.4	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.008	6%	0.06	C	C	.	.	H	α-helix	trans	-57.5	-47.2	177.4	0	0	0	0	0	112.1	I105 V108 W109 E169 L170 A171 H176 G177	I105-A173 HydrophobicContact CG2-CB 3.8Å; I105-A173 VanDerWaalsContact O-CB 3.31Å; I105-A173 WeakPolarHBondContact O-CB 3.32Å; V108-A173 HydrophobicContact CB-CB 4.14Å; V108-A173 HydrophobicContact CG1-CB 4.07Å; W109-A173 HydrophobicContact CB-CB 4.26Å; E169-A173 PolarHBondContact O-N 3.25Å; L170-A173 WeakPolarHBondContact O-CB 3.35Å; L170-A173 PolarHBondContact O-N 3.3Å; A171-A173 VanDerWaalsContact C-N 3.35Å; A173-H176 PolarHBondContact O-N 3.44Å; A173-G177 PolarHBondContact O-N 2.7Å
174	Y	95.2	Very high	88.2	Confident	2 Å²	2	13.6 Å²	13.6	1%	0.008	7%	0.07	C	C	.	.	H	α-helix	trans	-60.5	-51.3	178	-178.7	-81.1	0	0	0	111.6	H96 A112 V140 A142 P143 Y160 L170 A171 R172 H176 G177 I178	H96-Y174 AromaticContact NE2-CE2 4Å; A112-Y174 HydrophobicContact CB-CD2 3.72Å; A112-Y174 HydrophobicContact CB-CE2 4.1Å; A112-Y174 HydrophobicContact CB-CG 4.04Å; A112-Y174 WeakPolarHBondContact CB-O 3.35Å; V140-Y174 HydrophobicContact CG1-CE1 4.41Å; A142-Y174 HydrophobicContact CB-CE1 4.03Å; A142-Y174 VanDerWaalsContact CB-OH 3.22Å; A142-Y174 WeakPolarHBondContact CB-OH 3.4Å; P143-Y174 HydrophobicContact CB-CD1 3.95Å; P143-Y174 HydrophobicContact CB-CD2 4.39Å; P143-Y174 HydrophobicContact CB-CE1 4.3Å; P143-Y174 HydrophobicContact CB-CG 4.02Å; P143-Y174 VanDerWaalsContact CD-CD1 3.44Å; P143-Y174 HydrophobicContact CG-CD1 3.63Å; P143-Y174 HydrophobicContact CG-CE1 4.25Å; P143-Y174 HydrophobicContact CG-CG 3.96Å; Y160-Y174 WeakPolarHBondContact OH-CB 3.49Å; L170-Y174 WeakPolarHBondContact O-CB 3.24Å; L170-Y174 PolarHBondContact O-N 2.91Å; A171-Y174 PolarHBondContact O-N 2.7Å; R172-Y174 VanDerWaalsContact C-N 3.35Å; R172-Y174 PolarHBondContact O-N 2.81Å; Y174-H176 VanDerWaalsContact C-N 3.31Å; Y174-H176 PolarHBondContact O-N 2.97Å; Y174-G177 PolarHBondContact O-N 3.12Å; Y174-I178 HydrophobicContact CD1-CB 4.5Å; Y174-I178 HydrophobicContact CD1-CG2 4.1Å; Y174-I178 HydrophobicContact CE1-CB 4.12Å; Y174-I178 HydrophobicContact CE1-CG1 4.4Å; Y174-I178 HydrophobicContact CE1-CG2 3.87Å; Y174-I178 WeakPolarHBondContact O-CB 3.32Å; Y174-I178 VanDerWaalsContact O-CG2 3.26Å; Y174-I178 WeakPolarHBondContact O-CG2 3.13Å; Y174-I178 PolarHBondContact O-N 3.39Å
175	V	93.7	Very high	85.8	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.3	-42.7	-178.3	173	0	0	0	0	110.8	A171 R172 I178 S179 A208 A252 A254	A171-V175 VanDerWaalsContact O-CG2 3.28Å; A171-V175 WeakPolarHBondContact O-CG2 3.25Å; A171-V175 PolarHBondContact O-N 2.76Å; R172-V175 PolarHBondContact O-N 2.88Å; V175-I178 WeakPolarHBondContact O-CG2 3.2Å; V175-S179 WeakPolarHBondContact O-CB 3.45Å; V175-S179 PolarHBondContact O-N 2.84Å; V175-S179 PolarHBondContact O-OG 3.38Å; V175-A208 HydrophobicContact CB-CB 4.41Å; V175-A208 HydrophobicContact CG1-CB 4.25Å; V175-A208 HydrophobicContact CG2-CB 3.94Å; V175-A252 HydrophobicContact CB-CB 4.08Å; V175-A252 HydrophobicContact CG1-CB 4.11Å; V175-A252 WeakPolarHBondContact CG1-O 3.22Å; V175-A254 HydrophobicContact CG1-CB 4.31Å; V175-A254 HydrophobicContact CG2-CB 4.16Å
176	H	88.5	Confident	83.3	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-65	-46.2	175.9	-76.2	-151.8	0	0	0	111.5	R172 A173 Y174 S179 G180 W181 N182 A252	R172-H176 WeakPolarHBondContact O-CB 3.29Å; R172-H176 PolarHBondContact O-CD2 3.23Å; R172-H176 VanDerWaalsContact O-CD2 3.3Å; R172-H176 PolarHBondContact O-N 3.3Å; A173-H176 PolarHBondContact O-N 3.44Å; Y174-H176 VanDerWaalsContact C-N 3.31Å; Y174-H176 PolarHBondContact O-N 2.97Å; H176-S179 PolarHBondContact O-N 2.71Å; H176-G180 PolarHBondContact O-N 3.32Å; H176-G180 VanDerWaalsContact O-N 3.15Å; H176-W181 HydrophobicContact CB-CB 4.1Å; H176-W181 AromaticContact CD2-CE3 3.57Å; H176-W181 AromaticContact CG-CE3 4Å; H176-W181 AromaticContact NE2-CE3 3.85Å; H176-W181 PolarHBondContact O-N 2.89Å; H176-N182 PolarHBondContact ND1-O 2.86Å; H176-N182 VanDerWaalsContact ND1-O 3.12Å; H176-A252 PolarHBondContact CD2-O 2.99Å
177	G	88.7	Confident	80.8	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.4	-56.5	-179	0	0	0	0	0	111.7	W109 F113 A173 Y174 S179 G180	W109-G177 VanDerWaalsContact CD1-CA 3.41Å; W109-G177 VanDerWaalsContact CD1-N 3.25Å; F113-G177 VanDerWaalsContact CA-O 3.25Å; F113-G177 WeakPolarHBondContact CA-O 3.27Å; F113-G177 WeakPolarHBondContact CD2-O 3.46Å; A173-G177 PolarHBondContact O-N 2.7Å; Y174-G177 PolarHBondContact O-N 3.12Å; G177-S179 PolarHBondContact O-N 2.7Å; G177-G180 PolarHBondContact O-N 3.29Å
178	I	91.6	Very high	78.1	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.4	-32.1	-177.7	-162.8	73.2	0	0	0	112.4	A112 N115 M119 V140 Y174 V175 G180 V206 A208	A112-I178 HydrophobicContact CB-CB 4.21Å; A112-I178 WeakPolarHBondContact O-CA 3.49Å; A112-I178 VanDerWaalsContact O-CD1 3.24Å; A112-I178 WeakPolarHBondContact O-CD1 3.34Å; N115-I178 HydrophobicContact CB-CD1 3.96Å; M119-I178 HydrophobicContact SD-CD1 4.36Å; V140-I178 HydrophobicContact CG1-CG1 3.96Å; Y174-I178 HydrophobicContact CD1-CB 4.5Å; Y174-I178 HydrophobicContact CD1-CG2 4.1Å; Y174-I178 HydrophobicContact CE1-CB 4.12Å; Y174-I178 HydrophobicContact CE1-CG1 4.4Å; Y174-I178 HydrophobicContact CE1-CG2 3.87Å; Y174-I178 WeakPolarHBondContact O-CB 3.32Å; Y174-I178 VanDerWaalsContact O-CG2 3.26Å; Y174-I178 WeakPolarHBondContact O-CG2 3.13Å; Y174-I178 PolarHBondContact O-N 3.39Å; V175-I178 WeakPolarHBondContact O-CG2 3.2Å; I178-G180 VanDerWaalsContact C-N 3.31Å; I178-V206 HydrophobicContact CD1-CB 4.5Å; I178-V206 HydrophobicContact CD1-CG1 4.28Å; I178-V206 HydrophobicContact CG1-CB 4.02Å; I178-V206 HydrophobicContact CG1-CG1 3.82Å; I178-V206 PolarHBondContact O-N 3.3Å; I178-A208 HydrophobicContact CG2-CB 3.77Å
179	S	90.6	Very high	75.4	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-81.1	-9.2	178.7	-55.4	0	0	0	0	113.7	V175 H176 G177 L205 V206	V175-S179 WeakPolarHBondContact O-CB 3.45Å; V175-S179 PolarHBondContact O-N 2.84Å; V175-S179 PolarHBondContact O-OG 3.38Å; H176-S179 PolarHBondContact O-N 2.71Å; G177-S179 PolarHBondContact O-N 2.7Å; S179-L205 PolarHBondContact O-N 2.89Å; S179-V206 WeakPolarHBondContact CA-O 3.2Å
180	G	83.5	Confident	72.8	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	44.9	-175.4	0	0	0	0	0	112.4	H176 G177 I178 N197 I199	H176-G180 PolarHBondContact O-N 3.32Å; H176-G180 VanDerWaalsContact O-N 3.15Å; G177-G180 PolarHBondContact O-N 3.29Å; I178-G180 VanDerWaalsContact C-N 3.31Å; G180-N197 PolarHBondContact O-ND2 2.91Å; G180-I199 WeakPolarHBondContact O-CD1 3.24Å
181	W	75.6	Confident	70	Confident	8 Å²	8	37.8 Å²	37.8	3%	0.03	21%	0.21	C	C	.	.			trans	-106.8	155.1	171.5	-62.9	-6.4	0	0	0	110.3	W109 H176 I189 L194 L204 A252	W109-W181 VanDerWaalsContact CE2-O 3.31Å; W109-W181 VanDerWaalsContact CZ2-O 3.31Å; W109-W181 WeakPolarHBondContact CZ2-O 3.32Å; W109-W181 PolarHBondContact NE1-O 3.36Å; H176-W181 HydrophobicContact CB-CB 4.1Å; H176-W181 AromaticContact CD2-CE3 3.57Å; H176-W181 AromaticContact CG-CE3 4Å; H176-W181 AromaticContact NE2-CE3 3.85Å; H176-W181 PolarHBondContact O-N 2.89Å; W181-I189 HydrophobicContact CD2-CD1 4.24Å; W181-I189 HydrophobicContact CE3-CD1 3.64Å; W181-I189 HydrophobicContact CZ3-CB 4.42Å; W181-I189 HydrophobicContact CZ3-CD1 4.08Å; W181-I189 HydrophobicContact CZ3-CG2 4.49Å; W181-L194 HydrophobicContact CH2-CD2 3.53Å; W181-L194 HydrophobicContact CZ2-CD2 3.77Å; W181-L204 HydrophobicContact CZ2-CD2 3.72Å; W181-A252 WeakPolarHBondContact CZ3-O 3.25Å
182	N	66.3	Low	67.2	Low	72 Å²	72	44.1 Å²	44.1	39%	0.385	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-60.4	151.1	173.9	-71.8	-22.3	0	0	0	111.7	H176 I199	H176-N182 PolarHBondContact ND1-O 2.86Å; H176-N182 VanDerWaalsContact ND1-O 3.12Å; N182-I199 WeakPolarHBondContact OD1-CD1 3.31Å
183	V	58.3	Low	64.6	Low	40 Å²	40	46.1 Å²	46.1	24%	0.242	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-56.1	133.1	166.6	-174.4	0	0	0	0	108	L106 W109 N185	L106-V183 HydrophobicContact CD1-CG2 3.64Å; W109-V183 HydrophobicContact CB-CG2 4.21Å; W109-V183 HydrophobicContact CD2-CG2 3.39Å; W109-V183 HydrophobicContact CE3-CG2 3.78Å; W109-V183 HydrophobicContact CG-CG2 3.56Å; W109-V183 HydrophobicContact CZ2-CG2 4.33Å; W109-V183 HydrophobicContact CZ3-CG2 4.42Å; V183-N185 PolarHBondContact O-N 3.46Å
184	P	53.4	Low	62.3	Low	32 Å²	32	47.5 Å²	47.5	21%	0.208	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-63.7	126.4	176.7	7.3	-2.7	0	0	0	110.2	G187	P184-G187 WeakPolarHBondContact CB-O 3.4Å
185	N	48	Very low	59.7	Low	163 Å²	163	50.8 Å²	50.8	87%	0.872	28%	0.28	S	S	*	.	S	Bend	trans	-79.4	-21.5	174.1	-80	-18.3	0	0	0	112.4	V183	V183-N185 PolarHBondContact O-N 3.46Å
186	D	45.5	Very low	57.1	Low	152 Å²	152	55.6 Å²	55.6	81%	0.813	30%	0.304	S	S	*	.	S	Bend	trans	-155.2	19.7	-170.5	60.3	-13.7	0	0	0	115.3
187	G	44.7	Very low	54.9	Low	38 Å²	38	56 Å²	56	39%	0.392	31%	0.306	S	S	.	.	S	Bend	trans	115.9	-179.9	179.3	0	0	0	0	0	113.9	P184	P184-G187 WeakPolarHBondContact CB-O 3.4Å
188	A	42.3	Very low	52.7	Low	35 Å²	35	59.6 Å²	59.6	29%	0.289	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-53	138.7	-166.9	0	0	0	0	0	115.1	K190	A188-K190 PolarHBondContact O-N 3.19Å
189	I	41.9	Very low	50.6	Low	35 Å²	35	61 Å²	61	18%	0.179	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-64.1	120.7	162.2	-67.7	175.1	0	0	0	107.4	W181 V191 L193	W181-I189 HydrophobicContact CD2-CD1 4.24Å; W181-I189 HydrophobicContact CE3-CD1 3.64Å; W181-I189 HydrophobicContact CZ3-CB 4.42Å; W181-I189 HydrophobicContact CZ3-CD1 4.08Å; W181-I189 HydrophobicContact CZ3-CG2 4.49Å; I189-V191 PolarHBondContact O-N 3.26Å; I189-L193 HydrophobicContact CG2-CB 3.73Å; I189-L193 HydrophobicContact CG2-CD1 4.16Å
190	K	41.2	Very low	48.4	Very low	145 Å²	145	65.3 Å²	65.3	63%	0.63	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-65.5	123.9	174.1	-65.1	179.3	179.1	175.5	0	108.8	A188 H192 L193	A188-K190 PolarHBondContact O-N 3.19Å; K190-H192 WeakPolarHBondContact CB-CE1 3.5Å; K190-H192 WeakPolarHBondContact CB-ND1 3.43Å; K190-H192 PolarHBondContact O-N 3.05Å; K190-L193 HydrophobicContact CB-CD1 4.38Å; K190-L193 WeakPolarHBondContact O-CA 3.17Å; K190-L193 WeakPolarHBondContact O-CB 3.24Å; K190-L193 WeakPolarHBondContact O-CG 3.44Å; K190-L193 PolarHBondContact O-N 3.1Å
191	V	37	Very low	46.8	Very low	40 Å²	40	72.6 Å²	72.6	24%	0.242	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-42.8	-28.2	-179.1	176.6	0	0	0	0	116.2	I189 L193 L194 E251 P287	I189-V191 PolarHBondContact O-N 3.26Å; V191-L193 PolarHBondContact O-N 3.33Å; V191-L194 HydrophobicContact CG1-CD1 3.57Å; V191-L194 HydrophobicContact CG1-CG 4.26Å; V191-L194 WeakPolarHBondContact O-CB 3.46Å; V191-L194 WeakPolarHBondContact O-CD1 3.31Å; V191-L194 WeakPolarHBondContact O-CG 3.22Å; V191-L194 PolarHBondContact O-N 2.62Å; V191-E251 WeakPolarHBondContact CG2-O 3.39Å; V191-P287 HydrophobicContact CG1-CG 3.7Å
192	H	39.7	Very low	46.3	Very low	133 Å²	133	74.6 Å²	74.6	62%	0.616	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-68	-15.5	173.2	68.8	-71.5	0	0	0	113.9	K190 L194 T195	K190-H192 WeakPolarHBondContact CB-CE1 3.5Å; K190-H192 WeakPolarHBondContact CB-ND1 3.43Å; K190-H192 PolarHBondContact O-N 3.05Å; H192-L194 VanDerWaalsContact C-N 3.28Å; H192-T195 PolarHBondContact O-OG1 2.86Å; H192-T195 VanDerWaalsContact O-OG1 3.07Å
193	L	38.5	Very low	47.1	Very low	73 Å²	73	71.2 Å²	71.2	38%	0.382	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-82.2	3.1	168.4	-59.3	169	0	0	0	112.7	I189 K190 V191 T195 I196	I189-L193 HydrophobicContact CG2-CB 3.73Å; I189-L193 HydrophobicContact CG2-CD1 4.16Å; K190-L193 HydrophobicContact CB-CD1 4.38Å; K190-L193 WeakPolarHBondContact O-CA 3.17Å; K190-L193 WeakPolarHBondContact O-CB 3.24Å; K190-L193 WeakPolarHBondContact O-CG 3.44Å; K190-L193 PolarHBondContact O-N 3.1Å; V191-L193 PolarHBondContact O-N 3.33Å; L193-T195 PolarHBondContact O-N 3.01Å; L193-I196 CarbonylContact O-C 3.57Å; L193-I196 PolarHBondContact O-N 2.82Å; L193-I196 VanDerWaalsContact O-O 3.05Å
194	L	44	Very low	48.5	Very low	30 Å²	30	69.5 Å²	69.5	16%	0.157	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-56.5	-14.3	163.9	-75.5	173.1	0	0	0	112.6	W181 V191 H192 P287	W181-L194 HydrophobicContact CH2-CD2 3.53Å; W181-L194 HydrophobicContact CZ2-CD2 3.77Å; V191-L194 HydrophobicContact CG1-CD1 3.57Å; V191-L194 HydrophobicContact CG1-CG 4.26Å; V191-L194 WeakPolarHBondContact O-CB 3.46Å; V191-L194 WeakPolarHBondContact O-CD1 3.31Å; V191-L194 WeakPolarHBondContact O-CG 3.22Å; V191-L194 PolarHBondContact O-N 2.62Å; H192-L194 VanDerWaalsContact C-N 3.28Å; L194-P287 HydrophobicContact CD1-CG 3.84Å
195	T	41.3	Very low	50.2	Low	71 Å²	71	68 Å²	68	44%	0.436	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-74.4	-10.1	169.7	54	0	0	0	0	113.5	H192 L193 H202	H192-T195 PolarHBondContact O-OG1 2.86Å; H192-T195 VanDerWaalsContact O-OG1 3.07Å; L193-T195 PolarHBondContact O-N 3.01Å; T195-H202 PolarHBondContact O-CD2 3.04Å; T195-H202 PolarHBondContact O-CE1 3.16Å; T195-H202 PolarHBondContact O-NE2 3.22Å
196	I	38.7	Very low	52.3	Low	101 Å²	101	60.2 Å²	60.2	52%	0.518	32%	0.317	S	S	.	.			trans	-143.6	96.9	-178.3	-48.6	177.7	0	0	0	108.8	L193 P198	L193-I196 CarbonylContact O-C 3.57Å; L193-I196 PolarHBondContact O-N 2.82Å; L193-I196 VanDerWaalsContact O-O 3.05Å; I196-P198 WeakPolarHBondContact O-CD 3.18Å
197	N	43	Very low	54.6	Low	8 Å²	8	53 Å²	53	4%	0.043	28%	0.278	C	S	.	.			trans	-64.4	119.6	155.5	-179.3	-13.4	0	0	0	106.6	G180 I199 Q201 V203	G180-N197 PolarHBondContact O-ND2 2.91Å; N197-I199 PolarHBondContact O-N 3.06Å; N197-I199 WeakPolarHBondContact OD1-CB 3.49Å; N197-I199 PolarHBondContact OD1-N 3.06Å; N197-Q201 PolarHBondContact O-N 2.95Å; N197-V203 PolarHBondContact ND2-O 3.01Å; N197-V203 VanDerWaalsContact ND2-O 3.15Å
198	P	41.2	Very low	57	Low	75 Å²	75	51.2 Å²	51.2	49%	0.487	26%	0.26	S	S	.	.	S	Bend	trans	-65.9	-16.1	179.2	26.3	-33.1	0	0	0	113	I196	I196-P198 WeakPolarHBondContact O-CD 3.18Å
199	I	47.7	Very low	59.6	Low	30 Å²	30	49.5 Å²	49.5	15%	0.154	25%	0.246	C	C	.	.	S	Bend	trans	-78.1	-63	174.4	-54.1	-160	0	0	0	109.4	G180 N182 N197	G180-I199 WeakPolarHBondContact O-CD1 3.24Å; N182-I199 WeakPolarHBondContact OD1-CD1 3.31Å; N197-I199 PolarHBondContact O-N 3.06Å; N197-I199 WeakPolarHBondContact OD1-CB 3.49Å; N197-I199 PolarHBondContact OD1-N 3.06Å
200	R	44.5	Very low	62.3	Low	90 Å²	90	47.9 Å²	47.9	34%	0.34	24%	0.237	S	C	.	.	S	Bend	trans	-154.8	107.4	175.5	-65	-171	-176.5	-162.1	-7	111.3	H202 P376 E616	R200-H202 PolarHBondContact O-N 3.35Å; R200-P376 HydrophobicContact CB-CG 4.24Å; R200-E616 IonicContact CZ-OE2 3.71Å; R200-E616 IonicContact NH1-OE2 3.85Å; R200-E616 IonicContact NH2-OE2 2.83Å; R200-E616 PolarHBondContact NH2-OE2 3.49Å
201	Q	51.2	Low	65	Low	153 Å²	153	41.2 Å²	41.2	72%	0.715	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	3.6	105	165.6	-62.2	-178.2	-2	0	0	116.7	N197 V203	N197-Q201 PolarHBondContact O-N 2.95Å; Q201-V203 VanDerWaalsContact C-N 3.29Å; Q201-V203 PolarHBondContact O-N 2.96Å; Q201-V203 VanDerWaalsContact O-N 3.08Å
202	H	64.8	Low	67.9	Low	50 Å²	50	39.4 Å²	39.4	23%	0.231	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	1.8	162	-46.8	98.1	0	0	0	119.2	I36 T195 R200 L365	I36-H202 HydrophobicContact CD1-CB 4.16Å; I36-H202 WeakPolarHBondContact CD1-CD2 3.29Å; T195-H202 PolarHBondContact O-CD2 3.04Å; T195-H202 PolarHBondContact O-CE1 3.16Å; T195-H202 PolarHBondContact O-NE2 3.22Å; R200-H202 PolarHBondContact O-N 3.35Å; H202-L365 CarbonylContact O-C 3.51Å
203	V	82.5	Confident	70.7	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.012	17%	0.168	C	C	.	.			trans	-111	121.1	175.7	-173.2	0	0	0	0	111.1	N197 Q201 L365 Y377	N197-V203 PolarHBondContact ND2-O 3.01Å; N197-V203 VanDerWaalsContact ND2-O 3.15Å; Q201-V203 VanDerWaalsContact C-N 3.29Å; Q201-V203 PolarHBondContact O-N 2.96Å; Q201-V203 VanDerWaalsContact O-N 3.08Å; V203-L365 CarbonylContact C-O 3.52Å; V203-L365 WeakPolarHBondContact CA-O 3.35Å; V203-Y377 HydrophobicContact CG1-CD2 4.03Å; V203-Y377 HydrophobicContact CG1-CE2 4.19Å
204	L	88.3	Confident	73.4	Confident	4 Å²	4	29.7 Å²	29.7	2%	0.021	15%	0.15	C	C	.	.			trans	-86.4	143.7	172.8	-55.3	-179.5	0	0	0	109.6	R120 W181 V255 L365	R120-L204 PolarHBondContact NH1-O 3.34Å; W181-L204 HydrophobicContact CZ2-CD2 3.72Å; L204-V255 HydrophobicContact CD1-CG1 3.41Å; L204-V255 VanDerWaalsContact CD1-CG1 3.41Å; L204-L365 HydrophobicContact CD1-CB 3.84Å; L204-L365 HydrophobicContact CD1-CD1 4.45Å; L204-L365 HydrophobicContact CG-CB 4.07Å; L204-L365 WeakPolarHBondContact CG-O 3.33Å; L204-L365 PolarHBondContact N-O 2.99Å
205	L	89.2	Confident	75.8	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-63.2	-57.8	173.6	178	60.2	0	0	0	110.4	F113 L117 R120 S179 Y377 L380	F113-L205 HydrophobicContact CD2-CD2 3.83Å; F113-L205 HydrophobicContact CE2-CD2 3.82Å; L117-L205 HydrophobicContact CD2-CD1 4.07Å; L117-L205 HydrophobicContact CD2-CD2 4.14Å; L117-L205 HydrophobicContact CG-CD2 4.2Å; R120-L205 HydrophobicContact CB-CD1 3.61Å; R120-L205 HydrophobicContact CB-CG 4.47Å; R120-L205 HydrophobicContact CG-CD1 3.89Å; R120-L205 PolarHBondContact NH1-O 3.37Å; S179-L205 PolarHBondContact O-N 2.89Å; L205-Y377 HydrophobicContact CB-CD2 4.48Å; L205-Y377 HydrophobicContact CB-CE2 4.1Å; L205-Y377 HydrophobicContact CD1-CD1 3.78Å; L205-Y377 HydrophobicContact CD1-CD2 4.27Å; L205-Y377 HydrophobicContact CD1-CE1 4.07Å; L205-Y377 HydrophobicContact CD1-CG 3.88Å; L205-L380 HydrophobicContact CD1-CD1 4.14Å
206	V	92.3	Very high	78.5	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-147.7	142.1	177.8	169.2	0	0	0	0	108.6	G116 M119 R120 I138 V140 I178 S179	G116-V206 WeakPolarHBondContact O-CG2 3.24Å; M119-V206 HydrophobicContact CB-CG2 3.92Å; M119-V206 HydrophobicContact CE-CG1 4.05Å; M119-V206 HydrophobicContact SD-CG1 4.37Å; R120-V206 HydrophobicContact CB-CG2 4.34Å; I138-V206 HydrophobicContact CB-CG2 4.3Å; I138-V206 HydrophobicContact CG2-CG2 4.28Å; I138-V206 VanDerWaalsContact O-CG1 3.26Å; I138-V206 WeakPolarHBondContact O-CG1 2.92Å; V140-V206 HydrophobicContact CB-CG1 4.27Å; V140-V206 HydrophobicContact CG1-CG1 4.22Å; I178-V206 HydrophobicContact CD1-CB 4.5Å; I178-V206 HydrophobicContact CD1-CG1 4.28Å; I178-V206 HydrophobicContact CG1-CB 4.02Å; I178-V206 HydrophobicContact CG1-CG1 3.82Å; I178-V206 PolarHBondContact O-N 3.3Å; S179-V206 WeakPolarHBondContact CA-O 3.2Å
207	G	93.6	Very high	81.1	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	127.6	177.8	0	0	0	0	0	113.2	I138 V140 V255	I138-G207 PolarHBondContact O-N 3.29Å; V140-G207 WeakPolarHBondContact CG1-O 3.42Å; V140-G207 PolarHBondContact N-O 3.45Å; G207-V255 VanDerWaalsContact CA-CG2 3.49Å
208	A	95.4	Very high	83.4	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	143.2	172.9	0	0	0	0	0	113	V175 I178 A254 V255 G256	V175-A208 HydrophobicContact CB-CB 4.41Å; V175-A208 HydrophobicContact CG1-CB 4.25Å; V175-A208 HydrophobicContact CG2-CB 3.94Å; I178-A208 HydrophobicContact CG2-CB 3.77Å; A208-A254 HydrophobicContact CB-CB 4.23Å; A208-A254 CarbonylContact O-C 3.58Å; A208-V255 WeakPolarHBondContact O-CG2 3.42Å; A208-V255 PolarHBondContact O-N 3.37Å; A208-G256 PolarHBondContact O-N 2.02Å
209	N	96.5	Very high	86	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	104.4	173.9	-64.4	-96.3	0	0	0	110.9	V140 F141 A142 G256 F289	V140-N209 VanDerWaalsContact O-CB 3.22Å; V140-N209 WeakPolarHBondContact O-CB 3.13Å; V140-N209 PolarHBondContact O-N 3.02Å; V140-N209 PolarHBondContact O-ND2 2.88Å; F141-N209 HydrophobicContact CD1-CB 4.14Å; A142-N209 CarbonylContact C-O 3.53Å; A142-N209 VanDerWaalsContact C-O 3.23Å; A142-N209 PolarHBondContact N-O 2.96Å; A142-N209 VanDerWaalsContact N-O 3.1Å; A142-N209 CarbonylContact O-C 3.53Å; A142-N209 PolarHBondContact O-N 3.18Å; N209-G256 VanDerWaalsContact CA-O 3.27Å; N209-G256 WeakPolarHBondContact CA-O 3.25Å; N209-G256 WeakPolarHBondContact OD1-CA 3.4Å; N209-F289 WeakPolarHBondContact OD1-CE2 3.18Å; N209-F289 WeakPolarHBondContact OD1-CZ 3.31Å
210	C	97.6	Very high	88.3	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	140	178.5	-44.1	0	0	0	0	110	V145 F246 C249 A254 G256 V257 M258	V145-C210 HydrophobicContact CG2-CB 4.39Å; C210-F246 HydrophobicContact CB-CD1 4.28Å; C210-F246 HydrophobicContact CB-CE1 4.48Å; C210-C249 HydrophobicContact CB-CB 3.97Å; C210-C249 WeakPolarHBondContact CB-SG 3.44Å; C210-C249 WeakPolarHBondContact SG-CB 3.48Å; C210-C249 CovalentContact SG-SG 2.02Å; C210-C249 PolarHBondContact SG-SG 2.98Å; C210-A254 WeakPolarHBondContact SG-CB 3.42Å; C210-G256 PolarHBondContact N-O 3.32Å; C210-V257 HydrophobicContact CB-CG2 4.42Å; C210-V257 CarbonylContact O-C 3.57Å; C210-V257 WeakPolarHBondContact O-CA 3.46Å; C210-V257 WeakPolarHBondContact O-CG2 3.46Å; C210-M258 PolarHBondContact O-N 3.48Å
211	K	97.4	Very high	90.7	Very high	5 Å²	5	14.5 Å²	14.5	2%	0.022	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	156.3	179.9	69.8	-174.2	-168.6	-175.5	0	113.4	F141 P143 T144 V145 N146 M258	F141-K211 HydrophobicContact CB-CD 4.34Å; F141-K211 WeakPolarHBondContact O-CD 3.39Å; F141-K211 WeakPolarHBondContact O-CE 3.08Å; F141-K211 PolarHBondContact O-NZ 2.79Å; P143-K211 PolarHBondContact O-N 3.28Å; P143-K211 VanDerWaalsContact O-N 3.12Å; T144-K211 WeakPolarHBondContact CA-O 3.41Å; T144-K211 WeakPolarHBondContact OG1-CE 3.37Å; V145-K211 PolarHBondContact N-O 3.04Å; N146-K211 VanDerWaalsContact OD1-C 3.31Å; N146-K211 PolarHBondContact OD1-O 2.9Å; N146-K211 VanDerWaalsContact OD1-O 3.1Å; K211-M258 HydrophobicContact CB-CB 3.78Å; K211-M258 HydrophobicContact CB-SD 4.34Å; K211-M258 HydrophobicContact CD-SD 4.32Å
212	H	97.9	Very high	92.7	Very high	3 Å²	3	10.2 Å²	10.2	1%	0.014	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-110.4	118.6	-9.3	-40.7	69.6	0	0	0	107.6	N146 R155 A214 H216 F246 M258 A260 D293	N146-H212 PolarHBondContact ND2-O 3.21Å; N146-H212 VanDerWaalsContact ND2-O 3.1Å; N146-H212 PolarHBondContact OD1-N 2.84Å; N146-H212 PolarHBondContact OD1-ND1 3.29Å; N146-H212 VanDerWaalsContact OD1-ND1 3.09Å; R155-H212 PolarHBondContact NH1-CE1 3.22Å; R155-H212 PolarHBondContact NH1-NE2 3.23Å; R155-H212 PolarHBondContact NH2-CE1 3.24Å; R155-H212 PolarHBondContact NH2-NE2 2.76Å; H212-A214 WeakPolarHBondContact O-CA 3.26Å; H212-A214 PolarHBondContact O-N 3.34Å; H212-H216 HydrophobicContact CB-CB 3.87Å; H212-H216 AromaticContact CG-CD2 3.92Å; H212-H216 AromaticContact ND1-CD2 3.56Å; H212-F246 VanDerWaalsContact C-CZ 3.41Å; H212-F246 WeakPolarHBondContact O-CZ 2.85Å; H212-M258 CarbonylContact C-O 3.44Å; H212-M258 WeakPolarHBondContact CA-O 3.32Å; H212-A260 HydrophobicContact CB-CB 3.76Å; H212-D293 IonicContact CD2-OD2 2.64Å; H212-D293 PolarHBondContact CD2-OD2 3.43Å; H212-D293 IonicContact NE2-OD2 3.37Å
213	Y	98.5	Very high	94.2	Very high	1 Å²	1	11 Å²	11	0%	0.004	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	114.5	-169.4	-175.5	-111.9	0	0	0	110.6	L243 F246 M250 V257 M258 C259 A260 L275 L276 V279 L280 W284	Y213-L243 HydrophobicContact CE2-CD2 3.83Å; Y213-F246 HydrophobicContact CD2-CB 3.96Å; Y213-F246 AromaticContact CD2-CD1 3.62Å; Y213-F246 HydrophobicContact CD2-CD1 3.62Å; Y213-F246 HydrophobicContact CD2-CD2 4.2Å; Y213-F246 HydrophobicContact CD2-CE1 4.14Å; Y213-F246 AromaticContact CD2-CG 3.66Å; Y213-F246 HydrophobicContact CD2-CG 3.66Å; Y213-F246 HydrophobicContact CE2-CB 4.15Å; Y213-F246 HydrophobicContact CE2-CG 4.3Å; Y213-F246 HydrophobicContact CG-CD1 4.28Å; Y213-F246 HydrophobicContact CG-CE1 4.48Å; Y213-M250 HydrophobicContact CD2-CE 3.86Å; Y213-M250 HydrophobicContact CE2-CE 3.99Å; Y213-M250 HydrophobicContact CG-CE 4.24Å; Y213-V257 HydrophobicContact CG-CG2 3.96Å; Y213-M258 PolarHBondContact N-O 2.91Å; Y213-C259 WeakPolarHBondContact O-CA 3.26Å; Y213-A260 PolarHBondContact O-N 3.45Å; Y213-L275 HydrophobicContact CE1-CB 3.98Å; Y213-L275 HydrophobicContact CE1-CD2 4.48Å; Y213-L275 PolarHBondContact OH-O 2.98Å; Y213-L276 HydrophobicContact CD1-CD2 3.86Å; Y213-L276 HydrophobicContact CE1-CD2 3.99Å; Y213-V279 WeakPolarHBondContact OH-CG1 3.49Å; Y213-L280 HydrophobicContact CE1-CB 4.33Å; Y213-L280 HydrophobicContact CE1-CD2 4.45Å; Y213-W284 HydrophobicContact CE2-CH2 4.11Å; Y213-W284 AromaticContact CE2-CZ3 3.8Å; Y213-W284 HydrophobicContact CE2-CZ3 3.8Å
214	A	95.5	Very high	94.8	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	cis	-130.6	176.1	-5.4	0	0	0	0	0	110.2	H212 H216 L243 L275	H212-A214 WeakPolarHBondContact O-CA 3.26Å; H212-A214 PolarHBondContact O-N 3.34Å; A214-H216 PolarHBondContact O-N 3.04Å; A214-H216 VanDerWaalsContact O-N 3.07Å; A214-L243 HydrophobicContact CB-CD2 3.99Å; A214-L275 HydrophobicContact CB-CD2 4.41Å
215	A	95.8	Very high	95.2	Very high	1 Å²	1	15 Å²	15	1%	0.008	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	32	175.1	0	0	0	0	0	114.5	S217 A231 V233 Y242 V264 Y653	A215-S217 VanDerWaalsContact C-N 3.27Å; A215-S217 PolarHBondContact O-N 3.32Å; A215-S217 VanDerWaalsContact O-N 3.1Å; A215-A231 HydrophobicContact CB-CB 4.41Å; A215-V233 HydrophobicContact CB-CG2 3.94Å; A215-Y242 HydrophobicContact CB-CD1 4.08Å; A215-Y242 HydrophobicContact CB-CG 4.26Å; A215-V264 HydrophobicContact CB-CG2 4.28Å; A215-Y653 HydrophobicContact CB-CD1 4.19Å; A215-Y653 HydrophobicContact CB-CE1 3.95Å; A215-Y653 WeakPolarHBondContact O-CE1 3.39Å; A215-Y653 PolarHBondContact O-OH 3.33Å
216	H	96.1	Very high	95.5	Very high	6 Å²	6	15.9 Å²	15.9	3%	0.028	9%	0.093	C	C	.	.			trans	-84.8	71.6	169.5	-166.4	76.2	0	0	0	109.7	N146 W153 R155 H212 A214 E220 A260	N146-H216 VanDerWaalsContact CB-O 3.28Å; N146-H216 WeakPolarHBondContact CB-O 3.04Å; N146-H216 PolarHBondContact ND2-N 3.28Å; N146-H216 PolarHBondContact ND2-O 2.93Å; W153-H216 WeakPolarHBondContact CH2-O 3.35Å; W153-H216 VanDerWaalsContact CZ2-O 3.31Å; W153-H216 WeakPolarHBondContact CZ2-O 3.27Å; R155-H216 PolarHBondContact NH1-NE2 3.4Å; H212-H216 HydrophobicContact CB-CB 3.87Å; H212-H216 AromaticContact CG-CD2 3.92Å; H212-H216 AromaticContact ND1-CD2 3.56Å; A214-H216 PolarHBondContact O-N 3.04Å; A214-H216 VanDerWaalsContact O-N 3.07Å; H216-E220 IonicContact NE2-OE1 2.92Å; H216-A260 HydrophobicContact CB-CB 3.89Å
217	S	95	Very high	95.7	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.007	10%	0.1	C	C	.	.			trans	-141.4	50.9	-171.9	-57.9	0	0	0	0	110.1	N146 L147 R149 A215 Y653	N146-S217 WeakPolarHBondContact CB-OG 3.46Å; L147-S217 PolarHBondContact N-OG 2.79Å; L147-S217 WeakPolarHBondContact O-CB 3.41Å; L147-S217 PolarHBondContact O-OG 3.06Å; R149-S217 PolarHBondContact NE-O 3.37Å; R149-S217 PolarHBondContact NH2-O 3.09Å; A215-S217 VanDerWaalsContact C-N 3.27Å; A215-S217 PolarHBondContact O-N 3.32Å; A215-S217 VanDerWaalsContact O-N 3.1Å; S217-Y653 PolarHBondContact N-OH 3.28Å; S217-Y653 VanDerWaalsContact N-OH 3.16Å; S217-Y653 PolarHBondContact O-OH 3.34Å
218	G	91.2	Very high	95.8	Very high	4 Å²	4	19.3 Å²	19.3	4%	0.041	11%	0.114	C	C	.	.	S	Bend	trans	-160.1	-163.1	-169.9	0	0	0	0	0	110.5	W153 E220 Y653	W153-G218 PolarHBondContact NE1-O 3.45Å; G218-E220 PolarHBondContact O-N 2.88Å; G218-Y653 VanDerWaalsContact CA-OH 3.23Å; G218-Y653 WeakPolarHBondContact CA-OH 3.11Å; G218-Y653 PolarHBondContact N-OH 3.37Å
219	P	95.9	Very high	95.9	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.013	12%	0.118	C	C	.	.			trans	-59.9	134.1	-161.2	28.4	-36.8	0	0	0	112.4	D222 V224 R226 F229 I650 T651	P219-D222 WeakPolarHBondContact CB-O 3.25Å; P219-V224 HydrophobicContact CB-CG2 4.29Å; P219-V224 HydrophobicContact CG-CG2 3.48Å; P219-V224 VanDerWaalsContact CG-CG2 3.48Å; P219-R226 WeakPolarHBondContact O-CA 3.23Å; P219-R226 WeakPolarHBondContact O-CB 3.46Å; P219-F229 HydrophobicContact CG-CD1 4.39Å; P219-F229 HydrophobicContact CG-CD2 4.2Å; P219-F229 HydrophobicContact CG-CE2 4.49Å; P219-F229 HydrophobicContact CG-CG 4.12Å; P219-I650 HydrophobicContact CB-CD1 4.36Å; P219-I650 HydrophobicContact CB-CG2 4.45Å; P219-T651 HydrophobicContact CG-CG2 4.22Å
220	E	95.4	Very high	95.9	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-71.7	-50.1	168.5	-71.7	-60.3	118.2	0	0	111.3	W153 R155 H216 G218 R226 S515 D517	W153-E220 PolarHBondContact NE1-OE1 3.26Å; R155-E220 WeakPolarHBondContact CD-OE1 3.1Å; R155-E220 VanDerWaalsContact CD-OE2 3.24Å; R155-E220 WeakPolarHBondContact CD-OE2 3.23Å; R155-E220 VanDerWaalsContact CG-CD 3.49Å; R155-E220 HydrophobicContact CG-CG 4.06Å; R155-E220 WeakPolarHBondContact CG-OE1 2.91Å; H216-E220 IonicContact NE2-OE1 2.92Å; G218-E220 PolarHBondContact O-N 2.88Å; E220-R226 VanDerWaalsContact O-CB 3.24Å; E220-R226 WeakPolarHBondContact O-CB 3.28Å; E220-R226 WeakPolarHBondContact O-CD 3.28Å; E220-R226 VanDerWaalsContact O-CG 3.22Å; E220-R226 WeakPolarHBondContact O-CG 3.43Å; E220-R226 PolarHBondContact O-N 3.21Å; E220-R226 WeakPolarHBondContact OE2-CD 3.33Å; E220-R226 IonicContact OE2-CZ 2.95Å; E220-R226 IonicContact OE2-NE 3.65Å; E220-R226 PolarHBondContact OE2-NE 3.36Å; E220-R226 IonicContact OE2-NH1 3.76Å; E220-R226 PolarHBondContact OE2-NH1 3.27Å; E220-S515 PolarHBondContact OE2-N 2.99Å; E220-D517 VanDerWaalsContact CA-OD2 3.32Å; E220-D517 WeakPolarHBondContact CA-OD2 3.3Å; E220-D517 WeakPolarHBondContact CB-OD1 3.21Å; E220-D517 WeakPolarHBondContact CB-OD2 3.05Å; E220-D517 PolarHBondContact N-OD1 3.44Å; E220-D517 PolarHBondContact N-OD2 2.91Å
221	N	94.9	Very high	95.9	Very high	73 Å²	73	23 Å²	23	39%	0.39	13%	0.131	S	C	.	.	S	Bend	trans	-150.7	-9.2	174.5	-78.9	-48.1	0	0	0	115	V224 S225 S515 D517	N221-V224 CarbonylContact C-O 3.55Å; N221-V224 WeakPolarHBondContact CA-O 3.02Å; N221-V224 PolarHBondContact O-N 2.81Å; N221-S225 PolarHBondContact OD1-OG 2.76Å; N221-S515 WeakPolarHBondContact ND2-CA 3.37Å; N221-S515 VanDerWaalsContact ND2-CB 3.35Å; N221-S515 WeakPolarHBondContact ND2-CB 3.49Å; N221-S515 PolarHBondContact ND2-O 2.87Å; N221-D517 PolarHBondContact N-OD2 2.86Å
222	D	93.8	Very high	95.9	Very high	63 Å²	63	28 Å²	28	34%	0.337	16%	0.158	S	C	.	.	S	Bend	trans	-122.4	121.9	179.5	-176.9	38.8	0	0	0	111.4	P219 D517 H519	P219-D222 WeakPolarHBondContact CB-O 3.25Å; D222-D517 HydrophobicContact CB-CB 4.3Å; D222-D517 PolarHBondContact N-OD2 3.39Å; D222-H519 IonicContact OD2-CE1 3.85Å; D222-H519 PolarHBondContact OD2-CE1 3.24Å; D222-H519 IonicContact OD2-CG 3.19Å; D222-H519 IonicContact OD2-ND1 2.88Å; D222-H519 PolarHBondContact OD2-ND1 3.01Å
223	P	95.1	Very high	95.9	Very high	65 Å²	65	28.1 Å²	28.1	42%	0.422	16%	0.159	S	C	.	.	S	Bend	cis	-86.5	0	3	34.4	-35.7	0	0	0	115.1	T651	P223-T651 HydrophobicContact CG-CG2 4.08Å
224	V	95.5	Very high	95.8	Very high	58 Å²	58	29.8 Å²	29.8	35%	0.352	17%	0.17	S	C	.	.	S	Bend	trans	-141.9	149.3	-173.9	-68	0	0	0	0	110.3	P219 N221 F229 T651	P219-V224 HydrophobicContact CB-CG2 4.29Å; P219-V224 HydrophobicContact CG-CG2 3.48Å; P219-V224 VanDerWaalsContact CG-CG2 3.48Å; N221-V224 CarbonylContact C-O 3.55Å; N221-V224 WeakPolarHBondContact CA-O 3.02Å; N221-V224 PolarHBondContact O-N 2.81Å; V224-F229 HydrophobicContact CG2-CB 4.26Å; V224-F229 HydrophobicContact CG2-CD2 3.38Å; V224-F229 HydrophobicContact CG2-CE2 4.07Å; V224-F229 HydrophobicContact CG2-CG 4.08Å; V224-T651 HydrophobicContact CG2-CG2 3.98Å
225	S	96.5	Very high	95.8	Very high	34 Å²	34	33.9 Å²	33.9	24%	0.238	19%	0.189	C	C	.	.			trans	-71.3	131.4	-177.1	-168.8	0	0	0	0	112.3	N221 L227 S228 F229	N221-S225 PolarHBondContact OD1-OG 2.76Å; S225-L227 PolarHBondContact O-N 2.94Å; S225-L227 PolarHBondContact OG-N 2.93Å; S225-S228 PolarHBondContact O-N 3.29Å; S225-S228 VanDerWaalsContact O-N 3.17Å; S225-F229 WeakPolarHBondContact O-CB 3.34Å; S225-F229 PolarHBondContact O-N 2.64Å
226	R	95.9	Very high	95.7	Very high	18 Å²	18	35.9 Å²	35.9	7%	0.068	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-26.2	170.6	71	-166.7	-171.9	132.8	7	113.7	P219 E220 S228 Y261 E514	P219-R226 WeakPolarHBondContact O-CA 3.23Å; P219-R226 WeakPolarHBondContact O-CB 3.46Å; E220-R226 VanDerWaalsContact O-CB 3.24Å; E220-R226 WeakPolarHBondContact O-CB 3.28Å; E220-R226 WeakPolarHBondContact O-CD 3.28Å; E220-R226 VanDerWaalsContact O-CG 3.22Å; E220-R226 WeakPolarHBondContact O-CG 3.43Å; E220-R226 PolarHBondContact O-N 3.21Å; E220-R226 WeakPolarHBondContact OE2-CD 3.33Å; E220-R226 IonicContact OE2-CZ 2.95Å; E220-R226 IonicContact OE2-NE 3.65Å; E220-R226 PolarHBondContact OE2-NE 3.36Å; E220-R226 IonicContact OE2-NH1 3.76Å; E220-R226 PolarHBondContact OE2-NH1 3.27Å; R226-S228 PolarHBondContact O-N 3.17Å; R226-Y261 HydrophobicContact CG-CD2 4.43Å; R226-Y261 WeakPolarHBondContact O-CB 3.22Å; R226-E514 IonicContact CZ-OE1 3.65Å; R226-E514 VanDerWaalsContact NH1-CG 3.3Å; R226-E514 IonicContact NH1-OE1 2.92Å; R226-E514 PolarHBondContact NH1-OE1 3Å; R226-E514 IonicContact NH2-OE1 3.97Å; R226-E514 PolarHBondContact NH2-OE1 2.82Å
227	L	96.7	Very high	95.8	Very high	29 Å²	29	35.6 Å²	35.6	15%	0.152	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-18.1	-176.3	-58.2	-175.7	0	0	0	113.2	S225 Y261 F299 K303 H304	S225-L227 PolarHBondContact O-N 2.94Å; S225-L227 PolarHBondContact OG-N 2.93Å; L227-Y261 HydrophobicContact CD2-CD1 3.94Å; L227-Y261 HydrophobicContact CD2-CD2 3.94Å; L227-Y261 HydrophobicContact CD2-CE1 4Å; L227-Y261 HydrophobicContact CD2-CE2 4.02Å; L227-Y261 HydrophobicContact CD2-CG 3.91Å; L227-F299 HydrophobicContact CB-CD2 4.4Å; L227-F299 HydrophobicContact CD1-CE2 4.24Å; L227-F299 HydrophobicContact CD1-CZ 4.16Å; L227-F299 HydrophobicContact CD2-CD2 4.13Å; L227-F299 HydrophobicContact CD2-CE2 3.7Å; L227-F299 HydrophobicContact CD2-CZ 4.36Å; L227-F299 HydrophobicContact CG-CE2 4.41Å; L227-K303 HydrophobicContact CB-CG 4.26Å; L227-H304 PolarHBondContact O-NE2 3.48Å
228	S	95.8	Very high	95.9	Very high	43 Å²	43	35.6 Å²	35.6	30%	0.301	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-148.2	10.4	-180	59.3	0	0	0	0	114.6	S225 R226 E230 H304	S225-S228 PolarHBondContact O-N 3.29Å; S225-S228 VanDerWaalsContact O-N 3.17Å; R226-S228 PolarHBondContact O-N 3.17Å; S228-E230 PolarHBondContact O-N 3.28Å; S228-H304 VanDerWaalsContact CA-CE1 3.48Å; S228-H304 WeakPolarHBondContact CA-CE1 3.09Å
229	F	96.7	Very high	96.2	Very high	21 Å²	21	37.5 Å²	37.5	9%	0.092	20%	0.203	C	C	.	.			trans	-62.5	136.6	178.7	170.3	-110	0	0	0	111	P219 V224 S225 A231 S262 G263 T651 Y653	P219-F229 HydrophobicContact CG-CD1 4.39Å; P219-F229 HydrophobicContact CG-CD2 4.2Å; P219-F229 HydrophobicContact CG-CE2 4.49Å; P219-F229 HydrophobicContact CG-CG 4.12Å; V224-F229 HydrophobicContact CG2-CB 4.26Å; V224-F229 HydrophobicContact CG2-CD2 3.38Å; V224-F229 HydrophobicContact CG2-CE2 4.07Å; V224-F229 HydrophobicContact CG2-CG 4.08Å; S225-F229 WeakPolarHBondContact O-CB 3.34Å; S225-F229 PolarHBondContact O-N 2.64Å; F229-A231 HydrophobicContact CE1-CB 3.87Å; F229-S262 CarbonylContact O-C 3.51Å; F229-S262 WeakPolarHBondContact O-CA 3.46Å; F229-S262 WeakPolarHBondContact O-CB 3.38Å; F229-G263 PolarHBondContact O-N 2.92Å; F229-T651 HydrophobicContact CE2-CG2 3.82Å; F229-T651 HydrophobicContact CZ-CG2 4.4Å; F229-Y653 HydrophobicContact CD1-CE2 4.45Å; F229-Y653 HydrophobicContact CE1-CD2 4.05Å; F229-Y653 AromaticContact CE1-CE2 3.26Å; F229-Y653 HydrophobicContact CE1-CE2 3.26Å; F229-Y653 AromaticContact CE1-CZ 3.75Å; F229-Y653 HydrophobicContact CZ-CD2 4.01Å; F229-Y653 AromaticContact CZ-CE2 3.57Å; F229-Y653 HydrophobicContact CZ-CE2 3.57Å
230	E	96.8	Very high	96.2	Very high	56 Å²	56	38 Å²	38	26%	0.262	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	115.5	176.7	-178.5	57	-118.8	0	0	110.1	S228 D232 G263 V264 N265 G266	S228-E230 PolarHBondContact O-N 3.28Å; E230-D232 PolarHBondContact O-N 3.39Å; E230-G263 WeakPolarHBondContact OE2-CA 3.34Å; E230-V264 WeakPolarHBondContact OE1-CA 3.39Å; E230-V264 PolarHBondContact OE1-N 3.43Å; E230-V264 VanDerWaalsContact OE1-N 3.12Å; E230-N265 PolarHBondContact OE1-N 3.32Å; E230-G266 PolarHBondContact OE1-N 3.19Å; E230-G266 WeakPolarHBondContact OE2-CA 3.27Å
231	A	97.3	Very high	96.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	102.6	177.2	0	0	0	0	0	110.5	A215 F229 V233 G263 N265 Y653	A215-A231 HydrophobicContact CB-CB 4.41Å; F229-A231 HydrophobicContact CE1-CB 3.87Å; A231-V233 HydrophobicContact CB-CG2 4.04Å; A231-V233 PolarHBondContact O-N 2.97Å; A231-G263 WeakPolarHBondContact CB-O 3.01Å; A231-G263 PolarHBondContact N-O 3.38Å; A231-N265 PolarHBondContact O-N 2.95Å; A231-N265 PolarHBondContact O-OD1 3.47Å; A231-Y653 HydrophobicContact CB-CD1 3.99Å; A231-Y653 HydrophobicContact CB-CD2 4.23Å; A231-Y653 HydrophobicContact CB-CE1 3.94Å; A231-Y653 HydrophobicContact CB-CE2 4.18Å; A231-Y653 HydrophobicContact CB-CG 4.13Å
232	D	97.5	Very high	96.4	Very high	111 Å²	111	35 Å²	35	59%	0.594	19%	0.188	S	C	*	.			trans	-80.1	92	171.6	-68.2	-45	0	0	0	110.7	E230 Y653	E230-D232 PolarHBondContact O-N 3.39Å; D232-Y653 WeakPolarHBondContact O-CB 3.33Å
233	V	97.7	Very high	96.6	Very high	4 Å²	4	32 Å²	32	2%	0.024	17%	0.173	C	C	.	.			trans	-103.9	117.6	-176.3	-163.4	0	0	0	0	110.7	A215 A231 E235 D237 L238 Y242 V264 N265 Y653	A215-V233 HydrophobicContact CB-CG2 3.94Å; A231-V233 HydrophobicContact CB-CG2 4.04Å; A231-V233 PolarHBondContact O-N 2.97Å; V233-E235 PolarHBondContact O-N 3.32Å; V233-D237 HydrophobicContact CG1-CB 4.17Å; V233-L238 HydrophobicContact CG1-CB 3.94Å; V233-L238 HydrophobicContact CG1-CD1 4.26Å; V233-Y242 HydrophobicContact CG1-CD2 3.57Å; V233-Y242 HydrophobicContact CG1-CE2 3.5Å; V233-Y242 VanDerWaalsContact CG1-CE2 3.5Å; V233-V264 HydrophobicContact CG2-CG1 4.36Å; V233-N265 PolarHBondContact N-OD1 3.33Å; V233-N265 PolarHBondContact O-ND2 2.98Å; V233-N265 PolarHBondContact O-OD1 2.92Å; V233-N265 VanDerWaalsContact O-OD1 3.11Å; V233-Y653 HydrophobicContact CG2-CD1 3.81Å; V233-Y653 HydrophobicContact CG2-CG 4.16Å
234	P	96.5	Very high	96.8	Very high	36 Å²	36	31 Å²	31	23%	0.234	17%	0.166	C	C	.	.			trans	-54.2	137.8	168.3	-25	35	0	0	0	111.1	H236 D237 L238 K654	P234-H236 VanDerWaalsContact C-N 3.25Å; P234-H236 PolarHBondContact O-N 3.46Å; P234-D237 HydrophobicContact CB-CB 4.46Å; P234-D237 PolarHBondContact O-N 3.12Å; P234-L238 PolarHBondContact O-N 2.83Å; P234-K654 HydrophobicContact CG-CB 3.79Å; P234-K654 HydrophobicContact CG-CD 4.46Å; P234-K654 HydrophobicContact CG-CG 3.94Å
235	E	95.4	Very high	96.9	Very high	87 Å²	87	28.3 Å²	28.3	41%	0.407	15%	0.15	S	C	.	.	H	α-helix	trans	-56.4	-40.7	-172.6	-164.7	179.9	177.9	0	0	112.5	V233 D237 L238 W239 W791	V233-E235 PolarHBondContact O-N 3.32Å; E235-D237 VanDerWaalsContact C-N 3.31Å; E235-D237 PolarHBondContact O-N 2.89Å; E235-L238 WeakPolarHBondContact O-CB 3.38Å; E235-L238 PolarHBondContact O-N 2.93Å; E235-W239 PolarHBondContact O-N 2.93Å; E235-W239 VanDerWaalsContact O-N 3.12Å; E235-W791 HydrophobicContact CB-CH2 4Å; E235-W791 HydrophobicContact CB-CZ2 4.12Å; E235-W791 VanDerWaalsContact CD-CH2 3.42Å; E235-W791 HydrophobicContact CG-CH2 3.5Å; E235-W791 VanDerWaalsContact CG-CH2 3.5Å; E235-W791 HydrophobicContact CG-CZ2 4.1Å; E235-W791 HydrophobicContact CG-CZ3 4.25Å
236	H	95.2	Very high	96.9	Very high	42 Å²	42	26.8 Å²	26.8	19%	0.194	14%	0.139	C	C	.	.	H	α-helix	trans	-60.6	-38.9	176.2	66.9	78.1	0	0	0	112.5	P234 W239 M240 W791	P234-H236 VanDerWaalsContact C-N 3.25Å; P234-H236 PolarHBondContact O-N 3.46Å; H236-W239 PolarHBondContact O-N 3.2Å; H236-M240 HydrophobicContact CB-CE 3.84Å; H236-M240 VanDerWaalsContact O-CB 3.27Å; H236-M240 WeakPolarHBondContact O-CB 3.21Å; H236-M240 WeakPolarHBondContact O-CE 3.33Å; H236-M240 VanDerWaalsContact O-CG 3.25Å; H236-M240 WeakPolarHBondContact O-CG 3.38Å; H236-M240 PolarHBondContact O-N 3.48Å; H236-W791 HydrophobicContact CB-CB 4.05Å; H236-W791 HydrophobicContact CB-CD2 3.59Å; H236-W791 HydrophobicContact CB-CE3 4.25Å; H236-W791 HydrophobicContact CB-CG 3.45Å; H236-W791 VanDerWaalsContact CB-CG 3.45Å
237	D	97.3	Very high	96.9	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-73.4	-35.5	179.1	-69.5	-26.6	0	0	0	111.6	V233 P234 E235 W239 M240 T241 Y242 K654 M655	V233-D237 HydrophobicContact CG1-CB 4.17Å; P234-D237 HydrophobicContact CB-CB 4.46Å; P234-D237 PolarHBondContact O-N 3.12Å; E235-D237 VanDerWaalsContact C-N 3.31Å; E235-D237 PolarHBondContact O-N 2.89Å; D237-W239 VanDerWaalsContact C-N 3.31Å; D237-W239 PolarHBondContact O-N 3.32Å; D237-M240 PolarHBondContact O-N 2.86Å; D237-T241 WeakPolarHBondContact O-CA 3.33Å; D237-T241 VanDerWaalsContact O-CB 3.25Å; D237-T241 WeakPolarHBondContact O-CB 3.48Å; D237-T241 PolarHBondContact O-N 2.83Å; D237-Y242 HydrophobicContact CB-CE2 4.15Å; D237-Y242 WeakPolarHBondContact O-CD2 3.27Å; D237-Y242 PolarHBondContact O-N 3.42Å; D237-K654 WeakPolarHBondContact OD2-CA 3.1Å; D237-M655 HydrophobicContact CB-CB 4.45Å; D237-M655 HydrophobicContact CB-CG 3.96Å; D237-M655 PolarHBondContact OD2-N 3.03Å
238	L	97.4	Very high	96.8	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	14%	0.144	C	C	.	.	I	π-helix	trans	-56.3	-49.4	173.1	-167.9	58.8	0	0	0	110.2	V233 P234 E235 Y242 L243 W274	V233-L238 HydrophobicContact CG1-CB 3.94Å; V233-L238 HydrophobicContact CG1-CD1 4.26Å; P234-L238 PolarHBondContact O-N 2.83Å; E235-L238 WeakPolarHBondContact O-CB 3.38Å; E235-L238 PolarHBondContact O-N 2.93Å; L238-Y242 PolarHBondContact O-N 3.42Å; L238-L243 HydrophobicContact CD1-CD1 4.41Å; L238-L243 HydrophobicContact CD1-CD2 4.28Å; L238-L243 HydrophobicContact CD1-CG 4.02Å; L238-L243 HydrophobicContact CG-CD1 3.82Å; L238-L243 HydrophobicContact CG-CG 3.93Å; L238-L243 VanDerWaalsContact O-CB 3.29Å; L238-L243 WeakPolarHBondContact O-CB 3.2Å; L238-L243 VanDerWaalsContact O-CG 3.26Å; L238-L243 WeakPolarHBondContact O-CG 3.24Å; L238-L243 PolarHBondContact O-N 3.48Å; L238-W274 HydrophobicContact CD2-CH2 3.62Å; L238-W274 HydrophobicContact CD2-CZ3 3.49Å; L238-W274 VanDerWaalsContact CD2-CZ3 3.49Å
239	W	97.1	Very high	96.8	Very high	44 Å²	44	26.5 Å²	26.5	17%	0.167	13%	0.13	C	C	.	.	I	π-helix	trans	-72.9	-38.3	179.8	-74.2	107.1	0	0	0	114.8	E235 H236 D237 L243 P244 W274 V279 W284 W791 M798	E235-W239 PolarHBondContact O-N 2.93Å; E235-W239 VanDerWaalsContact O-N 3.12Å; H236-W239 PolarHBondContact O-N 3.2Å; D237-W239 VanDerWaalsContact C-N 3.31Å; D237-W239 PolarHBondContact O-N 3.32Å; W239-L243 HydrophobicContact CD2-CD1 4.11Å; W239-L243 HydrophobicContact CE3-CD1 3.99Å; W239-L243 HydrophobicContact CH2-CD1 4.23Å; W239-L243 HydrophobicContact CZ2-CD1 4.41Å; W239-L243 HydrophobicContact CZ3-CD1 4.06Å; W239-P244 WeakPolarHBondContact O-CD 3.4Å; W239-P244 VanDerWaalsContact O-CG 3.29Å; W239-P244 WeakPolarHBondContact O-CG 3.48Å; W239-W274 AromaticContact CZ2-CH2 3.98Å; W239-W274 HydrophobicContact CZ2-CH2 3.98Å; W239-W274 AromaticContact CZ2-CZ2 3.97Å; W239-W274 HydrophobicContact CZ2-CZ2 3.97Å; W239-V279 HydrophobicContact CH2-CG1 4.04Å; W239-V279 HydrophobicContact CH2-CG2 4.06Å; W239-V279 HydrophobicContact CZ2-CG2 4.09Å; W239-W284 HydrophobicContact CZ3-CZ2 4.31Å; W239-W791 HydrophobicContact CB-CE3 4.44Å; W239-W791 HydrophobicContact CB-CZ3 4.38Å; W239-W791 AromaticContact CD1-CZ3 3.37Å; W239-W791 HydrophobicContact CG-CZ3 4.03Å; W239-M798 HydrophobicContact CB-CG 3.79Å; W239-M798 HydrophobicContact CB-SD 3.93Å; W239-M798 HydrophobicContact CD2-CG 4.5Å; W239-M798 HydrophobicContact CG-CG 4.17Å
240	M	96.2	Very high	96.7	Very high	13 Å²	13	25.8 Å²	25.8	6%	0.064	13%	0.126	C	C	.	.	I	π-helix	trans	-89.7	-15.5	-174.6	-66.7	-173.1	-59.6	0	0	114.5	H236 D237 R661 T757 W791 M798	H236-M240 HydrophobicContact CB-CE 3.84Å; H236-M240 VanDerWaalsContact O-CB 3.27Å; H236-M240 WeakPolarHBondContact O-CB 3.21Å; H236-M240 WeakPolarHBondContact O-CE 3.33Å; H236-M240 VanDerWaalsContact O-CG 3.25Å; H236-M240 WeakPolarHBondContact O-CG 3.38Å; H236-M240 PolarHBondContact O-N 3.48Å; D237-M240 PolarHBondContact O-N 2.86Å; M240-R661 PolarHBondContact O-NH1 2.95Å; M240-R661 PolarHBondContact O-NH2 2.84Å; M240-T757 HydrophobicContact CE-CG2 3.9Å; M240-T757 VanDerWaalsContact SD-O 3.4Å; M240-W791 HydrophobicContact CE-CB 4.41Å; M240-W791 HydrophobicContact SD-CB 4.02Å; M240-M798 HydrophobicContact CG-CE 4.04Å; M240-M798 HydrophobicContact CG-SD 3.82Å
241	T	97.1	Very high	96.4	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.012	13%	0.125	C	C	.	.	I	π-helix	trans	-131.5	-55.5	-171.1	-60.8	0	0	0	0	112.9	L147 P164 D237 M655 R661 Y662	L147-T241 HydrophobicContact CD1-CG2 3.59Å; L147-T241 WeakPolarHBondContact CD1-O 3.28Å; P164-T241 HydrophobicContact CG-CG2 4.25Å; D237-T241 WeakPolarHBondContact O-CA 3.33Å; D237-T241 VanDerWaalsContact O-CB 3.25Å; D237-T241 WeakPolarHBondContact O-CB 3.48Å; D237-T241 PolarHBondContact O-N 2.83Å; T241-M655 HydrophobicContact CG2-CE 4.04Å; T241-M655 HydrophobicContact CG2-CG 4.07Å; T241-M655 HydrophobicContact CG2-SD 4Å; T241-R661 PolarHBondContact OG1-NH1 3.48Å; T241-Y662 PolarHBondContact OG1-OH 3.01Å
242	Y	97.8	Very high	96	Very high	7 Å²	7	25.4 Å²	25.4	3%	0.027	13%	0.125	C	C	.	.	I	π-helix	trans	-87.2	-30	-168.7	-61.2	-84.5	0	0	0	114.7	R149 A215 V233 D237 L238 F246 Y653 M655	R149-Y242 WeakPolarHBondContact CD-OH 3.27Å; A215-Y242 HydrophobicContact CB-CD1 4.08Å; A215-Y242 HydrophobicContact CB-CG 4.26Å; V233-Y242 HydrophobicContact CG1-CD2 3.57Å; V233-Y242 HydrophobicContact CG1-CE2 3.5Å; V233-Y242 VanDerWaalsContact CG1-CE2 3.5Å; D237-Y242 HydrophobicContact CB-CE2 4.15Å; D237-Y242 WeakPolarHBondContact O-CD2 3.27Å; D237-Y242 PolarHBondContact O-N 3.42Å; L238-Y242 PolarHBondContact O-N 3.42Å; Y242-F246 WeakPolarHBondContact O-CD2 3.25Å; Y242-Y653 AromaticContact CE1-CD1 3.66Å; Y242-Y653 HydrophobicContact CE1-CD1 3.66Å; Y242-Y653 AromaticContact CE1-CE1 3.88Å; Y242-Y653 HydrophobicContact CE1-CE1 3.88Å; Y242-Y653 HydrophobicContact CE2-CD1 4.35Å; Y242-Y653 AromaticContact CZ-CD1 3.54Å; Y242-Y653 VanDerWaalsContact OH-CD1 3.3Å; Y242-Y653 WeakPolarHBondContact OH-CD1 3.43Å; Y242-Y653 PolarHBondContact OH-O 3.31Å; Y242-M655 HydrophobicContact CE2-CG 4.26Å; Y242-M655 HydrophobicContact CE2-SD 4.31Å
243	L	98.2	Very high	95.6	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	10%	0.098	C	C	.	.	S	Bend	trans	-86.8	-31	-179.1	-67.7	-179.3	0	0	0	116.3	Y213 A214 L238 W239 A245 F246 R247 L275 V279 W284	Y213-L243 HydrophobicContact CE2-CD2 3.83Å; A214-L243 HydrophobicContact CB-CD2 3.99Å; L238-L243 HydrophobicContact CD1-CD1 4.41Å; L238-L243 HydrophobicContact CD1-CD2 4.28Å; L238-L243 HydrophobicContact CD1-CG 4.02Å; L238-L243 HydrophobicContact CG-CD1 3.82Å; L238-L243 HydrophobicContact CG-CG 3.93Å; L238-L243 VanDerWaalsContact O-CB 3.29Å; L238-L243 WeakPolarHBondContact O-CB 3.2Å; L238-L243 VanDerWaalsContact O-CG 3.26Å; L238-L243 WeakPolarHBondContact O-CG 3.24Å; L238-L243 PolarHBondContact O-N 3.48Å; W239-L243 HydrophobicContact CD2-CD1 4.11Å; W239-L243 HydrophobicContact CE3-CD1 3.99Å; W239-L243 HydrophobicContact CH2-CD1 4.23Å; W239-L243 HydrophobicContact CZ2-CD1 4.41Å; W239-L243 HydrophobicContact CZ3-CD1 4.06Å; L243-A245 PolarHBondContact O-N 2.86Å; L243-F246 PolarHBondContact O-N 3.19Å; L243-F246 VanDerWaalsContact O-N 3.15Å; L243-R247 PolarHBondContact O-N 3.19Å; L243-L275 HydrophobicContact CD2-CD2 4.42Å; L243-V279 HydrophobicContact CD1-CG1 4.41Å; L243-W284 HydrophobicContact CB-CH2 3.89Å; L243-W284 HydrophobicContact CB-CZ2 3.96Å; L243-W284 HydrophobicContact CD1-CZ2 4.25Å; L243-W284 HydrophobicContact CD2-CH2 3.91Å; L243-W284 HydrophobicContact CD2-CZ2 4.46Å; L243-W284 HydrophobicContact CG-CH2 4.31Å; L243-W284 HydrophobicContact CG-CZ2 4.46Å
244	P	97.3	Very high	95.4	Very high	44 Å²	44	20.3 Å²	20.3	29%	0.286	10%	0.099	S	C	.	.	H	α-helix	trans	-54.5	-45.6	-173.2	-31	36.6	0	0	0	115.1	P164 W239 F246 R247 A248	P164-P244 HydrophobicContact CB-CB 4.18Å; P164-P244 HydrophobicContact CB-CG 4.41Å; W239-P244 WeakPolarHBondContact O-CD 3.4Å; W239-P244 VanDerWaalsContact O-CG 3.29Å; W239-P244 WeakPolarHBondContact O-CG 3.48Å; P244-F246 PolarHBondContact O-N 3.38Å; P244-R247 PolarHBondContact O-N 3.03Å; P244-A248 WeakPolarHBondContact O-CB 3.34Å; P244-A248 PolarHBondContact O-N 2.95Å
245	A	97.5	Very high	95.3	Very high	1 Å²	1	19 Å²	19	1%	0.008	9%	0.09	C	C	.	.	H	α-helix	trans	-67	-36.2	-179.8	0	0	0	0	0	112.6	V145 A167 A168 L243 A248 C249	V145-A245 HydrophobicContact CB-CB 4.21Å; A167-A245 HydrophobicContact CB-CB 3.97Å; A168-A245 HydrophobicContact CB-CB 4.5Å; L243-A245 PolarHBondContact O-N 2.86Å; A245-A248 PolarHBondContact O-N 3.19Å; A245-C249 VanDerWaalsContact O-CB 3.28Å; A245-C249 WeakPolarHBondContact O-CB 3.49Å; A245-C249 PolarHBondContact O-N 3.43Å
246	F	98.3	Very high	95.3	Very high	1 Å²	1	14.8 Å²	14.8	0%	0.004	7%	0.071	C	C	.	.	H	α-helix	trans	-65.1	-46.3	172.5	-79.5	-81.1	0	0	0	112	V145 C210 H212 Y213 Y242 L243 P244 A248 C249 M250 V257 W284	V145-F246 HydrophobicContact CG2-CD1 3.47Å; V145-F246 VanDerWaalsContact CG2-CD1 3.47Å; V145-F246 HydrophobicContact CG2-CD2 3.86Å; V145-F246 HydrophobicContact CG2-CE1 3.38Å; V145-F246 HydrophobicContact CG2-CE2 3.77Å; V145-F246 HydrophobicContact CG2-CG 3.71Å; V145-F246 HydrophobicContact CG2-CZ 3.52Å; C210-F246 HydrophobicContact CB-CD1 4.28Å; C210-F246 HydrophobicContact CB-CE1 4.48Å; H212-F246 VanDerWaalsContact C-CZ 3.41Å; H212-F246 WeakPolarHBondContact O-CZ 2.85Å; Y213-F246 HydrophobicContact CD2-CB 3.96Å; Y213-F246 AromaticContact CD2-CD1 3.62Å; Y213-F246 HydrophobicContact CD2-CD1 3.62Å; Y213-F246 HydrophobicContact CD2-CD2 4.2Å; Y213-F246 HydrophobicContact CD2-CE1 4.14Å; Y213-F246 AromaticContact CD2-CG 3.66Å; Y213-F246 HydrophobicContact CD2-CG 3.66Å; Y213-F246 HydrophobicContact CE2-CB 4.15Å; Y213-F246 HydrophobicContact CE2-CG 4.3Å; Y213-F246 HydrophobicContact CG-CD1 4.28Å; Y213-F246 HydrophobicContact CG-CE1 4.48Å; Y242-F246 WeakPolarHBondContact O-CD2 3.25Å; L243-F246 PolarHBondContact O-N 3.19Å; L243-F246 VanDerWaalsContact O-N 3.15Å; P244-F246 PolarHBondContact O-N 3.38Å; F246-A248 VanDerWaalsContact C-N 3.27Å; F246-A248 PolarHBondContact O-N 3.01Å; F246-C249 PolarHBondContact O-N 3.04Å; F246-M250 HydrophobicContact CB-CE 4.17Å; F246-M250 HydrophobicContact CD1-CE 4.22Å; F246-M250 WeakPolarHBondContact O-CB 3.16Å; F246-M250 VanDerWaalsContact O-CG 3.27Å; F246-M250 WeakPolarHBondContact O-CG 3.45Å; F246-M250 PolarHBondContact O-N 3.47Å; F246-V257 HydrophobicContact CD1-CG2 4.4Å; F246-W284 HydrophobicContact CB-CH2 4.39Å; F246-W284 HydrophobicContact CB-CZ3 4.27Å
247	R	96	Very high	95.5	Very high	83 Å²	83	12.8 Å²	12.8	31%	0.313	6%	0.061	S	C	.	.	H	α-helix	trans	-56.6	-46.1	176	-175.1	176.6	168.8	-155.3	-18.5	110.5	L243 P244 M250 E251 W284 D786	L243-R247 PolarHBondContact O-N 3.19Å; P244-R247 PolarHBondContact O-N 3.03Å; R247-M250 PolarHBondContact O-N 3.49Å; R247-E251 HydrophobicContact CG-CG 4.28Å; R247-E251 IonicContact CZ-OE1 3.41Å; R247-E251 IonicContact NE-OE1 3Å; R247-E251 PolarHBondContact NE-OE1 2.99Å; R247-E251 IonicContact NH2-OE1 2.9Å; R247-E251 PolarHBondContact NH2-OE1 3.42Å; R247-E251 VanDerWaalsContact O-CB 3.28Å; R247-E251 WeakPolarHBondContact O-CB 3.41Å; R247-E251 VanDerWaalsContact O-CG 3.27Å; R247-E251 WeakPolarHBondContact O-CG 3.36Å; R247-E251 PolarHBondContact O-N 3.44Å; R247-W284 HydrophobicContact CB-CD2 4.19Å; R247-W284 HydrophobicContact CB-CE3 4.24Å; R247-W284 HydrophobicContact CB-CH2 3.75Å; R247-W284 HydrophobicContact CB-CZ2 3.72Å; R247-W284 HydrophobicContact CB-CZ3 4.03Å; R247-W284 HydrophobicContact CG-CD2 4.01Å; R247-W284 HydrophobicContact CG-CE3 4.44Å; R247-W284 HydrophobicContact CG-CG 4.36Å; R247-W284 HydrophobicContact CG-CZ2 4.19Å; R247-D786 IonicContact CZ-OD2 3.76Å; R247-D786 IonicContact NH1-OD2 3.75Å; R247-D786 PolarHBondContact NH1-OD2 3.14Å; R247-D786 VanDerWaalsContact NH1-OD2 3.16Å; R247-D786 IonicContact NH2-OD2 3.14Å; R247-D786 PolarHBondContact NH2-OD2 2.86Å
248	A	94.5	Very high	95.5	Very high	2 Å²	2	13 Å²	13	2%	0.017	6%	0.062	C	C	.	.	H	α-helix	trans	-62.8	-44.2	178.1	0	0	0	0	0	112.9	A168 R172 P244 A245 F246 M250 E251 A252	A168-A248 HydrophobicContact CB-CB 3.49Å; A168-A248 VanDerWaalsContact CB-CB 3.49Å; R172-A248 HydrophobicContact CG-CB 4.14Å; R172-A248 PolarHBondContact NH1-O 2.98Å; P244-A248 WeakPolarHBondContact O-CB 3.34Å; P244-A248 PolarHBondContact O-N 2.95Å; A245-A248 PolarHBondContact O-N 3.19Å; F246-A248 VanDerWaalsContact C-N 3.27Å; F246-A248 PolarHBondContact O-N 3.01Å; A248-M250 PolarHBondContact O-N 3.39Å; A248-E251 PolarHBondContact O-N 2.95Å; A248-A252 WeakPolarHBondContact O-CB 3.48Å; A248-A252 PolarHBondContact O-N 3.05Å
249	C	95.7	Very high	95.6	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61.5	-41.7	177.9	-170.8	0	0	0	0	112	V145 A171 C210 A245 F246 A252 A254	V145-C249 HydrophobicContact CG1-CB 4.16Å; A171-C249 HydrophobicContact CB-CB 4.02Å; C210-C249 HydrophobicContact CB-CB 3.97Å; C210-C249 WeakPolarHBondContact CB-SG 3.44Å; C210-C249 WeakPolarHBondContact SG-CB 3.48Å; C210-C249 CovalentContact SG-SG 2.02Å; C210-C249 PolarHBondContact SG-SG 2.98Å; A245-C249 VanDerWaalsContact O-CB 3.28Å; A245-C249 WeakPolarHBondContact O-CB 3.49Å; A245-C249 PolarHBondContact O-N 3.43Å; F246-C249 PolarHBondContact O-N 3.04Å; C249-A252 PolarHBondContact O-N 3.39Å; C249-A254 WeakPolarHBondContact O-CB 3.11Å; C249-A254 PolarHBondContact O-N 2.98Å
250	M	93.2	Very high	95.6	Very high	5 Å²	5	10.9 Å²	10.9	3%	0.025	5%	0.054	C	C	.	.	H	α-helix	trans	-72.4	-43.6	177	-68.2	167.5	-169.6	0	0	113	Y213 F246 R247 A248 A252 G253 V257 L280 W284 Y286	Y213-M250 HydrophobicContact CD2-CE 3.86Å; Y213-M250 HydrophobicContact CE2-CE 3.99Å; Y213-M250 HydrophobicContact CG-CE 4.24Å; F246-M250 HydrophobicContact CB-CE 4.17Å; F246-M250 HydrophobicContact CD1-CE 4.22Å; F246-M250 WeakPolarHBondContact O-CB 3.16Å; F246-M250 VanDerWaalsContact O-CG 3.27Å; F246-M250 WeakPolarHBondContact O-CG 3.45Å; F246-M250 PolarHBondContact O-N 3.47Å; R247-M250 PolarHBondContact O-N 3.49Å; A248-M250 PolarHBondContact O-N 3.39Å; M250-A252 PolarHBondContact O-N 2.88Å; M250-G253 PolarHBondContact O-N 2.87Å; M250-V257 HydrophobicContact CE-CB 3.88Å; M250-V257 HydrophobicContact CE-CG1 4.11Å; M250-V257 HydrophobicContact CE-CG2 3.53Å; M250-L280 HydrophobicContact CE-CD1 3.48Å; M250-L280 VanDerWaalsContact CE-CD1 3.48Å; M250-L280 HydrophobicContact SD-CD1 3.2Å; M250-L280 WeakPolarHBondContact SD-CD1 3.48Å; M250-W284 HydrophobicContact CE-CZ3 4.15Å; M250-W284 HydrophobicContact SD-CE3 3.55Å; M250-W284 VanDerWaalsContact SD-CE3 3.55Å; M250-W284 HydrophobicContact SD-CZ3 3.63Å; M250-Y286 HydrophobicContact CB-CD2 3.62Å; M250-Y286 HydrophobicContact CB-CE2 3.78Å; M250-Y286 HydrophobicContact CB-CG 4.34Å; M250-Y286 HydrophobicContact CG-CD2 3.91Å; M250-Y286 HydrophobicContact CG-CE2 3.84Å; M250-Y286 HydrophobicContact CG-CG 4.3Å; M250-Y286 HydrophobicContact SD-CD2 4.44Å; M250-Y286 HydrophobicContact SD-CG 4.28Å
251	E	90.7	Very high	95.7	Very high	48 Å²	48	10.9 Å²	10.9	22%	0.224	5%	0.054	C	C	.	.	H	α-helix	trans	-61.7	-32.9	174.6	-78.3	175.5	172	0	0	111.4	R172 V191 R247 A248 G253	R172-E251 IonicContact CZ-OE2 3.65Å; R172-E251 IonicContact NH1-OE2 3.81Å; R172-E251 PolarHBondContact NH1-OE2 3.41Å; R172-E251 IonicContact NH2-OE2 2.65Å; R172-E251 PolarHBondContact NH2-OE2 3.15Å; V191-E251 WeakPolarHBondContact CG2-O 3.39Å; R247-E251 HydrophobicContact CG-CG 4.28Å; R247-E251 IonicContact CZ-OE1 3.41Å; R247-E251 IonicContact NE-OE1 3Å; R247-E251 PolarHBondContact NE-OE1 2.99Å; R247-E251 IonicContact NH2-OE1 2.9Å; R247-E251 PolarHBondContact NH2-OE1 3.42Å; R247-E251 VanDerWaalsContact O-CB 3.28Å; R247-E251 WeakPolarHBondContact O-CB 3.41Å; R247-E251 VanDerWaalsContact O-CG 3.27Å; R247-E251 WeakPolarHBondContact O-CG 3.36Å; R247-E251 PolarHBondContact O-N 3.44Å; A248-E251 PolarHBondContact O-N 2.95Å; E251-G253 PolarHBondContact O-N 3.46Å
252	A	89.8	Confident	95.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	0.8	173.6	0	0	0	0	0	113.8	R172 V175 H176 W181 A248 C249 M250	R172-A252 HydrophobicContact CB-CB 3.98Å; R172-A252 HydrophobicContact CG-CB 3.93Å; V175-A252 HydrophobicContact CB-CB 4.08Å; V175-A252 HydrophobicContact CG1-CB 4.11Å; V175-A252 WeakPolarHBondContact CG1-O 3.22Å; H176-A252 PolarHBondContact CD2-O 2.99Å; W181-A252 WeakPolarHBondContact CZ3-O 3.25Å; A248-A252 WeakPolarHBondContact O-CB 3.48Å; A248-A252 PolarHBondContact O-N 3.05Å; C249-A252 PolarHBondContact O-N 3.39Å; M250-A252 PolarHBondContact O-N 2.88Å
253	G	88.3	Confident	95.6	Very high	4 Å²	4	10.5 Å²	10.5	4%	0.041	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.1	20.2	169.8	0	0	0	0	0	116.3	M250 E251 V255	M250-G253 PolarHBondContact O-N 2.87Å; E251-G253 PolarHBondContact O-N 3.46Å; G253-V255 PolarHBondContact O-N 2.96Å
254	A	93.5	Very high	95.5	Very high	4 Å²	4	10.5 Å²	10.5	3%	0.033	5%	0.052	C	C	.	.			trans	-54.7	130.5	169.6	0	0	0	0	0	110.3	V175 A208 C210 C249 G256 Y286	V175-A254 HydrophobicContact CG1-CB 4.31Å; V175-A254 HydrophobicContact CG2-CB 4.16Å; A208-A254 HydrophobicContact CB-CB 4.23Å; A208-A254 CarbonylContact O-C 3.58Å; C210-A254 WeakPolarHBondContact SG-CB 3.42Å; C249-A254 WeakPolarHBondContact O-CB 3.11Å; C249-A254 PolarHBondContact O-N 2.98Å; A254-G256 VanDerWaalsContact C-N 3.31Å; A254-G256 PolarHBondContact O-N 3.5Å; A254-Y286 VanDerWaalsContact O-CE2 3.23Å; A254-Y286 WeakPolarHBondContact O-CE2 3.48Å; A254-Y286 PolarHBondContact O-OH 3.46Å
255	V	94.1	Very high	95.5	Very high	8 Å²	8	12.2 Å²	12.2	5%	0.048	6%	0.059	C	C	.	.	S	Bend	trans	-76.1	-23.2	-175.1	-63.9	0	0	0	0	112.5	N139 L204 G207 A208 G253 Y286 G288 F289 A362	N139-V255 WeakPolarHBondContact OD1-CG2 3.35Å; L204-V255 HydrophobicContact CD1-CG1 3.41Å; L204-V255 VanDerWaalsContact CD1-CG1 3.41Å; G207-V255 VanDerWaalsContact CA-CG2 3.49Å; A208-V255 WeakPolarHBondContact O-CG2 3.42Å; A208-V255 PolarHBondContact O-N 3.37Å; G253-V255 PolarHBondContact O-N 2.96Å; V255-Y286 VanDerWaalsContact C-OH 3.26Å; V255-Y286 PolarHBondContact O-OH 3.36Å; V255-G288 CarbonylContact O-C 3.4Å; V255-G288 WeakPolarHBondContact O-CA 3.31Å; V255-F289 HydrophobicContact CB-CE1 4.26Å; V255-F289 HydrophobicContact CG2-CE1 3.94Å; V255-F289 WeakPolarHBondContact O-CD1 3.09Å; V255-F289 WeakPolarHBondContact O-CE1 3.37Å; V255-F289 PolarHBondContact O-N 3.15Å; V255-A362 HydrophobicContact CB-CB 4.18Å
256	G	96.2	Very high	95.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	173.5	172.9	0	0	0	0	0	114.5	A208 N209 C210 A254 Y286 F289	A208-G256 PolarHBondContact O-N 2.02Å; N209-G256 VanDerWaalsContact CA-O 3.27Å; N209-G256 WeakPolarHBondContact CA-O 3.25Å; N209-G256 WeakPolarHBondContact OD1-CA 3.4Å; C210-G256 PolarHBondContact N-O 3.32Å; A254-G256 VanDerWaalsContact C-N 3.31Å; A254-G256 PolarHBondContact O-N 3.5Å; G256-Y286 WeakPolarHBondContact CA-OH 3.42Å; G256-Y286 PolarHBondContact N-OH 2.9Å; G256-Y286 PolarHBondContact O-OH 2.99Å; G256-F289 CarbonylContact C-O 3.55Å; G256-F289 WeakPolarHBondContact CA-O 3.36Å
257	V	98.2	Very high	95.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	135.9	172.2	62.8	0	0	0	0	109.2	C210 Y213 F246 M250 L280 Y286 F289 V290 I291	C210-V257 HydrophobicContact CB-CG2 4.42Å; C210-V257 CarbonylContact O-C 3.57Å; C210-V257 WeakPolarHBondContact O-CA 3.46Å; C210-V257 WeakPolarHBondContact O-CG2 3.46Å; Y213-V257 HydrophobicContact CG-CG2 3.96Å; F246-V257 HydrophobicContact CD1-CG2 4.4Å; M250-V257 HydrophobicContact CE-CB 3.88Å; M250-V257 HydrophobicContact CE-CG1 4.11Å; M250-V257 HydrophobicContact CE-CG2 3.53Å; V257-L280 HydrophobicContact CG1-CD2 4.07Å; V257-Y286 HydrophobicContact CB-CE1 4.41Å; V257-Y286 HydrophobicContact CG1-CE1 3.89Å; V257-F289 PolarHBondContact N-O 2.86Å; V257-V290 HydrophobicContact CG1-CB 4.46Å; V257-V290 HydrophobicContact CG1-CG2 3.8Å; V257-V290 VanDerWaalsContact O-CA 3.3Å; V257-V290 WeakPolarHBondContact O-CA 3.47Å; V257-I291 PolarHBondContact O-N 3Å
258	M	98.5	Very high	95.6	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.02	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	123.9	174.5	-176.7	176.6	-77.3	0	0	110	F141 C210 K211 H212 Y213 I291 D293	F141-M258 HydrophobicContact CB-CE 4.33Å; F141-M258 HydrophobicContact CD1-CE 4.09Å; F141-M258 HydrophobicContact CD2-CE 3.44Å; F141-M258 VanDerWaalsContact CD2-CE 3.44Å; F141-M258 HydrophobicContact CE1-CE 4.24Å; F141-M258 HydrophobicContact CE2-CE 3.58Å; F141-M258 HydrophobicContact CG-CE 3.71Å; F141-M258 HydrophobicContact CZ-CE 4Å; C210-M258 PolarHBondContact O-N 3.48Å; K211-M258 HydrophobicContact CB-CB 3.78Å; K211-M258 HydrophobicContact CB-SD 4.34Å; K211-M258 HydrophobicContact CD-SD 4.32Å; H212-M258 CarbonylContact C-O 3.44Å; H212-M258 WeakPolarHBondContact CA-O 3.32Å; Y213-M258 PolarHBondContact N-O 2.91Å; M258-I291 CarbonylContact C-O 3.56Å; M258-I291 VanDerWaalsContact CA-O 3.27Å; M258-I291 WeakPolarHBondContact CA-O 3.25Å; M258-I291 HydrophobicContact CB-CG2 3.99Å; M258-I291 HydrophobicContact CE-CG2 4.41Å; M258-I291 HydrophobicContact CG-CG2 4.36Å; M258-D293 HydrophobicContact CG-CB 4.11Å; M258-D293 HydrophobicContact SD-CB 4.05Å
259	C	98.6	Very high	95.8	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	142.1	171.7	57.2	0	0	0	0	110.8	Y213 C270 L276 V290 I291 S292 D293	Y213-C259 WeakPolarHBondContact O-CA 3.26Å; C259-C270 HydrophobicContact CB-CB 4.03Å; C259-C270 WeakPolarHBondContact CB-SG 3.12Å; C259-C270 PolarHBondContact O-SG 3.32Å; C259-C270 WeakPolarHBondContact SG-CA 3.31Å; C259-C270 WeakPolarHBondContact SG-CB 3.08Å; C259-C270 CovalentContact SG-SG 2.04Å; C259-C270 PolarHBondContact SG-SG 3.41Å; C259-L276 HydrophobicContact CB-CD2 4.47Å; C259-V290 HydrophobicContact CB-CG1 4.2Å; C259-I291 PolarHBondContact N-O 3.18Å; C259-I291 PolarHBondContact SG-O 2.69Å; C259-S292 VanDerWaalsContact SG-CA 3.56Å; C259-D293 WeakPolarHBondContact O-CB 3.22Å; C259-D293 PolarHBondContact O-N 2.71Å
260	A	97.9	Very high	95.9	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.008	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-73.6	162	-173.2	0	0	0	0	0	114	H212 Y213 H216 A269	H212-A260 HydrophobicContact CB-CB 3.76Å; Y213-A260 PolarHBondContact O-N 3.45Å; H216-A260 HydrophobicContact CB-CB 3.89Å; A260-A269 HydrophobicContact CB-CB 4.09Å
261	Y	97.4	Very high	96.1	Very high	13 Å²	13	14.2 Å²	14.2	5%	0.051	9%	0.092	C	C	.	.	S	Bend	trans	-63.6	-40.5	166	-67.9	-57.4	0	0	0	113.4	R226 L227 D293 E294 A296 F299 H304	R226-Y261 HydrophobicContact CG-CD2 4.43Å; R226-Y261 WeakPolarHBondContact O-CB 3.22Å; L227-Y261 HydrophobicContact CD2-CD1 3.94Å; L227-Y261 HydrophobicContact CD2-CD2 3.94Å; L227-Y261 HydrophobicContact CD2-CE1 4Å; L227-Y261 HydrophobicContact CD2-CE2 4.02Å; L227-Y261 HydrophobicContact CD2-CG 3.91Å; Y261-D293 HydrophobicContact CD1-CB 3.98Å; Y261-D293 HydrophobicContact CD2-CB 4.38Å; Y261-D293 WeakPolarHBondContact CD2-OD2 3.44Å; Y261-D293 HydrophobicContact CE1-CB 3.64Å; Y261-D293 HydrophobicContact CE2-CB 4.06Å; Y261-D293 WeakPolarHBondContact CE2-OD2 3.31Å; Y261-D293 HydrophobicContact CG-CB 4.33Å; Y261-D293 VanDerWaalsContact OH-CG 3.29Å; Y261-D293 PolarHBondContact OH-OD1 3.32Å; Y261-E294 WeakPolarHBondContact CE1-O 3.44Å; Y261-E294 PolarHBondContact OH-N 3.09Å; Y261-E294 PolarHBondContact OH-O 2.94Å; Y261-A296 HydrophobicContact CD1-CB 3.9Å; Y261-A296 HydrophobicContact CE1-CB 4.12Å; Y261-F299 AromaticContact CD1-CD2 3.65Å; Y261-F299 HydrophobicContact CD1-CD2 3.65Å; Y261-F299 AromaticContact CD1-CE2 3.95Å; Y261-F299 HydrophobicContact CD1-CE2 3.95Å; Y261-F299 AromaticContact CE1-CD2 3.66Å; Y261-F299 HydrophobicContact CE1-CD2 3.66Å; Y261-F299 AromaticContact CE1-CE2 3.5Å; Y261-F299 HydrophobicContact CE1-CE2 3.5Å; Y261-H304 PolarHBondContact O-CE1 2.94Å; Y261-H304 VanDerWaalsContact O-CE1 3.27Å; Y261-H304 PolarHBondContact O-NE2 3.23Å
262	S	95.4	Very high	96.5	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.007	8%	0.084	C	C	.	.	S	Bend	trans	-67.5	153.5	-172.9	46.1	0	0	0	0	112.4	F229 A269	F229-S262 CarbonylContact O-C 3.51Å; F229-S262 WeakPolarHBondContact O-CA 3.46Å; F229-S262 WeakPolarHBondContact O-CB 3.38Å; S262-A269 WeakPolarHBondContact O-CB 3.47Å; S262-A269 PolarHBondContact O-N 2.97Å
263	G	97.3	Very high	96.9	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	155.4	161.1	0	0	0	0	0	111.8	F229 E230 A231 T267	F229-G263 PolarHBondContact O-N 2.92Å; E230-G263 WeakPolarHBondContact OE2-CA 3.34Å; A231-G263 WeakPolarHBondContact CB-O 3.01Å; A231-G263 PolarHBondContact N-O 3.38Å; G263-T267 WeakPolarHBondContact CA-O 3.48Å
264	V	97.9	Very high	97.3	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.012	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	117.7	170.8	-178.3	0	0	0	0	108.2	A215 E230 V233 G266 T267 N272 L275	A215-V264 HydrophobicContact CB-CG2 4.28Å; E230-V264 WeakPolarHBondContact OE1-CA 3.39Å; E230-V264 PolarHBondContact OE1-N 3.43Å; E230-V264 VanDerWaalsContact OE1-N 3.12Å; V233-V264 HydrophobicContact CG2-CG1 4.36Å; V264-G266 VanDerWaalsContact C-N 3.31Å; V264-G266 PolarHBondContact O-N 2.93Å; V264-T267 PolarHBondContact N-O 3.3Å; V264-N272 PolarHBondContact O-ND2 3.38Å; V264-L275 HydrophobicContact CB-CD1 3.94Å; V264-L275 HydrophobicContact CG1-CD1 4.29Å; V264-L275 HydrophobicContact CG2-CD1 3.99Å
265	N	97.3	Very high	97.5	Very high	79 Å²	79	20.6 Å²	20.6	42%	0.422	12%	0.116	S	C	.	.	S	Bend	trans	51.8	44.8	179.9	-64.5	-14.3	0	0	0	113.9	E230 A231 V233	E230-N265 PolarHBondContact OE1-N 3.32Å; A231-N265 PolarHBondContact O-N 2.95Å; A231-N265 PolarHBondContact O-OD1 3.47Å; V233-N265 PolarHBondContact N-OD1 3.33Å; V233-N265 PolarHBondContact O-ND2 2.98Å; V233-N265 PolarHBondContact O-OD1 2.92Å; V233-N265 VanDerWaalsContact O-OD1 3.11Å
266	G	96.3	Very high	97.8	Very high	56 Å²	56	20.2 Å²	20.2	58%	0.577	11%	0.114	S	C	*	.	S	Bend	trans	90.8	12.2	171.9	0	0	0	0	0	115.1	E230 V264	E230-G266 PolarHBondContact OE1-N 3.19Å; E230-G266 WeakPolarHBondContact OE2-CA 3.27Å; V264-G266 VanDerWaalsContact C-N 3.31Å; V264-G266 PolarHBondContact O-N 2.93Å
267	T	97.9	Very high	97.8	Very high	54 Å²	54	21.9 Å²	21.9	33%	0.331	12%	0.123	S	C	.	.	S	Bend	trans	-140.5	127.9	177.5	-57	0	0	0	0	110.9	G263 V264 A269 V271 N272	G263-T267 WeakPolarHBondContact CA-O 3.48Å; V264-T267 PolarHBondContact N-O 3.3Å; T267-A269 PolarHBondContact O-N 2.9Å; T267-V271 HydrophobicContact CG2-CG2 4.1Å; T267-N272 HydrophobicContact CG2-CB 3.94Å
268	P	98.4	Very high	97.8	Very high	8 Å²	8	23.7 Å²	23.7	5%	0.052	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-52.8	133.3	176	-23.5	32.3	0	0	0	111.4	C270 V271 N272 L300 H304 V306	P268-C270 VanDerWaalsContact C-N 3.26Å; P268-C270 PolarHBondContact O-N 3.16Å; P268-C270 VanDerWaalsContact O-N 3.14Å; P268-V271 HydrophobicContact CB-CG2 3.93Å; P268-V271 HydrophobicContact CG-CG2 4.16Å; P268-V271 CarbonylContact O-C 3.56Å; P268-V271 WeakPolarHBondContact O-CG2 3.19Å; P268-V271 PolarHBondContact O-N 3.28Å; P268-N272 PolarHBondContact O-N 2.89Å; P268-L300 HydrophobicContact CB-CD2 3.5Å; P268-L300 HydrophobicContact CG-CD2 3.82Å; P268-H304 HydrophobicContact CG-CB 4.26Å; P268-V306 HydrophobicContact CG-CG1 4.19Å; P268-V306 HydrophobicContact CG-CG2 4.02Å
269	A	98.3	Very high	97.8	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.008	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-58.5	-36	-167.7	0	0	0	0	0	113.4	A260 S262 T267 V271 N272	A260-A269 HydrophobicContact CB-CB 4.09Å; S262-A269 WeakPolarHBondContact O-CB 3.47Å; S262-A269 PolarHBondContact O-N 2.97Å; T267-A269 PolarHBondContact O-N 2.9Å; A269-V271 PolarHBondContact O-N 2.92Å; A269-N272 PolarHBondContact O-N 3.43Å
270	C	98.4	Very high	97.7	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.02	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-72.5	-5.9	177	-67.3	0	0	0	0	115.3	C259 P268 L297 V322	C259-C270 HydrophobicContact CB-CB 4.03Å; C259-C270 WeakPolarHBondContact CB-SG 3.12Å; C259-C270 PolarHBondContact O-SG 3.32Å; C259-C270 WeakPolarHBondContact SG-CA 3.31Å; C259-C270 WeakPolarHBondContact SG-CB 3.08Å; C259-C270 CovalentContact SG-SG 2.04Å; C259-C270 PolarHBondContact SG-SG 3.41Å; P268-C270 VanDerWaalsContact C-N 3.26Å; P268-C270 PolarHBondContact O-N 3.16Å; P268-C270 VanDerWaalsContact O-N 3.14Å; C270-L297 HydrophobicContact CB-CD2 3.95Å; C270-V322 HydrophobicContact CB-CG2 4.35Å; C270-V322 WeakPolarHBondContact O-CG2 3.29Å
271	V	98.5	Very high	97.6	Very high	12 Å²	12	26.1 Å²	26.1	7%	0.073	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-125.8	13.3	170.1	-63.2	0	0	0	0	112.3	T267 P268 A269 H273 L300 Y307 A316 A317	T267-V271 HydrophobicContact CG2-CG2 4.1Å; P268-V271 HydrophobicContact CB-CG2 3.93Å; P268-V271 HydrophobicContact CG-CG2 4.16Å; P268-V271 CarbonylContact O-C 3.56Å; P268-V271 WeakPolarHBondContact O-CG2 3.19Å; P268-V271 PolarHBondContact O-N 3.28Å; A269-V271 PolarHBondContact O-N 2.92Å; V271-H273 PolarHBondContact O-N 3.37Å; V271-H273 VanDerWaalsContact O-N 3.12Å; V271-L300 HydrophobicContact CG1-CD1 3.53Å; V271-L300 HydrophobicContact CG1-CD2 4.15Å; V271-L300 HydrophobicContact CG2-CD2 3.89Å; V271-Y307 HydrophobicContact CG1-CE2 4.39Å; V271-Y307 HydrophobicContact CG2-CE2 4.35Å; V271-A316 HydrophobicContact CB-CB 4.3Å; V271-A316 HydrophobicContact CG1-CB 3.86Å; V271-A317 HydrophobicContact CG1-CB 4.28Å
272	N	98.4	Very high	97.6	Very high	11 Å²	11	31.6 Å²	31.6	6%	0.059	17%	0.167	C	C	.	.			trans	-81.6	94.9	-179.4	-170.5	-40.1	0	0	0	110.4	V264 T267 P268 A269 W274 L275 L276	V264-N272 PolarHBondContact O-ND2 3.38Å; T267-N272 HydrophobicContact CG2-CB 3.94Å; P268-N272 PolarHBondContact O-N 2.89Å; A269-N272 PolarHBondContact O-N 3.43Å; N272-W274 PolarHBondContact O-N 2.89Å; N272-W274 PolarHBondContact OD1-N 3.16Å; N272-W274 VanDerWaalsContact OD1-N 3.16Å; N272-L275 HydrophobicContact CB-CB 4.15Å; N272-L275 HydrophobicContact CB-CD1 4.04Å; N272-L275 HydrophobicContact CB-CG 4.31Å; N272-L275 PolarHBondContact O-N 2.87Å; N272-L275 VanDerWaalsContact O-N 3.16Å; N272-L275 PolarHBondContact OD1-N 2.81Å; N272-L276 PolarHBondContact O-N 2.84Å
273	H	97.5	Very high	97.6	Very high	90 Å²	90	36.2 Å²	36.2	42%	0.417	19%	0.188	S	C	.	.	H	α-helix	trans	-60.2	-31.4	-179.7	-176	-74.7	0	0	0	113.1	V271 D277 T278 K319	V271-H273 PolarHBondContact O-N 3.37Å; V271-H273 VanDerWaalsContact O-N 3.12Å; H273-D277 IonicContact CE1-OD2 2.82Å; H273-D277 PolarHBondContact CE1-OD2 3.08Å; H273-D277 IonicContact ND1-OD2 2.73Å; H273-D277 IonicContact NE2-OD2 2.71Å; H273-D277 WeakPolarHBondContact O-CA 3.41Å; H273-D277 WeakPolarHBondContact O-CB 3.49Å; H273-D277 PolarHBondContact O-N 3.23Å; H273-T278 PolarHBondContact O-N 3.03Å; H273-K319 PolarHBondContact CD2-O 3.01Å
274	W	97.5	Very high	97.5	Very high	89 Å²	89	38 Å²	38	34%	0.337	20%	0.195	S	C	.	.	I	π-helix	trans	-66.7	-43.4	176.4	-178.1	93.5	0	0	0	111.1	L238 W239 N272 T278 V279	L238-W274 HydrophobicContact CD2-CH2 3.62Å; L238-W274 HydrophobicContact CD2-CZ3 3.49Å; L238-W274 VanDerWaalsContact CD2-CZ3 3.49Å; W239-W274 AromaticContact CZ2-CH2 3.98Å; W239-W274 HydrophobicContact CZ2-CH2 3.98Å; W239-W274 AromaticContact CZ2-CZ2 3.97Å; W239-W274 HydrophobicContact CZ2-CZ2 3.97Å; N272-W274 PolarHBondContact O-N 2.89Å; N272-W274 PolarHBondContact OD1-N 3.16Å; N272-W274 VanDerWaalsContact OD1-N 3.16Å; W274-T278 VanDerWaalsContact O-CB 3.25Å; W274-T278 WeakPolarHBondContact O-CB 3.15Å; W274-T278 PolarHBondContact O-N 3.13Å; W274-V279 HydrophobicContact CD2-CG2 3.99Å; W274-V279 HydrophobicContact CE3-CG2 3.82Å; W274-V279 HydrophobicContact CH2-CG2 3.54Å; W274-V279 HydrophobicContact CZ2-CG2 3.72Å; W274-V279 HydrophobicContact CZ3-CG2 3.59Å; W274-V279 PolarHBondContact O-N 3.49Å
275	L	98.3	Very high	97.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.228	C	C	.	.	I	π-helix	trans	-67.2	-55.5	175	-74.4	175.2	0	0	0	111.8	Y213 A214 L243 V264 N272 L280	Y213-L275 HydrophobicContact CE1-CB 3.98Å; Y213-L275 HydrophobicContact CE1-CD2 4.48Å; Y213-L275 PolarHBondContact OH-O 2.98Å; A214-L275 HydrophobicContact CB-CD2 4.41Å; L243-L275 HydrophobicContact CD2-CD2 4.42Å; V264-L275 HydrophobicContact CB-CD1 3.94Å; V264-L275 HydrophobicContact CG1-CD1 4.29Å; V264-L275 HydrophobicContact CG2-CD1 3.99Å; N272-L275 HydrophobicContact CB-CB 4.15Å; N272-L275 HydrophobicContact CB-CD1 4.04Å; N272-L275 HydrophobicContact CB-CG 4.31Å; N272-L275 PolarHBondContact O-N 2.87Å; N272-L275 VanDerWaalsContact O-N 3.16Å; N272-L275 PolarHBondContact OD1-N 2.81Å; L275-L280 VanDerWaalsContact O-CB 3.24Å; L275-L280 WeakPolarHBondContact O-CB 3.39Å; L275-L280 PolarHBondContact O-N 2.84Å
276	L	98.6	Very high	97.2	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	21%	0.21	C	C	.	.	I	π-helix	trans	-80.3	-24.9	-167.2	-63.4	-173.9	0	0	0	114.3	Y213 C259 N272 L280 R281 V290 A320 V322	Y213-L276 HydrophobicContact CD1-CD2 3.86Å; Y213-L276 HydrophobicContact CE1-CD2 3.99Å; C259-L276 HydrophobicContact CB-CD2 4.47Å; N272-L276 PolarHBondContact O-N 2.84Å; L276-L280 HydrophobicContact CD2-CD2 4.25Å; L276-L280 WeakPolarHBondContact O-CB 3.29Å; L276-R281 VanDerWaalsContact O-CG 3.25Å; L276-R281 WeakPolarHBondContact O-CG 3.08Å; L276-V290 HydrophobicContact CD1-CG1 4.26Å; L276-V290 HydrophobicContact CD2-CG1 4Å; L276-V290 HydrophobicContact CD2-CG2 4.22Å; L276-A320 WeakPolarHBondContact CB-O 3.26Å; L276-A320 HydrophobicContact CD1-CB 4.12Å; L276-V322 HydrophobicContact CD1-CG2 3.73Å
277	D	98	Very high	97.1	Very high	34 Å²	34	41.7 Å²	41.7	18%	0.182	20%	0.196	C	C	.	.	I	π-helix	trans	-110.3	-58.3	176.5	172.4	69.6	0	0	0	111.8	H273 R281 K282	H273-D277 IonicContact CE1-OD2 2.82Å; H273-D277 PolarHBondContact CE1-OD2 3.08Å; H273-D277 IonicContact ND1-OD2 2.73Å; H273-D277 IonicContact NE2-OD2 2.71Å; H273-D277 WeakPolarHBondContact O-CA 3.41Å; H273-D277 WeakPolarHBondContact O-CB 3.49Å; H273-D277 PolarHBondContact O-N 3.23Å; D277-R281 WeakPolarHBondContact O-CA 3.37Å; D277-R281 WeakPolarHBondContact O-CB 3.14Å; D277-R281 PolarHBondContact O-N 3.1Å; D277-R281 VanDerWaalsContact O-N 3.1Å; D277-K282 PolarHBondContact O-N 3.15Å; D277-K282 IonicContact OD1-NZ 3.48Å; D277-K282 WeakPolarHBondContact OD2-CD 3.35Å; D277-K282 WeakPolarHBondContact OD2-CE 3.42Å; D277-K282 IonicContact OD2-NZ 3.2Å; D277-K282 PolarHBondContact OD2-NZ 2.89Å
278	T	97.7	Very high	96.9	Very high	38 Å²	38	39.4 Å²	39.4	23%	0.233	18%	0.182	C	C	.	.	I	π-helix	trans	-62.3	-52.8	-175	-58.4	0	0	0	0	112.2	H273 W274 K282 Q283	H273-T278 PolarHBondContact O-N 3.03Å; W274-T278 VanDerWaalsContact O-CB 3.25Å; W274-T278 WeakPolarHBondContact O-CB 3.15Å; W274-T278 PolarHBondContact O-N 3.13Å; T278-K282 WeakPolarHBondContact O-CB 3.34Å; T278-Q283 VanDerWaalsContact O-CG 3.3Å; T278-Q283 WeakPolarHBondContact O-CG 3.3Å; T278-Q283 PolarHBondContact O-N 3.4Å
279	V	97.6	Very high	96.9	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.18	C	C	.	.	I	π-helix	trans	-77.2	-60.8	-179.8	177.8	0	0	0	0	110.4	Y213 W239 L243 W274 Q283 W284	Y213-V279 WeakPolarHBondContact OH-CG1 3.49Å; W239-V279 HydrophobicContact CH2-CG1 4.04Å; W239-V279 HydrophobicContact CH2-CG2 4.06Å; W239-V279 HydrophobicContact CZ2-CG2 4.09Å; L243-V279 HydrophobicContact CD1-CG1 4.41Å; W274-V279 HydrophobicContact CD2-CG2 3.99Å; W274-V279 HydrophobicContact CE3-CG2 3.82Å; W274-V279 HydrophobicContact CH2-CG2 3.54Å; W274-V279 HydrophobicContact CZ2-CG2 3.72Å; W274-V279 HydrophobicContact CZ3-CG2 3.59Å; W274-V279 PolarHBondContact O-N 3.49Å; V279-Q283 WeakPolarHBondContact O-CB 3.28Å; V279-Q283 PolarHBondContact O-N 3.02Å; V279-W284 HydrophobicContact CG1-CD2 3.89Å; V279-W284 HydrophobicContact CG1-CE3 4.24Å; V279-W284 HydrophobicContact CG1-CH2 3.97Å; V279-W284 HydrophobicContact CG1-CZ2 3.55Å; V279-W284 HydrophobicContact CG1-CZ3 4.28Å; V279-W284 PolarHBondContact O-N 3.05Å
280	L	97.5	Very high	96.9	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.18	C	C	.	.	I	π-helix	trans	-65.8	-49.4	-170	-175.4	67.4	0	0	0	113.5	Y213 M250 V257 L275 L276 W284 K285 Y286 V290	Y213-L280 HydrophobicContact CE1-CB 4.33Å; Y213-L280 HydrophobicContact CE1-CD2 4.45Å; M250-L280 HydrophobicContact CE-CD1 3.48Å; M250-L280 VanDerWaalsContact CE-CD1 3.48Å; M250-L280 HydrophobicContact SD-CD1 3.2Å; M250-L280 WeakPolarHBondContact SD-CD1 3.48Å; V257-L280 HydrophobicContact CG1-CD2 4.07Å; L275-L280 VanDerWaalsContact O-CB 3.24Å; L275-L280 WeakPolarHBondContact O-CB 3.39Å; L275-L280 PolarHBondContact O-N 2.84Å; L276-L280 HydrophobicContact CD2-CD2 4.25Å; L276-L280 WeakPolarHBondContact O-CB 3.29Å; L280-W284 HydrophobicContact CD1-CE3 4.23Å; L280-K285 PolarHBondContact O-N 3.48Å; L280-Y286 HydrophobicContact CD1-CD1 3.5Å; L280-Y286 VanDerWaalsContact CD1-CD1 3.5Å; L280-Y286 HydrophobicContact CD1-CE1 4.38Å; L280-Y286 HydrophobicContact CD1-CG 3.79Å; L280-Y286 HydrophobicContact CD2-CD1 4.09Å; L280-Y286 HydrophobicContact CG-CD1 3.84Å; L280-Y286 HydrophobicContact CG-CG 4.34Å; L280-Y286 WeakPolarHBondContact O-CB 3.27Å; L280-Y286 PolarHBondContact O-N 2.76Å; L280-V290 HydrophobicContact CD2-CG2 3.47Å; L280-V290 VanDerWaalsContact CD2-CG2 3.47Å
281	R	96	Very high	96.9	Very high	56 Å²	56	38.9 Å²	38.9	21%	0.211	18%	0.179	C	C	.	.	I	π-helix	trans	-88.9	-48.4	-174.7	-60.3	-67.2	-180	-146	2.3	112.6	L276 D277 K285 Y286 G288 N323	L276-R281 VanDerWaalsContact O-CG 3.25Å; L276-R281 WeakPolarHBondContact O-CG 3.08Å; D277-R281 WeakPolarHBondContact O-CA 3.37Å; D277-R281 WeakPolarHBondContact O-CB 3.14Å; D277-R281 PolarHBondContact O-N 3.1Å; D277-R281 VanDerWaalsContact O-N 3.1Å; R281-K285 WeakPolarHBondContact O-CA 3.22Å; R281-K285 PolarHBondContact O-N 2.94Å; R281-Y286 VanDerWaalsContact NH1-CD1 3.31Å; R281-Y286 PolarHBondContact NH1-O 2.75Å; R281-G288 VanDerWaalsContact CZ-O 3.23Å; R281-G288 PolarHBondContact NH1-O 2.95Å; R281-G288 PolarHBondContact NH2-O 3.12Å; R281-N323 PolarHBondContact NH2-OD1 3.41Å
282	K	97.3	Very high	96.9	Very high	128 Å²	128	38.3 Å²	38.3	56%	0.557	18%	0.175	S	C	*	.	I	π-helix	trans	-80.4	-47.7	-173.4	-68.3	171.3	176.8	160.6	0	112.5	D277 T278	D277-K282 PolarHBondContact O-N 3.15Å; D277-K282 IonicContact OD1-NZ 3.48Å; D277-K282 WeakPolarHBondContact OD2-CD 3.35Å; D277-K282 WeakPolarHBondContact OD2-CE 3.42Å; D277-K282 IonicContact OD2-NZ 3.2Å; D277-K282 PolarHBondContact OD2-NZ 2.89Å; T278-K282 WeakPolarHBondContact O-CB 3.34Å
283	Q	95.7	Very high	96.8	Very high	98 Å²	98	38.3 Å²	38.3	46%	0.458	18%	0.175	S	C	.	.	I	π-helix	trans	-82.1	-50.8	-177.7	-67.7	176.4	8.2	0	0	112.4	T278 V279	T278-Q283 VanDerWaalsContact O-CG 3.3Å; T278-Q283 WeakPolarHBondContact O-CG 3.3Å; T278-Q283 PolarHBondContact O-N 3.4Å; V279-Q283 WeakPolarHBondContact O-CB 3.28Å; V279-Q283 PolarHBondContact O-N 3.02Å
284	W	94.1	Very high	96.7	Very high	39 Å²	39	35.9 Å²	35.9	15%	0.148	16%	0.164	C	C	.	.	S	Bend	trans	-87	-13.3	-176.8	-61.2	-7.7	0	0	0	113.8	Y213 W239 L243 F246 R247 M250 V279 L280 Y286	Y213-W284 HydrophobicContact CE2-CH2 4.11Å; Y213-W284 AromaticContact CE2-CZ3 3.8Å; Y213-W284 HydrophobicContact CE2-CZ3 3.8Å; W239-W284 HydrophobicContact CZ3-CZ2 4.31Å; L243-W284 HydrophobicContact CB-CH2 3.89Å; L243-W284 HydrophobicContact CB-CZ2 3.96Å; L243-W284 HydrophobicContact CD1-CZ2 4.25Å; L243-W284 HydrophobicContact CD2-CH2 3.91Å; L243-W284 HydrophobicContact CD2-CZ2 4.46Å; L243-W284 HydrophobicContact CG-CH2 4.31Å; L243-W284 HydrophobicContact CG-CZ2 4.46Å; F246-W284 HydrophobicContact CB-CH2 4.39Å; F246-W284 HydrophobicContact CB-CZ3 4.27Å; R247-W284 HydrophobicContact CB-CD2 4.19Å; R247-W284 HydrophobicContact CB-CE3 4.24Å; R247-W284 HydrophobicContact CB-CH2 3.75Å; R247-W284 HydrophobicContact CB-CZ2 3.72Å; R247-W284 HydrophobicContact CB-CZ3 4.03Å; R247-W284 HydrophobicContact CG-CD2 4.01Å; R247-W284 HydrophobicContact CG-CE3 4.44Å; R247-W284 HydrophobicContact CG-CG 4.36Å; R247-W284 HydrophobicContact CG-CZ2 4.19Å; M250-W284 HydrophobicContact CE-CZ3 4.15Å; M250-W284 HydrophobicContact SD-CE3 3.55Å; M250-W284 VanDerWaalsContact SD-CE3 3.55Å; M250-W284 HydrophobicContact SD-CZ3 3.63Å; V279-W284 HydrophobicContact CG1-CD2 3.89Å; V279-W284 HydrophobicContact CG1-CE3 4.24Å; V279-W284 HydrophobicContact CG1-CH2 3.97Å; V279-W284 HydrophobicContact CG1-CZ2 3.55Å; V279-W284 HydrophobicContact CG1-CZ3 4.28Å; V279-W284 PolarHBondContact O-N 3.05Å; L280-W284 HydrophobicContact CD1-CE3 4.23Å; W284-Y286 PolarHBondContact O-N 3.26Å
285	K	94.7	Very high	96.7	Very high	162 Å²	162	31.6 Å²	31.6	70%	0.704	15%	0.148	S	C	*	.			trans	54.5	35	179.4	-55.9	179.9	-177.3	177.7	0	112.4	L280 R281 P287	L280-K285 PolarHBondContact O-N 3.48Å; R281-K285 WeakPolarHBondContact O-CA 3.22Å; R281-K285 PolarHBondContact O-N 2.94Å; K285-P287 WeakPolarHBondContact O-CD 3.38Å
286	Y	94.9	Very high	96.7	Very high	9 Å²	9	31.9 Å²	31.9	4%	0.035	15%	0.15	C	C	.	.			trans	-65.9	126.5	-178.6	-179.7	-121.8	0	0	0	110.1	M250 A254 V255 G256 V257 L280 R281 W284 G288	M250-Y286 HydrophobicContact CB-CD2 3.62Å; M250-Y286 HydrophobicContact CB-CE2 3.78Å; M250-Y286 HydrophobicContact CB-CG 4.34Å; M250-Y286 HydrophobicContact CG-CD2 3.91Å; M250-Y286 HydrophobicContact CG-CE2 3.84Å; M250-Y286 HydrophobicContact CG-CG 4.3Å; M250-Y286 HydrophobicContact SD-CD2 4.44Å; M250-Y286 HydrophobicContact SD-CG 4.28Å; A254-Y286 VanDerWaalsContact O-CE2 3.23Å; A254-Y286 WeakPolarHBondContact O-CE2 3.48Å; A254-Y286 PolarHBondContact O-OH 3.46Å; V255-Y286 VanDerWaalsContact C-OH 3.26Å; V255-Y286 PolarHBondContact O-OH 3.36Å; G256-Y286 WeakPolarHBondContact CA-OH 3.42Å; G256-Y286 PolarHBondContact N-OH 2.9Å; G256-Y286 PolarHBondContact O-OH 2.99Å; V257-Y286 HydrophobicContact CB-CE1 4.41Å; V257-Y286 HydrophobicContact CG1-CE1 3.89Å; L280-Y286 HydrophobicContact CD1-CD1 3.5Å; L280-Y286 VanDerWaalsContact CD1-CD1 3.5Å; L280-Y286 HydrophobicContact CD1-CE1 4.38Å; L280-Y286 HydrophobicContact CD1-CG 3.79Å; L280-Y286 HydrophobicContact CD2-CD1 4.09Å; L280-Y286 HydrophobicContact CG-CD1 3.84Å; L280-Y286 HydrophobicContact CG-CG 4.34Å; L280-Y286 WeakPolarHBondContact O-CB 3.27Å; L280-Y286 PolarHBondContact O-N 2.76Å; R281-Y286 VanDerWaalsContact NH1-CD1 3.31Å; R281-Y286 PolarHBondContact NH1-O 2.75Å; W284-Y286 PolarHBondContact O-N 3.26Å; Y286-G288 WeakPolarHBondContact CE1-O 3.02Å; Y286-G288 VanDerWaalsContact CZ-CA 3.5Å
287	P	92.8	Very high	96.7	Very high	43 Å²	43	31.8 Å²	31.8	28%	0.279	15%	0.15	S	C	.	.			trans	-95.1	-13.5	-177.6	36	-35.6	0	0	0	113.9	V191 L194 K285 P358 L361	V191-P287 HydrophobicContact CG1-CG 3.7Å; L194-P287 HydrophobicContact CD1-CG 3.84Å; K285-P287 WeakPolarHBondContact O-CD 3.38Å; P287-P358 WeakPolarHBondContact O-CB 2.94Å; P287-L361 HydrophobicContact CB-CD2 4.18Å
288	G	94.8	Very high	96.7	Very high	5 Å²	5	30.9 Å²	30.9	5%	0.052	14%	0.144	C	C	.	.	S	Bend	trans	-73.8	172.4	-176.1	0	0	0	0	0	113.4	V255 R281 Y286	V255-G288 CarbonylContact O-C 3.4Å; V255-G288 WeakPolarHBondContact O-CA 3.31Å; R281-G288 VanDerWaalsContact CZ-O 3.23Å; R281-G288 PolarHBondContact NH1-O 2.95Å; R281-G288 PolarHBondContact NH2-O 3.12Å; Y286-G288 WeakPolarHBondContact CE1-O 3.02Å; Y286-G288 VanDerWaalsContact CZ-CA 3.5Å
289	F	97.6	Very high	96.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	154.9	-176.5	63.7	-89.8	0	0	0	112.4	W81 N209 V255 G256 V257 I291 N323 I324 P358 L359 A362	W81-F289 HydrophobicContact CE3-CE1 4.11Å; W81-F289 HydrophobicContact CE3-CE2 4.06Å; W81-F289 AromaticContact CE3-CZ 3.67Å; W81-F289 HydrophobicContact CE3-CZ 3.67Å; W81-F289 HydrophobicContact CH2-CE1 4.45Å; W81-F289 AromaticContact CZ3-CD1 4Å; W81-F289 HydrophobicContact CZ3-CD1 4Å; W81-F289 AromaticContact CZ3-CE1 3.48Å; W81-F289 HydrophobicContact CZ3-CE1 3.48Å; W81-F289 VanDerWaalsContact CZ3-CE1 3.48Å; W81-F289 HydrophobicContact CZ3-CE2 4.17Å; W81-F289 AromaticContact CZ3-CZ 3.56Å; W81-F289 HydrophobicContact CZ3-CZ 3.56Å; N209-F289 WeakPolarHBondContact OD1-CE2 3.18Å; N209-F289 WeakPolarHBondContact OD1-CZ 3.31Å; V255-F289 HydrophobicContact CB-CE1 4.26Å; V255-F289 HydrophobicContact CG2-CE1 3.94Å; V255-F289 WeakPolarHBondContact O-CD1 3.09Å; V255-F289 WeakPolarHBondContact O-CE1 3.37Å; V255-F289 PolarHBondContact O-N 3.15Å; G256-F289 CarbonylContact C-O 3.55Å; G256-F289 WeakPolarHBondContact CA-O 3.36Å; V257-F289 PolarHBondContact N-O 2.86Å; F289-I291 HydrophobicContact CD2-CB 4.17Å; F289-I291 HydrophobicContact CD2-CG2 4.49Å; F289-I291 HydrophobicContact CE2-CB 4.09Å; F289-I291 HydrophobicContact CE2-CG2 4.12Å; F289-N323 WeakPolarHBondContact CA-OD1 3.44Å; F289-N323 HydrophobicContact CB-CB 3.94Å; F289-I324 HydrophobicContact CD2-CG2 4.1Å; F289-P358 HydrophobicContact CB-CB 3.76Å; F289-L359 HydrophobicContact CB-CD2 3.63Å; F289-L359 HydrophobicContact CD1-CD2 4.32Å; F289-L359 HydrophobicContact CD2-CD2 4.02Å; F289-L359 HydrophobicContact CG-CD2 3.75Å; F289-A362 HydrophobicContact CD1-CB 4.09Å; F289-A362 HydrophobicContact CE1-CB 3.9Å
290	V	98.5	Very high	96.7	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120.3	168.4	176.8	0	0	0	0	107	V257 C259 L276 L280 V322 N323 I324	V257-V290 HydrophobicContact CG1-CB 4.46Å; V257-V290 HydrophobicContact CG1-CG2 3.8Å; V257-V290 VanDerWaalsContact O-CA 3.3Å; V257-V290 WeakPolarHBondContact O-CA 3.47Å; C259-V290 HydrophobicContact CB-CG1 4.2Å; L276-V290 HydrophobicContact CD1-CG1 4.26Å; L276-V290 HydrophobicContact CD2-CG1 4Å; L276-V290 HydrophobicContact CD2-CG2 4.22Å; L280-V290 HydrophobicContact CD2-CG2 3.47Å; L280-V290 VanDerWaalsContact CD2-CG2 3.47Å; V290-V322 HydrophobicContact CG1-CB 4.46Å; V290-V322 HydrophobicContact CG1-CG2 4.05Å; V290-N323 PolarHBondContact N-OD1 3.32Å; V290-N323 WeakPolarHBondContact O-CA 3.32Å; V290-N323 WeakPolarHBondContact O-CB 3.31Å; V290-N323 PolarHBondContact O-N 2.88Å; V290-I324 PolarHBondContact O-N 3.27Å
291	I	98.2	Very high	96.7	Very high	1 Å²	1	32 Å²	32	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	144.2	171.6	-176.8	155.2	0	0	0	109.1	F141 V257 M258 C259 F289 I324 N326	F141-I291 HydrophobicContact CE1-CD1 4.03Å; F141-I291 HydrophobicContact CZ-CD1 3.72Å; V257-I291 PolarHBondContact O-N 3Å; M258-I291 CarbonylContact C-O 3.56Å; M258-I291 VanDerWaalsContact CA-O 3.27Å; M258-I291 WeakPolarHBondContact CA-O 3.25Å; M258-I291 HydrophobicContact CB-CG2 3.99Å; M258-I291 HydrophobicContact CE-CG2 4.41Å; M258-I291 HydrophobicContact CG-CG2 4.36Å; C259-I291 PolarHBondContact N-O 3.18Å; C259-I291 PolarHBondContact SG-O 2.69Å; F289-I291 HydrophobicContact CD2-CB 4.17Å; F289-I291 HydrophobicContact CD2-CG2 4.49Å; F289-I291 HydrophobicContact CE2-CB 4.09Å; F289-I291 HydrophobicContact CE2-CG2 4.12Å; I291-I324 WeakPolarHBondContact CA-O 3.25Å; I291-I324 HydrophobicContact CB-CG2 3.65Å; I291-I324 HydrophobicContact CD1-CG2 3.84Å; I291-I324 HydrophobicContact CG1-CG2 3.74Å; I291-N326 HydrophobicContact CD1-CB 4.17Å; I291-N326 HydrophobicContact CG1-CB 3.96Å
292	S	98.2	Very high	96.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	151	170.5	76.4	0	0	0	0	111.4	C259 I324 N326	C259-S292 VanDerWaalsContact SG-CA 3.56Å; S292-I324 PolarHBondContact N-O 3.39Å; S292-N326 WeakPolarHBondContact O-CB 3.13Å; S292-N326 PolarHBondContact OG-N 2.75Å; S292-N326 PolarHBondContact OG-O 2.99Å
293	D	96.9	Very high	96.8	Very high	11 Å²	11	30.5 Å²	30.5	6%	0.059	15%	0.15	C	C	.	.			trans	-61.6	161.8	157.9	-148.9	-31.1	0	0	0	109.8	H212 M258 C259 Y261 G295 A296	H212-D293 IonicContact CD2-OD2 2.64Å; H212-D293 PolarHBondContact CD2-OD2 3.43Å; H212-D293 IonicContact NE2-OD2 3.37Å; M258-D293 HydrophobicContact CG-CB 4.11Å; M258-D293 HydrophobicContact SD-CB 4.05Å; C259-D293 WeakPolarHBondContact O-CB 3.22Å; C259-D293 PolarHBondContact O-N 2.71Å; Y261-D293 HydrophobicContact CD1-CB 3.98Å; Y261-D293 HydrophobicContact CD2-CB 4.38Å; Y261-D293 WeakPolarHBondContact CD2-OD2 3.44Å; Y261-D293 HydrophobicContact CE1-CB 3.64Å; Y261-D293 HydrophobicContact CE2-CB 4.06Å; Y261-D293 WeakPolarHBondContact CE2-OD2 3.31Å; Y261-D293 HydrophobicContact CG-CB 4.33Å; Y261-D293 VanDerWaalsContact OH-CG 3.29Å; Y261-D293 PolarHBondContact OH-OD1 3.32Å; D293-G295 PolarHBondContact O-N 3.43Å; D293-A296 HydrophobicContact CB-CB 4.03Å; D293-A296 WeakPolarHBondContact O-CB 3.26Å; D293-A296 PolarHBondContact O-N 2.94Å
294	E	95.8	Very high	96.8	Very high	39 Å²	39	27.4 Å²	27.4	18%	0.182	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	109.7	-173.7	-171.4	-178.5	150.4	0	0	111.9	Y65 R82 Y261 A296 F299 N326 L328	Y65-E294 VanDerWaalsContact CE1-CD 3.46Å; Y65-E294 HydrophobicContact CE1-CG 3.94Å; Y65-E294 WeakPolarHBondContact CE1-OE1 3.4Å; Y65-E294 VanDerWaalsContact CZ-OE1 3.24Å; Y65-E294 PolarHBondContact OH-OE1 3.03Å; R82-E294 IonicContact CZ-OE2 3.43Å; R82-E294 IonicContact NE-OE2 3.68Å; R82-E294 IonicContact NH2-OE2 3.44Å; R82-E294 PolarHBondContact NH2-OE2 2.77Å; Y261-E294 WeakPolarHBondContact CE1-O 3.44Å; Y261-E294 PolarHBondContact OH-N 3.09Å; Y261-E294 PolarHBondContact OH-O 2.94Å; E294-A296 VanDerWaalsContact C-N 3.28Å; E294-A296 PolarHBondContact O-N 2.91Å; E294-F299 WeakPolarHBondContact O-CE2 3.31Å; E294-N326 CarbonylContact C-O 3.56Å; E294-N326 WeakPolarHBondContact CA-ND2 3.44Å; E294-N326 WeakPolarHBondContact CA-O 3.36Å; E294-N326 WeakPolarHBondContact CB-ND2 3Å; E294-N326 PolarHBondContact N-ND2 3.05Å; E294-L328 HydrophobicContact CG-CD2 4.38Å
295	G	97.2	Very high	97	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	0.8	-178.1	0	0	0	0	0	114.6	D293 L297 Q298 F299 N326	D293-G295 PolarHBondContact O-N 3.43Å; G295-L297 VanDerWaalsContact C-N 3.25Å; G295-L297 PolarHBondContact O-N 3.43Å; G295-Q298 VanDerWaalsContact C-OE1 3.3Å; G295-Q298 CarbonylContact O-C 3.55Å; G295-Q298 WeakPolarHBondContact O-CA 3.42Å; G295-Q298 WeakPolarHBondContact O-CB 3.22Å; G295-Q298 PolarHBondContact O-N 3.26Å; G295-Q298 PolarHBondContact O-OE1 2.73Å; G295-F299 VanDerWaalsContact O-CD2 3.3Å; G295-F299 WeakPolarHBondContact O-CD2 3.49Å; G295-F299 WeakPolarHBondContact O-CG 3.49Å; G295-F299 PolarHBondContact O-N 2.92Å; G295-N326 PolarHBondContact N-O 3.28Å
296	A	97.9	Very high	97.1	Very high	5 Å²	5	28 Å²	28	4%	0.041	15%	0.147	C	C	.	.	H	α-helix	trans	-59.7	-34.6	-173.1	0	0	0	0	0	112.9	Y261 D293 E294 F299 L300	Y261-A296 HydrophobicContact CD1-CB 3.9Å; Y261-A296 HydrophobicContact CE1-CB 4.12Å; D293-A296 HydrophobicContact CB-CB 4.03Å; D293-A296 WeakPolarHBondContact O-CB 3.26Å; D293-A296 PolarHBondContact O-N 2.94Å; E294-A296 VanDerWaalsContact C-N 3.28Å; E294-A296 PolarHBondContact O-N 2.91Å; A296-F299 PolarHBondContact O-N 2.78Å; A296-L300 PolarHBondContact O-N 3.07Å
297	L	98.4	Very high	97.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-69.3	-37.7	174.5	-59.4	-167.6	0	0	0	112	C270 G295 F299 L300 A317 E325 V334 Y335	C270-L297 HydrophobicContact CB-CD2 3.95Å; G295-L297 VanDerWaalsContact C-N 3.25Å; G295-L297 PolarHBondContact O-N 3.43Å; L297-F299 VanDerWaalsContact C-N 3.31Å; L297-L300 HydrophobicContact CD2-CD1 4.11Å; L297-L300 VanDerWaalsContact O-CB 3.29Å; L297-L300 WeakPolarHBondContact O-CB 3.46Å; L297-L300 WeakPolarHBondContact O-CG 3.45Å; L297-L300 PolarHBondContact O-N 2.86Å; L297-A317 HydrophobicContact CD1-CB 4.03Å; L297-A317 HydrophobicContact CD2-CB 3.78Å; L297-E325 HydrophobicContact CB-CG 4.49Å; L297-E325 HydrophobicContact CD1-CB 3.98Å; L297-E325 HydrophobicContact CD1-CG 3.85Å; L297-E325 HydrophobicContact CG-CG 4.32Å; L297-V334 HydrophobicContact CB-CB 3.93Å; L297-V334 HydrophobicContact CB-CG1 4.23Å; L297-V334 HydrophobicContact CB-CG2 3.72Å; L297-V334 HydrophobicContact CD1-CB 4.37Å; L297-V334 HydrophobicContact CD1-CG1 4.42Å; L297-Y335 HydrophobicContact CD1-CD1 3.91Å; L297-Y335 HydrophobicContact CD1-CE1 3.49Å; L297-Y335 VanDerWaalsContact CD1-CE1 3.49Å
298	Q	97.9	Very high	97.3	Very high	14 Å²	14	33.9 Å²	33.9	7%	0.065	18%	0.179	C	C	.	.	H	α-helix	trans	-67.5	-32.5	172.6	-66.6	84.6	-17.2	0	0	112.1	G295 L300 I301 S302 E325 A327 V334	G295-Q298 VanDerWaalsContact C-OE1 3.3Å; G295-Q298 CarbonylContact O-C 3.55Å; G295-Q298 WeakPolarHBondContact O-CA 3.42Å; G295-Q298 WeakPolarHBondContact O-CB 3.22Å; G295-Q298 PolarHBondContact O-N 3.26Å; G295-Q298 PolarHBondContact O-OE1 2.73Å; Q298-L300 PolarHBondContact O-N 2.56Å; Q298-I301 PolarHBondContact O-N 2.81Å; Q298-S302 PolarHBondContact O-N 3.49Å; Q298-S302 VanDerWaalsContact O-N 3.08Å; Q298-S302 PolarHBondContact O-OG 3.42Å; Q298-E325 VanDerWaalsContact CD-OE1 3.24Å; Q298-E325 PolarHBondContact NE2-OE1 3.12Å; Q298-E325 PolarHBondContact OE1-OE1 2.9Å; Q298-A327 VanDerWaalsContact NE2-CB 3.29Å; Q298-V334 HydrophobicContact CG-CG2 4.12Å
299	F	97.9	Very high	97.5	Very high	18 Å²	18	35.6 Å²	35.6	8%	0.079	19%	0.19	C	C	.	.	H	α-helix	trans	-70.3	-19.2	177.9	-63	-28.6	0	0	0	112.8	L227 Y261 E294 G295 A296 L297 I301 K303 H304 L328	L227-F299 HydrophobicContact CB-CD2 4.4Å; L227-F299 HydrophobicContact CD1-CE2 4.24Å; L227-F299 HydrophobicContact CD1-CZ 4.16Å; L227-F299 HydrophobicContact CD2-CD2 4.13Å; L227-F299 HydrophobicContact CD2-CE2 3.7Å; L227-F299 HydrophobicContact CD2-CZ 4.36Å; L227-F299 HydrophobicContact CG-CE2 4.41Å; Y261-F299 AromaticContact CD1-CD2 3.65Å; Y261-F299 HydrophobicContact CD1-CD2 3.65Å; Y261-F299 AromaticContact CD1-CE2 3.95Å; Y261-F299 HydrophobicContact CD1-CE2 3.95Å; Y261-F299 AromaticContact CE1-CD2 3.66Å; Y261-F299 HydrophobicContact CE1-CD2 3.66Å; Y261-F299 AromaticContact CE1-CE2 3.5Å; Y261-F299 HydrophobicContact CE1-CE2 3.5Å; E294-F299 WeakPolarHBondContact O-CE2 3.31Å; G295-F299 VanDerWaalsContact O-CD2 3.3Å; G295-F299 WeakPolarHBondContact O-CD2 3.49Å; G295-F299 WeakPolarHBondContact O-CG 3.49Å; G295-F299 PolarHBondContact O-N 2.92Å; A296-F299 PolarHBondContact O-N 2.78Å; L297-F299 VanDerWaalsContact C-N 3.31Å; F299-I301 PolarHBondContact O-N 3.29Å; F299-K303 HydrophobicContact CB-CB 4.01Å; F299-K303 HydrophobicContact CB-CG 3.9Å; F299-K303 HydrophobicContact CD1-CG 3.5Å; F299-K303 HydrophobicContact CE1-CG 4.25Å; F299-K303 HydrophobicContact CG-CB 4.45Å; F299-K303 HydrophobicContact CG-CG 3.81Å; F299-K303 PolarHBondContact O-N 2.84Å; F299-H304 PolarHBondContact O-N 2.94Å; F299-L328 HydrophobicContact CE1-CD1 3.91Å; F299-L328 HydrophobicContact CZ-CD1 4.16Å; F299-L328 HydrophobicContact CZ-CD2 4.21Å
300	L	98.3	Very high	97.5	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-54.9	-33	168.2	-60.3	173.3	0	0	0	112.4	P268 V271 A296 L297 Q298 H305 V306 Y307 A313	P268-L300 HydrophobicContact CB-CD2 3.5Å; P268-L300 HydrophobicContact CG-CD2 3.82Å; V271-L300 HydrophobicContact CG1-CD1 3.53Å; V271-L300 HydrophobicContact CG1-CD2 4.15Å; V271-L300 HydrophobicContact CG2-CD2 3.89Å; A296-L300 PolarHBondContact O-N 3.07Å; L297-L300 HydrophobicContact CD2-CD1 4.11Å; L297-L300 VanDerWaalsContact O-CB 3.29Å; L297-L300 WeakPolarHBondContact O-CB 3.46Å; L297-L300 WeakPolarHBondContact O-CG 3.45Å; L297-L300 PolarHBondContact O-N 2.86Å; Q298-L300 PolarHBondContact O-N 2.56Å; L300-H305 PolarHBondContact O-N 3.31Å; L300-V306 HydrophobicContact CB-CG2 4.04Å; L300-V306 HydrophobicContact CD2-CG2 4.11Å; L300-V306 VanDerWaalsContact O-CG2 3.3Å; L300-V306 WeakPolarHBondContact O-CG2 3.43Å; L300-V306 PolarHBondContact O-N 2.93Å; L300-Y307 HydrophobicContact CB-CD2 4.04Å; L300-Y307 HydrophobicContact CD1-CD2 4.24Å; L300-Y307 HydrophobicContact CD1-CE2 4.4Å; L300-Y307 PolarHBondContact O-N 2.82Å; L300-A313 HydrophobicContact CB-CB 4.49Å; L300-A313 HydrophobicContact CD1-CB 4.07Å
301	I	98	Very high	97.5	Very high	42 Å²	42	42.4 Å²	42.4	22%	0.215	22%	0.223	C	C	.	.	H	α-helix	trans	-94.1	-51.1	-179.9	-56.7	166	0	0	0	110.4	Q298 F299 H305 Y307 S309 L310 A313	Q298-I301 PolarHBondContact O-N 2.81Å; F299-I301 PolarHBondContact O-N 3.29Å; I301-H305 PolarHBondContact O-ND1 2.95Å; I301-Y307 WeakPolarHBondContact CA-O 3.32Å; I301-S309 WeakPolarHBondContact CD1-O 3.12Å; I301-L310 HydrophobicContact CD1-CD2 3.77Å; I301-L310 HydrophobicContact CD1-CG 4.44Å; I301-A313 HydrophobicContact CD1-CB 4.17Å; I301-A313 HydrophobicContact CG1-CB 4.29Å
302	S	97	Very high	97.5	Very high	60 Å²	60	46.2 Å²	46.2	42%	0.42	24%	0.241	S	C	.	.	H	α-helix	trans	-87.9	-15.9	-166.2	57.9	0	0	0	0	115.3	Q298 H305	Q298-S302 PolarHBondContact O-N 3.49Å; Q298-S302 VanDerWaalsContact O-N 3.08Å; Q298-S302 PolarHBondContact O-OG 3.42Å; S302-H305 PolarHBondContact O-CE1 2.78Å; S302-H305 VanDerWaalsContact O-CE1 3.29Å
303	K	96.9	Very high	97.5	Very high	93 Å²	93	46.2 Å²	46.2	40%	0.404	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.8	-51.7	-177.4	-57.2	-67.1	-176.9	179.1	0	112.6	L227 F299 H305	L227-K303 HydrophobicContact CB-CG 4.26Å; F299-K303 HydrophobicContact CB-CB 4.01Å; F299-K303 HydrophobicContact CB-CG 3.9Å; F299-K303 HydrophobicContact CD1-CG 3.5Å; F299-K303 HydrophobicContact CE1-CG 4.25Å; F299-K303 HydrophobicContact CG-CB 4.45Å; F299-K303 HydrophobicContact CG-CG 3.81Å; F299-K303 PolarHBondContact O-N 2.84Å; K303-H305 PolarHBondContact O-CD2 3.25Å
304	H	97.5	Very high	97.5	Very high	33 Å²	33	45.7 Å²	45.7	15%	0.153	24%	0.238	C	C	.	.	S	Bend	trans	-74.7	-28	177	-74.2	-84	0	0	0	112.7	L227 S228 Y261 P268 F299 V306	L227-H304 PolarHBondContact O-NE2 3.48Å; S228-H304 VanDerWaalsContact CA-CE1 3.48Å; S228-H304 WeakPolarHBondContact CA-CE1 3.09Å; Y261-H304 PolarHBondContact O-CE1 2.94Å; Y261-H304 VanDerWaalsContact O-CE1 3.27Å; Y261-H304 PolarHBondContact O-NE2 3.23Å; P268-H304 HydrophobicContact CG-CB 4.26Å; F299-H304 PolarHBondContact O-N 2.94Å; H304-V306 HydrophobicContact CB-CG1 4.16Å; H304-V306 HydrophobicContact CB-CG2 4.07Å; H304-V306 PolarHBondContact O-N 3.4Å
305	H	96.6	Very high	97.7	Very high	144 Å²	144	46 Å²	46	67%	0.667	24%	0.241	S	C	*	.			trans	55.3	31.1	-177.5	-53.5	-56.1	0	0	0	114.1	L300 I301 S302 K303	L300-H305 PolarHBondContact O-N 3.31Å; I301-H305 PolarHBondContact O-ND1 2.95Å; S302-H305 PolarHBondContact O-CE1 2.78Å; S302-H305 VanDerWaalsContact O-CE1 3.29Å; K303-H305 PolarHBondContact O-CD2 3.25Å
306	V	96.9	Very high	97.7	Very high	71 Å²	71	46.7 Å²	46.7	43%	0.43	25%	0.246	S	C	.	.			trans	-87.1	-22	179.7	-68.2	0	0	0	0	113.1	P268 L300 H304	P268-V306 HydrophobicContact CG-CG1 4.19Å; P268-V306 HydrophobicContact CG-CG2 4.02Å; L300-V306 HydrophobicContact CB-CG2 4.04Å; L300-V306 HydrophobicContact CD2-CG2 4.11Å; L300-V306 VanDerWaalsContact O-CG2 3.3Å; L300-V306 WeakPolarHBondContact O-CG2 3.43Å; L300-V306 PolarHBondContact O-N 2.93Å; H304-V306 HydrophobicContact CB-CG1 4.16Å; H304-V306 HydrophobicContact CB-CG2 4.07Å; H304-V306 PolarHBondContact O-N 3.4Å
307	Y	97.4	Very high	97.8	Very high	79 Å²	79	46.4 Å²	46.4	31%	0.31	25%	0.245	S	C	.	.			trans	-130.6	153.3	175.7	-63	-60.5	0	0	0	110.8	V271 L300 I301 E312 A313 A316	V271-Y307 HydrophobicContact CG1-CE2 4.39Å; V271-Y307 HydrophobicContact CG2-CE2 4.35Å; L300-Y307 HydrophobicContact CB-CD2 4.04Å; L300-Y307 HydrophobicContact CD1-CD2 4.24Å; L300-Y307 HydrophobicContact CD1-CE2 4.4Å; L300-Y307 PolarHBondContact O-N 2.82Å; I301-Y307 WeakPolarHBondContact CA-O 3.32Å; Y307-E312 HydrophobicContact CD1-CB 3.77Å; Y307-E312 HydrophobicContact CG-CB 4.04Å; Y307-A313 HydrophobicContact CD2-CB 4.31Å; Y307-A316 HydrophobicContact CD2-CB 4.38Å; Y307-A316 HydrophobicContact CE1-CB 4.19Å; Y307-A316 HydrophobicContact CE2-CB 3.46Å; Y307-A316 VanDerWaalsContact CE2-CB 3.46Å; Y307-A316 WeakPolarHBondContact OH-CB 3.49Å
308	S	95.8	Very high	97.7	Very high	96 Å²	96	47 Å²	47	67%	0.671	25%	0.248	S	C	*	.	S	Bend	trans	-102.8	-15.6	-174.8	68.1	0	0	0	0	113.7	E312	S308-E312 PolarHBondContact N-OE2 2.88Å; S308-E312 PolarHBondContact OG-OE1 3.34Å; S308-E312 PolarHBondContact OG-OE2 2.8Å
309	S	97.6	Very high	97.7	Very high	41 Å²	41	50.6 Å²	50.6	29%	0.287	26%	0.263	S	S	.	.	S	Bend	trans	-141	158.7	-176	70.4	0	0	0	0	112.8	I301 Q311 E312 A313	I301-S309 WeakPolarHBondContact CD1-O 3.12Å; S309-Q311 PolarHBondContact O-N 3.37Å; S309-E312 PolarHBondContact O-N 2.98Å; S309-E312 WeakPolarHBondContact OG-CG 3.38Å; S309-E312 PolarHBondContact OG-N 3.06Å; S309-A313 PolarHBondContact O-N 3.2Å; S309-A313 VanDerWaalsContact O-N 3.17Å
310	L	97.9	Very high	97.8	Very high	48 Å²	48	49.9 Å²	49.9	25%	0.251	26%	0.261	S	S	.	.	H	α-helix	trans	-60.3	-35.2	173.3	-61.1	176.3	0	0	0	111.6	I301 A313 A314 V332 V334 E337	I301-L310 HydrophobicContact CD1-CD2 3.77Å; I301-L310 HydrophobicContact CD1-CG 4.44Å; L310-A313 PolarHBondContact O-N 3.36Å; L310-A314 VanDerWaalsContact O-CB 3.24Å; L310-A314 WeakPolarHBondContact O-CB 3.22Å; L310-A314 PolarHBondContact O-N 3.17Å; L310-V332 HydrophobicContact CD1-CB 4.15Å; L310-V332 HydrophobicContact CD1-CG1 3.69Å; L310-V334 HydrophobicContact CD2-CG2 3.9Å; L310-E337 HydrophobicContact CB-CG 3.76Å
311	Q	98.1	Very high	97.7	Very high	94 Å²	94	50.5 Å²	50.5	44%	0.439	27%	0.267	S	S	.	.	H	α-helix	trans	-65.4	-43.8	179.1	-72	-178.9	15.3	0	0	112.3	S309 A314 L315 E337 L341	S309-Q311 PolarHBondContact O-N 3.37Å; Q311-A314 PolarHBondContact O-N 3.37Å; Q311-L315 VanDerWaalsContact O-CB 3.31Å; Q311-L315 WeakPolarHBondContact O-CB 2.86Å; Q311-L315 PolarHBondContact O-N 2.92Å; Q311-E337 HydrophobicContact CG-CB 3.95Å; Q311-E337 HydrophobicContact CG-CG 3.71Å; Q311-E337 WeakPolarHBondContact CG-OE2 3.41Å; Q311-E337 PolarHBondContact NE2-OE2 2.95Å; Q311-L341 HydrophobicContact CB-CD2 4.43Å
312	E	98.2	Very high	97.8	Very high	82 Å²	82	48.5 Å²	48.5	38%	0.383	26%	0.257	S	S	.	.	H	α-helix	trans	-63.4	-45.7	176.2	-73.6	173.1	171.8	0	0	111.4	Y307 S308 S309 L315 A316	Y307-E312 HydrophobicContact CD1-CB 3.77Å; Y307-E312 HydrophobicContact CG-CB 4.04Å; S308-E312 PolarHBondContact N-OE2 2.88Å; S308-E312 PolarHBondContact OG-OE1 3.34Å; S308-E312 PolarHBondContact OG-OE2 2.8Å; S309-E312 PolarHBondContact O-N 2.98Å; S309-E312 WeakPolarHBondContact OG-CG 3.38Å; S309-E312 PolarHBondContact OG-N 3.06Å; E312-L315 PolarHBondContact O-N 3.38Å; E312-A316 WeakPolarHBondContact O-CB 3.43Å; E312-A316 PolarHBondContact O-N 2.98Å
313	A	98.4	Very high	97.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.5	-43.5	177.7	0	0	0	0	0	112.1	L300 I301 Y307 S309 L310 A316 A317 V334	L300-A313 HydrophobicContact CB-CB 4.49Å; L300-A313 HydrophobicContact CD1-CB 4.07Å; I301-A313 HydrophobicContact CD1-CB 4.17Å; I301-A313 HydrophobicContact CG1-CB 4.29Å; Y307-A313 HydrophobicContact CD2-CB 4.31Å; S309-A313 PolarHBondContact O-N 3.2Å; S309-A313 VanDerWaalsContact O-N 3.17Å; L310-A313 PolarHBondContact O-N 3.36Å; A313-A316 PolarHBondContact O-N 3.44Å; A313-A317 WeakPolarHBondContact O-CB 3.15Å; A313-A317 PolarHBondContact O-N 2.93Å; A313-V334 HydrophobicContact CB-CG1 3.76Å
314	A	98.6	Very high	97.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.9	-46.2	177.7	0	0	0	0	0	111.5	L310 Q311 A316 A317 V318 V334 Y335 E337 L338 L341	L310-A314 VanDerWaalsContact O-CB 3.24Å; L310-A314 WeakPolarHBondContact O-CB 3.22Å; L310-A314 PolarHBondContact O-N 3.17Å; Q311-A314 PolarHBondContact O-N 3.37Å; A314-A316 PolarHBondContact O-N 3.21Å; A314-A317 PolarHBondContact O-N 3.1Å; A314-V318 WeakPolarHBondContact O-CG2 3.42Å; A314-V318 PolarHBondContact O-N 2.92Å; A314-V334 HydrophobicContact CB-CG1 3.68Å; A314-V334 WeakPolarHBondContact CB-O 3.3Å; A314-V334 VanDerWaalsContact N-CG1 3.29Å; A314-Y335 HydrophobicContact CB-CD1 4.39Å; A314-E337 HydrophobicContact CB-CB 4.25Å; A314-L338 HydrophobicContact CB-CD2 4.37Å; A314-L341 HydrophobicContact CB-CD1 3.74Å
315	L	98.5	Very high	97.9	Very high	44 Å²	44	39.8 Å²	39.8	23%	0.23	21%	0.211	C	C	.	.	H	α-helix	trans	-59.5	-48	176.9	-179.5	60.6	0	0	0	110.8	Q311 E312 A317 V318 K319 L341 N346 V347	Q311-L315 VanDerWaalsContact O-CB 3.31Å; Q311-L315 WeakPolarHBondContact O-CB 2.86Å; Q311-L315 PolarHBondContact O-N 2.92Å; E312-L315 PolarHBondContact O-N 3.38Å; L315-A317 PolarHBondContact O-N 2.91Å; L315-V318 PolarHBondContact O-N 2.04Å; L315-K319 HydrophobicContact CD1-CG 4.14Å; L315-K319 HydrophobicContact CG-CG 4.5Å; L315-K319 VanDerWaalsContact O-CG 3.23Å; L315-K319 WeakPolarHBondContact O-CG 3.31Å; L315-K319 PolarHBondContact O-N 3.26Å; L315-L341 HydrophobicContact CB-CD1 4.15Å; L315-L341 HydrophobicContact CB-CD2 4.36Å; L315-N346 HydrophobicContact CD1-CB 4.26Å; L315-V347 HydrophobicContact CD1-CG2 3.77Å
316	A	98.4	Very high	97.9	Very high	15 Å²	15	33 Å²	33	12%	0.124	18%	0.18	C	C	.	.	H	α-helix	trans	-60.7	-45.3	179.2	0	0	0	0	0	112.6	V271 Y307 E312 A313 A314 K319 A320	V271-A316 HydrophobicContact CB-CB 4.3Å; V271-A316 HydrophobicContact CG1-CB 3.86Å; Y307-A316 HydrophobicContact CD2-CB 4.38Å; Y307-A316 HydrophobicContact CE1-CB 4.19Å; Y307-A316 HydrophobicContact CE2-CB 3.46Å; Y307-A316 VanDerWaalsContact CE2-CB 3.46Å; Y307-A316 WeakPolarHBondContact OH-CB 3.49Å; E312-A316 WeakPolarHBondContact O-CB 3.43Å; E312-A316 PolarHBondContact O-N 2.98Å; A313-A316 PolarHBondContact O-N 3.44Å; A314-A316 PolarHBondContact O-N 3.21Å; A316-K319 PolarHBondContact O-N 3.34Å; A316-A320 WeakPolarHBondContact O-CB 3.29Å; A316-A320 PolarHBondContact O-N 2.88Å
317	A	98.5	Very high	97.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.8	-40.5	179.3	0	0	0	0	0	112.5	V271 L297 A313 A314 L315 A320 G321 V322 Y335	V271-A317 HydrophobicContact CG1-CB 4.28Å; L297-A317 HydrophobicContact CD1-CB 4.03Å; L297-A317 HydrophobicContact CD2-CB 3.78Å; A313-A317 WeakPolarHBondContact O-CB 3.15Å; A313-A317 PolarHBondContact O-N 2.93Å; A314-A317 PolarHBondContact O-N 3.1Å; L315-A317 PolarHBondContact O-N 2.91Å; A317-A320 PolarHBondContact O-N 3.19Å; A317-G321 PolarHBondContact O-N 3.43Å; A317-V322 HydrophobicContact CB-CB 4.33Å; A317-V322 HydrophobicContact CB-CG2 4.49Å; A317-V322 PolarHBondContact O-N 3.19Å; A317-Y335 HydrophobicContact CB-CE1 3.83Å
318	V	98.3	Very high	97.8	Very high	11 Å²	11	28.3 Å²	28.3	7%	0.067	16%	0.158	C	C	.	.	H	α-helix	trans	-62.4	-46.9	173.6	167.5	0	0	0	0	111.1	A314 L315 A320 G321 L338 V347 L355	A314-V318 WeakPolarHBondContact O-CG2 3.42Å; A314-V318 PolarHBondContact O-N 2.92Å; L315-V318 PolarHBondContact O-N 2.04Å; V318-A320 VanDerWaalsContact C-N 3.29Å; V318-A320 PolarHBondContact O-N 3.44Å; V318-G321 PolarHBondContact O-N 2.88Å; V318-G321 VanDerWaalsContact O-N 3.15Å; V318-L338 HydrophobicContact CG2-CD2 3.41Å; V318-L338 VanDerWaalsContact CG2-CD2 3.41Å; V318-V347 HydrophobicContact CG1-CG1 4.02Å; V318-V347 HydrophobicContact CG1-CG2 4.12Å; V318-L355 HydrophobicContact CB-CD2 4.17Å; V318-L355 HydrophobicContact CG1-CD2 3.99Å; V318-L355 HydrophobicContact CG2-CD2 3.88Å
319	K	97.8	Very high	97.5	Very high	90 Å²	90	25.1 Å²	25.1	39%	0.391	14%	0.135	S	C	.	.	H	α-helix	trans	-67.3	-30.4	-179.3	-63.6	-63.9	176.3	-174.9	0	112.4	H273 L315 A316 N346 E351	H273-K319 PolarHBondContact CD2-O 3.01Å; L315-K319 HydrophobicContact CD1-CG 4.14Å; L315-K319 HydrophobicContact CG-CG 4.5Å; L315-K319 VanDerWaalsContact O-CG 3.23Å; L315-K319 WeakPolarHBondContact O-CG 3.31Å; L315-K319 PolarHBondContact O-N 3.26Å; A316-K319 PolarHBondContact O-N 3.34Å; K319-N346 PolarHBondContact NZ-O 3.48Å; K319-E351 IonicContact NZ-OE1 2.71Å; K319-E351 PolarHBondContact NZ-OE1 2.84Å; K319-E351 IonicContact NZ-OE2 3.14Å; K319-E351 PolarHBondContact NZ-OE2 3.03Å
320	A	98.2	Very high	97.1	Very high	3 Å²	3	30.3 Å²	30.3	3%	0.025	16%	0.159	C	C	.	.	H	α-helix	trans	-75.3	-26.2	173.8	0	0	0	0	0	112.9	L276 A316 A317 V318	L276-A320 WeakPolarHBondContact CB-O 3.26Å; L276-A320 HydrophobicContact CD1-CB 4.12Å; A316-A320 WeakPolarHBondContact O-CB 3.29Å; A316-A320 PolarHBondContact O-N 2.88Å; A317-A320 PolarHBondContact O-N 3.19Å; V318-A320 VanDerWaalsContact C-N 3.29Å; V318-A320 PolarHBondContact O-N 3.44Å
321	G	98	Very high	96.8	Very high	14 Å²	14	30 Å²	30	14%	0.144	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	104.3	24.3	176	0	0	0	0	0	115.2	A317 V318 N323	A317-G321 PolarHBondContact O-N 3.43Å; V318-G321 PolarHBondContact O-N 2.88Å; V318-G321 VanDerWaalsContact O-N 3.15Å; G321-N323 PolarHBondContact O-OD1 3.07Å
322	V	98.6	Very high	96.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.169	C	C	.	.			trans	-70	127.4	169.4	176.4	0	0	0	0	109.3	C270 L276 V290 A317 Y335 L355	C270-V322 HydrophobicContact CB-CG2 4.35Å; C270-V322 WeakPolarHBondContact O-CG2 3.29Å; L276-V322 HydrophobicContact CD1-CG2 3.73Å; V290-V322 HydrophobicContact CG1-CB 4.46Å; V290-V322 HydrophobicContact CG1-CG2 4.05Å; A317-V322 HydrophobicContact CB-CB 4.33Å; A317-V322 HydrophobicContact CB-CG2 4.49Å; A317-V322 PolarHBondContact O-N 3.19Å; V322-Y335 VanDerWaalsContact CB-OH 3.25Å; V322-Y335 WeakPolarHBondContact CB-OH 2.66Å; V322-Y335 WeakPolarHBondContact CG1-OH 3.42Å; V322-Y335 PolarHBondContact O-OH 3.21Å; V322-L355 WeakPolarHBondContact O-CD1 3.47Å; V322-L355 VanDerWaalsContact O-CD2 3.24Å; V322-L355 WeakPolarHBondContact O-CD2 3.16Å; V322-L355 WeakPolarHBondContact O-CG 3.45Å
323	N	98.6	Very high	96.5	Very high	4 Å²	4	27 Å²	27	2%	0.021	16%	0.156	C	C	.	.			trans	-89.9	-34.5	-171.9	-60.7	102.8	0	0	0	113	M56 R281 F289 V290 G321 L355 L359	M56-N323 WeakPolarHBondContact CG-O 3.43Å; R281-N323 PolarHBondContact NH2-OD1 3.41Å; F289-N323 WeakPolarHBondContact CA-OD1 3.44Å; F289-N323 HydrophobicContact CB-CB 3.94Å; V290-N323 PolarHBondContact N-OD1 3.32Å; V290-N323 WeakPolarHBondContact O-CA 3.32Å; V290-N323 WeakPolarHBondContact O-CB 3.31Å; V290-N323 PolarHBondContact O-N 2.88Å; G321-N323 PolarHBondContact O-OD1 3.07Å; N323-L355 WeakPolarHBondContact ND2-CD1 3.26Å; N323-L355 PolarHBondContact ND2-O 2.76Å; N323-L359 HydrophobicContact CB-CD2 4.21Å; N323-L359 HydrophobicContact CB-CG 4.39Å
324	I	97.9	Very high	96.5	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-147.1	139.7	-175	-179.9	167.8	0	0	0	110.3	M56 W81 F289 V290 I291 S292 L359	M56-I324 WeakPolarHBondContact O-CG1 3.35Å; W81-I324 HydrophobicContact CB-CD1 4.38Å; W81-I324 HydrophobicContact CD2-CD1 3.9Å; W81-I324 HydrophobicContact CG-CD1 3.62Å; F289-I324 HydrophobicContact CD2-CG2 4.1Å; V290-I324 PolarHBondContact O-N 3.27Å; I291-I324 WeakPolarHBondContact CA-O 3.25Å; I291-I324 HydrophobicContact CB-CG2 3.65Å; I291-I324 HydrophobicContact CD1-CG2 3.84Å; I291-I324 HydrophobicContact CG1-CG2 3.74Å; S292-I324 PolarHBondContact N-O 3.39Å; I324-L359 HydrophobicContact CB-CD1 4.1Å; I324-L359 HydrophobicContact CB-CD2 3.95Å; I324-L359 HydrophobicContact CG2-CD2 3.74Å
325	E	97.6	Very high	96.5	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.156	C	C	.	.			trans	-88.4	128.2	174.3	-177.1	-177.2	178.3	0	0	110.8	M56 L297 Q298 A327 N333 V334 Y335	M56-E325 PolarHBondContact O-N 2.68Å; L297-E325 HydrophobicContact CB-CG 4.49Å; L297-E325 HydrophobicContact CD1-CB 3.98Å; L297-E325 HydrophobicContact CD1-CG 3.85Å; L297-E325 HydrophobicContact CG-CG 4.32Å; Q298-E325 VanDerWaalsContact CD-OE1 3.24Å; Q298-E325 PolarHBondContact NE2-OE1 3.12Å; Q298-E325 PolarHBondContact OE1-OE1 2.9Å; E325-A327 HydrophobicContact CG-CB 4.03Å; E325-N333 WeakPolarHBondContact OE1-CA 3.39Å; E325-N333 WeakPolarHBondContact OE2-CB 3.31Å; E325-V334 PolarHBondContact OE1-N 3.37Å; E325-V334 PolarHBondContact OE2-N 3.12Å; E325-Y335 HydrophobicContact CB-CD2 3.85Å; E325-Y335 HydrophobicContact CB-CE2 4.3Å; E325-Y335 HydrophobicContact CB-CG 4.02Å; E325-Y335 WeakPolarHBondContact OE2-CB 3.44Å; E325-Y335 PolarHBondContact OE2-N 3.33Å
326	N	96.8	Very high	96.4	Very high	2 Å²	2	27 Å²	27	1%	0.011	16%	0.16	C	C	.	.			trans	-96.5	96.6	161.3	-172.9	26.1	0	0	0	107.5	I291 S292 E294 G295	I291-N326 HydrophobicContact CD1-CB 4.17Å; I291-N326 HydrophobicContact CG1-CB 3.96Å; S292-N326 WeakPolarHBondContact O-CB 3.13Å; S292-N326 PolarHBondContact OG-N 2.75Å; S292-N326 PolarHBondContact OG-O 2.99Å; E294-N326 CarbonylContact C-O 3.56Å; E294-N326 WeakPolarHBondContact CA-ND2 3.44Å; E294-N326 WeakPolarHBondContact CA-O 3.36Å; E294-N326 WeakPolarHBondContact CB-ND2 3Å; E294-N326 PolarHBondContact N-ND2 3.05Å; G295-N326 PolarHBondContact N-O 3.28Å
327	A	96.9	Very high	96.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.162	C	C	.	.			trans	-89.4	161.2	-170.3	0	0	0	0	0	112.3	G60 A61 Y65 Q298 E325 N333	G60-A327 PolarHBondContact O-N 3.28Å; A61-A327 HydrophobicContact CB-CB 3.79Å; Y65-A327 WeakPolarHBondContact CD1-O 3.33Å; Y65-A327 WeakPolarHBondContact CE1-O 3.46Å; Q298-A327 VanDerWaalsContact NE2-CB 3.29Å; E325-A327 HydrophobicContact CG-CB 4.03Å; A327-N333 HydrophobicContact CB-CB 3.78Å
328	L	95.2	Very high	96.4	Very high	51 Å²	51	27.9 Å²	27.9	27%	0.267	16%	0.162	S	C	.	.			trans	-67	141.4	166.5	-67.4	170.8	0	0	0	110.1	E294 F299 N330 A331	E294-L328 HydrophobicContact CG-CD2 4.38Å; F299-L328 HydrophobicContact CE1-CD1 3.91Å; F299-L328 HydrophobicContact CZ-CD1 4.16Å; F299-L328 HydrophobicContact CZ-CD2 4.21Å; L328-N330 VanDerWaalsContact C-N 3.31Å; L328-N330 PolarHBondContact O-N 2.9Å; L328-A331 HydrophobicContact CB-CB 3.83Å; L328-A331 PolarHBondContact O-N 3.14Å
329	P	90	Very high	96.3	Very high	29 Å²	29	29.5 Å²	29.5	19%	0.188	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-28.6	-165.9	25.9	-35.1	0	0	0	114	G62 Y65	G62-P329 CarbonylContact C-O 3.5Å; G62-P329 WeakPolarHBondContact CA-O 3.42Å; G62-P329 VanDerWaalsContact O-CA 3.25Å; G62-P329 WeakPolarHBondContact O-CA 3.27Å; G62-P329 WeakPolarHBondContact O-CB 3.44Å; Y65-P329 HydrophobicContact CE1-CB 4.02Å; Y65-P329 HydrophobicContact CE1-CG 4.1Å; Y65-P329 HydrophobicContact CE2-CB 4Å; Y65-P329 HydrophobicContact CE2-CG 4.26Å; Y65-P329 WeakPolarHBondContact OH-CD 3.37Å; Y65-P329 VanDerWaalsContact OH-CG 3.3Å; Y65-P329 WeakPolarHBondContact OH-CG 3.32Å
330	N	89.9	Confident	96.3	Very high	149 Å²	149	28.7 Å²	28.7	80%	0.797	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.9	18.1	-177.1	-61.3	-37.5	0	0	0	112.7	L328	L328-N330 VanDerWaalsContact C-N 3.31Å; L328-N330 PolarHBondContact O-N 2.9Å
331	A	90.6	Very high	96.4	Very high	42 Å²	42	28.8 Å²	28.8	35%	0.347	17%	0.17	S	C	.	.	S	Bend	trans	-111.6	156.2	177.9	0	0	0	0	0	111	L328 N333	L328-A331 HydrophobicContact CB-CB 3.83Å; L328-A331 PolarHBondContact O-N 3.14Å; A331-N333 PolarHBondContact O-N 3.12Å
332	V	94.2	Very high	96.4	Very high	92 Å²	92	29.3 Å²	29.3	56%	0.558	17%	0.17	S	C	*	.			trans	-64.5	125.7	165.2	-176.8	0	0	0	0	107.6	L310	L310-V332 HydrophobicContact CD1-CB 4.15Å; L310-V332 HydrophobicContact CD1-CG1 3.69Å
333	N	96	Very high	96.3	Very high	20 Å²	20	37.2 Å²	37.2	11%	0.107	20%	0.204	C	C	.	.			trans	-72.7	137.1	175.5	57.5	-35.8	0	0	0	110.1	A57 A61 E325 A327 A331 Y335 S336	A57-N333 PolarHBondContact O-ND2 2.78Å; A61-N333 HydrophobicContact CB-CB 3.94Å; E325-N333 WeakPolarHBondContact OE1-CA 3.39Å; E325-N333 WeakPolarHBondContact OE2-CB 3.31Å; A327-N333 HydrophobicContact CB-CB 3.78Å; A331-N333 PolarHBondContact O-N 3.12Å; N333-Y335 VanDerWaalsContact C-N 3.28Å; N333-Y335 PolarHBondContact O-N 3.25Å; N333-S336 WeakPolarHBondContact O-CB 3.33Å; N333-S336 PolarHBondContact O-N 3.01Å; N333-S336 VanDerWaalsContact O-N 3.17Å; N333-S336 PolarHBondContact O-OG 3.23Å; N333-S336 WeakPolarHBondContact OD1-CB 3.3Å
334	V	98	Very high	96.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-59.7	-39.1	-177.7	172.7	0	0	0	0	111.3	L297 Q298 L310 A313 A314 E325 S336 E337	L297-V334 HydrophobicContact CB-CB 3.93Å; L297-V334 HydrophobicContact CB-CG1 4.23Å; L297-V334 HydrophobicContact CB-CG2 3.72Å; L297-V334 HydrophobicContact CD1-CB 4.37Å; L297-V334 HydrophobicContact CD1-CG1 4.42Å; Q298-V334 HydrophobicContact CG-CG2 4.12Å; L310-V334 HydrophobicContact CD2-CG2 3.9Å; A313-V334 HydrophobicContact CB-CG1 3.76Å; A314-V334 HydrophobicContact CB-CG1 3.68Å; A314-V334 WeakPolarHBondContact CB-O 3.3Å; A314-V334 VanDerWaalsContact N-CG1 3.29Å; E325-V334 PolarHBondContact OE1-N 3.37Å; E325-V334 PolarHBondContact OE2-N 3.12Å; V334-S336 PolarHBondContact O-N 3.44Å; V334-E337 PolarHBondContact O-N 2.89Å
335	Y	98.2	Very high	96.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-73.9	-3.3	-179.5	-78.4	7.5	0	0	0	114.6	M56 L297 A314 A317 V322 E325 N333 E337 L338	M56-Y335 HydrophobicContact CB-CD2 4.08Å; M56-Y335 HydrophobicContact CE-CD2 4.45Å; M56-Y335 HydrophobicContact CE-CE2 4.15Å; M56-Y335 WeakPolarHBondContact O-CD2 3.3Å; L297-Y335 HydrophobicContact CD1-CD1 3.91Å; L297-Y335 HydrophobicContact CD1-CE1 3.49Å; L297-Y335 VanDerWaalsContact CD1-CE1 3.49Å; A314-Y335 HydrophobicContact CB-CD1 4.39Å; A317-Y335 HydrophobicContact CB-CE1 3.83Å; V322-Y335 VanDerWaalsContact CB-OH 3.25Å; V322-Y335 WeakPolarHBondContact CB-OH 2.66Å; V322-Y335 WeakPolarHBondContact CG1-OH 3.42Å; V322-Y335 PolarHBondContact O-OH 3.21Å; E325-Y335 HydrophobicContact CB-CD2 3.85Å; E325-Y335 HydrophobicContact CB-CE2 4.3Å; E325-Y335 HydrophobicContact CB-CG 4.02Å; E325-Y335 WeakPolarHBondContact OE2-CB 3.44Å; E325-Y335 PolarHBondContact OE2-N 3.33Å; N333-Y335 VanDerWaalsContact C-N 3.28Å; N333-Y335 PolarHBondContact O-N 3.25Å; Y335-E337 PolarHBondContact O-N 2.86Å; Y335-L338 HydrophobicContact CD1-CD1 4.27Å; Y335-L338 HydrophobicContact CD1-CD2 4.35Å; Y335-L338 HydrophobicContact CD1-CG 4.33Å; Y335-L338 HydrophobicContact CD2-CD1 3.91Å; Y335-L338 HydrophobicContact CG-CD1 3.76Å; Y335-L338 HydrophobicContact CG-CG 4.18Å; Y335-L338 WeakPolarHBondContact O-CB 3.4Å; Y335-L338 VanDerWaalsContact O-CG 3.31Å; Y335-L338 WeakPolarHBondContact O-CG 3.42Å; Y335-L338 PolarHBondContact O-N 3.38Å
336	S	96.5	Very high	96.2	Very high	45 Å²	45	47.1 Å²	47.1	32%	0.315	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-60.1	-22.5	166.2	63.6	0	0	0	0	112.7	N333 V334	N333-S336 WeakPolarHBondContact O-CB 3.33Å; N333-S336 PolarHBondContact O-N 3.01Å; N333-S336 VanDerWaalsContact O-N 3.17Å; N333-S336 PolarHBondContact O-OG 3.23Å; N333-S336 WeakPolarHBondContact OD1-CB 3.3Å; V334-S336 PolarHBondContact O-N 3.44Å
337	E	98.1	Very high	96.3	Very high	34 Å²	34	47.1 Å²	47.1	16%	0.159	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-81	-7.7	178.5	-67.8	-60.7	148.2	0	0	114.6	L310 Q311 A314 V334 Y335 L339 N340 L341	L310-E337 HydrophobicContact CB-CG 3.76Å; Q311-E337 HydrophobicContact CG-CB 3.95Å; Q311-E337 HydrophobicContact CG-CG 3.71Å; Q311-E337 WeakPolarHBondContact CG-OE2 3.41Å; Q311-E337 PolarHBondContact NE2-OE2 2.95Å; A314-E337 HydrophobicContact CB-CB 4.25Å; V334-E337 PolarHBondContact O-N 2.89Å; Y335-E337 PolarHBondContact O-N 2.86Å; E337-L339 VanDerWaalsContact C-N 3.31Å; E337-L339 PolarHBondContact O-N 3.28Å; E337-N340 WeakPolarHBondContact O-CB 3.17Å; E337-N340 PolarHBondContact O-N 3.33Å; E337-N340 PolarHBondContact OE2-ND2 3.16Å; E337-L341 PolarHBondContact O-N 2.92Å
338	L	98.4	Very high	96.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.3	-36	-173.8	-67.7	-179.6	0	0	0	113.3	V53 M56 A314 V318 Y335 N340 L341 T342 L352	V53-L338 HydrophobicContact CB-CB 4.46Å; V53-L338 HydrophobicContact CG1-CB 3.9Å; V53-L338 HydrophobicContact CG1-CD1 4.44Å; V53-L338 HydrophobicContact CG2-CB 3.73Å; V53-L338 HydrophobicContact CG2-CD1 4.47Å; M56-L338 HydrophobicContact CB-CD1 4.43Å; M56-L338 HydrophobicContact CE-CD1 3.75Å; M56-L338 HydrophobicContact SD-CD1 4.46Å; A314-L338 HydrophobicContact CB-CD2 4.37Å; V318-L338 HydrophobicContact CG2-CD2 3.41Å; V318-L338 VanDerWaalsContact CG2-CD2 3.41Å; Y335-L338 HydrophobicContact CD1-CD1 4.27Å; Y335-L338 HydrophobicContact CD1-CD2 4.35Å; Y335-L338 HydrophobicContact CD1-CG 4.33Å; Y335-L338 HydrophobicContact CD2-CD1 3.91Å; Y335-L338 HydrophobicContact CG-CD1 3.76Å; Y335-L338 HydrophobicContact CG-CG 4.18Å; Y335-L338 WeakPolarHBondContact O-CB 3.4Å; Y335-L338 VanDerWaalsContact O-CG 3.31Å; Y335-L338 WeakPolarHBondContact O-CG 3.42Å; Y335-L338 PolarHBondContact O-N 3.38Å; L338-N340 VanDerWaalsContact C-N 3.34Å; L338-L341 HydrophobicContact CD2-CD1 4.44Å; L338-L341 PolarHBondContact O-N 3.07Å; L338-T342 WeakPolarHBondContact O-CB 3.41Å; L338-T342 PolarHBondContact O-N 2.84Å; L338-T342 PolarHBondContact O-OG1 2.9Å; L338-L352 HydrophobicContact CD1-CD2 4.22Å; L338-L352 HydrophobicContact CD2-CD2 4.44Å
339	L	97.7	Very high	96.5	Very high	44 Å²	44	52 Å²	52	23%	0.23	31%	0.305	C	S	.	.	H	α-helix	trans	-65.9	-37.5	174.9	-75.1	175.3	0	0	0	112	I49 E50 V53 E337 T342 K343	I49-L339 HydrophobicContact CG2-CD2 4.1Å; E50-L339 HydrophobicContact CG-CD2 4.21Å; V53-L339 HydrophobicContact CB-CD2 4.32Å; V53-L339 HydrophobicContact CB-CG 4.17Å; V53-L339 HydrophobicContact CG1-CG 4.07Å; V53-L339 HydrophobicContact CG2-CD2 3.93Å; V53-L339 HydrophobicContact CG2-CG 4.04Å; E337-L339 VanDerWaalsContact C-N 3.31Å; E337-L339 PolarHBondContact O-N 3.28Å; L339-T342 PolarHBondContact O-N 2.92Å; L339-K343 VanDerWaalsContact O-CG 3.26Å; L339-K343 WeakPolarHBondContact O-CG 3.46Å; L339-K343 PolarHBondContact O-N 3.22Å
340	N	97.9	Very high	96.8	Very high	73 Å²	73	55.9 Å²	55.9	39%	0.39	32%	0.324	S	S	.	.	H	α-helix	trans	-67.3	-45.2	176.8	-67.4	-24.1	0	0	0	110.6	E337 L338 T342 K343 S344	E337-N340 WeakPolarHBondContact O-CB 3.17Å; E337-N340 PolarHBondContact O-N 3.33Å; E337-N340 PolarHBondContact OE2-ND2 3.16Å; L338-N340 VanDerWaalsContact C-N 3.34Å; N340-T342 PolarHBondContact O-N 3.48Å; N340-K343 PolarHBondContact O-N 2.81Å; N340-S344 PolarHBondContact O-N 3.15Å; N340-S344 PolarHBondContact O-OG 3.03Å
341	L	98.4	Very high	97.2	Very high	5 Å²	5	51.7 Å²	51.7	3%	0.026	30%	0.3	C	S	.	.	H	α-helix	trans	-63	-30.7	176.2	-71.5	170.5	0	0	0	113	Q311 A314 L315 E337 L338 S344 G345 N346 V347	Q311-L341 HydrophobicContact CB-CD2 4.43Å; A314-L341 HydrophobicContact CB-CD1 3.74Å; L315-L341 HydrophobicContact CB-CD1 4.15Å; L315-L341 HydrophobicContact CB-CD2 4.36Å; E337-L341 PolarHBondContact O-N 2.92Å; L338-L341 HydrophobicContact CD2-CD1 4.44Å; L338-L341 PolarHBondContact O-N 3.07Å; L341-S344 PolarHBondContact O-OG 2.7Å; L341-G345 PolarHBondContact O-N 2.9Å; L341-N346 HydrophobicContact CB-CB 4.48Å; L341-N346 HydrophobicContact CD2-CB 3.9Å; L341-N346 PolarHBondContact O-N 2.84Å; L341-V347 HydrophobicContact CB-CB 4.26Å; L341-V347 HydrophobicContact CB-CG2 3.94Å; L341-V347 HydrophobicContact CD1-CG2 4.35Å; L341-V347 PolarHBondContact O-N 3.29Å; L341-V347 VanDerWaalsContact O-N 3.11Å
342	T	98	Very high	97.6	Very high	25 Å²	25	49.7 Å²	49.7	15%	0.153	28%	0.283	C	S	.	.	H	α-helix	trans	-72.9	-44.7	174.6	-52.3	0	0	0	0	111.2	I49 L338 L339 N340 S344 G345 V347 E349 L352	I49-T342 HydrophobicContact CG2-CG2 4.3Å; L338-T342 WeakPolarHBondContact O-CB 3.41Å; L338-T342 PolarHBondContact O-N 2.84Å; L338-T342 PolarHBondContact O-OG1 2.9Å; L339-T342 PolarHBondContact O-N 2.92Å; N340-T342 PolarHBondContact O-N 3.48Å; T342-S344 VanDerWaalsContact C-N 3.29Å; T342-S344 PolarHBondContact O-N 2.6Å; T342-G345 PolarHBondContact O-N 2.88Å; T342-G345 VanDerWaalsContact O-N 3.09Å; T342-V347 WeakPolarHBondContact CA-O 3.46Å; T342-E349 HydrophobicContact CG2-CG 4.21Å; T342-L352 VanDerWaalsContact OG1-CD1 3.3Å; T342-L352 WeakPolarHBondContact OG1-CD1 3.4Å
343	K	97.3	Very high	97.8	Very high	166 Å²	166	47.7 Å²	47.7	72%	0.722	27%	0.266	S	S	*	.	H	α-helix	trans	-62.4	-34	176.7	-72.1	168.7	-173.8	172.9	0	112.9	L339 N340 G345	L339-K343 VanDerWaalsContact O-CG 3.26Å; L339-K343 WeakPolarHBondContact O-CG 3.46Å; L339-K343 PolarHBondContact O-N 3.22Å; N340-K343 PolarHBondContact O-N 2.81Å; K343-G345 VanDerWaalsContact C-N 3.3Å
344	S	97.2	Very high	97.9	Very high	71 Å²	71	51.8 Å²	51.8	50%	0.497	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-9.8	176.6	70.5	0	0	0	0	113.7	N340 L341 T342 N346	N340-S344 PolarHBondContact O-N 3.15Å; N340-S344 PolarHBondContact O-OG 3.03Å; L341-S344 PolarHBondContact O-OG 2.7Å; T342-S344 VanDerWaalsContact C-N 3.29Å; T342-S344 PolarHBondContact O-N 2.6Å; S344-N346 VanDerWaalsContact C-N 3.35Å; S344-N346 WeakPolarHBondContact CB-OD1 3.43Å; S344-N346 PolarHBondContact OG-OD1 2.95Å
345	G	97.1	Very high	97.9	Very high	62 Å²	62	52.6 Å²	52.6	64%	0.639	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	9.7	-177.6	0	0	0	0	0	115	L341 T342 K343	L341-G345 PolarHBondContact O-N 2.9Å; T342-G345 PolarHBondContact O-N 2.88Å; T342-G345 VanDerWaalsContact O-N 3.09Å; K343-G345 VanDerWaalsContact C-N 3.3Å
346	N	97.8	Very high	97.8	Very high	80 Å²	80	52.6 Å²	52.6	43%	0.428	29%	0.292	S	S	.	.	S	Bend	trans	-74.6	-30.4	177.3	-71.1	63.5	0	0	0	112.3	L315 K319 L341 S344	L315-N346 HydrophobicContact CD1-CB 4.26Å; K319-N346 PolarHBondContact NZ-O 3.48Å; L341-N346 HydrophobicContact CB-CB 4.48Å; L341-N346 HydrophobicContact CD2-CB 3.9Å; L341-N346 PolarHBondContact O-N 2.84Å; S344-N346 VanDerWaalsContact C-N 3.35Å; S344-N346 WeakPolarHBondContact CB-OD1 3.43Å; S344-N346 PolarHBondContact OG-OD1 2.95Å
347	V	98.2	Very high	97.9	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.006	29%	0.288	C	S	.	.	S	Bend	trans	-122.9	129.1	171.9	176.8	0	0	0	0	107.9	L315 V318 L341 T342 E351 L352	L315-V347 HydrophobicContact CD1-CG2 3.77Å; V318-V347 HydrophobicContact CG1-CG1 4.02Å; V318-V347 HydrophobicContact CG1-CG2 4.12Å; L341-V347 HydrophobicContact CB-CB 4.26Å; L341-V347 HydrophobicContact CB-CG2 3.94Å; L341-V347 HydrophobicContact CD1-CG2 4.35Å; L341-V347 PolarHBondContact O-N 3.29Å; L341-V347 VanDerWaalsContact O-N 3.11Å; T342-V347 WeakPolarHBondContact CA-O 3.46Å; V347-E351 HydrophobicContact CG1-CB 4.2Å; V347-L352 HydrophobicContact CG1-CD1 4.45Å; V347-L352 HydrophobicContact CG1-CD2 3.81Å; V347-L352 HydrophobicContact CG1-CG 3.77Å
348	S	98.1	Very high	97.8	Very high	53 Å²	53	52.6 Å²	52.6	37%	0.371	29%	0.285	S	S	.	.			trans	-83.8	156.2	177.1	62.6	0	0	0	0	112.1	D350 E351 L352	S348-D350 PolarHBondContact O-N 3.14Å; S348-E351 PolarHBondContact N-OE2 3.04Å; S348-E351 WeakPolarHBondContact O-CB 3.48Å; S348-E351 PolarHBondContact O-N 3.26Å; S348-E351 WeakPolarHBondContact OG-CB 3.43Å; S348-E351 WeakPolarHBondContact OG-CG 3.21Å; S348-E351 PolarHBondContact OG-N 2.6Å; S348-E351 PolarHBondContact OG-OE2 3.26Å; S348-L352 PolarHBondContact O-N 3.06Å
349	E	98.1	Very high	97.7	Very high	100 Å²	100	52.7 Å²	52.7	47%	0.467	29%	0.286	S	S	.	.	H	α-helix	trans	-56.8	-38.7	172.1	-69.3	-162	-167.7	0	0	112.5	I49 T342 L352 R353	I49-E349 HydrophobicContact CD1-CB 3.7Å; I49-E349 HydrophobicContact CD1-CG 3.63Å; I49-E349 HydrophobicContact CG1-CB 4.36Å; I49-E349 VanDerWaalsContact CG1-CD 3.49Å; I49-E349 HydrophobicContact CG1-CG 3.72Å; T342-E349 HydrophobicContact CG2-CG 4.21Å; E349-L352 PolarHBondContact O-N 2.83Å; E349-R353 WeakPolarHBondContact O-CG 3.3Å; E349-R353 PolarHBondContact O-N 3.29Å; E349-R353 IonicContact OE2-NH2 3.64Å
350	D	97.9	Very high	97.6	Very high	112 Å²	112	50.7 Å²	50.7	60%	0.599	28%	0.275	S	S	*	.	H	α-helix	trans	-67	-36.1	179.1	-75.3	-24.3	0	0	0	112.2	S348 R353 N354	S348-D350 PolarHBondContact O-N 3.14Å; D350-R353 PolarHBondContact O-N 3.22Å; D350-N354 WeakPolarHBondContact O-CB 3.49Å; D350-N354 VanDerWaalsContact O-CG 3.27Å; D350-N354 PolarHBondContact O-N 2.82Å; D350-N354 PolarHBondContact O-ND2 2.86Å
351	E	98	Very high	97.4	Very high	61 Å²	61	48.5 Å²	48.5	29%	0.285	26%	0.264	S	S	.	.	H	α-helix	trans	-61	-47.8	172.4	-77.5	169.1	120.3	0	0	110.9	K319 V347 S348 R353 N354 L355	K319-E351 IonicContact NZ-OE1 2.71Å; K319-E351 PolarHBondContact NZ-OE1 2.84Å; K319-E351 IonicContact NZ-OE2 3.14Å; K319-E351 PolarHBondContact NZ-OE2 3.03Å; V347-E351 HydrophobicContact CG1-CB 4.2Å; S348-E351 PolarHBondContact N-OE2 3.04Å; S348-E351 WeakPolarHBondContact O-CB 3.48Å; S348-E351 PolarHBondContact O-N 3.26Å; S348-E351 WeakPolarHBondContact OG-CB 3.43Å; S348-E351 WeakPolarHBondContact OG-CG 3.21Å; S348-E351 PolarHBondContact OG-N 2.6Å; S348-E351 PolarHBondContact OG-OE2 3.26Å; E351-R353 PolarHBondContact O-N 2.85Å; E351-N354 PolarHBondContact O-N 2.76Å; E351-L355 VanDerWaalsContact O-CB 3.24Å; E351-L355 WeakPolarHBondContact O-CB 3.22Å; E351-L355 PolarHBondContact O-N 2.6Å
352	L	98.5	Very high	97.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.8	-41.6	177	-67.5	-177.6	0	0	0	112.5	I49 I52 V53 M56 L338 T342 V347 S348 E349 N354 L355 V356	I49-L352 HydrophobicContact CG2-CD1 3.86Å; I52-L352 HydrophobicContact CG2-CB 3.96Å; V53-L352 HydrophobicContact CG2-CD1 3.91Å; M56-L352 HydrophobicContact CE-CD2 4.12Å; M56-L352 HydrophobicContact SD-CD2 4.26Å; L338-L352 HydrophobicContact CD1-CD2 4.22Å; L338-L352 HydrophobicContact CD2-CD2 4.44Å; T342-L352 VanDerWaalsContact OG1-CD1 3.3Å; T342-L352 WeakPolarHBondContact OG1-CD1 3.4Å; V347-L352 HydrophobicContact CG1-CD1 4.45Å; V347-L352 HydrophobicContact CG1-CD2 3.81Å; V347-L352 HydrophobicContact CG1-CG 3.77Å; S348-L352 PolarHBondContact O-N 3.06Å; E349-L352 PolarHBondContact O-N 2.83Å; L352-N354 VanDerWaalsContact C-N 3.33Å; L352-N354 PolarHBondContact O-N 2.92Å; L352-L355 PolarHBondContact O-N 3.38Å; L352-V356 PolarHBondContact O-N 3.48Å
353	R	98.4	Very high	97	Very high	50 Å²	50	47.2 Å²	47.2	19%	0.189	26%	0.256	C	S	.	.	H	α-helix	trans	-62.9	-38.2	176.2	-73.8	178.3	-166.9	-69.2	-5.1	112.4	I44 L47 I52 E349 D350 E351 R357	I44-R353 HydrophobicContact CG2-CB 3.82Å; I44-R353 HydrophobicContact CG2-CG 4.11Å; I44-R353 PolarHBondContact O-NH1 2.84Å; L47-R353 PolarHBondContact O-NH1 3.34Å; I52-R353 HydrophobicContact CD1-CG 3.63Å; E349-R353 WeakPolarHBondContact O-CG 3.3Å; E349-R353 PolarHBondContact O-N 3.29Å; E349-R353 IonicContact OE2-NH2 3.64Å; D350-R353 PolarHBondContact O-N 3.22Å; E351-R353 PolarHBondContact O-N 2.85Å; R353-R357 PolarHBondContact O-N 2.89Å
354	N	97.3	Very high	96.7	Very high	106 Å²	106	39.3 Å²	39.3	57%	0.567	22%	0.221	S	C	*	.	H	α-helix	trans	-70.5	-35.3	174.7	-73.9	-39.9	0	0	0	111.9	D350 E351 L352 R357 P358	D350-N354 WeakPolarHBondContact O-CB 3.49Å; D350-N354 VanDerWaalsContact O-CG 3.27Å; D350-N354 PolarHBondContact O-N 2.82Å; D350-N354 PolarHBondContact O-ND2 2.86Å; E351-N354 PolarHBondContact O-N 2.76Å; L352-N354 VanDerWaalsContact C-N 3.33Å; L352-N354 PolarHBondContact O-N 2.92Å; N354-R357 WeakPolarHBondContact O-CB 3.26Å; N354-P358 WeakPolarHBondContact O-CD 2.99Å
355	L	97.9	Very high	96.3	Very high	16 Å²	16	36.4 Å²	36.4	8%	0.084	20%	0.2	C	C	.	.	H	α-helix	trans	-77.2	-32.1	-177	-160.5	64.1	0	0	0	112.8	M56 V318 V322 N323 E351 L352 R357 P358	M56-L355 HydrophobicContact CE-CB 4.19Å; M56-L355 HydrophobicContact CE-CD2 3.37Å; M56-L355 HydrophobicContact CE-CG 3.82Å; V318-L355 HydrophobicContact CB-CD2 4.17Å; V318-L355 HydrophobicContact CG1-CD2 3.99Å; V318-L355 HydrophobicContact CG2-CD2 3.88Å; V322-L355 WeakPolarHBondContact O-CD1 3.47Å; V322-L355 VanDerWaalsContact O-CD2 3.24Å; V322-L355 WeakPolarHBondContact O-CD2 3.16Å; V322-L355 WeakPolarHBondContact O-CG 3.45Å; N323-L355 WeakPolarHBondContact ND2-CD1 3.26Å; N323-L355 PolarHBondContact ND2-O 2.76Å; E351-L355 VanDerWaalsContact O-CB 3.24Å; E351-L355 WeakPolarHBondContact O-CB 3.22Å; E351-L355 PolarHBondContact O-N 2.6Å; L352-L355 PolarHBondContact O-N 3.38Å; L355-R357 VanDerWaalsContact C-N 3.34Å; L355-P358 WeakPolarHBondContact O-CD 3.32Å
356	V	98.1	Very high	96	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-79.9	-18.5	175.5	78.7	0	0	0	0	112.9	I44 I52 Q55 M56 L352 L359 F360	I44-V356 HydrophobicContact CD1-CG1 3.8Å; I52-V356 HydrophobicContact CD1-CG1 4.16Å; I52-V356 HydrophobicContact CG1-CG1 4.02Å; I52-V356 HydrophobicContact CG2-CB 3.8Å; I52-V356 HydrophobicContact CG2-CG1 3.94Å; I52-V356 HydrophobicContact CG2-CG2 4.12Å; Q55-V356 HydrophobicContact CB-CG2 4.25Å; M56-V356 HydrophobicContact CG-CB 4.29Å; M56-V356 HydrophobicContact CG-CG2 4.06Å; M56-V356 HydrophobicContact SD-CB 4.13Å; M56-V356 HydrophobicContact SD-CG2 4.48Å; L352-V356 PolarHBondContact O-N 3.48Å; V356-L359 HydrophobicContact CG2-CD1 4.13Å; V356-L359 VanDerWaalsContact O-CB 3.32Å; V356-L359 WeakPolarHBondContact O-CB 3.42Å; V356-L359 PolarHBondContact O-N 3.39Å; V356-F360 HydrophobicContact CG2-CD2 3.92Å; V356-F360 HydrophobicContact CG2-CE2 3.75Å; V356-F360 PolarHBondContact O-N 3.45Å
357	R	97.1	Very high	95.5	Very high	65 Å²	65	29.9 Å²	29.9	25%	0.245	15%	0.152	C	C	.	.	H	α-helix	trans	-55.6	-45.8	-174.2	174.5	179.8	-78.9	-97.6	3.5	113.7	L40 D41 I44 R353 N354 L355 L359 F360 L361	L40-R357 HydrophobicContact CD1-CG 4.22Å; L40-R357 HydrophobicContact CD2-CG 3.49Å; L40-R357 VanDerWaalsContact CD2-CG 3.49Å; L40-R357 HydrophobicContact CG-CG 3.86Å; D41-R357 IonicContact OD1-CZ 2.6Å; D41-R357 IonicContact OD1-NH1 2.76Å; D41-R357 PolarHBondContact OD1-NH1 2.81Å; D41-R357 IonicContact OD1-NH2 2.68Å; D41-R357 PolarHBondContact OD1-NH2 2.59Å; I44-R357 HydrophobicContact CG1-CB 4.31Å; I44-R357 HydrophobicContact CG1-CG 4.5Å; R353-R357 PolarHBondContact O-N 2.89Å; N354-R357 WeakPolarHBondContact O-CB 3.26Å; L355-R357 VanDerWaalsContact C-N 3.34Å; R357-L359 VanDerWaalsContact C-N 3.27Å; R357-L359 PolarHBondContact O-N 3.27Å; R357-F360 PolarHBondContact O-N 3.46Å; R357-L361 PolarHBondContact O-N 3.2Å
358	P	95.9	Very high	95.1	Very high	15 Å²	15	31.9 Å²	31.9	10%	0.097	16%	0.161	C	C	.	.	H	α-helix	trans	-61.6	-29.6	176.3	-28.2	39.2	0	0	0	114.6	P287 F289 N354 L355 L361 A362	P287-P358 WeakPolarHBondContact O-CB 2.94Å; F289-P358 HydrophobicContact CB-CB 3.76Å; N354-P358 WeakPolarHBondContact O-CD 2.99Å; L355-P358 WeakPolarHBondContact O-CD 3.32Å; P358-L361 WeakPolarHBondContact O-CB 3.16Å; P358-L361 PolarHBondContact O-N 3.23Å; P358-A362 PolarHBondContact O-N 2.97Å; P358-A362 VanDerWaalsContact O-N 3.09Å
359	L	97	Very high	94.7	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-66	-48.6	176.9	-57.5	179.3	0	0	0	110.5	M56 W81 F289 N323 I324 V356 R357 L361 A362 R363	M56-L359 HydrophobicContact CG-CD1 4.15Å; W81-L359 HydrophobicContact CH2-CB 3.7Å; W81-L359 HydrophobicContact CH2-CD2 3.76Å; W81-L359 HydrophobicContact CH2-CG 4.32Å; W81-L359 WeakPolarHBondContact CH2-O 3.37Å; W81-L359 HydrophobicContact CZ2-CB 3.67Å; W81-L359 HydrophobicContact CZ2-CD2 3.88Å; W81-L359 HydrophobicContact CZ2-CG 4.23Å; W81-L359 HydrophobicContact CZ3-CD2 4.14Å; F289-L359 HydrophobicContact CB-CD2 3.63Å; F289-L359 HydrophobicContact CD1-CD2 4.32Å; F289-L359 HydrophobicContact CD2-CD2 4.02Å; F289-L359 HydrophobicContact CG-CD2 3.75Å; N323-L359 HydrophobicContact CB-CD2 4.21Å; N323-L359 HydrophobicContact CB-CG 4.39Å; I324-L359 HydrophobicContact CB-CD1 4.1Å; I324-L359 HydrophobicContact CB-CD2 3.95Å; I324-L359 HydrophobicContact CG2-CD2 3.74Å; V356-L359 HydrophobicContact CG2-CD1 4.13Å; V356-L359 VanDerWaalsContact O-CB 3.32Å; V356-L359 WeakPolarHBondContact O-CB 3.42Å; V356-L359 PolarHBondContact O-N 3.39Å; R357-L359 VanDerWaalsContact C-N 3.27Å; R357-L359 PolarHBondContact O-N 3.27Å; L359-L361 VanDerWaalsContact C-N 3.3Å; L359-L361 PolarHBondContact O-N 2.83Å; L359-A362 PolarHBondContact O-N 3.21Å; L359-R363 WeakPolarHBondContact O-CG 3.4Å; L359-R363 PolarHBondContact O-N 3.2Å
360	F	96	Very high	94.1	Very high	1 Å²	1	25.9 Å²	25.9	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-71.8	-25	176.8	-76.7	-71.4	0	0	0	113.4	L40 L43 I44 L47 Q55 I71 I76 V356 R357 I364	L40-F360 HydrophobicContact CD1-CB 3.73Å; L43-F360 HydrophobicContact CD2-CB 3.94Å; L43-F360 HydrophobicContact CD2-CD1 3.53Å; L43-F360 HydrophobicContact CD2-CE1 4.2Å; L43-F360 HydrophobicContact CD2-CG 3.86Å; L43-F360 HydrophobicContact CG-CD1 4.3Å; L43-F360 HydrophobicContact CG-CG 4.43Å; I44-F360 HydrophobicContact CD1-CB 4.21Å; I44-F360 HydrophobicContact CD1-CD2 3.74Å; I44-F360 HydrophobicContact CD1-CG 4.28Å; L47-F360 HydrophobicContact CD1-CD2 3.87Å; L47-F360 HydrophobicContact CD1-CE2 3.31Å; L47-F360 HydrophobicContact CD1-CZ 3.79Å; L47-F360 HydrophobicContact CD2-CE2 4.47Å; L47-F360 HydrophobicContact CD2-CZ 4.14Å; Q55-F360 HydrophobicContact CG-CE2 4.05Å; Q55-F360 HydrophobicContact CG-CZ 3.79Å; I71-F360 HydrophobicContact CD1-CZ 4.23Å; I76-F360 HydrophobicContact CD1-CE1 4.26Å; V356-F360 HydrophobicContact CG2-CD2 3.92Å; V356-F360 HydrophobicContact CG2-CE2 3.75Å; V356-F360 PolarHBondContact O-N 3.45Å; R357-F360 PolarHBondContact O-N 3.46Å; F360-I364 WeakPolarHBondContact O-CB 3.42Å; F360-I364 VanDerWaalsContact O-CG1 3.27Å; F360-I364 WeakPolarHBondContact O-CG1 3.3Å; F360-I364 PolarHBondContact O-N 3.45Å
361	L	93.9	Very high	93.4	Very high	28 Å²	28	23.1 Å²	23.1	15%	0.147	12%	0.117	C	C	.	.	H	α-helix	trans	-60.5	-48.9	168.7	176.6	61	0	0	0	110.9	I36 L40 P287 R357 P358 L359 R363 I364 L365	I36-L361 HydrophobicContact CG2-CD1 3.52Å; L40-L361 HydrophobicContact CD2-CB 4.01Å; L40-L361 HydrophobicContact CD2-CD1 4.33Å; P287-L361 HydrophobicContact CB-CD2 4.18Å; R357-L361 PolarHBondContact O-N 3.2Å; P358-L361 WeakPolarHBondContact O-CB 3.16Å; P358-L361 PolarHBondContact O-N 3.23Å; L359-L361 VanDerWaalsContact C-N 3.3Å; L359-L361 PolarHBondContact O-N 2.83Å; L361-R363 PolarHBondContact O-N 3.42Å; L361-I364 PolarHBondContact O-N 3.06Å; L361-L365 HydrophobicContact CD1-CD1 3.98Å; L361-L365 HydrophobicContact CD1-CG 4.08Å; L361-L365 HydrophobicContact CG-CD1 3.9Å; L361-L365 HydrophobicContact CG-CG 4.42Å; L361-L365 WeakPolarHBondContact O-CB 2.83Å; L361-L365 VanDerWaalsContact O-CG 3.27Å; L361-L365 WeakPolarHBondContact O-CG 2.99Å; L361-L365 PolarHBondContact O-N 2.88Å
362	A	93.3	Very high	92.5	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.008	13%	0.128	C	C	.	.	H	α-helix	trans	-58.4	-47	177.6	0	0	0	0	0	111.7	W81 V255 F289 P358 L359 I364 L365 E366	W81-A362 HydrophobicContact CH2-CB 4.3Å; W81-A362 HydrophobicContact CZ3-CB 4.22Å; V255-A362 HydrophobicContact CB-CB 4.18Å; F289-A362 HydrophobicContact CD1-CB 4.09Å; F289-A362 HydrophobicContact CE1-CB 3.9Å; P358-A362 PolarHBondContact O-N 2.97Å; P358-A362 VanDerWaalsContact O-N 3.09Å; L359-A362 PolarHBondContact O-N 3.21Å; A362-I364 PolarHBondContact O-N 3.5Å; A362-L365 CarbonylContact O-C 3.59Å; A362-L365 WeakPolarHBondContact O-CB 3.09Å; A362-L365 PolarHBondContact O-N 3.25Å; A362-L365 VanDerWaalsContact O-N 3.1Å; A362-E366 WeakPolarHBondContact O-CG 3.37Å; A362-E366 PolarHBondContact O-N 3.46Å
363	R	93.6	Very high	91.8	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-61.6	-38.9	177.7	-66.4	173.8	70.1	160	16.6	113.5	K77 Y79 W81 L359 L361 E366 G367 E368	K77-R363 PolarHBondContact O-NH2 3.12Å; Y79-R363 HydrophobicContact CD1-CG 4.38Å; Y79-R363 HydrophobicContact CD2-CG 4.14Å; Y79-R363 HydrophobicContact CE1-CG 4.09Å; Y79-R363 HydrophobicContact CE2-CG 3.87Å; Y79-R363 HydrophobicContact CG-CG 4.33Å; W81-R363 HydrophobicContact CH2-CG 4.23Å; W81-R363 HydrophobicContact CZ2-CG 4.36Å; L359-R363 WeakPolarHBondContact O-CG 3.4Å; L359-R363 PolarHBondContact O-N 3.2Å; L361-R363 PolarHBondContact O-N 3.42Å; R363-E366 PolarHBondContact O-N 3.3Å; R363-G367 PolarHBondContact O-N 3.18Å; R363-E368 HydrophobicContact CB-CB 4.49Å; R363-E368 IonicContact CZ-OE1 2.73Å; R363-E368 IonicContact CZ-OE2 3.7Å; R363-E368 VanDerWaalsContact CZ-OE2 3.24Å; R363-E368 IonicContact NE-OE1 3.72Å; R363-E368 PolarHBondContact NE-OE1 3.08Å; R363-E368 IonicContact NE-OE2 3.19Å; R363-E368 PolarHBondContact NE-OE2 2.8Å; R363-E368 VanDerWaalsContact NH2-CD 3.26Å; R363-E368 IonicContact NH2-OE1 2.81Å; R363-E368 PolarHBondContact NH2-OE1 3.39Å; R363-E368 IonicContact NH2-OE2 3.34Å; R363-E368 PolarHBondContact NH2-OE2 3.49Å; R363-E368 WeakPolarHBondContact O-CB 3.42Å; R363-E368 PolarHBondContact O-N 2.94Å; R363-E368 VanDerWaalsContact O-N 3.15Å
364	I	91.3	Very high	91.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.3	-45.7	172.7	-74.1	168.5	0	0	0	110.5	I36 R39 L40 L43 F360 L361 A362 E366 G367 L369	I36-I364 HydrophobicContact CD1-CG2 4.42Å; I36-I364 HydrophobicContact CG1-CG2 4.2Å; I36-I364 HydrophobicContact CG2-CG2 4.31Å; R39-I364 HydrophobicContact CB-CD1 4.4Å; L40-I364 HydrophobicContact CB-CD1 4.17Å; L40-I364 HydrophobicContact CD1-CD1 4.1Å; L43-I364 HydrophobicContact CD2-CD1 4.41Å; F360-I364 WeakPolarHBondContact O-CB 3.42Å; F360-I364 VanDerWaalsContact O-CG1 3.27Å; F360-I364 WeakPolarHBondContact O-CG1 3.3Å; F360-I364 PolarHBondContact O-N 3.45Å; L361-I364 PolarHBondContact O-N 3.06Å; A362-I364 PolarHBondContact O-N 3.5Å; I364-E366 PolarHBondContact O-N 2.6Å; I364-G367 PolarHBondContact O-N 3.33Å; I364-G367 VanDerWaalsContact O-N 3.13Å; I364-L369 HydrophobicContact CD1-CD1 4.39Å; I364-L369 HydrophobicContact CG1-CD1 3.69Å; I364-L369 HydrophobicContact CG1-CG 4.41Å
365	L	89	Confident	90.5	Very high	10 Å²	10	29.2 Å²	29.2	5%	0.052	15%	0.153	C	C	.	.	H	α-helix	trans	-65.5	-26.4	-179.9	-73.2	172.6	0	0	0	112.4	I36 H202 V203 L204 L361 A362 G367	I36-L365 HydrophobicContact CD1-CD2 3.51Å; I36-L365 HydrophobicContact CD1-CG 4.45Å; H202-L365 CarbonylContact O-C 3.51Å; V203-L365 CarbonylContact C-O 3.52Å; V203-L365 WeakPolarHBondContact CA-O 3.35Å; L204-L365 HydrophobicContact CD1-CB 3.84Å; L204-L365 HydrophobicContact CD1-CD1 4.45Å; L204-L365 HydrophobicContact CG-CB 4.07Å; L204-L365 WeakPolarHBondContact CG-O 3.33Å; L204-L365 PolarHBondContact N-O 2.99Å; L361-L365 HydrophobicContact CD1-CD1 3.98Å; L361-L365 HydrophobicContact CD1-CG 4.08Å; L361-L365 HydrophobicContact CG-CD1 3.9Å; L361-L365 HydrophobicContact CG-CG 4.42Å; L361-L365 WeakPolarHBondContact O-CB 2.83Å; L361-L365 VanDerWaalsContact O-CG 3.27Å; L361-L365 WeakPolarHBondContact O-CG 2.99Å; L361-L365 PolarHBondContact O-N 2.88Å; A362-L365 CarbonylContact O-C 3.59Å; A362-L365 WeakPolarHBondContact O-CB 3.09Å; A362-L365 PolarHBondContact O-N 3.25Å; A362-L365 VanDerWaalsContact O-N 3.1Å; L365-G367 VanDerWaalsContact C-N 3.28Å
366	E	90.2	Very high	89.7	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	1.4	176	-71.2	170.5	-172.2	0	0	113.8	Y79 R120 I138 N139 A362 R363 I364	Y79-E366 WeakPolarHBondContact CE2-OE2 3.46Å; Y79-E366 PolarHBondContact OH-OE1 2.77Å; Y79-E366 PolarHBondContact OH-OE2 3.18Å; R120-E366 PolarHBondContact NH1-O 3.27Å; R120-E366 PolarHBondContact NH2-O 3.06Å; I138-E366 HydrophobicContact CD1-CB 3.94Å; I138-E366 HydrophobicContact CD1-CG 4.18Å; I138-E366 WeakPolarHBondContact CD1-OE2 3.44Å; I138-E366 WeakPolarHBondContact CG1-OE2 3.4Å; N139-E366 PolarHBondContact ND2-OE1 2.84Å; N139-E366 PolarHBondContact OD1-OE1 2.97Å; A362-E366 WeakPolarHBondContact O-CG 3.37Å; A362-E366 PolarHBondContact O-N 3.46Å; R363-E366 PolarHBondContact O-N 3.3Å; I364-E366 PolarHBondContact O-N 2.6Å
367	G	88.9	Confident	89.2	Confident	4 Å²	4	30.3 Å²	30.3	4%	0.041	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	8.6	176.8	0	0	0	0	0	114.8	R363 I364 L365 L369 N370	R363-G367 PolarHBondContact O-N 3.18Å; I364-G367 PolarHBondContact O-N 3.33Å; I364-G367 VanDerWaalsContact O-N 3.13Å; L365-G367 VanDerWaalsContact C-N 3.28Å; G367-L369 PolarHBondContact O-N 3.34Å; G367-L369 VanDerWaalsContact O-N 3.13Å; G367-N370 VanDerWaalsContact O-CB 3.3Å; G367-N370 WeakPolarHBondContact O-CB 3.27Å; G367-N370 PolarHBondContact O-N 2.86Å
368	E	89.3	Confident	88.7	Confident	44 Å²	44	28.1 Å²	28.1	21%	0.206	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-32.8	-173.8	-168	-155.2	-150.2	0	0	113.4	Y79 R363	Y79-E368 WeakPolarHBondContact CD2-OE1 3.38Å; R363-E368 HydrophobicContact CB-CB 4.49Å; R363-E368 IonicContact CZ-OE1 2.73Å; R363-E368 IonicContact CZ-OE2 3.7Å; R363-E368 VanDerWaalsContact CZ-OE2 3.24Å; R363-E368 IonicContact NE-OE1 3.72Å; R363-E368 PolarHBondContact NE-OE1 3.08Å; R363-E368 IonicContact NE-OE2 3.19Å; R363-E368 PolarHBondContact NE-OE2 2.8Å; R363-E368 VanDerWaalsContact NH2-CD 3.26Å; R363-E368 IonicContact NH2-OE1 2.81Å; R363-E368 PolarHBondContact NH2-OE1 3.39Å; R363-E368 IonicContact NH2-OE2 3.34Å; R363-E368 PolarHBondContact NH2-OE2 3.49Å; R363-E368 WeakPolarHBondContact O-CB 3.42Å; R363-E368 PolarHBondContact O-N 2.94Å; R363-E368 VanDerWaalsContact O-N 3.15Å
369	L	88.1	Confident	88.3	Confident	4 Å²	4	34.4 Å²	34.4	2%	0.021	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-2.2	-178.4	-54.2	-173.1	0	0	0	113.6	F29 R30 L43 I76 I364 G367	F29-L369 HydrophobicContact CD2-CD1 3.88Å; F29-L369 HydrophobicContact CE2-CD1 4.38Å; R30-L369 PolarHBondContact NH1-O 3.33Å; L43-L369 HydrophobicContact CD2-CD1 3.61Å; I76-L369 HydrophobicContact CG1-CD2 4.14Å; I364-L369 HydrophobicContact CD1-CD1 4.39Å; I364-L369 HydrophobicContact CG1-CD1 3.69Å; I364-L369 HydrophobicContact CG1-CG 4.41Å; G367-L369 PolarHBondContact O-N 3.34Å; G367-L369 VanDerWaalsContact O-N 3.13Å
370	N	86.6	Confident	88	Confident	23 Å²	23	35 Å²	35	12%	0.123	19%	0.187	C	C	.	.	S	Bend	trans	-85	162.7	179.5	-55.6	-3.2	0	0	0	110.1	L32 R39 G367 M374	L32-N370 HydrophobicContact CD2-CB 4.42Å; L32-N370 VanDerWaalsContact CD2-OD1 3.25Å; L32-N370 WeakPolarHBondContact CD2-OD1 3.42Å; R39-N370 PolarHBondContact NH2-OD1 3.47Å; G367-N370 VanDerWaalsContact O-CB 3.3Å; G367-N370 WeakPolarHBondContact O-CB 3.27Å; G367-N370 PolarHBondContact O-N 2.86Å; N370-M374 HydrophobicContact CB-CB 4.3Å
371	S	82.2	Confident	87.8	Confident	54 Å²	54	39 Å²	39	38%	0.378	21%	0.209	S	C	.	.			trans	-74.3	151.3	166.3	75.2	0	0	0	0	109.8	E373 M374	S371-E373 WeakPolarHBondContact CB-OE2 3.28Å; S371-E373 PolarHBondContact O-N 3.39Å; S371-E373 VanDerWaalsContact O-N 3.14Å; S371-E373 PolarHBondContact OG-OE2 3.23Å; S371-M374 WeakPolarHBondContact O-CB 3.47Å; S371-M374 PolarHBondContact O-N 2.77Å; S371-M374 WeakPolarHBondContact OG-CG 3.34Å
372	P	80.8	Confident	87.8	Confident	77 Å²	77	38.9 Å²	38.9	50%	0.5	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-55.1	-32.6	-178	-27.2	35.9	0	0	0	113.9	M374 D375 A378	P372-M374 PolarHBondContact O-N 2.95Å; P372-D375 PolarHBondContact O-N 3.25Å; P372-D375 VanDerWaalsContact O-N 3.17Å; P372-A378 HydrophobicContact CB-CB 4.37Å
373	E	83.4	Confident	87.7	Confident	146 Å²	146	44 Å²	44	68%	0.682	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-67.6	-16.8	179.4	-50.1	76.1	-163.2	0	0	112.8	S371	S371-E373 WeakPolarHBondContact CB-OE2 3.28Å; S371-E373 PolarHBondContact O-N 3.39Å; S371-E373 VanDerWaalsContact O-N 3.14Å; S371-E373 PolarHBondContact OG-OE2 3.23Å
374	M	82.9	Confident	87.4	Confident	104 Å²	104	48.1 Å²	48.1	51%	0.512	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-102.5	0.6	179.6	-60	-58.3	-55.1	0	0	112.8	L32 N370 S371 P372	L32-M374 HydrophobicContact CD1-CB 3.61Å; L32-M374 HydrophobicContact CD1-CE 3.66Å; L32-M374 HydrophobicContact CD1-CG 3.59Å; L32-M374 HydrophobicContact CD1-SD 4.36Å; N370-M374 HydrophobicContact CB-CB 4.3Å; S371-M374 WeakPolarHBondContact O-CB 3.47Å; S371-M374 PolarHBondContact O-N 2.77Å; S371-M374 WeakPolarHBondContact OG-CG 3.34Å; P372-M374 PolarHBondContact O-N 2.95Å
375	D	84.8	Confident	87.3	Confident	17 Å²	17	48.5 Å²	48.5	9%	0.091	27%	0.273	C	S	.	.			trans	-104.4	109.5	174.1	172.4	8.6	0	0	0	109.2	R120 P372 Y377 A378	R120-D375 IonicContact CZ-OD2 3.35Å; R120-D375 IonicContact NE-OD2 3.1Å; R120-D375 IonicContact NH2-OD1 3.6Å; R120-D375 PolarHBondContact NH2-OD1 2.96Å; R120-D375 IonicContact NH2-OD2 3.96Å; R120-D375 PolarHBondContact NH2-OD2 2.97Å; P372-D375 PolarHBondContact O-N 3.25Å; P372-D375 VanDerWaalsContact O-N 3.17Å; D375-Y377 PolarHBondContact O-N 3.39Å; D375-Y377 PolarHBondContact OD1-N 3.42Å; D375-A378 HydrophobicContact CB-CB 3.95Å; D375-A378 WeakPolarHBondContact O-CB 3.22Å; D375-A378 PolarHBondContact O-N 2.99Å; D375-A378 VanDerWaalsContact O-N 3.17Å
376	P	81.5	Confident	87.4	Confident	39 Å²	39	49.1 Å²	49.1	25%	0.253	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-12.8	-177	29	-36	0	0	0	113.5	R200	R200-P376 HydrophobicContact CB-CG 4.24Å
377	Y	86.7	Confident	87.2	Confident	1 Å²	1	50.6 Å²	50.6	0%	0.004	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-1	-178.3	-47.5	-62.4	0	0	0	113.3	N124 V203 L205 D375 H379 L380 I617	N124-Y377 PolarHBondContact ND2-O 3.15Å; V203-Y377 HydrophobicContact CG1-CD2 4.03Å; V203-Y377 HydrophobicContact CG1-CE2 4.19Å; L205-Y377 HydrophobicContact CB-CD2 4.48Å; L205-Y377 HydrophobicContact CB-CE2 4.1Å; L205-Y377 HydrophobicContact CD1-CD1 3.78Å; L205-Y377 HydrophobicContact CD1-CD2 4.27Å; L205-Y377 HydrophobicContact CD1-CE1 4.07Å; L205-Y377 HydrophobicContact CD1-CG 3.88Å; D375-Y377 PolarHBondContact O-N 3.39Å; D375-Y377 PolarHBondContact OD1-N 3.42Å; Y377-H379 PolarHBondContact O-N 3.31Å; Y377-H379 VanDerWaalsContact O-N 3.13Å; Y377-L380 HydrophobicContact CD1-CD1 4.29Å; Y377-L380 PolarHBondContact O-N 3.02Å; Y377-I617 HydrophobicContact CE1-CD1 4.39Å
378	A	87.2	Confident	87	Confident	18 Å²	18	51.6 Å²	51.6	15%	0.149	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-22.2	-175.5	0	0	0	0	0	114	N124 P372 D375	N124-A378 PolarHBondContact ND2-O 3.35Å; P372-A378 HydrophobicContact CB-CB 4.37Å; D375-A378 HydrophobicContact CB-CB 3.95Å; D375-A378 WeakPolarHBondContact O-CB 3.22Å; D375-A378 PolarHBondContact O-N 2.99Å; D375-A378 VanDerWaalsContact O-N 3.17Å
379	H	86.9	Confident	86.6	Confident	147 Å²	147	55.2 Å²	55.2	68%	0.681	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	1.8	-177.3	-59.1	-58.5	0	0	0	114.2	Y377 L381	Y377-H379 PolarHBondContact O-N 3.31Å; Y377-H379 VanDerWaalsContact O-N 3.13Å; H379-L381 PolarHBondContact O-N 3.38Å
380	L	90.6	Very high	86.2	Confident	14 Å²	14	59.5 Å²	59.5	7%	0.073	32%	0.323	C	S	.	.			trans	-64	130.6	174.1	-67.5	175.8	0	0	0	110.5	L117 R120 A121 N124 L205 Y377 V385 L614	L117-L380 HydrophobicContact CD2-CD1 3.79Å; L117-L380 HydrophobicContact CD2-CD2 4.38Å; R120-L380 HydrophobicContact CB-CD1 4.12Å; R120-L380 HydrophobicContact CG-CD1 4.04Å; A121-L380 HydrophobicContact CB-CB 3.97Å; N124-L380 PolarHBondContact ND2-O 3.13Å; L205-L380 HydrophobicContact CD1-CD1 4.14Å; Y377-L380 HydrophobicContact CD1-CD1 4.29Å; Y377-L380 PolarHBondContact O-N 3.02Å; L380-V385 HydrophobicContact CD2-CG1 4.42Å; L380-L614 HydrophobicContact CD2-CD2 4.27Å
381	L	92.5	Very high	86.2	Confident	87 Å²	87	58.6 Å²	58.6	46%	0.455	32%	0.318	S	S	.	.			trans	-115.7	137.2	-178.6	-64.6	176.7	0	0	0	110.7	H379 S383 T384 V385	H379-L381 PolarHBondContact O-N 3.38Å; L381-S383 PolarHBondContact O-N 3.09Å; L381-T384 HydrophobicContact CB-CG2 4.33Å; L381-T384 PolarHBondContact O-N 3.1Å; L381-T384 PolarHBondContact O-OG1 3.27Å; L381-V385 PolarHBondContact O-N 3.3Å
382	P	93.3	Very high	86.3	Confident	24 Å²	24	59.2 Å²	59.2	16%	0.156	31%	0.314	C	S	.	.	H	α-helix	trans	-55.4	-37.1	178.3	-31	38.4	0	0	0	113.3	A121 K122 Q125 T384 V385 V386	A121-P382 HydrophobicContact CB-CG 4.29Å; A121-P382 WeakPolarHBondContact O-CD 3.28Å; A121-P382 WeakPolarHBondContact O-CG 3.45Å; K122-P382 HydrophobicContact CG-CG 4.45Å; Q125-P382 HydrophobicContact CB-CG 4.11Å; P382-T384 PolarHBondContact O-N 2.75Å; P382-V385 PolarHBondContact O-N 3.45Å; P382-V386 HydrophobicContact CB-CG2 3.97Å; P382-V386 VanDerWaalsContact O-CB 3.24Å; P382-V386 WeakPolarHBondContact O-CB 3.34Å; P382-V386 PolarHBondContact O-N 2.61Å
383	S	93	Very high	86.3	Confident	109 Å²	109	58.3 Å²	58.3	76%	0.762	30%	0.3	S	S	*	.	H	α-helix	trans	-63.3	-18.3	179.7	53.7	0	0	0	0	114.9	L381	L381-S383 PolarHBondContact O-N 3.09Å
384	T	87.3	Confident	86.3	Confident	87 Å²	87	52.1 Å²	52.1	53%	0.534	27%	0.272	S	S	.	.	H	α-helix	trans	-99.3	-31.5	-179.2	60.3	0	0	0	0	113	L381 P382	L381-T384 HydrophobicContact CB-CG2 4.33Å; L381-T384 PolarHBondContact O-N 3.1Å; L381-T384 PolarHBondContact O-OG1 3.27Å; P382-T384 PolarHBondContact O-N 2.75Å
385	V	88.1	Confident	86.5	Confident	9 Å²	9	47.2 Å²	47.2	6%	0.055	25%	0.248	C	C	.	.	H	α-helix	trans	-113.9	-32.8	-172.4	-61.3	0	0	0	0	114.7	A121 L380 L381 P382 K387 S388 H391	A121-V385 HydrophobicContact CB-CG2 3.39Å; L380-V385 HydrophobicContact CD2-CG1 4.42Å; L381-V385 PolarHBondContact O-N 3.3Å; P382-V385 PolarHBondContact O-N 3.45Å; V385-K387 PolarHBondContact O-N 2.97Å; V385-S388 PolarHBondContact O-N 3.21Å; V385-S388 PolarHBondContact O-OG 3.22Å; V385-H391 PolarHBondContact O-CE1 3.35Å; V385-H391 PolarHBondContact O-ND1 2.65Å
386	V	90.3	Very high	86.5	Confident	22 Å²	22	47.4 Å²	47.4	13%	0.133	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	122.5	-175.4	175.2	0	0	0	0	109.6	L89 E118 K122 P382 S388	L89-V386 HydrophobicContact CD2-CG1 4.26Å; L89-V386 HydrophobicContact CG-CG1 4.07Å; E118-V386 HydrophobicContact CB-CG2 4.07Å; E118-V386 HydrophobicContact CG-CG2 4.16Å; K122-V386 HydrophobicContact CG-CG2 4.25Å; P382-V386 HydrophobicContact CB-CG2 3.97Å; P382-V386 VanDerWaalsContact O-CB 3.24Å; P382-V386 WeakPolarHBondContact O-CB 3.34Å; P382-V386 PolarHBondContact O-N 2.61Å; V386-S388 PolarHBondContact O-N 3.11Å; V386-S388 VanDerWaalsContact O-N 3.12Å
387	K	86.5	Confident	86.6	Confident	32 Å²	32	46 Å²	46	14%	0.139	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	30.6	179.9	-58.6	173.8	63.7	170.9	0	112.6	L89 C90 T91 E118 V385 K392 D451 D454	L89-K387 HydrophobicContact CD1-CD 3.47Å; L89-K387 VanDerWaalsContact CD1-CD 3.47Å; L89-K387 HydrophobicContact CD2-CD 4.43Å; L89-K387 HydrophobicContact CG-CD 3.67Å; C90-K387 VanDerWaalsContact C-CG 3.41Å; C90-K387 WeakPolarHBondContact O-CG 3.06Å; T91-K387 VanDerWaalsContact OG1-CA 3.31Å; T91-K387 WeakPolarHBondContact OG1-CA 3.4Å; T91-K387 PolarHBondContact OG1-N 3.21Å; E118-K387 PolarHBondContact OE1-N 3.44Å; E118-K387 VanDerWaalsContact OE1-N 3.07Å; V385-K387 PolarHBondContact O-N 2.97Å; K387-K392 VanDerWaalsContact O-CE 3.31Å; K387-K392 WeakPolarHBondContact O-CE 3.1Å; K387-D451 IonicContact NZ-OD2 2.6Å; K387-D451 PolarHBondContact NZ-OD2 3.04Å; K387-D454 WeakPolarHBondContact CE-OD2 3.41Å; K387-D454 IonicContact NZ-OD2 3.24Å; K387-D454 PolarHBondContact NZ-OD2 2.79Å
388	S	85.9	Confident	86.7	Confident	25 Å²	25	46.1 Å²	46.1	18%	0.175	24%	0.24	C	C	.	.			trans	-59.4	153.4	175.2	67	0	0	0	0	110.8	V385 V386 R390 H391 K392	V385-S388 PolarHBondContact O-N 3.21Å; V385-S388 PolarHBondContact O-OG 3.22Å; V386-S388 PolarHBondContact O-N 3.11Å; V386-S388 VanDerWaalsContact O-N 3.12Å; S388-R390 PolarHBondContact O-N 3.07Å; S388-R390 VanDerWaalsContact O-N 3.09Å; S388-H391 PolarHBondContact O-N 2.99Å; S388-H391 VanDerWaalsContact OG-CG 3.29Å; S388-H391 PolarHBondContact OG-N 3.1Å; S388-K392 PolarHBondContact O-N 3.26Å
389	E	80.6	Confident	86.9	Confident	121 Å²	121	45.2 Å²	45.2	57%	0.565	23%	0.233	S	C	*	.	H	α-helix	trans	-53.7	-33.9	176.1	-66.8	-55.4	120	0	0	112.1	Y393	E389-Y393 VanDerWaalsContact O-CB 3.26Å; E389-Y393 WeakPolarHBondContact O-CB 3.43Å; E389-Y393 PolarHBondContact O-N 3.38Å
390	R	79.5	Confident	87	Confident	94 Å²	94	38.3 Å²	38.3	36%	0.355	20%	0.201	S	C	.	.	H	α-helix	trans	-62.2	-47.5	173.8	-174	-174.8	-174.9	111.4	23.6	112.3	S388 Y393 L394 W620	S388-R390 PolarHBondContact O-N 3.07Å; S388-R390 VanDerWaalsContact O-N 3.09Å; R390-Y393 PolarHBondContact O-N 3.1Å; R390-L394 WeakPolarHBondContact O-CB 3.5Å; R390-L394 PolarHBondContact O-N 3.49Å; R390-W620 VanDerWaalsContact CZ-CD2 3.43Å; R390-W620 VanDerWaalsContact CZ-CE2 3.48Å
391	H	86.5	Confident	87.1	Confident	4 Å²	4	37.8 Å²	37.8	2%	0.019	20%	0.199	C	C	.	.	H	α-helix	trans	-71.7	-38.7	-179	-66.2	-178.7	0	0	0	111.6	T91 F93 E118 V385 S388 Y393 L394 S395	T91-H391 HydrophobicContact CG2-CB 3.94Å; T91-H391 VanDerWaalsContact OG1-CB 3.22Å; T91-H391 WeakPolarHBondContact OG1-CB 3.26Å; F93-H391 HydrophobicContact CZ-CB 4.33Å; E118-H391 IonicContact OE1-CE1 2.71Å; E118-H391 IonicContact OE1-CG 3.25Å; E118-H391 IonicContact OE1-ND1 3.95Å; E118-H391 PolarHBondContact OE1-ND1 2.74Å; V385-H391 PolarHBondContact O-CE1 3.35Å; V385-H391 PolarHBondContact O-ND1 2.65Å; S388-H391 PolarHBondContact O-N 2.99Å; S388-H391 VanDerWaalsContact OG-CG 3.29Å; S388-H391 PolarHBondContact OG-N 3.1Å; H391-Y393 VanDerWaalsContact C-N 3.32Å; H391-Y393 PolarHBondContact O-N 3.38Å; H391-L394 PolarHBondContact O-N 2.73Å; H391-S395 PolarHBondContact O-N 2.81Å
392	K	83.4	Confident	87.2	Confident	67 Å²	67	33.7 Å²	33.7	29%	0.291	18%	0.177	S	C	.	.	H	α-helix	trans	-57.9	-45.2	172	-70.4	-178.3	170.1	-168.6	0	111.4	K387 S388 S395 L396 D454	K387-K392 VanDerWaalsContact O-CE 3.31Å; K387-K392 WeakPolarHBondContact O-CE 3.1Å; S388-K392 PolarHBondContact O-N 3.26Å; K392-S395 WeakPolarHBondContact O-CB 3.35Å; K392-S395 PolarHBondContact O-N 2.78Å; K392-L396 PolarHBondContact O-N 3.02Å; K392-D454 IonicContact NZ-OD1 3.44Å; K392-D454 PolarHBondContact NZ-OD1 2.96Å; K392-D454 IonicContact NZ-OD2 3.77Å
393	Y	82	Confident	87.3	Confident	57 Å²	57	32.6 Å²	32.6	22%	0.224	17%	0.17	C	C	.	.	H	α-helix	trans	-64.6	-42.9	175.6	-176.3	-103.4	0	0	0	112.8	E389 R390 H391 S395 L396 V397 I624 W629	E389-Y393 VanDerWaalsContact O-CB 3.26Å; E389-Y393 WeakPolarHBondContact O-CB 3.43Å; E389-Y393 PolarHBondContact O-N 3.38Å; R390-Y393 PolarHBondContact O-N 3.1Å; H391-Y393 VanDerWaalsContact C-N 3.32Å; H391-Y393 PolarHBondContact O-N 3.38Å; Y393-S395 VanDerWaalsContact C-N 3.3Å; Y393-S395 PolarHBondContact O-N 2.72Å; Y393-L396 WeakPolarHBondContact O-CB 3.23Å; Y393-L396 PolarHBondContact O-N 3.03Å; Y393-V397 HydrophobicContact CD1-CG2 4.15Å; Y393-V397 HydrophobicContact CE1-CG2 3.72Å; Y393-V397 HydrophobicContact CE2-CG2 4.26Å; Y393-V397 WeakPolarHBondContact O-CG2 3.3Å; Y393-V397 PolarHBondContact O-N 3.34Å; Y393-I624 HydrophobicContact CE1-CG2 4.24Å; Y393-W629 WeakPolarHBondContact OH-CH2 3.47Å; Y393-W629 WeakPolarHBondContact OH-CZ2 3.44Å
394	L	83.4	Confident	87.5	Confident	16 Å²	16	27.4 Å²	27.4	8%	0.084	13%	0.133	C	C	.	.	H	α-helix	trans	-59.9	-41.6	174.6	178.6	65.4	0	0	0	111.6	F93 K110 A114 R390 H391 L396 V397 T398	F93-L394 HydrophobicContact CE1-CB 4.12Å; F93-L394 HydrophobicContact CE1-CD2 3.84Å; F93-L394 HydrophobicContact CE1-CG 3.83Å; F93-L394 HydrophobicContact CZ-CD2 4.06Å; F93-L394 HydrophobicContact CZ-CG 4.5Å; K110-L394 HydrophobicContact CB-CD1 3.9Å; K110-L394 HydrophobicContact CB-CD2 3.89Å; K110-L394 HydrophobicContact CD-CD1 3.93Å; A114-L394 HydrophobicContact CB-CD2 4.04Å; R390-L394 WeakPolarHBondContact O-CB 3.5Å; R390-L394 PolarHBondContact O-N 3.49Å; H391-L394 PolarHBondContact O-N 2.73Å; L394-L396 VanDerWaalsContact C-N 3.34Å; L394-L396 PolarHBondContact O-N 2.97Å; L394-V397 PolarHBondContact O-N 3.49Å; L394-T398 HydrophobicContact CD1-CG2 3.77Å; L394-T398 HydrophobicContact CG-CG2 4.26Å; L394-T398 WeakPolarHBondContact O-CB 3.46Å; L394-T398 WeakPolarHBondContact O-CG2 3.18Å; L394-T398 PolarHBondContact O-N 3.12Å; L394-T398 PolarHBondContact O-OG1 2.77Å
395	S	86.7	Confident	88	Confident	1 Å²	1	23.3 Å²	23.3	1%	0.007	11%	0.108	C	C	.	.	H	α-helix	trans	-59	-46.7	175	174.4	0	0	0	0	111.3	S92 H391 K392 Y393 V397 T398 A399 I584	S92-S395 WeakPolarHBondContact O-CB 3.29Å; S92-S395 PolarHBondContact O-OG 3.46Å; H391-S395 PolarHBondContact O-N 2.81Å; K392-S395 WeakPolarHBondContact O-CB 3.35Å; K392-S395 PolarHBondContact O-N 2.78Å; Y393-S395 VanDerWaalsContact C-N 3.3Å; Y393-S395 PolarHBondContact O-N 2.72Å; S395-V397 PolarHBondContact O-N 2.95Å; S395-T398 PolarHBondContact O-OG1 3.23Å; S395-A399 WeakPolarHBondContact O-CB 3.46Å; S395-A399 PolarHBondContact O-N 3.18Å; S395-I584 WeakPolarHBondContact OG-CG2 3.15Å
396	L	84.7	Confident	88.5	Confident	22 Å²	22	22.9 Å²	22.9	12%	0.115	11%	0.106	C	C	.	.	H	α-helix	trans	-58.8	-48.3	176.9	178.8	66.7	0	0	0	112.7	K392 Y393 L394 A400 E587 V588 W630	K392-L396 PolarHBondContact O-N 3.02Å; Y393-L396 WeakPolarHBondContact O-CB 3.23Å; Y393-L396 PolarHBondContact O-N 3.03Å; L394-L396 VanDerWaalsContact C-N 3.34Å; L394-L396 PolarHBondContact O-N 2.97Å; L396-A400 PolarHBondContact O-N 2.85Å; L396-A400 VanDerWaalsContact O-N 3.09Å; L396-E587 HydrophobicContact CD1-CB 4.02Å; L396-E587 HydrophobicContact CD1-CG 3.61Å; L396-E587 HydrophobicContact CD2-CG 4.38Å; L396-V588 HydrophobicContact CD1-CG2 3.64Å; L396-W630 HydrophobicContact CD1-CH2 4Å; L396-W630 HydrophobicContact CD1-CZ3 4.44Å; L396-W630 HydrophobicContact CD2-CH2 3.95Å; L396-W630 HydrophobicContact CD2-CZ2 4.49Å; L396-W630 HydrophobicContact CG-CH2 3.81Å
397	V	84.5	Confident	88.9	Confident	9 Å²	9	23 Å²	23	6%	0.055	11%	0.105	C	C	.	.	H	α-helix	trans	-64.5	-50	-178.7	169.9	0	0	0	0	111.2	Y393 L394 S395 A399 A400 K401 W629	Y393-V397 HydrophobicContact CD1-CG2 4.15Å; Y393-V397 HydrophobicContact CE1-CG2 3.72Å; Y393-V397 HydrophobicContact CE2-CG2 4.26Å; Y393-V397 WeakPolarHBondContact O-CG2 3.3Å; Y393-V397 PolarHBondContact O-N 3.34Å; L394-V397 PolarHBondContact O-N 3.49Å; S395-V397 PolarHBondContact O-N 2.95Å; V397-A399 VanDerWaalsContact C-N 3.28Å; V397-A399 PolarHBondContact O-N 3.04Å; V397-A400 PolarHBondContact O-N 2.89Å; V397-K401 HydrophobicContact CG1-CD 4.11Å; V397-K401 WeakPolarHBondContact O-CG 3.43Å; V397-K401 PolarHBondContact O-N 3.38Å; V397-W629 HydrophobicContact CB-CD2 4.43Å; V397-W629 HydrophobicContact CB-CE3 4.23Å; V397-W629 HydrophobicContact CG1-CB 4.47Å; V397-W629 HydrophobicContact CG1-CD2 3.93Å; V397-W629 HydrophobicContact CG1-CE3 3.43Å; V397-W629 VanDerWaalsContact CG1-CE3 3.43Å; V397-W629 HydrophobicContact CG1-CG 4.28Å; V397-W629 HydrophobicContact CG1-CZ3 4.05Å; V397-W629 HydrophobicContact CG2-CD2 3.91Å; V397-W629 HydrophobicContact CG2-CE3 3.79Å; V397-W629 HydrophobicContact CG2-CH2 4.28Å; V397-W629 HydrophobicContact CG2-CZ2 4.36Å; V397-W629 HydrophobicContact CG2-CZ3 3.87Å
398	T	88.7	Confident	89.4	Confident	3 Å²	3	22.8 Å²	22.8	2%	0.018	11%	0.105	C	C	.	.	H	α-helix	trans	-67.1	-32.3	-177.2	54.3	0	0	0	0	112.1	D107 I111 L394 S395 K401 S402	D107-T398 HydrophobicContact CB-CG2 3.85Å; I111-T398 HydrophobicContact CD1-CG2 3.9Å; I111-T398 HydrophobicContact CG1-CG2 3.99Å; L394-T398 HydrophobicContact CD1-CG2 3.77Å; L394-T398 HydrophobicContact CG-CG2 4.26Å; L394-T398 WeakPolarHBondContact O-CB 3.46Å; L394-T398 WeakPolarHBondContact O-CG2 3.18Å; L394-T398 PolarHBondContact O-N 3.12Å; L394-T398 PolarHBondContact O-OG1 2.77Å; S395-T398 PolarHBondContact O-OG1 3.23Å; T398-K401 PolarHBondContact O-N 2.85Å; T398-S402 PolarHBondContact O-N 3.1Å
399	A	90.2	Very high	89.8	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.8	-48.5	171.7	0	0	0	0	0	112.8	V94 S395 V397 K401 S402 I584 V588	V94-A399 HydrophobicContact CG1-CB 3.42Å; V94-A399 VanDerWaalsContact CG1-CB 3.42Å; S395-A399 WeakPolarHBondContact O-CB 3.46Å; S395-A399 PolarHBondContact O-N 3.18Å; V397-A399 VanDerWaalsContact C-N 3.28Å; V397-A399 PolarHBondContact O-N 3.04Å; A399-K401 VanDerWaalsContact C-N 3.26Å; A399-K401 PolarHBondContact O-N 2.95Å; A399-S402 PolarHBondContact O-N 3.17Å; A399-S402 PolarHBondContact O-OG 3.02Å; A399-I584 HydrophobicContact CB-CD1 3.25Å; A399-I584 HydrophobicContact CB-CG1 3.82Å; A399-V588 HydrophobicContact CB-CG2 3.69Å
400	A	89.4	Confident	90.4	Very high	2 Å²	2	25.8 Å²	25.8	2%	0.017	11%	0.113	C	C	.	.	H	α-helix	trans	-58.3	-41.3	176.4	0	0	0	0	0	111.6	L396 V397 S402 M403 V588 W629 W630	L396-A400 PolarHBondContact O-N 2.85Å; L396-A400 VanDerWaalsContact O-N 3.09Å; V397-A400 PolarHBondContact O-N 2.89Å; A400-S402 PolarHBondContact O-N 3.35Å; A400-M403 PolarHBondContact O-N 2.79Å; A400-V588 HydrophobicContact CB-CG1 4.08Å; A400-W629 HydrophobicContact CB-CB 4.27Å; A400-W629 WeakPolarHBondContact CB-O 3.35Å; A400-W630 HydrophobicContact CB-CE3 3.91Å; A400-W630 HydrophobicContact CB-CH2 4.48Å; A400-W630 HydrophobicContact CB-CZ3 3.6Å
401	K	92	Very high	91	Very high	3 Å²	3	25.6 Å²	25.6	1%	0.013	12%	0.116	C	C	.	.	H	α-helix	trans	-66.1	-15.3	176.4	-72.5	-174.8	172.4	-172.7	0	114.3	D104 D107 V397 T398 A399 E626 W629 A634 E731 R768	D104-K401 IonicContact OD2-NZ 2.62Å; D107-K401 WeakPolarHBondContact OD2-CD 3.38Å; D107-K401 IonicContact OD2-NZ 3.56Å; V397-K401 HydrophobicContact CG1-CD 4.11Å; V397-K401 WeakPolarHBondContact O-CG 3.43Å; V397-K401 PolarHBondContact O-N 3.38Å; T398-K401 PolarHBondContact O-N 2.85Å; A399-K401 VanDerWaalsContact C-N 3.26Å; A399-K401 PolarHBondContact O-N 2.95Å; K401-E626 IonicContact NZ-OE2 3.49Å; K401-E626 PolarHBondContact NZ-OE2 3.18Å; K401-W629 HydrophobicContact CG-CB 3.76Å; K401-A634 VanDerWaalsContact O-CB 3.31Å; K401-A634 WeakPolarHBondContact O-CB 3.47Å; K401-E731 WeakPolarHBondContact CE-OE1 3.34Å; K401-E731 IonicContact NZ-OE1 3.8Å; K401-E731 PolarHBondContact NZ-OE1 2.78Å; K401-R768 VanDerWaalsContact CB-NH2 3.34Å; K401-R768 VanDerWaalsContact CG-NH2 3.33Å; K401-R768 PolarHBondContact O-NH1 2.85Å; K401-R768 PolarHBondContact O-NH2 2.9Å
402	S	95.2	Very high	91.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-96	-8.3	-178.7	74.4	0	0	0	0	115.3	N98 T398 A399 A400 V404	N98-S402 WeakPolarHBondContact O-CB 3.25Å; T398-S402 PolarHBondContact O-N 3.1Å; A399-S402 PolarHBondContact O-N 3.17Å; A399-S402 PolarHBondContact O-OG 3.02Å; A400-S402 PolarHBondContact O-N 3.35Å; S402-V404 PolarHBondContact O-N 2.92Å
403	M	94.9	Very high	91.9	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	11%	0.114	C	C	.	.			trans	-75.4	122.1	-179.3	-78.9	-164.6	73.7	0	0	112.9	A400 F576 M581 V588 I589 V592 A634	A400-M403 PolarHBondContact O-N 2.79Å; M403-F576 HydrophobicContact CB-CD1 4.49Å; M403-F576 HydrophobicContact CE-CB 3.72Å; M403-F576 HydrophobicContact CE-CD1 3.58Å; M403-F576 HydrophobicContact CE-CD2 4.29Å; M403-F576 HydrophobicContact CE-CE1 4.19Å; M403-F576 HydrophobicContact CE-CG 3.61Å; M403-M581 HydrophobicContact CB-CE 4.49Å; M403-M581 HydrophobicContact CE-CE 4.16Å; M403-M581 HydrophobicContact CG-CE 3.16Å; M403-M581 HydrophobicContact CG-SD 4.1Å; M403-M581 HydrophobicContact SD-CE 3.71Å; M403-M581 HydrophobicContact SD-SD 4.39Å; M403-V588 HydrophobicContact CG-CG1 4.2Å; M403-V588 HydrophobicContact SD-CG1 3.52Å; M403-V588 VanDerWaalsContact SD-CG1 3.52Å; M403-I589 HydrophobicContact CE-CD1 3.37Å; M403-I589 HydrophobicContact SD-CD1 3.85Å; M403-V592 HydrophobicContact SD-CB 4.21Å; M403-V592 HydrophobicContact SD-CG1 4.32Å; M403-V592 HydrophobicContact SD-CG2 3.87Å; M403-A634 VanDerWaalsContact C-CB 3.48Å; M403-A634 WeakPolarHBondContact O-CB 3.42Å
404	V	98.2	Very high	92.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	116.4	179.3	-174.3	0	0	0	0	110.1	A101 S402 L406 F576 W577 A634 L636	A101-V404 HydrophobicContact CB-CG2 4.11Å; S402-V404 PolarHBondContact O-N 2.92Å; V404-L406 HydrophobicContact CG1-CD2 3.87Å; V404-L406 PolarHBondContact O-N 2.93Å; V404-F576 WeakPolarHBondContact O-CA 3.4Å; V404-W577 HydrophobicContact CB-CB 4.43Å; V404-W577 HydrophobicContact CB-CE3 4.05Å; V404-W577 HydrophobicContact CG2-CE3 3.61Å; V404-W577 HydrophobicContact CG2-CZ3 3.98Å; V404-W577 PolarHBondContact N-O 3.33Å; V404-W577 VanDerWaalsContact N-O 3.13Å; V404-W577 PolarHBondContact O-N 3.04Å; V404-A634 HydrophobicContact CG2-CB 3.74Å; V404-L636 HydrophobicContact CB-CD2 4.38Å; V404-L636 HydrophobicContact CG1-CD2 4.2Å; V404-L636 HydrophobicContact CG1-CG 4.09Å; V404-L636 HydrophobicContact CG2-CD2 4.32Å
405	L	98.2	Very high	92.7	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	112.8	169.9	-177.9	65.3	0	0	0	109.3	K407 N408 F576 P632 L686 Y688	L405-K407 VanDerWaalsContact CD1-O 3.29Å; L405-K407 WeakPolarHBondContact CD1-O 3.15Å; L405-N408 HydrophobicContact CD1-CB 4.23Å; L405-N408 HydrophobicContact CD2-CB 3.97Å; L405-N408 HydrophobicContact CG-CB 4.32Å; L405-F576 HydrophobicContact CB-CD1 4.15Å; L405-F576 HydrophobicContact CB-CE1 3.79Å; L405-F576 HydrophobicContact CD1-CD1 4.07Å; L405-F576 HydrophobicContact CD1-CD2 4.43Å; L405-F576 HydrophobicContact CD1-CE1 3.57Å; L405-F576 HydrophobicContact CD1-CE2 3.96Å; L405-F576 HydrophobicContact CD1-CG 4.48Å; L405-F576 HydrophobicContact CD1-CZ 3.51Å; L405-F576 HydrophobicContact CG-CE1 4.24Å; L405-P632 HydrophobicContact CB-CB 3.77Å; L405-P632 HydrophobicContact CB-CG 4.2Å; L405-P632 HydrophobicContact CD2-CB 4.27Å; L405-P632 HydrophobicContact CD2-CG 4.25Å; L405-L686 HydrophobicContact CB-CB 4.13Å; L405-L686 HydrophobicContact CD2-CB 3.79Å; L405-L686 HydrophobicContact CG-CB 3.86Å; L405-L686 WeakPolarHBondContact O-CB 3.4Å; L405-L686 PolarHBondContact O-N 3.28Å; L405-Y688 HydrophobicContact CD1-CE1 4.47Å; L405-Y688 HydrophobicContact CD2-CD1 3.76Å; L405-Y688 HydrophobicContact CD2-CE1 3.63Å
406	L	98.3	Very high	92.5	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	-31.5	-177.4	-65.9	-179.7	0	0	0	113.1	V404 I563 I575 W577 L636 W640 Y680 Y684	V404-L406 HydrophobicContact CG1-CD2 3.87Å; V404-L406 PolarHBondContact O-N 2.93Å; L406-I563 HydrophobicContact CD1-CD1 4.24Å; L406-I575 HydrophobicContact CB-CB 4.21Å; L406-I575 HydrophobicContact CB-CG2 4.14Å; L406-I575 HydrophobicContact CD1-CG2 4.09Å; L406-I575 PolarHBondContact N-O 3.11Å; L406-W577 HydrophobicContact CD1-CB 3.87Å; L406-W577 HydrophobicContact CG-CB 4.27Å; L406-L636 HydrophobicContact CD2-CD1 3.92Å; L406-L636 HydrophobicContact CD2-CD2 4.23Å; L406-L636 HydrophobicContact CD2-CG 4.15Å; L406-W640 HydrophobicContact CD1-CE3 4.4Å; L406-W640 HydrophobicContact CD1-CH2 4.26Å; L406-W640 HydrophobicContact CD1-CZ3 4.03Å; L406-Y680 HydrophobicContact CB-CE1 4.16Å; L406-Y680 HydrophobicContact CB-CE2 4.03Å; L406-Y680 HydrophobicContact CD1-CD2 4.15Å; L406-Y680 HydrophobicContact CD1-CE2 3.95Å; L406-Y680 HydrophobicContact CD2-CD1 4.24Å; L406-Y680 HydrophobicContact CD2-CD2 3.99Å; L406-Y680 HydrophobicContact CD2-CE1 4.49Å; L406-Y680 HydrophobicContact CD2-CE2 4.26Å; L406-Y680 HydrophobicContact CD2-CG 3.97Å; L406-Y680 HydrophobicContact CG-CD2 4.48Å; L406-Y680 HydrophobicContact CG-CE2 4.32Å; L406-Y680 VanDerWaalsContact O-CE1 3.29Å; L406-Y680 WeakPolarHBondContact O-CE1 3.3Å; L406-Y680 PolarHBondContact O-OH 3.41Å; L406-Y684 HydrophobicContact CD2-CD1 4.18Å; L406-Y684 HydrophobicContact CD2-CE1 4.42Å; L406-Y684 PolarHBondContact O-OH 3.34Å
407	K	97.8	Very high	91.9	Very high	24 Å²	24	35.3 Å²	35.3	10%	0.104	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	137.6	179.3	-179.5	178	174.5	-176.2	0	109	L405 A566 V567 D569 V572 S574 I575	L405-K407 VanDerWaalsContact CD1-O 3.29Å; L405-K407 WeakPolarHBondContact CD1-O 3.15Å; K407-A566 PolarHBondContact NZ-O 3.21Å; K407-V567 PolarHBondContact NZ-O 3.41Å; K407-D569 PolarHBondContact NZ-O 2.97Å; K407-V572 WeakPolarHBondContact CE-O 3.42Å; K407-V572 PolarHBondContact NZ-O 2.71Å; K407-S574 CarbonylContact O-C 3.59Å; K407-S574 WeakPolarHBondContact O-CA 3.23Å; K407-S574 WeakPolarHBondContact O-CB 3.23Å; K407-I575 HydrophobicContact CB-CB 3.93Å; K407-I575 HydrophobicContact CB-CD1 4.02Å; K407-I575 HydrophobicContact CB-CG1 3.87Å; K407-I575 HydrophobicContact CD-CD1 3.78Å; K407-I575 HydrophobicContact CD-CG1 4.09Å; K407-I575 PolarHBondContact N-O 2.96Å; K407-I575 PolarHBondContact O-N 3.17Å
408	N	96.8	Very high	91.1	Very high	27 Å²	27	41.3 Å²	41.3	14%	0.144	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	76.5	169.3	-164.1	34.3	0	0	0	109.6	L405 L413 K573 S574	L405-N408 HydrophobicContact CD1-CB 4.23Å; L405-N408 HydrophobicContact CD2-CB 3.97Å; L405-N408 HydrophobicContact CG-CB 4.32Å; N408-L413 PolarHBondContact ND2-O 3.3Å; N408-L413 PolarHBondContact OD1-N 2.82Å; N408-K573 CarbonylContact C-O 3.43Å; N408-K573 WeakPolarHBondContact CA-O 3.14Å; N408-S574 PolarHBondContact OD1-OG 3.34Å
409	Y	95.4	Very high	89.5	Confident	84 Å²	84	47.8 Å²	47.8	33%	0.329	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-70.2	138.5	-177	-173.8	-106.2	0	0	0	110.8	E411 F412 E570 K573	Y409-E411 PolarHBondContact O-N 2.81Å; Y409-E411 VanDerWaalsContact O-N 3.11Å; Y409-F412 WeakPolarHBondContact O-CB 3.49Å; Y409-F412 PolarHBondContact O-N 3.46Å; Y409-E570 HydrophobicContact CE1-CB 4.37Å; Y409-K573 HydrophobicContact CD1-CD 4.06Å; Y409-K573 PolarHBondContact N-O 2.78Å
410	E	92.7	Very high	88.1	Confident	126 Å²	126	52.9 Å²	52.9	59%	0.589	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	53.9	24	-175.6	-66.6	171.9	157	0	0	114.4	F412 K573	E410-F412 PolarHBondContact O-N 2.82Å; E410-F412 VanDerWaalsContact O-N 3.15Å; E410-K573 IonicContact OE2-NZ 2.63Å; E410-K573 PolarHBondContact OE2-NZ 3.28Å
411	E	92	Very high	86.6	Confident	89 Å²	89	57.2 Å²	57.2	42%	0.416	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	56.3	31.9	-178.6	-57.9	167.2	150.1	0	0	111.8	Y409 L413	Y409-E411 PolarHBondContact O-N 2.81Å; Y409-E411 VanDerWaalsContact O-N 3.11Å; E411-L413 VanDerWaalsContact C-N 3.29Å; E411-L413 PolarHBondContact O-N 2.98Å
412	F	94.6	Very high	85.4	Confident	59 Å²	59	64.4 Å²	64.4	26%	0.259	34%	0.341	S	S	.	.			trans	-56.1	-38.2	-173.4	176.8	-103.7	0	0	0	114.3	Y409 E410 L500 P550 V552 K573	Y409-F412 WeakPolarHBondContact O-CB 3.49Å; Y409-F412 PolarHBondContact O-N 3.46Å; E410-F412 PolarHBondContact O-N 2.82Å; E410-F412 VanDerWaalsContact O-N 3.15Å; F412-L500 HydrophobicContact CE1-CD1 4.14Å; F412-L500 HydrophobicContact CZ-CD1 3.97Å; F412-P550 HydrophobicContact CD2-CB 4.46Å; F412-P550 HydrophobicContact CE1-CB 4.5Å; F412-P550 HydrophobicContact CE2-CB 3.71Å; F412-P550 HydrophobicContact CE2-CG 3.9Å; F412-P550 HydrophobicContact CZ-CB 3.75Å; F412-P550 HydrophobicContact CZ-CG 3.89Å; F412-V552 HydrophobicContact CD1-CG2 4.32Å; F412-V552 HydrophobicContact CE1-CG2 3.83Å; F412-K573 HydrophobicContact CB-CB 3.62Å; F412-K573 HydrophobicContact CB-CG 4.23Å; F412-K573 HydrophobicContact CD1-CB 3.49Å; F412-K573 VanDerWaalsContact CD1-CB 3.49Å; F412-K573 HydrophobicContact CD1-CG 4.24Å; F412-K573 HydrophobicContact CD2-CB 4.03Å; F412-K573 HydrophobicContact CD2-CG 3.94Å; F412-K573 HydrophobicContact CE1-CB 4.18Å; F412-K573 HydrophobicContact CE2-CG 4.39Å; F412-K573 HydrophobicContact CG-CB 3.42Å; F412-K573 VanDerWaalsContact CG-CB 3.42Å; F412-K573 HydrophobicContact CG-CG 3.87Å
413	L	94.8	Very high	84.4	Confident	2 Å²	2	69.5 Å²	69.5	1%	0.01	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-99.5	146	171.9	-64.5	179.4	0	0	0	111.4	N408 E411 I415 S574 F576 L593 Y688	N408-L413 PolarHBondContact ND2-O 3.3Å; N408-L413 PolarHBondContact OD1-N 2.82Å; E411-L413 VanDerWaalsContact C-N 3.29Å; E411-L413 PolarHBondContact O-N 2.98Å; L413-I415 HydrophobicContact CD2-CD1 4.29Å; L413-I415 HydrophobicContact CD2-CG1 3.5Å; L413-S574 WeakPolarHBondContact CD1-OG 3.4Å; L413-S574 WeakPolarHBondContact CG-OG 3.46Å; L413-F576 HydrophobicContact CD1-CE2 3.45Å; L413-F576 VanDerWaalsContact CD1-CE2 3.45Å; L413-F576 HydrophobicContact CD1-CZ 3.89Å; L413-L593 HydrophobicContact CD1-CD2 3.78Å; L413-L593 HydrophobicContact CD2-CD2 4.04Å; L413-Y688 HydrophobicContact CB-CD1 4.24Å; L413-Y688 HydrophobicContact CB-CE1 3.45Å; L413-Y688 VanDerWaalsContact CB-CE1 3.45Å; L413-Y688 HydrophobicContact CD1-CE1 4.45Å; L413-Y688 WeakPolarHBondContact O-CD1 3.43Å
414	P	91.9	Very high	84	Confident	40 Å²	40	75.2 Å²	75.2	26%	0.26	39%	0.386	S	S	.	.	S	Bend	cis	-75.8	155	5.3	31.9	-35.5	0	0	0	113.9	E416 L593 I594 Y688	P414-E416 PolarHBondContact O-N 2.89Å; P414-L593 CarbonylContact C-O 3.54Å; P414-L593 VanDerWaalsContact CA-O 3.3Å; P414-L593 WeakPolarHBondContact CA-O 3.44Å; P414-I594 VanDerWaalsContact CB-C 3.47Å; P414-I594 WeakPolarHBondContact CB-O 3.48Å; P414-Y688 HydrophobicContact CB-CD2 4.12Å; P414-Y688 HydrophobicContact CB-CE2 3.99Å; P414-Y688 HydrophobicContact CG-CD2 4.16Å
415	I	90	Very high	83.5	Confident	15 Å²	15	77.3 Å²	77.3	8%	0.077	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-62.2	120.5	175.2	-58.9	-178.2	0	0	0	108.7	L413 T417 P425 L426 L500 L593 I594	L413-I415 HydrophobicContact CD2-CD1 4.29Å; L413-I415 HydrophobicContact CD2-CG1 3.5Å; I415-T417 PolarHBondContact O-N 3.5Å; I415-P425 HydrophobicContact CG2-CB 4.1Å; I415-L426 HydrophobicContact CD1-CD1 3.83Å; I415-L426 HydrophobicContact CD1-CD2 4.34Å; I415-L426 HydrophobicContact CD1-CG 4.39Å; I415-L426 HydrophobicContact CG2-CD2 4.07Å; I415-L426 HydrophobicContact CG2-CG 4.39Å; I415-L500 HydrophobicContact CD1-CD2 4.11Å; I415-L593 HydrophobicContact CD1-CB 4.12Å; I415-L593 PolarHBondContact N-O 3.25Å; I415-I594 HydrophobicContact CB-CG2 4.48Å
416	E	81.9	Confident	83.2	Confident	181 Å²	181	78 Å²	78	85%	0.846	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-59.4	127.6	177.7	-66.8	-173	172.3	0	0	111	P414	P414-E416 PolarHBondContact O-N 2.89Å
417	T	73.2	Confident	83	Confident	74 Å²	74	85.8 Å²	85.8	45%	0.454	44%	0.437	S	S	.	.			trans	-104.8	140.2	175.9	55.8	0	0	0	0	109.9	I415 P425 I594	I415-T417 PolarHBondContact O-N 3.5Å; T417-P425 HydrophobicContact CG2-CB 4.15Å; T417-P425 HydrophobicContact CG2-CG 4.19Å; T417-I594 HydrophobicContact CG2-CB 4.38Å; T417-I594 HydrophobicContact CG2-CG2 4.5Å
418	K	66.9	Low	83	Confident	136 Å²	136	84.6 Å²	84.6	59%	0.591	43%	0.432	S	S	*	.			trans	-78.8	150.2	173.5	-69.5	-176.7	-169.5	168.6	0	110.3	D420 E423	K418-D420 PolarHBondContact O-N 2.91Å; K418-E423 IonicContact NZ-OE2 3.37Å; K418-E423 PolarHBondContact NZ-OE2 3.26Å
419	P	55.1	Low	83.1	Confident	138 Å²	138	83.3 Å²	83.3	90%	0.896	43%	0.425	S	S	*	.	S	Bend	trans	-64.3	-22.2	179.7	-21.5	32.1	0	0	0	115.2	A421	P419-A421 PolarHBondContact O-N 3.47Å; P419-A421 VanDerWaalsContact O-N 3.13Å
420	D	60.5	Low	83.2	Confident	107 Å²	107	79.3 Å²	79.3	57%	0.572	41%	0.41	S	S	*	.	S	Bend	trans	-77.6	100.5	179.5	-158.1	-7.4	0	0	0	109.3	K418 N422 E423	K418-D420 PolarHBondContact O-N 2.91Å; D420-N422 PolarHBondContact O-N 3.12Å; D420-E423 PolarHBondContact O-N 3.44Å; D420-E423 VanDerWaalsContact O-N 3.14Å
421	A	58.1	Low	83.5	Confident	94 Å²	94	73.3 Å²	73.3	78%	0.777	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-6.7	-164.8	0	0	0	0	0	115.4	P419	P419-A421 PolarHBondContact O-N 3.47Å; P419-A421 VanDerWaalsContact O-N 3.13Å
422	N	66.1	Low	83.8	Confident	153 Å²	153	69.1 Å²	69.1	82%	0.818	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-12.8	-179.3	-70	-17.5	0	0	0	114.1	D420	D420-N422 PolarHBondContact O-N 3.12Å
423	E	75.5	Confident	84	Confident	108 Å²	108	66.3 Å²	66.3	51%	0.505	35%	0.35	S	S	.	.	S	Bend	trans	-88.5	127.7	173.9	-71.7	-169.6	178.1	0	0	110.8	K418 D420	K418-E423 IonicContact NZ-OE2 3.37Å; K418-E423 PolarHBondContact NZ-OE2 3.26Å; D420-E423 PolarHBondContact O-N 3.44Å; D420-E423 VanDerWaalsContact O-N 3.14Å
424	R	86.3	Confident	84	Confident	120 Å²	120	66.3 Å²	66.3	45%	0.453	35%	0.35	S	S	.	.			trans	-68.1	135.9	169.2	-63.4	-176.7	-172.6	164.9	-4.6	109	L426 E463 S466 G467	R424-L426 PolarHBondContact O-N 3Å; R424-E463 WeakPolarHBondContact CD-O 2.92Å; R424-E463 PolarHBondContact NE-O 2.82Å; R424-E463 PolarHBondContact NH1-O 3Å; R424-E463 PolarHBondContact NH2-O 3.41Å; R424-S466 WeakPolarHBondContact CD-O 3.47Å; R424-S466 PolarHBondContact NH1-O 3.34Å; R424-G467 PolarHBondContact NH1-O 3.37Å
425	P	88.2	Confident	84.2	Confident	44 Å²	44	64.4 Å²	64.4	29%	0.286	34%	0.338	S	S	.	.	S	Bend	trans	-64.9	-27.6	-175	25	-35.4	0	0	0	113.6	I415 T417 I465	I415-P425 HydrophobicContact CG2-CB 4.1Å; T417-P425 HydrophobicContact CG2-CB 4.15Å; T417-P425 HydrophobicContact CG2-CG 4.19Å; P425-I465 WeakPolarHBondContact CD-O 3.36Å; P425-I465 HydrophobicContact CG-CB 4Å; P425-I465 HydrophobicContact CG-CG2 4.49Å; P425-I465 WeakPolarHBondContact CG-O 3.44Å
426	L	92.1	Very high	84.4	Confident	17 Å²	17	63.7 Å²	63.7	9%	0.089	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	147.9	177.4	-56.1	169.4	0	0	0	110.3	I415 R424 V429 I465 S466 G467 L500	I415-L426 HydrophobicContact CD1-CD1 3.83Å; I415-L426 HydrophobicContact CD1-CD2 4.34Å; I415-L426 HydrophobicContact CD1-CG 4.39Å; I415-L426 HydrophobicContact CG2-CD2 4.07Å; I415-L426 HydrophobicContact CG2-CG 4.39Å; R424-L426 PolarHBondContact O-N 3Å; L426-V429 HydrophobicContact CB-CG2 4.08Å; L426-V429 HydrophobicContact CD1-CG2 3.44Å; L426-V429 VanDerWaalsContact CD1-CG2 3.44Å; L426-V429 HydrophobicContact CG-CG2 4.37Å; L426-I465 WeakPolarHBondContact CB-O 3.46Å; L426-I465 HydrophobicContact CD1-CD1 4.2Å; L426-I465 HydrophobicContact CD1-CG1 4.47Å; L426-I465 PolarHBondContact N-O 3.09Å; L426-S466 CarbonylContact O-C 3.55Å; L426-S466 VanDerWaalsContact O-CA 3.31Å; L426-S466 WeakPolarHBondContact O-CA 3.27Å; L426-G467 PolarHBondContact O-N 2.72Å; L426-L500 HydrophobicContact CD1-CD2 3.69Å; L426-L500 HydrophobicContact CD2-CB 4.41Å; L426-L500 HydrophobicContact CD2-CD2 4.49Å
427	K	94	Very high	84.9	Confident	163 Å²	163	57.8 Å²	57.8	71%	0.709	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	-49	176.2	-62.6	177.6	-178.8	177.1	0	110.8	G467 N468 D499	K427-G467 CarbonylContact O-C 3.52Å; K427-G467 WeakPolarHBondContact O-CA 3.02Å; K427-G467 PolarHBondContact O-N 2.93Å; K427-N468 PolarHBondContact O-N 3.08Å; K427-D499 VanDerWaalsContact CB-OD2 3.32Å; K427-D499 WeakPolarHBondContact CB-OD2 3.37Å; K427-D499 PolarHBondContact N-OD1 2.92Å; K427-D499 PolarHBondContact N-OD2 3.17Å
428	H	97.5	Very high	85.6	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	111.4	-174.1	-172.9	-176.8	0	0	0	111.6	N468 T470 Q495 D497 I498 D499	H428-N468 WeakPolarHBondContact CA-O 3.1Å; H428-N468 HydrophobicContact CB-CB 4.23Å; H428-N468 PolarHBondContact CD2-ND2 3.01Å; H428-N468 PolarHBondContact CE1-ND2 3.2Å; H428-N468 VanDerWaalsContact CE1-ND2 3.32Å; H428-N468 PolarHBondContact NE2-ND2 2.96Å; H428-T470 PolarHBondContact CE1-OG1 2.9Å; H428-T470 PolarHBondContact NE2-OG1 3.01Å; H428-Q495 PolarHBondContact CE1-OE1 3.36Å; H428-Q495 VanDerWaalsContact CE1-OE1 3.27Å; H428-D497 IonicContact CE1-OD1 3.48Å; H428-D497 IonicContact CE1-OD2 3.35Å; H428-D497 IonicContact CG-OD2 3.36Å; H428-D497 IonicContact ND1-OD1 2.94Å; H428-D497 PolarHBondContact ND1-OD1 3.37Å; H428-D497 IonicContact ND1-OD2 3.24Å; H428-D497 PolarHBondContact ND1-OD2 2.87Å; H428-I498 WeakPolarHBondContact O-CA 3.25Å; H428-D499 PolarHBondContact N-OD1 2.83Å; H428-D499 PolarHBondContact O-N 2.83Å
429	V	98.2	Very high	86.5	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	132.1	175.8	176.7	0	0	0	0	110.3	L426 L462 S466 N468 V469 T470 L500 I502	L426-V429 HydrophobicContact CB-CG2 4.08Å; L426-V429 HydrophobicContact CD1-CG2 3.44Å; L426-V429 VanDerWaalsContact CD1-CG2 3.44Å; L426-V429 HydrophobicContact CG-CG2 4.37Å; V429-L462 HydrophobicContact CG1-CD1 4.24Å; V429-S466 WeakPolarHBondContact CG2-OG 3.24Å; V429-S466 PolarHBondContact N-OG 3.47Å; V429-N468 PolarHBondContact N-O 3.27Å; V429-V469 WeakPolarHBondContact O-CA 3.48Å; V429-T470 PolarHBondContact O-N 3.33Å; V429-L500 WeakPolarHBondContact CA-O 3.31Å; V429-L500 HydrophobicContact CG2-CB 4.24Å; V429-L500 HydrophobicContact CG2-CD2 4.26Å; V429-I502 HydrophobicContact CG1-CD1 3.92Å; V429-I502 HydrophobicContact CG1-CG1 4.03Å
430	A	98.4	Very high	88	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.5	162.4	0	0	0	0	0	109.6	T470 I492 L493 I498 L500 V501 I502	A430-T470 CarbonylContact C-O 3.55Å; A430-T470 WeakPolarHBondContact CA-O 3.44Å; A430-I492 HydrophobicContact CB-CG2 3.74Å; A430-L493 HydrophobicContact CB-CD2 4.32Å; A430-I498 HydrophobicContact CB-CD1 3.89Å; A430-I498 HydrophobicContact CB-CG1 4.4Å; A430-I498 HydrophobicContact CB-CG2 4.01Å; A430-L500 PolarHBondContact N-O 2.72Å; A430-V501 HydrophobicContact CB-CG2 4.36Å; A430-V501 CarbonylContact O-C 3.55Å; A430-V501 WeakPolarHBondContact O-CA 3.35Å; A430-I502 PolarHBondContact O-N 2.86Å
431	L	98.4	Very high	89.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	114.9	176.6	178.3	67.9	0	0	0	109.5	S436 L458 D459 L462 T470 A471 S472 I502 T504	L431-S436 VanDerWaalsContact CD2-O 3.24Å; L431-S436 WeakPolarHBondContact CD2-O 3.21Å; L431-L458 HydrophobicContact CD1-CD2 3.69Å; L431-L458 HydrophobicContact CD1-CG 4.2Å; L431-L458 HydrophobicContact CD2-CB 4.05Å; L431-L458 HydrophobicContact CD2-CD2 4.01Å; L431-L458 HydrophobicContact CD2-CG 3.78Å; L431-L458 HydrophobicContact CG-CD2 4.49Å; L431-D459 HydrophobicContact CD2-CB 3.99Å; L431-L462 HydrophobicContact CB-CD1 4.28Å; L431-L462 HydrophobicContact CD1-CD1 4.16Å; L431-L462 HydrophobicContact CD2-CD1 3.94Å; L431-L462 HydrophobicContact CG-CD1 4.34Å; L431-T470 PolarHBondContact N-O 2.9Å; L431-A471 HydrophobicContact CB-CB 4.06Å; L431-A471 HydrophobicContact CD2-CB 4.22Å; L431-A471 CarbonylContact O-C 3.53Å; L431-A471 VanDerWaalsContact O-CA 3.24Å; L431-A471 WeakPolarHBondContact O-CA 3.31Å; L431-S472 PolarHBondContact O-N 3.28Å; L431-I502 WeakPolarHBondContact CA-O 3.43Å; L431-I502 HydrophobicContact CD1-CB 3.73Å; L431-I502 HydrophobicContact CD1-CG2 3.56Å; L431-T504 HydrophobicContact CD1-CG2 3.98Å
432	L	98.4	Very high	90.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	138.3	-169.6	-56.5	173.2	0	0	0	111.5	S472 I474 I492 L493 V501 I502 I503 T504 F530 T534	L432-S472 WeakPolarHBondContact CA-O 3.14Å; L432-I474 HydrophobicContact CB-CG1 4.11Å; L432-I474 HydrophobicContact CD2-CD1 4.06Å; L432-I474 HydrophobicContact CD2-CG1 4.19Å; L432-I492 HydrophobicContact CD2-CB 4.41Å; L432-I492 HydrophobicContact CD2-CD1 3.55Å; L432-I492 HydrophobicContact CD2-CG2 4.19Å; L432-L493 HydrophobicContact CD1-CD1 4.29Å; L432-L493 HydrophobicContact CD1-CD2 4.24Å; L432-L493 HydrophobicContact CD1-CG 4.22Å; L432-V501 HydrophobicContact CD1-CG1 4.34Å; L432-I502 PolarHBondContact N-O 3.48Å; L432-I503 CarbonylContact O-C 3.59Å; L432-I503 WeakPolarHBondContact O-CA 3.3Å; L432-T504 PolarHBondContact O-N 2.97Å; L432-F530 HydrophobicContact CB-CE2 4.05Å; L432-F530 HydrophobicContact CB-CZ 4.04Å; L432-T534 HydrophobicContact CD1-CG2 3.74Å
433	G	97.9	Very high	91.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	118.9	172.3	170.8	0	0	0	0	0	113.7	F435 S436 S472 D473 T504 F530	G433-F435 PolarHBondContact O-N 2.91Å; G433-S436 PolarHBondContact N-OG 2.89Å; G433-S436 VanDerWaalsContact N-OG 3.14Å; G433-S436 VanDerWaalsContact O-CB 3.31Å; G433-S436 WeakPolarHBondContact O-CB 3.39Å; G433-S436 PolarHBondContact O-N 2.89Å; G433-S436 PolarHBondContact O-OG 3.36Å; G433-S472 PolarHBondContact N-O 2.79Å; G433-S472 VanDerWaalsContact N-O 3.11Å; G433-D473 CarbonylContact C-O 3.54Å; G433-D473 WeakPolarHBondContact CA-O 3.46Å; G433-D473 CarbonylContact O-C 3.59Å; G433-D473 VanDerWaalsContact O-CA 3.25Å; G433-D473 WeakPolarHBondContact O-CA 3.36Å; G433-T504 PolarHBondContact O-OG1 3.15Å; G433-F530 VanDerWaalsContact CA-CZ 3.47Å
434	P	96.2	Very high	91.3	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.013	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-13.8	-159.9	20.3	-36.4	0	0	0	116.8	D473 C475 G478 T504 Q527	P434-D473 VanDerWaalsContact CA-O 3.27Å; P434-D473 WeakPolarHBondContact CA-O 3.22Å; P434-D473 VanDerWaalsContact N-O 3.09Å; P434-C475 HydrophobicContact CB-CB 4.06Å; P434-G478 VanDerWaalsContact CB-C 3.41Å; P434-G478 VanDerWaalsContact CB-O 3.29Å; P434-G478 WeakPolarHBondContact CB-O 3.2Å; P434-T504 VanDerWaalsContact CD-O 3.31Å; P434-T504 WeakPolarHBondContact CD-O 3.41Å; P434-Q527 HydrophobicContact CG-CG 4.42Å
435	F	94.5	Very high	90.2	Very high	1 Å²	1	22.5 Å²	22.5	0%	0.004	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	24.7	-176.6	-47.1	-60.1	0	0	0	112.7	G433 N438 E441 L442 T504 F556	G433-F435 PolarHBondContact O-N 2.91Å; F435-N438 WeakPolarHBondContact CA-O 3.02Å; F435-E441 HydrophobicContact CE1-CB 3.99Å; F435-L442 HydrophobicContact CB-CD1 3.88Å; F435-L442 HydrophobicContact CD1-CD1 4.31Å; F435-L442 HydrophobicContact CD1-CD2 3.84Å; F435-L442 HydrophobicContact CD1-CG 4.02Å; F435-L442 HydrophobicContact CD2-CD2 4.2Å; F435-L442 HydrophobicContact CE1-CD2 3.89Å; F435-L442 HydrophobicContact CE1-CG 4.48Å; F435-L442 HydrophobicContact CE2-CD2 4.23Å; F435-L442 HydrophobicContact CG-CD1 4.02Å; F435-L442 HydrophobicContact CG-CD2 4Å; F435-L442 HydrophobicContact CG-CG 4.2Å; F435-L442 HydrophobicContact CZ-CD2 4.08Å; F435-T504 PolarHBondContact N-OG1 2.75Å; F435-T504 VanDerWaalsContact N-OG1 3.11Å; F435-F556 HydrophobicContact CB-CD2 4.36Å; F435-F556 HydrophobicContact CB-CE2 4.43Å; F435-F556 HydrophobicContact CD2-CB 3.97Å; F435-F556 AromaticContact CD2-CD2 3.62Å; F435-F556 HydrophobicContact CD2-CD2 3.62Å; F435-F556 HydrophobicContact CD2-CE2 4.44Å; F435-F556 HydrophobicContact CD2-CG 4.03Å; F435-F556 HydrophobicContact CE2-CB 3.94Å; F435-F556 HydrophobicContact CE2-CD2 4.37Å; F435-F556 HydrophobicContact CG-CD2 4.34Å
436	S	95.1	Very high	88.9	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-72.8	-48	-175.7	-65.2	0	0	0	0	112.5	L431 G433 D459 S472 D473	L431-S436 VanDerWaalsContact CD2-O 3.24Å; L431-S436 WeakPolarHBondContact CD2-O 3.21Å; G433-S436 PolarHBondContact N-OG 2.89Å; G433-S436 VanDerWaalsContact N-OG 3.14Å; G433-S436 VanDerWaalsContact O-CB 3.31Å; G433-S436 WeakPolarHBondContact O-CB 3.39Å; G433-S436 PolarHBondContact O-N 2.89Å; G433-S436 PolarHBondContact O-OG 3.36Å; S436-D459 PolarHBondContact O-N 2.93Å; S436-S472 WeakPolarHBondContact CB-O 3.42Å; S436-S472 PolarHBondContact OG-O 3.04Å; S436-D473 PolarHBondContact N-OD1 3.27Å
437	T	92.3	Very high	87.6	Confident	57 Å²	57	23 Å²	23	35%	0.35	12%	0.124	S	C	.	.	S	Bend	trans	-116.9	-21.5	-176.9	74.7	0	0	0	0	112.5	A471 D473	T437-A471 HydrophobicContact CG2-CB 3.83Å; T437-D473 WeakPolarHBondContact CA-OD1 3.44Å; T437-D473 WeakPolarHBondContact CB-OD1 3.16Å; T437-D473 PolarHBondContact N-OD1 3.17Å; T437-D473 PolarHBondContact OG1-OD1 2.82Å; T437-D473 PolarHBondContact OG1-OD2 2.79Å
438	N	88.8	Confident	85.8	Confident	79 Å²	79	22.7 Å²	22.7	42%	0.422	12%	0.123	S	C	.	.			trans	-119.2	121.9	177.7	-172.3	0.7	0	0	0	112.3	F435 S440	F435-N438 WeakPolarHBondContact CA-O 3.02Å; N438-S440 PolarHBondContact ND2-OG 1.99Å; N438-S440 VanDerWaalsContact OD1-CB 3.24Å; N438-S440 WeakPolarHBondContact OD1-CB 3.04Å; N438-S440 PolarHBondContact OD1-N 3.03Å; N438-S440 PolarHBondContact OD1-OG 3.01Å
439	I	85.5	Confident	83.9	Confident	7 Å²	7	29.3 Å²	29.3	4%	0.036	15%	0.153	C	C	.	.			trans	-109.8	12.2	178.6	71	166.4	0	0	0	113.2	E441 L442 T455 N582 L585	I439-E441 PolarHBondContact O-N 3.23Å; I439-L442 HydrophobicContact CB-CB 4.46Å; I439-L442 HydrophobicContact CB-CD1 4.25Å; I439-L442 HydrophobicContact CB-CG 4.48Å; I439-L442 HydrophobicContact CG2-CD1 4.33Å; I439-L442 WeakPolarHBondContact O-CB 2.93Å; I439-L442 PolarHBondContact O-N 3.14Å; I439-T455 HydrophobicContact CD1-CG2 3.33Å; I439-T455 HydrophobicContact CG1-CG2 3.77Å; I439-N582 WeakPolarHBondContact CD1-O 3.2Å; I439-L585 HydrophobicContact CG2-CD2 4.02Å
440	S	86	Confident	82.3	Confident	49 Å²	49	32.1 Å²	32.1	34%	0.343	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.8	-175.5	64.2	0	0	0	0	114	N438 V443	N438-S440 PolarHBondContact ND2-OG 1.99Å; N438-S440 VanDerWaalsContact OD1-CB 3.24Å; N438-S440 WeakPolarHBondContact OD1-CB 3.04Å; N438-S440 PolarHBondContact OD1-N 3.03Å; N438-S440 PolarHBondContact OD1-OG 3.01Å; S440-V443 WeakPolarHBondContact O-CG2 3.17Å
441	E	89.7	Confident	80.9	Confident	13 Å²	13	34.3 Å²	34.3	6%	0.061	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-12	176.8	-65	-169.7	-161.4	0	0	114.2	F435 I439 V443 G479 R509 N510	F435-E441 HydrophobicContact CE1-CB 3.99Å; I439-E441 PolarHBondContact O-N 3.23Å; E441-V443 VanDerWaalsContact C-N 3.28Å; E441-V443 PolarHBondContact O-N 2.84Å; E441-G479 PolarHBondContact OE1-N 3.11Å; E441-G479 PolarHBondContact OE2-N 3.24Å; E441-G479 VanDerWaalsContact OE2-N 3.16Å; E441-R509 HydrophobicContact CB-CG 4.25Å; E441-R509 HydrophobicContact CG-CG 4.44Å; E441-R509 PolarHBondContact O-N 2.89Å; E441-N510 PolarHBondContact OE1-ND2 2.99Å
442	L	88.4	Confident	79.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-94.9	22.5	-175.7	-53.8	-173.4	0	0	0	112.6	F435 I439 F556 Y580 N582 L585	F435-L442 HydrophobicContact CB-CD1 3.88Å; F435-L442 HydrophobicContact CD1-CD1 4.31Å; F435-L442 HydrophobicContact CD1-CD2 3.84Å; F435-L442 HydrophobicContact CD1-CG 4.02Å; F435-L442 HydrophobicContact CD2-CD2 4.2Å; F435-L442 HydrophobicContact CE1-CD2 3.89Å; F435-L442 HydrophobicContact CE1-CG 4.48Å; F435-L442 HydrophobicContact CE2-CD2 4.23Å; F435-L442 HydrophobicContact CG-CD1 4.02Å; F435-L442 HydrophobicContact CG-CD2 4Å; F435-L442 HydrophobicContact CG-CG 4.2Å; F435-L442 HydrophobicContact CZ-CD2 4.08Å; I439-L442 HydrophobicContact CB-CB 4.46Å; I439-L442 HydrophobicContact CB-CD1 4.25Å; I439-L442 HydrophobicContact CB-CG 4.48Å; I439-L442 HydrophobicContact CG2-CD1 4.33Å; I439-L442 WeakPolarHBondContact O-CB 2.93Å; I439-L442 PolarHBondContact O-N 3.14Å; L442-F556 HydrophobicContact CD1-CB 4.47Å; L442-F556 HydrophobicContact CD1-CD1 3.5Å; L442-F556 HydrophobicContact CD1-CD2 4.42Å; L442-F556 HydrophobicContact CD1-CE1 3.73Å; L442-F556 HydrophobicContact CD1-CG 3.88Å; L442-F556 HydrophobicContact CD1-CZ 4.28Å; L442-F556 HydrophobicContact CD2-CB 3.66Å; L442-F556 HydrophobicContact CD2-CD1 4.11Å; L442-F556 HydrophobicContact CD2-CG 4Å; L442-F556 HydrophobicContact CG-CD1 4.41Å; L442-Y580 HydrophobicContact CB-CD1 4.4Å; L442-Y580 HydrophobicContact CD2-CD1 3.88Å; L442-Y580 HydrophobicContact CD2-CE1 3.93Å; L442-N582 PolarHBondContact O-N 3.01Å; L442-L585 HydrophobicContact CD1-CD2 3.66Å
443	V	81.3	Confident	78	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.012	25%	0.25	C	S	.	.	S	Bend	trans	-109.4	156.6	178.2	-55.8	0	0	0	0	112.4	S440 E441 T447 I450 N582	S440-V443 WeakPolarHBondContact O-CG2 3.17Å; E441-V443 VanDerWaalsContact C-N 3.28Å; E441-V443 PolarHBondContact O-N 2.84Å; V443-T447 HydrophobicContact CB-CG2 4.46Å; V443-I450 HydrophobicContact CG1-CD1 3.78Å; V443-I450 HydrophobicContact CG1-CG1 4.11Å; V443-I450 HydrophobicContact CG2-CD1 4.36Å; V443-N582 VanDerWaalsContact CA-OD1 3.23Å; V443-N582 WeakPolarHBondContact CA-OD1 3.36Å; V443-N582 HydrophobicContact CG1-CB 4.2Å
444	G	71.1	Confident	76.7	Confident	19 Å²	19	48.9 Å²	48.9	20%	0.196	26%	0.263	C	S	.	.			trans	-59.4	154.9	176.4	0	0	0	0	0	114.4	Y446 T447 N582	G444-Y446 PolarHBondContact O-N 3.36Å; G444-Y446 VanDerWaalsContact O-N 3.11Å; G444-T447 PolarHBondContact O-N 3.12Å; G444-T447 VanDerWaalsContact O-N 3.15Å; G444-T447 PolarHBondContact O-OG1 2.92Å; G444-N582 PolarHBondContact N-OD1 3.38Å
445	S	62.3	Low	75.7	Confident	19 Å²	19	49.8 Å²	49.8	13%	0.133	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-33	-174	-49.2	0	0	0	0	113.9	K157 R509 D513	K157-S445 WeakPolarHBondContact CE-OG 3.3Å; K157-S445 PolarHBondContact NZ-OG 3.3Å; S445-R509 PolarHBondContact O-NH2 3.05Å; S445-D513 WeakPolarHBondContact CB-OD1 3.47Å; S445-D513 PolarHBondContact OG-OD1 3.14Å
446	Y	61	Low	75	Confident	51 Å²	51	52.3 Å²	52.3	20%	0.2	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	1.8	-174.5	-55.7	-68.8	0	0	0	114.4	N84 G444 K448 E514	N84-Y446 HydrophobicContact CB-CD1 4.47Å; N84-Y446 HydrophobicContact CB-CD2 4.42Å; N84-Y446 HydrophobicContact CB-CG 4.14Å; G444-Y446 PolarHBondContact O-N 3.36Å; G444-Y446 VanDerWaalsContact O-N 3.11Å; Y446-K448 PolarHBondContact O-N 3.5Å; Y446-E514 PolarHBondContact OH-OE2 3.47Å
447	T	65.5	Low	74.5	Confident	22 Å²	22	54.2 Å²	54.2	14%	0.135	30%	0.297	C	S	.	.			trans	-74	110.2	174.8	-51	0	0	0	0	109.1	V443 G444	V443-T447 HydrophobicContact CB-CG2 4.46Å; G444-T447 PolarHBondContact O-N 3.12Å; G444-T447 VanDerWaalsContact O-N 3.15Å; G444-T447 PolarHBondContact O-OG1 2.92Å
448	K	54.6	Low	74.5	Confident	156 Å²	156	51.5 Å²	51.5	68%	0.678	28%	0.28	S	S	*	.			trans	-96.3	-19	-179.6	-69.4	-172.4	178.4	-179.5	0	114.2	Y446	Y446-K448 PolarHBondContact O-N 3.5Å
449	H	59.2	Low	74.8	Confident	138 Å²	138	48.7 Å²	48.7	64%	0.639	27%	0.265	S	S	*	.			trans	-137.5	100.8	-173.9	-60.9	-60.2	0	0	0	109.7
450	I	64.7	Low	75.1	Confident	59 Å²	59	53.2 Å²	53.2	30%	0.303	28%	0.284	S	S	.	.			trans	-75.6	126.5	161.9	-62.2	174.8	0	0	0	106	V443 P452 T455 D583	V443-I450 HydrophobicContact CG1-CD1 3.78Å; V443-I450 HydrophobicContact CG1-CG1 4.11Å; V443-I450 HydrophobicContact CG2-CD1 4.36Å; I450-P452 VanDerWaalsContact O-CD 3.31Å; I450-P452 WeakPolarHBondContact O-CD 3.12Å; I450-T455 WeakPolarHBondContact CG2-OG1 3.11Å; I450-D583 WeakPolarHBondContact CG2-OD1 3.22Å
451	D	68.3	Low	75.3	Confident	47 Å²	47	50.9 Å²	50.9	25%	0.251	27%	0.268	S	S	.	.			trans	-85.8	110.7	172.6	-174.7	-12.9	0	0	0	108.4	K387 N453 D454 T455	K387-D451 IonicContact NZ-OD2 2.6Å; K387-D451 PolarHBondContact NZ-OD2 3.04Å; D451-N453 PolarHBondContact O-N 3.29Å; D451-N453 WeakPolarHBondContact OD1-CB 3.42Å; D451-N453 PolarHBondContact OD1-N 3.02Å; D451-N453 PolarHBondContact OD1-ND2 3.29Å; D451-D454 HydrophobicContact CB-CB 4.45Å; D451-D454 PolarHBondContact O-N 3.25Å; D451-T455 PolarHBondContact O-N 3.43Å; D451-T455 PolarHBondContact O-OG1 3.02Å
452	P	66	Low	75.6	Confident	107 Å²	107	50.2 Å²	50.2	70%	0.695	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.8	-178	-21.5	33.4	0	0	0	113.6	I450	I450-P452 VanDerWaalsContact O-CD 3.31Å; I450-P452 WeakPolarHBondContact O-CD 3.12Å
453	N	68.9	Low	75.8	Confident	147 Å²	147	53.9 Å²	53.9	79%	0.786	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-20.1	179.1	-64	-43.7	0	0	0	113.5	D451	D451-N453 PolarHBondContact O-N 3.29Å; D451-N453 WeakPolarHBondContact OD1-CB 3.42Å; D451-N453 PolarHBondContact OD1-N 3.02Å; D451-N453 PolarHBondContact OD1-ND2 3.29Å
454	D	71.3	Confident	76.2	Confident	51 Å²	51	59.2 Å²	59.2	27%	0.273	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-12.3	-179.5	-79.1	-23.2	0	0	0	113.2	K387 K392 D451	K387-D454 WeakPolarHBondContact CE-OD2 3.41Å; K387-D454 IonicContact NZ-OD2 3.24Å; K387-D454 PolarHBondContact NZ-OD2 2.79Å; K392-D454 IonicContact NZ-OD1 3.44Å; K392-D454 PolarHBondContact NZ-OD1 2.96Å; K392-D454 IonicContact NZ-OD2 3.77Å; D451-D454 HydrophobicContact CB-CB 4.45Å; D451-D454 PolarHBondContact O-N 3.25Å
455	T	75.5	Confident	77.1	Confident	21 Å²	21	58.7 Å²	58.7	13%	0.129	30%	0.298	C	S	.	.			trans	-89.7	118.4	175.3	-51.9	0	0	0	0	109.7	I439 I450 D451 P457 D583	I439-T455 HydrophobicContact CD1-CG2 3.33Å; I439-T455 HydrophobicContact CG1-CG2 3.77Å; I450-T455 WeakPolarHBondContact CG2-OG1 3.11Å; D451-T455 PolarHBondContact O-N 3.43Å; D451-T455 PolarHBondContact O-OG1 3.02Å; T455-P457 WeakPolarHBondContact O-CD 3.31Å; T455-D583 HydrophobicContact CG2-CB 4.45Å; T455-D583 VanDerWaalsContact OG1-CG 3.3Å; T455-D583 PolarHBondContact OG1-OD1 3.15Å
456	V	78.7	Confident	78.6	Confident	55 Å²	55	57.8 Å²	57.8	33%	0.333	29%	0.291	S	S	.	.			trans	-100.2	110.3	167.6	-175.5	0	0	0	0	108.1	K460 A461	V456-K460 HydrophobicContact CG1-CB 4Å; V456-A461 HydrophobicContact CG1-CB 3.99Å
457	P	84.9	Confident	80.2	Confident	40 Å²	40	57.6 Å²	57.6	26%	0.26	31%	0.305	S	S	.	.			trans	-54.1	153.7	172.2	-28.7	38.1	0	0	0	112.4	T455 D459 K460 A461	T455-P457 WeakPolarHBondContact O-CD 3.31Å; P457-D459 WeakPolarHBondContact CB-OD1 3.08Å; P457-D459 PolarHBondContact O-N 3.11Å; P457-K460 HydrophobicContact CB-CG 4.28Å; P457-K460 HydrophobicContact CG-CG 4.44Å; P457-K460 PolarHBondContact O-N 2.71Å; P457-A461 PolarHBondContact O-N 3.25Å
458	L	92	Very high	81.7	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64.6	-41	-173.4	178.4	59.1	0	0	0	112.1	L431 K460 A461 L462 T504 L554 I589	L431-L458 HydrophobicContact CD1-CD2 3.69Å; L431-L458 HydrophobicContact CD1-CG 4.2Å; L431-L458 HydrophobicContact CD2-CB 4.05Å; L431-L458 HydrophobicContact CD2-CD2 4.01Å; L431-L458 HydrophobicContact CD2-CG 3.78Å; L431-L458 HydrophobicContact CG-CD2 4.49Å; L458-K460 VanDerWaalsContact C-N 3.33Å; L458-K460 PolarHBondContact O-N 2.73Å; L458-A461 PolarHBondContact O-N 2.76Å; L458-L462 HydrophobicContact CD1-CD1 4.33Å; L458-L462 HydrophobicContact CD1-CG 4.26Å; L458-L462 HydrophobicContact CG-CD1 4.14Å; L458-L462 VanDerWaalsContact O-CG 3.27Å; L458-L462 WeakPolarHBondContact O-CG 3.41Å; L458-L462 PolarHBondContact O-N 2.56Å; L458-T504 HydrophobicContact CD2-CG2 3.86Å; L458-L554 HydrophobicContact CD2-CD1 3.8Å; L458-I589 HydrophobicContact CD1-CB 3.79Å; L458-I589 HydrophobicContact CD1-CG1 4Å; L458-I589 HydrophobicContact CD1-CG2 3.76Å
459	D	94.9	Very high	83.7	Confident	20 Å²	20	53.7 Å²	53.7	11%	0.107	29%	0.292	C	S	.	.	H	α-helix	trans	-55.8	-46.6	173.7	69.3	-53.2	0	0	0	111.8	L431 S436 P457 A461 L462 E463 V469 A471	L431-D459 HydrophobicContact CD2-CB 3.99Å; S436-D459 PolarHBondContact O-N 2.93Å; P457-D459 WeakPolarHBondContact CB-OD1 3.08Å; P457-D459 PolarHBondContact O-N 3.11Å; D459-A461 PolarHBondContact O-N 3.19Å; D459-L462 PolarHBondContact O-N 3.19Å; D459-E463 PolarHBondContact O-N 2.71Å; D459-V469 HydrophobicContact CB-CG1 4.2Å; D459-A471 HydrophobicContact CB-CB 3.51Å
460	K	92.6	Very high	85.6	Confident	101 Å²	101	48.5 Å²	48.5	44%	0.439	27%	0.27	S	S	.	.	H	α-helix	trans	-66.2	-37.2	178.8	-62.6	-46.5	-179.5	-154.6	0	113.1	V456 P457 L458 E463	V456-K460 HydrophobicContact CG1-CB 4Å; P457-K460 HydrophobicContact CB-CG 4.28Å; P457-K460 HydrophobicContact CG-CG 4.44Å; P457-K460 PolarHBondContact O-N 2.71Å; L458-K460 VanDerWaalsContact C-N 3.33Å; L458-K460 PolarHBondContact O-N 2.73Å; K460-E463 VanDerWaalsContact CD-OE1 3.27Å; K460-E463 WeakPolarHBondContact CD-OE1 3.12Å; K460-E463 IonicContact NZ-OE1 3.39Å; K460-E463 PolarHBondContact NZ-OE1 2.96Å
461	A	91.3	Very high	87.2	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.2	-41.6	175	0	0	0	0	0	111.2	V456 P457 L458 D459 E463 K464 G586 V590	V456-A461 HydrophobicContact CG1-CB 3.99Å; P457-A461 PolarHBondContact O-N 3.25Å; L458-A461 PolarHBondContact O-N 2.76Å; D459-A461 PolarHBondContact O-N 3.19Å; A461-E463 PolarHBondContact O-N 2.81Å; A461-K464 VanDerWaalsContact O-CB 3.25Å; A461-K464 WeakPolarHBondContact O-CB 3.35Å; A461-K464 WeakPolarHBondContact O-CG 3.09Å; A461-K464 PolarHBondContact O-N 3.29Å; A461-G586 VanDerWaalsContact CB-CA 3.47Å; A461-G586 VanDerWaalsContact CB-O 3.23Å; A461-G586 WeakPolarHBondContact CB-O 3.5Å; A461-V590 HydrophobicContact CB-CG2 3.68Å; A461-V590 VanDerWaalsContact O-CG2 3.27Å; A461-V590 WeakPolarHBondContact O-CG2 3.23Å
462	L	94.5	Very high	88.5	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-63.3	-24.6	-179.3	-71.9	168.2	0	0	0	113.5	V429 L431 L458 D459 K464 I465 S466 V469 I502 V590 L593	V429-L462 HydrophobicContact CG1-CD1 4.24Å; L431-L462 HydrophobicContact CB-CD1 4.28Å; L431-L462 HydrophobicContact CD1-CD1 4.16Å; L431-L462 HydrophobicContact CD2-CD1 3.94Å; L431-L462 HydrophobicContact CG-CD1 4.34Å; L458-L462 HydrophobicContact CD1-CD1 4.33Å; L458-L462 HydrophobicContact CD1-CG 4.26Å; L458-L462 HydrophobicContact CG-CD1 4.14Å; L458-L462 VanDerWaalsContact O-CG 3.27Å; L458-L462 WeakPolarHBondContact O-CG 3.41Å; L458-L462 PolarHBondContact O-N 2.56Å; D459-L462 PolarHBondContact O-N 3.19Å; L462-K464 PolarHBondContact O-N 2.91Å; L462-I465 HydrophobicContact CD2-CD1 3.98Å; L462-I465 HydrophobicContact CD2-CG1 4.3Å; L462-I465 WeakPolarHBondContact O-CG1 3.38Å; L462-I465 PolarHBondContact O-N 3.2Å; L462-S466 PolarHBondContact O-N 2.99Å; L462-V469 HydrophobicContact CB-CG1 4.38Å; L462-V469 HydrophobicContact CB-CG2 3.88Å; L462-I502 HydrophobicContact CD1-CD1 3.88Å; L462-I502 HydrophobicContact CD2-CD1 3.68Å; L462-I502 HydrophobicContact CG-CD1 4.46Å; L462-V590 HydrophobicContact CD2-CG2 4.22Å; L462-L593 HydrophobicContact CD2-CD1 4.16Å
463	E	93.6	Very high	90	Very high	76 Å²	76	43.3 Å²	43.3	36%	0.355	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-19.1	171.8	-64.9	177.9	-165	0	0	112.4	R424 D459 K460 A461 I465 V469	R424-E463 WeakPolarHBondContact CD-O 2.92Å; R424-E463 PolarHBondContact NE-O 2.82Å; R424-E463 PolarHBondContact NH1-O 3Å; R424-E463 PolarHBondContact NH2-O 3.41Å; D459-E463 PolarHBondContact O-N 2.71Å; K460-E463 VanDerWaalsContact CD-OE1 3.27Å; K460-E463 WeakPolarHBondContact CD-OE1 3.12Å; K460-E463 IonicContact NZ-OE1 3.39Å; K460-E463 PolarHBondContact NZ-OE1 2.96Å; A461-E463 PolarHBondContact O-N 2.81Å; E463-I465 VanDerWaalsContact C-N 3.33Å; E463-V469 HydrophobicContact CG-CB 4.41Å; E463-V469 HydrophobicContact CG-CG2 4.03Å
464	K	88.8	Confident	91.3	Very high	115 Å²	115	36.6 Å²	36.6	50%	0.5	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-26.4	174.1	-63.6	179	-179.6	-176.9	0	113.4	A461 L462 E587 V590	A461-K464 VanDerWaalsContact O-CB 3.25Å; A461-K464 WeakPolarHBondContact O-CB 3.35Å; A461-K464 WeakPolarHBondContact O-CG 3.09Å; A461-K464 PolarHBondContact O-N 3.29Å; L462-K464 PolarHBondContact O-N 2.91Å; K464-E587 IonicContact NZ-OE1 3.16Å; K464-E587 IonicContact NZ-OE2 3.95Å; K464-E587 PolarHBondContact NZ-OE2 3.14Å; K464-V590 HydrophobicContact CB-CG1 4.34Å
465	I	90.4	Very high	92.5	Very high	7 Å²	7	34.4 Å²	34.4	4%	0.036	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-5.6	-176	61.1	166.1	0	0	0	113.5	P425 L426 L462 E463 V590 L593 I594	P425-I465 WeakPolarHBondContact CD-O 3.36Å; P425-I465 HydrophobicContact CG-CB 4Å; P425-I465 HydrophobicContact CG-CG2 4.49Å; P425-I465 WeakPolarHBondContact CG-O 3.44Å; L426-I465 WeakPolarHBondContact CB-O 3.46Å; L426-I465 HydrophobicContact CD1-CD1 4.2Å; L426-I465 HydrophobicContact CD1-CG1 4.47Å; L426-I465 PolarHBondContact N-O 3.09Å; L462-I465 HydrophobicContact CD2-CD1 3.98Å; L462-I465 HydrophobicContact CD2-CG1 4.3Å; L462-I465 WeakPolarHBondContact O-CG1 3.38Å; L462-I465 PolarHBondContact O-N 3.2Å; E463-I465 VanDerWaalsContact C-N 3.33Å; I465-V590 HydrophobicContact CB-CG1 4.47Å; I465-V590 HydrophobicContact CD1-CG1 4.29Å; I465-V590 HydrophobicContact CG1-CG1 4.23Å; I465-V590 HydrophobicContact CG2-CG1 3.51Å; I465-L593 HydrophobicContact CD1-CD1 4.25Å; I465-I594 HydrophobicContact CB-CG2 4.29Å; I465-I594 HydrophobicContact CD1-CG2 4.17Å; I465-I594 HydrophobicContact CG2-CD1 4.12Å; I465-I594 HydrophobicContact CG2-CG2 3.67Å
466	S	94.1	Very high	93.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135.1	179.1	-172.2	0	0	0	0	113	R424 L426 V429 L462 N468	R424-S466 WeakPolarHBondContact CD-O 3.47Å; R424-S466 PolarHBondContact NH1-O 3.34Å; L426-S466 CarbonylContact O-C 3.55Å; L426-S466 VanDerWaalsContact O-CA 3.31Å; L426-S466 WeakPolarHBondContact O-CA 3.27Å; V429-S466 WeakPolarHBondContact CG2-OG 3.24Å; V429-S466 PolarHBondContact N-OG 3.47Å; L462-S466 PolarHBondContact O-N 2.99Å; S466-N468 VanDerWaalsContact C-N 3.26Å; S466-N468 WeakPolarHBondContact CB-O 3.22Å; S466-N468 PolarHBondContact O-N 2.7Å; S466-N468 PolarHBondContact OG-O 3.31Å
467	G	93.9	Very high	94.2	Very high	48 Å²	48	38.8 Å²	38.8	50%	0.495	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	-41	174.3	0	0	0	0	0	113.3	R424 L426 K427	R424-G467 PolarHBondContact NH1-O 3.37Å; L426-G467 PolarHBondContact O-N 2.72Å; K427-G467 CarbonylContact O-C 3.52Å; K427-G467 WeakPolarHBondContact O-CA 3.02Å; K427-G467 PolarHBondContact O-N 2.93Å
468	N	97.1	Very high	94.7	Very high	71 Å²	71	37.6 Å²	37.6	38%	0.38	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	147.2	177.6	-171	28.1	0	0	0	110.6	K427 H428 V429 S466	K427-N468 PolarHBondContact O-N 3.08Å; H428-N468 WeakPolarHBondContact CA-O 3.1Å; H428-N468 HydrophobicContact CB-CB 4.23Å; H428-N468 PolarHBondContact CD2-ND2 3.01Å; H428-N468 PolarHBondContact CE1-ND2 3.2Å; H428-N468 VanDerWaalsContact CE1-ND2 3.32Å; H428-N468 PolarHBondContact NE2-ND2 2.96Å; V429-N468 PolarHBondContact N-O 3.27Å; S466-N468 VanDerWaalsContact C-N 3.26Å; S466-N468 WeakPolarHBondContact CB-O 3.22Å; S466-N468 PolarHBondContact O-N 2.7Å; S466-N468 PolarHBondContact OG-O 3.31Å
469	V	98	Very high	94.9	Very high	25 Å²	25	37.6 Å²	37.6	15%	0.152	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	116.2	174.4	-178.6	0	0	0	0	108.1	V429 D459 L462 E463 A471	V429-V469 WeakPolarHBondContact O-CA 3.48Å; D459-V469 HydrophobicContact CB-CG1 4.2Å; L462-V469 HydrophobicContact CB-CG1 4.38Å; L462-V469 HydrophobicContact CB-CG2 3.88Å; E463-V469 HydrophobicContact CG-CB 4.41Å; E463-V469 HydrophobicContact CG-CG2 4.03Å; V469-A471 HydrophobicContact CG1-CB 4.48Å
470	T	98.2	Very high	94.9	Very high	29 Å²	29	41.3 Å²	41.3	18%	0.178	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	112.9	169.7	-59.6	0	0	0	0	108.2	H428 V429 A430 L431 I492	H428-T470 PolarHBondContact CE1-OG1 2.9Å; H428-T470 PolarHBondContact NE2-OG1 3.01Å; V429-T470 PolarHBondContact O-N 3.33Å; A430-T470 CarbonylContact C-O 3.55Å; A430-T470 WeakPolarHBondContact CA-O 3.44Å; L431-T470 PolarHBondContact N-O 2.9Å; T470-I492 HydrophobicContact CG2-CB 4.29Å; T470-I492 HydrophobicContact CG2-CD1 3.93Å; T470-I492 HydrophobicContact CG2-CG1 3.64Å; T470-I492 HydrophobicContact CG2-CG2 3.78Å
471	A	97.4	Very high	95.1	Very high	32 Å²	32	36.5 Å²	36.5	26%	0.264	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	141.8	-176.1	0	0	0	0	0	112.1	L431 T437 D459 V469	L431-A471 HydrophobicContact CB-CB 4.06Å; L431-A471 HydrophobicContact CD2-CB 4.22Å; L431-A471 CarbonylContact O-C 3.53Å; L431-A471 VanDerWaalsContact O-CA 3.24Å; L431-A471 WeakPolarHBondContact O-CA 3.31Å; T437-A471 HydrophobicContact CG2-CB 3.83Å; D459-A471 HydrophobicContact CB-CB 3.51Å; V469-A471 HydrophobicContact CG1-CB 4.48Å
472	S	97.3	Very high	95.4	Very high	30 Å²	30	40.2 Å²	40.2	21%	0.21	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	135.7	171	-178	0	0	0	0	110.6	L431 L432 G433 S436 I474	L431-S472 PolarHBondContact O-N 3.28Å; L432-S472 WeakPolarHBondContact CA-O 3.14Å; G433-S472 PolarHBondContact N-O 2.79Å; G433-S472 VanDerWaalsContact N-O 3.11Å; S436-S472 WeakPolarHBondContact CB-O 3.42Å; S436-S472 PolarHBondContact OG-O 3.04Å; S472-I474 PolarHBondContact O-N 3.17Å; S472-I474 PolarHBondContact OG-N 3.43Å
473	D	95.9	Very high	95.6	Very high	41 Å²	41	46 Å²	46	22%	0.219	26%	0.257	C	S	.	.			trans	-67.2	-19.3	175.4	-73	-16.3	0	0	0	112.2	G433 P434 S436 T437 C475	G433-D473 CarbonylContact C-O 3.54Å; G433-D473 WeakPolarHBondContact CA-O 3.46Å; G433-D473 CarbonylContact O-C 3.59Å; G433-D473 VanDerWaalsContact O-CA 3.25Å; G433-D473 WeakPolarHBondContact O-CA 3.36Å; P434-D473 VanDerWaalsContact CA-O 3.27Å; P434-D473 WeakPolarHBondContact CA-O 3.22Å; P434-D473 VanDerWaalsContact N-O 3.09Å; S436-D473 PolarHBondContact N-OD1 3.27Å; T437-D473 WeakPolarHBondContact CA-OD1 3.44Å; T437-D473 WeakPolarHBondContact CB-OD1 3.16Å; T437-D473 PolarHBondContact N-OD1 3.17Å; T437-D473 PolarHBondContact OG1-OD1 2.82Å; T437-D473 PolarHBondContact OG1-OD2 2.79Å; D473-C475 PolarHBondContact O-N 3.49Å
474	I	96.9	Very high	95.7	Very high	6 Å²	6	44.9 Å²	44.9	3%	0.031	25%	0.25	C	S	.	.			trans	60.6	-52.2	179.4	-61.7	-58.5	0	0	0	114.6	L432 S472 F484 D485 A488 I489 F530	L432-I474 HydrophobicContact CB-CG1 4.11Å; L432-I474 HydrophobicContact CD2-CD1 4.06Å; L432-I474 HydrophobicContact CD2-CG1 4.19Å; S472-I474 PolarHBondContact O-N 3.17Å; S472-I474 PolarHBondContact OG-N 3.43Å; I474-F484 HydrophobicContact CG2-CB 3.88Å; I474-F484 HydrophobicContact CG2-CD2 4.15Å; I474-F484 CarbonylContact O-C 3.44Å; I474-F484 VanDerWaalsContact O-CA 3.24Å; I474-F484 WeakPolarHBondContact O-CA 3.36Å; I474-D485 PolarHBondContact O-N 2.88Å; I474-A488 HydrophobicContact CD1-CB 4.03Å; I474-I489 HydrophobicContact CD1-CG1 3.61Å; I474-I489 HydrophobicContact CG1-CG1 4.31Å; I474-I489 HydrophobicContact CG2-CD1 4.13Å; I474-I489 HydrophobicContact CG2-CG1 4.25Å; I474-F530 HydrophobicContact CB-CD2 4.4Å; I474-F530 HydrophobicContact CB-CE2 4.25Å; I474-F530 HydrophobicContact CG1-CE2 4.02Å; I474-F530 HydrophobicContact CG2-CD2 3.58Å; I474-F530 HydrophobicContact CG2-CE2 3.9Å; I474-F530 HydrophobicContact CG2-CG 4.07Å
475	C	97.1	Very high	96	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.034	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-82.3	131.1	172.9	-60.5	0	0	0	0	110.5	P434 D473 D477 G478 C481 M483	P434-C475 HydrophobicContact CB-CB 4.06Å; D473-C475 PolarHBondContact O-N 3.49Å; C475-D477 VanDerWaalsContact C-N 3.3Å; C475-D477 PolarHBondContact O-N 3.06Å; C475-G478 WeakPolarHBondContact CB-O 3.29Å; C475-C481 HydrophobicContact CB-CB 3.64Å; C475-C481 WeakPolarHBondContact CB-SG 3.38Å; C475-C481 WeakPolarHBondContact SG-CB 3.27Å; C475-C481 CovalentContact SG-SG 2.04Å; C475-C481 PolarHBondContact SG-SG 2.82Å; C475-M483 WeakPolarHBondContact CA-O 3.49Å
476	I	94.3	Very high	96.1	Very high	121 Å²	121	45.3 Å²	45.3	62%	0.621	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-20.2	-174.7	63.2	167.8	0	0	0	114.2	M483	I476-M483 HydrophobicContact CD1-CB 3.83Å; I476-M483 HydrophobicContact CD1-CG 4.29Å; I476-M483 HydrophobicContact CD1-SD 4.32Å; I476-M483 HydrophobicContact CG1-CB 4.1Å; I476-M483 PolarHBondContact N-O 3.34Å
477	D	95.2	Very high	96	Very high	47 Å²	47	51.2 Å²	51.2	25%	0.251	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.7	34	-171.4	64.1	-17.5	0	0	0	112.3	C475 C481 T482	C475-D477 VanDerWaalsContact C-N 3.3Å; C475-D477 PolarHBondContact O-N 3.06Å; D477-C481 WeakPolarHBondContact OD1-CA 3.18Å; D477-C481 PolarHBondContact OD1-N 2.9Å; D477-T482 VanDerWaalsContact CG-OG1 3.24Å; D477-T482 PolarHBondContact OD1-N 3.4Å; D477-T482 PolarHBondContact OD1-OG1 3.03Å; D477-T482 WeakPolarHBondContact OD2-CB 3.31Å; D477-T482 WeakPolarHBondContact OD2-CG2 3.14Å; D477-T482 PolarHBondContact OD2-N 3.24Å; D477-T482 PolarHBondContact OD2-OG1 2.9Å
478	G	95.2	Very high	96.1	Very high	15 Å²	15	49.5 Å²	49.5	16%	0.155	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	66	-137.8	174.3	0	0	0	0	0	112.6	P434 C475 K480 C481	P434-G478 VanDerWaalsContact CB-C 3.41Å; P434-G478 VanDerWaalsContact CB-O 3.29Å; P434-G478 WeakPolarHBondContact CB-O 3.2Å; C475-G478 WeakPolarHBondContact CB-O 3.29Å; G478-K480 PolarHBondContact O-N 2.78Å; G478-K480 VanDerWaalsContact O-N 3.11Å; G478-C481 PolarHBondContact O-N 3.19Å; G478-C481 VanDerWaalsContact O-N 3.07Å
479	G	95.3	Very high	95.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-62.1	-21.5	-172.7	0	0	0	0	0	114.2	E441 T507 P524 Q527	E441-G479 PolarHBondContact OE1-N 3.11Å; E441-G479 PolarHBondContact OE2-N 3.24Å; E441-G479 VanDerWaalsContact OE2-N 3.16Å; G479-T507 WeakPolarHBondContact CA-O 3.43Å; G479-P524 WeakPolarHBondContact O-CB 3.13Å; G479-Q527 PolarHBondContact O-NE2 3.39Å
480	K	96.5	Very high	95.7	Very high	99 Å²	99	47.4 Å²	47.4	43%	0.43	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-67	-36.4	175	-76.2	-178.4	172.7	173.6	0	113	G478 T482 N510 V511 G525	G478-K480 PolarHBondContact O-N 2.78Å; G478-K480 VanDerWaalsContact O-N 3.11Å; K480-T482 PolarHBondContact O-N 3.05Å; K480-N510 HydrophobicContact CD-CB 4.43Å; K480-N510 WeakPolarHBondContact CE-O 3.35Å; K480-N510 HydrophobicContact CG-CB 4.29Å; K480-V511 HydrophobicContact CG-CG2 3.92Å; K480-G525 WeakPolarHBondContact O-CA 3.36Å; K480-G525 PolarHBondContact O-N 3.48Å
481	C	97.2	Very high	95.5	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.281	C	S	.	.			trans	44.2	54.7	-179.7	-157	0	0	0	0	114.3	C475 D477 G478 M483 G525 H526 Q527	C475-C481 HydrophobicContact CB-CB 3.64Å; C475-C481 WeakPolarHBondContact CB-SG 3.38Å; C475-C481 WeakPolarHBondContact SG-CB 3.27Å; C475-C481 CovalentContact SG-SG 2.04Å; C475-C481 PolarHBondContact SG-SG 2.82Å; D477-C481 WeakPolarHBondContact OD1-CA 3.18Å; D477-C481 PolarHBondContact OD1-N 2.9Å; G478-C481 PolarHBondContact O-N 3.19Å; G478-C481 VanDerWaalsContact O-N 3.07Å; C481-M483 PolarHBondContact O-N 3.36Å; C481-G525 WeakPolarHBondContact O-CA 3.34Å; C481-H526 PolarHBondContact O-N 3.07Å; C481-Q527 HydrophobicContact CB-CG 3.57Å
482	T	97.5	Very high	95.4	Very high	78 Å²	78	52.1 Å²	52.1	48%	0.479	27%	0.272	S	S	.	.	S	Bend	trans	-68.2	-23.6	179.4	54.5	0	0	0	0	113.3	D477 K480 H526	D477-T482 VanDerWaalsContact CG-OG1 3.24Å; D477-T482 PolarHBondContact OD1-N 3.4Å; D477-T482 PolarHBondContact OD1-OG1 3.03Å; D477-T482 WeakPolarHBondContact OD2-CB 3.31Å; D477-T482 WeakPolarHBondContact OD2-CG2 3.14Å; D477-T482 PolarHBondContact OD2-N 3.24Å; D477-T482 PolarHBondContact OD2-OG1 2.9Å; K480-T482 PolarHBondContact O-N 3.05Å; T482-H526 PolarHBondContact O-CD2 3.36Å; T482-H526 VanDerWaalsContact O-CD2 3.22Å
483	M	97.1	Very high	95.3	Very high	122 Å²	122	50.7 Å²	50.7	60%	0.601	26%	0.262	S	S	*	.	S	Bend	trans	-146.1	151.2	168.9	-65.3	-178.6	59.8	0	0	109	C475 I476 C481	C475-M483 WeakPolarHBondContact CA-O 3.49Å; I476-M483 HydrophobicContact CD1-CB 3.83Å; I476-M483 HydrophobicContact CD1-CG 4.29Å; I476-M483 HydrophobicContact CD1-SD 4.32Å; I476-M483 HydrophobicContact CG1-CB 4.1Å; I476-M483 PolarHBondContact N-O 3.34Å; C481-M483 PolarHBondContact O-N 3.36Å
484	F	96.5	Very high	95.2	Very high	51 Å²	51	52.3 Å²	52.3	22%	0.224	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-132.5	150.3	175.7	77.9	-79.1	0	0	0	112	I474 D486 I489 H526 E529 F530	I474-F484 HydrophobicContact CG2-CB 3.88Å; I474-F484 HydrophobicContact CG2-CD2 4.15Å; I474-F484 CarbonylContact O-C 3.44Å; I474-F484 VanDerWaalsContact O-CA 3.24Å; I474-F484 WeakPolarHBondContact O-CA 3.36Å; F484-D486 HydrophobicContact CD2-CB 4.34Å; F484-D486 HydrophobicContact CE2-CB 3.73Å; F484-D486 HydrophobicContact CZ-CB 4.35Å; F484-D486 PolarHBondContact O-N 3.27Å; F484-I489 HydrophobicContact CD2-CD1 3.96Å; F484-I489 HydrophobicContact CE2-CD1 3.97Å; F484-H526 HydrophobicContact CD1-CB 3.43Å; F484-H526 VanDerWaalsContact CD1-CB 3.43Å; F484-H526 HydrophobicContact CE1-CB 3.88Å; F484-H526 HydrophobicContact CG-CB 4.42Å; F484-E529 HydrophobicContact CE1-CB 4.09Å; F484-E529 HydrophobicContact CZ-CB 4.14Å; F484-F530 HydrophobicContact CD2-CB 4.13Å; F484-F530 HydrophobicContact CE2-CB 4.45Å; F484-F530 HydrophobicContact CG-CB 4.37Å
485	D	95.5	Very high	95	Very high	80 Å²	80	54.8 Å²	54.8	43%	0.428	29%	0.287	S	S	.	.			trans	-89.8	88.1	-179.2	-170	-12.8	0	0	0	111.4	I474 L487 A488 I489	I474-D485 PolarHBondContact O-N 2.88Å; D485-L487 VanDerWaalsContact C-N 3.26Å; D485-L487 PolarHBondContact O-N 2.78Å; D485-L487 WeakPolarHBondContact OD1-CB 3.43Å; D485-L487 PolarHBondContact OD1-N 3.13Å; D485-L487 VanDerWaalsContact OD1-N 3.13Å; D485-A488 HydrophobicContact CB-CB 3.99Å; D485-A488 VanDerWaalsContact CG-CB 3.5Å; D485-A488 PolarHBondContact O-N 3.16Å; D485-A488 PolarHBondContact OD1-N 3.1Å; D485-I489 PolarHBondContact O-N 3.5Å
486	D	91.7	Very high	94.7	Very high	51 Å²	51	60.6 Å²	60.6	27%	0.273	33%	0.325	S	S	.	.	H	α-helix	trans	-65.1	-27.9	177.1	-169.8	66.8	0	0	0	112.9	F484 I489 Q490 S533	F484-D486 HydrophobicContact CD2-CB 4.34Å; F484-D486 HydrophobicContact CE2-CB 3.73Å; F484-D486 HydrophobicContact CZ-CB 4.35Å; F484-D486 PolarHBondContact O-N 3.27Å; D486-I489 PolarHBondContact O-N 3.29Å; D486-Q490 WeakPolarHBondContact O-CG 3.22Å; D486-Q490 PolarHBondContact O-N 3.05Å; D486-Q490 VanDerWaalsContact O-N 3.13Å; D486-Q490 PolarHBondContact OD2-NE2 2.99Å; D486-S533 PolarHBondContact OD1-OG 2.99Å; D486-S533 VanDerWaalsContact OD1-OG 3.12Å
487	L	92.8	Very high	94.6	Very high	124 Å²	124	58.7 Å²	58.7	65%	0.649	32%	0.316	S	S	*	.	H	α-helix	trans	-68.2	-40	177.2	-68.3	177.1	0	0	0	111.1	D485 I489 Q490 E491	D485-L487 VanDerWaalsContact C-N 3.26Å; D485-L487 PolarHBondContact O-N 2.78Å; D485-L487 WeakPolarHBondContact OD1-CB 3.43Å; D485-L487 PolarHBondContact OD1-N 3.13Å; D485-L487 VanDerWaalsContact OD1-N 3.13Å; L487-I489 VanDerWaalsContact C-N 3.31Å; L487-I489 PolarHBondContact O-N 2.95Å; L487-Q490 PolarHBondContact O-N 3.09Å; L487-E491 WeakPolarHBondContact O-CB 3.11Å; L487-E491 PolarHBondContact O-N 2.86Å
488	A	94.9	Very high	94.7	Very high	12 Å²	12	56.8 Å²	56.8	10%	0.099	31%	0.306	C	S	.	.	H	α-helix	trans	-60.5	-40.1	174.2	0	0	0	0	0	111.9	I474 D485 Q490 E491 I492	I474-A488 HydrophobicContact CD1-CB 4.03Å; D485-A488 HydrophobicContact CB-CB 3.99Å; D485-A488 VanDerWaalsContact CG-CB 3.5Å; D485-A488 PolarHBondContact O-N 3.16Å; D485-A488 PolarHBondContact OD1-N 3.1Å; A488-Q490 VanDerWaalsContact C-N 3.34Å; A488-Q490 PolarHBondContact O-N 2.81Å; A488-E491 PolarHBondContact O-N 2.84Å; A488-I492 WeakPolarHBondContact O-CB 3.22Å; A488-I492 WeakPolarHBondContact O-CD1 3.41Å; A488-I492 WeakPolarHBondContact O-CG1 3.45Å; A488-I492 PolarHBondContact O-N 3.28Å
489	I	94	Very high	94.7	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-60	-47.9	175.5	-54.8	171	0	0	0	110	I474 F484 D485 D486 L487 L493 F530 M537	I474-I489 HydrophobicContact CD1-CG1 3.61Å; I474-I489 HydrophobicContact CG1-CG1 4.31Å; I474-I489 HydrophobicContact CG2-CD1 4.13Å; I474-I489 HydrophobicContact CG2-CG1 4.25Å; F484-I489 HydrophobicContact CD2-CD1 3.96Å; F484-I489 HydrophobicContact CE2-CD1 3.97Å; D485-I489 PolarHBondContact O-N 3.5Å; D486-I489 PolarHBondContact O-N 3.29Å; L487-I489 VanDerWaalsContact C-N 3.31Å; L487-I489 PolarHBondContact O-N 2.95Å; I489-L493 HydrophobicContact CG2-CD1 3.76Å; I489-L493 HydrophobicContact CG2-CG 4.42Å; I489-L493 WeakPolarHBondContact O-CB 3.39Å; I489-L493 WeakPolarHBondContact O-CG 3.06Å; I489-L493 PolarHBondContact O-N 3.36Å; I489-F530 HydrophobicContact CD1-CD2 3.67Å; I489-F530 HydrophobicContact CD1-CE2 4.28Å; I489-F530 HydrophobicContact CG1-CD2 4.45Å; I489-M537 HydrophobicContact CB-SD 4.49Å; I489-M537 HydrophobicContact CG2-CE 4.49Å; I489-M537 HydrophobicContact CG2-SD 3.71Å
490	Q	93.3	Very high	94.9	Very high	53 Å²	53	58.5 Å²	58.5	25%	0.248	31%	0.312	C	S	.	.	H	α-helix	trans	-63.3	-46.5	-179.9	-68.3	178.4	35.1	0	0	112.1	D486 L487 A488 S494 M537	D486-Q490 WeakPolarHBondContact O-CG 3.22Å; D486-Q490 PolarHBondContact O-N 3.05Å; D486-Q490 VanDerWaalsContact O-N 3.13Å; D486-Q490 PolarHBondContact OD2-NE2 2.99Å; L487-Q490 PolarHBondContact O-N 3.09Å; A488-Q490 VanDerWaalsContact C-N 3.34Å; A488-Q490 PolarHBondContact O-N 2.81Å; Q490-S494 WeakPolarHBondContact O-CB 3.16Å; Q490-S494 PolarHBondContact O-N 2.9Å; Q490-S494 PolarHBondContact O-OG 3.19Å; Q490-M537 HydrophobicContact CG-CE 3.47Å; Q490-M537 VanDerWaalsContact CG-CE 3.47Å; Q490-M537 HydrophobicContact CG-SD 3.87Å
491	E	94.2	Very high	94.9	Very high	147 Å²	147	53.8 Å²	53.8	69%	0.687	29%	0.291	S	S	*	.	H	α-helix	trans	-61.5	-47.5	179.2	-177.6	175.3	-177.3	0	0	110.9	L487 A488 S494	L487-E491 WeakPolarHBondContact O-CB 3.11Å; L487-E491 PolarHBondContact O-N 2.86Å; A488-E491 PolarHBondContact O-N 2.84Å; E491-S494 PolarHBondContact O-N 3.4Å
492	I	95.7	Very high	95	Very high	13 Å²	13	53.8 Å²	53.8	7%	0.067	29%	0.291	C	S	.	.	H	α-helix	trans	-64.6	-53.4	-179.8	-63.7	169.6	0	0	0	109.9	A430 L432 T470 A488 S494 Q495 I498	A430-I492 HydrophobicContact CB-CG2 3.74Å; L432-I492 HydrophobicContact CD2-CB 4.41Å; L432-I492 HydrophobicContact CD2-CD1 3.55Å; L432-I492 HydrophobicContact CD2-CG2 4.19Å; T470-I492 HydrophobicContact CG2-CB 4.29Å; T470-I492 HydrophobicContact CG2-CD1 3.93Å; T470-I492 HydrophobicContact CG2-CG1 3.64Å; T470-I492 HydrophobicContact CG2-CG2 3.78Å; A488-I492 WeakPolarHBondContact O-CB 3.22Å; A488-I492 WeakPolarHBondContact O-CD1 3.41Å; A488-I492 WeakPolarHBondContact O-CG1 3.45Å; A488-I492 PolarHBondContact O-N 3.28Å; I492-S494 PolarHBondContact O-N 3.03Å; I492-Q495 VanDerWaalsContact O-CB 3.31Å; I492-Q495 WeakPolarHBondContact O-CB 3.3Å; I492-Q495 WeakPolarHBondContact O-CG 3.35Å; I492-Q495 PolarHBondContact O-N 2.88Å; I492-I498 HydrophobicContact CG2-CD1 4.09Å; I492-I498 WeakPolarHBondContact O-CD1 3.3Å
493	L	94.8	Very high	95.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-75.7	-1.9	-177.5	-62	178.6	0	0	0	114.1	A430 L432 I489 Q495 I498 V501 T534 M537 I544 R546	A430-L493 HydrophobicContact CB-CD2 4.32Å; L432-L493 HydrophobicContact CD1-CD1 4.29Å; L432-L493 HydrophobicContact CD1-CD2 4.24Å; L432-L493 HydrophobicContact CD1-CG 4.22Å; I489-L493 HydrophobicContact CG2-CD1 3.76Å; I489-L493 HydrophobicContact CG2-CG 4.42Å; I489-L493 WeakPolarHBondContact O-CB 3.39Å; I489-L493 WeakPolarHBondContact O-CG 3.06Å; I489-L493 PolarHBondContact O-N 3.36Å; L493-Q495 VanDerWaalsContact C-N 3.32Å; L493-I498 HydrophobicContact CD2-CD1 4.36Å; L493-V501 HydrophobicContact CD2-CG2 3.63Å; L493-T534 HydrophobicContact CD1-CG2 4.1Å; L493-M537 HydrophobicContact CB-CB 4.36Å; L493-M537 HydrophobicContact CD1-CB 3.53Å; L493-M537 HydrophobicContact CD1-SD 4.42Å; L493-I544 HydrophobicContact CB-CD1 4.13Å; L493-R546 PolarHBondContact O-NH1 2.89Å
494	S	92.8	Very high	95.1	Very high	74 Å²	74	44.3 Å²	44.3	52%	0.517	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-13.7	166.5	-67.2	0	0	0	0	112.8	Q490 E491 I492	Q490-S494 WeakPolarHBondContact O-CB 3.16Å; Q490-S494 PolarHBondContact O-N 2.9Å; Q490-S494 PolarHBondContact O-OG 3.19Å; E491-S494 PolarHBondContact O-N 3.4Å; I492-S494 PolarHBondContact O-N 3.03Å
495	Q	93.7	Very high	95.2	Very high	59 Å²	59	41.9 Å²	41.9	28%	0.276	23%	0.229	S	C	.	.			trans	-68.7	120.9	177.4	-61.9	-177.3	65.9	0	0	110.2	H428 I492 L493 D497 I498 R546	H428-Q495 PolarHBondContact CE1-OE1 3.36Å; H428-Q495 VanDerWaalsContact CE1-OE1 3.27Å; I492-Q495 VanDerWaalsContact O-CB 3.31Å; I492-Q495 WeakPolarHBondContact O-CB 3.3Å; I492-Q495 WeakPolarHBondContact O-CG 3.35Å; I492-Q495 PolarHBondContact O-N 2.88Å; L493-Q495 VanDerWaalsContact C-N 3.32Å; Q495-D497 VanDerWaalsContact C-N 3.26Å; Q495-D497 PolarHBondContact O-N 3.18Å; Q495-I498 HydrophobicContact CB-CD1 3.93Å; Q495-I498 HydrophobicContact CB-CG1 4.17Å; Q495-R546 PolarHBondContact O-NH1 3.46Å
496	P	89.7	Confident	95.3	Very high	127 Å²	127	38 Å²	38	83%	0.825	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-13.2	-167.4	30.6	-36.8	0	0	0	114
497	D	94	Very high	95.4	Very high	80 Å²	80	35.6 Å²	35.6	43%	0.428	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-6.9	-173	66.2	-39	0	0	0	114	H428 Q495 D499	H428-D497 IonicContact CE1-OD1 3.48Å; H428-D497 IonicContact CE1-OD2 3.35Å; H428-D497 IonicContact CG-OD2 3.36Å; H428-D497 IonicContact ND1-OD1 2.94Å; H428-D497 PolarHBondContact ND1-OD1 3.37Å; H428-D497 IonicContact ND1-OD2 3.24Å; H428-D497 PolarHBondContact ND1-OD2 2.87Å; Q495-D497 VanDerWaalsContact C-N 3.26Å; Q495-D497 PolarHBondContact O-N 3.18Å; D497-D499 PolarHBondContact O-N 3.39Å
498	I	96.5	Very high	95.4	Very high	8 Å²	8	29.7 Å²	29.7	4%	0.041	17%	0.165	C	C	.	.			trans	-60	123.6	175.4	-64	165.2	0	0	0	110.1	H428 A430 I492 L493 Q495 L500 V501 R546 V549	H428-I498 WeakPolarHBondContact O-CA 3.25Å; A430-I498 HydrophobicContact CB-CD1 3.89Å; A430-I498 HydrophobicContact CB-CG1 4.4Å; A430-I498 HydrophobicContact CB-CG2 4.01Å; I492-I498 HydrophobicContact CG2-CD1 4.09Å; I492-I498 WeakPolarHBondContact O-CD1 3.3Å; L493-I498 HydrophobicContact CD2-CD1 4.36Å; Q495-I498 HydrophobicContact CB-CD1 3.93Å; Q495-I498 HydrophobicContact CB-CG1 4.17Å; I498-L500 WeakPolarHBondContact CG2-O 3.35Å; I498-V501 HydrophobicContact CG2-CG2 4.17Å; I498-R546 PolarHBondContact O-NH2 3.41Å; I498-V549 HydrophobicContact CG2-CG1 4.15Å
499	D	95.7	Very high	95.1	Very high	50 Å²	50	31.9 Å²	31.9	27%	0.267	17%	0.17	S	C	.	.			trans	-111.5	-10.5	179.3	58.4	1.9	0	0	0	114.4	K427 H428 D497 P550	K427-D499 VanDerWaalsContact CB-OD2 3.32Å; K427-D499 WeakPolarHBondContact CB-OD2 3.37Å; K427-D499 PolarHBondContact N-OD1 2.92Å; K427-D499 PolarHBondContact N-OD2 3.17Å; H428-D499 PolarHBondContact N-OD1 2.83Å; H428-D499 PolarHBondContact O-N 2.83Å; D497-D499 PolarHBondContact O-N 3.39Å; D499-P550 WeakPolarHBondContact O-CD 2.92Å; D499-P550 WeakPolarHBondContact O-CG 3.4Å
500	L	97.9	Very high	95	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	138.4	170.8	176	68.1	0	0	0	111.4	F412 I415 L426 V429 A430 I498 I502 P550 V552	F412-L500 HydrophobicContact CE1-CD1 4.14Å; F412-L500 HydrophobicContact CZ-CD1 3.97Å; I415-L500 HydrophobicContact CD1-CD2 4.11Å; L426-L500 HydrophobicContact CD1-CD2 3.69Å; L426-L500 HydrophobicContact CD2-CB 4.41Å; L426-L500 HydrophobicContact CD2-CD2 4.49Å; V429-L500 WeakPolarHBondContact CA-O 3.31Å; V429-L500 HydrophobicContact CG2-CB 4.24Å; V429-L500 HydrophobicContact CG2-CD2 4.26Å; A430-L500 PolarHBondContact N-O 2.72Å; I498-L500 WeakPolarHBondContact CG2-O 3.35Å; L500-I502 HydrophobicContact CD2-CD1 4.03Å; L500-I502 HydrophobicContact CD2-CG1 3.94Å; L500-I502 HydrophobicContact CG-CG1 4.1Å; L500-P550 HydrophobicContact CD1-CB 4.42Å; L500-P550 HydrophobicContact CD1-CG 4.2Å; L500-V552 HydrophobicContact CD1-CG2 4Å
501	V	98.5	Very high	95.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.6	168.7	179.2	0	0	0	0	109	A430 L432 L493 I498 I503 T534 A538 V549 P550 V551 V552	A430-V501 HydrophobicContact CB-CG2 4.36Å; A430-V501 CarbonylContact O-C 3.55Å; A430-V501 WeakPolarHBondContact O-CA 3.35Å; L432-V501 HydrophobicContact CD1-CG1 4.34Å; L493-V501 HydrophobicContact CD2-CG2 3.63Å; I498-V501 HydrophobicContact CG2-CG2 4.17Å; V501-I503 HydrophobicContact CG1-CG1 3.96Å; V501-T534 HydrophobicContact CG1-CG2 4.24Å; V501-A538 HydrophobicContact CG2-CB 4.14Å; V501-V549 HydrophobicContact CG2-CB 4.31Å; V501-V549 HydrophobicContact CG2-CG1 3.93Å; V501-P550 PolarHBondContact N-O 3.1Å; V501-V551 HydrophobicContact CB-CG2 4.11Å; V501-V551 HydrophobicContact CG1-CG2 4.43Å; V501-V551 CarbonylContact O-C 3.59Å; V501-V551 VanDerWaalsContact O-CA 3.29Å; V501-V551 WeakPolarHBondContact O-CA 3.42Å; V501-V552 PolarHBondContact O-N 3.25Å
502	I	98.6	Very high	95	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.1	171	-58.4	-179.9	0	0	0	107.9	V429 A430 L431 L432 L462 L500 V552 L554 L593	V429-I502 HydrophobicContact CG1-CD1 3.92Å; V429-I502 HydrophobicContact CG1-CG1 4.03Å; A430-I502 PolarHBondContact O-N 2.86Å; L431-I502 WeakPolarHBondContact CA-O 3.43Å; L431-I502 HydrophobicContact CD1-CB 3.73Å; L431-I502 HydrophobicContact CD1-CG2 3.56Å; L432-I502 PolarHBondContact N-O 3.48Å; L462-I502 HydrophobicContact CD1-CD1 3.88Å; L462-I502 HydrophobicContact CD2-CD1 3.68Å; L462-I502 HydrophobicContact CG-CD1 4.46Å; L500-I502 HydrophobicContact CD2-CD1 4.03Å; L500-I502 HydrophobicContact CD2-CG1 3.94Å; L500-I502 HydrophobicContact CG-CG1 4.1Å; I502-V552 CarbonylContact C-O 3.55Å; I502-V552 WeakPolarHBondContact CA-O 3.48Å; I502-V552 HydrophobicContact CG1-CB 4.42Å; I502-L554 HydrophobicContact CG2-CD1 3.77Å; I502-L554 HydrophobicContact CG2-CG 4.01Å; I502-L593 HydrophobicContact CD1-CD1 3.94Å
503	I	98.7	Very high	94.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.9	178.2	-57.4	-180	0	0	0	108.4	L432 V501 I505 F530 L531 T534 L535 V551 V552 L553 L554	L432-I503 CarbonylContact O-C 3.59Å; L432-I503 WeakPolarHBondContact O-CA 3.3Å; V501-I503 HydrophobicContact CG1-CG1 3.96Å; I503-I505 HydrophobicContact CG2-CG2 3.94Å; I503-F530 HydrophobicContact CG2-CE1 3.82Å; I503-F530 HydrophobicContact CG2-CZ 3.75Å; I503-L531 HydrophobicContact CD1-CD1 4.09Å; I503-L531 HydrophobicContact CG2-CD1 4.16Å; I503-T534 HydrophobicContact CD1-CG2 3.52Å; I503-T534 HydrophobicContact CG1-CG2 3.94Å; I503-L535 HydrophobicContact CD1-CD2 3.98Å; I503-V551 HydrophobicContact CD1-CG1 3.67Å; I503-V551 HydrophobicContact CG1-CG1 3.95Å; I503-V552 PolarHBondContact N-O 3.19Å; I503-L553 HydrophobicContact CB-CD1 3.68Å; I503-L553 HydrophobicContact CG2-CD1 3.65Å; I503-L554 PolarHBondContact O-N 3.14Å
504	T	98	Very high	94.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132.3	168.3	69.9	0	0	0	0	109.3	L431 L432 G433 P434 F435 L458 L554 F556	L431-T504 HydrophobicContact CD1-CG2 3.98Å; L432-T504 PolarHBondContact O-N 2.97Å; G433-T504 PolarHBondContact O-OG1 3.15Å; P434-T504 VanDerWaalsContact CD-O 3.31Å; P434-T504 WeakPolarHBondContact CD-O 3.41Å; F435-T504 PolarHBondContact N-OG1 2.75Å; F435-T504 VanDerWaalsContact N-OG1 3.11Å; L458-T504 HydrophobicContact CD2-CG2 3.86Å; T504-L554 WeakPolarHBondContact CA-O 3.44Å; T504-L554 HydrophobicContact CG2-CD1 4.49Å; T504-F556 HydrophobicContact CG2-CE2 3.99Å
505	I	98	Very high	94.8	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	163.5	174.5	56.2	171.7	0	0	0	110.2	I503 L523 F530 L531 L553 L554 V555 F556 I563	I503-I505 HydrophobicContact CG2-CG2 3.94Å; I505-L523 HydrophobicContact CB-CD2 3.94Å; I505-L523 HydrophobicContact CD1-CD1 4.17Å; I505-L523 HydrophobicContact CD1-CD2 3.91Å; I505-L523 HydrophobicContact CG1-CD2 4.31Å; I505-F530 HydrophobicContact CG2-CD1 4.38Å; I505-F530 HydrophobicContact CG2-CE1 3.98Å; I505-L531 HydrophobicContact CD1-CD2 4.3Å; I505-L553 HydrophobicContact CD1-CD1 3.71Å; I505-L553 HydrophobicContact CD1-CD2 3.79Å; I505-L553 HydrophobicContact CD1-CG 4.03Å; I505-L553 HydrophobicContact CG1-CD1 3.79Å; I505-L553 HydrophobicContact CG1-CG 4.24Å; I505-L553 HydrophobicContact CG2-CD1 4.45Å; I505-L554 PolarHBondContact N-O 3.35Å; I505-V555 HydrophobicContact CD1-CG2 4.22Å; I505-V555 HydrophobicContact CG1-CG2 4.16Å; I505-V555 WeakPolarHBondContact O-CA 3.46Å; I505-F556 PolarHBondContact O-N 3Å; I505-I563 HydrophobicContact CD1-CG2 3.62Å
506	G	96.8	Very high	94.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.9	-160.5	173.3	0	0	0	0	0	114	P524 Q527 F556	G506-P524 WeakPolarHBondContact O-CD 3.13Å; G506-Q527 PolarHBondContact O-NE2 3.43Å; G506-Q527 PolarHBondContact O-OE1 3.34Å; G506-F556 CarbonylContact C-O 3.5Å; G506-F556 WeakPolarHBondContact CA-O 3.19Å
507	T	95	Very high	95.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.			trans	-97.1	-56.1	-173.1	43.3	0	0	0	0	111.2	G479 V511 E512 P524 F556 S557 I561 Y580	G479-T507 WeakPolarHBondContact CA-O 3.43Å; T507-V511 HydrophobicContact CG2-CG1 4.02Å; T507-V511 VanDerWaalsContact O-CB 3.3Å; T507-V511 WeakPolarHBondContact O-CB 3.4Å; T507-V511 WeakPolarHBondContact O-CG2 3.45Å; T507-E512 WeakPolarHBondContact CB-OE1 3.43Å; T507-E512 HydrophobicContact CG2-CG 4.44Å; T507-E512 VanDerWaalsContact OG1-CD 3.25Å; T507-E512 PolarHBondContact OG1-OE1 3.46Å; T507-P524 HydrophobicContact CG2-CG 4.33Å; T507-F556 PolarHBondContact N-O 2.88Å; T507-F556 PolarHBondContact OG1-O 2.83Å; T507-S557 WeakPolarHBondContact OG1-CA 3.47Å; T507-I561 HydrophobicContact CG2-CD1 4.01Å; T507-Y580 PolarHBondContact OG1-OH 3.03Å
508	G	92.1	Very high	95.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.			trans	67.4	166.5	-169.1	0	0	0	0	0	112.3	N510 V511 E512 Y580	G508-N510 PolarHBondContact O-N 3.11Å; G508-N510 VanDerWaalsContact O-N 3.14Å; G508-V511 PolarHBondContact O-N 2.88Å; G508-V511 VanDerWaalsContact O-N 3.16Å; G508-E512 PolarHBondContact O-N 2.78Å; G508-Y580 PolarHBondContact N-OH 2.76Å
509	R	90	Very high	95	Very high	58 Å²	58	28 Å²	28	22%	0.219	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.5	-176.2	75.3	-179.9	-62.1	171.2	5.8	115	E441 S445 V511 E512 D513	E441-R509 HydrophobicContact CB-CG 4.25Å; E441-R509 HydrophobicContact CG-CG 4.44Å; E441-R509 PolarHBondContact O-N 2.89Å; S445-R509 PolarHBondContact O-NH2 3.05Å; R509-V511 VanDerWaalsContact C-N 3.25Å; R509-E512 WeakPolarHBondContact CA-O 3.21Å; R509-D513 IonicContact CZ-OD2 2.69Å; R509-D513 IonicContact NE-OD2 2.71Å; R509-D513 PolarHBondContact NE-OD2 3Å; R509-D513 IonicContact NH2-OD2 3.73Å; R509-D513 PolarHBondContact NH2-OD2 2.89Å; R509-D513 WeakPolarHBondContact O-CB 3.45Å
510	N	91.6	Very high	94.9	Very high	78 Å²	78	29.4 Å²	29.4	42%	0.417	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-10.9	-179.9	-75	-23	0	0	0	112.5	E441 K480 G508	E441-N510 PolarHBondContact OE1-ND2 2.99Å; K480-N510 HydrophobicContact CD-CB 4.43Å; K480-N510 WeakPolarHBondContact CE-O 3.35Å; K480-N510 HydrophobicContact CG-CB 4.29Å; G508-N510 PolarHBondContact O-N 3.11Å; G508-N510 VanDerWaalsContact O-N 3.14Å
511	V	94.3	Very high	94.8	Very high	29 Å²	29	30 Å²	30	18%	0.176	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-36.8	177.9	174.6	0	0	0	0	111.6	K480 T507 G508 R509 R518 P524	K480-V511 HydrophobicContact CG-CG2 3.92Å; T507-V511 HydrophobicContact CG2-CG1 4.02Å; T507-V511 VanDerWaalsContact O-CB 3.3Å; T507-V511 WeakPolarHBondContact O-CB 3.4Å; T507-V511 WeakPolarHBondContact O-CG2 3.45Å; G508-V511 PolarHBondContact O-N 2.88Å; G508-V511 VanDerWaalsContact O-N 3.16Å; R509-V511 VanDerWaalsContact C-N 3.25Å; V511-R518 HydrophobicContact CG1-CG 4.36Å; V511-P524 HydrophobicContact CB-CG 4.4Å; V511-P524 HydrophobicContact CG1-CB 4.22Å; V511-P524 HydrophobicContact CG1-CG 3.75Å; V511-P524 HydrophobicContact CG2-CB 3.99Å; V511-P524 HydrophobicContact CG2-CG 3.97Å
512	E	93.2	Very high	94.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	-138.7	121.6	177.2	66.4	-174.8	177.8	0	0	111.3	T507 G508 R509 R518 S558 Y580	T507-E512 WeakPolarHBondContact CB-OE1 3.43Å; T507-E512 HydrophobicContact CG2-CG 4.44Å; T507-E512 VanDerWaalsContact OG1-CD 3.25Å; T507-E512 PolarHBondContact OG1-OE1 3.46Å; G508-E512 PolarHBondContact O-N 2.78Å; R509-E512 WeakPolarHBondContact CA-O 3.21Å; E512-R518 HydrophobicContact CB-CG 3.88Å; E512-R518 WeakPolarHBondContact OE2-CD 3.44Å; E512-R518 IonicContact OE2-CZ 3.69Å; E512-R518 IonicContact OE2-NE 3.8Å; E512-R518 PolarHBondContact OE2-NE 2.57Å; E512-R518 IonicContact OE2-NH2 3.02Å; E512-S558 WeakPolarHBondContact OE1-CB 2.96Å; E512-S558 PolarHBondContact OE1-N 2.84Å; E512-S558 PolarHBondContact OE1-OG 3.48Å; E512-S558 PolarHBondContact OE2-OG 3.14Å; E512-Y580 PolarHBondContact OE1-OH 2.9Å
513	D	92.8	Very high	94.6	Very high	13 Å²	13	33.4 Å²	33.4	7%	0.07	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-161.4	-177.1	178.3	-149.7	-10.5	0	0	0	110.4	G154 K157 S445 R509 S515 H516	G154-D513 CarbonylContact C-O 3.44Å; G154-D513 CarbonylContact O-C 3.57Å; G154-D513 WeakPolarHBondContact O-CA 3.11Å; G154-D513 PolarHBondContact O-N 2.55Å; K157-D513 VanDerWaalsContact CE-OD1 3.28Å; K157-D513 WeakPolarHBondContact CE-OD1 3.41Å; K157-D513 IonicContact NZ-OD1 2.77Å; K157-D513 PolarHBondContact NZ-OD1 3.34Å; K157-D513 IonicContact NZ-OD2 3.98Å; K157-D513 PolarHBondContact NZ-OD2 3.42Å; S445-D513 WeakPolarHBondContact CB-OD1 3.47Å; S445-D513 PolarHBondContact OG-OD1 3.14Å; R509-D513 IonicContact CZ-OD2 2.69Å; R509-D513 IonicContact NE-OD2 2.71Å; R509-D513 PolarHBondContact NE-OD2 3Å; R509-D513 IonicContact NH2-OD2 3.73Å; R509-D513 PolarHBondContact NH2-OD2 2.89Å; R509-D513 WeakPolarHBondContact O-CB 3.45Å; D513-S515 PolarHBondContact O-N 3.4Å; D513-H516 PolarHBondContact N-O 2.99Å; D513-H516 CarbonylContact O-C 3.55Å; D513-H516 PolarHBondContact O-N 2.89Å
514	E	92.1	Very high	94.6	Very high	47 Å²	47	34.4 Å²	34.4	22%	0.22	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.9	130.7	162.7	-177.9	161.3	-154.6	0	0	111.2	R155 R226 Y446 H516	R155-E514 HydrophobicContact CG-CB 4.43Å; R226-E514 IonicContact CZ-OE1 3.65Å; R226-E514 VanDerWaalsContact NH1-CG 3.3Å; R226-E514 IonicContact NH1-OE1 2.92Å; R226-E514 PolarHBondContact NH1-OE1 3Å; R226-E514 IonicContact NH2-OE1 3.97Å; R226-E514 PolarHBondContact NH2-OE1 2.82Å; Y446-E514 PolarHBondContact OH-OE2 3.47Å; E514-H516 PolarHBondContact O-N 2.93Å; E514-H516 PolarHBondContact O-ND1 2.79Å
515	S	93.3	Very high	94.5	Very high	37 Å²	37	36.7 Å²	36.7	26%	0.259	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	5.8	-175.6	-54.7	0	0	0	0	116.1	E220 N221 D513	E220-S515 PolarHBondContact OE2-N 2.99Å; N221-S515 WeakPolarHBondContact ND2-CA 3.37Å; N221-S515 VanDerWaalsContact ND2-CB 3.35Å; N221-S515 WeakPolarHBondContact ND2-CB 3.49Å; N221-S515 PolarHBondContact ND2-O 2.87Å; D513-S515 PolarHBondContact O-N 3.4Å
516	H	93.4	Very high	94.5	Very high	112 Å²	112	40.3 Å²	40.3	52%	0.519	22%	0.219	S	C	.	.	B	Isolated β-bridge	trans	-136	98.2	-176.5	-61.2	86	0	0	0	111.8	G154 D513 E514	G154-H516 WeakPolarHBondContact CA-O 3.46Å; D513-H516 PolarHBondContact N-O 2.99Å; D513-H516 CarbonylContact O-C 3.55Å; D513-H516 PolarHBondContact O-N 2.89Å; E514-H516 PolarHBondContact O-N 2.93Å; E514-H516 PolarHBondContact O-ND1 2.79Å
517	D	95.8	Very high	94.6	Very high	13 Å²	13	40.3 Å²	40.3	7%	0.07	22%	0.219	C	C	.	.			trans	-81.7	157.7	171	-58.8	-64.2	0	0	0	111.7	L152 G154 E220 N221 D222	L152-D517 WeakPolarHBondContact O-CA 3.5Å; L152-D517 WeakPolarHBondContact O-CB 3.41Å; G154-D517 PolarHBondContact N-OD1 3.2Å; G154-D517 VanDerWaalsContact N-OD1 3.13Å; E220-D517 VanDerWaalsContact CA-OD2 3.32Å; E220-D517 WeakPolarHBondContact CA-OD2 3.3Å; E220-D517 WeakPolarHBondContact CB-OD1 3.21Å; E220-D517 WeakPolarHBondContact CB-OD2 3.05Å; E220-D517 PolarHBondContact N-OD1 3.44Å; E220-D517 PolarHBondContact N-OD2 2.91Å; N221-D517 PolarHBondContact N-OD2 2.86Å; D222-D517 HydrophobicContact CB-CB 4.3Å; D222-D517 PolarHBondContact N-OD2 3.39Å
518	R	95.1	Very high	94.7	Very high	13 Å²	13	43 Å²	43	5%	0.049	23%	0.233	C	C	.	.			trans	-83	156.8	165.9	-63	-167.9	-72.4	149.4	0.2	110.4	P151 L152 V511 E512 P560	P151-R518 PolarHBondContact O-NH2 2.92Å; L152-R518 WeakPolarHBondContact CB-O 3.48Å; L152-R518 HydrophobicContact CD2-CB 3.86Å; L152-R518 PolarHBondContact O-N 3.01Å; V511-R518 HydrophobicContact CG1-CG 4.36Å; E512-R518 HydrophobicContact CB-CG 3.88Å; E512-R518 WeakPolarHBondContact OE2-CD 3.44Å; E512-R518 IonicContact OE2-CZ 3.69Å; E512-R518 IonicContact OE2-NE 3.8Å; E512-R518 PolarHBondContact OE2-NE 2.57Å; E512-R518 IonicContact OE2-NH2 3.02Å; R518-P560 VanDerWaalsContact CZ-O 3.32Å; R518-P560 PolarHBondContact NH1-O 2.98Å; R518-P560 PolarHBondContact NH2-O 2.9Å
519	H	93.3	Very high	94.9	Very high	136 Å²	136	47.2 Å²	47.2	63%	0.63	25%	0.253	S	S	*	.	S	Bend	trans	-99	-21.1	177.7	-57.2	-63.1	0	0	0	113.8	D222	D222-H519 IonicContact OD2-CE1 3.85Å; D222-H519 PolarHBondContact OD2-CE1 3.24Å; D222-H519 IonicContact OD2-CG 3.19Å; D222-H519 IonicContact OD2-ND1 2.88Å; D222-H519 PolarHBondContact OD2-ND1 3.01Å
520	N	94.8	Very high	95.3	Very high	81 Å²	81	44.5 Å²	44.5	43%	0.433	24%	0.243	S	C	.	.	S	Bend	trans	-157.7	178.6	-178.5	57.2	57	0	0	0	110.3	L152 S522	L152-N520 VanDerWaalsContact CD2-O 3.3Å; L152-N520 WeakPolarHBondContact CD2-O 3.14Å; N520-S522 WeakPolarHBondContact OD1-CA 3.38Å; N520-S522 WeakPolarHBondContact OD1-CB 3.31Å; N520-S522 PolarHBondContact OD1-N 2.95Å; N520-S522 PolarHBondContact OD1-OG 3.49Å
521	L	95.5	Very high	95.6	Very high	12 Å²	12	40.8 Å²	40.8	6%	0.063	22%	0.223	C	C	.	.	S	Bend	trans	-86.5	-6.1	174.4	-61.9	-170.7	0	0	0	113.8	P151 L152 P560 I561 D562 I644	P151-L521 HydrophobicContact CB-CD2 3.71Å; P151-L521 HydrophobicContact CG-CD2 3.88Å; L152-L521 HydrophobicContact CD2-CD2 4.41Å; L521-P560 HydrophobicContact CD2-CB 4.38Å; L521-I561 CarbonylContact O-C 3.56Å; L521-I561 WeakPolarHBondContact O-CA 3.43Å; L521-I561 WeakPolarHBondContact O-CG1 3.24Å; L521-D562 PolarHBondContact O-N 3.48Å; L521-I644 HydrophobicContact CD1-CG2 3.49Å; L521-I644 VanDerWaalsContact CD1-CG2 3.49Å; L521-I644 HydrophobicContact CD2-CG2 3.81Å; L521-I644 HydrophobicContact CG-CG2 3.52Å
522	S	96.4	Very high	95.7	Very high	62 Å²	62	42.8 Å²	42.8	43%	0.434	23%	0.232	S	C	.	.	S	Bend	trans	-62.5	153.7	-175.3	-52.5	0	0	0	0	111.2	N520	N520-S522 WeakPolarHBondContact OD1-CA 3.38Å; N520-S522 WeakPolarHBondContact OD1-CB 3.31Å; N520-S522 PolarHBondContact OD1-N 2.95Å; N520-S522 PolarHBondContact OD1-OG 3.49Å
523	L	97.6	Very high	95.7	Very high	11 Å²	11	44 Å²	44	6%	0.058	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-58	135.3	167.3	-78.1	164.7	0	0	0	110.1	I505 Q527 N528 L531 I561 D562	I505-L523 HydrophobicContact CB-CD2 3.94Å; I505-L523 HydrophobicContact CD1-CD1 4.17Å; I505-L523 HydrophobicContact CD1-CD2 3.91Å; I505-L523 HydrophobicContact CG1-CD2 4.31Å; L523-Q527 HydrophobicContact CB-CB 3.84Å; L523-Q527 HydrophobicContact CD2-CB 4.35Å; L523-N528 HydrophobicContact CB-CB 4.33Å; L523-L531 HydrophobicContact CD1-CD2 3.76Å; L523-I561 HydrophobicContact CD2-CD1 3.45Å; L523-I561 VanDerWaalsContact CD2-CD1 3.45Å; L523-I561 HydrophobicContact CD2-CG1 3.9Å; L523-I561 HydrophobicContact CG-CD1 4.19Å; L523-I561 HydrophobicContact CG-CG1 4.19Å; L523-D562 WeakPolarHBondContact CG-O 3.32Å
524	P	97	Very high	95.9	Very high	20 Å²	20	43.4 Å²	43.4	13%	0.13	24%	0.238	C	C	.	.	S	Bend	trans	-68.3	145.7	-175.3	-17.2	29.3	0	0	0	112.5	G479 G506 T507 V511 H526 Q527	G479-P524 WeakPolarHBondContact O-CB 3.13Å; G506-P524 WeakPolarHBondContact O-CD 3.13Å; T507-P524 HydrophobicContact CG2-CG 4.33Å; V511-P524 HydrophobicContact CB-CG 4.4Å; V511-P524 HydrophobicContact CG1-CB 4.22Å; V511-P524 HydrophobicContact CG1-CG 3.75Å; V511-P524 HydrophobicContact CG2-CB 3.99Å; V511-P524 HydrophobicContact CG2-CG 3.97Å; P524-H526 PolarHBondContact O-N 2.84Å; P524-Q527 WeakPolarHBondContact O-CB 3.47Å; P524-Q527 WeakPolarHBondContact O-CG 3.39Å; P524-Q527 PolarHBondContact O-N 3.11Å; P524-Q527 VanDerWaalsContact O-N 3.16Å
525	G	97	Very high	96.1	Very high	49 Å²	49	41.4 Å²	41.4	51%	0.505	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	-128.5	176.5	0	0	0	0	0	111.6	K480 C481	K480-G525 WeakPolarHBondContact O-CA 3.36Å; K480-G525 PolarHBondContact O-N 3.48Å; C481-G525 WeakPolarHBondContact O-CA 3.34Å
526	H	97.9	Very high	96.2	Very high	76 Å²	76	43 Å²	43	35%	0.352	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	14.8	-177.5	-69.2	-61.4	0	0	0	115.3	C481 T482 F484 P524 N528 E529 F530	C481-H526 PolarHBondContact O-N 3.07Å; T482-H526 PolarHBondContact O-CD2 3.36Å; T482-H526 VanDerWaalsContact O-CD2 3.22Å; F484-H526 HydrophobicContact CD1-CB 3.43Å; F484-H526 VanDerWaalsContact CD1-CB 3.43Å; F484-H526 HydrophobicContact CE1-CB 3.88Å; F484-H526 HydrophobicContact CG-CB 4.42Å; P524-H526 PolarHBondContact O-N 2.84Å; H526-N528 PolarHBondContact O-N 3.17Å; H526-E529 WeakPolarHBondContact CA-OE2 3.48Å; H526-E529 IonicContact CG-OE2 3.72Å; H526-E529 IonicContact ND1-OE1 2.89Å; H526-E529 PolarHBondContact ND1-OE1 2.6Å; H526-E529 IonicContact ND1-OE2 3.25Å; H526-E529 PolarHBondContact ND1-OE2 3.24Å; H526-E529 PolarHBondContact O-N 3.17Å; H526-F530 WeakPolarHBondContact O-CB 3.47Å; H526-F530 PolarHBondContact O-N 3.37Å
527	Q	98.1	Very high	96.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-28.9	179.9	-78.3	-169.2	58.2	0	0	112.9	P434 G479 C481 G506 L523 P524 L531	P434-Q527 HydrophobicContact CG-CG 4.42Å; G479-Q527 PolarHBondContact O-NE2 3.39Å; C481-Q527 HydrophobicContact CB-CG 3.57Å; G506-Q527 PolarHBondContact O-NE2 3.43Å; G506-Q527 PolarHBondContact O-OE1 3.34Å; L523-Q527 HydrophobicContact CB-CB 3.84Å; L523-Q527 HydrophobicContact CD2-CB 4.35Å; P524-Q527 WeakPolarHBondContact O-CB 3.47Å; P524-Q527 WeakPolarHBondContact O-CG 3.39Å; P524-Q527 PolarHBondContact O-N 3.11Å; P524-Q527 VanDerWaalsContact O-N 3.16Å; Q527-L531 VanDerWaalsContact O-CB 3.24Å; Q527-L531 WeakPolarHBondContact O-CB 3.21Å; Q527-L531 PolarHBondContact O-N 3.2Å
528	N	97.7	Very high	96.3	Very high	56 Å²	56	37.6 Å²	37.6	30%	0.299	21%	0.209	S	C	.	.	H	α-helix	trans	-70	-44.5	176.4	-174.3	62.9	0	0	0	112	L523 H526 L531 L532	L523-N528 HydrophobicContact CB-CB 4.33Å; H526-N528 PolarHBondContact O-N 3.17Å; N528-L531 PolarHBondContact O-N 3.48Å; N528-L532 WeakPolarHBondContact O-CG 3.13Å; N528-L532 PolarHBondContact O-N 3.18Å
529	E	97	Very high	96.3	Very high	89 Å²	89	37.6 Å²	37.6	42%	0.416	21%	0.212	S	C	.	.	H	α-helix	trans	-63.9	-42.6	174.6	-62.8	92.5	161.2	0	0	111.4	F484 H526 L531 L532 S533	F484-E529 HydrophobicContact CE1-CB 4.09Å; F484-E529 HydrophobicContact CZ-CB 4.14Å; H526-E529 WeakPolarHBondContact CA-OE2 3.48Å; H526-E529 IonicContact CG-OE2 3.72Å; H526-E529 IonicContact ND1-OE1 2.89Å; H526-E529 PolarHBondContact ND1-OE1 2.6Å; H526-E529 IonicContact ND1-OE2 3.25Å; H526-E529 PolarHBondContact ND1-OE2 3.24Å; H526-E529 PolarHBondContact O-N 3.17Å; E529-L531 PolarHBondContact O-N 3.39Å; E529-L532 PolarHBondContact O-N 3.44Å; E529-S533 VanDerWaalsContact O-CB 3.25Å; E529-S533 WeakPolarHBondContact O-CB 3.49Å; E529-S533 PolarHBondContact O-N 3.44Å
530	F	96.4	Very high	96.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-54.6	-50.9	172.6	154	-119.5	0	0	0	111.8	L432 G433 I474 F484 I489 I503 I505 H526 S533 T534	L432-F530 HydrophobicContact CB-CE2 4.05Å; L432-F530 HydrophobicContact CB-CZ 4.04Å; G433-F530 VanDerWaalsContact CA-CZ 3.47Å; I474-F530 HydrophobicContact CB-CD2 4.4Å; I474-F530 HydrophobicContact CB-CE2 4.25Å; I474-F530 HydrophobicContact CG1-CE2 4.02Å; I474-F530 HydrophobicContact CG2-CD2 3.58Å; I474-F530 HydrophobicContact CG2-CE2 3.9Å; I474-F530 HydrophobicContact CG2-CG 4.07Å; F484-F530 HydrophobicContact CD2-CB 4.13Å; F484-F530 HydrophobicContact CE2-CB 4.45Å; F484-F530 HydrophobicContact CG-CB 4.37Å; I489-F530 HydrophobicContact CD1-CD2 3.67Å; I489-F530 HydrophobicContact CD1-CE2 4.28Å; I489-F530 HydrophobicContact CG1-CD2 4.45Å; I503-F530 HydrophobicContact CG2-CE1 3.82Å; I503-F530 HydrophobicContact CG2-CZ 3.75Å; I505-F530 HydrophobicContact CG2-CD1 4.38Å; I505-F530 HydrophobicContact CG2-CE1 3.98Å; H526-F530 WeakPolarHBondContact O-CB 3.47Å; H526-F530 PolarHBondContact O-N 3.37Å; F530-S533 PolarHBondContact O-N 3.29Å; F530-T534 VanDerWaalsContact CD2-OG1 3.24Å; F530-T534 WeakPolarHBondContact CD2-OG1 3.37Å; F530-T534 HydrophobicContact CE2-CG2 4.45Å; F530-T534 WeakPolarHBondContact CE2-OG1 3.42Å; F530-T534 VanDerWaalsContact O-CB 3.32Å; F530-T534 WeakPolarHBondContact O-CB 3.28Å; F530-T534 PolarHBondContact O-N 3.31Å; F530-T534 PolarHBondContact O-OG1 3.31Å
531	L	97.9	Very high	96	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.1	-51.5	-179	176.6	62.6	0	0	0	110.4	I503 I505 L523 Q527 N528 E529 S533 T534 L535 L553 A566	I503-L531 HydrophobicContact CD1-CD1 4.09Å; I503-L531 HydrophobicContact CG2-CD1 4.16Å; I505-L531 HydrophobicContact CD1-CD2 4.3Å; L523-L531 HydrophobicContact CD1-CD2 3.76Å; Q527-L531 VanDerWaalsContact O-CB 3.24Å; Q527-L531 WeakPolarHBondContact O-CB 3.21Å; Q527-L531 PolarHBondContact O-N 3.2Å; N528-L531 PolarHBondContact O-N 3.48Å; E529-L531 PolarHBondContact O-N 3.39Å; L531-S533 PolarHBondContact O-N 2.98Å; L531-T534 PolarHBondContact O-N 3.43Å; L531-L535 HydrophobicContact CD1-CD1 4.07Å; L531-L535 HydrophobicContact CD1-CG 4.11Å; L531-L535 HydrophobicContact CG-CD1 4.14Å; L531-L535 HydrophobicContact CG-CG 4.49Å; L531-L535 WeakPolarHBondContact O-CB 3.31Å; L531-L535 VanDerWaalsContact O-CG 3.23Å; L531-L535 WeakPolarHBondContact O-CG 3.38Å; L531-L535 PolarHBondContact O-N 2.96Å; L531-L553 HydrophobicContact CD1-CD1 4.05Å; L531-A566 HydrophobicContact CD1-CB 4.5Å; L531-A566 HydrophobicContact CD2-CB 4.31Å
532	L	96.5	Very high	95.3	Very high	71 Å²	71	34.1 Å²	34.1	37%	0.372	21%	0.206	S	C	.	.	H	α-helix	trans	-62.5	-45.1	-179.1	-66.1	176.2	0	0	0	112.2	N528 E529 T534 L535 D536 P565	N528-L532 WeakPolarHBondContact O-CG 3.13Å; N528-L532 PolarHBondContact O-N 3.18Å; E529-L532 PolarHBondContact O-N 3.44Å; L532-T534 PolarHBondContact O-N 2.92Å; L532-L535 PolarHBondContact O-N 3.28Å; L532-D536 PolarHBondContact O-N 3.04Å; L532-P565 HydrophobicContact CD2-CB 3.76Å; L532-P565 HydrophobicContact CD2-CG 4.35Å
533	S	94.8	Very high	94.3	Very high	27 Å²	27	37.8 Å²	37.8	19%	0.189	22%	0.219	C	C	.	.	H	α-helix	trans	-58.2	-47.6	177.1	-174.6	0	0	0	0	111.3	D486 E529 F530 L531 D536 M537	D486-S533 PolarHBondContact OD1-OG 2.99Å; D486-S533 VanDerWaalsContact OD1-OG 3.12Å; E529-S533 VanDerWaalsContact O-CB 3.25Å; E529-S533 WeakPolarHBondContact O-CB 3.49Å; E529-S533 PolarHBondContact O-N 3.44Å; F530-S533 PolarHBondContact O-N 3.29Å; L531-S533 PolarHBondContact O-N 2.98Å; S533-D536 PolarHBondContact O-N 2.8Å; S533-M537 WeakPolarHBondContact O-CG 3.35Å; S533-M537 PolarHBondContact O-N 3.2Å; S533-M537 VanDerWaalsContact OG-CE 3.31Å; S533-M537 WeakPolarHBondContact OG-CE 3.46Å
534	T	96.5	Very high	93.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65.3	-42.4	-179.9	-55.2	0	0	0	0	111.9	L432 L493 V501 I503 F530 L531 L532 M537 A538	L432-T534 HydrophobicContact CD1-CG2 3.74Å; L493-T534 HydrophobicContact CD1-CG2 4.1Å; V501-T534 HydrophobicContact CG1-CG2 4.24Å; I503-T534 HydrophobicContact CD1-CG2 3.52Å; I503-T534 HydrophobicContact CG1-CG2 3.94Å; F530-T534 VanDerWaalsContact CD2-OG1 3.24Å; F530-T534 WeakPolarHBondContact CD2-OG1 3.37Å; F530-T534 HydrophobicContact CE2-CG2 4.45Å; F530-T534 WeakPolarHBondContact CE2-OG1 3.42Å; F530-T534 VanDerWaalsContact O-CB 3.32Å; F530-T534 WeakPolarHBondContact O-CB 3.28Å; F530-T534 PolarHBondContact O-N 3.31Å; F530-T534 PolarHBondContact O-OG1 3.31Å; L531-T534 PolarHBondContact O-N 3.43Å; L532-T534 PolarHBondContact O-N 2.92Å; T534-M537 PolarHBondContact O-N 3.23Å; T534-A538 WeakPolarHBondContact O-CB 3.47Å; T534-A538 PolarHBondContact O-N 3.27Å
535	L	96.7	Very high	92.6	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-62.4	-44.3	177.3	-71.1	-178.2	0	0	0	111.8	I503 L531 L532 A539 R541 V551 A566 D569 V572	I503-L535 HydrophobicContact CD1-CD2 3.98Å; L531-L535 HydrophobicContact CD1-CD1 4.07Å; L531-L535 HydrophobicContact CD1-CG 4.11Å; L531-L535 HydrophobicContact CG-CD1 4.14Å; L531-L535 HydrophobicContact CG-CG 4.49Å; L531-L535 WeakPolarHBondContact O-CB 3.31Å; L531-L535 VanDerWaalsContact O-CG 3.23Å; L531-L535 WeakPolarHBondContact O-CG 3.38Å; L531-L535 PolarHBondContact O-N 2.96Å; L532-L535 PolarHBondContact O-N 3.28Å; L535-A539 VanDerWaalsContact O-CB 3.28Å; L535-A539 WeakPolarHBondContact O-CB 3.29Å; L535-A539 PolarHBondContact O-N 2.87Å; L535-R541 PolarHBondContact O-NH2 2.72Å; L535-V551 HydrophobicContact CD2-CB 4.35Å; L535-V551 HydrophobicContact CD2-CG1 3.96Å; L535-V551 HydrophobicContact CD2-CG2 4.15Å; L535-A566 HydrophobicContact CD1-CB 4.31Å; L535-D569 HydrophobicContact CD1-CB 4.41Å; L535-V572 HydrophobicContact CD1-CG2 4.28Å; L535-V572 HydrophobicContact CD2-CG2 3.35Å; L535-V572 HydrophobicContact CG-CG2 4.46Å
536	D	95.3	Very high	92.1	Very high	72 Å²	72	47.3 Å²	47.3	39%	0.385	24%	0.238	S	C	.	.	H	α-helix	trans	-64.1	-47.4	177.8	-81.3	-18	0	0	0	112	L532 S533 A538 A539 G540 R541	L532-D536 PolarHBondContact O-N 3.04Å; S533-D536 PolarHBondContact O-N 2.8Å; D536-A538 PolarHBondContact O-N 3.41Å; D536-A539 CarbonylContact O-C 3.29Å; D536-A539 PolarHBondContact O-N 3.12Å; D536-G540 PolarHBondContact O-N 3.13Å; D536-G540 VanDerWaalsContact O-N 3.14Å; D536-R541 CarbonylContact C-O 3.58Å; D536-R541 HydrophobicContact CB-CB 4.12Å; D536-R541 WeakPolarHBondContact O-CA 3.43Å; D536-R541 WeakPolarHBondContact O-CB 3.41Å; D536-R541 PolarHBondContact O-N 2.86Å; D536-R541 VanDerWaalsContact O-O 3.11Å; D536-R541 IonicContact OD1-CZ 3.93Å; D536-R541 IonicContact OD1-NE 3.53Å; D536-R541 PolarHBondContact OD1-NE 2.82Å; D536-R541 IonicContact OD1-NH2 2.6Å; D536-R541 PolarHBondContact OD1-NH2 3.02Å
537	M	94.6	Very high	91.8	Very high	10 Å²	10	52.4 Å²	52.4	5%	0.049	26%	0.259	C	S	.	.	H	α-helix	trans	-63	-43.3	177.7	-70.9	-175.1	-160.4	0	0	112.5	I489 Q490 L493 S533 T534 A539 G540 I544 R546	I489-M537 HydrophobicContact CB-SD 4.49Å; I489-M537 HydrophobicContact CG2-CE 4.49Å; I489-M537 HydrophobicContact CG2-SD 3.71Å; Q490-M537 HydrophobicContact CG-CE 3.47Å; Q490-M537 VanDerWaalsContact CG-CE 3.47Å; Q490-M537 HydrophobicContact CG-SD 3.87Å; L493-M537 HydrophobicContact CB-CB 4.36Å; L493-M537 HydrophobicContact CD1-CB 3.53Å; L493-M537 HydrophobicContact CD1-SD 4.42Å; S533-M537 WeakPolarHBondContact O-CG 3.35Å; S533-M537 PolarHBondContact O-N 3.2Å; S533-M537 VanDerWaalsContact OG-CE 3.31Å; S533-M537 WeakPolarHBondContact OG-CE 3.46Å; T534-M537 PolarHBondContact O-N 3.23Å; M537-A539 VanDerWaalsContact C-N 3.27Å; M537-A539 PolarHBondContact O-N 3.21Å; M537-G540 PolarHBondContact O-N 2.93Å; M537-I544 HydrophobicContact CB-CD1 4.18Å; M537-I544 HydrophobicContact CG-CD1 4.01Å; M537-I544 HydrophobicContact CG-CG1 4.34Å; M537-I544 HydrophobicContact SD-CD1 3.81Å; M537-R546 WeakPolarHBondContact O-CD 3.07Å
538	A	95.7	Very high	91.6	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.3	-36	177	0	0	0	0	0	111.9	V501 T534 D536 G540 P548 V549 V551	V501-A538 HydrophobicContact CG2-CB 4.14Å; T534-A538 WeakPolarHBondContact O-CB 3.47Å; T534-A538 PolarHBondContact O-N 3.27Å; D536-A538 PolarHBondContact O-N 3.41Å; A538-G540 VanDerWaalsContact C-N 3.26Å; A538-G540 PolarHBondContact O-N 2.82Å; A538-P548 CarbonylContact O-C 3.56Å; A538-P548 WeakPolarHBondContact O-CA 3.48Å; A538-V549 PolarHBondContact O-N 3.2Å; A538-V551 HydrophobicContact CB-CG2 3.76Å
539	A	95.2	Very high	91.6	Very high	13 Å²	13	53.6 Å²	53.6	11%	0.107	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-2.9	175.9	0	0	0	0	0	113.9	L535 D536 M537 R541 N571	L535-A539 VanDerWaalsContact O-CB 3.28Å; L535-A539 WeakPolarHBondContact O-CB 3.29Å; L535-A539 PolarHBondContact O-N 2.87Å; D536-A539 CarbonylContact O-C 3.29Å; D536-A539 PolarHBondContact O-N 3.12Å; M537-A539 VanDerWaalsContact C-N 3.27Å; M537-A539 PolarHBondContact O-N 3.21Å; A539-R541 HydrophobicContact CB-CG 3.85Å; A539-R541 VanDerWaalsContact CB-NH1 3.26Å; A539-R541 PolarHBondContact O-N 3.33Å; A539-N571 HydrophobicContact CB-CB 4.2Å; A539-N571 PolarHBondContact N-ND2 2.81Å
540	G	92.2	Very high	91.6	Very high	11 Å²	11	50.7 Å²	50.7	11%	0.113	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	23.3	-174.2	0	0	0	0	0	113.8	D536 M537 A538 I544	D536-G540 PolarHBondContact O-N 3.13Å; D536-G540 VanDerWaalsContact O-N 3.14Å; M537-G540 PolarHBondContact O-N 2.93Å; A538-G540 VanDerWaalsContact C-N 3.26Å; A538-G540 PolarHBondContact O-N 2.82Å; G540-I544 CarbonylContact C-O 3.49Å; G540-I544 VanDerWaalsContact C-O 3.29Å; G540-I544 WeakPolarHBondContact CA-O 3.42Å
541	R	90.1	Very high	91.7	Very high	91 Å²	91	50.7 Å²	50.7	34%	0.343	26%	0.259	S	S	.	.			trans	-92.3	148.5	174.2	-55.3	-175.8	-59.7	-117.2	-0.1	108.5	L535 D536 A539 D569	L535-R541 PolarHBondContact O-NH2 2.72Å; D536-R541 CarbonylContact C-O 3.58Å; D536-R541 HydrophobicContact CB-CB 4.12Å; D536-R541 WeakPolarHBondContact O-CA 3.43Å; D536-R541 WeakPolarHBondContact O-CB 3.41Å; D536-R541 PolarHBondContact O-N 2.86Å; D536-R541 VanDerWaalsContact O-O 3.11Å; D536-R541 IonicContact OD1-CZ 3.93Å; D536-R541 IonicContact OD1-NE 3.53Å; D536-R541 PolarHBondContact OD1-NE 2.82Å; D536-R541 IonicContact OD1-NH2 2.6Å; D536-R541 PolarHBondContact OD1-NH2 3.02Å; A539-R541 HydrophobicContact CB-CG 3.85Å; A539-R541 VanDerWaalsContact CB-NH1 3.26Å; A539-R541 PolarHBondContact O-N 3.33Å; R541-D569 IonicContact CZ-OD2 3.63Å; R541-D569 IonicContact NH1-OD1 2.85Å; R541-D569 PolarHBondContact NH1-OD1 2.82Å; R541-D569 IonicContact NH1-OD2 2.7Å; R541-D569 PolarHBondContact NH1-OD2 3.27Å; R541-D569 IonicContact NH2-OD2 2.76Å; R541-D569 PolarHBondContact NH2-OD2 3.41Å
542	G	80	Confident	91.8	Very high	54 Å²	54	50.7 Å²	50.7	56%	0.557	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	-131.2	-178.8	0	0	0	0	0	114.5
543	I	76.8	Confident	91.9	Very high	139 Å²	139	47.4 Å²	47.4	71%	0.713	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-36.7	-167.2	-57.1	171.1	0	0	0	111.8
544	I	74.9	Confident	92.1	Very high	22 Å²	22	46.1 Å²	46.1	11%	0.113	23%	0.233	C	C	.	.			trans	-90.1	120.7	-179.6	-59.2	-177.1	0	0	0	109.4	L493 M537 G540 R546	L493-I544 HydrophobicContact CB-CD1 4.13Å; M537-I544 HydrophobicContact CB-CD1 4.18Å; M537-I544 HydrophobicContact CG-CD1 4.01Å; M537-I544 HydrophobicContact CG-CG1 4.34Å; M537-I544 HydrophobicContact SD-CD1 3.81Å; G540-I544 CarbonylContact C-O 3.49Å; G540-I544 VanDerWaalsContact C-O 3.29Å; G540-I544 WeakPolarHBondContact CA-O 3.42Å; I544-R546 HydrophobicContact CG2-CB 4.08Å; I544-R546 HydrophobicContact CG2-CG 3.89Å
545	R	82.7	Confident	92.1	Very high	215 Å²	215	46.1 Å²	46.1	81%	0.811	23%	0.233	S	C	*	.			trans	-95	92.9	171	-63	-62.3	-176.1	179.8	-0.7	109.2
546	R	88	Confident	92.1	Very high	44 Å²	44	45.9 Å²	45.9	17%	0.166	23%	0.232	C	C	.	.			trans	-130	164.2	175	66.3	178.5	-62.7	160.5	7.3	111.4	L493 Q495 I498 M537 I544	L493-R546 PolarHBondContact O-NH1 2.89Å; Q495-R546 PolarHBondContact O-NH1 3.46Å; I498-R546 PolarHBondContact O-NH2 3.41Å; M537-R546 WeakPolarHBondContact O-CD 3.07Å; I544-R546 HydrophobicContact CG2-CB 4.08Å; I544-R546 HydrophobicContact CG2-CG 3.89Å
547	K	90.9	Very high	92.1	Very high	182 Å²	182	42.5 Å²	42.5	79%	0.791	21%	0.213	S	C	*	.			trans	-64.1	139	165.3	-175.6	-178.2	175	-173.2	0	108.4	V549	K547-V549 PolarHBondContact O-N 2.94Å
548	P	94.6	Very high	92	Very high	76 Å²	76	42 Å²	42	49%	0.494	21%	0.211	S	C	.	.			trans	-53	134.3	175.3	-25.7	32.6	0	0	0	112	A538	A538-P548 CarbonylContact O-C 3.56Å; A538-P548 WeakPolarHBondContact O-CA 3.48Å
549	V	96.9	Very high	91.9	Very high	6 Å²	6	42 Å²	42	4%	0.036	21%	0.211	C	C	.	.			trans	-109.6	131.1	174.8	-174.7	0	0	0	0	108.6	I498 V501 A538 K547 N571	I498-V549 HydrophobicContact CG2-CG1 4.15Å; V501-V549 HydrophobicContact CG2-CB 4.31Å; V501-V549 HydrophobicContact CG2-CG1 3.93Å; A538-V549 PolarHBondContact O-N 3.2Å; K547-V549 PolarHBondContact O-N 2.94Å; V549-N571 VanDerWaalsContact O-CG 3.28Å; V549-N571 PolarHBondContact O-ND2 3.36Å; V549-N571 PolarHBondContact O-OD1 3.03Å
550	P	97.8	Very high	91.9	Very high	28 Å²	28	41.4 Å²	41.4	18%	0.182	21%	0.206	C	C	.	.			trans	-59	143	178	26.7	-35.7	0	0	0	111.4	F412 D499 L500 V501 K573	F412-P550 HydrophobicContact CD2-CB 4.46Å; F412-P550 HydrophobicContact CE1-CB 4.5Å; F412-P550 HydrophobicContact CE2-CB 3.71Å; F412-P550 HydrophobicContact CE2-CG 3.9Å; F412-P550 HydrophobicContact CZ-CB 3.75Å; F412-P550 HydrophobicContact CZ-CG 3.89Å; D499-P550 WeakPolarHBondContact O-CD 2.92Å; D499-P550 WeakPolarHBondContact O-CG 3.4Å; L500-P550 HydrophobicContact CD1-CB 4.42Å; L500-P550 HydrophobicContact CD1-CG 4.2Å; V501-P550 PolarHBondContact N-O 3.1Å; P550-K573 HydrophobicContact CB-CG 3.61Å
551	V	98.7	Very high	92.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	134	177.6	175.6	0	0	0	0	110.3	V501 I503 L535 A538 N571 V572 K573 S574	V501-V551 HydrophobicContact CB-CG2 4.11Å; V501-V551 HydrophobicContact CG1-CG2 4.43Å; V501-V551 CarbonylContact O-C 3.59Å; V501-V551 VanDerWaalsContact O-CA 3.29Å; V501-V551 WeakPolarHBondContact O-CA 3.42Å; I503-V551 HydrophobicContact CD1-CG1 3.67Å; I503-V551 HydrophobicContact CG1-CG1 3.95Å; L535-V551 HydrophobicContact CD2-CB 4.35Å; L535-V551 HydrophobicContact CD2-CG1 3.96Å; L535-V551 HydrophobicContact CD2-CG2 4.15Å; A538-V551 HydrophobicContact CB-CG2 3.76Å; V551-N571 PolarHBondContact N-O 3.13Å; V551-V572 HydrophobicContact CB-CG2 4.19Å; V551-V572 HydrophobicContact CG1-CG2 4.1Å; V551-V572 CarbonylContact O-C 3.44Å; V551-K573 PolarHBondContact O-N 3.49Å; V551-S574 PolarHBondContact O-N 3.04Å
552	V	98.7	Very high	92.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129	165	173.8	0	0	0	0	109	F412 L500 V501 I502 I503 L554 S574 L593	F412-V552 HydrophobicContact CD1-CG2 4.32Å; F412-V552 HydrophobicContact CE1-CG2 3.83Å; L500-V552 HydrophobicContact CD1-CG2 4Å; V501-V552 PolarHBondContact O-N 3.25Å; I502-V552 CarbonylContact C-O 3.55Å; I502-V552 WeakPolarHBondContact CA-O 3.48Å; I502-V552 HydrophobicContact CG1-CB 4.42Å; I503-V552 PolarHBondContact N-O 3.19Å; V552-L554 HydrophobicContact CG1-CD2 4.21Å; V552-S574 WeakPolarHBondContact CA-O 3.29Å; V552-L593 HydrophobicContact CG1-CD2 4.09Å
553	L	98.7	Very high	93.3	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.4	179.5	-170.8	66.8	0	0	0	110.8	I503 I505 L531 V555 I563 A566 V572 S574 I575 F576	I503-L553 HydrophobicContact CB-CD1 3.68Å; I503-L553 HydrophobicContact CG2-CD1 3.65Å; I505-L553 HydrophobicContact CD1-CD1 3.71Å; I505-L553 HydrophobicContact CD1-CD2 3.79Å; I505-L553 HydrophobicContact CD1-CG 4.03Å; I505-L553 HydrophobicContact CG1-CD1 3.79Å; I505-L553 HydrophobicContact CG1-CG 4.24Å; I505-L553 HydrophobicContact CG2-CD1 4.45Å; L531-L553 HydrophobicContact CD1-CD1 4.05Å; L553-V555 HydrophobicContact CD2-CG2 3.95Å; L553-V555 HydrophobicContact CG-CG2 4Å; L553-I563 HydrophobicContact CD2-CB 4.49Å; L553-I563 HydrophobicContact CD2-CG2 4.46Å; L553-A566 HydrophobicContact CD2-CB 3.58Å; L553-V572 HydrophobicContact CB-CG1 4.46Å; L553-S574 PolarHBondContact N-O 3.42Å; L553-I575 HydrophobicContact CB-CB 4.44Å; L553-I575 HydrophobicContact CB-CG1 4.04Å; L553-I575 HydrophobicContact CB-CG2 4.29Å; L553-I575 HydrophobicContact CD2-CD1 4.36Å; L553-I575 HydrophobicContact CD2-CG1 4.29Å; L553-I575 HydrophobicContact CD2-CG2 4.12Å; L553-I575 HydrophobicContact CG-CG2 4.5Å; L553-I575 WeakPolarHBondContact O-CA 3.37Å; L553-F576 PolarHBondContact O-N 3.1Å
554	L	98.3	Very high	94.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	115.3	173.9	-55.7	-178.7	0	0	0	109.1	L458 I502 I503 T504 I505 V552 F556 F576 I589	L458-L554 HydrophobicContact CD2-CD1 3.8Å; I502-L554 HydrophobicContact CG2-CD1 3.77Å; I502-L554 HydrophobicContact CG2-CG 4.01Å; I503-L554 PolarHBondContact O-N 3.14Å; T504-L554 WeakPolarHBondContact CA-O 3.44Å; T504-L554 HydrophobicContact CG2-CD1 4.49Å; I505-L554 PolarHBondContact N-O 3.35Å; V552-L554 HydrophobicContact CG1-CD2 4.21Å; L554-F556 HydrophobicContact CB-CD2 4.48Å; L554-F556 HydrophobicContact CB-CE2 3.6Å; L554-F556 HydrophobicContact CB-CZ 3.94Å; L554-F556 HydrophobicContact CD1-CZ 4.42Å; L554-F576 HydrophobicContact CD2-CB 4.04Å; L554-F576 HydrophobicContact CD2-CD2 4Å; L554-F576 HydrophobicContact CD2-CG 4.43Å; L554-I589 HydrophobicContact CD1-CD1 3.98Å; L554-I589 HydrophobicContact CD1-CG1 4.18Å; L554-I589 HydrophobicContact CD1-CG2 4Å; L554-I589 HydrophobicContact CD2-CD1 4Å
555	V	97.9	Very high	95.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	117.4	-175.1	-171.7	0	0	0	0	110.4	I505 L553 I561 I563 I575 F576 C578 W640	I505-V555 HydrophobicContact CD1-CG2 4.22Å; I505-V555 HydrophobicContact CG1-CG2 4.16Å; I505-V555 WeakPolarHBondContact O-CA 3.46Å; L553-V555 HydrophobicContact CD2-CG2 3.95Å; L553-V555 HydrophobicContact CG-CG2 4Å; V555-I561 HydrophobicContact CG1-CG2 3.55Å; V555-I563 HydrophobicContact CG1-CG2 4.43Å; V555-I563 HydrophobicContact CG2-CD1 4.27Å; V555-I563 HydrophobicContact CG2-CG2 4.19Å; V555-I575 HydrophobicContact CG2-CG2 4.02Å; V555-F576 PolarHBondContact N-O 3Å; V555-C578 WeakPolarHBondContact O-CB 3.07Å; V555-C578 PolarHBondContact O-N 2.82Å; V555-W640 HydrophobicContact CG1-CH2 3.9Å; V555-W640 HydrophobicContact CG1-CZ2 4.3Å
556	F	96.2	Very high	96	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	93.2	-177.3	-62	-81.7	0	0	0	111.2	F435 L442 T504 I505 G506 T507 L554 C578 G579 L585	F435-F556 HydrophobicContact CB-CD2 4.36Å; F435-F556 HydrophobicContact CB-CE2 4.43Å; F435-F556 HydrophobicContact CD2-CB 3.97Å; F435-F556 AromaticContact CD2-CD2 3.62Å; F435-F556 HydrophobicContact CD2-CD2 3.62Å; F435-F556 HydrophobicContact CD2-CE2 4.44Å; F435-F556 HydrophobicContact CD2-CG 4.03Å; F435-F556 HydrophobicContact CE2-CB 3.94Å; F435-F556 HydrophobicContact CE2-CD2 4.37Å; F435-F556 HydrophobicContact CG-CD2 4.34Å; L442-F556 HydrophobicContact CD1-CB 4.47Å; L442-F556 HydrophobicContact CD1-CD1 3.5Å; L442-F556 HydrophobicContact CD1-CD2 4.42Å; L442-F556 HydrophobicContact CD1-CE1 3.73Å; L442-F556 HydrophobicContact CD1-CG 3.88Å; L442-F556 HydrophobicContact CD1-CZ 4.28Å; L442-F556 HydrophobicContact CD2-CB 3.66Å; L442-F556 HydrophobicContact CD2-CD1 4.11Å; L442-F556 HydrophobicContact CD2-CG 4Å; L442-F556 HydrophobicContact CG-CD1 4.41Å; T504-F556 HydrophobicContact CG2-CE2 3.99Å; I505-F556 PolarHBondContact O-N 3Å; G506-F556 CarbonylContact C-O 3.5Å; G506-F556 WeakPolarHBondContact CA-O 3.19Å; T507-F556 PolarHBondContact N-O 2.88Å; T507-F556 PolarHBondContact OG1-O 2.83Å; L554-F556 HydrophobicContact CB-CD2 4.48Å; L554-F556 HydrophobicContact CB-CE2 3.6Å; L554-F556 HydrophobicContact CB-CZ 3.94Å; L554-F556 HydrophobicContact CD1-CZ 4.42Å; F556-C578 HydrophobicContact CD1-CB 3.57Å; F556-C578 HydrophobicContact CE1-CB 3.41Å; F556-C578 VanDerWaalsContact CE1-CB 3.41Å; F556-C578 HydrophobicContact CG-CB 4.33Å; F556-C578 HydrophobicContact CZ-CB 4.09Å; F556-G579 WeakPolarHBondContact CD1-O 3.36Å; F556-L585 HydrophobicContact CE1-CD1 3.61Å; F556-L585 HydrophobicContact CE1-CD2 3.5Å; F556-L585 HydrophobicContact CE1-CG 4.2Å; F556-L585 HydrophobicContact CZ-CD1 4.03Å; F556-L585 HydrophobicContact CZ-CD2 3.72Å; F556-L585 HydrophobicContact CZ-CG 4.44Å
557	S	95.7	Very high	96.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.121	C	C	.	.			trans	-149.8	155.2	-179	61.5	0	0	0	0	111.7	T507 G559 W577	T507-S557 WeakPolarHBondContact OG1-CA 3.47Å; S557-G559 VanDerWaalsContact C-N 3.27Å; S557-G559 VanDerWaalsContact CB-O 3.32Å; S557-G559 WeakPolarHBondContact CB-O 3.18Å; S557-G559 PolarHBondContact OG-O 3.36Å; S557-W577 PolarHBondContact O-NE1 2.83Å
558	S	92.2	Very high	96.7	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-82.7	-4.8	174.6	77.3	0	0	0	0	114.2	N156 E512	N156-S558 WeakPolarHBondContact CB-O 3.38Å; E512-S558 WeakPolarHBondContact OE1-CB 2.96Å; E512-S558 PolarHBondContact OE1-N 2.84Å; E512-S558 PolarHBondContact OE1-OG 3.48Å; E512-S558 PolarHBondContact OE2-OG 3.14Å
559	G	93.5	Very high	96.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-167.5	-167	-179.9	0	0	0	0	0	111.8	S557	S557-G559 VanDerWaalsContact C-N 3.27Å; S557-G559 VanDerWaalsContact CB-O 3.32Å; S557-G559 WeakPolarHBondContact CB-O 3.18Å; S557-G559 PolarHBondContact OG-O 3.36Å
560	P	95.5	Very high	96.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.122	C	C	.	.			trans	-60.6	141.3	-177.1	-22.6	33.8	0	0	0	112.6	P151 R518 L521 F638 T639 W640 Y641	P151-P560 HydrophobicContact CB-CB 4.44Å; P151-P560 HydrophobicContact CB-CG 4Å; R518-P560 VanDerWaalsContact CZ-O 3.32Å; R518-P560 PolarHBondContact NH1-O 2.98Å; R518-P560 PolarHBondContact NH2-O 2.9Å; L521-P560 HydrophobicContact CD2-CB 4.38Å; P560-F638 HydrophobicContact CG-CD2 3.82Å; P560-F638 HydrophobicContact CG-CE2 3.88Å; P560-T639 VanDerWaalsContact CG-O 3.26Å; P560-T639 WeakPolarHBondContact CG-O 3.47Å; P560-W640 HydrophobicContact CB-CD2 4.26Å; P560-W640 HydrophobicContact CB-CG 3.98Å; P560-W640 HydrophobicContact CG-CG 4.49Å; P560-Y641 HydrophobicContact CG-CD2 4.26Å
561	I	96.4	Very high	96.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.117	C	C	.	.			trans	-141.7	148.5	173.7	-169.8	164.2	0	0	0	109.2	T507 L521 L523 V555 I563 W640	T507-I561 HydrophobicContact CG2-CD1 4.01Å; L521-I561 CarbonylContact O-C 3.56Å; L521-I561 WeakPolarHBondContact O-CA 3.43Å; L521-I561 WeakPolarHBondContact O-CG1 3.24Å; L523-I561 HydrophobicContact CD2-CD1 3.45Å; L523-I561 VanDerWaalsContact CD2-CD1 3.45Å; L523-I561 HydrophobicContact CD2-CG1 3.9Å; L523-I561 HydrophobicContact CG-CD1 4.19Å; L523-I561 HydrophobicContact CG-CG1 4.19Å; V555-I561 HydrophobicContact CG1-CG2 3.55Å; I561-I563 HydrophobicContact CG2-CG2 4.05Å; I561-I563 PolarHBondContact O-N 2.66Å; I561-I563 VanDerWaalsContact O-N 3.14Å; I561-W640 HydrophobicContact CG2-CH2 4.17Å; I561-W640 HydrophobicContact CG2-CZ2 3.61Å; I561-W640 WeakPolarHBondContact O-CZ2 3.46Å; I561-W640 PolarHBondContact O-NE1 3.2Å
562	D	96.4	Very high	96.8	Very high	46 Å²	46	23.8 Å²	23.8	25%	0.246	12%	0.118	C	C	.	.			trans	-70.1	111.1	-179.5	-175.1	8.2	0	0	0	110.4	L521 L523 E564	L521-D562 PolarHBondContact O-N 3.48Å; L523-D562 WeakPolarHBondContact CG-O 3.32Å; D562-E564 WeakPolarHBondContact OD1-CB 3.49Å; D562-E564 PolarHBondContact OD1-N 3.41Å
563	I	97.7	Very high	96.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.124	C	C	.	.			trans	-127.8	13.9	175.1	58.3	169.4	0	0	0	110.6	L406 I505 L553 V555 I561 P565 A566 V567 I575 W640 L679 Y680	L406-I563 HydrophobicContact CD1-CD1 4.24Å; I505-I563 HydrophobicContact CD1-CG2 3.62Å; L553-I563 HydrophobicContact CD2-CB 4.49Å; L553-I563 HydrophobicContact CD2-CG2 4.46Å; V555-I563 HydrophobicContact CG1-CG2 4.43Å; V555-I563 HydrophobicContact CG2-CD1 4.27Å; V555-I563 HydrophobicContact CG2-CG2 4.19Å; I561-I563 HydrophobicContact CG2-CG2 4.05Å; I561-I563 PolarHBondContact O-N 2.66Å; I561-I563 VanDerWaalsContact O-N 3.14Å; I563-P565 VanDerWaalsContact C-CD 3.41Å; I563-P565 VanDerWaalsContact C-N 3.32Å; I563-A566 PolarHBondContact O-N 3.46Å; I563-V567 HydrophobicContact CD1-CG2 4.18Å; I563-V567 HydrophobicContact CG1-CG2 4.06Å; I563-V567 WeakPolarHBondContact O-CG2 3.39Å; I563-V567 PolarHBondContact O-N 2.98Å; I563-I575 HydrophobicContact CD1-CG2 4.11Å; I563-W640 HydrophobicContact CD1-CH2 4.46Å; I563-W640 HydrophobicContact CD1-CZ2 3.85Å; I563-W640 HydrophobicContact CG1-CZ2 4.19Å; I563-L679 HydrophobicContact CD1-CD2 4.46Å; I563-L679 HydrophobicContact CG1-CD2 3.8Å; I563-Y680 HydrophobicContact CD1-CE2 4.39Å
564	E	96.5	Very high	96.7	Very high	61 Å²	61	25.1 Å²	25.1	29%	0.285	12%	0.124	S	C	.	.	H	α-helix	trans	-55.9	-38.9	-173.8	-171	173.7	179.8	0	0	113.2	D562 A566 V567 K568	D562-E564 WeakPolarHBondContact OD1-CB 3.49Å; D562-E564 PolarHBondContact OD1-N 3.41Å; E564-A566 VanDerWaalsContact C-N 3.34Å; E564-A566 PolarHBondContact O-N 3.42Å; E564-V567 PolarHBondContact O-N 2.78Å; E564-K568 HydrophobicContact CG-CD 4.25Å; E564-K568 PolarHBondContact O-N 2.87Å; E564-K568 VanDerWaalsContact O-N 3.09Å; E564-K568 WeakPolarHBondContact OE1-CE 3.32Å; E564-K568 IonicContact OE1-NZ 3.72Å; E564-K568 PolarHBondContact OE1-NZ 2.64Å
565	P	96.6	Very high	96.7	Very high	43 Å²	43	25.1 Å²	25.1	28%	0.279	12%	0.124	S	C	.	.	H	α-helix	trans	-57	-44.1	173.5	-25.8	35.5	0	0	0	113.3	L532 I563 K568 D569	L532-P565 HydrophobicContact CD2-CB 3.76Å; L532-P565 HydrophobicContact CD2-CG 4.35Å; I563-P565 VanDerWaalsContact C-CD 3.41Å; I563-P565 VanDerWaalsContact C-N 3.32Å; P565-K568 PolarHBondContact O-N 2.82Å; P565-D569 PolarHBondContact O-N 3.35Å; P565-D569 VanDerWaalsContact O-N 3.16Å
566	A	98.3	Very high	96.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-70.8	-32.9	178.6	0	0	0	0	0	112.6	K407 L531 L535 L553 I563 E564 K568 D569 V572	K407-A566 PolarHBondContact NZ-O 3.21Å; L531-A566 HydrophobicContact CD1-CB 4.5Å; L531-A566 HydrophobicContact CD2-CB 4.31Å; L535-A566 HydrophobicContact CD1-CB 4.31Å; L553-A566 HydrophobicContact CD2-CB 3.58Å; I563-A566 PolarHBondContact O-N 3.46Å; E564-A566 VanDerWaalsContact C-N 3.34Å; E564-A566 PolarHBondContact O-N 3.42Å; A566-K568 VanDerWaalsContact C-N 3.3Å; A566-K568 PolarHBondContact O-N 3.17Å; A566-D569 PolarHBondContact O-N 3.16Å; A566-V572 HydrophobicContact CB-CG2 4.24Å; A566-V572 WeakPolarHBondContact O-CB 3.12Å
567	V	97.8	Very high	96.9	Very high	35 Å²	35	25.2 Å²	25.2	21%	0.212	12%	0.124	C	C	.	.	H	α-helix	trans	-62.8	-39.6	174.5	176	0	0	0	0	110.8	K407 I563 E564 I575 L679 Y680	K407-V567 PolarHBondContact NZ-O 3.41Å; I563-V567 HydrophobicContact CD1-CG2 4.18Å; I563-V567 HydrophobicContact CG1-CG2 4.06Å; I563-V567 WeakPolarHBondContact O-CG2 3.39Å; I563-V567 PolarHBondContact O-N 2.98Å; E564-V567 PolarHBondContact O-N 2.78Å; V567-I575 HydrophobicContact CB-CD1 4.44Å; V567-I575 HydrophobicContact CG2-CD1 3.77Å; V567-L679 HydrophobicContact CG1-CD1 4.42Å; V567-L679 HydrophobicContact CG2-CD1 4.37Å; V567-L679 HydrophobicContact CG2-CD2 4.29Å; V567-Y680 HydrophobicContact CG2-CE2 4.24Å
568	K	96.9	Very high	96.9	Very high	145 Å²	145	25.2 Å²	25.2	63%	0.63	12%	0.124	S	C	*	.	H	α-helix	trans	-79.5	-22.4	-178.9	-70	175.2	-177.6	166.2	0	114.6	E564 P565 A566 E570	E564-K568 HydrophobicContact CG-CD 4.25Å; E564-K568 PolarHBondContact O-N 2.87Å; E564-K568 VanDerWaalsContact O-N 3.09Å; E564-K568 WeakPolarHBondContact OE1-CE 3.32Å; E564-K568 IonicContact OE1-NZ 3.72Å; E564-K568 PolarHBondContact OE1-NZ 2.64Å; P565-K568 PolarHBondContact O-N 2.82Å; A566-K568 VanDerWaalsContact C-N 3.3Å; A566-K568 PolarHBondContact O-N 3.17Å; K568-E570 PolarHBondContact O-N 2.9Å
569	D	97.7	Very high	97	Very high	21 Å²	21	25.2 Å²	25.2	11%	0.112	12%	0.124	C	C	.	.			trans	-75.3	122.6	-178	-163.3	-37	0	0	0	111.9	K407 L535 R541 P565 A566 N571 V572	K407-D569 PolarHBondContact NZ-O 2.97Å; L535-D569 HydrophobicContact CD1-CB 4.41Å; R541-D569 IonicContact CZ-OD2 3.63Å; R541-D569 IonicContact NH1-OD1 2.85Å; R541-D569 PolarHBondContact NH1-OD1 2.82Å; R541-D569 IonicContact NH1-OD2 2.7Å; R541-D569 PolarHBondContact NH1-OD2 3.27Å; R541-D569 IonicContact NH2-OD2 2.76Å; R541-D569 PolarHBondContact NH2-OD2 3.41Å; P565-D569 PolarHBondContact O-N 3.35Å; P565-D569 VanDerWaalsContact O-N 3.16Å; A566-D569 PolarHBondContact O-N 3.16Å; D569-N571 PolarHBondContact O-N 2.82Å; D569-N571 WeakPolarHBondContact OD1-CB 3.36Å; D569-N571 PolarHBondContact OD1-N 3.39Å; D569-V572 HydrophobicContact CB-CB 4.48Å; D569-V572 HydrophobicContact CB-CG2 3.97Å; D569-V572 WeakPolarHBondContact O-CB 3.44Å; D569-V572 PolarHBondContact O-N 3.15Å
570	E	95.7	Very high	96.8	Very high	132 Å²	132	25.2 Å²	25.2	62%	0.617	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-18.6	179.2	-63.9	-179.6	168.1	0	0	113.4	Y409 K568 V572 K573	Y409-E570 HydrophobicContact CE1-CB 4.37Å; K568-E570 PolarHBondContact O-N 2.9Å; E570-V572 VanDerWaalsContact C-N 3.31Å; E570-K573 PolarHBondContact O-NZ 3.01Å; E570-K573 VanDerWaalsContact O-NZ 3.14Å
571	N	96.7	Very high	96.2	Very high	15 Å²	15	25.3 Å²	25.3	8%	0.08	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-23.9	173.6	-162	51.4	0	0	0	111.8	A539 V549 V551 D569 K573	A539-N571 HydrophobicContact CB-CB 4.2Å; A539-N571 PolarHBondContact N-ND2 2.81Å; V549-N571 VanDerWaalsContact O-CG 3.28Å; V549-N571 PolarHBondContact O-ND2 3.36Å; V549-N571 PolarHBondContact O-OD1 3.03Å; V551-N571 PolarHBondContact N-O 3.13Å; D569-N571 PolarHBondContact O-N 2.82Å; D569-N571 WeakPolarHBondContact OD1-CB 3.36Å; D569-N571 PolarHBondContact OD1-N 3.39Å; N571-K573 PolarHBondContact O-N 2.83Å
572	V	98.5	Very high	95.5	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	102.5	169.2	-179.5	0	0	0	0	108.6	K407 L535 V551 L553 A566 D569 E570 I575	K407-V572 WeakPolarHBondContact CE-O 3.42Å; K407-V572 PolarHBondContact NZ-O 2.71Å; L535-V572 HydrophobicContact CD1-CG2 4.28Å; L535-V572 HydrophobicContact CD2-CG2 3.35Å; L535-V572 HydrophobicContact CG-CG2 4.46Å; V551-V572 HydrophobicContact CB-CG2 4.19Å; V551-V572 HydrophobicContact CG1-CG2 4.1Å; V551-V572 CarbonylContact O-C 3.44Å; L553-V572 HydrophobicContact CB-CG1 4.46Å; A566-V572 HydrophobicContact CB-CG2 4.24Å; A566-V572 WeakPolarHBondContact O-CB 3.12Å; D569-V572 HydrophobicContact CB-CB 4.48Å; D569-V572 HydrophobicContact CB-CG2 3.97Å; D569-V572 WeakPolarHBondContact O-CB 3.44Å; D569-V572 PolarHBondContact O-N 3.15Å; E570-V572 VanDerWaalsContact C-N 3.31Å; V572-I575 HydrophobicContact CG1-CD1 4.04Å; V572-I575 HydrophobicContact CG1-CG1 3.65Å
573	K	98.2	Very high	94.7	Very high	29 Å²	29	24 Å²	24	13%	0.126	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-39.1	-176.8	-61.7	-53.7	-177	-178.1	0	112.2	N408 Y409 E410 F412 P550 V551 E570 N571	N408-K573 CarbonylContact C-O 3.43Å; N408-K573 WeakPolarHBondContact CA-O 3.14Å; Y409-K573 HydrophobicContact CD1-CD 4.06Å; Y409-K573 PolarHBondContact N-O 2.78Å; E410-K573 IonicContact OE2-NZ 2.63Å; E410-K573 PolarHBondContact OE2-NZ 3.28Å; F412-K573 HydrophobicContact CB-CB 3.62Å; F412-K573 HydrophobicContact CB-CG 4.23Å; F412-K573 HydrophobicContact CD1-CB 3.49Å; F412-K573 VanDerWaalsContact CD1-CB 3.49Å; F412-K573 HydrophobicContact CD1-CG 4.24Å; F412-K573 HydrophobicContact CD2-CB 4.03Å; F412-K573 HydrophobicContact CD2-CG 3.94Å; F412-K573 HydrophobicContact CE1-CB 4.18Å; F412-K573 HydrophobicContact CE2-CG 4.39Å; F412-K573 HydrophobicContact CG-CB 3.42Å; F412-K573 VanDerWaalsContact CG-CB 3.42Å; F412-K573 HydrophobicContact CG-CG 3.87Å; P550-K573 HydrophobicContact CB-CG 3.61Å; V551-K573 PolarHBondContact O-N 3.49Å; E570-K573 PolarHBondContact O-NZ 3.01Å; E570-K573 VanDerWaalsContact O-NZ 3.14Å; N571-K573 PolarHBondContact O-N 2.83Å
574	S	98.5	Very high	93.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	148.7	179.4	-46.3	0	0	0	0	112.9	K407 N408 L413 V551 V552 L553	K407-S574 CarbonylContact O-C 3.59Å; K407-S574 WeakPolarHBondContact O-CA 3.23Å; K407-S574 WeakPolarHBondContact O-CB 3.23Å; N408-S574 PolarHBondContact OD1-OG 3.34Å; L413-S574 WeakPolarHBondContact CD1-OG 3.4Å; L413-S574 WeakPolarHBondContact CG-OG 3.46Å; V551-S574 PolarHBondContact O-N 3.04Å; V552-S574 WeakPolarHBondContact CA-O 3.29Å; L553-S574 PolarHBondContact N-O 3.42Å
575	I	98.7	Very high	93.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	128.1	175.9	-55.7	176.2	0	0	0	108.2	L406 K407 L553 V555 I563 V567 V572	L406-I575 HydrophobicContact CB-CB 4.21Å; L406-I575 HydrophobicContact CB-CG2 4.14Å; L406-I575 HydrophobicContact CD1-CG2 4.09Å; L406-I575 PolarHBondContact N-O 3.11Å; K407-I575 HydrophobicContact CB-CB 3.93Å; K407-I575 HydrophobicContact CB-CD1 4.02Å; K407-I575 HydrophobicContact CB-CG1 3.87Å; K407-I575 HydrophobicContact CD-CD1 3.78Å; K407-I575 HydrophobicContact CD-CG1 4.09Å; K407-I575 PolarHBondContact N-O 2.96Å; K407-I575 PolarHBondContact O-N 3.17Å; L553-I575 HydrophobicContact CB-CB 4.44Å; L553-I575 HydrophobicContact CB-CG1 4.04Å; L553-I575 HydrophobicContact CB-CG2 4.29Å; L553-I575 HydrophobicContact CD2-CD1 4.36Å; L553-I575 HydrophobicContact CD2-CG1 4.29Å; L553-I575 HydrophobicContact CD2-CG2 4.12Å; L553-I575 HydrophobicContact CG-CG2 4.5Å; L553-I575 WeakPolarHBondContact O-CA 3.37Å; V555-I575 HydrophobicContact CG2-CG2 4.02Å; I563-I575 HydrophobicContact CD1-CG2 4.11Å; V567-I575 HydrophobicContact CB-CD1 4.44Å; V567-I575 HydrophobicContact CG2-CD1 3.77Å; V572-I575 HydrophobicContact CG1-CD1 4.04Å; V572-I575 HydrophobicContact CG1-CG1 3.65Å
576	F	98.4	Very high	93.1	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.9	170	-73.2	-83.5	0	0	0	111.1	M403 V404 L405 L413 L553 L554 V555 V592 L593 P632 Y688	M403-F576 HydrophobicContact CB-CD1 4.49Å; M403-F576 HydrophobicContact CE-CB 3.72Å; M403-F576 HydrophobicContact CE-CD1 3.58Å; M403-F576 HydrophobicContact CE-CD2 4.29Å; M403-F576 HydrophobicContact CE-CE1 4.19Å; M403-F576 HydrophobicContact CE-CG 3.61Å; V404-F576 WeakPolarHBondContact O-CA 3.4Å; L405-F576 HydrophobicContact CB-CD1 4.15Å; L405-F576 HydrophobicContact CB-CE1 3.79Å; L405-F576 HydrophobicContact CD1-CD1 4.07Å; L405-F576 HydrophobicContact CD1-CD2 4.43Å; L405-F576 HydrophobicContact CD1-CE1 3.57Å; L405-F576 HydrophobicContact CD1-CE2 3.96Å; L405-F576 HydrophobicContact CD1-CG 4.48Å; L405-F576 HydrophobicContact CD1-CZ 3.51Å; L405-F576 HydrophobicContact CG-CE1 4.24Å; L413-F576 HydrophobicContact CD1-CE2 3.45Å; L413-F576 VanDerWaalsContact CD1-CE2 3.45Å; L413-F576 HydrophobicContact CD1-CZ 3.89Å; L553-F576 PolarHBondContact O-N 3.1Å; L554-F576 HydrophobicContact CD2-CB 4.04Å; L554-F576 HydrophobicContact CD2-CD2 4Å; L554-F576 HydrophobicContact CD2-CG 4.43Å; V555-F576 PolarHBondContact N-O 3Å; F576-V592 HydrophobicContact CE1-CG1 3.65Å; F576-V592 HydrophobicContact CE2-CG1 4.4Å; F576-V592 HydrophobicContact CZ-CG1 3.52Å; F576-L593 HydrophobicContact CE2-CD2 4.27Å; F576-P632 HydrophobicContact CE1-CG 3.86Å; F576-P632 HydrophobicContact CZ-CG 4.31Å; F576-Y688 WeakPolarHBondContact CZ-OH 3.33Å
577	W	98.1	Very high	92.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	121.7	155.6	175.8	74.1	0	0	0	109.1	I97 A101 V404 L406 S557 L636 F638 W640	I97-W577 HydrophobicContact CG1-CH2 4.19Å; I97-W577 HydrophobicContact CG1-CZ2 4.36Å; I97-W577 HydrophobicContact CG2-CH2 4.34Å; I97-W577 HydrophobicContact CG2-CZ2 4.31Å; A101-W577 HydrophobicContact CB-CH2 4.19Å; A101-W577 HydrophobicContact CB-CZ3 3.54Å; V404-W577 HydrophobicContact CB-CB 4.43Å; V404-W577 HydrophobicContact CB-CE3 4.05Å; V404-W577 HydrophobicContact CG2-CE3 3.61Å; V404-W577 HydrophobicContact CG2-CZ3 3.98Å; V404-W577 PolarHBondContact N-O 3.33Å; V404-W577 VanDerWaalsContact N-O 3.13Å; V404-W577 PolarHBondContact O-N 3.04Å; L406-W577 HydrophobicContact CD1-CB 3.87Å; L406-W577 HydrophobicContact CG-CB 4.27Å; S557-W577 PolarHBondContact O-NE1 2.83Å; W577-L636 HydrophobicContact CB-CD2 4.48Å; W577-L636 HydrophobicContact CD2-CD2 4.19Å; W577-L636 HydrophobicContact CE3-CD2 4.06Å; W577-L636 HydrophobicContact CG-CD2 4.41Å; W577-F638 HydrophobicContact CD2-CZ 4.37Å; W577-F638 AromaticContact CE2-CE1 3.97Å; W577-F638 AromaticContact CE2-CZ 3.81Å; W577-F638 AromaticContact CH2-CE1 3.91Å; W577-F638 HydrophobicContact CH2-CE1 3.91Å; W577-F638 AromaticContact CZ2-CE1 3.56Å; W577-F638 HydrophobicContact CZ2-CE1 3.56Å; W577-F638 AromaticContact CZ2-CZ 3.9Å; W577-F638 HydrophobicContact CZ2-CZ 3.9Å; W577-W640 HydrophobicContact CB-CH2 4.31Å; W577-W640 HydrophobicContact CB-CZ3 3.85Å; W577-W640 AromaticContact CD1-CH2 3.66Å; W577-W640 AromaticContact CD1-CZ3 3.45Å; W577-W640 VanDerWaalsContact CD1-CZ3 3.45Å; W577-W640 HydrophobicContact CG-CH2 4.21Å; W577-W640 AromaticContact CG-CZ3 3.67Å; W577-W640 HydrophobicContact CG-CZ3 3.67Å
578	C	95.9	Very high	92	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.095	C	C	.	.			trans	-102.6	-22.8	-172	-63.2	0	0	0	0	111.9	N98 V555 F556 M581	N98-C578 PolarHBondContact ND2-O 2.74Å; V555-C578 WeakPolarHBondContact O-CB 3.07Å; V555-C578 PolarHBondContact O-N 2.82Å; F556-C578 HydrophobicContact CD1-CB 3.57Å; F556-C578 HydrophobicContact CE1-CB 3.41Å; F556-C578 VanDerWaalsContact CE1-CB 3.41Å; F556-C578 HydrophobicContact CG-CB 4.33Å; F556-C578 HydrophobicContact CZ-CB 4.09Å; C578-M581 VanDerWaalsContact CA-CE 3.47Å; C578-M581 HydrophobicContact CB-CE 3.61Å; C578-M581 WeakPolarHBondContact O-CE 3.45Å; C578-M581 WeakPolarHBondContact O-CG 3.32Å
579	G	93.9	Very high	91.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.065	C	C	.	.			trans	55.1	-139.2	-168.9	0	0	0	0	0	111.5	F556	F556-G579 WeakPolarHBondContact CD1-O 3.36Å
580	Y	89.9	Confident	91.4	Very high	1 Å²	1	12.8 Å²	12.8	0%	0.004	6%	0.061	C	C	.	.			trans	-121	103.8	177.5	-59.7	-35.8	0	0	0	110.9	S95 N98 K157 L442 T507 G508 E512	S95-Y580 PolarHBondContact N-O 3Å; N98-Y580 PolarHBondContact OD1-N 2.61Å; N98-Y580 PolarHBondContact OD1-O 3.14Å; K157-Y580 HydrophobicContact CB-CD2 3.84Å; K157-Y580 HydrophobicContact CB-CE2 3.98Å; K157-Y580 HydrophobicContact CD-CD2 3.65Å; K157-Y580 HydrophobicContact CD-CE2 3.54Å; K157-Y580 HydrophobicContact CG-CD2 4.36Å; K157-Y580 HydrophobicContact CG-CE2 4.4Å; L442-Y580 HydrophobicContact CB-CD1 4.4Å; L442-Y580 HydrophobicContact CD2-CD1 3.88Å; L442-Y580 HydrophobicContact CD2-CE1 3.93Å; T507-Y580 PolarHBondContact OG1-OH 3.03Å; G508-Y580 PolarHBondContact N-OH 2.76Å; E512-Y580 PolarHBondContact OE1-OH 2.9Å
581	M	82.5	Confident	90.9	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.005	5%	0.046	C	C	.	.			trans	-95.9	-5.5	-174	-70.5	-169.3	-143.9	0	0	114.4	V94 M403 C578 I584 L585 V588	V94-M581 HydrophobicContact CG1-CB 4.34Å; V94-M581 HydrophobicContact CG1-CG 4.24Å; M403-M581 HydrophobicContact CB-CE 4.49Å; M403-M581 HydrophobicContact CE-CE 4.16Å; M403-M581 HydrophobicContact CG-CE 3.16Å; M403-M581 HydrophobicContact CG-SD 4.1Å; M403-M581 HydrophobicContact SD-CE 3.71Å; M403-M581 HydrophobicContact SD-SD 4.39Å; C578-M581 VanDerWaalsContact CA-CE 3.47Å; C578-M581 HydrophobicContact CB-CE 3.61Å; C578-M581 WeakPolarHBondContact O-CE 3.45Å; C578-M581 WeakPolarHBondContact O-CG 3.32Å; M581-I584 HydrophobicContact CB-CD1 3.65Å; M581-I584 HydrophobicContact CG-CD1 4.43Å; M581-I584 WeakPolarHBondContact O-CD1 3.5Å; M581-I584 WeakPolarHBondContact O-CG1 3.36Å; M581-I584 HydrophobicContact SD-CD1 4.43Å; M581-L585 HydrophobicContact CB-CB 4.28Å; M581-L585 HydrophobicContact CB-CD1 4.12Å; M581-L585 HydrophobicContact CE-CD1 4.27Å; M581-L585 HydrophobicContact CG-CD1 4.38Å; M581-L585 HydrophobicContact SD-CD1 3.8Å; M581-V588 HydrophobicContact SD-CB 4.42Å; M581-V588 HydrophobicContact SD-CG1 4.12Å
582	N	82.7	Confident	90.6	Very high	4 Å²	4	9.5 Å²	9.5	2%	0.021	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	54.4	-140	-174.2	-37.1	-85	0	0	0	112.6	S92 F93 I439 L442 V443 G444 I584 L585	S92-N582 WeakPolarHBondContact OG-CB 3.23Å; F93-N582 PolarHBondContact O-ND2 3.04Å; I439-N582 WeakPolarHBondContact CD1-O 3.2Å; L442-N582 PolarHBondContact O-N 3.01Å; V443-N582 VanDerWaalsContact CA-OD1 3.23Å; V443-N582 WeakPolarHBondContact CA-OD1 3.36Å; V443-N582 HydrophobicContact CG1-CB 4.2Å; G444-N582 PolarHBondContact N-OD1 3.38Å; N582-I584 VanDerWaalsContact C-N 3.31Å; N582-I584 PolarHBondContact O-N 3.02Å; N582-L585 WeakPolarHBondContact O-CB 3.04Å; N582-L585 PolarHBondContact O-N 3.24Å
583	D	79.4	Confident	90.4	Very high	15 Å²	15	9.5 Å²	9.5	8%	0.08	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-70.6	-18.5	-163.4	-54.4	-45.7	0	0	0	115.4	S92 I450 T455 L585	S92-D583 WeakPolarHBondContact CB-OD2 3.32Å; S92-D583 PolarHBondContact OG-OD2 3.28Å; I450-D583 WeakPolarHBondContact CG2-OD1 3.22Å; T455-D583 HydrophobicContact CG2-CB 4.45Å; T455-D583 VanDerWaalsContact OG1-CG 3.3Å; T455-D583 PolarHBondContact OG1-OD1 3.15Å; D583-L585 VanDerWaalsContact C-N 3.32Å
584	I	80.1	Confident	89.8	Confident	28 Å²	28	8.7 Å²	8.7	14%	0.144	4%	0.039	C	C	.	.	G	3₁₀ helix	trans	-87.4	0.2	-176.7	55.8	52.2	0	0	0	113.6	V94 S395 A399 M581 N582 G586 E587 V588	V94-I584 HydrophobicContact CG1-CD1 4.5Å; S395-I584 WeakPolarHBondContact OG-CG2 3.15Å; A399-I584 HydrophobicContact CB-CD1 3.25Å; A399-I584 HydrophobicContact CB-CG1 3.82Å; M581-I584 HydrophobicContact CB-CD1 3.65Å; M581-I584 HydrophobicContact CG-CD1 4.43Å; M581-I584 WeakPolarHBondContact O-CD1 3.5Å; M581-I584 WeakPolarHBondContact O-CG1 3.36Å; M581-I584 HydrophobicContact SD-CD1 4.43Å; N582-I584 VanDerWaalsContact C-N 3.31Å; N582-I584 PolarHBondContact O-N 3.02Å; I584-G586 PolarHBondContact O-N 3.25Å; I584-E587 PolarHBondContact O-N 2.98Å; I584-V588 HydrophobicContact CD1-CG2 3.83Å; I584-V588 PolarHBondContact O-N 3.44Å
585	L	87	Confident	88.8	Confident	1 Å²	1	9.3 Å²	9.3	1%	0.005	5%	0.046	C	C	.	.	H	α-helix	trans	-56.2	-53.5	-166.2	173.3	62.7	0	0	0	112.5	I439 L442 F556 M581 N582 D583 E587 V588 I589	I439-L585 HydrophobicContact CG2-CD2 4.02Å; L442-L585 HydrophobicContact CD1-CD2 3.66Å; F556-L585 HydrophobicContact CE1-CD1 3.61Å; F556-L585 HydrophobicContact CE1-CD2 3.5Å; F556-L585 HydrophobicContact CE1-CG 4.2Å; F556-L585 HydrophobicContact CZ-CD1 4.03Å; F556-L585 HydrophobicContact CZ-CD2 3.72Å; F556-L585 HydrophobicContact CZ-CG 4.44Å; M581-L585 HydrophobicContact CB-CB 4.28Å; M581-L585 HydrophobicContact CB-CD1 4.12Å; M581-L585 HydrophobicContact CE-CD1 4.27Å; M581-L585 HydrophobicContact CG-CD1 4.38Å; M581-L585 HydrophobicContact SD-CD1 3.8Å; N582-L585 WeakPolarHBondContact O-CB 3.04Å; N582-L585 PolarHBondContact O-N 3.24Å; D583-L585 VanDerWaalsContact C-N 3.32Å; L585-E587 VanDerWaalsContact C-N 3.29Å; L585-E587 PolarHBondContact O-N 3.42Å; L585-V588 PolarHBondContact O-N 3.03Å; L585-V588 VanDerWaalsContact O-N 3.17Å; L585-I589 HydrophobicContact CD1-CD1 3.99Å; L585-I589 HydrophobicContact CD1-CG1 3.67Å; L585-I589 HydrophobicContact CG-CG1 4.23Å; L585-I589 WeakPolarHBondContact O-CG1 3.47Å; L585-I589 PolarHBondContact O-N 2.99Å
586	G	89.4	Confident	87.3	Confident	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-56.8	-44.1	-175.6	0	0	0	0	0	112.3	A461 I584 I589 V590	A461-G586 VanDerWaalsContact CB-CA 3.47Å; A461-G586 VanDerWaalsContact CB-O 3.23Å; A461-G586 WeakPolarHBondContact CB-O 3.5Å; I584-G586 PolarHBondContact O-N 3.25Å; G586-I589 PolarHBondContact O-N 3.27Å; G586-V590 VanDerWaalsContact O-CG2 3.31Å; G586-V590 WeakPolarHBondContact O-CG2 3.29Å; G586-V590 PolarHBondContact O-N 3.48Å
587	E	84.8	Confident	85	Confident	35 Å²	35	15.7 Å²	15.7	16%	0.164	8%	0.084	C	C	.	.	H	α-helix	trans	-64.7	-41.4	179.6	-171.2	66.9	-172.2	0	0	112.3	L396 K464 I584 L585 R591	L396-E587 HydrophobicContact CD1-CB 4.02Å; L396-E587 HydrophobicContact CD1-CG 3.61Å; L396-E587 HydrophobicContact CD2-CG 4.38Å; K464-E587 IonicContact NZ-OE1 3.16Å; K464-E587 IonicContact NZ-OE2 3.95Å; K464-E587 PolarHBondContact NZ-OE2 3.14Å; I584-E587 PolarHBondContact O-N 2.98Å; L585-E587 VanDerWaalsContact C-N 3.29Å; L585-E587 PolarHBondContact O-N 3.42Å; E587-R591 WeakPolarHBondContact O-CD 3.41Å; E587-R591 WeakPolarHBondContact O-CG 3.33Å; E587-R591 PolarHBondContact O-N 3.21Å; E587-R591 IonicContact OE1-CZ 2.82Å; E587-R591 IonicContact OE1-NE 3.06Å; E587-R591 PolarHBondContact OE1-NE 3.14Å; E587-R591 IonicContact OE1-NH2 3.37Å; E587-R591 PolarHBondContact OE1-NH2 2.95Å
588	V	88.2	Confident	82.4	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.6	-48.4	178.2	173.4	0	0	0	0	111.1	L396 A399 A400 M403 M581 I584 L585 V590 R591 V592	L396-V588 HydrophobicContact CD1-CG2 3.64Å; A399-V588 HydrophobicContact CB-CG2 3.69Å; A400-V588 HydrophobicContact CB-CG1 4.08Å; M403-V588 HydrophobicContact CG-CG1 4.2Å; M403-V588 HydrophobicContact SD-CG1 3.52Å; M403-V588 VanDerWaalsContact SD-CG1 3.52Å; M581-V588 HydrophobicContact SD-CB 4.42Å; M581-V588 HydrophobicContact SD-CG1 4.12Å; I584-V588 HydrophobicContact CD1-CG2 3.83Å; I584-V588 PolarHBondContact O-N 3.44Å; L585-V588 PolarHBondContact O-N 3.03Å; L585-V588 VanDerWaalsContact O-N 3.17Å; V588-V590 PolarHBondContact O-N 2.89Å; V588-R591 PolarHBondContact O-N 2.81Å; V588-V592 HydrophobicContact CG1-CG2 4.13Å; V588-V592 WeakPolarHBondContact O-CG2 3.37Å; V588-V592 PolarHBondContact O-N 3.02Å
589	I	91.9	Very high	79.7	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-56.4	-52	-178.2	-66.8	-59.3	0	0	0	110.4	M403 L458 L554 L585 G586 R591 V592 L593	M403-I589 HydrophobicContact CE-CD1 3.37Å; M403-I589 HydrophobicContact SD-CD1 3.85Å; L458-I589 HydrophobicContact CD1-CB 3.79Å; L458-I589 HydrophobicContact CD1-CG1 4Å; L458-I589 HydrophobicContact CD1-CG2 3.76Å; L554-I589 HydrophobicContact CD1-CD1 3.98Å; L554-I589 HydrophobicContact CD1-CG1 4.18Å; L554-I589 HydrophobicContact CD1-CG2 4Å; L554-I589 HydrophobicContact CD2-CD1 4Å; L585-I589 HydrophobicContact CD1-CD1 3.99Å; L585-I589 HydrophobicContact CD1-CG1 3.67Å; L585-I589 HydrophobicContact CG-CG1 4.23Å; L585-I589 WeakPolarHBondContact O-CG1 3.47Å; L585-I589 PolarHBondContact O-N 2.99Å; G586-I589 PolarHBondContact O-N 3.27Å; I589-R591 PolarHBondContact O-N 2.87Å; I589-V592 PolarHBondContact O-N 3.14Å; I589-L593 HydrophobicContact CG2-CD1 3.79Å; I589-L593 HydrophobicContact CG2-CG 4.06Å; I589-L593 WeakPolarHBondContact O-CB 3.36Å; I589-L593 VanDerWaalsContact O-CG 3.26Å; I589-L593 WeakPolarHBondContact O-CG 3.36Å; I589-L593 PolarHBondContact O-N 3.16Å
590	V	90	Very high	77	Confident	4 Å²	4	34.3 Å²	34.3	2%	0.024	18%	0.179	C	C	.	.	H	α-helix	trans	-54.7	-43.7	-178.4	169	0	0	0	0	111.7	A461 L462 K464 I465 G586 V588 I594	A461-V590 HydrophobicContact CB-CG2 3.68Å; A461-V590 VanDerWaalsContact O-CG2 3.27Å; A461-V590 WeakPolarHBondContact O-CG2 3.23Å; L462-V590 HydrophobicContact CD2-CG2 4.22Å; K464-V590 HydrophobicContact CB-CG1 4.34Å; I465-V590 HydrophobicContact CB-CG1 4.47Å; I465-V590 HydrophobicContact CD1-CG1 4.29Å; I465-V590 HydrophobicContact CG1-CG1 4.23Å; I465-V590 HydrophobicContact CG2-CG1 3.51Å; G586-V590 VanDerWaalsContact O-CG2 3.31Å; G586-V590 WeakPolarHBondContact O-CG2 3.29Å; G586-V590 PolarHBondContact O-N 3.48Å; V588-V590 PolarHBondContact O-N 2.89Å; V590-I594 HydrophobicContact CG1-CD1 4.46Å; V590-I594 WeakPolarHBondContact O-CD1 3.13Å; V590-I594 VanDerWaalsContact O-CG1 3.29Å; V590-I594 WeakPolarHBondContact O-CG1 3.39Å; V590-I594 PolarHBondContact O-N 3.38Å
591	R	86.8	Confident	74.6	Confident	76 Å²	76	39.6 Å²	39.6	29%	0.287	20%	0.202	S	C	.	.	H	α-helix	trans	-77	-33.9	-175.2	-65.2	175	174.2	-99	1.9	113.3	E587 V588 I589 I594 G595 W630	E587-R591 WeakPolarHBondContact O-CD 3.41Å; E587-R591 WeakPolarHBondContact O-CG 3.33Å; E587-R591 PolarHBondContact O-N 3.21Å; E587-R591 IonicContact OE1-CZ 2.82Å; E587-R591 IonicContact OE1-NE 3.06Å; E587-R591 PolarHBondContact OE1-NE 3.14Å; E587-R591 IonicContact OE1-NH2 3.37Å; E587-R591 PolarHBondContact OE1-NH2 2.95Å; V588-R591 PolarHBondContact O-N 2.81Å; I589-R591 PolarHBondContact O-N 2.87Å; R591-I594 WeakPolarHBondContact O-CG1 3.33Å; R591-G595 PolarHBondContact O-N 3.13Å; R591-W630 HydrophobicContact CB-CD2 3.58Å; R591-W630 HydrophobicContact CB-CE3 3.22Å; R591-W630 HydrophobicContact CB-CG 4.34Å; R591-W630 HydrophobicContact CB-CH2 4.05Å; R591-W630 HydrophobicContact CB-CZ2 4.32Å; R591-W630 HydrophobicContact CB-CZ3 3.47Å; R591-W630 VanDerWaalsContact CB-CZ3 3.47Å; R591-W630 HydrophobicContact CG-CD2 4.44Å; R591-W630 HydrophobicContact CG-CE3 4.23Å; R591-W630 HydrophobicContact CG-CH2 4.21Å; R591-W630 HydrophobicContact CG-CZ2 4.38Å; R591-W630 HydrophobicContact CG-CZ3 4.1Å
592	V	90.4	Very high	72.4	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.012	21%	0.211	C	C	.	.	H	α-helix	trans	-67.4	-45.9	172	169.5	0	0	0	0	109.9	M403 F576 V588 I589 I594 G595 W630 P632 Y688	M403-V592 HydrophobicContact SD-CB 4.21Å; M403-V592 HydrophobicContact SD-CG1 4.32Å; M403-V592 HydrophobicContact SD-CG2 3.87Å; F576-V592 HydrophobicContact CE1-CG1 3.65Å; F576-V592 HydrophobicContact CE2-CG1 4.4Å; F576-V592 HydrophobicContact CZ-CG1 3.52Å; V588-V592 HydrophobicContact CG1-CG2 4.13Å; V588-V592 WeakPolarHBondContact O-CG2 3.37Å; V588-V592 PolarHBondContact O-N 3.02Å; I589-V592 PolarHBondContact O-N 3.14Å; V592-I594 VanDerWaalsContact C-N 3.32Å; V592-I594 PolarHBondContact O-N 3.18Å; V592-G595 PolarHBondContact O-N 2.93Å; V592-G595 VanDerWaalsContact O-N 3.1Å; V592-W630 HydrophobicContact CG2-CE3 4.48Å; V592-P632 HydrophobicContact CG1-CG 4Å; V592-Y688 WeakPolarHBondContact O-CE2 3.16Å; V592-Y688 PolarHBondContact O-OH 3.25Å
593	L	92.5	Very high	70.1	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-55.6	-44.5	179.8	-72.8	179.7	0	0	0	112.9	L413 P414 I415 L462 I465 I502 V552 F576 I589	L413-L593 HydrophobicContact CD1-CD2 3.78Å; L413-L593 HydrophobicContact CD2-CD2 4.04Å; P414-L593 CarbonylContact C-O 3.54Å; P414-L593 VanDerWaalsContact CA-O 3.3Å; P414-L593 WeakPolarHBondContact CA-O 3.44Å; I415-L593 HydrophobicContact CD1-CB 4.12Å; I415-L593 PolarHBondContact N-O 3.25Å; L462-L593 HydrophobicContact CD2-CD1 4.16Å; I465-L593 HydrophobicContact CD1-CD1 4.25Å; I502-L593 HydrophobicContact CD1-CD1 3.94Å; V552-L593 HydrophobicContact CG1-CD2 4.09Å; F576-L593 HydrophobicContact CE2-CD2 4.27Å; I589-L593 HydrophobicContact CG2-CD1 3.79Å; I589-L593 HydrophobicContact CG2-CG 4.06Å; I589-L593 WeakPolarHBondContact O-CB 3.36Å; I589-L593 VanDerWaalsContact O-CG 3.26Å; I589-L593 WeakPolarHBondContact O-CG 3.36Å; I589-L593 PolarHBondContact O-N 3.16Å
594	I	87.3	Confident	68	Low	13 Å²	13	52.4 Å²	52.4	7%	0.067	26%	0.263	C	S	.	.	H	α-helix	trans	-84.3	-10.6	-178.9	64.1	-165.8	0	0	0	114	P414 I415 T417 I465 V590 R591 V592 P597	P414-I594 VanDerWaalsContact CB-C 3.47Å; P414-I594 WeakPolarHBondContact CB-O 3.48Å; I415-I594 HydrophobicContact CB-CG2 4.48Å; T417-I594 HydrophobicContact CG2-CB 4.38Å; T417-I594 HydrophobicContact CG2-CG2 4.5Å; I465-I594 HydrophobicContact CB-CG2 4.29Å; I465-I594 HydrophobicContact CD1-CG2 4.17Å; I465-I594 HydrophobicContact CG2-CD1 4.12Å; I465-I594 HydrophobicContact CG2-CG2 3.67Å; V590-I594 HydrophobicContact CG1-CD1 4.46Å; V590-I594 WeakPolarHBondContact O-CD1 3.13Å; V590-I594 VanDerWaalsContact O-CG1 3.29Å; V590-I594 WeakPolarHBondContact O-CG1 3.39Å; V590-I594 PolarHBondContact O-N 3.38Å; R591-I594 WeakPolarHBondContact O-CG1 3.33Å; V592-I594 VanDerWaalsContact C-N 3.32Å; V592-I594 PolarHBondContact O-N 3.18Å; I594-P597 HydrophobicContact CD1-CB 3.82Å; I594-P597 HydrophobicContact CD1-CG 3.46Å; I594-P597 VanDerWaalsContact CD1-CG 3.46Å; I594-P597 HydrophobicContact CG1-CB 4.27Å; I594-P597 HydrophobicContact CG1-CG 4.07Å
595	G	77.7	Confident	65.7	Low	13 Å²	13	53.9 Å²	53.9	13%	0.134	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	93.1	-177.7	0	0	0	0	0	113.9	R591 V592	R591-G595 PolarHBondContact O-N 3.13Å; V592-G595 PolarHBondContact O-N 2.93Å; V592-G595 VanDerWaalsContact O-N 3.1Å
596	N	67	Low	63	Low	60 Å²	60	58.6 Å²	58.6	32%	0.321	31%	0.31	S	S	.	.			trans	42.7	84.4	178.1	-169.1	17.1	0	0	0	116.1	G598 W630	N596-G598 PolarHBondContact O-N 3.23Å; N596-G598 VanDerWaalsContact O-N 3.14Å; N596-G598 PolarHBondContact OD1-N 3.31Å; N596-W630 HydrophobicContact CB-CB 4.36Å
597	P	49.8	Very low	60.5	Low	75 Å²	75	63.4 Å²	63.4	49%	0.487	34%	0.335	S	S	.	.			trans	-78.6	12.9	175.9	37.9	-39.3	0	0	0	113.8	I594	I594-P597 HydrophobicContact CD1-CB 3.82Å; I594-P597 HydrophobicContact CD1-CG 3.46Å; I594-P597 VanDerWaalsContact CD1-CG 3.46Å; I594-P597 HydrophobicContact CG1-CB 4.27Å; I594-P597 HydrophobicContact CG1-CG 4.07Å
598	G	43.8	Very low	58.1	Low	40 Å²	40	69 Å²	69	41%	0.412	37%	0.365	S	S	.	.	S	Bend	trans	-102.3	138.8	-174	0	0	0	0	0	113.9	N596 Q600	N596-G598 PolarHBondContact O-N 3.23Å; N596-G598 VanDerWaalsContact O-N 3.14Å; N596-G598 PolarHBondContact OD1-N 3.31Å; G598-Q600 PolarHBondContact O-N 3.29Å
599	K	38.3	Very low	55.4	Low	194 Å²	194	80.4 Å²	80.4	84%	0.843	41%	0.408	S	S	*	.	S	Bend	trans	-53.9	101.6	169.3	-74.2	-178.3	177	178	0	110.1
600	Q	37	Very low	52.8	Low	156 Å²	156	85.6 Å²	85.6	73%	0.729	44%	0.436	S	S	*	.	S	Bend	trans	29.7	106.3	162.5	-96.3	-179	-15.1	0	0	116.6	G598	G598-Q600 PolarHBondContact O-N 3.29Å
601	F	40.1	Very low	50.3	Low	112 Å²	112	89.4 Å²	89.4	49%	0.491	46%	0.456	S	S	.	.	S	Bend	trans	73.1	91.8	165.4	-48.6	-77.7	0	0	0	116.6	Y628	F601-Y628 WeakPolarHBondContact CD1-OH 3.42Å; F601-Y628 WeakPolarHBondContact CE1-OH 3.49Å
602	G	37.4	Very low	48	Very low	20 Å²	20	90.4 Å²	90.4	21%	0.206	47%	0.472	C	S	.	.	S	Bend	trans	75.7	164.5	156.1	0	0	0	0	0	117	D625	G602-D625 VanDerWaalsContact CA-O 3.31Å; G602-D625 WeakPolarHBondContact CA-O 3.23Å
603	P	32.9	Very low	45.5	Very low	50 Å²	50	97.6 Å²	97.6	33%	0.325	51%	0.506	S	S	.	.			trans	-67.5	134.7	169.5	28.1	-32.6	0	0	0	111.4	A605 I624	P603-A605 PolarHBondContact O-N 2.89Å; P603-I624 WeakPolarHBondContact CD-O 3.27Å; P603-I624 HydrophobicContact CG-CG2 3.98Å; P603-I624 WeakPolarHBondContact CG-O 3.27Å
604	Y	35.4	Very low	43.1	Very low	220 Å²	220	100.7 Å²	100.7	86%	0.863	52%	0.522	S	S	*	.	S	Bend	trans	-66.3	6.8	-176.5	-101.4	-93.5	0	0	0	116.4
605	A	31.8	Very low	40.8	Very low	58 Å²	58	102.4 Å²	102.4	48%	0.479	54%	0.535	S	S	.	.	S	Bend	trans	-158.5	136.2	176.3	0	0	0	0	0	112.2	P603 L607	P603-A605 PolarHBondContact O-N 2.89Å; A605-L607 PolarHBondContact O-N 3.42Å
606	P	31.3	Very low	38.7	Very low	100 Å²	100	108.3 Å²	108.3	65%	0.649	56%	0.559	S	S	*	*			trans	-59.7	128.7	165	23.6	-29.9	0	0	0	108.6	L608	P606-L608 PolarHBondContact O-N 2.96Å
607	L	36.6	Very low	37.4	Very low	102 Å²	102	106.5 Å²	106.5	53%	0.534	55%	0.549	S	S	.	.	S	Bend	trans	-68.1	0.7	-167.8	-110.5	174.1	0	0	0	115.2	A605	A605-L607 PolarHBondContact O-N 3.42Å
608	L	34.2	Very low	36.7	Very low	151 Å²	151	103.4 Å²	103.4	79%	0.791	53%	0.531	S	S	*	.	S	Bend	trans	-176.6	150.6	164.4	-95.3	138.7	0	0	0	109.8	P606 L610	P606-L608 PolarHBondContact O-N 2.96Å; L608-L610 PolarHBondContact O-N 2.89Å
609	R	30.9	Very low	36.2	Very low	240 Å²	240	110 Å²	110	91%	0.906	55%	0.553	S	S	*	*			trans	-60.2	132.2	161	-76.6	-176.5	-177	-177.3	1.4	107.7	D611	R609-D611 PolarHBondContact O-N 2.84Å
610	L	36.9	Very low	36.4	Very low	111 Å²	111	103.3 Å²	103.3	58%	0.581	52%	0.523	S	S	*	.			trans	-40.8	124.8	170.7	-68.9	156.3	0	0	0	109.4	L608 P612	L608-L610 PolarHBondContact O-N 2.89Å; L610-P612 VanDerWaalsContact O-CD 3.23Å; L610-P612 WeakPolarHBondContact O-CD 3.24Å
611	D	39.1	Very low	36.3	Very low	83 Å²	83	99.1 Å²	99.1	44%	0.444	52%	0.521	S	S	.	.			trans	-58.9	116.7	156.6	-176.9	-19.5	0	0	0	106	R609 E613 L614 S615	R609-D611 PolarHBondContact O-N 2.84Å; D611-E613 PolarHBondContact O-N 2.78Å; D611-E613 VanDerWaalsContact O-N 3.17Å; D611-E613 PolarHBondContact OD1-N 2.93Å; D611-L614 HydrophobicContact CB-CB 4.16Å; D611-L614 HydrophobicContact CB-CD1 4.19Å; D611-L614 HydrophobicContact CB-CG 4.28Å; D611-L614 CarbonylContact O-C 3.56Å; D611-L614 PolarHBondContact O-N 2.86Å; D611-S615 PolarHBondContact O-N 2.61Å
612	P	37.6	Very low	36.1	Very low	97 Å²	97	95.1 Å²	95.1	63%	0.63	51%	0.506	S	S	*	.	H	α-helix	trans	-56.3	-31.8	-177.7	-22.9	33.4	0	0	0	112.3	L610 L614 S615	L610-P612 VanDerWaalsContact O-CD 3.23Å; L610-P612 WeakPolarHBondContact O-CD 3.24Å; P612-L614 VanDerWaalsContact C-N 3.35Å; P612-S615 WeakPolarHBondContact CA-OG 3.42Å; P612-S615 WeakPolarHBondContact O-CB 3.25Å; P612-S615 PolarHBondContact O-N 2.79Å; P612-S615 PolarHBondContact O-OG 2.97Å
613	E	38.5	Very low	36.2	Very low	154 Å²	154	98.5 Å²	98.5	72%	0.72	52%	0.519	S	S	*	.	H	α-helix	trans	-71.6	-30.7	179.6	-64.2	-172.9	174.3	0	0	112.1	D611	D611-E613 PolarHBondContact O-N 2.78Å; D611-E613 VanDerWaalsContact O-N 3.17Å; D611-E613 PolarHBondContact OD1-N 2.93Å
614	L	41.7	Very low	36.6	Very low	66 Å²	66	98.1 Å²	98.1	35%	0.346	51%	0.514	S	S	.	.	H	α-helix	trans	-89.9	-14.2	172.6	-63.4	174.7	0	0	0	113.1	L380 D611 P612 E616 I617 G618	L380-L614 HydrophobicContact CD2-CD2 4.27Å; D611-L614 HydrophobicContact CB-CB 4.16Å; D611-L614 HydrophobicContact CB-CD1 4.19Å; D611-L614 HydrophobicContact CB-CG 4.28Å; D611-L614 CarbonylContact O-C 3.56Å; D611-L614 PolarHBondContact O-N 2.86Å; P612-L614 VanDerWaalsContact C-N 3.35Å; L614-E616 VanDerWaalsContact C-N 3.26Å; L614-E616 PolarHBondContact O-N 2.81Å; L614-I617 HydrophobicContact CD2-CD1 4.31Å; L614-I617 CarbonylContact O-C 3.39Å; L614-I617 WeakPolarHBondContact O-CA 3.33Å; L614-I617 PolarHBondContact O-N 3.31Å; L614-G618 PolarHBondContact O-N 2.92Å
615	S	38	Very low	36.9	Very low	48 Å²	48	91.6 Å²	91.6	34%	0.336	49%	0.494	S	S	.	.	H	α-helix	trans	-65.2	-30.6	178.1	78.8	0	0	0	0	112.4	D611 P612 I617 G618	D611-S615 PolarHBondContact O-N 2.61Å; P612-S615 WeakPolarHBondContact CA-OG 3.42Å; P612-S615 WeakPolarHBondContact O-CB 3.25Å; P612-S615 PolarHBondContact O-N 2.79Å; P612-S615 PolarHBondContact O-OG 2.97Å; S615-I617 VanDerWaalsContact C-N 3.3Å; S615-G618 PolarHBondContact O-N 2.95Å
616	E	35.2	Very low	37.9	Very low	137 Å²	137	90.6 Å²	90.6	64%	0.64	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-14	173.6	-58.9	-172.9	151.9	0	0	113.1	R200 L614	R200-E616 IonicContact CZ-OE2 3.71Å; R200-E616 IonicContact NH1-OE2 3.85Å; R200-E616 IonicContact NH2-OE2 2.83Å; R200-E616 PolarHBondContact NH2-OE2 3.49Å; L614-E616 VanDerWaalsContact C-N 3.26Å; L614-E616 PolarHBondContact O-N 2.81Å
617	I	39.4	Very low	39.4	Very low	22 Å²	22	86.2 Å²	86.2	11%	0.113	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-15.4	172	-62	176.1	0	0	0	110.6	F113 Y377 L614 S615	F113-I617 HydrophobicContact CZ-CG2 4.02Å; Y377-I617 HydrophobicContact CE1-CD1 4.39Å; L614-I617 HydrophobicContact CD2-CD1 4.31Å; L614-I617 CarbonylContact O-C 3.39Å; L614-I617 WeakPolarHBondContact O-CA 3.33Å; L614-I617 PolarHBondContact O-N 3.31Å; S615-I617 VanDerWaalsContact C-N 3.3Å
618	G	35.3	Very low	41	Very low	11 Å²	11	81.9 Å²	81.9	11%	0.113	43%	0.429	C	S	.	.			trans	-125.4	79.9	-164.8	0	0	0	0	0	114	L614 S615 W620	L614-G618 PolarHBondContact O-N 2.92Å; S615-G618 PolarHBondContact O-N 2.95Å; G618-W620 PolarHBondContact O-N 2.81Å
619	M	33.5	Very low	43	Very low	178 Å²	178	75.2 Å²	75.2	88%	0.877	39%	0.393	S	S	*	.			trans	-71.4	64.3	149.6	-71.8	-171.3	68.5	0	0	109	G621	M619-G621 VanDerWaalsContact C-N 3.27Å; M619-G621 PolarHBondContact O-N 2.84Å
620	W	40.8	Very low	45.6	Very low	53 Å²	53	64.3 Å²	64.3	20%	0.201	35%	0.352	C	S	.	.			trans	-72.9	87.6	172	-67	94.6	0	0	0	108.3	K110 F113 R390 G618 T622	K110-W620 HydrophobicContact CG-CZ3 4.44Å; F113-W620 AromaticContact CD1-CH2 3.69Å; F113-W620 HydrophobicContact CD1-CH2 3.69Å; F113-W620 AromaticContact CD1-CZ2 3.66Å; F113-W620 HydrophobicContact CD1-CZ2 3.66Å; F113-W620 HydrophobicContact CE1-CH2 4.04Å; F113-W620 AromaticContact CE1-CZ2 3.49Å; F113-W620 HydrophobicContact CE1-CZ2 3.49Å; F113-W620 VanDerWaalsContact CE1-CZ2 3.49Å; R390-W620 VanDerWaalsContact CZ-CD2 3.43Å; R390-W620 VanDerWaalsContact CZ-CE2 3.48Å; G618-W620 PolarHBondContact O-N 2.81Å; W620-T622 HydrophobicContact CE3-CG2 4.18Å; W620-T622 PolarHBondContact O-N 2.9Å
621	G	35	Very low	48.2	Very low	68 Å²	68	59.4 Å²	59.4	70%	0.701	33%	0.327	S	S	*	.			trans	-69.7	27.9	164.1	0	0	0	0	0	113	M619 D623	M619-G621 VanDerWaalsContact C-N 3.27Å; M619-G621 PolarHBondContact O-N 2.84Å; G621-D623 VanDerWaalsContact C-N 3.32Å; G621-D623 PolarHBondContact O-N 2.9Å
622	T	37	Very low	50.8	Low	29 Å²	29	55.6 Å²	55.6	18%	0.178	31%	0.306	C	S	.	.			trans	-71.6	98.9	164.3	49	0	0	0	0	105.8	K110 W620 I624	K110-T622 HydrophobicContact CD-CG2 3.98Å; W620-T622 HydrophobicContact CE3-CG2 4.18Å; W620-T622 PolarHBondContact O-N 2.9Å; T622-I624 PolarHBondContact O-N 2.91Å
623	D	39.3	Very low	53.5	Low	90 Å²	90	51.1 Å²	51.1	48%	0.481	28%	0.277	S	S	.	.			trans	-63.1	91.2	156.2	-152.6	-0.6	0	0	0	105.2	G621 D625 E626	G621-D623 VanDerWaalsContact C-N 3.32Å; G621-D623 PolarHBondContact O-N 2.9Å; D623-D625 PolarHBondContact O-N 2.8Å; D623-E626 WeakPolarHBondContact O-CB 3.27Å; D623-E626 VanDerWaalsContact O-CG 3.26Å; D623-E626 WeakPolarHBondContact O-CG 3.11Å; D623-E626 PolarHBondContact O-N 3.25Å
624	I	42.2	Very low	56.4	Low	43 Å²	43	43.8 Å²	43.8	22%	0.221	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-4	-178.6	-66.3	159.7	0	0	0	110	Y393 P603 T622 E626	Y393-I624 HydrophobicContact CE1-CG2 4.24Å; P603-I624 WeakPolarHBondContact CD-O 3.27Å; P603-I624 HydrophobicContact CG-CG2 3.98Å; P603-I624 WeakPolarHBondContact CG-O 3.27Å; T622-I624 PolarHBondContact O-N 2.91Å; I624-E626 PolarHBondContact O-N 2.68Å
625	D	40.5	Very low	59.1	Low	83 Å²	83	40.9 Å²	40.9	44%	0.444	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	3.7	174.6	-64.2	-8.5	0	0	0	114.2	G602 D623 G627	G602-D625 VanDerWaalsContact CA-O 3.31Å; G602-D625 WeakPolarHBondContact CA-O 3.23Å; D623-D625 PolarHBondContact O-N 2.8Å; D625-G627 PolarHBondContact O-N 2.76Å
626	E	53.2	Low	62	Low	37 Å²	37	38.6 Å²	38.6	17%	0.173	21%	0.212	C	C	.	.			trans	-71.4	51.9	-170.6	-91.5	176.6	-140.9	0	0	115.8	K401 D623 I624 Y628 W629	K401-E626 IonicContact NZ-OE2 3.49Å; K401-E626 PolarHBondContact NZ-OE2 3.18Å; D623-E626 WeakPolarHBondContact O-CB 3.27Å; D623-E626 VanDerWaalsContact O-CG 3.26Å; D623-E626 WeakPolarHBondContact O-CG 3.11Å; D623-E626 PolarHBondContact O-N 3.25Å; I624-E626 PolarHBondContact O-N 2.68Å; E626-Y628 PolarHBondContact O-N 3.31Å; E626-W629 HydrophobicContact CB-CE3 3.58Å; E626-W629 HydrophobicContact CB-CH2 3.73Å; E626-W629 HydrophobicContact CB-CZ3 3.04Å; E626-W629 HydrophobicContact CG-CZ3 4.35Å; E626-W629 WeakPolarHBondContact O-CH2 3.26Å; E626-W629 VanDerWaalsContact O-CZ2 3.26Å; E626-W629 WeakPolarHBondContact O-CZ2 3.42Å; E626-W629 WeakPolarHBondContact O-CZ3 3.19Å
627	G	61.8	Low	65	Low	7 Å²	7	32 Å²	32	7%	0.072	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	12.4	-177.9	0	0	0	0	0	119.9	D625	D625-G627 PolarHBondContact O-N 2.76Å
628	Y	70.5	Confident	67.8	Low	12 Å²	12	31 Å²	31	5%	0.047	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-17.9	-170.9	-55.3	-80.4	0	0	0	115.2	F601 E626 W630 I631 A729 R770 D772	F601-Y628 WeakPolarHBondContact CD1-OH 3.42Å; F601-Y628 WeakPolarHBondContact CE1-OH 3.49Å; E626-Y628 PolarHBondContact O-N 3.31Å; Y628-W630 PolarHBondContact O-N 2.87Å; Y628-I631 WeakPolarHBondContact O-CB 3.45Å; Y628-I631 PolarHBondContact O-N 2.88Å; Y628-A729 HydrophobicContact CD1-CB 4.11Å; Y628-A729 WeakPolarHBondContact CD1-O 3.47Å; Y628-A729 HydrophobicContact CE1-CB 3.46Å; Y628-A729 VanDerWaalsContact CE1-CB 3.46Å; Y628-R770 HydrophobicContact CD2-CG 4.1Å; Y628-R770 HydrophobicContact CE2-CG 4.1Å; Y628-R770 VanDerWaalsContact CE2-NH1 3.33Å; Y628-R770 HydrophobicContact CG-CG 4.37Å; Y628-R770 PolarHBondContact OH-NE 3.42Å; Y628-R770 PolarHBondContact OH-NH2 3.27Å; Y628-D772 PolarHBondContact OH-OD1 2.81Å
629	W	76.2	Confident	70.7	Confident	10 Å²	10	30.5 Å²	30.5	4%	0.038	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-11.2	-174.7	48.2	66.7	0	0	0	113.9	Y393 V397 A400 K401 E626 I631	Y393-W629 WeakPolarHBondContact OH-CH2 3.47Å; Y393-W629 WeakPolarHBondContact OH-CZ2 3.44Å; V397-W629 HydrophobicContact CB-CD2 4.43Å; V397-W629 HydrophobicContact CB-CE3 4.23Å; V397-W629 HydrophobicContact CG1-CB 4.47Å; V397-W629 HydrophobicContact CG1-CD2 3.93Å; V397-W629 HydrophobicContact CG1-CE3 3.43Å; V397-W629 VanDerWaalsContact CG1-CE3 3.43Å; V397-W629 HydrophobicContact CG1-CG 4.28Å; V397-W629 HydrophobicContact CG1-CZ3 4.05Å; V397-W629 HydrophobicContact CG2-CD2 3.91Å; V397-W629 HydrophobicContact CG2-CE3 3.79Å; V397-W629 HydrophobicContact CG2-CH2 4.28Å; V397-W629 HydrophobicContact CG2-CZ2 4.36Å; V397-W629 HydrophobicContact CG2-CZ3 3.87Å; A400-W629 HydrophobicContact CB-CB 4.27Å; A400-W629 WeakPolarHBondContact CB-O 3.35Å; K401-W629 HydrophobicContact CG-CB 3.76Å; E626-W629 HydrophobicContact CB-CE3 3.58Å; E626-W629 HydrophobicContact CB-CH2 3.73Å; E626-W629 HydrophobicContact CB-CZ3 3.04Å; E626-W629 HydrophobicContact CG-CZ3 4.35Å; E626-W629 WeakPolarHBondContact O-CH2 3.26Å; E626-W629 VanDerWaalsContact O-CZ2 3.26Å; E626-W629 WeakPolarHBondContact O-CZ2 3.42Å; E626-W629 WeakPolarHBondContact O-CZ3 3.19Å; W629-I631 VanDerWaalsContact C-N 3.26Å
630	W	85.7	Confident	73.7	Confident	12 Å²	12	22 Å²	22	5%	0.045	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-10.2	170.6	-50.9	126.2	0	0	0	113.6	L396 A400 R591 V592 N596 Y628	L396-W630 HydrophobicContact CD1-CH2 4Å; L396-W630 HydrophobicContact CD1-CZ3 4.44Å; L396-W630 HydrophobicContact CD2-CH2 3.95Å; L396-W630 HydrophobicContact CD2-CZ2 4.49Å; L396-W630 HydrophobicContact CG-CH2 3.81Å; A400-W630 HydrophobicContact CB-CE3 3.91Å; A400-W630 HydrophobicContact CB-CH2 4.48Å; A400-W630 HydrophobicContact CB-CZ3 3.6Å; R591-W630 HydrophobicContact CB-CD2 3.58Å; R591-W630 HydrophobicContact CB-CE3 3.22Å; R591-W630 HydrophobicContact CB-CG 4.34Å; R591-W630 HydrophobicContact CB-CH2 4.05Å; R591-W630 HydrophobicContact CB-CZ2 4.32Å; R591-W630 HydrophobicContact CB-CZ3 3.47Å; R591-W630 VanDerWaalsContact CB-CZ3 3.47Å; R591-W630 HydrophobicContact CG-CD2 4.44Å; R591-W630 HydrophobicContact CG-CE3 4.23Å; R591-W630 HydrophobicContact CG-CH2 4.21Å; R591-W630 HydrophobicContact CG-CZ2 4.38Å; R591-W630 HydrophobicContact CG-CZ3 4.1Å; V592-W630 HydrophobicContact CG2-CE3 4.48Å; N596-W630 HydrophobicContact CB-CB 4.36Å; Y628-W630 PolarHBondContact O-N 2.87Å
631	I	91.1	Very high	76.3	Confident	8 Å²	8	19.7 Å²	19.7	4%	0.041	12%	0.12	C	C	.	.	S	Bend	trans	-96.6	118.7	174.7	-52.2	-57.7	0	0	0	108.1	Y628 W629 A633 Y688 I728 C730	Y628-I631 WeakPolarHBondContact O-CB 3.45Å; Y628-I631 PolarHBondContact O-N 2.88Å; W629-I631 VanDerWaalsContact C-N 3.26Å; I631-A633 PolarHBondContact O-N 3.34Å; I631-Y688 HydrophobicContact CD1-CD2 3.92Å; I631-Y688 HydrophobicContact CG2-CD2 4.33Å; I631-I728 HydrophobicContact CD1-CG2 4.22Å; I631-I728 HydrophobicContact CG1-CG2 4.34Å; I631-C730 HydrophobicContact CB-CB 4.29Å; I631-C730 HydrophobicContact CG2-CB 3.77Å
632	P	94.8	Very high	79	Confident	3 Å²	3	17.7 Å²	17.7	2%	0.019	10%	0.095	C	C	.	.			trans	-57	129.1	-178.8	-28.2	36.5	0	0	0	112.5	L405 F576 V592 S687 Y688	L405-P632 HydrophobicContact CB-CB 3.77Å; L405-P632 HydrophobicContact CB-CG 4.2Å; L405-P632 HydrophobicContact CD2-CB 4.27Å; L405-P632 HydrophobicContact CD2-CG 4.25Å; F576-P632 HydrophobicContact CE1-CG 3.86Å; F576-P632 HydrophobicContact CZ-CG 4.31Å; V592-P632 HydrophobicContact CG1-CG 4Å; P632-S687 VanDerWaalsContact O-CA 3.29Å; P632-S687 WeakPolarHBondContact O-CA 3.36Å; P632-S687 VanDerWaalsContact O-CB 3.23Å; P632-S687 WeakPolarHBondContact O-CB 3.46Å; P632-S687 PolarHBondContact O-OG 3.29Å; P632-Y688 VanDerWaalsContact CD-CD2 3.47Å; P632-Y688 HydrophobicContact CG-CD1 4.38Å; P632-Y688 HydrophobicContact CG-CD2 4.43Å; P632-Y688 HydrophobicContact CG-CE1 3.89Å; P632-Y688 HydrophobicContact CG-CE2 3.95Å
633	A	95.1	Very high	81.6	Confident	2 Å²	2	17.7 Å²	17.7	2%	0.017	10%	0.096	C	C	.	.			trans	-144.1	2.6	175.1	0	0	0	0	0	112.5	I631 R635 E731 V733	I631-A633 PolarHBondContact O-N 3.34Å; A633-R635 PolarHBondContact O-NH1 3.21Å; A633-E731 HydrophobicContact CB-CB 3.82Å; A633-E731 WeakPolarHBondContact CB-O 3.48Å; A633-V733 VanDerWaalsContact O-CG2 3.22Å; A633-V733 WeakPolarHBondContact O-CG2 3.5Å
634	A	97.7	Very high	84.1	Confident	1 Å²	1	15 Å²	15	1%	0.008	8%	0.082	C	C	.	.			trans	-67.1	161.3	176.8	0	0	0	0	0	110.9	A101 K401 M403 V404	A101-A634 WeakPolarHBondContact O-CA 3.47Å; A101-A634 WeakPolarHBondContact O-CB 3.38Å; K401-A634 VanDerWaalsContact O-CB 3.31Å; K401-A634 WeakPolarHBondContact O-CB 3.47Å; M403-A634 VanDerWaalsContact C-CB 3.48Å; M403-A634 WeakPolarHBondContact O-CB 3.42Å; V404-A634 HydrophobicContact CG2-CB 3.74Å
635	R	98.5	Very high	86.5	Confident	4 Å²	4	19.8 Å²	19.8	2%	0.015	11%	0.108	C	C	.	.			trans	-134.2	145.4	-179.5	-55.4	-65.7	-179.7	-107.7	3	109.6	A101 F103 A633 P637 G683 Y684 G685 E732 V733 G811	A101-R635 WeakPolarHBondContact CA-O 3.49Å; A101-R635 WeakPolarHBondContact CB-O 3.5Å; A101-R635 PolarHBondContact O-N 2.92Å; F103-R635 HydrophobicContact CD2-CB 3.83Å; F103-R635 HydrophobicContact CD2-CG 4.49Å; F103-R635 HydrophobicContact CE2-CB 3.64Å; F103-R635 HydrophobicContact CZ-CB 4.25Å; A633-R635 PolarHBondContact O-NH1 3.21Å; R635-P637 WeakPolarHBondContact O-CD 3.3Å; R635-G683 WeakPolarHBondContact CD-O 3.4Å; R635-Y684 CarbonylContact C-O 3.56Å; R635-Y684 WeakPolarHBondContact CA-O 3.31Å; R635-G685 PolarHBondContact NH1-O 3.01Å; R635-E732 IonicContact CZ-OE1 3.69Å; R635-E732 VanDerWaalsContact NH2-CD 3.3Å; R635-E732 IonicContact NH2-OE1 3.37Å; R635-E732 PolarHBondContact NH2-OE1 2.8Å; R635-E732 IonicContact NH2-OE2 3.38Å; R635-E732 PolarHBondContact NH2-OE2 2.94Å; R635-V733 HydrophobicContact CG-CB 3.79Å; R635-V733 HydrophobicContact CG-CG1 3.87Å; R635-V733 HydrophobicContact CG-CG2 4.21Å; R635-G811 PolarHBondContact NE-O 3.46Å
636	L	98.6	Very high	88.9	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.109	C	C	.	.			trans	-61.2	124.8	176.9	-72	176	0	0	0	110.7	V404 L406 W577 F638 W640 Y680 G683 Y684	V404-L636 HydrophobicContact CB-CD2 4.38Å; V404-L636 HydrophobicContact CG1-CD2 4.2Å; V404-L636 HydrophobicContact CG1-CG 4.09Å; V404-L636 HydrophobicContact CG2-CD2 4.32Å; L406-L636 HydrophobicContact CD2-CD1 3.92Å; L406-L636 HydrophobicContact CD2-CD2 4.23Å; L406-L636 HydrophobicContact CD2-CG 4.15Å; W577-L636 HydrophobicContact CB-CD2 4.48Å; W577-L636 HydrophobicContact CD2-CD2 4.19Å; W577-L636 HydrophobicContact CE3-CD2 4.06Å; W577-L636 HydrophobicContact CG-CD2 4.41Å; L636-F638 WeakPolarHBondContact CB-O 3.36Å; L636-F638 HydrophobicContact CD2-CE2 4.36Å; L636-F638 HydrophobicContact CD2-CZ 4.1Å; L636-F638 PolarHBondContact O-N 3.38Å; L636-W640 HydrophobicContact CD1-CB 4.23Å; L636-W640 HydrophobicContact CD1-CE3 4.16Å; L636-W640 HydrophobicContact CD2-CE3 4.03Å; L636-W640 HydrophobicContact CD2-CZ3 4.29Å; L636-Y680 VanDerWaalsContact CD1-CB 3.45Å; L636-Y680 HydrophobicContact CD1-CG 4.38Å; L636-G683 PolarHBondContact O-N 3.15Å; L636-Y684 PolarHBondContact N-O 3.42Å
637	P	98.3	Very high	90.7	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-85.2	10.9	174.9	34.3	-32.4	0	0	0	112.5	I97 A100 A101 G161 E162 L166 R635 F682	I97-P637 HydrophobicContact CD1-CB 4.31Å; I97-P637 HydrophobicContact CD1-CG 3.67Å; I97-P637 HydrophobicContact CG1-CG 4Å; I97-P637 WeakPolarHBondContact O-CG 3.5Å; A100-P637 HydrophobicContact CB-CB 3.59Å; A100-P637 HydrophobicContact CB-CG 4.01Å; A101-P637 HydrophobicContact CB-CG 4.04Å; G161-P637 VanDerWaalsContact CA-O 3.3Å; G161-P637 WeakPolarHBondContact CA-O 3.32Å; E162-P637 PolarHBondContact N-O 2.77Å; L166-P637 HydrophobicContact CD2-CB 4.07Å; R635-P637 WeakPolarHBondContact O-CD 3.3Å; P637-F682 VanDerWaalsContact C-CD2 3.42Å; P637-F682 WeakPolarHBondContact O-CE2 3.37Å
638	F	98.1	Very high	92.2	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-148.9	162.3	176.7	56.8	-93.7	0	0	0	110.9	I97 L148 E162 P560 W577 L636 W640	I97-F638 HydrophobicContact CD1-CD1 4.06Å; I97-F638 HydrophobicContact CG1-CD1 4.16Å; I97-F638 HydrophobicContact CG1-CE1 4.14Å; L148-F638 HydrophobicContact CD1-CB 3.82Å; L148-F638 HydrophobicContact CD1-CD1 3.8Å; L148-F638 HydrophobicContact CD1-CG 3.86Å; L148-F638 HydrophobicContact CD2-CB 4.05Å; L148-F638 HydrophobicContact CG-CB 4.42Å; E162-F638 HydrophobicContact CG-CB 4.49Å; P560-F638 HydrophobicContact CG-CD2 3.82Å; P560-F638 HydrophobicContact CG-CE2 3.88Å; W577-F638 HydrophobicContact CD2-CZ 4.37Å; W577-F638 AromaticContact CE2-CE1 3.97Å; W577-F638 AromaticContact CE2-CZ 3.81Å; W577-F638 AromaticContact CH2-CE1 3.91Å; W577-F638 HydrophobicContact CH2-CE1 3.91Å; W577-F638 AromaticContact CZ2-CE1 3.56Å; W577-F638 HydrophobicContact CZ2-CE1 3.56Å; W577-F638 AromaticContact CZ2-CZ 3.9Å; W577-F638 HydrophobicContact CZ2-CZ 3.9Å; L636-F638 WeakPolarHBondContact CB-O 3.36Å; L636-F638 HydrophobicContact CD2-CE2 4.36Å; L636-F638 HydrophobicContact CD2-CZ 4.1Å; L636-F638 PolarHBondContact O-N 3.38Å; F638-W640 HydrophobicContact CE2-CD2 4.42Å; F638-W640 AromaticContact CE2-CE3 3.73Å; F638-W640 HydrophobicContact CE2-CE3 3.73Å; F638-W640 HydrophobicContact CE2-CZ3 4.21Å; F638-W640 HydrophobicContact CZ-CE3 4.17Å; F638-W640 HydrophobicContact CZ-CZ3 4.22Å
639	T	97.4	Very high	93.3	Very high	1 Å²	1	24 Å²	24	1%	0.006	13%	0.126	C	C	.	.			trans	-82.4	127.9	174.1	-65	0	0	0	0	110.3	E162 P560 Y641 Y660 L663 I678	E162-T639 WeakPolarHBondContact OE1-CB 3.48Å; E162-T639 PolarHBondContact OE1-N 3.41Å; E162-T639 PolarHBondContact OE1-OG1 2.83Å; E162-T639 PolarHBondContact OE2-N 2.82Å; P560-T639 VanDerWaalsContact CG-O 3.26Å; P560-T639 WeakPolarHBondContact CG-O 3.47Å; T639-Y641 HydrophobicContact CG2-CD1 4.08Å; T639-Y641 HydrophobicContact CG2-CE1 3.58Å; T639-Y641 HydrophobicContact CG2-CE2 4.29Å; T639-Y641 WeakPolarHBondContact O-CD2 3.18Å; T639-Y641 WeakPolarHBondContact O-CE2 3.43Å; T639-Y660 PolarHBondContact OG1-N 2.98Å; T639-L663 HydrophobicContact CG2-CD1 4.42Å; T639-I678 HydrophobicContact CG2-CD1 3.63Å; T639-I678 HydrophobicContact CG2-CG1 4.41Å; T639-I678 HydrophobicContact CG2-CG2 3.93Å
640	W	97	Very high	94.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	103.2	175.4	-157.1	-57.6	0	0	0	110.9	L406 V555 P560 I561 I563 W577 L636 F638 L679 Y680	L406-W640 HydrophobicContact CD1-CE3 4.4Å; L406-W640 HydrophobicContact CD1-CH2 4.26Å; L406-W640 HydrophobicContact CD1-CZ3 4.03Å; V555-W640 HydrophobicContact CG1-CH2 3.9Å; V555-W640 HydrophobicContact CG1-CZ2 4.3Å; P560-W640 HydrophobicContact CB-CD2 4.26Å; P560-W640 HydrophobicContact CB-CG 3.98Å; P560-W640 HydrophobicContact CG-CG 4.49Å; I561-W640 HydrophobicContact CG2-CH2 4.17Å; I561-W640 HydrophobicContact CG2-CZ2 3.61Å; I561-W640 WeakPolarHBondContact O-CZ2 3.46Å; I561-W640 PolarHBondContact O-NE1 3.2Å; I563-W640 HydrophobicContact CD1-CH2 4.46Å; I563-W640 HydrophobicContact CD1-CZ2 3.85Å; I563-W640 HydrophobicContact CG1-CZ2 4.19Å; W577-W640 HydrophobicContact CB-CH2 4.31Å; W577-W640 HydrophobicContact CB-CZ3 3.85Å; W577-W640 AromaticContact CD1-CH2 3.66Å; W577-W640 AromaticContact CD1-CZ3 3.45Å; W577-W640 VanDerWaalsContact CD1-CZ3 3.45Å; W577-W640 HydrophobicContact CG-CH2 4.21Å; W577-W640 AromaticContact CG-CZ3 3.67Å; W577-W640 HydrophobicContact CG-CZ3 3.67Å; L636-W640 HydrophobicContact CD1-CB 4.23Å; L636-W640 HydrophobicContact CD1-CE3 4.16Å; L636-W640 HydrophobicContact CD2-CE3 4.03Å; L636-W640 HydrophobicContact CD2-CZ3 4.29Å; F638-W640 HydrophobicContact CE2-CD2 4.42Å; F638-W640 AromaticContact CE2-CE3 3.73Å; F638-W640 HydrophobicContact CE2-CE3 3.73Å; F638-W640 HydrophobicContact CE2-CZ3 4.21Å; F638-W640 HydrophobicContact CZ-CE3 4.17Å; F638-W640 HydrophobicContact CZ-CZ3 4.22Å; W640-L679 HydrophobicContact CG-CB 4.45Å; W640-L679 PolarHBondContact O-N 2.87Å; W640-Y680 WeakPolarHBondContact CA-O 3.38Å; W640-Y680 HydrophobicContact CB-CD2 4.31Å; W640-Y680 WeakPolarHBondContact CB-O 3.03Å; W640-Y680 HydrophobicContact CD2-CD2 4.38Å; W640-Y680 HydrophobicContact CG-CD2 4.19Å; W640-Y680 PolarHBondContact N-O 3Å; W640-Y680 PolarHBondContact O-N 3.23Å; W640-Y680 VanDerWaalsContact O-N 3.15Å
641	Y	95	Very high	94.7	Very high	3 Å²	3	25.3 Å²	25.3	1%	0.012	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	145.4	178.2	-56.7	-73.1	0	0	0	112.1	P151 P560 T639 L647 T659 L663 I676 I678	P151-Y641 HydrophobicContact CG-CD2 4.33Å; P560-Y641 HydrophobicContact CG-CD2 4.26Å; T639-Y641 HydrophobicContact CG2-CD1 4.08Å; T639-Y641 HydrophobicContact CG2-CE1 3.58Å; T639-Y641 HydrophobicContact CG2-CE2 4.29Å; T639-Y641 WeakPolarHBondContact O-CD2 3.18Å; T639-Y641 WeakPolarHBondContact O-CE2 3.43Å; Y641-L647 HydrophobicContact CD1-CD1 3.81Å; Y641-L647 HydrophobicContact CD2-CD1 3.73Å; Y641-L647 HydrophobicContact CE1-CD1 4.09Å; Y641-L647 HydrophobicContact CE1-CD2 4.18Å; Y641-L647 HydrophobicContact CE2-CD1 4.01Å; Y641-L647 HydrophobicContact CE2-CD2 4.4Å; Y641-L647 HydrophobicContact CG-CD1 3.62Å; Y641-T659 WeakPolarHBondContact OH-CA 3.49Å; Y641-T659 PolarHBondContact OH-N 3.46Å; Y641-L663 HydrophobicContact CE1-CD2 3.92Å; Y641-I676 HydrophobicContact CD1-CG2 3.75Å; Y641-I676 HydrophobicContact CE1-CG2 3.9Å; Y641-I678 HydrophobicContact CD1-CD1 3.48Å; Y641-I678 VanDerWaalsContact CD1-CD1 3.48Å; Y641-I678 HydrophobicContact CE1-CD1 3.58Å
642	S	92	Very high	94.9	Very high	26 Å²	26	27.7 Å²	27.7	18%	0.182	15%	0.151	C	C	.	.	S	Bend	trans	-84.8	-26.8	167.5	-53.4	0	0	0	0	112.2	P677 L679	S642-P677 PolarHBondContact N-O 3.23Å; S642-L679 PolarHBondContact OG-N 2.89Å
643	S	91.7	Very high	94.9	Very high	29 Å²	29	27.8 Å²	27.8	20%	0.203	15%	0.151	C	C	.	.			trans	-149.1	154.3	175.2	165.5	0	0	0	0	110.2	D645	S643-D645 PolarHBondContact OG-N 2.95Å; S643-D645 PolarHBondContact OG-OD2 3.14Å
644	I	91.8	Very high	95	Very high	33 Å²	33	32.6 Å²	32.6	17%	0.169	17%	0.172	C	C	.	.			trans	-110	5.5	175.2	65.4	175.2	0	0	0	113.6	P151 L152 L521 E646 L647	P151-I644 HydrophobicContact CG-CG2 3.75Å; L152-I644 HydrophobicContact CD1-CD1 3.74Å; L152-I644 HydrophobicContact CD2-CD1 4.03Å; L152-I644 HydrophobicContact CG-CD1 4Å; L521-I644 HydrophobicContact CD1-CG2 3.49Å; L521-I644 VanDerWaalsContact CD1-CG2 3.49Å; L521-I644 HydrophobicContact CD2-CG2 3.81Å; L521-I644 HydrophobicContact CG-CG2 3.52Å; I644-E646 PolarHBondContact O-N 3.02Å; I644-L647 HydrophobicContact CB-CB 4.23Å; I644-L647 HydrophobicContact CB-CD1 3.83Å; I644-L647 HydrophobicContact CG2-CD1 3.56Å; I644-L647 WeakPolarHBondContact O-CB 3.29Å; I644-L647 PolarHBondContact O-N 2.82Å
645	D	91.7	Very high	94.8	Very high	144 Å²	144	32.9 Å²	32.9	77%	0.77	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-31	-172.6	-58.5	-36.5	0	0	0	113	S643	S643-D645 PolarHBondContact OG-N 2.95Å; S643-D645 PolarHBondContact OG-OD2 3.14Å
646	E	90.6	Very high	94.3	Very high	100 Å²	100	35.2 Å²	35.2	47%	0.467	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	3.3	179.3	-65.7	-78.2	166.2	0	0	112.6	I644 K675 I676	I644-E646 PolarHBondContact O-N 3.02Å; E646-K675 HydrophobicContact CG-CB 4.37Å; E646-I676 HydrophobicContact CB-CG1 3.9Å
647	L	92.1	Very high	93.9	Very high	16 Å²	16	38.3 Å²	38.3	8%	0.084	20%	0.204	C	C	.	.	S	Bend	trans	-73.8	148.9	171.8	-92	156.8	0	0	0	109.8	Y641 I644 H649 N657 Q658 I676	Y641-L647 HydrophobicContact CD1-CD1 3.81Å; Y641-L647 HydrophobicContact CD2-CD1 3.73Å; Y641-L647 HydrophobicContact CE1-CD1 4.09Å; Y641-L647 HydrophobicContact CE1-CD2 4.18Å; Y641-L647 HydrophobicContact CE2-CD1 4.01Å; Y641-L647 HydrophobicContact CE2-CD2 4.4Å; Y641-L647 HydrophobicContact CG-CD1 3.62Å; I644-L647 HydrophobicContact CB-CB 4.23Å; I644-L647 HydrophobicContact CB-CD1 3.83Å; I644-L647 HydrophobicContact CG2-CD1 3.56Å; I644-L647 WeakPolarHBondContact O-CB 3.29Å; I644-L647 PolarHBondContact O-N 2.82Å; L647-H649 PolarHBondContact O-N 3.13Å; L647-N657 WeakPolarHBondContact CD2-O 3.45Å; L647-Q658 HydrophobicContact CD2-CB 3.66Å; L647-I676 HydrophobicContact CD1-CG2 4.36Å; L647-I676 HydrophobicContact CD2-CG2 4.45Å; L647-I676 HydrophobicContact CG-CG2 3.94Å
648	A	92.3	Very high	93.4	Very high	15 Å²	15	38.3 Å²	38.3	12%	0.124	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-61.4	134.7	171.7	0	0	0	0	0	109.3	H150 V652	H150-A648 PolarHBondContact CD2-O 2.94Å; H150-A648 VanDerWaalsContact CD2-O 3.29Å; H150-A648 PolarHBondContact NE2-O 3.04Å; A648-V652 HydrophobicContact CB-CB 4.16Å; A648-V652 HydrophobicContact CB-CG1 4.13Å
649	H	93.7	Very high	93.3	Very high	96 Å²	96	38.4 Å²	38.4	44%	0.444	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-54.8	150	-179.8	-178.1	-92.9	0	0	0	111.4	L647 T651 V652	L647-H649 PolarHBondContact O-N 3.13Å; H649-T651 PolarHBondContact CE1-OG1 3Å; H649-T651 PolarHBondContact ND1-N 3.4Å; H649-T651 PolarHBondContact ND1-OG1 2.86Å; H649-T651 PolarHBondContact O-N 3.19Å; H649-V652 HydrophobicContact CB-CG2 4.17Å; H649-V652 WeakPolarHBondContact O-CB 3.26Å; H649-V652 PolarHBondContact O-N 2.88Å
650	I	94.9	Very high	93.2	Very high	7 Å²	7	38.7 Å²	38.7	4%	0.036	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-19.3	-176	-168	169.3	0	0	0	114	R149 H150 L152 W153 P219	R149-I650 PolarHBondContact NH2-O 3.47Å; H150-I650 HydrophobicContact CB-CG1 4.04Å; L152-I650 HydrophobicContact CB-CD1 4.18Å; W153-I650 HydrophobicContact CB-CD1 4.25Å; P219-I650 HydrophobicContact CB-CD1 4.36Å; P219-I650 HydrophobicContact CB-CG2 4.45Å
651	T	96	Very high	93.1	Very high	43 Å²	43	39.1 Å²	39.1	26%	0.264	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-8.2	174.8	59.4	0	0	0	0	114.4	P219 P223 V224 F229 H649 Y653	P219-T651 HydrophobicContact CG-CG2 4.22Å; P223-T651 HydrophobicContact CG-CG2 4.08Å; V224-T651 HydrophobicContact CG2-CG2 3.98Å; F229-T651 HydrophobicContact CE2-CG2 3.82Å; F229-T651 HydrophobicContact CZ-CG2 4.4Å; H649-T651 PolarHBondContact CE1-OG1 3Å; H649-T651 PolarHBondContact ND1-N 3.4Å; H649-T651 PolarHBondContact ND1-OG1 2.86Å; H649-T651 PolarHBondContact O-N 3.19Å; T651-Y653 PolarHBondContact O-N 2.9Å
652	V	95.6	Very high	93.1	Very high	59 Å²	59	40 Å²	40	36%	0.358	21%	0.211	S	C	.	.			trans	-90.1	106.1	-177.9	177.3	0	0	0	0	110.1	R149 A648 H649 K654	R149-V652 PolarHBondContact NH1-O 3.23Å; A648-V652 HydrophobicContact CB-CB 4.16Å; A648-V652 HydrophobicContact CB-CG1 4.13Å; H649-V652 HydrophobicContact CB-CG2 4.17Å; H649-V652 WeakPolarHBondContact O-CB 3.26Å; H649-V652 PolarHBondContact O-N 2.88Å; V652-K654 HydrophobicContact CG1-CB 4.21Å
653	Y	95.8	Very high	93.1	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.016	21%	0.207	C	C	.	.			trans	-88.7	-7.3	-176.1	-88.3	-112.5	0	0	0	114.8	R149 A215 S217 G218 F229 A231 D232 V233 Y242 T651 M655	R149-Y653 VanDerWaalsContact NH2-CE2 3.25Å; A215-Y653 HydrophobicContact CB-CD1 4.19Å; A215-Y653 HydrophobicContact CB-CE1 3.95Å; A215-Y653 WeakPolarHBondContact O-CE1 3.39Å; A215-Y653 PolarHBondContact O-OH 3.33Å; S217-Y653 PolarHBondContact N-OH 3.28Å; S217-Y653 VanDerWaalsContact N-OH 3.16Å; S217-Y653 PolarHBondContact O-OH 3.34Å; G218-Y653 VanDerWaalsContact CA-OH 3.23Å; G218-Y653 WeakPolarHBondContact CA-OH 3.11Å; G218-Y653 PolarHBondContact N-OH 3.37Å; F229-Y653 HydrophobicContact CD1-CE2 4.45Å; F229-Y653 HydrophobicContact CE1-CD2 4.05Å; F229-Y653 AromaticContact CE1-CE2 3.26Å; F229-Y653 HydrophobicContact CE1-CE2 3.26Å; F229-Y653 AromaticContact CE1-CZ 3.75Å; F229-Y653 HydrophobicContact CZ-CD2 4.01Å; F229-Y653 AromaticContact CZ-CE2 3.57Å; F229-Y653 HydrophobicContact CZ-CE2 3.57Å; A231-Y653 HydrophobicContact CB-CD1 3.99Å; A231-Y653 HydrophobicContact CB-CD2 4.23Å; A231-Y653 HydrophobicContact CB-CE1 3.94Å; A231-Y653 HydrophobicContact CB-CE2 4.18Å; A231-Y653 HydrophobicContact CB-CG 4.13Å; D232-Y653 WeakPolarHBondContact O-CB 3.33Å; V233-Y653 HydrophobicContact CG2-CD1 3.81Å; V233-Y653 HydrophobicContact CG2-CG 4.16Å; Y242-Y653 AromaticContact CE1-CD1 3.66Å; Y242-Y653 HydrophobicContact CE1-CD1 3.66Å; Y242-Y653 AromaticContact CE1-CE1 3.88Å; Y242-Y653 HydrophobicContact CE1-CE1 3.88Å; Y242-Y653 HydrophobicContact CE2-CD1 4.35Å; Y242-Y653 AromaticContact CZ-CD1 3.54Å; Y242-Y653 VanDerWaalsContact OH-CD1 3.3Å; Y242-Y653 WeakPolarHBondContact OH-CD1 3.43Å; Y242-Y653 PolarHBondContact OH-O 3.31Å; T651-Y653 PolarHBondContact O-N 2.9Å; Y653-M655 PolarHBondContact O-N 2.87Å
654	K	95.9	Very high	93	Very high	103 Å²	103	39.9 Å²	39.9	45%	0.448	21%	0.208	S	C	.	.	S	Bend	trans	-61.2	125.3	167.5	-179.5	173.5	-175	-174.7	0	109.6	P234 D237 V652 T656 Q658	P234-K654 HydrophobicContact CG-CB 3.79Å; P234-K654 HydrophobicContact CG-CD 4.46Å; P234-K654 HydrophobicContact CG-CG 3.94Å; D237-K654 WeakPolarHBondContact OD2-CA 3.1Å; V652-K654 HydrophobicContact CG1-CB 4.21Å; K654-T656 VanDerWaalsContact C-N 3.31Å; K654-T656 HydrophobicContact CD-CG2 4.11Å; K654-T656 HydrophobicContact CG-CG2 3.96Å; K654-T656 PolarHBondContact O-N 2.75Å; K654-Q658 PolarHBondContact O-NE2 3.33Å
655	M	93.9	Very high	92.6	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.039	22%	0.217	C	C	.	.			trans	-79.7	82.3	179.1	-62.6	-59.9	-61.9	0	0	110.3	R149 D237 T241 Y242 Y653 Q658 T659 Y662	R149-M655 HydrophobicContact CG-SD 4.11Å; D237-M655 HydrophobicContact CB-CB 4.45Å; D237-M655 HydrophobicContact CB-CG 3.96Å; D237-M655 PolarHBondContact OD2-N 3.03Å; T241-M655 HydrophobicContact CG2-CE 4.04Å; T241-M655 HydrophobicContact CG2-CG 4.07Å; T241-M655 HydrophobicContact CG2-SD 4Å; Y242-M655 HydrophobicContact CE2-CG 4.26Å; Y242-M655 HydrophobicContact CE2-SD 4.31Å; Y653-M655 PolarHBondContact O-N 2.87Å; M655-Q658 HydrophobicContact CE-CG 3.86Å; M655-Q658 HydrophobicContact SD-CG 4.28Å; M655-Q658 PolarHBondContact SD-NE2 2.91Å; M655-T659 HydrophobicContact CE-CG2 3.72Å; M655-Y662 HydrophobicContact CB-CD1 4.23Å; M655-Y662 HydrophobicContact CB-CD2 3.71Å; M655-Y662 HydrophobicContact CB-CE1 4.17Å; M655-Y662 HydrophobicContact CB-CE2 3.65Å; M655-Y662 HydrophobicContact CB-CG 3.99Å; M655-Y662 HydrophobicContact CE-CD2 3.64Å; M655-Y662 HydrophobicContact CE-CE2 3.74Å; M655-Y662 HydrophobicContact CG-CD2 4.43Å; M655-Y662 HydrophobicContact CG-CE2 4.07Å; M655-Y662 WeakPolarHBondContact O-CD1 3.42Å
656	T	88.4	Confident	92.2	Very high	53 Å²	53	36.8 Å²	36.8	33%	0.325	19%	0.19	S	C	.	.	S	Bend	trans	-133.1	139.4	171.2	47	0	0	0	0	108.3	K654 Q658	K654-T656 VanDerWaalsContact C-N 3.31Å; K654-T656 HydrophobicContact CD-CG2 4.11Å; K654-T656 HydrophobicContact CG-CG2 3.96Å; K654-T656 PolarHBondContact O-N 2.75Å; T656-Q658 PolarHBondContact O-N 3.06Å; T656-Q658 VanDerWaalsContact O-N 3.14Å
657	N	88.9	Confident	92.1	Very high	64 Å²	64	32.8 Å²	32.8	34%	0.342	17%	0.172	S	C	.	.	S	Bend	trans	64.1	15.3	172.4	-71.1	1.3	0	0	0	115.3	L647 Y662 I676	L647-N657 WeakPolarHBondContact CD2-O 3.45Å; N657-Y662 WeakPolarHBondContact CA-O 3.17Å; N657-Y662 PolarHBondContact N-O 3.36Å; N657-I676 HydrophobicContact CB-CD1 3.41Å; N657-I676 VanDerWaalsContact CB-CD1 3.41Å; N657-I676 WeakPolarHBondContact O-CD1 3.44Å
658	Q	89.2	Confident	91.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.182	C	C	.	.			trans	-142	153.8	-176.6	68.9	-167.3	8.3	0	0	110.9	L647 K654 M655 T656 Y662	L647-Q658 HydrophobicContact CD2-CB 3.66Å; K654-Q658 PolarHBondContact O-NE2 3.33Å; M655-Q658 HydrophobicContact CE-CG 3.86Å; M655-Q658 HydrophobicContact SD-CG 4.28Å; M655-Q658 PolarHBondContact SD-NE2 2.91Å; T656-Q658 PolarHBondContact O-N 3.06Å; T656-Q658 VanDerWaalsContact O-N 3.14Å; Q658-Y662 WeakPolarHBondContact O-CB 3.48Å
659	T	94.5	Very high	91.1	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.012	20%	0.204	C	C	.	.	H	α-helix	trans	57	157.4	-168.6	76.6	0	0	0	0	113	E162 Y641 M655 R661 Y662 L663	E162-T659 HydrophobicContact CB-CG2 3.89Å; E162-T659 HydrophobicContact CG-CG2 4.31Å; Y641-T659 WeakPolarHBondContact OH-CA 3.49Å; Y641-T659 PolarHBondContact OH-N 3.46Å; M655-T659 HydrophobicContact CE-CG2 3.72Å; T659-R661 PolarHBondContact O-N 3.07Å; T659-Y662 PolarHBondContact O-N 3.3Å; T659-Y662 VanDerWaalsContact O-N 3.17Å; T659-L663 WeakPolarHBondContact O-CG 3.43Å; T659-L663 PolarHBondContact O-N 2.95Å
660	Y	95.9	Very high	90.1	Very high	8 Å²	8	42.8 Å²	42.8	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-55.8	-26.6	178.7	82.4	-80.2	0	0	0	113.7	E162 D163 T639 Y662 F682 Y737 I761 L763	E162-Y660 HydrophobicContact CG-CD1 4.15Å; E162-Y660 VanDerWaalsContact OE1-CD1 3.29Å; E162-Y660 WeakPolarHBondContact OE1-CD1 3.35Å; E162-Y660 PolarHBondContact OE1-N 2.68Å; D163-Y660 HydrophobicContact CB-CE1 3.94Å; D163-Y660 WeakPolarHBondContact OD1-CE1 3.33Å; D163-Y660 PolarHBondContact OD1-OH 3.42Å; T639-Y660 PolarHBondContact OG1-N 2.98Å; Y660-Y662 VanDerWaalsContact C-N 3.33Å; Y660-Y662 PolarHBondContact O-N 2.74Å; Y660-F682 HydrophobicContact CD1-CB 3.8Å; Y660-F682 AromaticContact CD1-CD1 3.65Å; Y660-F682 HydrophobicContact CD1-CD1 3.65Å; Y660-F682 HydrophobicContact CD1-CD2 4.03Å; Y660-F682 HydrophobicContact CD1-CE1 4.22Å; Y660-F682 AromaticContact CD1-CG 3.55Å; Y660-F682 HydrophobicContact CD1-CG 3.55Å; Y660-F682 HydrophobicContact CD2-CD1 4.19Å; Y660-F682 AromaticContact CE1-CD1 3.73Å; Y660-F682 HydrophobicContact CE1-CD1 3.73Å; Y660-F682 HydrophobicContact CE1-CD2 4.25Å; Y660-F682 AromaticContact CE1-CE1 3.82Å; Y660-F682 HydrophobicContact CE1-CE1 3.82Å; Y660-F682 HydrophobicContact CE1-CE2 4.34Å; Y660-F682 AromaticContact CE1-CG 3.97Å; Y660-F682 HydrophobicContact CE1-CG 3.97Å; Y660-F682 HydrophobicContact CE1-CZ 4.13Å; Y660-F682 HydrophobicContact CE2-CD1 4.25Å; Y660-F682 HydrophobicContact CE2-CE1 4.49Å; Y660-F682 HydrophobicContact CG-CB 3.85Å; Y660-F682 AromaticContact CG-CD1 3.9Å; Y660-F682 HydrophobicContact CG-CD1 3.9Å; Y660-F682 AromaticContact CG-CG 3.97Å; Y660-F682 HydrophobicContact CG-CG 3.97Å; Y660-F682 AromaticContact CZ-CE1 3.98Å; Y660-Y737 HydrophobicContact CE2-CD1 4.17Å; Y660-Y737 AromaticContact CE2-CE1 3.79Å; Y660-Y737 HydrophobicContact CE2-CE1 3.79Å; Y660-I761 HydrophobicContact CD2-CG2 3.56Å; Y660-I761 HydrophobicContact CE2-CG1 4.38Å; Y660-I761 HydrophobicContact CE2-CG2 3.85Å; Y660-I761 WeakPolarHBondContact O-CG2 3.19Å; Y660-L763 WeakPolarHBondContact OH-CB 3.16Å; Y660-L763 PolarHBondContact OH-N 2.74Å
661	R	95.8	Very high	89	Confident	9 Å²	9	47.4 Å²	47.4	3%	0.034	24%	0.239	C	C	.	.	H	α-helix	trans	-69	-25.9	-177.3	-62.9	179.8	70.3	-144.7	11.5	113.9	M240 T241 T659 P759 N760 I761	M240-R661 PolarHBondContact O-NH1 2.95Å; M240-R661 PolarHBondContact O-NH2 2.84Å; T241-R661 PolarHBondContact OG1-NH1 3.48Å; T659-R661 PolarHBondContact O-N 3.07Å; R661-P759 HydrophobicContact CB-CB 4.05Å; R661-P759 VanDerWaalsContact NH2-CG 3.34Å; R661-N760 WeakPolarHBondContact O-CB 3.33Å; R661-N760 PolarHBondContact O-N 2.72Å; R661-I761 WeakPolarHBondContact CG-O 3.2Å
662	Y	94.2	Very high	87.8	Confident	21 Å²	21	55.6 Å²	55.6	8%	0.082	27%	0.271	C	S	.	.	H	α-helix	trans	-134.5	17.9	-171.1	-51.7	-85.8	0	0	0	114	T241 M655 N657 Q658 T659 Y660 P759	T241-Y662 PolarHBondContact OG1-OH 3.01Å; M655-Y662 HydrophobicContact CB-CD1 4.23Å; M655-Y662 HydrophobicContact CB-CD2 3.71Å; M655-Y662 HydrophobicContact CB-CE1 4.17Å; M655-Y662 HydrophobicContact CB-CE2 3.65Å; M655-Y662 HydrophobicContact CB-CG 3.99Å; M655-Y662 HydrophobicContact CE-CD2 3.64Å; M655-Y662 HydrophobicContact CE-CE2 3.74Å; M655-Y662 HydrophobicContact CG-CD2 4.43Å; M655-Y662 HydrophobicContact CG-CE2 4.07Å; M655-Y662 WeakPolarHBondContact O-CD1 3.42Å; N657-Y662 WeakPolarHBondContact CA-O 3.17Å; N657-Y662 PolarHBondContact N-O 3.36Å; Q658-Y662 WeakPolarHBondContact O-CB 3.48Å; T659-Y662 PolarHBondContact O-N 3.3Å; T659-Y662 VanDerWaalsContact O-N 3.17Å; Y660-Y662 VanDerWaalsContact C-N 3.33Å; Y660-Y662 PolarHBondContact O-N 2.74Å; Y662-P759 HydrophobicContact CD1-CB 4.34Å; Y662-P759 HydrophobicContact CE1-CB 3.76Å; Y662-P759 HydrophobicContact CE1-CG 4.02Å
663	L	92.4	Very high	86.9	Confident	20 Å²	20	55.7 Å²	55.7	11%	0.105	28%	0.283	C	S	.	.	S	Bend	trans	-62.6	149.9	170.3	-67.5	177.3	0	0	0	111.4	T639 Y641 T659 C667 I676 I678 N760	T639-L663 HydrophobicContact CG2-CD1 4.42Å; Y641-L663 HydrophobicContact CE1-CD2 3.92Å; T659-L663 WeakPolarHBondContact O-CG 3.43Å; T659-L663 PolarHBondContact O-N 2.95Å; L663-C667 HydrophobicContact CB-CB 4.12Å; L663-C667 HydrophobicContact CD1-CB 4.36Å; L663-I676 HydrophobicContact CD2-CG2 4.21Å; L663-I678 HydrophobicContact CD1-CD1 3.68Å; L663-I678 HydrophobicContact CD1-CG1 3.89Å; L663-I678 HydrophobicContact CD2-CD1 4.22Å; L663-N760 PolarHBondContact O-ND2 2.95Å
664	P	88.5	Confident	86.5	Confident	32 Å²	32	57.2 Å²	57.2	21%	0.208	30%	0.295	C	S	.	.			trans	-52.4	143.7	171.3	-25.1	33.7	0	0	0	111.6	S666 C667 I676	P664-S666 PolarHBondContact O-N 3.11Å; P664-C667 VanDerWaalsContact O-CB 3.26Å; P664-C667 WeakPolarHBondContact O-CB 3.09Å; P664-C667 PolarHBondContact O-N 3.18Å; P664-I676 HydrophobicContact CG-CD1 4.01Å; P664-I676 HydrophobicContact CG-CG1 4.44Å
665	K	83.5	Confident	86.1	Confident	85 Å²	85	59.2 Å²	59.2	37%	0.37	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-18.9	177.3	-69.9	178.5	171.8	169.5	0	114	C667 T668 Q671 I748 E751	K665-C667 PolarHBondContact O-N 3.11Å; K665-T668 WeakPolarHBondContact O-CG2 3.34Å; K665-T668 PolarHBondContact O-OG1 3.16Å; K665-Q671 PolarHBondContact O-OE1 2.87Å; K665-I748 PolarHBondContact NZ-O 2.04Å; K665-I748 VanDerWaalsContact NZ-O 3.14Å; K665-E751 WeakPolarHBondContact CE-OE1 3.27Å; K665-E751 WeakPolarHBondContact CE-OE2 3.25Å; K665-E751 IonicContact NZ-OE1 3.61Å; K665-E751 PolarHBondContact NZ-OE1 2.88Å; K665-E751 IonicContact NZ-OE2 2.88Å; K665-E751 PolarHBondContact NZ-OE2 3.16Å
666	S	84.5	Confident	85.9	Confident	28 Å²	28	59 Å²	59	20%	0.196	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-10.1	171.7	59.6	0	0	0	0	115.2	P664 T668 C674	P664-S666 PolarHBondContact O-N 3.11Å; S666-T668 PolarHBondContact O-N 2.78Å; S666-T668 VanDerWaalsContact O-N 3.13Å; S666-C674 WeakPolarHBondContact O-CB 3.46Å
667	C	87.3	Confident	85.9	Confident	15 Å²	15	58.8 Å²	58.8	10%	0.101	30%	0.302	C	S	.	.	S	Bend	trans	-88.9	47.5	176.2	-56.8	0	0	0	0	111.9	L663 P664 K665 C674	L663-C667 HydrophobicContact CB-CB 4.12Å; L663-C667 HydrophobicContact CD1-CB 4.36Å; P664-C667 VanDerWaalsContact O-CB 3.26Å; P664-C667 WeakPolarHBondContact O-CB 3.09Å; P664-C667 PolarHBondContact O-N 3.18Å; K665-C667 PolarHBondContact O-N 3.11Å; C667-C674 WeakPolarHBondContact CA-SG 3.26Å; C667-C674 HydrophobicContact CB-CB 3.9Å; C667-C674 WeakPolarHBondContact CB-SG 3.44Å; C667-C674 WeakPolarHBondContact SG-CB 3.48Å; C667-C674 CovalentContact SG-SG 2.04Å; C667-C674 PolarHBondContact SG-SG 3.01Å
668	T	83.7	Confident	86.2	Confident	46 Å²	46	56.7 Å²	56.7	28%	0.282	29%	0.29	S	S	.	.	S	Bend	trans	-126.7	158.4	176.7	59.5	0	0	0	0	110	K665 S666 Q670 Q671 D815	K665-T668 WeakPolarHBondContact O-CG2 3.34Å; K665-T668 PolarHBondContact O-OG1 3.16Å; S666-T668 PolarHBondContact O-N 2.78Å; S666-T668 VanDerWaalsContact O-N 3.13Å; T668-Q670 PolarHBondContact O-N 2.82Å; T668-Q671 PolarHBondContact O-N 2.85Å; T668-Q671 VanDerWaalsContact O-N 3.11Å; T668-D815 WeakPolarHBondContact CA-O 3.45Å
669	K	80.7	Confident	86.4	Confident	134 Å²	134	57.6 Å²	57.6	58%	0.583	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-29.3	179.2	-170.2	175.3	-178.6	175.5	0	113.7	D815 T819	K669-D815 WeakPolarHBondContact CB-O 3.2Å; K669-D815 PolarHBondContact N-O 3.24Å; K669-T819 HydrophobicContact CD-CG2 4.33Å
670	Q	73.1	Confident	86.5	Confident	157 Å²	157	57.9 Å²	57.9	73%	0.734	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-16	-174.1	-59.9	-177.9	7.4	0	0	113.2	T668	T668-Q670 PolarHBondContact O-N 2.82Å
671	Q	71.6	Confident	86.6	Confident	104 Å²	104	57.8 Å²	57.8	49%	0.486	30%	0.296	S	S	.	.			trans	-113.2	126.4	-174.4	-61.7	-159.6	-5.2	0	0	110.7	K665 T668	K665-Q671 PolarHBondContact O-OE1 2.87Å; T668-Q671 PolarHBondContact O-N 2.85Å; T668-Q671 VanDerWaalsContact O-N 3.11Å
672	K	71.4	Confident	86.7	Confident	216 Å²	216	57.3 Å²	57.3	94%	0.939	30%	0.295	S	S	*	.	S	Bend	trans	-84	134.1	167	-69.6	-174.6	178.2	-177	0	108.2
673	G	76.2	Confident	86.9	Confident	60 Å²	60	56.3 Å²	56.3	62%	0.619	29%	0.291	S	S	*	.			trans	101.9	33.8	175.4	0	0	0	0	0	115.6	K675	G673-K675 PolarHBondContact O-N 3.41Å
674	C	86.1	Confident	87.1	Confident	37 Å²	37	55.9 Å²	55.9	25%	0.25	29%	0.288	C	S	.	.			trans	-55.3	121.4	161	175.7	0	0	0	0	109.6	S666 C667 I676	S666-C674 WeakPolarHBondContact O-CB 3.46Å; C667-C674 WeakPolarHBondContact CA-SG 3.26Å; C667-C674 HydrophobicContact CB-CB 3.9Å; C667-C674 WeakPolarHBondContact CB-SG 3.44Å; C667-C674 WeakPolarHBondContact SG-CB 3.48Å; C667-C674 CovalentContact SG-SG 2.04Å; C667-C674 PolarHBondContact SG-SG 3.01Å; C674-I676 PolarHBondContact O-N 3.11Å; C674-I676 PolarHBondContact SG-O 2.64Å
675	K	87.7	Confident	87.6	Confident	145 Å²	145	54.4 Å²	54.4	63%	0.63	28%	0.278	S	S	*	.	S	Bend	trans	-72.5	-20.4	178.8	-69.9	-171.8	173.8	-169.3	0	113.2	E646 G673 P677	E646-K675 HydrophobicContact CG-CB 4.37Å; G673-K675 PolarHBondContact O-N 3.41Å; K675-P677 VanDerWaalsContact O-CD 3.26Å; K675-P677 WeakPolarHBondContact O-CD 3.01Å
676	I	90.4	Very high	88.2	Confident	2 Å²	2	51.5 Å²	51.5	1%	0.01	27%	0.267	C	S	.	.	S	Bend	trans	-116.4	78.5	-176.4	-52.8	179.1	0	0	0	107	Y641 E646 L647 N657 L663 P664 C674 I678	Y641-I676 HydrophobicContact CD1-CG2 3.75Å; Y641-I676 HydrophobicContact CE1-CG2 3.9Å; E646-I676 HydrophobicContact CB-CG1 3.9Å; L647-I676 HydrophobicContact CD1-CG2 4.36Å; L647-I676 HydrophobicContact CD2-CG2 4.45Å; L647-I676 HydrophobicContact CG-CG2 3.94Å; N657-I676 HydrophobicContact CB-CD1 3.41Å; N657-I676 VanDerWaalsContact CB-CD1 3.41Å; N657-I676 WeakPolarHBondContact O-CD1 3.44Å; L663-I676 HydrophobicContact CD2-CG2 4.21Å; P664-I676 HydrophobicContact CG-CD1 4.01Å; P664-I676 HydrophobicContact CG-CG1 4.44Å; C674-I676 PolarHBondContact O-N 3.11Å; C674-I676 PolarHBondContact SG-O 2.64Å; I676-I678 HydrophobicContact CG2-CD1 4.45Å; I676-I678 WeakPolarHBondContact O-CD1 3.48Å; I676-I678 WeakPolarHBondContact O-CG1 3.4Å; I676-I678 PolarHBondContact O-N 2.91Å
677	P	89	Confident	88.7	Confident	49 Å²	49	50.6 Å²	50.6	32%	0.318	26%	0.26	S	S	.	.			trans	-58.8	132.2	-169.6	25	-34.9	0	0	0	111	S642 K675	S642-P677 PolarHBondContact N-O 3.23Å; K675-P677 VanDerWaalsContact O-CD 3.26Å; K675-P677 WeakPolarHBondContact O-CD 3.01Å
678	I	93.6	Very high	89	Confident	20 Å²	20	50.6 Å²	50.6	10%	0.103	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	119.7	-178.5	-53.2	-51.3	0	0	0	108.3	T639 Y641 L663 I676 P681 P817	T639-I678 HydrophobicContact CG2-CD1 3.63Å; T639-I678 HydrophobicContact CG2-CG1 4.41Å; T639-I678 HydrophobicContact CG2-CG2 3.93Å; Y641-I678 HydrophobicContact CD1-CD1 3.48Å; Y641-I678 VanDerWaalsContact CD1-CD1 3.48Å; Y641-I678 HydrophobicContact CE1-CD1 3.58Å; L663-I678 HydrophobicContact CD1-CD1 3.68Å; L663-I678 HydrophobicContact CD1-CG1 3.89Å; L663-I678 HydrophobicContact CD2-CD1 4.22Å; I676-I678 HydrophobicContact CG2-CD1 4.45Å; I676-I678 WeakPolarHBondContact O-CD1 3.48Å; I676-I678 WeakPolarHBondContact O-CG1 3.4Å; I676-I678 PolarHBondContact O-N 2.91Å; I678-P681 HydrophobicContact CG2-CB 4.5Å; I678-P681 HydrophobicContact CG2-CG 4.21Å; I678-P817 HydrophobicContact CB-CG 4.28Å
679	L	95.1	Very high	89.5	Confident	19 Å²	19	48.5 Å²	48.5	10%	0.099	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-48.2	173.3	-168.3	61.2	0	0	0	110.5	I563 V567 W640 S642	I563-L679 HydrophobicContact CD1-CD2 4.46Å; I563-L679 HydrophobicContact CG1-CD2 3.8Å; V567-L679 HydrophobicContact CG1-CD1 4.42Å; V567-L679 HydrophobicContact CG2-CD1 4.37Å; V567-L679 HydrophobicContact CG2-CD2 4.29Å; W640-L679 HydrophobicContact CG-CB 4.45Å; W640-L679 PolarHBondContact O-N 2.87Å; S642-L679 PolarHBondContact OG-N 2.89Å
680	Y	97	Very high	90	Very high	8 Å²	8	43.9 Å²	43.9	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	124.4	174.5	-61	-74.4	0	0	0	110.8	L406 I563 V567 L636 W640 Y684	L406-Y680 HydrophobicContact CB-CE1 4.16Å; L406-Y680 HydrophobicContact CB-CE2 4.03Å; L406-Y680 HydrophobicContact CD1-CD2 4.15Å; L406-Y680 HydrophobicContact CD1-CE2 3.95Å; L406-Y680 HydrophobicContact CD2-CD1 4.24Å; L406-Y680 HydrophobicContact CD2-CD2 3.99Å; L406-Y680 HydrophobicContact CD2-CE1 4.49Å; L406-Y680 HydrophobicContact CD2-CE2 4.26Å; L406-Y680 HydrophobicContact CD2-CG 3.97Å; L406-Y680 HydrophobicContact CG-CD2 4.48Å; L406-Y680 HydrophobicContact CG-CE2 4.32Å; L406-Y680 VanDerWaalsContact O-CE1 3.29Å; L406-Y680 WeakPolarHBondContact O-CE1 3.3Å; L406-Y680 PolarHBondContact O-OH 3.41Å; I563-Y680 HydrophobicContact CD1-CE2 4.39Å; V567-Y680 HydrophobicContact CG2-CE2 4.24Å; L636-Y680 VanDerWaalsContact CD1-CB 3.45Å; L636-Y680 HydrophobicContact CD1-CG 4.38Å; W640-Y680 WeakPolarHBondContact CA-O 3.38Å; W640-Y680 HydrophobicContact CB-CD2 4.31Å; W640-Y680 WeakPolarHBondContact CB-O 3.03Å; W640-Y680 HydrophobicContact CD2-CD2 4.38Å; W640-Y680 HydrophobicContact CG-CD2 4.19Å; W640-Y680 PolarHBondContact N-O 3Å; W640-Y680 PolarHBondContact O-N 3.23Å; W640-Y680 VanDerWaalsContact O-N 3.15Å; Y680-Y684 AromaticContact CD1-CD1 3.55Å; Y680-Y684 HydrophobicContact CD1-CD1 3.55Å; Y680-Y684 HydrophobicContact CD1-CD2 4.48Å; Y680-Y684 AromaticContact CD1-CE1 3.36Å; Y680-Y684 HydrophobicContact CD1-CE1 3.36Å; Y680-Y684 HydrophobicContact CD1-CE2 4.33Å; Y680-Y684 HydrophobicContact CD1-CG 4.14Å; Y680-Y684 AromaticContact CD1-CZ 3.79Å; Y680-Y684 HydrophobicContact CE1-CD1 4.3Å; Y680-Y684 AromaticContact CE1-CE1 3.66Å; Y680-Y684 HydrophobicContact CE1-CE1 3.66Å; Y680-Y684 AromaticContact CE1-CZ 3.96Å; Y680-Y684 HydrophobicContact CG-CD1 4.2Å; Y680-Y684 HydrophobicContact CG-CE1 4.37Å
681	P	96.6	Very high	90.9	Very high	6 Å²	6	40 Å²	40	4%	0.039	21%	0.21	C	C	.	.			trans	-65.9	157.5	178.1	-20	31.7	0	0	0	113	I678 Y684 Q816 P817	I678-P681 HydrophobicContact CG2-CB 4.5Å; I678-P681 HydrophobicContact CG2-CG 4.21Å; P681-Y684 WeakPolarHBondContact O-CB 3.5Å; P681-Y684 PolarHBondContact O-N 3Å; P681-Y684 VanDerWaalsContact O-N 3.16Å; P681-Q816 HydrophobicContact CB-CB 4.19Å; P681-Q816 HydrophobicContact CG-CB 3.8Å; P681-Q816 HydrophobicContact CG-CG 4.2Å; P681-P817 HydrophobicContact CG-CG 4.29Å
682	F	97.8	Very high	91.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	145.9	161.8	170.1	-89.2	0	0	0	111	F103 E162 D163 L166 P637 Y660 Y684 Y737 L763 Q813	F103-F682 HydrophobicContact CE1-CZ 4.2Å; F103-F682 HydrophobicContact CZ-CE1 4.29Å; F103-F682 HydrophobicContact CZ-CE2 4.22Å; F103-F682 AromaticContact CZ-CZ 3.77Å; F103-F682 HydrophobicContact CZ-CZ 3.77Å; E162-F682 HydrophobicContact CG-CD2 3.9Å; E162-F682 HydrophobicContact CG-CE2 4.39Å; E162-F682 WeakPolarHBondContact OE1-CB 3.24Å; D163-F682 HydrophobicContact CB-CE2 3.84Å; D163-F682 HydrophobicContact CB-CZ 3.74Å; L166-F682 HydrophobicContact CD2-CE2 4.28Å; L166-F682 HydrophobicContact CD2-CZ 4.28Å; P637-F682 VanDerWaalsContact C-CD2 3.42Å; P637-F682 WeakPolarHBondContact O-CE2 3.37Å; Y660-F682 HydrophobicContact CD1-CB 3.8Å; Y660-F682 AromaticContact CD1-CD1 3.65Å; Y660-F682 HydrophobicContact CD1-CD1 3.65Å; Y660-F682 HydrophobicContact CD1-CD2 4.03Å; Y660-F682 HydrophobicContact CD1-CE1 4.22Å; Y660-F682 AromaticContact CD1-CG 3.55Å; Y660-F682 HydrophobicContact CD1-CG 3.55Å; Y660-F682 HydrophobicContact CD2-CD1 4.19Å; Y660-F682 AromaticContact CE1-CD1 3.73Å; Y660-F682 HydrophobicContact CE1-CD1 3.73Å; Y660-F682 HydrophobicContact CE1-CD2 4.25Å; Y660-F682 AromaticContact CE1-CE1 3.82Å; Y660-F682 HydrophobicContact CE1-CE1 3.82Å; Y660-F682 HydrophobicContact CE1-CE2 4.34Å; Y660-F682 AromaticContact CE1-CG 3.97Å; Y660-F682 HydrophobicContact CE1-CG 3.97Å; Y660-F682 HydrophobicContact CE1-CZ 4.13Å; Y660-F682 HydrophobicContact CE2-CD1 4.25Å; Y660-F682 HydrophobicContact CE2-CE1 4.49Å; Y660-F682 HydrophobicContact CG-CB 3.85Å; Y660-F682 AromaticContact CG-CD1 3.9Å; Y660-F682 HydrophobicContact CG-CD1 3.9Å; Y660-F682 AromaticContact CG-CG 3.97Å; Y660-F682 HydrophobicContact CG-CG 3.97Å; Y660-F682 AromaticContact CZ-CE1 3.98Å; F682-Y684 PolarHBondContact O-N 2.76Å; F682-Y684 VanDerWaalsContact O-N 3.17Å; F682-Y737 HydrophobicContact CE1-CE1 4.26Å; F682-Y737 WeakPolarHBondContact CE1-OH 3.47Å; F682-L763 HydrophobicContact CE1-CD2 4.43Å; F682-L763 HydrophobicContact CZ-CD2 4.26Å; F682-Q813 PolarHBondContact O-NE2 3.12Å
683	G	98	Very high	92.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	8.1	-178.8	0	0	0	0	0	114.1	R635 L636 Q735	R635-G683 WeakPolarHBondContact CD-O 3.4Å; L636-G683 PolarHBondContact O-N 3.15Å; G683-Q735 PolarHBondContact O-NE2 3.18Å
684	Y	98.2	Very high	93.1	Very high	11 Å²	11	33.4 Å²	33.4	4%	0.043	19%	0.19	C	C	.	.			trans	-80.5	139.9	174.4	-177.1	-85.6	0	0	0	111.6	L406 R635 L636 Y680 P681 F682 L686 V818 V820	L406-Y684 HydrophobicContact CD2-CD1 4.18Å; L406-Y684 HydrophobicContact CD2-CE1 4.42Å; L406-Y684 PolarHBondContact O-OH 3.34Å; R635-Y684 CarbonylContact C-O 3.56Å; R635-Y684 WeakPolarHBondContact CA-O 3.31Å; L636-Y684 PolarHBondContact N-O 3.42Å; Y680-Y684 AromaticContact CD1-CD1 3.55Å; Y680-Y684 HydrophobicContact CD1-CD1 3.55Å; Y680-Y684 HydrophobicContact CD1-CD2 4.48Å; Y680-Y684 AromaticContact CD1-CE1 3.36Å; Y680-Y684 HydrophobicContact CD1-CE1 3.36Å; Y680-Y684 HydrophobicContact CD1-CE2 4.33Å; Y680-Y684 HydrophobicContact CD1-CG 4.14Å; Y680-Y684 AromaticContact CD1-CZ 3.79Å; Y680-Y684 HydrophobicContact CE1-CD1 4.3Å; Y680-Y684 AromaticContact CE1-CE1 3.66Å; Y680-Y684 HydrophobicContact CE1-CE1 3.66Å; Y680-Y684 AromaticContact CE1-CZ 3.96Å; Y680-Y684 HydrophobicContact CG-CD1 4.2Å; Y680-Y684 HydrophobicContact CG-CE1 4.37Å; P681-Y684 WeakPolarHBondContact O-CB 3.5Å; P681-Y684 PolarHBondContact O-N 3Å; P681-Y684 VanDerWaalsContact O-N 3.16Å; F682-Y684 PolarHBondContact O-N 2.76Å; F682-Y684 VanDerWaalsContact O-N 3.17Å; Y684-L686 HydrophobicContact CE1-CG 4.26Å; Y684-V818 HydrophobicContact CE2-CB 4.37Å; Y684-V818 HydrophobicContact CE2-CG1 3.8Å; Y684-V820 HydrophobicContact CD2-CG1 3.49Å; Y684-V820 VanDerWaalsContact CD2-CG1 3.49Å; Y684-V820 HydrophobicContact CE2-CG1 3.53Å; Y684-V820 HydrophobicContact CG-CG1 4.03Å
685	G	98	Very high	93.5	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.01	20%	0.196	C	C	.	.			trans	178.1	137.7	169.7	0	0	0	0	0	110.3	R635 V820	R635-G685 PolarHBondContact NH1-O 3.01Å; G685-V820 WeakPolarHBondContact O-CG1 3.04Å
686	L	97.1	Very high	93.9	Very high	24 Å²	24	28.3 Å²	28.3	13%	0.126	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-87.6	170.7	179.4	-60.6	176.3	0	0	0	111.3	L405 Y684 V820	L405-L686 HydrophobicContact CB-CB 4.13Å; L405-L686 HydrophobicContact CD2-CB 3.79Å; L405-L686 HydrophobicContact CG-CB 3.86Å; L405-L686 WeakPolarHBondContact O-CB 3.4Å; L405-L686 PolarHBondContact O-N 3.28Å; Y684-L686 HydrophobicContact CE1-CG 4.26Å; L686-V820 HydrophobicContact CD2-CB 4.07Å; L686-V820 HydrophobicContact CD2-CG1 4.27Å
687	S	95	Very high	94.1	Very high	9 Å²	9	28.2 Å²	28.2	6%	0.063	17%	0.168	C	C	.	.			trans	-132.1	162.3	168.6	-167.4	0	0	0	0	109.6	P632 N689	P632-S687 VanDerWaalsContact O-CA 3.29Å; P632-S687 WeakPolarHBondContact O-CA 3.36Å; P632-S687 VanDerWaalsContact O-CB 3.23Å; P632-S687 WeakPolarHBondContact O-CB 3.46Å; P632-S687 PolarHBondContact O-OG 3.29Å; S687-N689 PolarHBondContact OG-N 2.84Å
688	Y	93.6	Very high	94.6	Very high	15 Å²	15	26 Å²	26	6%	0.059	15%	0.153	C	C	.	.	S	Bend	trans	-72.7	-19.1	167.9	-57.4	-29.1	0	0	0	112.4	L405 L413 P414 F576 V592 I631 P632 M690	L405-Y688 HydrophobicContact CD1-CE1 4.47Å; L405-Y688 HydrophobicContact CD2-CD1 3.76Å; L405-Y688 HydrophobicContact CD2-CE1 3.63Å; L413-Y688 HydrophobicContact CB-CD1 4.24Å; L413-Y688 HydrophobicContact CB-CE1 3.45Å; L413-Y688 VanDerWaalsContact CB-CE1 3.45Å; L413-Y688 HydrophobicContact CD1-CE1 4.45Å; L413-Y688 WeakPolarHBondContact O-CD1 3.43Å; P414-Y688 HydrophobicContact CB-CD2 4.12Å; P414-Y688 HydrophobicContact CB-CE2 3.99Å; P414-Y688 HydrophobicContact CG-CD2 4.16Å; F576-Y688 WeakPolarHBondContact CZ-OH 3.33Å; V592-Y688 WeakPolarHBondContact O-CE2 3.16Å; V592-Y688 PolarHBondContact O-OH 3.25Å; I631-Y688 HydrophobicContact CD1-CD2 3.92Å; I631-Y688 HydrophobicContact CG2-CD2 4.33Å; P632-Y688 VanDerWaalsContact CD-CD2 3.47Å; P632-Y688 HydrophobicContact CG-CD1 4.38Å; P632-Y688 HydrophobicContact CG-CD2 4.43Å; P632-Y688 HydrophobicContact CG-CE1 3.89Å; P632-Y688 HydrophobicContact CG-CE2 3.95Å; Y688-M690 PolarHBondContact O-N 3.15Å
689	N	92.6	Very high	94.8	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.164	C	C	.	.			trans	-75.9	87.4	179.5	-170.7	28.6	0	0	0	111.1	S687 G697 N724 G726 A727 I728 C730	S687-N689 PolarHBondContact OG-N 2.84Å; N689-G697 WeakPolarHBondContact O-CA 3.31Å; N689-G697 PolarHBondContact O-N 3.14Å; N689-N724 PolarHBondContact ND2-OD1 3.36Å; N689-G726 WeakPolarHBondContact OD1-CA 3.29Å; N689-A727 PolarHBondContact OD1-N 3.11Å; N689-I728 PolarHBondContact ND2-O 3.22Å; N689-I728 PolarHBondContact OD1-N 3.23Å; N689-I728 PolarHBondContact OD1-O 3.36Å; N689-C730 HydrophobicContact CB-CB 4.3Å; N689-C730 PolarHBondContact ND2-SG 2.87Å; N689-C730 VanDerWaalsContact ND2-SG 3.41Å
690	M	92.4	Very high	95	Very high	37 Å²	37	28 Å²	28	18%	0.182	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	146.5	179.3	-60.5	-61.3	-72.9	0	0	110.9	Y688 S692 L695	Y688-M690 PolarHBondContact O-N 3.15Å; M690-S692 WeakPolarHBondContact CE-O 3.11Å; M690-L695 WeakPolarHBondContact CE-O 3.43Å
691	L	92.5	Very high	95	Very high	77 Å²	77	31.5 Å²	31.5	40%	0.403	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	-29.6	169.4	-80.4	176.2	0	0	0	112.2	L695 V725	L691-L695 HydrophobicContact CB-CB 4.33Å; L691-L695 HydrophobicContact CB-CD2 4.05Å; L691-L695 HydrophobicContact CB-CG 4.23Å; L691-L695 HydrophobicContact CD1-CD2 3.77Å; L691-L695 HydrophobicContact CD1-CG 4.19Å; L691-L695 PolarHBondContact N-O 2.86Å; L691-V725 HydrophobicContact CD1-CG2 3.77Å; L691-V725 WeakPolarHBondContact CD2-O 3.44Å; L691-V725 HydrophobicContact CG-CG2 4.44Å
692	S	90.1	Very high	95.1	Very high	44 Å²	44	36.5 Å²	36.5	31%	0.308	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	170	175.7	74.1	0	0	0	0	108	M690 S694 L695	M690-S692 WeakPolarHBondContact CE-O 3.11Å; S692-S694 PolarHBondContact O-N 2.79Å; S692-L695 PolarHBondContact N-O 3.06Å; S692-L695 PolarHBondContact O-N 3.43Å; S692-L695 WeakPolarHBondContact OG-CB 3.3Å
693	P	85.8	Confident	95.1	Very high	103 Å²	103	38.2 Å²	38.2	67%	0.669	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-20.9	-173.6	-31.2	36.6	0	0	0	116.1
694	S	88.4	Confident	95.1	Very high	93 Å²	93	42.2 Å²	42.2	65%	0.65	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.4	2.6	-179.8	61.1	0	0	0	0	114.6	S692 G821	S692-S694 PolarHBondContact O-N 2.79Å; S694-G821 WeakPolarHBondContact O-CA 3.4Å
695	L	94.3	Very high	95.1	Very high	69 Å²	69	43.1 Å²	43.1	36%	0.361	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	121.7	-174.4	-170.9	67.8	0	0	0	110.9	M690 L691 S692	M690-L695 WeakPolarHBondContact CE-O 3.43Å; L691-L695 HydrophobicContact CB-CB 4.33Å; L691-L695 HydrophobicContact CB-CD2 4.05Å; L691-L695 HydrophobicContact CB-CG 4.23Å; L691-L695 HydrophobicContact CD1-CD2 3.77Å; L691-L695 HydrophobicContact CD1-CG 4.19Å; L691-L695 PolarHBondContact N-O 2.86Å; S692-L695 PolarHBondContact N-O 3.06Å; S692-L695 PolarHBondContact O-N 3.43Å; S692-L695 WeakPolarHBondContact OG-CB 3.3Å
696	S	95.7	Very high	94.9	Very high	7 Å²	7	45.1 Å²	45.1	5%	0.049	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	149	177.5	179.7	0	0	0	0	112	I698 G821	S696-I698 PolarHBondContact O-N 3.33Å; S696-I698 PolarHBondContact OG-N 2.94Å; S696-G821 PolarHBondContact N-O 3.18Å
697	G	96.6	Very high	94.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	-64.8	-14	165	0	0	0	0	0	114	N689 V725 G726	N689-G697 WeakPolarHBondContact O-CA 3.31Å; N689-G697 PolarHBondContact O-N 3.14Å; G697-V725 WeakPolarHBondContact O-CG2 3.32Å; G697-V725 PolarHBondContact O-N 2.67Å; G697-G726 PolarHBondContact O-N 3.47Å; G697-G726 VanDerWaalsContact O-N 3.11Å
698	I	97.9	Very high	94.4	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	132	178.1	-58.4	-53.3	0	0	0	110.8	S696 Y700 V722 A723 N724 E732 L771	S696-I698 PolarHBondContact O-N 3.33Å; S696-I698 PolarHBondContact OG-N 2.94Å; I698-Y700 HydrophobicContact CG2-CE2 4.02Å; I698-V722 HydrophobicContact CG2-CG2 3.66Å; I698-A723 WeakPolarHBondContact CA-O 3.42Å; I698-N724 HydrophobicContact CD1-CB 3.79Å; I698-E732 HydrophobicContact CG1-CB 4.4Å; I698-E732 HydrophobicContact CG1-CG 4.43Å; I698-E732 WeakPolarHBondContact CG1-OE2 3.29Å; I698-E732 HydrophobicContact CG2-CG 3.96Å; I698-L771 HydrophobicContact CD1-CD1 4Å
699	K	98.3	Very high	94.3	Very high	76 Å²	76	57.1 Å²	57.1	33%	0.33	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	137.8	176.2	-73	-170.9	-178.7	177.9	0	112.3	L701 A723 V725 N823	K699-L701 HydrophobicContact CB-CD2 4.01Å; K699-A723 PolarHBondContact N-O 3.28Å; K699-A723 PolarHBondContact O-N 2.93Å; K699-V725 HydrophobicContact CB-CG2 4.29Å; K699-V725 HydrophobicContact CD-CG2 3.73Å; K699-V725 HydrophobicContact CG-CG2 3.7Å; K699-N823 WeakPolarHBondContact CA-OD1 3.48Å
700	Y	98.5	Very high	94.3	Very high	5 Å²	5	57.7 Å²	57.7	2%	0.02	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	117.4	172	-61.5	-92.9	0	0	0	108.5	I698 V722 E732 V734 V809 G810 G811 N823 L825	I698-Y700 HydrophobicContact CG2-CE2 4.02Å; Y700-V722 HydrophobicContact CD1-CB 4.08Å; Y700-V722 HydrophobicContact CD1-CG2 4.02Å; Y700-V722 HydrophobicContact CE1-CB 4.04Å; Y700-V722 HydrophobicContact CE1-CG2 3.7Å; Y700-E732 PolarHBondContact OH-OE1 3.45Å; Y700-V734 HydrophobicContact CE1-CB 4.29Å; Y700-V734 HydrophobicContact CE1-CG1 3.71Å; Y700-V734 HydrophobicContact CE1-CG2 3.85Å; Y700-V809 HydrophobicContact CD1-CG1 4.3Å; Y700-V809 HydrophobicContact CE1-CG1 4.44Å; Y700-G810 VanDerWaalsContact CZ-CA 3.49Å; Y700-G810 PolarHBondContact OH-O 2.68Å; Y700-G811 WeakPolarHBondContact OH-CA 2.98Å; Y700-G811 PolarHBondContact OH-N 2.89Å; Y700-N823 WeakPolarHBondContact CD2-O 3.49Å; Y700-N823 PolarHBondContact N-OD1 3.46Å; Y700-N823 PolarHBondContact O-ND2 3.39Å; Y700-L825 WeakPolarHBondContact O-CD2 3.38Å
701	L	98.3	Very high	94.3	Very high	83 Å²	83	60.8 Å²	60.8	44%	0.435	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-37.7	-164.9	-58.4	-176.9	0	0	0	113.6	K699 T721 A723 K776	K699-L701 HydrophobicContact CB-CD2 4.01Å; L701-T721 HydrophobicContact CB-CG2 4.32Å; L701-T721 HydrophobicContact CD1-CG2 4.29Å; L701-T721 PolarHBondContact N-O 2.94Å; L701-A723 HydrophobicContact CD1-CB 3.64Å; L701-A723 HydrophobicContact CG-CB 4.05Å; L701-K776 HydrophobicContact CD1-CD 3.98Å
702	K	98.2	Very high	94.1	Very high	110 Å²	110	57.2 Å²	57.2	48%	0.478	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	139.9	-172.8	-166.8	-176.2	-172.7	-169.1	0	110.8	E704 A720 T721 L825	K702-E704 HydrophobicContact CD-CG 4.19Å; K702-E704 WeakPolarHBondContact CD-OE1 3.48Å; K702-E704 WeakPolarHBondContact CE-OE1 3.36Å; K702-E704 HydrophobicContact CG-CG 4.28Å; K702-E704 IonicContact NZ-OE1 3.65Å; K702-E704 PolarHBondContact NZ-OE1 2.04Å; K702-A720 CarbonylContact O-C 3.56Å; K702-A720 VanDerWaalsContact O-CA 3.25Å; K702-A720 WeakPolarHBondContact O-CA 3.17Å; K702-T721 PolarHBondContact O-N 2.87Å; K702-L825 WeakPolarHBondContact O-CD1 3.49Å
703	L	98.4	Very high	94	Very high	36 Å²	36	60.6 Å²	60.6	19%	0.188	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	123.5	173.8	179.1	67.6	0	0	0	107.6	L705 V718 Y719 A720 V809 L825	L703-L705 HydrophobicContact CD1-CD2 4.26Å; L703-L705 HydrophobicContact CD2-CD1 4.07Å; L703-L705 HydrophobicContact CD2-CG 4.36Å; L703-L705 HydrophobicContact CG-CD1 4.35Å; L703-L705 HydrophobicContact CG-CD2 4.37Å; L703-L705 HydrophobicContact CG-CG 4.1Å; L703-V718 HydrophobicContact CD1-CG1 3.54Å; L703-Y719 CarbonylContact C-O 3.59Å; L703-Y719 WeakPolarHBondContact CA-O 3.41Å; L703-A720 HydrophobicContact CD1-CB 4.39Å; L703-V809 HydrophobicContact CD1-CB 4.28Å; L703-V809 HydrophobicContact CD1-CG2 3.67Å; L703-L825 HydrophobicContact CB-CB 3.79Å; L703-L825 HydrophobicContact CB-CD1 3.79Å; L703-L825 HydrophobicContact CB-CG 4.4Å; L703-L825 HydrophobicContact CD2-CB 4.04Å; L703-L825 HydrophobicContact CG-CB 4.45Å
704	E	98.3	Very high	94.4	Very high	84 Å²	84	59.7 Å²	59.7	39%	0.393	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.8	175.4	-50.8	-178.5	-164.5	0	0	109.7	K702 Y719	K702-E704 HydrophobicContact CD-CG 4.19Å; K702-E704 WeakPolarHBondContact CD-OE1 3.48Å; K702-E704 WeakPolarHBondContact CE-OE1 3.36Å; K702-E704 HydrophobicContact CG-CG 4.28Å; K702-E704 IonicContact NZ-OE1 3.65Å; K702-E704 PolarHBondContact NZ-OE1 2.04Å; E704-Y719 PolarHBondContact N-O 3.42Å; E704-Y719 PolarHBondContact O-N 3.05Å
705	L	97.4	Very high	94.7	Very high	31 Å²	31	57.7 Å²	57.7	16%	0.162	30%	0.301	C	S	.	.			trans	-130.8	159.2	-177.7	-61.7	175.2	0	0	0	109.4	L703 L707 V718 I807 V829	L703-L705 HydrophobicContact CD1-CD2 4.26Å; L703-L705 HydrophobicContact CD2-CD1 4.07Å; L703-L705 HydrophobicContact CD2-CG 4.36Å; L703-L705 HydrophobicContact CG-CD1 4.35Å; L703-L705 HydrophobicContact CG-CD2 4.37Å; L703-L705 HydrophobicContact CG-CG 4.1Å; L705-L707 PolarHBondContact O-N 3.37Å; L705-V718 HydrophobicContact CD2-CB 4.05Å; L705-V718 HydrophobicContact CD2-CG1 3.67Å; L705-V718 HydrophobicContact CD2-CG2 3.59Å; L705-I807 HydrophobicContact CD1-CB 4.31Å; L705-I807 HydrophobicContact CD2-CB 4.37Å; L705-I807 HydrophobicContact CD2-CD1 3.94Å; L705-I807 HydrophobicContact CD2-CG2 4.17Å; L705-V829 HydrophobicContact CB-CG2 3.91Å; L705-V829 HydrophobicContact CD1-CG2 4.02Å; L705-V829 HydrophobicContact CD2-CG2 4.39Å; L705-V829 HydrophobicContact CG-CG2 4.34Å
706	P	93.9	Very high	94.8	Very high	43 Å²	43	54.4 Å²	54.4	28%	0.279	28%	0.284	S	S	.	.			trans	-56.8	124.1	173	-24.6	35.6	0	0	0	111.5	V710 I716 T717	P706-V710 HydrophobicContact CB-CG2 3.72Å; P706-V710 HydrophobicContact CG-CG2 3.93Å; P706-I716 HydrophobicContact CG-CG2 4.13Å; P706-T717 WeakPolarHBondContact CD-O 3.3Å
707	L	89.9	Confident	94.8	Very high	181 Å²	181	56.7 Å²	56.7	95%	0.948	30%	0.298	S	S	*	.	S	Bend	trans	-76.9	-28	179	-63.6	176.8	0	0	0	112.8	L705	L705-L707 PolarHBondContact O-N 3.37Å
708	S	91.8	Very high	94.8	Very high	70 Å²	70	56.7 Å²	56.7	49%	0.49	30%	0.298	S	S	.	.	S	Bend	trans	-95.1	152.9	176.1	-64.5	0	0	0	0	111	V710	S708-V710 PolarHBondContact O-N 3.22Å
709	P	90.9	Very high	94.8	Very high	48 Å²	48	62.2 Å²	62.2	31%	0.312	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-53.5	135.6	173	-24.7	34	0	0	0	111.8	K830 D832	P709-K830 VanDerWaalsContact CA-O 3.3Å; P709-K830 WeakPolarHBondContact CA-O 3.47Å; P709-K830 HydrophobicContact CB-CB 4.32Å; P709-K830 HydrophobicContact CG-CB 4.42Å; P709-D832 HydrophobicContact CB-CB 4.28Å
710	V	93.3	Very high	94.8	Very high	13 Å²	13	58.7 Å²	58.7	8%	0.079	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-93.9	143.2	176.5	-178.6	0	0	0	0	108.6	P706 S708 Q714 I716 V829 K830 I831 D832	P706-V710 HydrophobicContact CB-CG2 3.72Å; P706-V710 HydrophobicContact CG-CG2 3.93Å; S708-V710 PolarHBondContact O-N 3.22Å; V710-Q714 HydrophobicContact CG1-CB 3.82Å; V710-I716 HydrophobicContact CB-CG1 4.31Å; V710-I716 HydrophobicContact CG1-CG1 4.08Å; V710-I716 HydrophobicContact CG2-CG1 4.22Å; V710-V829 HydrophobicContact CG2-CG1 4.12Å; V710-K830 PolarHBondContact N-O 3.11Å; V710-I831 CarbonylContact O-C 3.6Å; V710-I831 VanDerWaalsContact O-CA 3.25Å; V710-I831 WeakPolarHBondContact O-CA 3.32Å; V710-D832 PolarHBondContact O-N 3.04Å
711	K	92.5	Very high	94.8	Very high	102 Å²	102	59.4 Å²	59.4	44%	0.443	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-73.7	148.4	176.6	-65.9	179.1	179.2	177.1	0	110.5	N713 Q714	K711-N713 PolarHBondContact O-N 2.85Å; K711-Q714 HydrophobicContact CB-CB 4.46Å; K711-Q714 HydrophobicContact CB-CG 4.07Å; K711-Q714 PolarHBondContact O-N 2.62Å
712	P	87.9	Confident	94.8	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.019	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-31	-177.5	-30.6	37.2	0	0	0	116.2	P800 G801 Q802 I831	P712-P800 HydrophobicContact CB-CB 3.56Å; P712-G801 WeakPolarHBondContact CB-O 3.38Å; P712-Q802 HydrophobicContact CB-CG 4.36Å; P712-Q802 HydrophobicContact CG-CG 3.62Å; P712-I831 HydrophobicContact CB-CG2 4.15Å; P712-I831 HydrophobicContact CG-CG2 3.87Å
713	N	88.7	Confident	94.9	Very high	114 Å²	114	50.2 Å²	50.2	61%	0.61	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	12.3	-178.7	-66.5	-22.8	0	0	0	113.7	K711 P785 P800	K711-N713 PolarHBondContact O-N 2.85Å; N713-P785 WeakPolarHBondContact O-CG 3.45Å; N713-P800 VanDerWaalsContact OD1-CB 3.22Å; N713-P800 WeakPolarHBondContact OD1-CB 3.42Å; N713-P800 WeakPolarHBondContact OD1-CG 3.36Å
714	Q	92.8	Very high	94.8	Very high	85 Å²	85	48.5 Å²	48.5	40%	0.397	26%	0.257	S	S	.	.	S	Bend	trans	-108.7	142.4	180	-71.9	-176.5	-35.9	0	0	110.6	V710 K711	V710-Q714 HydrophobicContact CG1-CB 3.82Å; K711-Q714 HydrophobicContact CB-CB 4.46Å; K711-Q714 HydrophobicContact CB-CG 4.07Å; K711-Q714 PolarHBondContact O-N 2.62Å
715	P	94.3	Very high	94.7	Very high	50 Å²	50	47.5 Å²	47.5	33%	0.325	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-67.1	150.7	173.8	29.6	-34.7	0	0	0	110.8	Q782 I783	P715-Q782 HydrophobicContact CB-CG 3.75Å; P715-I783 CarbonylContact C-O 3.4Å; P715-I783 WeakPolarHBondContact CA-O 3.45Å; P715-I783 WeakPolarHBondContact CB-O 3.37Å
716	I	96.3	Very high	94.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	123.6	169.1	-65.3	171.4	0	0	0	108.1	P706 V710 V718 Q782 I783 L788 L805 I807 V829 I831	P706-I716 HydrophobicContact CG-CG2 4.13Å; V710-I716 HydrophobicContact CB-CG1 4.31Å; V710-I716 HydrophobicContact CG1-CG1 4.08Å; V710-I716 HydrophobicContact CG2-CG1 4.22Å; I716-V718 HydrophobicContact CG2-CG2 3.92Å; I716-Q782 WeakPolarHBondContact O-CA 3.5Å; I716-I783 HydrophobicContact CB-CB 4.28Å; I716-I783 HydrophobicContact CB-CD1 4.22Å; I716-I783 HydrophobicContact CG2-CD1 4.19Å; I716-I783 PolarHBondContact N-O 2.93Å; I716-I783 PolarHBondContact O-N 2.89Å; I716-L788 HydrophobicContact CD1-CD1 3.9Å; I716-L788 HydrophobicContact CD1-CD2 4.03Å; I716-L788 HydrophobicContact CG1-CD1 3.96Å; I716-L805 HydrophobicContact CD1-CD1 4.16Å; I716-I807 HydrophobicContact CG2-CD1 4.01Å; I716-V829 HydrophobicContact CD1-CB 4.42Å; I716-V829 HydrophobicContact CD1-CG1 3.84Å; I716-V829 HydrophobicContact CG1-CG1 4.46Å; I716-I831 HydrophobicContact CD1-CD1 3.99Å; I716-I831 HydrophobicContact CD1-CG1 4.24Å
717	T	95.9	Very high	94.4	Very high	55 Å²	55	48.5 Å²	48.5	34%	0.337	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	130.6	170.7	-48.9	0	0	0	0	109.6	P706 Y719 F781	P706-T717 WeakPolarHBondContact CD-O 3.3Å; T717-Y719 HydrophobicContact CG2-CD2 4.28Å; T717-Y719 HydrophobicContact CG2-CE1 4.48Å; T717-Y719 HydrophobicContact CG2-CE2 3.54Å; T717-F781 WeakPolarHBondContact CA-O 3.35Å
718	V	97.6	Very high	94.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.9	-179.9	179.2	0	0	0	0	108.4	L703 L705 I716 L736 H780 F781 I783 I807 V809	L703-V718 HydrophobicContact CD1-CG1 3.54Å; L705-V718 HydrophobicContact CD2-CB 4.05Å; L705-V718 HydrophobicContact CD2-CG1 3.67Å; L705-V718 HydrophobicContact CD2-CG2 3.59Å; I716-V718 HydrophobicContact CG2-CG2 3.92Å; V718-L736 HydrophobicContact CB-CD1 3.84Å; V718-L736 HydrophobicContact CG1-CD1 3.8Å; V718-L736 HydrophobicContact CG2-CD1 3.99Å; V718-H780 CarbonylContact O-C 3.52Å; V718-H780 WeakPolarHBondContact O-CA 3.48Å; V718-F781 HydrophobicContact CB-CB 4.33Å; V718-F781 PolarHBondContact N-O 3.35Å; V718-F781 PolarHBondContact O-N 3.48Å; V718-I783 HydrophobicContact CG2-CD1 3.9Å; V718-I783 HydrophobicContact CG2-CG1 4.44Å; V718-I807 HydrophobicContact CG1-CG2 4.47Å; V718-I807 HydrophobicContact CG2-CD1 4.18Å; V718-I807 HydrophobicContact CG2-CG2 4.29Å; V718-V809 HydrophobicContact CG1-CG2 4.15Å
719	Y	98.2	Very high	94.1	Very high	118 Å²	118	40.3 Å²	40.3	46%	0.463	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	137.9	170.9	-57.9	-92.7	0	0	0	110	L703 E704 T717 L779 H780	L703-Y719 CarbonylContact C-O 3.59Å; L703-Y719 WeakPolarHBondContact CA-O 3.41Å; E704-Y719 PolarHBondContact N-O 3.42Å; E704-Y719 PolarHBondContact O-N 3.05Å; T717-Y719 HydrophobicContact CG2-CD2 4.28Å; T717-Y719 HydrophobicContact CG2-CE1 4.48Å; T717-Y719 HydrophobicContact CG2-CE2 3.54Å; Y719-L779 CarbonylContact C-O 3.44Å; Y719-L779 VanDerWaalsContact CA-O 3.26Å; Y719-L779 WeakPolarHBondContact CA-O 3.18Å; Y719-H780 HydrophobicContact CD1-CB 3.77Å; Y719-H780 HydrophobicContact CE1-CB 3.73Å
720	A	98.3	Very high	94	Very high	2 Å²	2	38 Å²	38	2%	0.017	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	132.3	176.7	0	0	0	0	0	111.2	K702 L703 L779 V809	K702-A720 CarbonylContact O-C 3.56Å; K702-A720 VanDerWaalsContact O-CA 3.25Å; K702-A720 WeakPolarHBondContact O-CA 3.17Å; L703-A720 HydrophobicContact CD1-CB 4.39Å; A720-L779 PolarHBondContact N-O 3.37Å; A720-L779 PolarHBondContact O-N 3.03Å; A720-V809 HydrophobicContact CB-CB 4.27Å; A720-V809 HydrophobicContact CB-CG1 3.72Å; A720-V809 HydrophobicContact CB-CG2 4.4Å
721	T	98.7	Very high	93.9	Very high	19 Å²	19	37.9 Å²	37.9	12%	0.117	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	121.7	173.3	-51.4	0	0	0	0	109.4	L701 K702 K776 K777 D778	L701-T721 HydrophobicContact CB-CG2 4.32Å; L701-T721 HydrophobicContact CD1-CG2 4.29Å; L701-T721 PolarHBondContact N-O 2.94Å; K702-T721 PolarHBondContact O-N 2.87Å; T721-K776 HydrophobicContact CG2-CB 4.48Å; T721-K777 WeakPolarHBondContact CA-O 3.4Å; T721-D778 VanDerWaalsContact CB-OD1 3.32Å; T721-D778 WeakPolarHBondContact CB-OD1 3.37Å; T721-D778 VanDerWaalsContact CG2-OD1 3.31Å; T721-D778 WeakPolarHBondContact CG2-OD1 3.47Å; T721-D778 PolarHBondContact OG1-OD1 3.42Å
722	V	98.4	Very high	94.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	144	176	60.3	0	0	0	0	109.8	I698 Y700 V734 I769 L771 K776 K777 L779	I698-V722 HydrophobicContact CG2-CG2 3.66Å; Y700-V722 HydrophobicContact CD1-CB 4.08Å; Y700-V722 HydrophobicContact CD1-CG2 4.02Å; Y700-V722 HydrophobicContact CE1-CB 4.04Å; Y700-V722 HydrophobicContact CE1-CG2 3.7Å; V722-V734 HydrophobicContact CG1-CG2 4.32Å; V722-V734 HydrophobicContact CG2-CG2 4.37Å; V722-I769 HydrophobicContact CG1-CD1 3.41Å; V722-I769 VanDerWaalsContact CG1-CD1 3.41Å; V722-L771 HydrophobicContact CG1-CD1 4.28Å; V722-L771 HydrophobicContact CG2-CD1 3.96Å; V722-K776 CarbonylContact O-C 3.52Å; V722-K776 VanDerWaalsContact O-CA 3.31Å; V722-K776 WeakPolarHBondContact O-CA 3.49Å; V722-K777 HydrophobicContact CG1-CB 4.29Å; V722-K777 PolarHBondContact N-O 2.94Å; V722-K777 PolarHBondContact O-N 3.36Å; V722-L779 HydrophobicContact CG1-CD1 3.85Å; V722-L779 HydrophobicContact CG1-CG 4.11Å
723	A	98.4	Very high	94.5	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	141.5	-175.7	0	0	0	0	0	112	I698 K699 L701 V725 E775 K776	I698-A723 WeakPolarHBondContact CA-O 3.42Å; K699-A723 PolarHBondContact N-O 3.28Å; K699-A723 PolarHBondContact O-N 2.93Å; L701-A723 HydrophobicContact CD1-CB 3.64Å; L701-A723 HydrophobicContact CG-CB 4.05Å; A723-V725 HydrophobicContact CB-CG1 4.37Å; A723-E775 VanDerWaalsContact CA-O 3.3Å; A723-E775 WeakPolarHBondContact CA-O 3.31Å; A723-K776 HydrophobicContact CB-CB 4.44Å; A723-K776 HydrophobicContact CB-CG 3.79Å
724	N	97.1	Very high	95	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	109.4	165.4	-178.1	3.2	0	0	0	109.1	N689 I698 G726 I728 L771 D772 G774 E775	N689-N724 PolarHBondContact ND2-OD1 3.36Å; I698-N724 HydrophobicContact CD1-CB 3.79Å; N724-G726 PolarHBondContact OD1-N 3.31Å; N724-I728 PolarHBondContact ND2-O 3.46Å; N724-L771 HydrophobicContact CB-CB 3.61Å; N724-L771 HydrophobicContact CB-CD1 4.34Å; N724-L771 PolarHBondContact ND2-O 3.47Å; N724-D772 WeakPolarHBondContact CB-O 3.41Å; N724-G774 WeakPolarHBondContact O-CA 3.01Å; N724-G774 PolarHBondContact O-N 3.28Å; N724-E775 PolarHBondContact N-O 3.31Å
725	V	97.4	Very high	95.3	Very high	63 Å²	63	23.6 Å²	23.6	38%	0.382	14%	0.142	S	C	.	.			trans	-107.2	2.5	176.2	-63.1	0	0	0	0	112.1	L691 G697 K699 A723	L691-V725 HydrophobicContact CD1-CG2 3.77Å; L691-V725 WeakPolarHBondContact CD2-O 3.44Å; L691-V725 HydrophobicContact CG-CG2 4.44Å; G697-V725 WeakPolarHBondContact O-CG2 3.32Å; G697-V725 PolarHBondContact O-N 2.67Å; K699-V725 HydrophobicContact CB-CG2 4.29Å; K699-V725 HydrophobicContact CD-CG2 3.73Å; K699-V725 HydrophobicContact CG-CG2 3.7Å; A723-V725 HydrophobicContact CB-CG1 4.37Å
726	G	94.1	Very high	95.5	Very high	7 Å²	7	21.2 Å²	21.2	7%	0.072	13%	0.126	C	C	.	.	S	Bend	trans	-83.9	-172.9	177.8	0	0	0	0	0	112.9	N689 G697 N724 V773	N689-G726 WeakPolarHBondContact OD1-CA 3.29Å; G697-G726 PolarHBondContact O-N 3.47Å; G697-G726 VanDerWaalsContact O-N 3.11Å; N724-G726 PolarHBondContact OD1-N 3.31Å; G726-V773 WeakPolarHBondContact O-CG1 3.48Å
727	A	89.6	Confident	95.6	Very high	87 Å²	87	21.2 Å²	21.2	72%	0.719	13%	0.126	S	C	*	.	S	Bend	trans	-93.1	-10.7	-173.7	0	0	0	0	0	114	N689	N689-A727 PolarHBondContact OD1-N 3.11Å
728	I	87.8	Confident	95.7	Very high	61 Å²	61	18.7 Å²	18.7	31%	0.313	11%	0.11	S	C	.	.	S	Bend	trans	-124.6	134.2	-173.7	-58.2	167.9	0	0	0	108.9	I631 N689 N724	I631-I728 HydrophobicContact CD1-CG2 4.22Å; I631-I728 HydrophobicContact CG1-CG2 4.34Å; N689-I728 PolarHBondContact ND2-O 3.22Å; N689-I728 PolarHBondContact OD1-N 3.23Å; N689-I728 PolarHBondContact OD1-O 3.36Å; N724-I728 PolarHBondContact ND2-O 3.46Å
729	A	87.8	Confident	95.6	Very high	19 Å²	19	20.3 Å²	20.3	16%	0.157	12%	0.118	C	C	.	.			trans	-73.1	132.2	170.3	0	0	0	0	0	109.3	Y628 L771 V773	Y628-A729 HydrophobicContact CD1-CB 4.11Å; Y628-A729 WeakPolarHBondContact CD1-O 3.47Å; Y628-A729 HydrophobicContact CE1-CB 3.46Å; Y628-A729 VanDerWaalsContact CE1-CB 3.46Å; A729-L771 WeakPolarHBondContact CA-O 3.43Å; A729-V773 HydrophobicContact CB-CG2 4.27Å
730	C	89.2	Confident	95.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	173.4	-170.7	70.7	0	0	0	0	111.7	I631 N689 L771	I631-C730 HydrophobicContact CB-CB 4.29Å; I631-C730 HydrophobicContact CG2-CB 3.77Å; N689-C730 HydrophobicContact CB-CB 4.3Å; N689-C730 PolarHBondContact ND2-SG 2.87Å; N689-C730 VanDerWaalsContact ND2-SG 3.41Å; C730-L771 PolarHBondContact N-O 2.88Å; C730-L771 PolarHBondContact O-N 2.77Å
731	E	91.4	Very high	95.1	Very high	10 Å²	10	16 Å²	16	5%	0.047	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	156.8	162.6	-64.3	-174.2	130.3	0	0	110.9	K401 A633 R768 I769	K401-E731 WeakPolarHBondContact CE-OE1 3.34Å; K401-E731 IonicContact NZ-OE1 3.8Å; K401-E731 PolarHBondContact NZ-OE1 2.78Å; A633-E731 HydrophobicContact CB-CB 3.82Å; A633-E731 WeakPolarHBondContact CB-O 3.48Å; E731-R768 IonicContact OE1-NE 2.61Å; E731-R768 IonicContact OE2-CZ 2.8Å; E731-R768 IonicContact OE2-NE 2.74Å; E731-R768 PolarHBondContact OE2-NE 3.34Å; E731-R768 IonicContact OE2-NH2 3.75Å; E731-R768 PolarHBondContact OE2-NH2 2.63Å; E731-I769 CarbonylContact C-O 3.44Å; E731-I769 WeakPolarHBondContact CA-O 3.42Å
732	E	95.5	Very high	94.8	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.019	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	141.3	173	176	57.4	-124.4	0	0	109.5	R635 I698 Y700 V734 R768 I769	R635-E732 IonicContact CZ-OE1 3.69Å; R635-E732 VanDerWaalsContact NH2-CD 3.3Å; R635-E732 IonicContact NH2-OE1 3.37Å; R635-E732 PolarHBondContact NH2-OE1 2.8Å; R635-E732 IonicContact NH2-OE2 3.38Å; R635-E732 PolarHBondContact NH2-OE2 2.94Å; I698-E732 HydrophobicContact CG1-CB 4.4Å; I698-E732 HydrophobicContact CG1-CG 4.43Å; I698-E732 WeakPolarHBondContact CG1-OE2 3.29Å; I698-E732 HydrophobicContact CG2-CG 3.96Å; Y700-E732 PolarHBondContact OH-OE1 3.45Å; E732-V734 HydrophobicContact CG-CG2 4.03Å; E732-R768 CarbonylContact O-C 3.48Å; E732-R768 WeakPolarHBondContact O-CA 3.39Å; E732-I769 HydrophobicContact CB-CG1 4.3Å; E732-I769 PolarHBondContact N-O 2.88Å; E732-I769 PolarHBondContact O-N 3.07Å
733	V	97.5	Very high	94.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	98	170.2	174.5	0	0	0	0	108.4	F103 A633 R635 Q735 R768	F103-V733 HydrophobicContact CB-CB 4.4Å; F103-V733 HydrophobicContact CB-CG1 3.42Å; F103-V733 VanDerWaalsContact CB-CG1 3.42Å; F103-V733 HydrophobicContact CB-CG2 4.03Å; F103-V733 HydrophobicContact CD1-CG1 3.83Å; F103-V733 HydrophobicContact CG-CG1 3.69Å; A633-V733 VanDerWaalsContact O-CG2 3.22Å; A633-V733 WeakPolarHBondContact O-CG2 3.5Å; R635-V733 HydrophobicContact CG-CB 3.79Å; R635-V733 HydrophobicContact CG-CG1 3.87Å; R635-V733 HydrophobicContact CG-CG2 4.21Å; V733-Q735 HydrophobicContact CG1-CG 4.04Å; V733-R768 HydrophobicContact CG2-CB 4.27Å; V733-R768 HydrophobicContact CG2-CG 4.07Å
734	V	98.5	Very high	93.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	127.1	174.2	-178	0	0	0	0	109.5	Y700 V722 E732 F766 K767 I769 L779 F781 V809	Y700-V734 HydrophobicContact CE1-CB 4.29Å; Y700-V734 HydrophobicContact CE1-CG1 3.71Å; Y700-V734 HydrophobicContact CE1-CG2 3.85Å; V722-V734 HydrophobicContact CG1-CG2 4.32Å; V722-V734 HydrophobicContact CG2-CG2 4.37Å; E732-V734 HydrophobicContact CG-CG2 4.03Å; V734-F766 CarbonylContact O-C 3.57Å; V734-F766 WeakPolarHBondContact O-CA 3.48Å; V734-K767 PolarHBondContact N-O 2.77Å; V734-K767 PolarHBondContact O-N 2.96Å; V734-I769 HydrophobicContact CG2-CD1 4.16Å; V734-I769 HydrophobicContact CG2-CG1 4.29Å; V734-L779 HydrophobicContact CB-CD1 3.9Å; V734-L779 HydrophobicContact CG1-CD1 3.98Å; V734-L779 HydrophobicContact CG2-CD1 3.61Å; V734-F781 HydrophobicContact CB-CZ 4.38Å; V734-F781 HydrophobicContact CG1-CE2 4.31Å; V734-F781 HydrophobicContact CG1-CZ 3.82Å; V734-V809 HydrophobicContact CG1-CG1 3.6Å
735	Q	98.6	Very high	92.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.6	-176.7	-56.1	167.8	43.7	0	0	109.6	G683 V733 Y737 L763 V809 G810 G811	G683-Q735 PolarHBondContact O-NE2 3.18Å; V733-Q735 HydrophobicContact CG1-CG 4.04Å; Q735-Y737 HydrophobicContact CB-CD2 4.26Å; Q735-Y737 HydrophobicContact CB-CE2 3.5Å; Q735-Y737 VanDerWaalsContact CB-CE2 3.5Å; Q735-Y737 HydrophobicContact CG-CE2 4.45Å; Q735-Y737 PolarHBondContact OE1-OH 3.47Å; Q735-L763 HydrophobicContact CB-CD1 4.11Å; Q735-V809 WeakPolarHBondContact O-CA 3.31Å; Q735-G810 PolarHBondContact N-O 3.01Å; Q735-G810 PolarHBondContact O-N 3.03Å; Q735-G811 PolarHBondContact NE2-O 2.82Å; Q735-G811 VanDerWaalsContact NE2-O 3.14Å
736	L	98.7	Very high	91.7	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	125.5	175.6	-177.1	159.8	0	0	0	109	V718 I738 A764 G765 F781 I783 I807 T808 V809	V718-L736 HydrophobicContact CB-CD1 3.84Å; V718-L736 HydrophobicContact CG1-CD1 3.8Å; V718-L736 HydrophobicContact CG2-CD1 3.99Å; L736-I738 HydrophobicContact CD2-CG2 4.26Å; L736-A764 HydrophobicContact CD2-CB 3.64Å; L736-A764 PolarHBondContact O-N 2.8Å; L736-G765 PolarHBondContact N-O 3.02Å; L736-G765 PolarHBondContact O-N 3.23Å; L736-F781 HydrophobicContact CB-CD1 4.41Å; L736-F781 HydrophobicContact CD1-CB 3.57Å; L736-F781 HydrophobicContact CD1-CD1 4.29Å; L736-F781 HydrophobicContact CD1-CD2 3.94Å; L736-F781 HydrophobicContact CD1-CG 3.69Å; L736-I783 HydrophobicContact CD2-CD1 3.92Å; L736-I783 HydrophobicContact CD2-CG1 4.1Å; L736-I807 HydrophobicContact CD1-CG2 4.47Å; L736-I807 HydrophobicContact CD2-CG2 4.29Å; L736-I807 HydrophobicContact CG-CG2 4.24Å; L736-T808 CarbonylContact C-O 3.59Å; L736-T808 VanDerWaalsContact CA-O 3.3Å; L736-T808 WeakPolarHBondContact CA-O 3.06Å; L736-V809 HydrophobicContact CB-CG2 4.2Å; L736-V809 HydrophobicContact CD1-CG2 4Å; L736-V809 HydrophobicContact CG-CG2 3.92Å
737	Y	98.6	Very high	91.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	149.8	178.1	-64.6	-88.7	0	0	0	112.4	Y660 F682 Q735 I761 Q762 L763 I807 T808 Q813	Y660-Y737 HydrophobicContact CE2-CD1 4.17Å; Y660-Y737 AromaticContact CE2-CE1 3.79Å; Y660-Y737 HydrophobicContact CE2-CE1 3.79Å; F682-Y737 HydrophobicContact CE1-CE1 4.26Å; F682-Y737 WeakPolarHBondContact CE1-OH 3.47Å; Q735-Y737 HydrophobicContact CB-CD2 4.26Å; Q735-Y737 HydrophobicContact CB-CE2 3.5Å; Q735-Y737 VanDerWaalsContact CB-CE2 3.5Å; Q735-Y737 HydrophobicContact CG-CE2 4.45Å; Q735-Y737 PolarHBondContact OE1-OH 3.47Å; Y737-I761 HydrophobicContact CD1-CD1 3.9Å; Y737-I761 HydrophobicContact CD1-CG1 3.82Å; Y737-I761 HydrophobicContact CG-CD1 4.02Å; Y737-I761 HydrophobicContact CG-CG1 4.23Å; Y737-Q762 CarbonylContact C-O 3.01Å; Y737-Q762 WeakPolarHBondContact CA-O 3.12Å; Y737-L763 HydrophobicContact CD1-CB 4.18Å; Y737-L763 HydrophobicContact CD1-CD1 4.27Å; Y737-L763 HydrophobicContact CE1-CB 3.85Å; Y737-L763 HydrophobicContact CE1-CD1 3.76Å; Y737-L763 HydrophobicContact CE1-CG 4.43Å; Y737-L763 HydrophobicContact CE2-CD1 4.18Å; Y737-I807 WeakPolarHBondContact O-CA 3.41Å; Y737-T808 PolarHBondContact N-O 3.36Å; Y737-T808 PolarHBondContact O-N 3.31Å; Y737-Q813 HydrophobicContact CE1-CG 3.84Å; Y737-Q813 HydrophobicContact CE2-CB 4.41Å; Y737-Q813 HydrophobicContact CE2-CG 3.87Å; Y737-Q813 VanDerWaalsContact CZ-CG 3.45Å; Y737-Q813 WeakPolarHBondContact OH-CG 3.49Å
738	I	97.9	Very high	90.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	142.1	169.7	63.6	175.4	0	0	0	111	L736 Q762 A764 I783 L805 R806 I807	L736-I738 HydrophobicContact CD2-CG2 4.26Å; I738-Q762 HydrophobicContact CD1-CB 4.47Å; I738-Q762 HydrophobicContact CG1-CB 3.85Å; I738-Q762 PolarHBondContact N-O 3.46Å; I738-Q762 PolarHBondContact O-N 3.49Å; I738-A764 HydrophobicContact CD1-CB 4.24Å; I738-A764 HydrophobicContact CG1-CB 4.1Å; I738-A764 HydrophobicContact CG2-CB 3.81Å; I738-I783 HydrophobicContact CG2-CD1 3.86Å; I738-L805 HydrophobicContact CB-CD2 4.31Å; I738-R806 CarbonylContact C-O 3.55Å; I738-R806 WeakPolarHBondContact CA-O 3.18Å; I738-I807 HydrophobicContact CG2-CG1 4.26Å
739	Q	95.9	Very high	89.5	Confident	34 Å²	34	29.2 Å²	29.2	16%	0.159	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	125.9	174	-56	-179.8	-89.4	0	0	109	V741 N760 I761 R806	Q739-V741 PolarHBondContact O-N 2.98Å; Q739-N760 PolarHBondContact NE2-O 3.11Å; Q739-I761 HydrophobicContact CG-CB 3.9Å; Q739-I761 HydrophobicContact CG-CD1 4.13Å; Q739-I761 HydrophobicContact CG-CG1 3.77Å; Q739-R806 HydrophobicContact CB-CB 4.28Å; Q739-R806 PolarHBondContact N-O 3.13Å; Q739-R806 PolarHBondContact O-N 2.95Å
740	W	94.2	Very high	88.8	Confident	4 Å²	4	32.8 Å²	32.8	2%	0.015	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	118.1	175.6	-70.6	95.6	0	0	0	110	K742 W754 V758 L788 V790 L805 I831	W740-K742 VanDerWaalsContact CE3-O 3.29Å; W740-W754 HydrophobicContact CB-CH2 4.39Å; W740-V758 HydrophobicContact CB-CG2 3.79Å; W740-V758 HydrophobicContact CG-CB 4.31Å; W740-V758 HydrophobicContact CG-CG1 4.21Å; W740-V758 HydrophobicContact CG-CG2 3.85Å; W740-L788 WeakPolarHBondContact CZ2-O 3.13Å; W740-V790 HydrophobicContact CD2-CG1 4.4Å; W740-V790 HydrophobicContact CH2-CG1 4.17Å; W740-V790 HydrophobicContact CZ2-CG1 3.5Å; W740-V790 VanDerWaalsContact CZ2-CG1 3.5Å; W740-L805 HydrophobicContact CB-CD2 4.44Å; W740-L805 HydrophobicContact CD2-CD2 3.37Å; W740-L805 HydrophobicContact CD2-CG 4.08Å; W740-L805 HydrophobicContact CE3-CD2 3.67Å; W740-L805 HydrophobicContact CE3-CG 3.86Å; W740-L805 HydrophobicContact CG-CD2 3.72Å; W740-L805 HydrophobicContact CH2-CD1 4.13Å; W740-L805 HydrophobicContact CH2-CD2 4.27Å; W740-L805 HydrophobicContact CH2-CG 4.12Å; W740-L805 HydrophobicContact CZ2-CD1 4.24Å; W740-L805 HydrophobicContact CZ2-CD2 4Å; W740-L805 HydrophobicContact CZ2-CG 4.3Å; W740-L805 HydrophobicContact CZ3-CD1 4.37Å; W740-L805 HydrophobicContact CZ3-CD2 4.12Å; W740-L805 HydrophobicContact CZ3-CG 3.9Å; W740-I831 HydrophobicContact CH2-CD1 3.9Å; W740-I831 HydrophobicContact CZ3-CD1 4.42Å
741	V	92.8	Very high	87.6	Confident	26 Å²	26	35.8 Å²	35.8	16%	0.158	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-34.8	171.6	-177.6	0	0	0	0	110	Q739 I748 T804 R806	Q739-V741 PolarHBondContact O-N 2.98Å; V741-I748 HydrophobicContact CG1-CG2 4.38Å; V741-I748 WeakPolarHBondContact O-CB 3.36Å; V741-I748 PolarHBondContact O-N 3.07Å; V741-T804 HydrophobicContact CB-CG2 4.32Å; V741-T804 PolarHBondContact N-O 2.98Å; V741-R806 HydrophobicContact CG2-CB 3.85Å
742	K	90.9	Very high	86.6	Confident	73 Å²	73	43.1 Å²	43.1	32%	0.317	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	135.2	170.3	-58.2	-167.5	172.9	-160.5	0	109.8	W740 T746 D747 G803 T804	W740-K742 VanDerWaalsContact CE3-O 3.29Å; K742-T746 VanDerWaalsContact CA-O 3.22Å; K742-T746 WeakPolarHBondContact CA-O 3.44Å; K742-T746 WeakPolarHBondContact CB-O 3.41Å; K742-D747 WeakPolarHBondContact CE-OD2 3.39Å; K742-D747 IonicContact NZ-OD2 3.92Å; K742-D747 PolarHBondContact NZ-OD2 2.76Å; K742-G803 WeakPolarHBondContact O-CA 3.34Å; K742-T804 PolarHBondContact N-O 3.36Å; K742-T804 VanDerWaalsContact N-O 3.11Å; K742-T804 PolarHBondContact O-N 3.22Å
743	C	85.9	Confident	85.7	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.02	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	119.9	166.4	-165.9	0	0	0	0	109.9	T746 W754 C756 Q802	C743-T746 PolarHBondContact N-O 2.79Å; C743-T746 PolarHBondContact O-N 2.9Å; C743-W754 HydrophobicContact CB-CD2 4.42Å; C743-C756 HydrophobicContact CB-CB 4.25Å; C743-C756 WeakPolarHBondContact CB-SG 3.48Å; C743-C756 WeakPolarHBondContact SG-CB 3.1Å; C743-C756 CovalentContact SG-SG 1.99Å; C743-C756 PolarHBondContact SG-SG 3.39Å; C743-Q802 CarbonylContact C-O 3.53Å; C743-Q802 WeakPolarHBondContact CA-O 3.24Å
744	G	83.4	Confident	84.8	Confident	20 Å²	20	50.7 Å²	50.7	21%	0.206	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	-130.9	-162.8	0	0	0	0	0	110.1	Q802	G744-Q802 PolarHBondContact N-O 3.47Å
745	Q	79.2	Confident	84	Confident	174 Å²	174	55.7 Å²	55.7	81%	0.813	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-11.6	176.2	-60.9	-165.9	-7.3	0	0	113.9	E755	Q745-E755 PolarHBondContact N-OE1 2.77Å; Q745-E755 VanDerWaalsContact N-OE1 3.12Å
746	T	78.8	Confident	83.6	Confident	24 Å²	24	56 Å²	56	15%	0.147	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	137.9	-173.6	-43.8	0	0	0	0	112.5	K742 C743 N750 Q753	K742-T746 VanDerWaalsContact CA-O 3.22Å; K742-T746 WeakPolarHBondContact CA-O 3.44Å; K742-T746 WeakPolarHBondContact CB-O 3.41Å; C743-T746 PolarHBondContact N-O 2.79Å; C743-T746 PolarHBondContact O-N 2.9Å; T746-N750 HydrophobicContact CG2-CB 4.05Å; T746-N750 WeakPolarHBondContact CG2-O 3.24Å; T746-Q753 HydrophobicContact CG2-CB 3.97Å; T746-Q753 WeakPolarHBondContact CG2-O 3.46Å; T746-Q753 PolarHBondContact OG1-O 2.69Å
747	D	80.2	Confident	83.2	Confident	55 Å²	55	57.8 Å²	57.8	29%	0.294	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	160.5	178.7	-144.6	-46.3	0	0	0	112.7	K742 T749 N750 W754	K742-D747 WeakPolarHBondContact CE-OD2 3.39Å; K742-D747 IonicContact NZ-OD2 3.92Å; K742-D747 PolarHBondContact NZ-OD2 2.76Å; D747-T749 PolarHBondContact O-N 3.14Å; D747-T749 VanDerWaalsContact O-N 3.11Å; D747-N750 PolarHBondContact O-N 2.87Å; D747-N750 VanDerWaalsContact O-N 3.07Å; D747-W754 PolarHBondContact O-NE1 2.8Å
748	I	73.8	Confident	82.9	Confident	57 Å²	57	58.2 Å²	58.2	29%	0.292	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-62.9	-17.2	-178.4	-164.5	167.6	0	0	0	113.5	K665 V741 N750 W754	K665-I748 PolarHBondContact NZ-O 2.04Å; K665-I748 VanDerWaalsContact NZ-O 3.14Å; V741-I748 HydrophobicContact CG1-CG2 4.38Å; V741-I748 WeakPolarHBondContact O-CB 3.36Å; V741-I748 PolarHBondContact O-N 3.07Å; I748-N750 VanDerWaalsContact C-N 3.31Å; I748-W754 HydrophobicContact CB-CZ2 4.36Å; I748-W754 HydrophobicContact CG1-CZ2 4.22Å
749	T	70.7	Confident	82.8	Confident	110 Å²	110	58.3 Å²	58.3	68%	0.675	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-77.1	-17.9	176.7	62.8	0	0	0	0	113	D747	D747-T749 PolarHBondContact O-N 3.14Å; D747-T749 VanDerWaalsContact O-N 3.11Å
750	N	72.2	Confident	82.6	Confident	94 Å²	94	59.2 Å²	59.2	50%	0.503	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-125.4	50.2	-174.2	-64.2	-14.6	0	0	0	111.2	T746 D747 I748 D752 Q753	T746-N750 HydrophobicContact CG2-CB 4.05Å; T746-N750 WeakPolarHBondContact CG2-O 3.24Å; D747-N750 PolarHBondContact O-N 2.87Å; D747-N750 VanDerWaalsContact O-N 3.07Å; I748-N750 VanDerWaalsContact C-N 3.31Å; N750-D752 VanDerWaalsContact C-N 3.25Å; N750-D752 PolarHBondContact O-N 3.43Å; N750-Q753 WeakPolarHBondContact O-CB 3.39Å; N750-Q753 PolarHBondContact O-N 3.02Å
751	E	65.1	Low	82.7	Confident	63 Å²	63	59.5 Å²	59.5	29%	0.294	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-56.9	-33	-177.3	-87.9	171	-179	0	0	114.7	K665 Q753 W754	K665-E751 WeakPolarHBondContact CE-OE1 3.27Å; K665-E751 WeakPolarHBondContact CE-OE2 3.25Å; K665-E751 IonicContact NZ-OE1 3.61Å; K665-E751 PolarHBondContact NZ-OE1 2.88Å; K665-E751 IonicContact NZ-OE2 2.88Å; K665-E751 PolarHBondContact NZ-OE2 3.16Å; E751-Q753 PolarHBondContact O-N 2.89Å; E751-W754 HydrophobicContact CB-CD2 4.43Å; E751-W754 HydrophobicContact CG-CD2 3.78Å; E751-W754 VanDerWaalsContact CG-CE2 3.48Å; E751-W754 HydrophobicContact CG-CE3 4.09Å; E751-W754 HydrophobicContact CG-CG 4.32Å; E751-W754 HydrophobicContact CG-CH2 3.95Å; E751-W754 HydrophobicContact CG-CZ2 3.65Å; E751-W754 HydrophobicContact CG-CZ3 4.1Å; E751-W754 VanDerWaalsContact O-CB 3.31Å; E751-W754 WeakPolarHBondContact O-CB 3.48Å; E751-W754 PolarHBondContact O-N 3.47Å
752	D	71.1	Confident	82.9	Confident	163 Å²	163	59.6 Å²	59.6	87%	0.872	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-60.3	-16.7	175.1	-62.3	-35.9	0	0	0	112.9	N750	N750-D752 VanDerWaalsContact C-N 3.25Å; N750-D752 PolarHBondContact O-N 3.43Å
753	Q	75.4	Confident	83.3	Confident	141 Å²	141	56.3 Å²	56.3	66%	0.659	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-108.5	11.5	177.5	-57	-62.1	-58.9	0	0	112.3	T746 N750 E751 E755	T746-Q753 HydrophobicContact CG2-CB 3.97Å; T746-Q753 WeakPolarHBondContact CG2-O 3.46Å; T746-Q753 PolarHBondContact OG1-O 2.69Å; N750-Q753 WeakPolarHBondContact O-CB 3.39Å; N750-Q753 PolarHBondContact O-N 3.02Å; E751-Q753 PolarHBondContact O-N 2.89Å; Q753-E755 PolarHBondContact O-N 2.92Å
754	W	78.7	Confident	83.9	Confident	23 Å²	23	56.2 Å²	56.2	9%	0.087	29%	0.294	C	S	.	.			trans	-64.4	130.4	176.3	-82.5	12.9	0	0	0	110.7	W740 C743 D747 I748 E751 C756 V758 N793	W740-W754 HydrophobicContact CB-CH2 4.39Å; C743-W754 HydrophobicContact CB-CD2 4.42Å; D747-W754 PolarHBondContact O-NE1 2.8Å; I748-W754 HydrophobicContact CB-CZ2 4.36Å; I748-W754 HydrophobicContact CG1-CZ2 4.22Å; E751-W754 HydrophobicContact CB-CD2 4.43Å; E751-W754 HydrophobicContact CG-CD2 3.78Å; E751-W754 VanDerWaalsContact CG-CE2 3.48Å; E751-W754 HydrophobicContact CG-CE3 4.09Å; E751-W754 HydrophobicContact CG-CG 4.32Å; E751-W754 HydrophobicContact CG-CH2 3.95Å; E751-W754 HydrophobicContact CG-CZ2 3.65Å; E751-W754 HydrophobicContact CG-CZ3 4.1Å; E751-W754 VanDerWaalsContact O-CB 3.31Å; E751-W754 WeakPolarHBondContact O-CB 3.48Å; E751-W754 PolarHBondContact O-N 3.47Å; W754-C756 WeakPolarHBondContact CB-O 3.48Å; W754-C756 PolarHBondContact O-N 2.91Å; W754-C756 VanDerWaalsContact O-N 3.14Å; W754-V758 HydrophobicContact CE3-CG2 3.85Å; W754-V758 HydrophobicContact CH2-CG2 3.69Å; W754-V758 HydrophobicContact CZ3-CB 4.46Å; W754-V758 HydrophobicContact CZ3-CG2 3.09Å; W754-N793 PolarHBondContact O-ND2 3.05Å
755	E	82.3	Confident	84.5	Confident	105 Å²	105	55.4 Å²	55.4	49%	0.491	29%	0.286	S	S	.	.	S	Bend	trans	-64	-15.3	172.4	-63.4	170.9	-143.4	0	0	111.8	Q745 Q753 N793	Q745-E755 PolarHBondContact N-OE1 2.77Å; Q745-E755 VanDerWaalsContact N-OE1 3.12Å; Q753-E755 PolarHBondContact O-N 2.92Å; E755-N793 PolarHBondContact O-N 2.63Å; E755-N793 VanDerWaalsContact O-N 3.14Å
756	C	88.9	Confident	85.4	Confident	7 Å²	7	47.7 Å²	47.7	5%	0.047	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	166.6	-175.8	90.9	0	0	0	0	112.7	C743 W754 V790 W791	C743-C756 HydrophobicContact CB-CB 4.25Å; C743-C756 WeakPolarHBondContact CB-SG 3.48Å; C743-C756 WeakPolarHBondContact SG-CB 3.1Å; C743-C756 CovalentContact SG-SG 1.99Å; C743-C756 PolarHBondContact SG-SG 3.39Å; W754-C756 WeakPolarHBondContact CB-O 3.48Å; W754-C756 PolarHBondContact O-N 2.91Å; W754-C756 VanDerWaalsContact O-N 3.14Å; C756-V790 HydrophobicContact CB-CB 4.17Å; C756-V790 HydrophobicContact CB-CG2 3.77Å; C756-W791 CarbonylContact C-O 3.57Å; C756-W791 WeakPolarHBondContact CA-O 3.08Å; C756-W791 WeakPolarHBondContact CB-O 3.24Å
757	T	91.3	Very high	86.2	Confident	36 Å²	36	49.9 Å²	49.9	22%	0.221	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	132.9	168.1	-49.1	0	0	0	0	109.4	M240 W791 N793	M240-T757 HydrophobicContact CE-CG2 3.9Å; M240-T757 VanDerWaalsContact SD-O 3.4Å; T757-W791 PolarHBondContact N-O 3.16Å; T757-W791 PolarHBondContact O-N 3.37Å; T757-W791 VanDerWaalsContact O-N 3.14Å; T757-N793 PolarHBondContact OG1-OD1 3.19Å
758	V	93	Very high	86.8	Confident	10 Å²	10	48.6 Å²	48.6	6%	0.061	25%	0.248	C	C	.	.			trans	-144.9	159.5	174.2	-65.4	0	0	0	0	110.4	W740 W754 V790	W740-V758 HydrophobicContact CB-CG2 3.79Å; W740-V758 HydrophobicContact CG-CB 4.31Å; W740-V758 HydrophobicContact CG-CG1 4.21Å; W740-V758 HydrophobicContact CG-CG2 3.85Å; W754-V758 HydrophobicContact CE3-CG2 3.85Å; W754-V758 HydrophobicContact CH2-CG2 3.69Å; W754-V758 HydrophobicContact CZ3-CB 4.46Å; W754-V758 HydrophobicContact CZ3-CG2 3.09Å; V758-V790 HydrophobicContact CG1-CB 3.52Å; V758-V790 HydrophobicContact CG1-CG1 3.27Å
759	P	94.1	Very high	87.7	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.019	24%	0.239	C	C	.	.			trans	-71.1	160.2	172.1	-13	29.1	0	0	0	112.5	R661 Y662 I761 Q762	R661-P759 HydrophobicContact CB-CB 4.05Å; R661-P759 VanDerWaalsContact NH2-CG 3.34Å; Y662-P759 HydrophobicContact CD1-CB 4.34Å; Y662-P759 HydrophobicContact CE1-CB 3.76Å; Y662-P759 HydrophobicContact CE1-CG 4.02Å; P759-I761 VanDerWaalsContact C-N 3.28Å; P759-I761 PolarHBondContact O-N 3.24Å; P759-Q762 HydrophobicContact CB-CG 3.79Å; P759-Q762 HydrophobicContact CG-CG 3.7Å
760	N	92.9	Very high	88.6	Confident	52 Å²	52	44.7 Å²	44.7	28%	0.278	22%	0.218	S	C	.	.	S	Bend	trans	-66.4	-32.8	179.6	-64.7	-27.6	0	0	0	112.3	R661 L663 Q739	R661-N760 WeakPolarHBondContact O-CB 3.33Å; R661-N760 PolarHBondContact O-N 2.72Å; L663-N760 PolarHBondContact O-ND2 2.95Å; Q739-N760 PolarHBondContact NE2-O 3.11Å
761	I	95.7	Very high	89.5	Confident	11 Å²	11	40.2 Å²	40.2	6%	0.056	19%	0.194	C	C	.	.			trans	-157.3	149.3	178.7	-176.2	164.5	0	0	0	109.4	Y660 R661 Y737 Q739 P759 P814	Y660-I761 HydrophobicContact CD2-CG2 3.56Å; Y660-I761 HydrophobicContact CE2-CG1 4.38Å; Y660-I761 HydrophobicContact CE2-CG2 3.85Å; Y660-I761 WeakPolarHBondContact O-CG2 3.19Å; R661-I761 WeakPolarHBondContact CG-O 3.2Å; Y737-I761 HydrophobicContact CD1-CD1 3.9Å; Y737-I761 HydrophobicContact CD1-CG1 3.82Å; Y737-I761 HydrophobicContact CG-CD1 4.02Å; Y737-I761 HydrophobicContact CG-CG1 4.23Å; Q739-I761 HydrophobicContact CG-CB 3.9Å; Q739-I761 HydrophobicContact CG-CD1 4.13Å; Q739-I761 HydrophobicContact CG-CG1 3.77Å; P759-I761 VanDerWaalsContact C-N 3.28Å; P759-I761 PolarHBondContact O-N 3.24Å; I761-P814 HydrophobicContact CD1-CG 3.58Å
762	Q	97.5	Very high	90.7	Very high	28 Å²	28	39.3 Å²	39.3	13%	0.131	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	133.6	179.8	-53.5	-178.7	90.7	0	0	110.5	Y737 I738 P759 A764	Y737-Q762 CarbonylContact C-O 3.01Å; Y737-Q762 WeakPolarHBondContact CA-O 3.12Å; I738-Q762 HydrophobicContact CD1-CB 4.47Å; I738-Q762 HydrophobicContact CG1-CB 3.85Å; I738-Q762 PolarHBondContact N-O 3.46Å; I738-Q762 PolarHBondContact O-N 3.49Å; P759-Q762 HydrophobicContact CB-CG 3.79Å; P759-Q762 HydrophobicContact CG-CG 3.7Å; Q762-A764 PolarHBondContact O-N 3.02Å
763	L	98.6	Very high	91.7	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	127.1	164.4	-173.3	71.9	0	0	0	107.7	F103 Y165 L166 Y660 F682 Q735 Y737 G765 F766	F103-L763 HydrophobicContact CE1-CD2 4.02Å; Y165-L763 HydrophobicContact CD1-CB 4.37Å; Y165-L763 HydrophobicContact CD1-CD2 4.13Å; Y165-L763 HydrophobicContact CD1-CG 4.01Å; Y165-L763 WeakPolarHBondContact CD1-O 3.42Å; Y165-L763 HydrophobicContact CE1-CG 4.49Å; L166-L763 HydrophobicContact CB-CD2 4.23Å; Y660-L763 WeakPolarHBondContact OH-CB 3.16Å; Y660-L763 PolarHBondContact OH-N 2.74Å; F682-L763 HydrophobicContact CE1-CD2 4.43Å; F682-L763 HydrophobicContact CZ-CD2 4.26Å; Q735-L763 HydrophobicContact CB-CD1 4.11Å; Y737-L763 HydrophobicContact CD1-CB 4.18Å; Y737-L763 HydrophobicContact CD1-CD1 4.27Å; Y737-L763 HydrophobicContact CE1-CB 3.85Å; Y737-L763 HydrophobicContact CE1-CD1 3.76Å; Y737-L763 HydrophobicContact CE1-CG 4.43Å; Y737-L763 HydrophobicContact CE2-CD1 4.18Å; L763-G765 WeakPolarHBondContact CD1-O 3.32Å; L763-F766 HydrophobicContact CD2-CD1 3.94Å
764	A	98	Very high	92.6	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	-3.3	-178.6	0	0	0	0	0	113.2	L736 I738 Q762 I783 Q787	L736-A764 HydrophobicContact CD2-CB 3.64Å; L736-A764 PolarHBondContact O-N 2.8Å; I738-A764 HydrophobicContact CD1-CB 4.24Å; I738-A764 HydrophobicContact CG1-CB 4.1Å; I738-A764 HydrophobicContact CG2-CB 3.81Å; Q762-A764 PolarHBondContact O-N 3.02Å; A764-I783 HydrophobicContact CB-CG1 4.39Å; A764-I783 HydrophobicContact CB-CG2 4.21Å; A764-Q787 PolarHBondContact O-NE2 2.84Å
765	G	97.3	Very high	93.5	Very high	3 Å²	3	33.3 Å²	33.3	3%	0.031	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	150	171	0	0	0	0	0	110.7	L736 L763	L736-G765 PolarHBondContact N-O 3.02Å; L736-G765 PolarHBondContact O-N 3.23Å; L763-G765 WeakPolarHBondContact CD1-O 3.32Å
766	F	97.8	Very high	94.3	Very high	12 Å²	12	34.9 Å²	34.9	5%	0.053	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	153.5	169.6	62.9	-85.5	0	0	0	110.3	F103 I105 Y165 L166 E169 L170 V734 L763	F103-F766 HydrophobicContact CB-CD2 3.98Å; F103-F766 HydrophobicContact CB-CE2 4.37Å; F103-F766 HydrophobicContact CD1-CB 4.09Å; F103-F766 HydrophobicContact CD1-CD2 4.08Å; F103-F766 HydrophobicContact CD1-CG 4.01Å; F103-F766 VanDerWaalsContact O-CD2 3.23Å; F103-F766 WeakPolarHBondContact O-CD2 3.48Å; F103-F766 VanDerWaalsContact O-CE2 3.26Å; F103-F766 WeakPolarHBondContact O-CE2 3.38Å; I105-F766 HydrophobicContact CD1-CE2 4.1Å; I105-F766 HydrophobicContact CD1-CZ 3.85Å; I105-F766 HydrophobicContact CG1-CE2 3.73Å; I105-F766 HydrophobicContact CG1-CZ 3.66Å; Y165-F766 HydrophobicContact CD1-CD1 4.5Å; Y165-F766 AromaticContact CE1-CD1 3.93Å; Y165-F766 HydrophobicContact CE1-CD1 3.93Å; Y165-F766 HydrophobicContact CE1-CE1 4.05Å; L166-F766 HydrophobicContact CD1-CD1 4.29Å; L166-F766 HydrophobicContact CD1-CE1 3.71Å; L166-F766 HydrophobicContact CD1-CE2 4.16Å; L166-F766 HydrophobicContact CD1-CZ 3.64Å; E169-F766 HydrophobicContact CB-CE1 4.08Å; E169-F766 HydrophobicContact CB-CZ 4.03Å; E169-F766 HydrophobicContact CG-CE1 4.19Å; L170-F766 HydrophobicContact CD2-CZ 4.42Å; V734-F766 CarbonylContact O-C 3.57Å; V734-F766 WeakPolarHBondContact O-CA 3.48Å; L763-F766 HydrophobicContact CD2-CD1 3.94Å
767	K	95.6	Very high	94.7	Very high	69 Å²	69	37.4 Å²	37.4	30%	0.3	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	127.3	172.2	-70.6	-179.2	-171.8	-77.5	0	109.2	V734 I769 L779 H780 F781	V734-K767 PolarHBondContact N-O 2.77Å; V734-K767 PolarHBondContact O-N 2.96Å; K767-I769 HydrophobicContact CB-CG2 4.16Å; K767-L779 HydrophobicContact CD-CB 4.39Å; K767-L779 HydrophobicContact CD-CD1 4.46Å; K767-L779 HydrophobicContact CD-CD2 4.24Å; K767-H780 WeakPolarHBondContact CE-O 3Å; K767-H780 PolarHBondContact NZ-O 3.5Å; K767-F781 HydrophobicContact CB-CE1 4.31Å; K767-F781 HydrophobicContact CB-CZ 4.37Å; K767-F781 HydrophobicContact CD-CE1 3.99Å; K767-F781 HydrophobicContact CD-CZ 4Å; K767-F781 HydrophobicContact CG-CE1 3.71Å; K767-F781 HydrophobicContact CG-CZ 4.06Å
768	R	93.8	Very high	95	Very high	29 Å²	29	41.6 Å²	41.6	11%	0.109	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	124.9	163.2	-169.6	176.9	-172.6	128.2	-0.6	108.9	S102 D104 K401 E731 E732 V733	S102-R768 PolarHBondContact O-NH1 3.31Å; D104-R768 HydrophobicContact CB-CB 4.34Å; D104-R768 WeakPolarHBondContact OD2-CD 3.34Å; K401-R768 VanDerWaalsContact CB-NH2 3.34Å; K401-R768 VanDerWaalsContact CG-NH2 3.33Å; K401-R768 PolarHBondContact O-NH1 2.85Å; K401-R768 PolarHBondContact O-NH2 2.9Å; E731-R768 IonicContact OE1-NE 2.61Å; E731-R768 IonicContact OE2-CZ 2.8Å; E731-R768 IonicContact OE2-NE 2.74Å; E731-R768 PolarHBondContact OE2-NE 3.34Å; E731-R768 IonicContact OE2-NH2 3.75Å; E731-R768 PolarHBondContact OE2-NH2 2.63Å; E732-R768 CarbonylContact O-C 3.48Å; E732-R768 WeakPolarHBondContact O-CA 3.39Å; V733-R768 HydrophobicContact CG2-CB 4.27Å; V733-R768 HydrophobicContact CG2-CG 4.07Å
769	I	92.4	Very high	95.1	Very high	21 Å²	21	41.8 Å²	41.8	11%	0.108	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	146.7	-176.7	59.7	159.9	0	0	0	111	V722 E731 E732 V734 K767 L771 K777 L779	V722-I769 HydrophobicContact CG1-CD1 3.41Å; V722-I769 VanDerWaalsContact CG1-CD1 3.41Å; E731-I769 CarbonylContact C-O 3.44Å; E731-I769 WeakPolarHBondContact CA-O 3.42Å; E732-I769 HydrophobicContact CB-CG1 4.3Å; E732-I769 PolarHBondContact N-O 2.88Å; E732-I769 PolarHBondContact O-N 3.07Å; V734-I769 HydrophobicContact CG2-CD1 4.16Å; V734-I769 HydrophobicContact CG2-CG1 4.29Å; K767-I769 HydrophobicContact CB-CG2 4.16Å; I769-L771 HydrophobicContact CD1-CD1 3.86Å; I769-L771 HydrophobicContact CD1-CD2 4.24Å; I769-L771 HydrophobicContact CD1-CG 3.91Å; I769-K777 HydrophobicContact CD1-CB 4.49Å; I769-K777 HydrophobicContact CD1-CD 4.36Å; I769-L779 HydrophobicContact CD1-CD1 4.11Å; I769-L779 HydrophobicContact CD1-CD2 4.33Å; I769-L779 HydrophobicContact CG2-CD2 4.03Å
770	R	88.7	Confident	95.2	Very high	63 Å²	63	47 Å²	47	24%	0.238	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	142.1	164.2	171.2	-176	158.1	-179.6	-6.3	110.4	Y628 D772 K777	Y628-R770 HydrophobicContact CD2-CG 4.1Å; Y628-R770 HydrophobicContact CE2-CG 4.1Å; Y628-R770 VanDerWaalsContact CE2-NH1 3.33Å; Y628-R770 HydrophobicContact CG-CG 4.37Å; Y628-R770 PolarHBondContact OH-NE 3.42Å; Y628-R770 PolarHBondContact OH-NH2 3.27Å; R770-D772 IonicContact CZ-OD1 3.24Å; R770-D772 IonicContact CZ-OD2 3.46Å; R770-D772 IonicContact NE-OD1 3.9Å; R770-D772 PolarHBondContact NE-OD1 3.02Å; R770-D772 IonicContact NE-OD2 3.01Å; R770-D772 IonicContact NH2-OD1 2.69Å; R770-D772 PolarHBondContact NH2-OD1 3.2Å; R770-D772 IonicContact NH2-OD2 3.04Å; R770-D772 PolarHBondContact NH2-OD2 3.32Å; R770-K777 VanDerWaalsContact O-CE 3.22Å; R770-K777 WeakPolarHBondContact O-CE 3.29Å; R770-K777 PolarHBondContact O-NZ 2.76Å
771	L	90.7	Very high	95.3	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	116.6	168.1	-71.4	163	0	0	0	110.5	I698 V722 N724 A729 C730 I769 E775 K777	I698-L771 HydrophobicContact CD1-CD1 4Å; V722-L771 HydrophobicContact CG1-CD1 4.28Å; V722-L771 HydrophobicContact CG2-CD1 3.96Å; N724-L771 HydrophobicContact CB-CB 3.61Å; N724-L771 HydrophobicContact CB-CD1 4.34Å; N724-L771 PolarHBondContact ND2-O 3.47Å; A729-L771 WeakPolarHBondContact CA-O 3.43Å; C730-L771 PolarHBondContact N-O 2.88Å; C730-L771 PolarHBondContact O-N 2.77Å; I769-L771 HydrophobicContact CD1-CD1 3.86Å; I769-L771 HydrophobicContact CD1-CD2 4.24Å; I769-L771 HydrophobicContact CD1-CG 3.91Å; L771-E775 VanDerWaalsContact CA-OE2 3.31Å; L771-E775 WeakPolarHBondContact CA-OE2 3.37Å; L771-E775 HydrophobicContact CD2-CB 4.31Å; L771-E775 HydrophobicContact CD2-CG 4.3Å; L771-K777 HydrophobicContact CD2-CB 4.07Å; L771-K777 HydrophobicContact CD2-CD 3.88Å; L771-K777 HydrophobicContact CD2-CG 3.7Å
772	D	91	Very high	95.2	Very high	44 Å²	44	50.2 Å²	50.2	24%	0.235	25%	0.254	C	S	.	.			trans	-68.7	161.2	168.7	-71.2	-35.1	0	0	0	111.1	Y628 N724 R770 G774 E775	Y628-D772 PolarHBondContact OH-OD1 2.81Å; N724-D772 WeakPolarHBondContact CB-O 3.41Å; R770-D772 IonicContact CZ-OD1 3.24Å; R770-D772 IonicContact CZ-OD2 3.46Å; R770-D772 IonicContact NE-OD1 3.9Å; R770-D772 PolarHBondContact NE-OD1 3.02Å; R770-D772 IonicContact NE-OD2 3.01Å; R770-D772 IonicContact NH2-OD1 2.69Å; R770-D772 PolarHBondContact NH2-OD1 3.2Å; R770-D772 IonicContact NH2-OD2 3.04Å; R770-D772 PolarHBondContact NH2-OD2 3.32Å; D772-G774 PolarHBondContact O-N 3.35Å; D772-E775 HydrophobicContact CB-CB 4.25Å; D772-E775 PolarHBondContact N-OE2 3.18Å; D772-E775 WeakPolarHBondContact O-CB 3.32Å; D772-E775 PolarHBondContact O-N 3.22Å
773	V	91.4	Very high	95.2	Very high	84 Å²	84	48.9 Å²	48.9	51%	0.509	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	124.9	-178.8	174.1	0	0	0	0	110.2	G726 A729 E775	G726-V773 WeakPolarHBondContact O-CG1 3.48Å; A729-V773 HydrophobicContact CB-CG2 4.27Å; V773-E775 PolarHBondContact O-N 2.84Å
774	G	95.4	Very high	94.9	Very high	56 Å²	56	50.6 Å²	50.6	58%	0.577	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	-5.7	-176.7	0	0	0	0	0	114.7	N724 D772	N724-G774 WeakPolarHBondContact O-CA 3.01Å; N724-G774 PolarHBondContact O-N 3.28Å; D772-G774 PolarHBondContact O-N 3.35Å
775	E	96.6	Very high	94.7	Very high	61 Å²	61	52.4 Å²	52.4	29%	0.285	27%	0.272	S	S	.	.			trans	-69.5	146.7	-180	-166.3	-177.2	-172.6	0	0	111.4	A723 N724 L771 D772 V773 K777	A723-E775 VanDerWaalsContact CA-O 3.3Å; A723-E775 WeakPolarHBondContact CA-O 3.31Å; N724-E775 PolarHBondContact N-O 3.31Å; L771-E775 VanDerWaalsContact CA-OE2 3.31Å; L771-E775 WeakPolarHBondContact CA-OE2 3.37Å; L771-E775 HydrophobicContact CD2-CB 4.31Å; L771-E775 HydrophobicContact CD2-CG 4.3Å; D772-E775 HydrophobicContact CB-CB 4.25Å; D772-E775 PolarHBondContact N-OE2 3.18Å; D772-E775 WeakPolarHBondContact O-CB 3.32Å; D772-E775 PolarHBondContact O-N 3.22Å; V773-E775 PolarHBondContact O-N 2.84Å; E775-K777 WeakPolarHBondContact OE1-CE 3.33Å; E775-K777 IonicContact OE1-NZ 2.7Å; E775-K777 IonicContact OE2-NZ 3.48Å
776	K	98.5	Very high	94.5	Very high	138 Å²	138	56.7 Å²	56.7	60%	0.6	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.7	170.6	-54	-177.7	-178.3	169.4	0	109	L701 T721 V722 A723	L701-K776 HydrophobicContact CD1-CD 3.98Å; T721-K776 HydrophobicContact CG2-CB 4.48Å; V722-K776 CarbonylContact O-C 3.52Å; V722-K776 VanDerWaalsContact O-CA 3.31Å; V722-K776 WeakPolarHBondContact O-CA 3.49Å; A723-K776 HydrophobicContact CB-CB 4.44Å; A723-K776 HydrophobicContact CB-CG 3.79Å
777	K	97.9	Very high	94.4	Very high	61 Å²	61	57.7 Å²	57.7	27%	0.265	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	133.3	173.2	-71.5	-175.2	179.9	-179.4	0	110.7	T721 V722 I769 R770 L771 E775 L779	T721-K777 WeakPolarHBondContact CA-O 3.4Å; V722-K777 HydrophobicContact CG1-CB 4.29Å; V722-K777 PolarHBondContact N-O 2.94Å; V722-K777 PolarHBondContact O-N 3.36Å; I769-K777 HydrophobicContact CD1-CB 4.49Å; I769-K777 HydrophobicContact CD1-CD 4.36Å; R770-K777 VanDerWaalsContact O-CE 3.22Å; R770-K777 WeakPolarHBondContact O-CE 3.29Å; R770-K777 PolarHBondContact O-NZ 2.76Å; L771-K777 HydrophobicContact CD2-CB 4.07Å; L771-K777 HydrophobicContact CD2-CD 3.88Å; L771-K777 HydrophobicContact CD2-CG 3.7Å; E775-K777 WeakPolarHBondContact OE1-CE 3.33Å; E775-K777 IonicContact OE1-NZ 2.7Å; E775-K777 IonicContact OE2-NZ 3.48Å; K777-L779 HydrophobicContact CB-CD2 4.28Å
778	D	98	Very high	94.4	Very high	124 Å²	124	54.5 Å²	54.5	66%	0.663	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	117.4	167.9	-66.6	-37.8	0	0	0	108.6	T721	T721-D778 VanDerWaalsContact CB-OD1 3.32Å; T721-D778 WeakPolarHBondContact CB-OD1 3.37Å; T721-D778 VanDerWaalsContact CG2-OD1 3.31Å; T721-D778 WeakPolarHBondContact CG2-OD1 3.47Å; T721-D778 PolarHBondContact OG1-OD1 3.42Å
779	L	95.8	Very high	94.4	Very high	14 Å²	14	54.3 Å²	54.3	7%	0.073	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	144.3	179.3	-55.4	-178.4	0	0	0	109.5	Y719 A720 V722 V734 K767 I769 K777 F781	Y719-L779 CarbonylContact C-O 3.44Å; Y719-L779 VanDerWaalsContact CA-O 3.26Å; Y719-L779 WeakPolarHBondContact CA-O 3.18Å; A720-L779 PolarHBondContact N-O 3.37Å; A720-L779 PolarHBondContact O-N 3.03Å; V722-L779 HydrophobicContact CG1-CD1 3.85Å; V722-L779 HydrophobicContact CG1-CG 4.11Å; V734-L779 HydrophobicContact CB-CD1 3.9Å; V734-L779 HydrophobicContact CG1-CD1 3.98Å; V734-L779 HydrophobicContact CG2-CD1 3.61Å; K767-L779 HydrophobicContact CD-CB 4.39Å; K767-L779 HydrophobicContact CD-CD1 4.46Å; K767-L779 HydrophobicContact CD-CD2 4.24Å; I769-L779 HydrophobicContact CD1-CD1 4.11Å; I769-L779 HydrophobicContact CD1-CD2 4.33Å; I769-L779 HydrophobicContact CG2-CD2 4.03Å; K777-L779 HydrophobicContact CB-CD2 4.28Å; L779-F781 HydrophobicContact CB-CE2 3.8Å; L779-F781 HydrophobicContact CB-CZ 4.33Å; L779-F781 HydrophobicContact CD1-CE2 4.32Å; L779-F781 HydrophobicContact CD1-CZ 4.21Å
780	H	94.6	Very high	94.5	Very high	112 Å²	112	53.5 Å²	53.5	52%	0.519	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	141.1	170.5	68.8	-88.6	0	0	0	110.1	V718 Y719 K767	V718-H780 CarbonylContact O-C 3.52Å; V718-H780 WeakPolarHBondContact O-CA 3.48Å; Y719-H780 HydrophobicContact CD1-CB 3.77Å; Y719-H780 HydrophobicContact CE1-CB 3.73Å; K767-H780 WeakPolarHBondContact CE-O 3Å; K767-H780 PolarHBondContact NZ-O 3.5Å
781	F	95.4	Very high	94.8	Very high	11 Å²	11	50.7 Å²	50.7	5%	0.048	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	147.4	173.8	-58.7	-95.8	0	0	0	108.9	T717 V718 V734 L736 K767 L779	T717-F781 WeakPolarHBondContact CA-O 3.35Å; V718-F781 HydrophobicContact CB-CB 4.33Å; V718-F781 PolarHBondContact N-O 3.35Å; V718-F781 PolarHBondContact O-N 3.48Å; V734-F781 HydrophobicContact CB-CZ 4.38Å; V734-F781 HydrophobicContact CG1-CE2 4.31Å; V734-F781 HydrophobicContact CG1-CZ 3.82Å; L736-F781 HydrophobicContact CB-CD1 4.41Å; L736-F781 HydrophobicContact CD1-CB 3.57Å; L736-F781 HydrophobicContact CD1-CD1 4.29Å; L736-F781 HydrophobicContact CD1-CD2 3.94Å; L736-F781 HydrophobicContact CD1-CG 3.69Å; K767-F781 HydrophobicContact CB-CE1 4.31Å; K767-F781 HydrophobicContact CB-CZ 4.37Å; K767-F781 HydrophobicContact CD-CE1 3.99Å; K767-F781 HydrophobicContact CD-CZ 4Å; K767-F781 HydrophobicContact CG-CE1 3.71Å; K767-F781 HydrophobicContact CG-CZ 4.06Å; L779-F781 HydrophobicContact CB-CE2 3.8Å; L779-F781 HydrophobicContact CB-CZ 4.33Å; L779-F781 HydrophobicContact CD1-CE2 4.32Å; L779-F781 HydrophobicContact CD1-CZ 4.21Å
782	Q	94.5	Very high	95	Very high	119 Å²	119	51.3 Å²	51.3	56%	0.556	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	112.6	174.7	-170.8	178.1	-11.9	0	0	108.7	P715 I716	P715-Q782 HydrophobicContact CB-CG 3.75Å; I716-Q782 WeakPolarHBondContact O-CA 3.5Å
783	I	96.3	Very high	94.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	114.8	174.1	-49.4	164.9	0	0	0	106.8	P715 I716 V718 L736 I738 A764 Q787 L788 I807	P715-I783 CarbonylContact C-O 3.4Å; P715-I783 WeakPolarHBondContact CA-O 3.45Å; P715-I783 WeakPolarHBondContact CB-O 3.37Å; I716-I783 HydrophobicContact CB-CB 4.28Å; I716-I783 HydrophobicContact CB-CD1 4.22Å; I716-I783 HydrophobicContact CG2-CD1 4.19Å; I716-I783 PolarHBondContact N-O 2.93Å; I716-I783 PolarHBondContact O-N 2.89Å; V718-I783 HydrophobicContact CG2-CD1 3.9Å; V718-I783 HydrophobicContact CG2-CG1 4.44Å; L736-I783 HydrophobicContact CD2-CD1 3.92Å; L736-I783 HydrophobicContact CD2-CG1 4.1Å; I738-I783 HydrophobicContact CG2-CD1 3.86Å; A764-I783 HydrophobicContact CB-CG1 4.39Å; A764-I783 HydrophobicContact CB-CG2 4.21Å; I783-Q787 HydrophobicContact CG2-CB 3.93Å; I783-L788 HydrophobicContact CG2-CD2 3.65Å; I783-L788 HydrophobicContact CG2-CG 3.88Å; I783-I807 HydrophobicContact CD1-CD1 3.84Å; I783-I807 HydrophobicContact CD1-CG1 4.47Å
784	S	94	Very high	94.7	Very high	41 Å²	41	56 Å²	56	29%	0.287	30%	0.295	S	S	.	.			trans	-73.9	155.9	-176.2	65.8	0	0	0	0	112.5	D786 Q787 L788	S784-D786 PolarHBondContact O-N 3.2Å; S784-Q787 PolarHBondContact O-N 3.44Å; S784-Q787 VanDerWaalsContact O-N 3.08Å; S784-Q787 WeakPolarHBondContact OG-CG 3.26Å; S784-Q787 PolarHBondContact OG-N 3.29Å; S784-Q787 PolarHBondContact OG-OE1 3.26Å; S784-L788 WeakPolarHBondContact O-CG 3.38Å; S784-L788 PolarHBondContact O-N 2.99Å; S784-L788 VanDerWaalsContact O-N 3.15Å
785	P	93.6	Very high	94.5	Very high	38 Å²	38	57.9 Å²	57.9	25%	0.247	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-33.6	173.1	-27.1	36.1	0	0	0	114	N713 Q787 L788 S789	N713-P785 WeakPolarHBondContact O-CG 3.45Å; P785-Q787 VanDerWaalsContact C-N 3.34Å; P785-Q787 PolarHBondContact O-N 3.03Å; P785-L788 CarbonylContact O-C 3.57Å; P785-L788 PolarHBondContact O-N 2.81Å; P785-L788 VanDerWaalsContact O-N 3.13Å; P785-S789 PolarHBondContact O-N 3.48Å; P785-S789 PolarHBondContact O-OG 3.47Å
786	D	92.5	Very high	94.3	Very high	93 Å²	93	60.8 Å²	60.8	50%	0.497	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-37.9	177.4	-77.5	19.7	0	0	0	111.2	R247 S784 L788 S789	R247-D786 IonicContact CZ-OD2 3.76Å; R247-D786 IonicContact NH1-OD2 3.75Å; R247-D786 PolarHBondContact NH1-OD2 3.14Å; R247-D786 VanDerWaalsContact NH1-OD2 3.16Å; R247-D786 IonicContact NH2-OD2 3.14Å; R247-D786 PolarHBondContact NH2-OD2 2.86Å; S784-D786 PolarHBondContact O-N 3.2Å; D786-L788 VanDerWaalsContact C-N 3.3Å; D786-L788 PolarHBondContact O-N 3.38Å; D786-S789 WeakPolarHBondContact O-CB 3.24Å; D786-S789 PolarHBondContact O-N 3.2Å
787	Q	95.2	Very high	94.1	Very high	34 Å²	34	56.4 Å²	56.4	16%	0.159	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-24.3	173.1	-68.5	168	-70.2	0	0	113.2	Y165 A764 I783 S784 P785 S789	Y165-Q787 HydrophobicContact CD2-CG 4.42Å; A764-Q787 PolarHBondContact O-NE2 2.84Å; I783-Q787 HydrophobicContact CG2-CB 3.93Å; S784-Q787 PolarHBondContact O-N 3.44Å; S784-Q787 VanDerWaalsContact O-N 3.08Å; S784-Q787 WeakPolarHBondContact OG-CG 3.26Å; S784-Q787 PolarHBondContact OG-N 3.29Å; S784-Q787 PolarHBondContact OG-OE1 3.26Å; P785-Q787 VanDerWaalsContact C-N 3.34Å; P785-Q787 PolarHBondContact O-N 3.03Å; Q787-S789 VanDerWaalsContact C-N 3.33Å
788	L	95.8	Very high	93.9	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-0.3	175.7	-59.9	173.7	0	0	0	112.7	I716 W740 I783 S784 P785 D786 G801 L805 I831	I716-L788 HydrophobicContact CD1-CD1 3.9Å; I716-L788 HydrophobicContact CD1-CD2 4.03Å; I716-L788 HydrophobicContact CG1-CD1 3.96Å; W740-L788 WeakPolarHBondContact CZ2-O 3.13Å; I783-L788 HydrophobicContact CG2-CD2 3.65Å; I783-L788 HydrophobicContact CG2-CG 3.88Å; S784-L788 WeakPolarHBondContact O-CG 3.38Å; S784-L788 PolarHBondContact O-N 2.99Å; S784-L788 VanDerWaalsContact O-N 3.15Å; P785-L788 CarbonylContact O-C 3.57Å; P785-L788 PolarHBondContact O-N 2.81Å; P785-L788 VanDerWaalsContact O-N 3.13Å; D786-L788 VanDerWaalsContact C-N 3.3Å; D786-L788 PolarHBondContact O-N 3.38Å; L788-G801 VanDerWaalsContact O-CA 3.32Å; L788-G801 WeakPolarHBondContact O-CA 3.46Å; L788-G801 PolarHBondContact O-N 3.33Å; L788-L805 HydrophobicContact CD2-CD1 3.51Å; L788-I831 HydrophobicContact CD1-CD1 4.16Å; L788-I831 HydrophobicContact CD2-CD1 4.07Å; L788-I831 HydrophobicContact CG-CD1 4.49Å
789	S	94.9	Very high	93.7	Very high	26 Å²	26	52.3 Å²	52.3	18%	0.182	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	146.6	178.2	-63.3	0	0	0	0	111.1	P785 D786 Q787 V799	P785-S789 PolarHBondContact O-N 3.48Å; P785-S789 PolarHBondContact O-OG 3.47Å; D786-S789 WeakPolarHBondContact O-CB 3.24Å; D786-S789 PolarHBondContact O-N 3.2Å; Q787-S789 VanDerWaalsContact C-N 3.33Å; S789-V799 CarbonylContact C-O 3.59Å; S789-V799 VanDerWaalsContact CA-O 3.31Å; S789-V799 WeakPolarHBondContact CA-O 3.34Å
790	V	94.7	Very high	93.7	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.018	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	155.9	-177.1	-54.3	0	0	0	0	109.7	W740 C756 V758 M798 V799	W740-V790 HydrophobicContact CD2-CG1 4.4Å; W740-V790 HydrophobicContact CH2-CG1 4.17Å; W740-V790 HydrophobicContact CZ2-CG1 3.5Å; W740-V790 VanDerWaalsContact CZ2-CG1 3.5Å; C756-V790 HydrophobicContact CB-CB 4.17Å; C756-V790 HydrophobicContact CB-CG2 3.77Å; V758-V790 HydrophobicContact CG1-CB 3.52Å; V758-V790 HydrophobicContact CG1-CG1 3.27Å; V790-M798 WeakPolarHBondContact O-CA 3.23Å; V790-V799 HydrophobicContact CG2-CG2 3.9Å; V790-V799 PolarHBondContact N-O 3.39Å; V790-V799 PolarHBondContact O-N 2.92Å
791	W	94.8	Very high	93.6	Very high	5 Å²	5	48.5 Å²	48.5	2%	0.019	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	120.6	174.2	178	-98.6	0	0	0	110.6	E235 H236 W239 M240 C756 T757 K796 S797 M798	E235-W791 HydrophobicContact CB-CH2 4Å; E235-W791 HydrophobicContact CB-CZ2 4.12Å; E235-W791 VanDerWaalsContact CD-CH2 3.42Å; E235-W791 HydrophobicContact CG-CH2 3.5Å; E235-W791 VanDerWaalsContact CG-CH2 3.5Å; E235-W791 HydrophobicContact CG-CZ2 4.1Å; E235-W791 HydrophobicContact CG-CZ3 4.25Å; H236-W791 HydrophobicContact CB-CB 4.05Å; H236-W791 HydrophobicContact CB-CD2 3.59Å; H236-W791 HydrophobicContact CB-CE3 4.25Å; H236-W791 HydrophobicContact CB-CG 3.45Å; H236-W791 VanDerWaalsContact CB-CG 3.45Å; W239-W791 HydrophobicContact CB-CE3 4.44Å; W239-W791 HydrophobicContact CB-CZ3 4.38Å; W239-W791 AromaticContact CD1-CZ3 3.37Å; W239-W791 HydrophobicContact CG-CZ3 4.03Å; M240-W791 HydrophobicContact CE-CB 4.41Å; M240-W791 HydrophobicContact SD-CB 4.02Å; C756-W791 CarbonylContact C-O 3.57Å; C756-W791 WeakPolarHBondContact CA-O 3.08Å; C756-W791 WeakPolarHBondContact CB-O 3.24Å; T757-W791 PolarHBondContact N-O 3.16Å; T757-W791 PolarHBondContact O-N 3.37Å; T757-W791 VanDerWaalsContact O-N 3.14Å; W791-K796 HydrophobicContact CH2-CB 4.46Å; W791-K796 WeakPolarHBondContact CH2-O 3.44Å; W791-K796 VanDerWaalsContact CZ2-CA 3.44Å; W791-K796 HydrophobicContact CZ2-CB 3.99Å; W791-K796 HydrophobicContact CZ2-CD 4.31Å; W791-S797 VanDerWaalsContact CZ3-CA 3.41Å; W791-M798 HydrophobicContact CB-SD 4.16Å; W791-M798 HydrophobicContact CE3-CG 4.3Å; W791-M798 HydrophobicContact CE3-SD 3.91Å
792	S	93.3	Very high	93.4	Very high	12 Å²	12	51.6 Å²	51.6	8%	0.084	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	121.7	174.1	176.8	0	0	0	0	111.1	Q794 N795 K796 S797	S792-Q794 VanDerWaalsContact C-N 3.26Å; S792-Q794 PolarHBondContact O-N 3.4Å; S792-N795 PolarHBondContact OG-N 3.09Å; S792-K796 WeakPolarHBondContact O-CA 3.09Å; S792-K796 PolarHBondContact O-N 3.34Å; S792-S797 PolarHBondContact N-O 2.86Å
793	N	88.9	Confident	93.4	Very high	56 Å²	56	46.6 Å²	46.6	30%	0.299	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-31.1	177.3	-74.9	-33.7	0	0	0	112.7	W754 E755 T757 K796	W754-N793 PolarHBondContact O-ND2 3.05Å; E755-N793 PolarHBondContact O-N 2.63Å; E755-N793 VanDerWaalsContact O-N 3.14Å; T757-N793 PolarHBondContact OG1-OD1 3.19Å; N793-K796 WeakPolarHBondContact O-CD 3.46Å; N793-K796 WeakPolarHBondContact O-CE 3.21Å; N793-K796 PolarHBondContact O-NZ 3.4Å
794	Q	88.7	Confident	93.3	Very high	172 Å²	172	47.6 Å²	47.6	80%	0.804	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-51.7	177.5	-177.1	-179.3	12.6	0	0	111.9	S792 K796	S792-Q794 VanDerWaalsContact C-N 3.26Å; S792-Q794 PolarHBondContact O-N 3.4Å; Q794-K796 VanDerWaalsContact C-N 3.31Å; Q794-K796 PolarHBondContact O-N 2.95Å
795	N	90.2	Very high	93.3	Very high	95 Å²	95	45.7 Å²	45.7	51%	0.508	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-9.1	-174.6	-61.4	-16.4	0	0	0	113.2	S792 S797	S792-N795 PolarHBondContact OG-N 3.09Å; N795-S797 VanDerWaalsContact C-N 3.25Å; N795-S797 WeakPolarHBondContact CB-OG 3.32Å; N795-S797 PolarHBondContact O-N 3.46Å; N795-S797 PolarHBondContact O-OG 2.64Å; N795-S797 VanDerWaalsContact O-OG 3.1Å
796	K	92	Very high	93.5	Very high	121 Å²	121	47.6 Å²	47.6	53%	0.526	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	49.5	-175.2	-58.2	-62	-175	-171.2	0	111.8	W791 S792 N793 Q794	W791-K796 HydrophobicContact CH2-CB 4.46Å; W791-K796 WeakPolarHBondContact CH2-O 3.44Å; W791-K796 VanDerWaalsContact CZ2-CA 3.44Å; W791-K796 HydrophobicContact CZ2-CB 3.99Å; W791-K796 HydrophobicContact CZ2-CD 4.31Å; S792-K796 WeakPolarHBondContact O-CA 3.09Å; S792-K796 PolarHBondContact O-N 3.34Å; N793-K796 WeakPolarHBondContact O-CD 3.46Å; N793-K796 WeakPolarHBondContact O-CE 3.21Å; N793-K796 PolarHBondContact O-NZ 3.4Å; Q794-K796 VanDerWaalsContact C-N 3.31Å; Q794-K796 PolarHBondContact O-N 2.95Å
797	S	94.3	Very high	93.8	Very high	47 Å²	47	43.2 Å²	43.2	33%	0.329	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	159.8	-177.7	46	0	0	0	0	111	W791 S792 N795 V799	W791-S797 VanDerWaalsContact CZ3-CA 3.41Å; S792-S797 PolarHBondContact N-O 2.86Å; N795-S797 VanDerWaalsContact C-N 3.25Å; N795-S797 WeakPolarHBondContact CB-OG 3.32Å; N795-S797 PolarHBondContact O-N 3.46Å; N795-S797 PolarHBondContact O-OG 2.64Å; N795-S797 VanDerWaalsContact O-OG 3.1Å; S797-V799 PolarHBondContact O-N 3.43Å
798	M	95	Very high	93.9	Very high	63 Å²	63	41.7 Å²	41.7	31%	0.31	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	128.6	168.9	-64.9	-58.6	-65.6	0	0	109.9	W239 M240 V790 W791	W239-M798 HydrophobicContact CB-CG 3.79Å; W239-M798 HydrophobicContact CB-SD 3.93Å; W239-M798 HydrophobicContact CD2-CG 4.5Å; W239-M798 HydrophobicContact CG-CG 4.17Å; M240-M798 HydrophobicContact CG-CE 4.04Å; M240-M798 HydrophobicContact CG-SD 3.82Å; V790-M798 WeakPolarHBondContact O-CA 3.23Å; W791-M798 HydrophobicContact CB-SD 4.16Å; W791-M798 HydrophobicContact CE3-CG 4.3Å; W791-M798 HydrophobicContact CE3-SD 3.91Å
799	V	94.2	Very high	94.1	Very high	35 Å²	35	41.7 Å²	41.7	21%	0.212	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	155.7	176.9	-60.6	0	0	0	0	110.2	S789 V790 S797 G801	S789-V799 CarbonylContact C-O 3.59Å; S789-V799 VanDerWaalsContact CA-O 3.31Å; S789-V799 WeakPolarHBondContact CA-O 3.34Å; V790-V799 HydrophobicContact CG2-CG2 3.9Å; V790-V799 PolarHBondContact N-O 3.39Å; V790-V799 PolarHBondContact O-N 2.92Å; S797-V799 PolarHBondContact O-N 3.43Å; V799-G801 PolarHBondContact O-N 3.43Å
800	P	94.2	Very high	94.2	Very high	47 Å²	47	40.5 Å²	40.5	31%	0.305	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	126.5	171	-24.5	34.7	0	0	0	111.2	P712 N713	P712-P800 HydrophobicContact CB-CB 3.56Å; N713-P800 VanDerWaalsContact OD1-CB 3.22Å; N713-P800 WeakPolarHBondContact OD1-CB 3.42Å; N713-P800 WeakPolarHBondContact OD1-CG 3.36Å
801	G	92.5	Very high	94.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.207	C	C	.	.			trans	-66.4	149	-178.7	0	0	0	0	0	113.1	P712 L788 V799 I831	P712-G801 WeakPolarHBondContact CB-O 3.38Å; L788-G801 VanDerWaalsContact O-CA 3.32Å; L788-G801 WeakPolarHBondContact O-CA 3.46Å; L788-G801 PolarHBondContact O-N 3.33Å; V799-G801 PolarHBondContact O-N 3.43Å; G801-I831 WeakPolarHBondContact O-CG2 3.44Å
802	Q	92.4	Very high	94.5	Very high	76 Å²	76	40.6 Å²	40.6	36%	0.355	21%	0.209	S	C	.	.			trans	-135.5	143.4	175.7	-71	175.6	52.1	0	0	108.6	P712 C743 G744 H833	P712-Q802 HydrophobicContact CB-CG 4.36Å; P712-Q802 HydrophobicContact CG-CG 3.62Å; C743-Q802 CarbonylContact C-O 3.53Å; C743-Q802 WeakPolarHBondContact CA-O 3.24Å; G744-Q802 PolarHBondContact N-O 3.47Å; Q802-H833 VanDerWaalsContact CD-NE2 3.34Å; Q802-H833 PolarHBondContact NE2-NE2 3.45Å; Q802-H833 PolarHBondContact OE1-CD2 3.14Å; Q802-H833 VanDerWaalsContact OE1-CD2 3.26Å
803	G	93.1	Very high	94.6	Very high	13 Å²	13	40.8 Å²	40.8	13%	0.134	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	132.9	-137.7	177.4	0	0	0	0	0	113.3	K742 I831	K742-G803 WeakPolarHBondContact O-CA 3.34Å; G803-I831 PolarHBondContact N-O 3.46Å; G803-I831 PolarHBondContact O-N 3.01Å
804	T	94.5	Very high	94.8	Very high	22 Å²	22	38.6 Å²	38.6	14%	0.135	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	126.1	-173.8	-59	0	0	0	0	110	V741 K742 I828	V741-T804 HydrophobicContact CB-CG2 4.32Å; V741-T804 PolarHBondContact N-O 2.98Å; K742-T804 PolarHBondContact N-O 3.36Å; K742-T804 VanDerWaalsContact N-O 3.11Å; K742-T804 PolarHBondContact O-N 3.22Å; T804-I828 HydrophobicContact CG2-CG2 3.38Å
805	L	95.6	Very high	94.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	135.6	178.3	-80.2	171.8	0	0	0	110.7	I716 I738 W740 L788 I828 V829 I831	I716-L805 HydrophobicContact CD1-CD1 4.16Å; I738-L805 HydrophobicContact CB-CD2 4.31Å; W740-L805 HydrophobicContact CB-CD2 4.44Å; W740-L805 HydrophobicContact CD2-CD2 3.37Å; W740-L805 HydrophobicContact CD2-CG 4.08Å; W740-L805 HydrophobicContact CE3-CD2 3.67Å; W740-L805 HydrophobicContact CE3-CG 3.86Å; W740-L805 HydrophobicContact CG-CD2 3.72Å; W740-L805 HydrophobicContact CH2-CD1 4.13Å; W740-L805 HydrophobicContact CH2-CD2 4.27Å; W740-L805 HydrophobicContact CH2-CG 4.12Å; W740-L805 HydrophobicContact CZ2-CD1 4.24Å; W740-L805 HydrophobicContact CZ2-CD2 4Å; W740-L805 HydrophobicContact CZ2-CG 4.3Å; W740-L805 HydrophobicContact CZ3-CD1 4.37Å; W740-L805 HydrophobicContact CZ3-CD2 4.12Å; W740-L805 HydrophobicContact CZ3-CG 3.9Å; L788-L805 HydrophobicContact CD2-CD1 3.51Å; L805-I828 CarbonylContact O-C 2.83Å; L805-I828 VanDerWaalsContact O-CA 3.3Å; L805-I828 WeakPolarHBondContact O-CA 3.28Å; L805-V829 PolarHBondContact N-O 3.49Å; L805-V829 PolarHBondContact O-N 3.49Å; L805-I831 HydrophobicContact CD1-CD1 3.37Å; L805-I831 HydrophobicContact CD1-CG1 4.24Å; L805-I831 HydrophobicContact CG-CD1 4.28Å
806	R	96.7	Very high	95	Very high	79 Å²	79	28 Å²	28	30%	0.298	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	127.8	159.8	177.2	-171.6	-67	-174.4	0.7	108.3	I738 Q739 V741 T808 I826 G827 I828	I738-R806 CarbonylContact C-O 3.55Å; I738-R806 WeakPolarHBondContact CA-O 3.18Å; Q739-R806 HydrophobicContact CB-CB 4.28Å; Q739-R806 PolarHBondContact N-O 3.13Å; Q739-R806 PolarHBondContact O-N 2.95Å; V741-R806 HydrophobicContact CG2-CB 3.85Å; R806-T808 HydrophobicContact CG-CG2 4.24Å; R806-I826 HydrophobicContact CG-CD1 3.73Å; R806-I826 HydrophobicContact CG-CG1 3.85Å; R806-G827 WeakPolarHBondContact CA-O 3.25Å; R806-I828 HydrophobicContact CB-CD1 3.91Å; R806-I828 HydrophobicContact CG-CD1 4.29Å
807	I	98.4	Very high	94.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.3	175.5	-60.9	178.7	0	0	0	107.6	L705 I716 V718 L736 Y737 I738 I783 I826 G827 V829	L705-I807 HydrophobicContact CD1-CB 4.31Å; L705-I807 HydrophobicContact CD2-CB 4.37Å; L705-I807 HydrophobicContact CD2-CD1 3.94Å; L705-I807 HydrophobicContact CD2-CG2 4.17Å; I716-I807 HydrophobicContact CG2-CD1 4.01Å; V718-I807 HydrophobicContact CG1-CG2 4.47Å; V718-I807 HydrophobicContact CG2-CD1 4.18Å; V718-I807 HydrophobicContact CG2-CG2 4.29Å; L736-I807 HydrophobicContact CD1-CG2 4.47Å; L736-I807 HydrophobicContact CD2-CG2 4.29Å; L736-I807 HydrophobicContact CG-CG2 4.24Å; Y737-I807 WeakPolarHBondContact O-CA 3.41Å; I738-I807 HydrophobicContact CG2-CG1 4.26Å; I783-I807 HydrophobicContact CD1-CD1 3.84Å; I783-I807 HydrophobicContact CD1-CG1 4.47Å; I807-I826 WeakPolarHBondContact O-CA 3.2Å; I807-G827 PolarHBondContact N-O 3.4Å; I807-G827 PolarHBondContact O-N 3.13Å; I807-V829 HydrophobicContact CD1-CB 4.29Å; I807-V829 HydrophobicContact CD1-CG2 3.68Å
808	T	98.5	Very high	94.6	Very high	2 Å²	2	25 Å²	25	1%	0.012	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	146.3	174.6	60.3	0	0	0	0	111.2	L736 Y737 R806 P814 Y824 L825 I826	L736-T808 CarbonylContact C-O 3.59Å; L736-T808 VanDerWaalsContact CA-O 3.3Å; L736-T808 WeakPolarHBondContact CA-O 3.06Å; Y737-T808 PolarHBondContact N-O 3.36Å; Y737-T808 PolarHBondContact O-N 3.31Å; R806-T808 HydrophobicContact CG-CG2 4.24Å; T808-P814 HydrophobicContact CG2-CB 3.94Å; T808-P814 HydrophobicContact CG2-CG 4.12Å; T808-P814 WeakPolarHBondContact OG1-CG 3.36Å; T808-Y824 HydrophobicContact CG2-CD2 4.19Å; T808-Y824 HydrophobicContact CG2-CE2 4.26Å; T808-L825 CarbonylContact C-O 3.55Å; T808-L825 WeakPolarHBondContact CA-O 3.42Å; T808-L825 WeakPolarHBondContact CB-O 3.4Å; T808-I826 HydrophobicContact CG2-CB 4.04Å; T808-I826 HydrophobicContact CG2-CD1 4.18Å; T808-I826 HydrophobicContact CG2-CG1 3.89Å
809	V	98.7	Very high	94.5	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	127.4	176.3	-177.8	0	0	0	0	109.3	Y700 L703 V718 A720 V734 Q735 L736 Y824 L825	Y700-V809 HydrophobicContact CD1-CG1 4.3Å; Y700-V809 HydrophobicContact CE1-CG1 4.44Å; L703-V809 HydrophobicContact CD1-CB 4.28Å; L703-V809 HydrophobicContact CD1-CG2 3.67Å; V718-V809 HydrophobicContact CG1-CG2 4.15Å; A720-V809 HydrophobicContact CB-CB 4.27Å; A720-V809 HydrophobicContact CB-CG1 3.72Å; A720-V809 HydrophobicContact CB-CG2 4.4Å; V734-V809 HydrophobicContact CG1-CG1 3.6Å; Q735-V809 WeakPolarHBondContact O-CA 3.31Å; L736-V809 HydrophobicContact CB-CG2 4.2Å; L736-V809 HydrophobicContact CD1-CG2 4Å; L736-V809 HydrophobicContact CG-CG2 3.92Å; V809-Y824 CarbonylContact O-C 3.23Å; V809-Y824 WeakPolarHBondContact O-CA 3.46Å; V809-L825 PolarHBondContact N-O 3.3Å; V809-L825 PolarHBondContact O-N 3.43Å
810	G	98.3	Very high	94.5	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.5	-174.2	-178.3	0	0	0	0	0	113	Y700 Q735	Y700-G810 VanDerWaalsContact CZ-CA 3.49Å; Y700-G810 PolarHBondContact OH-O 2.68Å; Q735-G810 PolarHBondContact N-O 3.01Å; Q735-G810 PolarHBondContact O-N 3.03Å
811	G	97.4	Very high	94.3	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-88.1	7.4	176.1	0	0	0	0	0	113.2	R635 Y700 Q735	R635-G811 PolarHBondContact NE-O 3.46Å; Y700-G811 WeakPolarHBondContact OH-CA 2.98Å; Y700-G811 PolarHBondContact OH-N 2.89Å; Q735-G811 PolarHBondContact NE2-O 2.82Å; Q735-G811 VanDerWaalsContact NE2-O 3.14Å
812	Q	96.4	Very high	94.4	Very high	11 Å²	11	22.3 Å²	22.3	5%	0.051	13%	0.125	C	C	.	.	S	Bend	trans	-158.7	169.2	-175.2	58.5	176.6	5.9	0	0	110.8	Q816 V820 S822	Q812-Q816 VanDerWaalsContact CB-NE2 3.33Å; Q812-V820 HydrophobicContact CB-CG2 3.83Å; Q812-V820 HydrophobicContact CG-CG2 4.02Å; Q812-S822 PolarHBondContact NE2-O 3.05Å; Q812-S822 VanDerWaalsContact NE2-O 3.1Å
813	Q	95.4	Very high	94.5	Very high	16 Å²	16	21.6 Å²	21.6	8%	0.075	12%	0.124	C	C	.	.			trans	-63.2	148.3	167.4	-69.6	-173.9	64.6	0	0	112.2	F682 Y737 Q816	F682-Q813 PolarHBondContact O-NE2 3.12Å; Y737-Q813 HydrophobicContact CE1-CG 3.84Å; Y737-Q813 HydrophobicContact CE2-CB 4.41Å; Y737-Q813 HydrophobicContact CE2-CG 3.87Å; Y737-Q813 VanDerWaalsContact CZ-CG 3.45Å; Y737-Q813 WeakPolarHBondContact OH-CG 3.49Å; Q813-Q816 HydrophobicContact CB-CB 4.27Å
814	P	94.7	Very high	94.7	Very high	10 Å²	10	24 Å²	24	7%	0.065	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	144.7	170.3	31.1	-36.1	0	0	0	111.5	I761 T808 Q816 Y824	I761-P814 HydrophobicContact CD1-CG 3.58Å; T808-P814 HydrophobicContact CG2-CB 3.94Å; T808-P814 HydrophobicContact CG2-CG 4.12Å; T808-P814 WeakPolarHBondContact OG1-CG 3.36Å; P814-Q816 PolarHBondContact O-N 3.35Å; P814-Y824 HydrophobicContact CB-CD2 4.19Å; P814-Y824 HydrophobicContact CB-CE1 4.26Å; P814-Y824 HydrophobicContact CB-CE2 3.79Å
815	D	91.2	Very high	94.9	Very high	38 Å²	38	24.3 Å²	24.3	20%	0.203	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	23.7	173.3	-58.4	-39.5	0	0	0	116.1	T668 K669 Y824	T668-D815 WeakPolarHBondContact CA-O 3.45Å; K669-D815 WeakPolarHBondContact CB-O 3.2Å; K669-D815 PolarHBondContact N-O 3.24Å; D815-Y824 PolarHBondContact OD1-OH 2.89Å
816	Q	91.3	Very high	95	Very high	7 Å²	7	28.7 Å²	28.7	3%	0.033	15%	0.153	C	C	.	.			trans	-69	144.9	179.1	72.1	174.5	18.2	0	0	112.9	P681 Q812 Q813 P814 V818	P681-Q816 HydrophobicContact CB-CB 4.19Å; P681-Q816 HydrophobicContact CG-CB 3.8Å; P681-Q816 HydrophobicContact CG-CG 4.2Å; Q812-Q816 VanDerWaalsContact CB-NE2 3.33Å; Q813-Q816 HydrophobicContact CB-CB 4.27Å; P814-Q816 PolarHBondContact O-N 3.35Å; Q816-V818 VanDerWaalsContact CD-O 3.28Å; Q816-V818 WeakPolarHBondContact CG-O 3.47Å; Q816-V818 PolarHBondContact NE2-O 3.43Å; Q816-V818 PolarHBondContact O-N 3.4Å
817	P	86.3	Confident	95	Very high	54 Å²	54	25.7 Å²	25.7	35%	0.351	15%	0.146	S	C	.	.	S	Bend	trans	-65.8	-37.7	-172.7	23.8	-34.1	0	0	0	114	I678 P681	I678-P817 HydrophobicContact CB-CG 4.28Å; P681-P817 HydrophobicContact CG-CG 4.29Å
818	V	92.1	Very high	95	Very high	51 Å²	51	30 Å²	30	31%	0.309	17%	0.169	S	C	.	.	S	Bend	trans	-112.8	121.6	176.8	-174.4	0	0	0	0	108.3	Y684 Q816	Y684-V818 HydrophobicContact CE2-CB 4.37Å; Y684-V818 HydrophobicContact CE2-CG1 3.8Å; Q816-V818 VanDerWaalsContact CD-O 3.28Å; Q816-V818 WeakPolarHBondContact CG-O 3.47Å; Q816-V818 PolarHBondContact NE2-O 3.43Å; Q816-V818 PolarHBondContact O-N 3.4Å
819	T	93.2	Very high	94.9	Very high	57 Å²	57	30 Å²	30	35%	0.35	17%	0.169	S	C	.	.			trans	-104.6	153.3	-168.4	63.4	0	0	0	0	113.7	K669	K669-T819 HydrophobicContact CD-CG2 4.33Å
820	V	93	Very high	94.7	Very high	9 Å²	9	36.2 Å²	36.2	6%	0.055	20%	0.196	C	C	.	.			trans	-94.7	9.6	176	-53.6	0	0	0	0	113.9	Y684 G685 L686 Q812 S822	Y684-V820 HydrophobicContact CD2-CG1 3.49Å; Y684-V820 VanDerWaalsContact CD2-CG1 3.49Å; Y684-V820 HydrophobicContact CE2-CG1 3.53Å; Y684-V820 HydrophobicContact CG-CG1 4.03Å; G685-V820 WeakPolarHBondContact O-CG1 3.04Å; L686-V820 HydrophobicContact CD2-CB 4.07Å; L686-V820 HydrophobicContact CD2-CG1 4.27Å; Q812-V820 HydrophobicContact CB-CG2 3.83Å; Q812-V820 HydrophobicContact CG-CG2 4.02Å; V820-S822 WeakPolarHBondContact CG2-OG 3.35Å; V820-S822 PolarHBondContact O-N 2.86Å; V820-S822 VanDerWaalsContact O-N 3.15Å
821	G	91.2	Very high	94.5	Very high	14 Å²	14	36.3 Å²	36.3	14%	0.144	20%	0.196	C	C	.	.	S	Bend	trans	77.9	-14.6	177.8	0	0	0	0	0	116.1	S694 S696	S694-G821 WeakPolarHBondContact O-CA 3.4Å; S696-G821 PolarHBondContact N-O 3.18Å
822	S	93.4	Very high	94.1	Very high	7 Å²	7	39.3 Å²	39.3	5%	0.049	21%	0.212	C	C	.	.			trans	-76	145.6	171.8	67.4	0	0	0	0	111.5	Q812 V820	Q812-S822 PolarHBondContact NE2-O 3.05Å; Q812-S822 VanDerWaalsContact NE2-O 3.1Å; V820-S822 WeakPolarHBondContact CG2-OG 3.35Å; V820-S822 PolarHBondContact O-N 2.86Å; V820-S822 VanDerWaalsContact O-N 3.15Å
823	N	95.7	Very high	93.3	Very high	62 Å²	62	44.2 Å²	44.2	33%	0.332	24%	0.235	S	C	.	.			trans	-71.4	167.7	168	72.5	-63.4	0	0	0	111.3	K699 Y700	K699-N823 WeakPolarHBondContact CA-OD1 3.48Å; Y700-N823 WeakPolarHBondContact CD2-O 3.49Å; Y700-N823 PolarHBondContact N-OD1 3.46Å; Y700-N823 PolarHBondContact O-ND2 3.39Å
824	Y	97	Very high	91.6	Very high	62 Å²	62	47.1 Å²	47.1	24%	0.243	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	153.4	164.6	66	-95.8	0	0	0	108.8	T808 V809 P814 D815 I826	T808-Y824 HydrophobicContact CG2-CD2 4.19Å; T808-Y824 HydrophobicContact CG2-CE2 4.26Å; V809-Y824 CarbonylContact O-C 3.23Å; V809-Y824 WeakPolarHBondContact O-CA 3.46Å; P814-Y824 HydrophobicContact CB-CD2 4.19Å; P814-Y824 HydrophobicContact CB-CE1 4.26Å; P814-Y824 HydrophobicContact CB-CE2 3.79Å; D815-Y824 PolarHBondContact OD1-OH 2.89Å; Y824-I826 HydrophobicContact CE2-CB 4.42Å
825	L	98.4	Very high	89.2	Confident	30 Å²	30	56.2 Å²	56.2	16%	0.157	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	150.6	174.5	-60	173.4	0	0	0	109.2	Y700 K702 L703 T808 V809	Y700-L825 WeakPolarHBondContact O-CD2 3.38Å; K702-L825 WeakPolarHBondContact O-CD1 3.49Å; L703-L825 HydrophobicContact CB-CB 3.79Å; L703-L825 HydrophobicContact CB-CD1 3.79Å; L703-L825 HydrophobicContact CB-CG 4.4Å; L703-L825 HydrophobicContact CD2-CB 4.04Å; L703-L825 HydrophobicContact CG-CB 4.45Å; T808-L825 CarbonylContact C-O 3.55Å; T808-L825 WeakPolarHBondContact CA-O 3.42Å; T808-L825 WeakPolarHBondContact CB-O 3.4Å; V809-L825 PolarHBondContact N-O 3.3Å; V809-L825 PolarHBondContact O-N 3.43Å
826	I	97.8	Very high	86.8	Confident	91 Å²	91	60.1 Å²	60.1	47%	0.467	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	140.3	-177.8	-176.6	166	0	0	0	109.7	R806 I807 T808 Y824	R806-I826 HydrophobicContact CG-CD1 3.73Å; R806-I826 HydrophobicContact CG-CG1 3.85Å; I807-I826 WeakPolarHBondContact O-CA 3.2Å; T808-I826 HydrophobicContact CG2-CB 4.04Å; T808-I826 HydrophobicContact CG2-CD1 4.18Å; T808-I826 HydrophobicContact CG2-CG1 3.89Å; Y824-I826 HydrophobicContact CE2-CB 4.42Å
827	G	97.5	Very high	84.2	Confident	16 Å²	16	65 Å²	65	17%	0.165	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	170.2	172.1	0	0	0	0	0	111.8	R806 I807	R806-G827 WeakPolarHBondContact CA-O 3.25Å; I807-G827 PolarHBondContact N-O 3.4Å; I807-G827 PolarHBondContact O-N 3.13Å
828	I	96.6	Very high	81.9	Confident	92 Å²	92	71 Å²	71	47%	0.472	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.3	-175.7	-59.4	-66.6	0	0	0	109.2	T804 L805 R806	T804-I828 HydrophobicContact CG2-CG2 3.38Å; L805-I828 CarbonylContact O-C 2.83Å; L805-I828 VanDerWaalsContact O-CA 3.3Å; L805-I828 WeakPolarHBondContact O-CA 3.28Å; R806-I828 HydrophobicContact CB-CD1 3.91Å; R806-I828 HydrophobicContact CG-CD1 4.29Å
829	V	96.4	Very high	79.2	Confident	2 Å²	2	71.6 Å²	71.6	1%	0.012	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	138.7	172.2	178.8	0	0	0	0	109.1	L705 V710 I716 L805 I807	L705-V829 HydrophobicContact CB-CG2 3.91Å; L705-V829 HydrophobicContact CD1-CG2 4.02Å; L705-V829 HydrophobicContact CD2-CG2 4.39Å; L705-V829 HydrophobicContact CG-CG2 4.34Å; V710-V829 HydrophobicContact CG2-CG1 4.12Å; I716-V829 HydrophobicContact CD1-CB 4.42Å; I716-V829 HydrophobicContact CD1-CG1 3.84Å; I716-V829 HydrophobicContact CG1-CG1 4.46Å; L805-V829 PolarHBondContact N-O 3.49Å; L805-V829 PolarHBondContact O-N 3.49Å; I807-V829 HydrophobicContact CD1-CB 4.29Å; I807-V829 HydrophobicContact CD1-CG2 3.68Å
830	K	95.2	Very high	76.4	Confident	131 Å²	131	79.8 Å²	79.8	57%	0.57	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	134.1	171.3	-66.8	-175.7	179.8	-179.1	0	109.7	P709 V710	P709-K830 VanDerWaalsContact CA-O 3.3Å; P709-K830 WeakPolarHBondContact CA-O 3.47Å; P709-K830 HydrophobicContact CB-CB 4.32Å; P709-K830 HydrophobicContact CG-CB 4.42Å; V710-K830 PolarHBondContact N-O 3.11Å
831	I	94.5	Very high	73.6	Confident	3 Å²	3	88.8 Å²	88.8	2%	0.015	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	115.5	171.8	-59.2	-179.2	0	0	0	108.4	V710 P712 I716 W740 L788 G801 G803 L805	V710-I831 CarbonylContact O-C 3.6Å; V710-I831 VanDerWaalsContact O-CA 3.25Å; V710-I831 WeakPolarHBondContact O-CA 3.32Å; P712-I831 HydrophobicContact CB-CG2 4.15Å; P712-I831 HydrophobicContact CG-CG2 3.87Å; I716-I831 HydrophobicContact CD1-CD1 3.99Å; I716-I831 HydrophobicContact CD1-CG1 4.24Å; W740-I831 HydrophobicContact CH2-CD1 3.9Å; W740-I831 HydrophobicContact CZ3-CD1 4.42Å; L788-I831 HydrophobicContact CD1-CD1 4.16Å; L788-I831 HydrophobicContact CD2-CD1 4.07Å; L788-I831 HydrophobicContact CG-CD1 4.49Å; G801-I831 WeakPolarHBondContact O-CG2 3.44Å; G803-I831 PolarHBondContact N-O 3.46Å; G803-I831 PolarHBondContact O-N 3.01Å; L805-I831 HydrophobicContact CD1-CD1 3.37Å; L805-I831 HydrophobicContact CD1-CG1 4.24Å; L805-I831 HydrophobicContact CG-CD1 4.28Å
832	D	89.7	Confident	71	Confident	63 Å²	63	95.1 Å²	95.1	34%	0.337	47%	0.474	S	S	.	.			trans	-154.6	157.6	-172.6	-171.6	9.5	0	0	0	111.4	P709 V710 T834	P709-D832 HydrophobicContact CB-CB 4.28Å; V710-D832 PolarHBondContact O-N 3.04Å; D832-T834 VanDerWaalsContact C-N 3.3Å; D832-T834 WeakPolarHBondContact OD2-CB 3.31Å; D832-T834 WeakPolarHBondContact OD2-CG2 3.37Å; D832-T834 PolarHBondContact OD2-OG1 3.39Å
833	H	78.3	Confident	68.5	Low	114 Å²	114	100.7 Å²	100.7	53%	0.528	51%	0.51	S	S	.	.			trans	-80.7	-7.3	175.3	-72.3	-72.8	0	0	0	113.7	Q802 K835	Q802-H833 VanDerWaalsContact CD-NE2 3.34Å; Q802-H833 PolarHBondContact NE2-NE2 3.45Å; Q802-H833 PolarHBondContact OE1-CD2 3.14Å; Q802-H833 VanDerWaalsContact OE1-CD2 3.26Å; H833-K835 PolarHBondContact O-N 2.9Å
834	T	60.7	Low	66.2	Low	77 Å²	77	101.1 Å²	101.1	47%	0.472	53%	0.53	S	S	.	.			trans	-52.6	126.2	-175.5	37.7	0	0	0	0	111.6	D832 Q836	D832-T834 VanDerWaalsContact C-N 3.3Å; D832-T834 WeakPolarHBondContact OD2-CB 3.31Å; D832-T834 WeakPolarHBondContact OD2-CG2 3.37Å; D832-T834 PolarHBondContact OD2-OG1 3.39Å; T834-Q836 PolarHBondContact O-N 3.24Å; T834-Q836 VanDerWaalsContact O-N 3.16Å
835	K	43.7	Very low	63.6	Low	200 Å²	200	108.5 Å²	108.5	87%	0.87	58%	0.581	S	S	*	*			trans	-55.1	123	174.3	-77.4	-178.4	177.5	178.1	0	107.7	H833 S837	H833-K835 PolarHBondContact O-N 2.9Å; K835-S837 PolarHBondContact O-N 3.01Å
836	Q	39.8	Very low	61.8	Low	121 Å²	121	112.5 Å²	112.5	57%	0.565	60%	0.603	S	S	*	*			trans	-49.5	110	167.6	-76.8	-177.7	-10.1	0	0	107.9	T834 H838	T834-Q836 PolarHBondContact O-N 3.24Å; T834-Q836 VanDerWaalsContact O-N 3.16Å; Q836-H838 PolarHBondContact O-N 2.94Å; Q836-H838 VanDerWaalsContact O-N 3.14Å
837	S	37.5	Very low	59.9	Low	109 Å²	109	113.6 Å²	113.6	76%	0.762	61%	0.61	S	S	*	*			trans	-61.9	119.9	166.7	51.8	0	0	0	0	105.9	K835 G839	K835-S837 PolarHBondContact O-N 3.01Å; S837-G839 PolarHBondContact O-N 3.44Å
838	H	38.4	Very low	57.8	Low	180 Å²	180	119 Å²	119	83%	0.833	64%	0.635	S	S	*	*			trans	-66	79	169.2	-77.5	17.6	0	0	0	108	Q836 W840	Q836-H838 PolarHBondContact O-N 2.94Å; Q836-H838 VanDerWaalsContact O-N 3.14Å; H838-W840 VanDerWaalsContact C-N 3.31Å; H838-W840 PolarHBondContact O-N 2.85Å
839	G	35.6	Very low	55.6	Low	64 Å²	64	120.6 Å²	120.6	66%	0.66	64%	0.644	S	S	*	*			trans	-95.9	49.8	175.1	0	0	0	0	0	110.7	S837 K841	S837-G839 PolarHBondContact O-N 3.44Å; G839-K841 PolarHBondContact O-N 2.7Å
840	W	33	Very low	53	Low	229 Å²	229	128 Å²	128	87%	0.867	68%	0.684	S	S	*	*			trans	-71.6	91.4	159	-116	62.4	0	0	0	106.6	H838 M842	H838-W840 VanDerWaalsContact C-N 3.31Å; H838-W840 PolarHBondContact O-N 2.85Å; W840-M842 VanDerWaalsContact C-N 3.34Å; W840-M842 PolarHBondContact O-N 2.8Å; W840-M842 VanDerWaalsContact O-N 3.08Å
841	K	35	Very low	50.2	Low	198 Å²	198	127.8 Å²	127.8	86%	0.861	69%	0.691	S	S	*	*			trans	-69	99.6	161.4	-85.6	-172.5	175	-177.7	0	106.8	G839	G839-K841 PolarHBondContact O-N 2.7Å
842	M	36.6	Very low	47	Very low	146 Å²	146	136.7 Å²	136.7	72%	0.719	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-56.1	133.9	158.7	-70.9	-101.5	-89	0	0	107.9	W840 G844	W840-M842 VanDerWaalsContact C-N 3.34Å; W840-M842 PolarHBondContact O-N 2.8Å; W840-M842 VanDerWaalsContact O-N 3.08Å; M842-G844 PolarHBondContact O-N 3.02Å; M842-G844 VanDerWaalsContact O-N 3.16Å
843	P	41.9	Very low	43.7	Very low	124 Å²	124	142.4 Å²	142.4	81%	0.805	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-64.8	117.7	171.4	26.3	-29	0	0	0	107.8	T845	P843-T845 PolarHBondContact O-N 2.79Å
844	G	46.5	Very low	40.9	Very low	72 Å²	72	144.8 Å²	144.8	74%	0.742	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-69.2	119.4	173.2	0	0	0	0	0	109.8	M842	M842-G844 PolarHBondContact O-N 3.02Å; M842-G844 VanDerWaalsContact O-N 3.16Å
845	T	41.6	Very low	39	Very low	217 Å²	217	150.9 Å²	150.9	100%	1.331	82%	0.82	S	S	*	*			trans	13.8	0	153.9	56.3	0	0	0	0	118.6	P843	P843-T845 PolarHBondContact O-N 2.79Å

Retrieved 845 of 845 residues in 362.3 ms (Link to these results)

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