A0A3Q0KQP1_SCHMA Loading...

GATA-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KQP1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,012 aa.

						>A0A3Q0KQP1_SCHMA|A0A3Q0KQP1
MNKNPDNTSNQMEADLHLLESQHPELSEIAKSLAQIALHMKSPVIENATNNNETQSSLTTNDTLYRNFMHLQLQDPKIQNLLLEKQKQSQIQNSTSNNTIKNLMETILLNSQSMHKSPSQVDETFSGTTTSRSGSSDRQTIGYTGRSVSVNEGKPLSGSQSPCGSNISLPKYSDSSLPISRQTQSITGISQNNQEIIQLLQSIIQNDNSQNANLHNLNLLTQLLQLPIKPNGSNNVWSSIIQQLTKQSHQSYQQQQQQHNNNNNNNNNEHTPSITSNNNFISENTIPEIKTESIWTDDTNTQQNTKLPSNSTSYIQSTNRPTNTPIVKIQDNITTGNVENVNQNSKMEVGKLNPYEMEPTHETVKTNHHIWSHPDSYDNPNQVVNTNLGYSRQVTNVSRLLNVKRPWMRSHHRDRFVVRITSVTHRCSCHSSTPNRNRTTDSKSNQCQGKECKHSEPRIYVTFQTQLPSLSSPDNARKHGRHSHHIPLTGLRLGFSCPLTSQGPPMSDFETPKVAERFDSWEKAGNRPGFRVQILTALQHTVRQMLELIRTKGFGAVKLDTDYVFFPPAADLQPIYARRRPLSSSSDGSLPRVMGLERIRHEIENEPKNHSFNTKLSESLNYTEKPEQSVWSEMMSESEDNNTDNVFNTNSLSIPRNRPRTWYQSPGQNSLSTSPSIILTKNNSDYRINEITDTVENDHYHSIDKHINIDGDNDNNNNDKNIYYPMSSSTIVIPSNQSIQNTCWCSSNPTQYSLYHKSGHNSFLSTSQIAINPNIQMNYSPYPMADERCWHNKSINTPNKLLRSLGAPYSTPVSPTRFIMGESTNQNQSNDYEANNLQPSASTEMVGKLERPKNPSPEYLQSTANSEQKRDYLSKILQEISNCLHTNPQYPIVIMPTPQMLNFSEHQQATDNKNSKKAPLVFQIPHSNSVFIGLPATSGVNPRVMTASPTNAVIVLPSLTTDQQLTQQSTSQQQNCQYSPLAYTQPTILTGPKQGYLLIITPDNKYEYVPQP
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.6	Very low	41	Very low	182 Å²	182	117.5 Å²	117.5	90%	0.897	63%	0.626	S	S	*	*				0	-46.2	0	-73.2	-175.1	170.8	0	0	114.3	K3 F68	M1-K3 PolarHBondContact O-N 3.02Å; M1-F68 HydrophobicContact CE-CE2 3.85Å; M1-F68 HydrophobicContact CE-CZ 3.69Å; M1-F68 HydrophobicContact SD-CE1 4.31Å; M1-F68 HydrophobicContact SD-CE2 4.48Å; M1-F68 HydrophobicContact SD-CZ 3.85Å
2	N	32.8	Very low	41.7	Very low	177 Å²	177	116.1 Å²	116.1	95%	0.947	62%	0.615	S	S	*	*			trans	-81.4	37.9	178.3	-136.4	45.6	0	0	0	114.2
3	K	28.6	Very low	42.9	Very low	178 Å²	178	116.4 Å²	116.4	77%	0.774	61%	0.611	S	S	*	*	S	Bend	trans	-149.4	152.9	179.7	-71.9	-168.5	176	-175	0	109.2	M1	M1-K3 PolarHBondContact O-N 3.02Å
4	N	32.1	Very low	44.3	Very low	105 Å²	105	111.6 Å²	111.6	56%	0.561	60%	0.597	S	S	*	*			trans	-26.8	145	-164.7	-78.9	40.2	0	0	0	120	D6	N4-D6 HydrophobicContact CB-CB 4.48Å; N4-D6 WeakPolarHBondContact CB-OD2 3.44Å; N4-D6 PolarHBondContact ND2-OD2 3.21Å; N4-D6 PolarHBondContact O-N 3.44Å
5	P	39.8	Very low	45.2	Very low	113 Å²	113	108.5 Å²	108.5	73%	0.734	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-14.5	170.5	33.2	-36.4	0	0	0	113.4	N7	P5-N7 PolarHBondContact O-N 3.19Å
6	D	41.2	Very low	46	Very low	118 Å²	118	104.1 Å²	104.1	63%	0.631	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-2.7	-178.2	-40.2	-66.3	0	0	0	113.8	N4 T8	N4-D6 HydrophobicContact CB-CB 4.48Å; N4-D6 WeakPolarHBondContact CB-OD2 3.44Å; N4-D6 PolarHBondContact ND2-OD2 3.21Å; N4-D6 PolarHBondContact O-N 3.44Å; D6-T8 PolarHBondContact O-N 3.16Å; D6-T8 VanDerWaalsContact O-N 3.12Å
7	N	37.2	Very low	47	Very low	74 Å²	74	105.6 Å²	105.6	40%	0.396	56%	0.559	S	S	.	*			trans	-64.7	112.7	179.4	-87.4	7.2	0	0	0	110.8	P5 Q11	P5-N7 PolarHBondContact O-N 3.19Å; N7-Q11 HydrophobicContact CB-CB 4.22Å; N7-Q11 HydrophobicContact CB-CG 4.24Å
8	T	44.1	Very low	48.3	Very low	94 Å²	94	104.9 Å²	104.9	58%	0.577	56%	0.555	S	S	*	*			trans	-58	160	179.3	59.9	0	0	0	0	112.4	D6 N10 Q11 M12	D6-T8 PolarHBondContact O-N 3.16Å; D6-T8 VanDerWaalsContact O-N 3.12Å; T8-N10 PolarHBondContact O-N 3.48Å; T8-Q11 PolarHBondContact O-N 3.08Å; T8-M12 PolarHBondContact O-N 3.24Å
9	S	47.6	Very low	48.7	Very low	51 Å²	51	103.7 Å²	103.7	36%	0.357	55%	0.548	S	S	.	.	H	α-helix	trans	-44.3	-45.1	-179.4	-154.3	0	0	0	0	112.5	Q11 M12 E13 K41	S9-Q11 VanDerWaalsContact C-N 3.3Å; S9-Q11 PolarHBondContact O-N 3.19Å; S9-M12 PolarHBondContact O-N 3.48Å; S9-E13 WeakPolarHBondContact O-CB 3.47Å; S9-E13 PolarHBondContact O-N 3.26Å; S9-K41 PolarHBondContact OG-NZ 3.01Å
10	N	54	Low	49.3	Very low	117 Å²	117	101 Å²	101	63%	0.626	53%	0.532	S	S	*	.	H	α-helix	trans	-63.3	-33	-176.8	-49	23.3	0	0	0	112.5	T8 A14	T8-N10 PolarHBondContact O-N 3.48Å; N10-A14 VanDerWaalsContact O-CB 3.26Å; N10-A14 WeakPolarHBondContact O-CB 3.41Å; N10-A14 PolarHBondContact O-N 2.98Å
11	Q	53.8	Low	50.2	Low	83 Å²	83	100.1 Å²	100.1	39%	0.388	54%	0.535	S	S	.	.	H	α-helix	trans	-76.7	-36.7	177.5	-172.7	61.9	60.2	0	0	111.5	N7 T8 S9 E13 A14 D15	N7-Q11 HydrophobicContact CB-CB 4.22Å; N7-Q11 HydrophobicContact CB-CG 4.24Å; T8-Q11 PolarHBondContact O-N 3.08Å; S9-Q11 VanDerWaalsContact C-N 3.3Å; S9-Q11 PolarHBondContact O-N 3.19Å; Q11-E13 VanDerWaalsContact C-N 3.32Å; Q11-A14 PolarHBondContact O-N 2.82Å; Q11-D15 PolarHBondContact NE2-OD1 2.92Å; Q11-D15 WeakPolarHBondContact O-CB 2.95Å; Q11-D15 PolarHBondContact O-N 3.01Å
12	M	49.6	Very low	51.2	Low	101 Å²	101	97.2 Å²	97.2	50%	0.498	52%	0.519	S	S	.	.	H	α-helix	trans	-65.9	-39	173.5	-168.9	-176.4	-57.4	0	0	111.3	T8 S9 L16 A37	T8-M12 PolarHBondContact O-N 3.24Å; S9-M12 PolarHBondContact O-N 3.48Å; M12-L16 HydrophobicContact CG-CD1 4.49Å; M12-L16 WeakPolarHBondContact O-CB 3.45Å; M12-L16 WeakPolarHBondContact O-CG 3.49Å; M12-L16 PolarHBondContact O-N 2.91Å; M12-A37 HydrophobicContact SD-CB 4.44Å
13	E	57	Low	52.2	Low	120 Å²	120	91.3 Å²	91.3	56%	0.561	49%	0.486	S	S	*	.	H	α-helix	trans	-68.4	-40.5	176.3	-166.4	160.8	-148.6	0	0	111.8	S9 Q11 L16 H17	S9-E13 WeakPolarHBondContact O-CB 3.47Å; S9-E13 PolarHBondContact O-N 3.26Å; Q11-E13 VanDerWaalsContact C-N 3.32Å; E13-L16 PolarHBondContact O-N 2.9Å; E13-H17 WeakPolarHBondContact O-CB 3.41Å; E13-H17 PolarHBondContact O-N 3.37Å
14	A	63.5	Low	53.9	Low	50 Å²	50	87 Å²	87	41%	0.413	48%	0.476	S	S	.	.	H	α-helix	trans	-65.9	-42.9	171.8	0	0	0	0	0	113	N10 Q11 L16 H17 L18	N10-A14 VanDerWaalsContact O-CB 3.26Å; N10-A14 WeakPolarHBondContact O-CB 3.41Å; N10-A14 PolarHBondContact O-N 2.98Å; Q11-A14 PolarHBondContact O-N 2.82Å; A14-L16 VanDerWaalsContact C-N 3.29Å; A14-L16 PolarHBondContact O-N 2.78Å; A14-H17 PolarHBondContact O-N 3.15Å; A14-L18 WeakPolarHBondContact O-CB 3.38Å; A14-L18 PolarHBondContact O-N 3.12Å
15	D	57.1	Low	54.7	Low	65 Å²	65	88.1 Å²	88.1	35%	0.348	48%	0.478	S	S	.	.	H	α-helix	trans	-61.4	-37.6	174.5	-81.5	20.8	0	0	0	111.2	Q11 L19	Q11-D15 PolarHBondContact NE2-OD1 2.92Å; Q11-D15 WeakPolarHBondContact O-CB 2.95Å; Q11-D15 PolarHBondContact O-N 3.01Å; D15-L19 WeakPolarHBondContact O-CB 3.27Å; D15-L19 PolarHBondContact O-N 3.4Å
16	L	57.7	Low	55.3	Low	38 Å²	38	84.5 Å²	84.5	20%	0.199	45%	0.452	C	S	.	.	H	α-helix	trans	-67.9	-45	173.6	-81.8	164.6	0	0	0	112.2	M12 E13 A14 L18 L19 E20 A30 A34	M12-L16 HydrophobicContact CG-CD1 4.49Å; M12-L16 WeakPolarHBondContact O-CB 3.45Å; M12-L16 WeakPolarHBondContact O-CG 3.49Å; M12-L16 PolarHBondContact O-N 2.91Å; E13-L16 PolarHBondContact O-N 2.9Å; A14-L16 VanDerWaalsContact C-N 3.29Å; A14-L16 PolarHBondContact O-N 2.78Å; L16-L18 VanDerWaalsContact C-N 3.29Å; L16-L18 PolarHBondContact O-N 2.92Å; L16-L19 WeakPolarHBondContact O-CB 3.42Å; L16-L19 PolarHBondContact O-N 3.18Å; L16-E20 PolarHBondContact O-N 3.48Å; L16-A30 HydrophobicContact CD2-CB 4.07Å; L16-A34 HydrophobicContact CD1-CB 4.38Å
17	H	63.7	Low	56.1	Low	130 Å²	130	80 Å²	80	60%	0.602	43%	0.43	S	S	*	.	H	α-helix	trans	-62.4	-37	176.3	-122.9	-63.8	0	0	0	111.9	E13 A14 S21	E13-H17 WeakPolarHBondContact O-CB 3.41Å; E13-H17 PolarHBondContact O-N 3.37Å; A14-H17 PolarHBondContact O-N 3.15Å; H17-S21 WeakPolarHBondContact O-CB 3.48Å; H17-S21 PolarHBondContact O-N 2.89Å
18	L	70	Confident	56.9	Low	92 Å²	92	83.7 Å²	83.7	48%	0.482	45%	0.445	S	S	.	.	H	α-helix	trans	-65.1	-44.4	173.6	-175.6	63.4	0	0	0	111	A14 L16 S21 Q22	A14-L18 WeakPolarHBondContact O-CB 3.38Å; A14-L18 PolarHBondContact O-N 3.12Å; L16-L18 VanDerWaalsContact C-N 3.29Å; L16-L18 PolarHBondContact O-N 2.92Å; L18-S21 PolarHBondContact O-N 2.98Å; L18-S21 PolarHBondContact O-OG 3.17Å; L18-Q22 WeakPolarHBondContact O-CG 3.5Å; L18-Q22 PolarHBondContact O-N 3.18Å
19	L	55.7	Low	57.4	Low	82 Å²	82	81.5 Å²	81.5	43%	0.429	43%	0.429	S	S	.	.	H	α-helix	trans	-60.9	-44.5	174.3	-102.9	156.7	0	0	0	112.7	D15 L16 S21 Q22 H23 L26	D15-L19 WeakPolarHBondContact O-CB 3.27Å; D15-L19 PolarHBondContact O-N 3.4Å; L16-L19 WeakPolarHBondContact O-CB 3.42Å; L16-L19 PolarHBondContact O-N 3.18Å; L19-S21 VanDerWaalsContact C-N 3.3Å; L19-S21 PolarHBondContact O-N 3.13Å; L19-Q22 PolarHBondContact O-N 3.32Å; L19-H23 PolarHBondContact O-N 2.83Å; L19-L26 HydrophobicContact CD2-CD1 4.37Å
20	E	61.5	Low	57.7	Low	49 Å²	49	79.6 Å²	79.6	23%	0.229	42%	0.416	C	S	.	.	H	α-helix	trans	-66.2	-31.9	177.1	-168.3	169.2	-150.9	0	0	111.8	L16 H23 P24 S27 K31	L16-E20 PolarHBondContact O-N 3.48Å; E20-H23 CarbonylContact O-C 3.57Å; E20-P24 WeakPolarHBondContact O-CA 3.32Å; E20-S27 VanDerWaalsContact OE1-CB 3.23Å; E20-S27 WeakPolarHBondContact OE1-CB 3.38Å; E20-S27 PolarHBondContact OE1-OG 3.4Å; E20-K31 WeakPolarHBondContact OE1-CE 3.31Å; E20-K31 IonicContact OE1-NZ 3.13Å; E20-K31 PolarHBondContact OE1-NZ 3.09Å
21	S	68.3	Low	57.8	Low	84 Å²	84	79 Å²	79	59%	0.587	41%	0.408	S	S	*	.	H	α-helix	trans	-72.8	-34.5	173.9	79	0	0	0	0	114	H17 L18 L19	H17-S21 WeakPolarHBondContact O-CB 3.48Å; H17-S21 PolarHBondContact O-N 2.89Å; L18-S21 PolarHBondContact O-N 2.98Å; L18-S21 PolarHBondContact O-OG 3.17Å; L19-S21 VanDerWaalsContact C-N 3.3Å; L19-S21 PolarHBondContact O-N 3.13Å
22	Q	59.8	Low	57.8	Low	121 Å²	121	77.9 Å²	77.9	57%	0.565	41%	0.409	S	S	*	.	H	α-helix	trans	-83.9	-28.3	179.8	-70.8	-177.7	7.7	0	0	112.8	L18 L19	L18-Q22 WeakPolarHBondContact O-CG 3.5Å; L18-Q22 PolarHBondContact O-N 3.18Å; L19-Q22 PolarHBondContact O-N 3.32Å
23	H	54.6	Low	57.8	Low	52 Å²	52	75.3 Å²	75.3	24%	0.241	40%	0.398	C	S	.	.			trans	-139.9	77.7	-176.9	-71.4	-56.1	0	0	0	110.4	L19 E20 E25 L26	L19-H23 PolarHBondContact O-N 2.83Å; E20-H23 CarbonylContact O-C 3.57Å; H23-E25 IonicContact ND1-OE1 3.52Å; H23-E25 PolarHBondContact O-N 2.9Å; H23-E25 VanDerWaalsContact O-N 3.14Å; H23-L26 HydrophobicContact CB-CB 4.25Å; H23-L26 HydrophobicContact CB-CD1 3.66Å; H23-L26 HydrophobicContact CB-CG 3.83Å; H23-L26 WeakPolarHBondContact O-CB 3.17Å; H23-L26 PolarHBondContact O-N 3.11Å
24	P	63.2	Low	57.7	Low	89 Å²	89	71.1 Å²	71.1	58%	0.578	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-61.3	-24.4	179.9	24.7	-34.6	0	0	0	112.7	E20 L26 S27	E20-P24 WeakPolarHBondContact O-CA 3.32Å; P24-L26 PolarHBondContact O-N 3.02Å; P24-S27 WeakPolarHBondContact O-CB 3.14Å; P24-S27 PolarHBondContact O-N 3.38Å; P24-S27 VanDerWaalsContact O-N 3.09Å
25	E	48.4	Very low	57.2	Low	127 Å²	127	75.1 Å²	75.1	59%	0.593	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-69	-5.7	171.9	63	-125.5	130.7	0	0	114.8	H23	H23-E25 IonicContact ND1-OE1 3.52Å; H23-E25 PolarHBondContact O-N 2.9Å; H23-E25 VanDerWaalsContact O-N 3.14Å
26	L	53	Low	56.9	Low	38 Å²	38	74.7 Å²	74.7	20%	0.199	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-100.5	2.7	169.9	-59.3	179.8	0	0	0	113.4	L19 H23 P24 E28 I29 A30	L19-L26 HydrophobicContact CD2-CD1 4.37Å; H23-L26 HydrophobicContact CB-CB 4.25Å; H23-L26 HydrophobicContact CB-CD1 3.66Å; H23-L26 HydrophobicContact CB-CG 3.83Å; H23-L26 WeakPolarHBondContact O-CB 3.17Å; H23-L26 PolarHBondContact O-N 3.11Å; P24-L26 PolarHBondContact O-N 3.02Å; L26-E28 PolarHBondContact O-N 3.14Å; L26-I29 HydrophobicContact CD2-CD1 3.67Å; L26-I29 CarbonylContact O-C 3.56Å; L26-I29 WeakPolarHBondContact O-CA 3.33Å; L26-I29 WeakPolarHBondContact O-CB 3.46Å; L26-I29 PolarHBondContact O-N 3.14Å; L26-A30 PolarHBondContact O-N 2.9Å
27	S	58.8	Low	56.3	Low	23 Å²	23	74.8 Å²	74.8	16%	0.161	40%	0.397	C	S	.	.	H	α-helix	trans	-50.8	-48.7	-177.9	178.1	0	0	0	0	114.2	E20 P24 I29 A30 K31	E20-S27 VanDerWaalsContact OE1-CB 3.23Å; E20-S27 WeakPolarHBondContact OE1-CB 3.38Å; E20-S27 PolarHBondContact OE1-OG 3.4Å; P24-S27 WeakPolarHBondContact O-CB 3.14Å; P24-S27 PolarHBondContact O-N 3.38Å; P24-S27 VanDerWaalsContact O-N 3.09Å; S27-I29 VanDerWaalsContact C-N 3.26Å; S27-I29 PolarHBondContact O-N 3.33Å; S27-A30 PolarHBondContact O-N 3.06Å; S27-K31 WeakPolarHBondContact O-CB 3.33Å; S27-K31 WeakPolarHBondContact O-CD 3.25Å; S27-K31 WeakPolarHBondContact O-CG 3.34Å; S27-K31 PolarHBondContact O-N 2.96Å; S27-K31 WeakPolarHBondContact OG-CE 3.44Å; S27-K31 PolarHBondContact OG-NZ 2.83Å
28	E	54.1	Low	55.6	Low	151 Å²	151	74.2 Å²	74.2	71%	0.706	40%	0.398	S	S	*	.	H	α-helix	trans	-57.2	-38	175.2	-71.8	-82.6	107.6	0	0	112.6	L26 S32	L26-E28 PolarHBondContact O-N 3.14Å; E28-S32 WeakPolarHBondContact O-CB 3.48Å; E28-S32 PolarHBondContact O-N 3.28Å; E28-S32 PolarHBondContact O-OG 3.24Å
29	I	54.1	Low	54.6	Low	48 Å²	48	77.7 Å²	77.7	25%	0.246	41%	0.411	C	S	.	.	H	α-helix	trans	-78.5	-40	-176.7	-62.1	154.9	0	0	0	109.9	L26 S27 S32 L33 I78	L26-I29 HydrophobicContact CD2-CD1 3.67Å; L26-I29 CarbonylContact O-C 3.56Å; L26-I29 WeakPolarHBondContact O-CA 3.33Å; L26-I29 WeakPolarHBondContact O-CB 3.46Å; L26-I29 PolarHBondContact O-N 3.14Å; S27-I29 VanDerWaalsContact C-N 3.26Å; S27-I29 PolarHBondContact O-N 3.33Å; I29-S32 PolarHBondContact O-N 3.11Å; I29-L33 HydrophobicContact CG2-CD1 4.15Å; I29-L33 WeakPolarHBondContact O-CB 3.16Å; I29-L33 VanDerWaalsContact O-CG 3.27Å; I29-L33 WeakPolarHBondContact O-CG 3.48Å; I29-L33 PolarHBondContact O-N 3.45Å; I29-I78 HydrophobicContact CD1-CD1 3.63Å; I29-I78 HydrophobicContact CD1-CG1 3.87Å; I29-I78 HydrophobicContact CG1-CD1 4.35Å
30	A	52.8	Low	53.7	Low	11 Å²	11	77.9 Å²	77.9	9%	0.091	41%	0.411	C	S	.	.	H	α-helix	trans	-61.3	-43.5	172.5	0	0	0	0	0	111.4	L16 L26 S27 L33 A34	L16-A30 HydrophobicContact CD2-CB 4.07Å; L26-A30 PolarHBondContact O-N 2.9Å; S27-A30 PolarHBondContact O-N 3.06Å; A30-L33 PolarHBondContact O-N 3.37Å; A30-A34 WeakPolarHBondContact O-CB 3.33Å; A30-A34 PolarHBondContact O-N 2.86Å
31	K	57.8	Low	52.7	Low	106 Å²	106	81.3 Å²	81.3	46%	0.461	43%	0.425	S	S	.	.	H	α-helix	trans	-66.2	-41.8	175.7	-73.6	162.6	-175.9	161	0	112.5	E20 S27 A34 Q35	E20-K31 WeakPolarHBondContact OE1-CE 3.31Å; E20-K31 IonicContact OE1-NZ 3.13Å; E20-K31 PolarHBondContact OE1-NZ 3.09Å; S27-K31 WeakPolarHBondContact O-CB 3.33Å; S27-K31 WeakPolarHBondContact O-CD 3.25Å; S27-K31 WeakPolarHBondContact O-CG 3.34Å; S27-K31 PolarHBondContact O-N 2.96Å; S27-K31 WeakPolarHBondContact OG-CE 3.44Å; S27-K31 PolarHBondContact OG-NZ 2.83Å; K31-A34 PolarHBondContact O-N 2.66Å; K31-Q35 PolarHBondContact O-N 2.6Å
32	S	53.1	Low	50.8	Low	58 Å²	58	81.7 Å²	81.7	41%	0.406	43%	0.427	S	S	.	.	H	α-helix	trans	-61.6	-43.4	173.6	-60.2	0	0	0	0	111.7	E28 I29 Q35 I36	E28-S32 WeakPolarHBondContact O-CB 3.48Å; E28-S32 PolarHBondContact O-N 3.28Å; E28-S32 PolarHBondContact O-OG 3.24Å; I29-S32 PolarHBondContact O-N 3.11Å; S32-Q35 PolarHBondContact O-N 2.84Å; S32-I36 WeakPolarHBondContact O-CD1 3.37Å; S32-I36 VanDerWaalsContact O-CG1 3.26Å; S32-I36 WeakPolarHBondContact O-CG1 3.4Å; S32-I36 PolarHBondContact O-N 3.26Å
33	L	50.1	Low	49.5	Very low	48 Å²	48	81.3 Å²	81.3	25%	0.251	44%	0.436	S	S	.	.	H	α-helix	trans	-65.9	-39.8	175.7	-74.9	171	0	0	0	112.4	I29 A30 I36 A37 F68	I29-L33 HydrophobicContact CG2-CD1 4.15Å; I29-L33 WeakPolarHBondContact O-CB 3.16Å; I29-L33 VanDerWaalsContact O-CG 3.27Å; I29-L33 WeakPolarHBondContact O-CG 3.48Å; I29-L33 PolarHBondContact O-N 3.45Å; A30-L33 PolarHBondContact O-N 3.37Å; L33-I36 PolarHBondContact O-N 3.42Å; L33-A37 WeakPolarHBondContact O-CB 3.16Å; L33-A37 PolarHBondContact O-N 3.09Å; L33-F68 HydrophobicContact CD1-CE2 4.35Å; L33-F68 HydrophobicContact CD1-CZ 4.4Å; L33-F68 HydrophobicContact CD2-CD2 4.22Å; L33-F68 HydrophobicContact CD2-CE2 3.58Å; L33-F68 HydrophobicContact CD2-CZ 4.39Å
34	A	53.7	Low	48.3	Very low	32 Å²	32	85 Å²	85	26%	0.264	46%	0.461	S	S	.	.	H	α-helix	trans	-64.1	-44.6	174.7	0	0	0	0	0	111.7	L16 A30 K31 I36 A37 L38	L16-A34 HydrophobicContact CD1-CB 4.38Å; A30-A34 WeakPolarHBondContact O-CB 3.33Å; A30-A34 PolarHBondContact O-N 2.86Å; K31-A34 PolarHBondContact O-N 2.66Å; A34-I36 PolarHBondContact O-N 3.03Å; A34-A37 PolarHBondContact O-N 3.35Å; A34-L38 WeakPolarHBondContact O-CB 3.46Å; A34-L38 VanDerWaalsContact O-CG 3.25Å; A34-L38 WeakPolarHBondContact O-CG 3.36Å; A34-L38 PolarHBondContact O-N 2.95Å
35	Q	54.3	Low	46.8	Very low	134 Å²	134	87.4 Å²	87.4	63%	0.626	47%	0.468	S	S	*	.	H	α-helix	trans	-60.6	-42.3	174.5	-80	-175.6	-40.1	0	0	112.2	K31 S32 L38 H39	K31-Q35 PolarHBondContact O-N 2.6Å; S32-Q35 PolarHBondContact O-N 2.84Å; Q35-L38 PolarHBondContact O-N 2.82Å; Q35-H39 WeakPolarHBondContact O-CB 3.48Å; Q35-H39 PolarHBondContact O-N 3.33Å
36	I	50.7	Low	45.8	Very low	56 Å²	56	89.8 Å²	89.8	29%	0.287	48%	0.479	S	S	.	.	H	α-helix	trans	-65	-43.5	175.9	-68.2	163.7	0	0	0	110.9	S32 L33 A34 L38 H39 M40 L71	S32-I36 WeakPolarHBondContact O-CD1 3.37Å; S32-I36 VanDerWaalsContact O-CG1 3.26Å; S32-I36 WeakPolarHBondContact O-CG1 3.4Å; S32-I36 PolarHBondContact O-N 3.26Å; L33-I36 PolarHBondContact O-N 3.42Å; A34-I36 PolarHBondContact O-N 3.03Å; I36-L38 VanDerWaalsContact C-N 3.32Å; I36-L38 PolarHBondContact O-N 3.45Å; I36-H39 PolarHBondContact O-N 3.45Å; I36-M40 HydrophobicContact CG2-CG 4.39Å; I36-M40 WeakPolarHBondContact O-CB 3.21Å; I36-M40 WeakPolarHBondContact O-CG 3.18Å; I36-M40 PolarHBondContact O-N 3.03Å; I36-L71 HydrophobicContact CD1-CD1 3.61Å
37	A	45	Very low	44.6	Very low	39 Å²	39	95.7 Å²	95.7	32%	0.322	51%	0.511	S	S	.	.	H	α-helix	trans	-64.6	-34.4	177.1	0	0	0	0	0	112.9	M12 L33 A34	M12-A37 HydrophobicContact SD-CB 4.44Å; L33-A37 WeakPolarHBondContact O-CB 3.16Å; L33-A37 PolarHBondContact O-N 3.09Å; A34-A37 PolarHBondContact O-N 3.35Å
38	L	48.3	Very low	43.2	Very low	119 Å²	119	98.3 Å²	98.3	62%	0.623	53%	0.534	S	S	*	.	H	α-helix	trans	-71.6	-42.9	173.7	-72.3	165.8	0	0	0	111.9	A34 Q35 I36 M40 K41	A34-L38 WeakPolarHBondContact O-CB 3.46Å; A34-L38 VanDerWaalsContact O-CG 3.25Å; A34-L38 WeakPolarHBondContact O-CG 3.36Å; A34-L38 PolarHBondContact O-N 2.95Å; Q35-L38 PolarHBondContact O-N 2.82Å; I36-L38 VanDerWaalsContact C-N 3.32Å; I36-L38 PolarHBondContact O-N 3.45Å; L38-M40 VanDerWaalsContact C-N 3.25Å; L38-M40 PolarHBondContact O-N 3.45Å; L38-K41 VanDerWaalsContact O-CB 3.29Å; L38-K41 WeakPolarHBondContact O-CB 3.19Å; L38-K41 PolarHBondContact O-N 3.39Å; L38-K41 VanDerWaalsContact O-N 3.13Å
39	H	48.3	Very low	42.1	Very low	164 Å²	164	96.3 Å²	96.3	76%	0.759	53%	0.532	S	S	*	.	H	α-helix	trans	-65.3	-26.3	176.5	-111.2	-80.1	0	0	0	113.5	Q35 I36 K41	Q35-H39 WeakPolarHBondContact O-CB 3.48Å; Q35-H39 PolarHBondContact O-N 3.33Å; I36-H39 PolarHBondContact O-N 3.45Å; H39-K41 PolarHBondContact O-N 3.09Å
40	M	38.2	Very low	40.8	Very low	87 Å²	87	101 Å²	101	43%	0.429	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.8	-0.6	176	-66.4	-92.3	-77.9	0	0	113.3	I36 L38 L64	I36-M40 HydrophobicContact CG2-CG 4.39Å; I36-M40 WeakPolarHBondContact O-CB 3.21Å; I36-M40 WeakPolarHBondContact O-CG 3.18Å; I36-M40 PolarHBondContact O-N 3.03Å; L38-M40 VanDerWaalsContact C-N 3.25Å; L38-M40 PolarHBondContact O-N 3.45Å; M40-L64 HydrophobicContact CE-CD2 4.12Å; M40-L64 HydrophobicContact CE-CG 4.36Å
41	K	41	Very low	39.8	Very low	121 Å²	121	107.7 Å²	107.7	53%	0.526	59%	0.592	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.8	4.8	-169.9	-137.3	174.3	-178.3	-174.5	0	114.9	S9 L38 H39	S9-K41 PolarHBondContact OG-NZ 3.01Å; L38-K41 VanDerWaalsContact O-CB 3.29Å; L38-K41 WeakPolarHBondContact O-CB 3.19Å; L38-K41 PolarHBondContact O-N 3.39Å; L38-K41 VanDerWaalsContact O-N 3.13Å; H39-K41 PolarHBondContact O-N 3.09Å
42	S	28.3	Very low	38.4	Very low	91 Å²	91	110.5 Å²	110.5	64%	0.636	61%	0.612	S	S	*	*	S	Bend	trans	-156.4	142.2	173.2	-174.1	0	0	0	0	110.4
43	P	30.7	Very low	37.1	Very low	114 Å²	114	116 Å²	116	74%	0.74	63%	0.631	S	S	*	*	S	Bend	cis	-113.7	112.9	-1.5	34.7	-20.1	0	0	0	112.4
44	V	31.3	Very low	36.2	Very low	128 Å²	128	120.6 Å²	120.6	78%	0.776	66%	0.661	S	S	*	*	S	Bend	trans	-133.3	3.4	176.7	-167.3	0	0	0	0	112.3
45	I	29.8	Very low	34.9	Very low	141 Å²	141	127.5 Å²	127.5	72%	0.723	69%	0.688	S	S	*	*	S	Bend	trans	-97.5	-20.3	-165.4	-64.2	176	0	0	0	113.4
46	E	28.5	Very low	33.6	Very low	176 Å²	176	126.7 Å²	126.7	82%	0.822	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-15.7	-169.1	-64.1	-172.3	136.7	0	0	115.6	A48	E46-A48 VanDerWaalsContact C-N 3.31Å; E46-A48 PolarHBondContact O-N 3.09Å
47	N	28.6	Very low	32.6	Very low	162 Å²	162	129.1 Å²	129.1	87%	0.866	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	18.1	-178.8	-74.1	-0.2	0	0	0	114.2
48	A	28.2	Very low	31.9	Very low	79 Å²	79	135 Å²	135	65%	0.653	75%	0.745	S	S	*	*			trans	-106.3	34.4	-173.7	0	0	0	0	0	113.8	E46	E46-A48 VanDerWaalsContact C-N 3.31Å; E46-A48 PolarHBondContact O-N 3.09Å
49	T	30.5	Very low	31	Very low	109 Å²	109	132.6 Å²	132.6	67%	0.669	74%	0.735	S	S	*	*	S	Bend	trans	-128.8	139.3	168.4	53	0	0	0	0	111.5
50	N	28.7	Very low	30.5	Very low	146 Å²	146	129.2 Å²	129.2	78%	0.781	73%	0.726	S	S	*	*	S	Bend	trans	78.3	132.9	-176.4	-46.8	-54.1	0	0	0	116.5
51	N	30.4	Very low	30.2	Very low	151 Å²	151	129.9 Å²	129.9	81%	0.807	73%	0.731	S	S	*	*			trans	73.1	73.1	157.2	-54.2	-11.9	0	0	0	118.7	E53	N51-E53 PolarHBondContact O-N 2.97Å
52	N	28.6	Very low	29.9	Very low	165 Å²	165	129.5 Å²	129.5	88%	0.882	74%	0.735	S	S	*	*				17.9	83.5	129.2	-59.8	-4	0	0	0	118.3
53	E	26.9	Very low	30.4	Very low	173 Å²	173	128.4 Å²	128.4	81%	0.808	73%	0.725	S	S	*	*			trans	-153.3	156.2	140.3	-120.1	157.1	-158	0	0	110.7	N51 Q55	N51-E53 PolarHBondContact O-N 2.97Å; E53-Q55 PolarHBondContact O-N 2.96Å
54	T	29.5	Very low	30.7	Very low	145 Å²	145	126.4 Å²	126.4	89%	0.89	71%	0.707	S	S	*	*			trans	-79.7	89	-152.6	-49.2	0	0	0	0	113.4	S56	T54-S56 PolarHBondContact O-N 2.81Å
55	Q	28	Very low	31	Very low	177 Å²	177	127.3 Å²	127.3	83%	0.827	70%	0.698	S	S	*	*			trans	-56	121.8	173.4	-63.3	-179.4	-2.1	0	0	111.8	E53	E53-Q55 PolarHBondContact O-N 2.96Å
56	S	27	Very low	31.4	Very low	117 Å²	117	130.1 Å²	130.1	82%	0.818	70%	0.699	S	S	*	*			trans	-95.5	128.6	164.8	67.3	0	0	0	0	109.7	T54 L58	T54-S56 PolarHBondContact O-N 2.81Å; S56-L58 PolarHBondContact O-N 3.49Å
57	S	28.8	Very low	31.8	Very low	108 Å²	108	124.9 Å²	124.9	76%	0.755	68%	0.677	S	S	*	*			trans	-77.3	105.7	-169.9	42.3	0	0	0	0	111.9	T59	S57-T59 WeakPolarHBondContact O-CG2 3.38Å; S57-T59 PolarHBondContact O-N 3.35Å
58	L	29.5	Very low	32.2	Very low	163 Å²	163	119.3 Å²	119.3	85%	0.853	65%	0.645	S	S	*	*			trans	-63	99	168.7	-164.2	80	0	0	0	108.6	S56 T60	S56-L58 PolarHBondContact O-N 3.49Å; L58-T60 PolarHBondContact O-N 3.4Å
59	T	31.4	Very low	32.6	Very low	68 Å²	68	119.9 Å²	119.9	42%	0.417	64%	0.635	S	S	.	*			trans	-65.3	132.4	-163.4	76.4	0	0	0	0	111.7	S57 N61 D62	S57-T59 WeakPolarHBondContact O-CG2 3.38Å; S57-T59 PolarHBondContact O-N 3.35Å; T59-N61 PolarHBondContact O-N 3.27Å; T59-D62 PolarHBondContact O-N 2.98Å
60	T	36.4	Very low	33	Very low	92 Å²	92	121.8 Å²	121.8	56%	0.564	64%	0.637	S	S	*	*	H	α-helix	trans	-54.8	-21.2	178	35.5	0	0	0	0	113.4	L58 D62 L64	L58-T60 PolarHBondContact O-N 3.4Å; T60-D62 PolarHBondContact O-N 2.98Å; T60-L64 VanDerWaalsContact O-CB 3.27Å; T60-L64 WeakPolarHBondContact O-CB 3.48Å; T60-L64 VanDerWaalsContact O-CG 3.26Å; T60-L64 WeakPolarHBondContact O-CG 3.29Å; T60-L64 PolarHBondContact O-N 2.88Å
61	N	31.7	Very low	33.4	Very low	102 Å²	102	119.3 Å²	119.3	55%	0.545	62%	0.623	S	S	.	*	H	α-helix	trans	-57.3	-41.3	175.7	-70.8	-37.8	0	0	0	113.9	T59 L64 Y65	T59-N61 PolarHBondContact O-N 3.27Å; N61-L64 PolarHBondContact O-N 2.88Å; N61-Y65 WeakPolarHBondContact O-CB 3.48Å; N61-Y65 PolarHBondContact O-N 2.81Å
62	D	34.8	Very low	33.7	Very low	112 Å²	112	116.1 Å²	116.1	60%	0.599	60%	0.603	S	S	*	*	H	α-helix	trans	-73.1	-41.2	-175	-83.4	-34.2	0	0	0	112.4	T59 T60 Y65 R66	T59-D62 PolarHBondContact O-N 2.98Å; T60-D62 PolarHBondContact O-N 2.98Å; D62-Y65 PolarHBondContact O-N 3.23Å; D62-R66 PolarHBondContact O-N 2.85Å
63	T	38.9	Very low	34.4	Very low	69 Å²	69	112.8 Å²	112.8	42%	0.423	59%	0.585	S	S	.	*	H	α-helix	trans	-66	-42.5	174.2	-44.4	0	0	0	0	110.6	N67	T63-N67 WeakPolarHBondContact O-CB 2.98Å; T63-N67 VanDerWaalsContact O-CG 3.24Å; T63-N67 PolarHBondContact O-N 3.38Å; T63-N67 VanDerWaalsContact O-N 3.1Å; T63-N67 PolarHBondContact O-ND2 3.42Å
64	L	36.6	Very low	35	Very low	71 Å²	71	112.1 Å²	112.1	37%	0.372	58%	0.582	S	S	.	*	H	α-helix	trans	-61.5	-43.5	172.2	-77.1	170.2	0	0	0	111.4	M40 T60 N61 N67 F68	M40-L64 HydrophobicContact CE-CD2 4.12Å; M40-L64 HydrophobicContact CE-CG 4.36Å; T60-L64 VanDerWaalsContact O-CB 3.27Å; T60-L64 WeakPolarHBondContact O-CB 3.48Å; T60-L64 VanDerWaalsContact O-CG 3.26Å; T60-L64 WeakPolarHBondContact O-CG 3.29Å; T60-L64 PolarHBondContact O-N 2.88Å; N61-L64 PolarHBondContact O-N 2.88Å; L64-N67 CarbonylContact O-C 3.59Å; L64-N67 PolarHBondContact O-N 3.4Å; L64-F68 WeakPolarHBondContact O-CB 2.9Å; L64-F68 PolarHBondContact O-N 2.86Å
65	Y	37.3	Very low	35.7	Very low	148 Å²	148	108.1 Å²	108.1	58%	0.58	56%	0.555	S	S	*	*	H	α-helix	trans	-67	-42.6	-178.4	-172.8	-98.1	0	0	0	112.3	N61 D62 N67 F68 M69	N61-Y65 WeakPolarHBondContact O-CB 3.48Å; N61-Y65 PolarHBondContact O-N 2.81Å; D62-Y65 PolarHBondContact O-N 3.23Å; Y65-N67 VanDerWaalsContact C-N 3.33Å; Y65-N67 PolarHBondContact O-N 2.89Å; Y65-F68 PolarHBondContact O-N 3.34Å; Y65-M69 HydrophobicContact CD1-CG 4.16Å; Y65-M69 HydrophobicContact CE1-CG 3.9Å; Y65-M69 WeakPolarHBondContact O-CB 3.36Å; Y65-M69 VanDerWaalsContact O-CG 3.28Å; Y65-M69 WeakPolarHBondContact O-CG 3.15Å; Y65-M69 PolarHBondContact O-N 2.95Å
66	R	40	Very low	36.6	Very low	199 Å²	199	103.8 Å²	103.8	75%	0.751	54%	0.542	S	S	*	.	H	α-helix	trans	-56.5	-47.7	170.1	-92.3	-169.1	172.9	-165.7	1.1	111.5	D62 M69 H70	D62-R66 PolarHBondContact O-N 2.85Å; R66-M69 PolarHBondContact O-N 2.87Å; R66-H70 PolarHBondContact O-N 3.35Å
67	N	36.4	Very low	37.6	Very low	66 Å²	66	105.7 Å²	105.7	35%	0.353	54%	0.536	S	S	.	.	H	α-helix	trans	-68.3	-38.5	-179.5	-68.6	-11	0	0	0	111.6	T63 L64 Y65 H70 L71	T63-N67 WeakPolarHBondContact O-CB 2.98Å; T63-N67 VanDerWaalsContact O-CG 3.24Å; T63-N67 PolarHBondContact O-N 3.38Å; T63-N67 VanDerWaalsContact O-N 3.1Å; T63-N67 PolarHBondContact O-ND2 3.42Å; L64-N67 CarbonylContact O-C 3.59Å; L64-N67 PolarHBondContact O-N 3.4Å; Y65-N67 VanDerWaalsContact C-N 3.33Å; Y65-N67 PolarHBondContact O-N 2.89Å; N67-H70 WeakPolarHBondContact O-CB 3.34Å; N67-H70 PolarHBondContact O-N 3.27Å; N67-L71 WeakPolarHBondContact O-CB 3.04Å; N67-L71 WeakPolarHBondContact O-CD1 3.22Å; N67-L71 VanDerWaalsContact O-CG 3.27Å; N67-L71 WeakPolarHBondContact O-CG 3.02Å; N67-L71 PolarHBondContact O-N 3.24Å
68	F	35.9	Very low	38.4	Very low	45 Å²	45	101.9 Å²	101.9	20%	0.197	51%	0.506	C	S	.	.	H	α-helix	trans	-59.9	-47.4	173.2	-124.9	-114.7	0	0	0	111.3	M1 L33 L64 Y65 H70 L71 Q72	M1-F68 HydrophobicContact CE-CE2 3.85Å; M1-F68 HydrophobicContact CE-CZ 3.69Å; M1-F68 HydrophobicContact SD-CE1 4.31Å; M1-F68 HydrophobicContact SD-CE2 4.48Å; M1-F68 HydrophobicContact SD-CZ 3.85Å; L33-F68 HydrophobicContact CD1-CE2 4.35Å; L33-F68 HydrophobicContact CD1-CZ 4.4Å; L33-F68 HydrophobicContact CD2-CD2 4.22Å; L33-F68 HydrophobicContact CD2-CE2 3.58Å; L33-F68 HydrophobicContact CD2-CZ 4.39Å; L64-F68 WeakPolarHBondContact O-CB 2.9Å; L64-F68 PolarHBondContact O-N 2.86Å; Y65-F68 PolarHBondContact O-N 3.34Å; F68-H70 VanDerWaalsContact C-N 3.27Å; F68-H70 PolarHBondContact O-N 3.33Å; F68-L71 PolarHBondContact O-N 2.84Å; F68-L71 VanDerWaalsContact O-N 3.11Å; F68-Q72 HydrophobicContact CD1-CG 3.78Å; F68-Q72 HydrophobicContact CE1-CG 4.1Å; F68-Q72 VanDerWaalsContact CE1-NE2 3.28Å; F68-Q72 HydrophobicContact CG-CG 4.33Å; F68-Q72 VanDerWaalsContact O-CB 3.31Å; F68-Q72 WeakPolarHBondContact O-CB 2.94Å; F68-Q72 WeakPolarHBondContact O-CG 2.97Å; F68-Q72 PolarHBondContact O-N 3.23Å
69	M	37.3	Very low	39.3	Very low	91 Å²	91	99.2 Å²	99.2	45%	0.448	49%	0.489	S	S	.	.	H	α-helix	trans	-63.9	-32.6	177.3	-72.7	-68.1	-70.6	0	0	112.2	Y65 R66 L73	Y65-M69 HydrophobicContact CD1-CG 4.16Å; Y65-M69 HydrophobicContact CE1-CG 3.9Å; Y65-M69 WeakPolarHBondContact O-CB 3.36Å; Y65-M69 VanDerWaalsContact O-CG 3.28Å; Y65-M69 WeakPolarHBondContact O-CG 3.15Å; Y65-M69 PolarHBondContact O-N 2.95Å; R66-M69 PolarHBondContact O-N 2.87Å; M69-L73 HydrophobicContact CE-CD1 4.22Å
70	H	39.4	Very low	40.5	Very low	150 Å²	150	100.8 Å²	100.8	69%	0.694	50%	0.496	S	S	*	.	H	α-helix	trans	-70.7	-35	171.4	-110.3	-89.3	0	0	0	113.4	R66 N67 F68	R66-H70 PolarHBondContact O-N 3.35Å; N67-H70 WeakPolarHBondContact O-CB 3.34Å; N67-H70 PolarHBondContact O-N 3.27Å; F68-H70 VanDerWaalsContact C-N 3.27Å; F68-H70 PolarHBondContact O-N 3.33Å
71	L	35.9	Very low	41.1	Very low	93 Å²	93	99 Å²	99	49%	0.487	48%	0.482	S	S	.	.	H	α-helix	trans	-88.2	-34.7	-175	-73.8	161.5	0	0	0	114.1	I36 N67 F68	I36-L71 HydrophobicContact CD1-CD1 3.61Å; N67-L71 WeakPolarHBondContact O-CB 3.04Å; N67-L71 WeakPolarHBondContact O-CD1 3.22Å; N67-L71 VanDerWaalsContact O-CG 3.27Å; N67-L71 WeakPolarHBondContact O-CG 3.02Å; N67-L71 PolarHBondContact O-N 3.24Å; F68-L71 PolarHBondContact O-N 2.84Å; F68-L71 VanDerWaalsContact O-N 3.11Å
72	Q	38.2	Very low	41.9	Very low	84 Å²	84	99 Å²	99	39%	0.393	48%	0.482	S	S	.	.	S	Bend	trans	-82.9	-15.2	-167.2	-75.2	-153.4	-49.5	0	0	116	F68	F68-Q72 HydrophobicContact CD1-CG 3.78Å; F68-Q72 HydrophobicContact CE1-CG 4.1Å; F68-Q72 VanDerWaalsContact CE1-NE2 3.28Å; F68-Q72 HydrophobicContact CG-CG 4.33Å; F68-Q72 VanDerWaalsContact O-CB 3.31Å; F68-Q72 WeakPolarHBondContact O-CB 2.94Å; F68-Q72 WeakPolarHBondContact O-CG 2.97Å; F68-Q72 PolarHBondContact O-N 3.23Å
73	L	42.3	Very low	42.9	Very low	96 Å²	96	97.6 Å²	97.6	50%	0.503	47%	0.473	S	S	.	.	S	Bend	trans	-102.4	-4.1	-165.9	-77.2	169.1	0	0	0	116.1	M69 Q79	M69-L73 HydrophobicContact CE-CD1 4.22Å; L73-Q79 PolarHBondContact O-NE2 2.93Å
74	Q	40.3	Very low	43.9	Very low	159 Å²	159	99.3 Å²	99.3	74%	0.743	48%	0.477	S	S	*	.	S	Bend	trans	-100.8	-16.1	-176.3	-62.5	-167	13	0	0	115.6	P76	Q74-P76 WeakPolarHBondContact O-CD 3.45Å
75	D	43.2	Very low	44.5	Very low	60 Å²	60	101.2 Å²	101.2	32%	0.321	48%	0.482	S	S	.	.			trans	-83.4	120.6	179.4	-167.6	-41.5	0	0	0	112	K77 I78 Q79	D75-K77 VanDerWaalsContact C-N 3.26Å; D75-K77 PolarHBondContact O-N 2.86Å; D75-K77 WeakPolarHBondContact OD1-CA 3.45Å; D75-K77 VanDerWaalsContact OD1-CB 3.26Å; D75-K77 WeakPolarHBondContact OD1-CB 3.37Å; D75-K77 PolarHBondContact OD1-N 2.75Å; D75-I78 HydrophobicContact CB-CB 4.26Å; D75-I78 HydrophobicContact CB-CD1 3.81Å; D75-I78 HydrophobicContact CB-CG1 3.86Å; D75-I78 PolarHBondContact O-N 3.43Å; D75-Q79 PolarHBondContact O-N 2.89Å; D75-Q79 VanDerWaalsContact O-N 3.13Å
76	P	47.9	Very low	45	Very low	87 Å²	87	99.2 Å²	99.2	57%	0.565	48%	0.478	S	S	*	.	H	α-helix	trans	-61.1	-26.4	177.1	-23	34.8	0	0	0	114.8	Q74 N80	Q74-P76 WeakPolarHBondContact O-CD 3.45Å; P76-N80 WeakPolarHBondContact O-CB 3.35Å; P76-N80 PolarHBondContact O-N 2.83Å; P76-N80 VanDerWaalsContact O-N 3.12Å; P76-N80 PolarHBondContact O-ND2 3.49Å
77	K	47.3	Very low	45.7	Very low	157 Å²	157	95.2 Å²	95.2	68%	0.683	47%	0.466	S	S	*	.	H	α-helix	trans	-69	-47.6	174.8	-65.2	-180	176.2	-179.9	0	110.8	D75 Q79 N80 L81	D75-K77 VanDerWaalsContact C-N 3.26Å; D75-K77 PolarHBondContact O-N 2.86Å; D75-K77 WeakPolarHBondContact OD1-CA 3.45Å; D75-K77 VanDerWaalsContact OD1-CB 3.26Å; D75-K77 WeakPolarHBondContact OD1-CB 3.37Å; D75-K77 PolarHBondContact OD1-N 2.75Å; K77-Q79 VanDerWaalsContact C-N 3.33Å; K77-Q79 PolarHBondContact O-N 2.92Å; K77-N80 PolarHBondContact O-N 3.11Å; K77-N80 VanDerWaalsContact O-N 3.16Å; K77-L81 PolarHBondContact O-N 3.46Å
78	I	45.8	Very low	46.3	Very low	27 Å²	27	96.4 Å²	96.4	14%	0.138	47%	0.469	C	S	.	.	H	α-helix	trans	-61.6	-43.8	178.9	-58	177.2	0	0	0	110	I29 D75 N80 L81 L82	I29-I78 HydrophobicContact CD1-CD1 3.63Å; I29-I78 HydrophobicContact CD1-CG1 3.87Å; I29-I78 HydrophobicContact CG1-CD1 4.35Å; D75-I78 HydrophobicContact CB-CB 4.26Å; D75-I78 HydrophobicContact CB-CD1 3.81Å; D75-I78 HydrophobicContact CB-CG1 3.86Å; D75-I78 PolarHBondContact O-N 3.43Å; I78-N80 VanDerWaalsContact C-N 3.35Å; I78-N80 PolarHBondContact O-N 3.18Å; I78-L81 PolarHBondContact O-N 2.04Å; I78-L82 HydrophobicContact CG2-CD1 4.14Å; I78-L82 WeakPolarHBondContact O-CB 3.35Å; I78-L82 PolarHBondContact O-N 3.43Å
79	Q	48.5	Very low	46.6	Very low	107 Å²	107	96.5 Å²	96.5	50%	0.5	48%	0.476	S	S	.	.	H	α-helix	trans	-59.9	-41.6	174.9	-69.2	-169.6	8	0	0	112.7	L73 D75 K77 L83	L73-Q79 PolarHBondContact O-NE2 2.93Å; D75-Q79 PolarHBondContact O-N 2.89Å; D75-Q79 VanDerWaalsContact O-N 3.13Å; K77-Q79 VanDerWaalsContact C-N 3.33Å; K77-Q79 PolarHBondContact O-N 2.92Å; Q79-L83 VanDerWaalsContact O-CB 3.3Å; Q79-L83 WeakPolarHBondContact O-CB 3.42Å; Q79-L83 PolarHBondContact O-N 3.24Å
80	N	57.3	Low	46.7	Very low	102 Å²	102	96.9 Å²	96.9	55%	0.545	48%	0.477	S	S	.	.	H	α-helix	trans	-68.2	-40.4	176.6	-83.7	-69.2	0	0	0	112.5	P76 K77 I78 L83 E84	P76-N80 WeakPolarHBondContact O-CB 3.35Å; P76-N80 PolarHBondContact O-N 2.83Å; P76-N80 VanDerWaalsContact O-N 3.12Å; P76-N80 PolarHBondContact O-ND2 3.49Å; K77-N80 PolarHBondContact O-N 3.11Å; K77-N80 VanDerWaalsContact O-N 3.16Å; I78-N80 VanDerWaalsContact C-N 3.35Å; I78-N80 PolarHBondContact O-N 3.18Å; N80-L83 PolarHBondContact O-N 2.02Å; N80-E84 WeakPolarHBondContact O-CB 3.38Å; N80-E84 PolarHBondContact O-N 3.49Å
81	L	48.9	Very low	46.9	Very low	53 Å²	53	95 Å²	95	28%	0.277	47%	0.471	S	S	.	.	H	α-helix	trans	-65.6	-41.1	178.5	-158.6	76.7	0	0	0	111.5	K77 I78 E84 K85	K77-L81 PolarHBondContact O-N 3.46Å; I78-L81 PolarHBondContact O-N 2.04Å; L81-E84 PolarHBondContact O-N 3.26Å; L81-K85 WeakPolarHBondContact O-CG 3.21Å; L81-K85 PolarHBondContact O-N 3.27Å
82	L	48.3	Very low	47.1	Very low	104 Å²	104	97.4 Å²	97.4	55%	0.545	48%	0.479	S	S	.	.	H	α-helix	trans	-60.3	-46.7	170.3	-86.2	165.1	0	0	0	111.7	I78 E84 K85 Q86	I78-L82 HydrophobicContact CG2-CD1 4.14Å; I78-L82 WeakPolarHBondContact O-CB 3.35Å; I78-L82 PolarHBondContact O-N 3.43Å; L82-E84 VanDerWaalsContact C-N 3.27Å; L82-E84 PolarHBondContact O-N 3.09Å; L82-K85 PolarHBondContact O-N 3.23Å; L82-Q86 VanDerWaalsContact O-CB 3.25Å; L82-Q86 WeakPolarHBondContact O-CB 3.18Å; L82-Q86 PolarHBondContact O-N 2.87Å
83	L	55.5	Low	47	Very low	81 Å²	81	97.6 Å²	97.6	42%	0.424	48%	0.483	S	S	.	.	H	α-helix	trans	-64.3	-31.3	178.6	-170.9	69.1	0	0	0	112.3	Q79 N80 K87	Q79-L83 VanDerWaalsContact O-CB 3.3Å; Q79-L83 WeakPolarHBondContact O-CB 3.42Å; Q79-L83 PolarHBondContact O-N 3.24Å; N80-L83 PolarHBondContact O-N 2.02Å; L83-K87 VanDerWaalsContact O-CG 3.31Å; L83-K87 WeakPolarHBondContact O-CG 3.39Å; L83-K87 PolarHBondContact O-N 3.19Å; L83-K87 VanDerWaalsContact O-N 3.12Å
84	E	59	Low	46.6	Very low	106 Å²	106	96.3 Å²	96.3	50%	0.495	48%	0.482	S	S	.	.	H	α-helix	trans	-76.2	-45.8	175	-174.6	161.1	-130	0	0	112.5	N80 L81 L82 Q86 K87 Q88	N80-E84 WeakPolarHBondContact O-CB 3.38Å; N80-E84 PolarHBondContact O-N 3.49Å; L81-E84 PolarHBondContact O-N 3.26Å; L82-E84 VanDerWaalsContact C-N 3.27Å; L82-E84 PolarHBondContact O-N 3.09Å; E84-Q86 PolarHBondContact O-N 3.31Å; E84-K87 WeakPolarHBondContact O-CB 3.36Å; E84-K87 PolarHBondContact O-N 3.41Å; E84-K87 VanDerWaalsContact O-N 3.09Å; E84-Q88 WeakPolarHBondContact O-CG 3.43Å; E84-Q88 PolarHBondContact O-N 3.3Å
85	K	49.4	Very low	46.6	Very low	110 Å²	110	93 Å²	93	48%	0.478	47%	0.472	S	S	.	.	H	α-helix	trans	-59.3	-35.5	171.4	-71.7	-69.5	-177.2	-176.9	0	111.9	L81 L82 Q88 S89	L81-K85 WeakPolarHBondContact O-CG 3.21Å; L81-K85 PolarHBondContact O-N 3.27Å; L82-K85 PolarHBondContact O-N 3.23Å; K85-Q88 PolarHBondContact O-N 3.35Å; K85-S89 PolarHBondContact O-N 3.36Å; K85-S89 PolarHBondContact O-OG 3.39Å
86	Q	47.8	Very low	46.3	Very low	107 Å²	107	92.1 Å²	92.1	50%	0.5	47%	0.471	S	S	.	.	H	α-helix	trans	-69.7	-33.5	174.9	-165.4	177.5	37.8	0	0	112.8	L82 E84 S89 Q90	L82-Q86 VanDerWaalsContact O-CB 3.25Å; L82-Q86 WeakPolarHBondContact O-CB 3.18Å; L82-Q86 PolarHBondContact O-N 2.87Å; E84-Q86 PolarHBondContact O-N 3.31Å; Q86-S89 PolarHBondContact O-OG 2.98Å; Q86-Q90 WeakPolarHBondContact O-CB 3.36Å; Q86-Q90 WeakPolarHBondContact O-CG 3.49Å; Q86-Q90 PolarHBondContact O-N 2.88Å
87	K	54.2	Low	45.7	Very low	114 Å²	114	92.5 Å²	92.5	50%	0.496	47%	0.468	S	S	.	.	H	α-helix	trans	-66.8	-44.6	168.7	-71.8	164.7	-170.5	164.2	0	111.4	L83 E84 S89 Q90 I91	L83-K87 VanDerWaalsContact O-CG 3.31Å; L83-K87 WeakPolarHBondContact O-CG 3.39Å; L83-K87 PolarHBondContact O-N 3.19Å; L83-K87 VanDerWaalsContact O-N 3.12Å; E84-K87 WeakPolarHBondContact O-CB 3.36Å; E84-K87 PolarHBondContact O-N 3.41Å; E84-K87 VanDerWaalsContact O-N 3.09Å; K87-S89 VanDerWaalsContact C-N 3.35Å; K87-S89 PolarHBondContact O-N 3.05Å; K87-Q90 PolarHBondContact O-N 3.27Å; K87-I91 VanDerWaalsContact O-CG1 3.3Å; K87-I91 WeakPolarHBondContact O-CG1 3.47Å; K87-I91 PolarHBondContact O-N 3Å
88	Q	50	Low	45.2	Very low	91 Å²	91	90 Å²	90	43%	0.425	46%	0.463	S	S	.	.	H	α-helix	trans	-60.3	-43.9	178.4	-70.5	175.3	3.6	0	0	111.2	E84 K85 I91 Q92	E84-Q88 WeakPolarHBondContact O-CG 3.43Å; E84-Q88 PolarHBondContact O-N 3.3Å; K85-Q88 PolarHBondContact O-N 3.35Å; Q88-I91 PolarHBondContact O-N 3.23Å; Q88-Q92 PolarHBondContact O-N 2.89Å
89	S	41.9	Very low	44.8	Very low	48 Å²	48	93 Å²	93	34%	0.336	48%	0.482	S	S	.	.	H	α-helix	trans	-71	-31.5	176	72.1	0	0	0	0	113.1	K85 Q86 K87 N93	K85-S89 PolarHBondContact O-N 3.36Å; K85-S89 PolarHBondContact O-OG 3.39Å; Q86-S89 PolarHBondContact O-OG 2.98Å; K87-S89 VanDerWaalsContact C-N 3.35Å; K87-S89 PolarHBondContact O-N 3.05Å; S89-N93 WeakPolarHBondContact O-CB 3.39Å; S89-N93 VanDerWaalsContact O-CG 3.32Å; S89-N93 PolarHBondContact O-N 3.05Å; S89-N93 PolarHBondContact O-ND2 3.35Å
90	Q	40.4	Very low	44.3	Very low	99 Å²	99	92 Å²	92	46%	0.463	48%	0.48	S	S	.	.	H	α-helix	trans	-66.1	-35.8	169.3	-80.7	-171.9	-8.4	0	0	112.6	Q86 K87 S94	Q86-Q90 WeakPolarHBondContact O-CB 3.36Å; Q86-Q90 WeakPolarHBondContact O-CG 3.49Å; Q86-Q90 PolarHBondContact O-N 2.88Å; K87-Q90 PolarHBondContact O-N 3.27Å; Q90-S94 WeakPolarHBondContact O-CB 3.29Å; Q90-S94 PolarHBondContact O-N 2.8Å; Q90-S94 PolarHBondContact O-OG 3.22Å
91	I	43.2	Very low	43.4	Very low	111 Å²	111	92.4 Å²	92.4	57%	0.569	48%	0.476	S	S	*	.	H	α-helix	trans	-67.3	-49.9	175.8	-69.1	162.6	0	0	0	110.2	K87 Q88 N93 S94 T95	K87-I91 VanDerWaalsContact O-CG1 3.3Å; K87-I91 WeakPolarHBondContact O-CG1 3.47Å; K87-I91 PolarHBondContact O-N 3Å; Q88-I91 PolarHBondContact O-N 3.23Å; I91-N93 VanDerWaalsContact C-N 3.34Å; I91-N93 PolarHBondContact O-N 2.8Å; I91-S94 WeakPolarHBondContact O-CB 3.46Å; I91-S94 PolarHBondContact O-N 3.48Å; I91-S94 VanDerWaalsContact O-N 3.1Å; I91-T95 PolarHBondContact O-N 3.32Å; I91-T95 VanDerWaalsContact O-N 3.14Å; I91-T95 PolarHBondContact O-OG1 3.35Å
92	Q	39.2	Very low	42.9	Very low	143 Å²	143	94.5 Å²	94.5	67%	0.668	49%	0.488	S	S	*	.	H	α-helix	trans	-59.8	-42.6	176	-73.8	180	-33	0	0	112.3	Q88 S94 T95 S96	Q88-Q92 PolarHBondContact O-N 2.89Å; Q92-S94 VanDerWaalsContact C-N 3.31Å; Q92-S94 PolarHBondContact O-N 3.44Å; Q92-T95 PolarHBondContact O-N 2.8Å; Q92-S96 PolarHBondContact O-N 3.01Å
93	N	37.6	Very low	42.3	Very low	88 Å²	88	94.6 Å²	94.6	47%	0.471	49%	0.488	S	S	.	.	H	α-helix	trans	-70	-24.7	176.1	-76.1	-53	0	0	0	113.4	S89 I91 S96 N97	S89-N93 WeakPolarHBondContact O-CB 3.39Å; S89-N93 VanDerWaalsContact O-CG 3.32Å; S89-N93 PolarHBondContact O-N 3.05Å; S89-N93 PolarHBondContact O-ND2 3.35Å; I91-N93 VanDerWaalsContact C-N 3.34Å; I91-N93 PolarHBondContact O-N 2.8Å; N93-S96 WeakPolarHBondContact CA-OG 3.41Å; N93-S96 PolarHBondContact O-OG 2.85Å; N93-N97 VanDerWaalsContact O-CB 3.27Å; N93-N97 WeakPolarHBondContact O-CB 3.49Å; N93-N97 PolarHBondContact O-N 3.46Å; N93-N97 PolarHBondContact O-ND2 3.07Å
94	S	34	Very low	41.4	Very low	68 Å²	68	96.4 Å²	96.4	48%	0.476	50%	0.496	S	S	.	.	H	α-helix	trans	-69.6	-40.2	172.5	-61.3	0	0	0	0	110.8	Q90 I91 Q92 N98	Q90-S94 WeakPolarHBondContact O-CB 3.29Å; Q90-S94 PolarHBondContact O-N 2.8Å; Q90-S94 PolarHBondContact O-OG 3.22Å; I91-S94 WeakPolarHBondContact O-CB 3.46Å; I91-S94 PolarHBondContact O-N 3.48Å; I91-S94 VanDerWaalsContact O-N 3.1Å; Q92-S94 VanDerWaalsContact C-N 3.31Å; Q92-S94 PolarHBondContact O-N 3.44Å; S94-N98 VanDerWaalsContact O-CG 3.29Å; S94-N98 PolarHBondContact O-N 3.39Å; S94-N98 VanDerWaalsContact O-N 3.12Å; S94-N98 PolarHBondContact O-ND2 3.43Å
95	T	38.8	Very low	40.5	Very low	89 Å²	89	95.5 Å²	95.5	55%	0.546	49%	0.492	S	S	.	.	H	α-helix	trans	-64.6	-48.3	174.1	-49.3	0	0	0	0	111.3	I91 Q92 N98 T99	I91-T95 PolarHBondContact O-N 3.32Å; I91-T95 VanDerWaalsContact O-N 3.14Å; I91-T95 PolarHBondContact O-OG1 3.35Å; Q92-T95 PolarHBondContact O-N 2.8Å; T95-N98 PolarHBondContact O-N 3.2Å; T95-T99 PolarHBondContact O-N 2.92Å; T95-T99 VanDerWaalsContact O-N 3.07Å; T95-T99 PolarHBondContact O-OG1 3.13Å
96	S	36.4	Very low	40.2	Very low	43 Å²	43	93.7 Å²	93.7	30%	0.301	49%	0.49	S	S	.	.	H	α-helix	trans	-67.4	-37.6	-179.3	67.7	0	0	0	0	113.2	Q92 N93 N98 T99 I100	Q92-S96 PolarHBondContact O-N 3.01Å; N93-S96 WeakPolarHBondContact CA-OG 3.41Å; N93-S96 PolarHBondContact O-OG 2.85Å; S96-N98 VanDerWaalsContact C-N 3.35Å; S96-N98 PolarHBondContact O-N 3.36Å; S96-T99 PolarHBondContact O-N 2.88Å; S96-I100 WeakPolarHBondContact O-CB 3.37Å; S96-I100 VanDerWaalsContact O-CG1 3.31Å; S96-I100 WeakPolarHBondContact O-CG1 3.41Å; S96-I100 PolarHBondContact O-N 2.82Å
97	N	35.3	Very low	39.9	Very low	94 Å²	94	93.5 Å²	93.5	50%	0.503	49%	0.492	S	S	.	.	H	α-helix	trans	-68.1	-32.5	175.2	-80.7	-74.1	0	0	0	112.4	N93 K101	N93-N97 VanDerWaalsContact O-CB 3.27Å; N93-N97 WeakPolarHBondContact O-CB 3.49Å; N93-N97 PolarHBondContact O-N 3.46Å; N93-N97 PolarHBondContact O-ND2 3.07Å; N97-K101 WeakPolarHBondContact O-CB 3.36Å; N97-K101 PolarHBondContact O-N 3.04Å
98	N	36.7	Very low	39.1	Very low	105 Å²	105	93 Å²	93	56%	0.561	49%	0.494	S	S	*	.	H	α-helix	trans	-65.6	-42.2	170.6	-74.2	-13.4	0	0	0	111.2	S94 T95 S96 K101 N102	S94-N98 VanDerWaalsContact O-CG 3.29Å; S94-N98 PolarHBondContact O-N 3.39Å; S94-N98 VanDerWaalsContact O-N 3.12Å; S94-N98 PolarHBondContact O-ND2 3.43Å; T95-N98 PolarHBondContact O-N 3.2Å; S96-N98 VanDerWaalsContact C-N 3.35Å; S96-N98 PolarHBondContact O-N 3.36Å; N98-K101 PolarHBondContact O-N 3.42Å; N98-N102 VanDerWaalsContact O-CB 3.31Å; N98-N102 WeakPolarHBondContact O-CB 3.32Å; N98-N102 PolarHBondContact O-N 2.84Å; N98-N102 PolarHBondContact O-OD1 3.06Å
99	T	39.1	Very low	38.6	Very low	89 Å²	89	94.2 Å²	94.2	55%	0.546	50%	0.503	S	S	.	.	H	α-helix	trans	-63.4	-45.8	174.9	-51.3	0	0	0	0	112	T95 S96 N102 L103	T95-T99 PolarHBondContact O-N 2.92Å; T95-T99 VanDerWaalsContact O-N 3.07Å; T95-T99 PolarHBondContact O-OG1 3.13Å; S96-T99 PolarHBondContact O-N 2.88Å; T99-N102 PolarHBondContact O-N 2.92Å; T99-L103 WeakPolarHBondContact O-CB 3.23Å; T99-L103 PolarHBondContact O-N 3.32Å
100	I	37.9	Very low	38.2	Very low	87 Å²	87	96.6 Å²	96.6	45%	0.446	51%	0.511	S	S	.	.	H	α-helix	trans	-67.2	-38.9	179.4	-67.9	165	0	0	0	111.2	S96 L103 M104	S96-I100 WeakPolarHBondContact O-CB 3.37Å; S96-I100 VanDerWaalsContact O-CG1 3.31Å; S96-I100 WeakPolarHBondContact O-CG1 3.41Å; S96-I100 PolarHBondContact O-N 2.82Å; I100-L103 WeakPolarHBondContact O-CB 3.49Å; I100-L103 PolarHBondContact O-N 3.46Å; I100-M104 HydrophobicContact CG2-CE 4.21Å; I100-M104 HydrophobicContact CG2-SD 4.49Å; I100-M104 WeakPolarHBondContact O-CG 3.42Å; I100-M104 PolarHBondContact O-N 2.92Å
101	K	37.2	Very low	37.9	Very low	110 Å²	110	95.3 Å²	95.3	48%	0.478	51%	0.513	S	S	.	.	H	α-helix	trans	-67.1	-43.9	175.7	-173.4	174.5	178.2	-75.9	0	111.5	N97 N98 L103 M104 E105	N97-K101 WeakPolarHBondContact O-CB 3.36Å; N97-K101 PolarHBondContact O-N 3.04Å; N98-K101 PolarHBondContact O-N 3.42Å; K101-L103 VanDerWaalsContact C-N 3.28Å; K101-L103 PolarHBondContact O-N 3.29Å; K101-M104 PolarHBondContact O-N 3.06Å; K101-E105 WeakPolarHBondContact CE-OE1 3.39Å; K101-E105 IonicContact NZ-OE1 3.92Å; K101-E105 PolarHBondContact NZ-OE1 3.3Å; K101-E105 IonicContact NZ-OE2 2.79Å; K101-E105 PolarHBondContact NZ-OE2 2.87Å; K101-E105 WeakPolarHBondContact O-CB 3.41Å; K101-E105 PolarHBondContact O-N 3.41Å
102	N	39.3	Very low	37.5	Very low	97 Å²	97	97.7 Å²	97.7	52%	0.519	52%	0.522	S	S	.	.	H	α-helix	trans	-61.6	-37.2	172.6	-72.4	3.7	0	0	0	111.6	N98 T99 T106	N98-N102 VanDerWaalsContact O-CB 3.31Å; N98-N102 WeakPolarHBondContact O-CB 3.32Å; N98-N102 PolarHBondContact O-N 2.84Å; N98-N102 PolarHBondContact O-OD1 3.06Å; T99-N102 PolarHBondContact O-N 2.92Å; N102-T106 VanDerWaalsContact O-CB 3.25Å; N102-T106 WeakPolarHBondContact O-CB 3.39Å; N102-T106 PolarHBondContact O-N 2.95Å; N102-T106 PolarHBondContact O-OG1 3.19Å
103	L	36.5	Very low	37.1	Very low	106 Å²	106	94.9 Å²	94.9	56%	0.555	52%	0.518	S	S	*	.	H	α-helix	trans	-65.4	-45.1	174.9	-154.9	81.6	0	0	0	111.3	T99 I100 K101 T106 I107	T99-L103 WeakPolarHBondContact O-CB 3.23Å; T99-L103 PolarHBondContact O-N 3.32Å; I100-L103 WeakPolarHBondContact O-CB 3.49Å; I100-L103 PolarHBondContact O-N 3.46Å; K101-L103 VanDerWaalsContact C-N 3.28Å; K101-L103 PolarHBondContact O-N 3.29Å; L103-T106 PolarHBondContact O-N 3.2Å; L103-I107 HydrophobicContact CD2-CD1 4.33Å; L103-I107 HydrophobicContact CG-CD1 4.13Å; L103-I107 WeakPolarHBondContact O-CB 3.37Å; L103-I107 WeakPolarHBondContact O-CD1 3.41Å; L103-I107 VanDerWaalsContact O-CG1 3.22Å; L103-I107 WeakPolarHBondContact O-CG1 3.42Å; L103-I107 PolarHBondContact O-N 3.07Å
104	M	34.8	Very low	36.8	Very low	120 Å²	120	97.8 Å²	97.8	59%	0.591	53%	0.531	S	S	*	.	H	α-helix	trans	-65.8	-41.3	176.6	-74.6	-175.2	175	0	0	112.7	I100 K101 T106 I107 L108	I100-M104 HydrophobicContact CG2-CE 4.21Å; I100-M104 HydrophobicContact CG2-SD 4.49Å; I100-M104 WeakPolarHBondContact O-CG 3.42Å; I100-M104 PolarHBondContact O-N 2.92Å; K101-M104 PolarHBondContact O-N 3.06Å; M104-T106 VanDerWaalsContact C-N 3.34Å; M104-I107 PolarHBondContact O-N 2.89Å; M104-L108 WeakPolarHBondContact O-CB 3.08Å; M104-L108 PolarHBondContact O-N 2.92Å
105	E	40.8	Very low	36.8	Very low	87 Å²	87	103.2 Å²	103.2	41%	0.407	55%	0.548	S	S	.	.	H	α-helix	trans	-66.7	-36	174.7	-74.8	175.4	154.6	0	0	111.1	K101 L108 L109	K101-E105 WeakPolarHBondContact CE-OE1 3.39Å; K101-E105 IonicContact NZ-OE1 3.92Å; K101-E105 PolarHBondContact NZ-OE1 3.3Å; K101-E105 IonicContact NZ-OE2 2.79Å; K101-E105 PolarHBondContact NZ-OE2 2.87Å; K101-E105 WeakPolarHBondContact O-CB 3.41Å; K101-E105 PolarHBondContact O-N 3.41Å; E105-L108 PolarHBondContact O-N 3.49Å; E105-L109 WeakPolarHBondContact O-CB 3.06Å; E105-L109 WeakPolarHBondContact O-CD1 3.22Å; E105-L109 VanDerWaalsContact O-CG 3.27Å; E105-L109 WeakPolarHBondContact O-CG 3.19Å; E105-L109 PolarHBondContact O-N 3.41Å
106	T	44.1	Very low	36.2	Very low	72 Å²	72	108.5 Å²	108.5	44%	0.442	56%	0.564	S	S	.	*	H	α-helix	trans	-67.2	-40.5	172.4	-57.1	0	0	0	0	112.3	N102 L103 M104 L109 N110	N102-T106 VanDerWaalsContact O-CB 3.25Å; N102-T106 WeakPolarHBondContact O-CB 3.39Å; N102-T106 PolarHBondContact O-N 2.95Å; N102-T106 PolarHBondContact O-OG1 3.19Å; L103-T106 PolarHBondContact O-N 3.2Å; M104-T106 VanDerWaalsContact C-N 3.34Å; T106-L109 PolarHBondContact O-N 2.82Å; T106-N110 VanDerWaalsContact O-CB 3.32Å; T106-N110 WeakPolarHBondContact O-CB 3.48Å; T106-N110 VanDerWaalsContact O-CG 3.25Å; T106-N110 PolarHBondContact O-N 3.09Å
107	I	39.7	Very low	35.9	Very low	103 Å²	103	112.3 Å²	112.3	53%	0.528	59%	0.59	S	S	.	*	H	α-helix	trans	-67	-39.5	176.1	-71.2	163	0	0	0	110.9	L103 M104 S111	L103-I107 HydrophobicContact CD2-CD1 4.33Å; L103-I107 HydrophobicContact CG-CD1 4.13Å; L103-I107 WeakPolarHBondContact O-CB 3.37Å; L103-I107 WeakPolarHBondContact O-CD1 3.41Å; L103-I107 VanDerWaalsContact O-CG1 3.22Å; L103-I107 WeakPolarHBondContact O-CG1 3.42Å; L103-I107 PolarHBondContact O-N 3.07Å; M104-I107 PolarHBondContact O-N 2.89Å; I107-S111 WeakPolarHBondContact O-CB 3.26Å; I107-S111 PolarHBondContact O-N 3Å; I107-S111 PolarHBondContact O-OG 3.49Å
108	L	38.2	Very low	35.7	Very low	103 Å²	103	113.3 Å²	113.3	54%	0.539	60%	0.602	S	S	.	*	H	α-helix	trans	-67.9	-37.8	174.5	-84.4	159.4	0	0	0	112.9	M104 E105 S111 Q112	M104-L108 WeakPolarHBondContact O-CB 3.08Å; M104-L108 PolarHBondContact O-N 2.92Å; E105-L108 PolarHBondContact O-N 3.49Å; L108-S111 WeakPolarHBondContact CA-OG 3.3Å; L108-S111 PolarHBondContact O-OG 2.84Å; L108-Q112 WeakPolarHBondContact O-CG 3.28Å; L108-Q112 PolarHBondContact O-N 2.79Å
109	L	38.8	Very low	35.3	Very low	117 Å²	117	113.5 Å²	113.5	61%	0.613	61%	0.612	S	S	*	*	H	α-helix	trans	-69.4	-44.1	174.9	-75.7	163.5	0	0	0	111.8	E105 T106 S111 Q112	E105-L109 WeakPolarHBondContact O-CB 3.06Å; E105-L109 WeakPolarHBondContact O-CD1 3.22Å; E105-L109 VanDerWaalsContact O-CG 3.27Å; E105-L109 WeakPolarHBondContact O-CG 3.19Å; E105-L109 PolarHBondContact O-N 3.41Å; T106-L109 PolarHBondContact O-N 2.82Å; L109-S111 VanDerWaalsContact C-N 3.33Å; L109-S111 PolarHBondContact O-N 3.12Å; L109-Q112 PolarHBondContact O-N 2.79Å
110	N	35.4	Very low	34.8	Very low	97 Å²	97	117.2 Å²	117.2	52%	0.519	62%	0.623	S	S	.	*	H	α-helix	trans	-70.1	-26.4	178.9	-71.3	-9.3	0	0	0	113.2	T106 Q112 S113 M114	T106-N110 VanDerWaalsContact O-CB 3.32Å; T106-N110 WeakPolarHBondContact O-CB 3.48Å; T106-N110 VanDerWaalsContact O-CG 3.25Å; T106-N110 PolarHBondContact O-N 3.09Å; N110-Q112 VanDerWaalsContact C-N 3.33Å; N110-S113 PolarHBondContact O-OG 2.99Å; N110-M114 WeakPolarHBondContact O-CG 3.18Å
111	S	34	Very low	34.4	Very low	72 Å²	72	118 Å²	118	50%	0.503	63%	0.631	S	S	.	*	H	α-helix	trans	-80.8	-9.7	174.3	49.9	0	0	0	0	114	I107 L108 L109	I107-S111 WeakPolarHBondContact O-CB 3.26Å; I107-S111 PolarHBondContact O-N 3Å; I107-S111 PolarHBondContact O-OG 3.49Å; L108-S111 WeakPolarHBondContact CA-OG 3.3Å; L108-S111 PolarHBondContact O-OG 2.84Å; L109-S111 VanDerWaalsContact C-N 3.33Å; L109-S111 PolarHBondContact O-N 3.12Å
112	Q	33.9	Very low	34	Very low	162 Å²	162	119.3 Å²	119.3	76%	0.757	64%	0.643	S	S	*	*	H	α-helix	trans	-96.4	-7.1	172.9	-70.3	-175.2	8.1	0	0	114.2	L108 L109 N110	L108-Q112 WeakPolarHBondContact O-CG 3.28Å; L108-Q112 PolarHBondContact O-N 2.79Å; L109-Q112 PolarHBondContact O-N 2.79Å; N110-Q112 VanDerWaalsContact C-N 3.33Å
113	S	30.7	Very low	33.6	Very low	83 Å²	83	122.1 Å²	122.1	58%	0.58	65%	0.653	S	S	*	*	S	Bend	trans	-104.6	-2.5	-179.5	65.8	0	0	0	0	115.4	N110	N110-S113 PolarHBondContact O-OG 2.99Å
114	M	30.8	Very low	33.3	Very low	150 Å²	150	121.3 Å²	121.3	74%	0.739	65%	0.653	S	S	*	*	S	Bend	trans	-100.1	5.3	-167.6	-77.4	-73.2	-72	0	0	116.2	N110	N110-M114 WeakPolarHBondContact O-CG 3.18Å
115	H	33.9	Very low	32.9	Very low	182 Å²	182	124.7 Å²	124.7	84%	0.843	67%	0.665	S	S	*	*			trans	-115.3	67.6	175.4	-73.5	-60.2	0	0	0	112.7
116	K	27.9	Very low	32.4	Very low	200 Å²	200	125.2 Å²	125.2	87%	0.87	68%	0.678	S	S	*	*			trans	-140.9	100.5	161.8	-92.7	-170.7	173.6	-178.6	0	110.6
117	S	29	Very low	31.7	Very low	122 Å²	122	124.5 Å²	124.5	85%	0.853	69%	0.685	S	S	*	*			trans	-136.3	151.7	162	-74.6	0	0	0	0	109
118	P	31.3	Very low	31.1	Very low	116 Å²	116	126 Å²	126	75%	0.753	70%	0.699	S	S	*	*			trans	-126	179.7	-142.5	40.8	-27.1	0	0	0	115.6
119	S	28	Very low	30.6	Very low	109 Å²	109	126.6 Å²	126.6	76%	0.762	71%	0.707	S	S	*	*			trans	76.2	157	168.4	85.3	0	0	0	0	115.4
120	Q	29.6	Very low	30	Very low	166 Å²	166	126.5 Å²	126.5	78%	0.776	71%	0.712	S	S	*	*			cis	-146.4	164.1	11.9	-143.2	178.5	-1	0	0	110.7
121	V	29.1	Very low	29.6	Very low	103 Å²	103	127.1 Å²	127.1	62%	0.624	72%	0.724	S	S	*	*			trans	5.7	134.5	155.6	-70.5	0	0	0	0	118.2
122	D	29.2	Very low	29.2	Very low	138 Å²	138	134.7 Å²	134.7	74%	0.738	74%	0.741	S	S	*	*			cis	146.2	169.8	45.8	-94.8	-5.4	0	0	0	104.3
123	E	29.4	Very low	28.9	Very low	156 Å²	156	132.3 Å²	132.3	73%	0.729	74%	0.742	S	S	*	*			cis	-157	166.3	-9.7	-130.3	-157.6	-163.8	0	0	110.5
124	T	30	Very low	28.8	Very low	89 Å²	89	131.7 Å²	131.7	55%	0.546	75%	0.749	S	S	.	*			trans	59.4	112.8	135.1	-64.2	0	0	0	0	123.7
125	F	28.1	Very low	28.7	Very low	191 Å²	191	130.2 Å²	130.2	84%	0.838	75%	0.753	S	S	*	*			trans	73.7	162.2	137.8	-82.9	-142.3	0	0	0	120.3
126	S	28.4	Very low	28.6	Very low	98 Å²	98	126.3 Å²	126.3	69%	0.685	75%	0.747	S	S	*	*			cis	-170.8	165.3	-27.7	-100.7	0	0	0	0	110.7
127	G	29.8	Very low	28.8	Very low	58 Å²	58	122 Å²	122	60%	0.598	73%	0.733	S	S	*	*			trans	108	128.2	163.5	0	0	0	0	0	114.5
128	T	27.5	Very low	28.8	Very low	133 Å²	133	125.2 Å²	125.2	82%	0.816	73%	0.727	S	S	*	*				69	127	55.8	69.2	0	0	0	0	112.9
129	T	27.4	Very low	28.7	Very low	116 Å²	116	127 Å²	127	71%	0.712	73%	0.725	S	S	*	*			cis	-167.4	171.2	7.6	5.2	0	0	0	0	112.4
130	T	27.1	Very low	28.8	Very low	115 Å²	115	126.8 Å²	126.8	71%	0.706	72%	0.719	S	S	*	*			trans	62.2	109.2	146.7	50.2	0	0	0	0	122.3
131	S	26.1	Very low	28.7	Very low	110 Å²	110	126.3 Å²	126.3	77%	0.769	72%	0.72	S	S	*	*				82.3	142.7	111.7	-56.1	0	0	0	0	123.6
132	R	26.3	Very low	28.7	Very low	232 Å²	232	124.1 Å²	124.1	88%	0.875	72%	0.719	S	S	*	*			trans	103.7	107.2	132	-118.4	-168.8	176.8	-179.4	-2.4	120.8
133	S	27.1	Very low	28.5	Very low	111 Å²	111	128.3 Å²	128.3	78%	0.776	73%	0.726	S	S	*	*				63.6	125.8	127.1	62.2	0	0	0	0	123.3
134	G	29.4	Very low	28.5	Very low	70 Å²	70	127.9 Å²	127.9	72%	0.722	73%	0.734	S	S	*	*			trans	162.8	112.6	161	0	0	0	0	0	107.9
135	S	29	Very low	28.3	Very low	119 Å²	119	126.7 Å²	126.7	83%	0.832	74%	0.74	S	S	*	*			cis	63.7	125.2	39.5	-163.6	0	0	0	0	112.3
136	S	31	Very low	28.3	Very low	100 Å²	100	129 Å²	129	70%	0.699	74%	0.743	S	S	*	*			cis	-162.5	-164.7	-9.5	41.8	0	0	0	0	107.2
137	D	31.5	Very low	28.2	Very low	110 Å²	110	129.2 Å²	129.2	59%	0.588	75%	0.745	S	S	*	*			cis	-166.3	171.1	12.8	-157.3	-2.6	0	0	0	110.3
138	R	29.5	Very low	28.2	Very low	189 Å²	189	132.7 Å²	132.7	71%	0.713	75%	0.754	S	S	*	*			trans	67.7	163.1	154.4	-65.7	156.5	-163.1	-118.8	-3.9	119.2
139	Q	30.4	Very low	28.2	Very low	153 Å²	153	130.7 Å²	130.7	72%	0.715	75%	0.745	S	S	*	*			cis	-169	160.3	-19.9	-101.4	171.8	-48.2	0	0	107.1
140	T	28.1	Very low	28.3	Very low	106 Å²	106	130.4 Å²	130.4	65%	0.65	74%	0.743	S	S	*	*			cis	-169.1	-172.4	-15	-162.4	0	0	0	0	112.3
141	I	27.5	Very low	28.6	Very low	155 Å²	155	131.9 Å²	131.9	80%	0.795	75%	0.747	S	S	*	*			trans	-16	149	156.9	-59.2	153.8	0	0	0	116.6
142	G	30.8	Very low	28.7	Very low	58 Å²	58	134.6 Å²	134.6	60%	0.598	75%	0.748	S	S	*	*			cis	-175.3	165.1	8.8	0	0	0	0	0	112.1
143	Y	24.8	Very low	29.1	Very low	226 Å²	226	127 Å²	127	89%	0.886	74%	0.741	S	S	*	*				64.1	128.3	88.5	-93.6	-80.3	0	0	0	117.5
144	T	28.1	Very low	29.3	Very low	146 Å²	146	130.6 Å²	130.6	90%	0.896	74%	0.743	S	S	*	*			trans	68.2	153.8	176.3	74.5	0	0	0	0	116.1
145	G	26.9	Very low	29.6	Very low	65 Å²	65	132.8 Å²	132.8	67%	0.67	74%	0.744	S	S	*	*			cis	168.1	165.5	-6.7	0	0	0	0	0	112.5
146	R	28.7	Very low	29.7	Very low	238 Å²	238	135.4 Å²	135.4	90%	0.898	75%	0.748	S	S	*	*			trans	68.3	140	-172.3	-60	176.6	167.8	173.4	-5.5	114.2
147	S	24.9	Very low	29.6	Very low	104 Å²	104	136 Å²	136	73%	0.727	75%	0.752	S	S	*	*			cis	80.2	157.4	21.3	92.9	0	0	0	0	116.3
148	V	29.9	Very low	29.6	Very low	130 Å²	130	134 Å²	134	79%	0.788	76%	0.758	S	S	*	*			trans	77.6	137.4	-164.1	-173	0	0	0	0	113.7
149	S	27.9	Very low	29.5	Very low	91 Å²	91	129.8 Å²	129.8	64%	0.636	76%	0.757	S	S	*	*			cis	156.4	145	-50	63.6	0	0	0	0	110.9
150	V	28.9	Very low	29.5	Very low	110 Å²	110	131.5 Å²	131.5	67%	0.667	77%	0.765	S	S	*	*			trans	67.9	118.9	163.3	-151.6	0	0	0	0	118.8	E152	V150-E152 HydrophobicContact CG1-CG 4.26Å
151	N	33.1	Very low	29.3	Very low	147 Å²	147	131.5 Å²	131.5	79%	0.786	77%	0.77	S	S	*	*				175.5	110	122.5	-85	-15.9	0	0	0	107.3
152	E	30	Very low	29.6	Very low	167 Å²	167	128.2 Å²	128.2	78%	0.78	76%	0.758	S	S	*	*				73.8	128.2	73.2	-74.4	-144.4	177.4	0	0	114.5	V150	V150-E152 HydrophobicContact CG1-CG 4.26Å
153	G	34.2	Very low	29.3	Very low	72 Å²	72	129.7 Å²	129.7	74%	0.742	76%	0.759	S	S	*	*			trans	135.3	44.6	-176.4	0	0	0	0	0	113.8
154	K	31.4	Very low	29.4	Very low	186 Å²	186	122.1 Å²	122.1	81%	0.809	75%	0.749	S	S	*	*				83	114.4	74.9	-159.3	171.3	-161.9	163.1	0	112.6
155	P	34.6	Very low	29.4	Very low	116 Å²	116	119.2 Å²	119.2	75%	0.753	74%	0.735	S	S	*	*			trans	-99.8	154.6	-170.6	38.1	-35.6	0	0	0	114.7
156	L	32.7	Very low	29.3	Very low	175 Å²	175	122.4 Å²	122.4	92%	0.916	74%	0.737	S	S	*	*			trans	-153.5	159.7	162.2	-74.3	178	0	0	0	107.4
157	S	28	Very low	29.3	Very low	111 Å²	111	119.5 Å²	119.5	78%	0.776	74%	0.737	S	S	*	*			cis	159.5	134.8	-20.6	175.1	0	0	0	0	105.6
158	G	30.5	Very low	29.4	Very low	69 Å²	69	118.6 Å²	118.6	71%	0.711	73%	0.731	S	S	*	*			trans	87	158.4	172.7	0	0	0	0	0	116.3
159	S	28.9	Very low	29.4	Very low	101 Å²	101	119 Å²	119	71%	0.706	73%	0.727	S	S	*	*			cis	-176.3	144.6	-16.9	38.1	0	0	0	0	110.4
160	Q	29.5	Very low	29.4	Very low	189 Å²	189	120.2 Å²	120.2	88%	0.883	73%	0.734	S	S	*	*			trans	68.6	114.6	151.7	-67.6	165.1	-12.1	0	0	120.8
161	S	24.5	Very low	29.2	Very low	106 Å²	106	122.4 Å²	122.4	74%	0.741	73%	0.734	S	S	*	*			trans	-49	170.2	147.2	-151	0	0	0	0	113.2
162	P	33.6	Very low	28.9	Very low	85 Å²	85	126.9 Å²	126.9	55%	0.552	74%	0.742	S	S	*	*			cis	-142.6	-172.9	10.6	42.6	-22.3	0	0	0	117.2	P734	P162-P734 HydrophobicContact CB-CG 4.45Å
163	C	25.1	Very low	28.7	Very low	90 Å²	90	122.6 Å²	122.6	61%	0.608	73%	0.73	S	S	*	*			trans	61.1	131.5	150.7	-67.1	0	0	0	0	123.2	I733	C163-I733 PolarHBondContact SG-O 2.95Å
164	G	26.1	Very low	28.3	Very low	67 Å²	67	126.3 Å²	126.3	69%	0.691	73%	0.733	S	S	*	*			trans	137.3	104.7	132.1	0	0	0	0	0	120.7
165	S	27.7	Very low	28.1	Very low	84 Å²	84	122.4 Å²	122.4	59%	0.587	73%	0.729	S	S	*	*			trans	63.7	106.1	134.6	-53.9	0	0	0	0	123.7	I731	S165-I731 WeakPolarHBondContact OG-CD1 3.41Å
166	N	25.3	Very low	27.6	Very low	133 Å²	133	121.8 Å²	121.8	71%	0.711	73%	0.728	S	S	*	*				48.4	116	124.9	-55.2	-11.6	0	0	0	122.7
167	I	29.7	Very low	27.2	Very low	177 Å²	177	121.4 Å²	121.4	91%	0.908	73%	0.726	S	S	*	*			trans	-129.3	152.5	133.6	-63.1	-176	0	0	0	107.3
168	S	26.9	Very low	27	Very low	85 Å²	85	121.1 Å²	121.1	59%	0.594	72%	0.721	S	S	*	*			trans	-151.3	169.3	-159.3	-50.5	0	0	0	0	115.5
169	L	28	Very low	26.7	Very low	137 Å²	137	126.3 Å²	126.3	72%	0.717	73%	0.731	S	S	*	*			trans	75.4	163.8	162.1	-62.4	162.2	0	0	0	116.9	K171	L169-K171 HydrophobicContact CD2-CB 4.45Å; L169-K171 HydrophobicContact CD2-CD 3.91Å; L169-K171 HydrophobicContact CD2-CG 3.71Å
170	P	28.7	Very low	26.4	Very low	118 Å²	118	125.7 Å²	125.7	77%	0.766	73%	0.727	S	S	*	*			cis	-106.9	141.5	-5	14.2	8.6	0	0	0	113.3
171	K	24.6	Very low	26.2	Very low	156 Å²	156	128.5 Å²	128.5	68%	0.678	73%	0.729	S	S	*	*				60.3	107.7	78.5	-86.5	-172.7	178.5	-172.1	0	115.8	L169	L169-K171 HydrophobicContact CD2-CB 4.45Å; L169-K171 HydrophobicContact CD2-CD 3.91Å; L169-K171 HydrophobicContact CD2-CG 3.71Å
172	Y	27.7	Very low	26.3	Very low	241 Å²	241	131.4 Å²	131.4	95%	0.945	73%	0.731	S	S	*	*				-130.4	127.2	126.9	-107.5	-89.2	0	0	0	108.5
173	S	25.9	Very low	25.9	Very low	77 Å²	77	134.7 Å²	134.7	54%	0.538	75%	0.75	S	S	.	*			trans	-98.9	176.6	174.9	-14.6	0	0	0	0	109.1
174	D	25.4	Very low	26	Very low	149 Å²	149	138.1 Å²	138.1	80%	0.797	76%	0.757	S	S	*	*			cis	-137.8	-179.7	-10.8	-85	-56.6	0	0	0	104.5
175	S	27.8	Very low	26.1	Very low	105 Å²	105	138.7 Å²	138.7	73%	0.734	75%	0.75	S	S	*	*			cis	-160.5	131.8	26	43.1	0	0	0	0	107.3
176	S	23.1	Very low	26.2	Very low	103 Å²	103	140.5 Å²	140.5	72%	0.72	75%	0.752	S	S	*	*				71.1	78.9	63.3	82.4	0	0	0	0	115.9
177	L	24.8	Very low	26.7	Very low	167 Å²	167	137.6 Å²	137.6	87%	0.874	74%	0.739	S	S	*	*			trans	-144.7	144.1	146.8	-94.3	177	0	0	0	109.5
178	P	22.5	Very low	26.6	Very low	104 Å²	104	132 Å²	132	68%	0.675	73%	0.725	S	S	*	*			trans	-86.3	125.6	-173.7	32.4	-32.6	0	0	0	112.4	S180	P178-S180 VanDerWaalsContact C-N 3.26Å; P178-S180 PolarHBondContact O-N 3.14Å
179	I	25.1	Very low	26.9	Very low	178 Å²	178	131.5 Å²	131.5	91%	0.913	72%	0.715	S	S	*	*			trans	-74	85.2	168.4	-56.2	-179.4	0	0	0	108.8
180	S	23.3	Very low	27.2	Very low	89 Å²	89	129.4 Å²	129.4	62%	0.622	71%	0.712	S	S	*	*			trans	-66.5	156	172.1	-74.2	0	0	0	0	111.8	P178 Q182	P178-S180 VanDerWaalsContact C-N 3.26Å; P178-S180 PolarHBondContact O-N 3.14Å; S180-Q182 PolarHBondContact O-N 2.83Å
181	R	24.6	Very low	27.6	Very low	247 Å²	247	132.5 Å²	132.5	93%	0.932	72%	0.716	S	S	*	*	S	Bend	trans	-66.4	96.6	-177	-63	172.3	176.1	175.3	-2.3	111.8
182	Q	25.4	Very low	28.5	Very low	167 Å²	167	127.8 Å²	127.8	78%	0.78	70%	0.698	S	S	*	*			trans	-143.7	23.6	175.8	-138.8	169.1	4.2	0	0	117.1	S180 Q184	S180-Q182 PolarHBondContact O-N 2.83Å; Q182-Q184 PolarHBondContact O-N 2.93Å
183	T	26.6	Very low	29.3	Very low	155 Å²	155	118.5 Å²	118.5	95%	0.951	67%	0.665	S	S	*	*			trans	-79.5	57.1	162.4	35.5	0	0	0	0	112
184	Q	26.3	Very low	30.4	Very low	162 Å²	162	121.1 Å²	121.1	76%	0.757	67%	0.669	S	S	*	*			trans	-96.2	122	164.2	-67.7	-175.5	0.7	0	0	108.7	Q182	Q182-Q184 PolarHBondContact O-N 2.93Å
185	S	28.1	Very low	31.5	Very low	78 Å²	78	117.9 Å²	117.9	55%	0.545	65%	0.649	S	S	.	*			trans	23.1	101	160.2	52.9	0	0	0	0	117.5	T187	S185-T187 PolarHBondContact O-N 2.66Å
186	I	31.1	Very low	32.6	Very low	123 Å²	123	114 Å²	114	63%	0.631	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	55.4	173	-47	180	0	0	0	110.8	I189	I186-I189 HydrophobicContact CG2-CD1 3.76Å; I186-I189 HydrophobicContact CG2-CG1 4.49Å
187	T	34.9	Very low	33.8	Very low	71 Å²	71	111.4 Å²	111.4	44%	0.436	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-143.6	4	178.6	46.7	0	0	0	0	112.1	S185 E510	S185-T187 PolarHBondContact O-N 2.66Å; T187-E510 WeakPolarHBondContact CB-OE2 3.46Å; T187-E510 WeakPolarHBondContact CG2-OE2 3.34Å; T187-E510 VanDerWaalsContact OG1-CD 3.23Å; T187-E510 PolarHBondContact OG1-OE1 3.16Å; T187-E510 PolarHBondContact OG1-OE2 3.26Å
188	G	28.8	Very low	35.3	Very low	60 Å²	60	109.4 Å²	109.4	62%	0.619	58%	0.583	S	S	*	*			trans	-97.4	5.3	169	0	0	0	0	0	115.2	S190	G188-S190 PolarHBondContact O-N 2.86Å
189	I	32.6	Very low	36.7	Very low	75 Å²	75	107.2 Å²	107.2	39%	0.385	57%	0.565	S	S	.	*			trans	-68.4	103.6	-178.2	-60.4	-178.5	0	0	0	110	I186 Q191	I186-I189 HydrophobicContact CG2-CD1 3.76Å; I186-I189 HydrophobicContact CG2-CG1 4.49Å; I189-Q191 PolarHBondContact O-N 2.88Å; I189-Q191 VanDerWaalsContact O-N 3.16Å
190	S	33.1	Very low	37.8	Very low	93 Å²	93	99.3 Å²	99.3	65%	0.65	53%	0.525	S	S	*	.			trans	-85.3	83.9	-175.7	54.2	0	0	0	0	112.4	G188 N192	G188-S190 PolarHBondContact O-N 2.86Å; S190-N192 VanDerWaalsContact C-N 3.31Å; S190-N192 PolarHBondContact O-N 3.33Å
191	Q	38.2	Very low	39.2	Very low	183 Å²	183	100.1 Å²	100.1	86%	0.855	52%	0.519	S	S	*	.	S	Bend	trans	51.9	32.9	157.1	-60.2	-173.4	2.7	0	0	117.3	I189	I189-Q191 PolarHBondContact O-N 2.88Å; I189-Q191 VanDerWaalsContact O-N 3.16Å
192	N	43.8	Very low	40.6	Very low	57 Å²	57	90.5 Å²	90.5	31%	0.305	49%	0.49	S	S	.	.			trans	-110.1	111.1	171.6	-170.3	0.6	0	0	0	111.8	S190 Q194 E195	S190-N192 VanDerWaalsContact C-N 3.31Å; S190-N192 PolarHBondContact O-N 3.33Å; N192-Q194 PolarHBondContact O-N 3.09Å; N192-Q194 WeakPolarHBondContact OD1-CB 3.28Å; N192-Q194 PolarHBondContact OD1-N 3.19Å; N192-E195 HydrophobicContact CB-CG 4.18Å; N192-E195 PolarHBondContact ND2-OE1 3.44Å; N192-E195 PolarHBondContact O-N 2.98Å
193	N	43.9	Very low	41.8	Very low	45 Å²	45	83.4 Å²	83.4	24%	0.241	46%	0.457	C	S	.	.	H	α-helix	trans	-61.5	-26.1	177.4	-72.7	-12.2	0	0	0	112.5	I196 I197	N193-I196 PolarHBondContact O-N 2.92Å; N193-I197 WeakPolarHBondContact O-CD1 3.47Å; N193-I197 VanDerWaalsContact O-CG1 3.28Å; N193-I197 WeakPolarHBondContact O-CG1 3.4Å; N193-I197 PolarHBondContact O-N 2.8Å; N193-I197 VanDerWaalsContact O-N 3.12Å
194	Q	48.8	Very low	42.8	Very low	132 Å²	132	78.9 Å²	78.9	62%	0.617	43%	0.426	S	S	*	.	H	α-helix	trans	-68	-36.6	178.3	-66	-177.5	-25.1	0	0	112.7	N192 I197 Q198	N192-Q194 PolarHBondContact O-N 3.09Å; N192-Q194 WeakPolarHBondContact OD1-CB 3.28Å; N192-Q194 PolarHBondContact OD1-N 3.19Å; Q194-I197 PolarHBondContact O-N 3.2Å; Q194-Q198 WeakPolarHBondContact O-CG 3.27Å; Q194-Q198 PolarHBondContact O-N 2.99Å
195	E	49.5	Very low	43.9	Very low	82 Å²	82	78.1 Å²	78.1	38%	0.383	42%	0.423	S	S	.	.	H	α-helix	trans	-66.1	-39.3	178.1	-72.5	166.1	-147.1	0	0	111.3	N192 I197 Q198 L199	N192-E195 HydrophobicContact CB-CG 4.18Å; N192-E195 PolarHBondContact ND2-OE1 3.44Å; N192-E195 PolarHBondContact O-N 2.98Å; E195-I197 VanDerWaalsContact C-N 3.35Å; E195-Q198 PolarHBondContact O-N 3.11Å; E195-L199 WeakPolarHBondContact O-CB 3.48Å; E195-L199 PolarHBondContact O-N 2.86Å
196	I	49.2	Very low	44.8	Very low	24 Å²	24	79.5 Å²	79.5	12%	0.123	42%	0.424	C	S	.	.	H	α-helix	trans	-66.7	-39	175.8	-51	178.2	0	0	0	110.5	N193 L199 L200 W237	N193-I196 PolarHBondContact O-N 2.92Å; I196-L199 PolarHBondContact O-N 2.88Å; I196-L200 HydrophobicContact CG2-CD1 4.19Å; I196-L200 WeakPolarHBondContact O-CB 3.47Å; I196-L200 VanDerWaalsContact O-CG 3.31Å; I196-L200 WeakPolarHBondContact O-CG 3.47Å; I196-L200 PolarHBondContact O-N 3.14Å; I196-W237 HydrophobicContact CG2-CH2 3.89Å
197	I	50.3	Low	45.4	Very low	47 Å²	47	77 Å²	77	24%	0.241	41%	0.412	C	S	.	.	H	α-helix	trans	-65.6	-44.7	175.5	-70.1	164.8	0	0	0	111.2	N193 Q194 E195 L200 Q201	N193-I197 WeakPolarHBondContact O-CD1 3.47Å; N193-I197 VanDerWaalsContact O-CG1 3.28Å; N193-I197 WeakPolarHBondContact O-CG1 3.4Å; N193-I197 PolarHBondContact O-N 2.8Å; N193-I197 VanDerWaalsContact O-N 3.12Å; Q194-I197 PolarHBondContact O-N 3.2Å; E195-I197 VanDerWaalsContact C-N 3.35Å; I197-L200 PolarHBondContact O-N 3.04Å; I197-Q201 WeakPolarHBondContact O-CB 3.36Å; I197-Q201 WeakPolarHBondContact O-CG 3.41Å; I197-Q201 PolarHBondContact O-N 2.94Å
198	Q	55.1	Low	45.5	Very low	126 Å²	126	81.2 Å²	81.2	59%	0.589	43%	0.432	S	S	*	.	H	α-helix	trans	-63.8	-40.3	175.6	-74	178.6	0.2	0	0	111.8	Q194 E195 Q201 S202	Q194-Q198 WeakPolarHBondContact O-CG 3.27Å; Q194-Q198 PolarHBondContact O-N 2.99Å; E195-Q198 PolarHBondContact O-N 3.11Å; Q198-Q201 PolarHBondContact O-N 3.09Å; Q198-S202 WeakPolarHBondContact O-CB 3.31Å; Q198-S202 PolarHBondContact O-N 2.89Å
199	L	52.4	Low	45.7	Very low	57 Å²	57	81.7 Å²	81.7	30%	0.298	43%	0.425	S	S	.	.	H	α-helix	trans	-62	-47.2	175.3	-170.2	71.9	0	0	0	110.9	E195 I196 Q201 S202 I203 L223	E195-L199 WeakPolarHBondContact O-CB 3.48Å; E195-L199 PolarHBondContact O-N 2.86Å; I196-L199 PolarHBondContact O-N 2.88Å; L199-Q201 PolarHBondContact O-N 2.85Å; L199-S202 PolarHBondContact O-N 2.81Å; L199-S202 VanDerWaalsContact O-N 3.17Å; L199-S202 PolarHBondContact O-OG 2.77Å; L199-I203 HydrophobicContact CG-CD1 4.39Å; L199-I203 WeakPolarHBondContact O-CG1 3.4Å; L199-I203 PolarHBondContact O-N 2.66Å; L199-L223 HydrophobicContact CD2-CD1 4.34Å; L199-L223 HydrophobicContact CD2-CD2 4.11Å
200	L	48	Very low	45.9	Very low	12 Å²	12	86.8 Å²	86.8	6%	0.063	45%	0.448	C	S	.	.	H	α-helix	trans	-59.8	-44.2	175.4	-75.3	165.2	0	0	0	112	I196 I197 S202 I203 I204 L220 L223 W237	I196-L200 HydrophobicContact CG2-CD1 4.19Å; I196-L200 WeakPolarHBondContact O-CB 3.47Å; I196-L200 VanDerWaalsContact O-CG 3.31Å; I196-L200 WeakPolarHBondContact O-CG 3.47Å; I196-L200 PolarHBondContact O-N 3.14Å; I197-L200 PolarHBondContact O-N 3.04Å; L200-S202 VanDerWaalsContact C-N 3.33Å; L200-S202 PolarHBondContact O-N 3Å; L200-I203 PolarHBondContact O-N 3.09Å; L200-I204 WeakPolarHBondContact O-CD1 3.38Å; L200-I204 VanDerWaalsContact O-CG1 3.26Å; L200-I204 WeakPolarHBondContact O-CG1 3.32Å; L200-I204 PolarHBondContact O-N 2.94Å; L200-L220 HydrophobicContact CD2-CD1 3.95Å; L200-L223 HydrophobicContact CD2-CD1 3.94Å; L200-L223 HydrophobicContact CG-CD1 4.48Å; L200-W237 HydrophobicContact CD1-CH2 3.79Å; L200-W237 HydrophobicContact CD1-CZ3 3.66Å
201	Q	53.5	Low	46	Very low	106 Å²	106	90.2 Å²	90.2	50%	0.495	46%	0.459	S	S	.	.	H	α-helix	trans	-61.2	-39.4	174.5	-74.2	175.1	-10	0	0	112.2	I197 Q198 L199 I203 I204 Q205	I197-Q201 WeakPolarHBondContact O-CB 3.36Å; I197-Q201 WeakPolarHBondContact O-CG 3.41Å; I197-Q201 PolarHBondContact O-N 2.94Å; Q198-Q201 PolarHBondContact O-N 3.09Å; L199-Q201 PolarHBondContact O-N 2.85Å; Q201-I203 VanDerWaalsContact C-N 3.32Å; Q201-I203 PolarHBondContact O-N 2.73Å; Q201-I204 PolarHBondContact O-N 2.87Å; Q201-Q205 WeakPolarHBondContact O-CG 3.47Å; Q201-Q205 PolarHBondContact O-N 2.86Å
202	S	53.2	Low	45.8	Very low	46 Å²	46	82.5 Å²	82.5	32%	0.322	43%	0.426	S	S	.	.	H	α-helix	trans	-67	-31	177.1	78.8	0	0	0	0	113.1	Q198 L199 L200 N206	Q198-S202 WeakPolarHBondContact O-CB 3.31Å; Q198-S202 PolarHBondContact O-N 2.89Å; L199-S202 PolarHBondContact O-N 2.81Å; L199-S202 VanDerWaalsContact O-N 3.17Å; L199-S202 PolarHBondContact O-OG 2.77Å; L200-S202 VanDerWaalsContact C-N 3.33Å; L200-S202 PolarHBondContact O-N 3Å; S202-N206 PolarHBondContact O-N 3.21Å; S202-N206 PolarHBondContact O-ND2 2.7Å
203	I	50.9	Low	45.9	Very low	18 Å²	18	83.2 Å²	83.2	9%	0.092	43%	0.43	C	S	.	.	H	α-helix	trans	-70.8	-50.8	173.7	-63.8	159.7	0	0	0	109.3	L199 L200 Q201 Q205 N206 D207 N216 L219 L223	L199-I203 HydrophobicContact CG-CD1 4.39Å; L199-I203 WeakPolarHBondContact O-CG1 3.4Å; L199-I203 PolarHBondContact O-N 2.66Å; L200-I203 PolarHBondContact O-N 3.09Å; Q201-I203 VanDerWaalsContact C-N 3.32Å; Q201-I203 PolarHBondContact O-N 2.73Å; I203-Q205 PolarHBondContact O-N 3.13Å; I203-N206 PolarHBondContact O-N 3.04Å; I203-D207 PolarHBondContact O-N 3.03Å; I203-N216 HydrophobicContact CG2-CB 4.29Å; I203-L219 HydrophobicContact CD1-CD2 3.7Å; I203-L219 HydrophobicContact CG1-CD2 4.44Å; I203-L223 HydrophobicContact CD1-CD1 4.02Å
204	I	46.5	Very low	45.6	Very low	59 Å²	59	87.9 Å²	87.9	30%	0.303	45%	0.454	S	S	.	.	H	α-helix	trans	-55.2	-35.9	178.2	-67.7	162.5	0	0	0	112	L200 Q201 L244	L200-I204 WeakPolarHBondContact O-CD1 3.38Å; L200-I204 VanDerWaalsContact O-CG1 3.26Å; L200-I204 WeakPolarHBondContact O-CG1 3.32Å; L200-I204 PolarHBondContact O-N 2.94Å; Q201-I204 PolarHBondContact O-N 2.87Å; I204-L244 HydrophobicContact CD1-CD2 3.96Å; I204-L244 HydrophobicContact CG1-CD2 3.84Å
205	Q	51	Low	45.3	Very low	147 Å²	147	87.9 Å²	87.9	69%	0.687	45%	0.454	S	S	*	.	H	α-helix	trans	-75.8	-22.3	178	-74	177.2	-3	0	0	114.3	Q201 I203	Q201-Q205 WeakPolarHBondContact O-CG 3.47Å; Q201-Q205 PolarHBondContact O-N 2.86Å; I203-Q205 PolarHBondContact O-N 3.13Å
206	N	47	Very low	45.1	Very low	107 Å²	107	85.9 Å²	85.9	57%	0.572	45%	0.446	S	S	*	.	H	α-helix	trans	-102	-11.2	-175	-78.3	-69.1	0	0	0	114.7	S202 I203 N208 S209	S202-N206 PolarHBondContact O-N 3.21Å; S202-N206 PolarHBondContact O-ND2 2.7Å; I203-N206 PolarHBondContact O-N 3.04Å; N206-N208 PolarHBondContact O-N 3.43Å; N206-N208 VanDerWaalsContact O-N 3.07Å; N206-S209 PolarHBondContact O-N 2.95Å; N206-S209 PolarHBondContact O-OG 3.01Å
207	D	42.5	Very low	44.9	Very low	70 Å²	70	89.2 Å²	89.2	37%	0.374	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-2.5	-178.9	-90	-37.1	0	0	0	115	I203 S209 N216	I203-D207 PolarHBondContact O-N 3.03Å; D207-S209 PolarHBondContact O-N 2.66Å; D207-S209 VanDerWaalsContact O-N 3.16Å; D207-N216 PolarHBondContact OD1-ND2 2.83Å
208	N	36.8	Very low	44.7	Very low	160 Å²	160	91.2 Å²	91.2	86%	0.856	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	5.8	171.9	-75.2	-38.4	0	0	0	114.3	N206	N206-N208 PolarHBondContact O-N 3.43Å; N206-N208 VanDerWaalsContact O-N 3.07Å
209	S	34	Very low	44.4	Very low	69 Å²	69	87 Å²	87	48%	0.483	46%	0.456	S	S	.	.	S	Bend	trans	-104.4	127.3	179.4	62.4	0	0	0	0	112.2	N206 D207 N211 A212	N206-S209 PolarHBondContact O-N 2.95Å; N206-S209 PolarHBondContact O-OG 3.01Å; D207-S209 PolarHBondContact O-N 2.66Å; D207-S209 VanDerWaalsContact O-N 3.16Å; S209-N211 PolarHBondContact O-N 2.89Å; S209-A212 PolarHBondContact O-N 2.88Å
210	Q	36.6	Very low	44.2	Very low	183 Å²	183	86.3 Å²	86.3	86%	0.855	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-3	-165	-69.8	-173.9	-22.2	0	0	116.9
211	N	34.1	Very low	44.2	Very low	165 Å²	165	88.8 Å²	88.8	88%	0.882	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.6	1.1	-175.9	-76.7	-51.2	0	0	0	115.2	S209	S209-N211 PolarHBondContact O-N 2.89Å
212	A	35.6	Very low	44	Very low	20 Å²	20	89 Å²	89	17%	0.165	47%	0.469	C	S	.	.			trans	-79.1	-19.8	-170.7	0	0	0	0	0	115.8	S209 L214 H215 N216	S209-A212 PolarHBondContact O-N 2.88Å; A212-L214 PolarHBondContact O-N 3.36Å; A212-H215 PolarHBondContact O-N 3.25Å; A212-N216 PolarHBondContact O-N 3.3Å
213	N	44.4	Very low	43.7	Very low	72 Å²	72	87.8 Å²	87.8	39%	0.385	46%	0.459	S	S	.	.	H	α-helix	trans	-55.8	-33	-155.7	-94.8	-62	0	0	0	117.3	L217 Q255	N213-L217 WeakPolarHBondContact O-CB 3.36Å; N213-Q255 PolarHBondContact ND2-NE2 2.93Å
214	L	39.1	Very low	43.6	Very low	143 Å²	143	92.1 Å²	92.1	75%	0.749	48%	0.481	S	S	*	.	H	α-helix	trans	-88.3	-26.9	-176	-137.1	81.2	0	0	0	114.1	A212 N218	A212-L214 PolarHBondContact O-N 3.36Å; L214-N218 PolarHBondContact O-ND2 2.88Å; L214-N218 VanDerWaalsContact O-ND2 3.09Å
215	H	42.6	Very low	43.5	Very low	133 Å²	133	96.2 Å²	96.2	62%	0.616	50%	0.499	S	S	*	.	H	α-helix	trans	-84.9	-39.5	-178	-161.1	-35.7	0	0	0	111	A212 N218 L219	A212-H215 PolarHBondContact O-N 3.25Å; H215-N218 PolarHBondContact O-N 2.96Å; H215-L219 PolarHBondContact O-N 3.42Å
216	N	43.8	Very low	43.1	Very low	39 Å²	39	93.3 Å²	93.3	21%	0.209	49%	0.488	C	S	.	.	H	α-helix	trans	-69.2	-36.3	177.4	-72.3	-0.4	0	0	0	111.5	I203 D207 A212 N218 L219 L220	I203-N216 HydrophobicContact CG2-CB 4.29Å; D207-N216 PolarHBondContact OD1-ND2 2.83Å; A212-N216 PolarHBondContact O-N 3.3Å; N216-N218 VanDerWaalsContact C-N 3.34Å; N216-N218 PolarHBondContact O-N 2.85Å; N216-L219 PolarHBondContact O-N 2.9Å; N216-L220 WeakPolarHBondContact O-CB 3.44Å; N216-L220 PolarHBondContact O-N 3.5Å
217	L	46.2	Very low	42.3	Very low	94 Å²	94	94.1 Å²	94.1	49%	0.492	50%	0.499	S	S	.	.	H	α-helix	trans	-59.4	-43	171.5	-133	82.5	0	0	0	112.3	N213 T221	N213-L217 WeakPolarHBondContact O-CB 3.36Å; L217-T221 VanDerWaalsContact O-CB 3.31Å; L217-T221 WeakPolarHBondContact O-CB 3.36Å; L217-T221 PolarHBondContact O-N 3.35Å; L217-T221 PolarHBondContact O-OG1 2.88Å
218	N	46.6	Very low	42.1	Very low	90 Å²	90	93.7 Å²	93.7	48%	0.481	50%	0.496	S	S	.	.	H	α-helix	trans	-66.8	-37.2	176.1	-95	-68.8	0	0	0	112.4	L214 H215 N216 Q222	L214-N218 PolarHBondContact O-ND2 2.88Å; L214-N218 VanDerWaalsContact O-ND2 3.09Å; H215-N218 PolarHBondContact O-N 2.96Å; N216-N218 VanDerWaalsContact C-N 3.34Å; N216-N218 PolarHBondContact O-N 2.85Å; N218-Q222 WeakPolarHBondContact O-CG 3.45Å; N218-Q222 PolarHBondContact O-N 2.78Å; N218-Q222 VanDerWaalsContact O-N 3.09Å; N218-Q222 PolarHBondContact O-NE2 2.83Å
219	L	47.5	Very low	41.9	Very low	38 Å²	38	93.3 Å²	93.3	20%	0.199	49%	0.487	C	S	.	.	H	α-helix	trans	-67.3	-45.6	176.6	-140.2	93.1	0	0	0	110.8	I203 H215 N216 T221 Q222 L223	I203-L219 HydrophobicContact CD1-CD2 3.7Å; I203-L219 HydrophobicContact CG1-CD2 4.44Å; H215-L219 PolarHBondContact O-N 3.42Å; N216-L219 PolarHBondContact O-N 2.9Å; L219-T221 VanDerWaalsContact C-N 3.33Å; L219-T221 PolarHBondContact O-N 3.02Å; L219-Q222 PolarHBondContact O-N 3.4Å; L219-Q222 VanDerWaalsContact O-N 3.17Å; L219-L223 WeakPolarHBondContact O-CG 3.35Å; L219-L223 PolarHBondContact O-N 2.79Å
220	L	48.5	Very low	42	Very low	42 Å²	42	94.6 Å²	94.6	22%	0.22	49%	0.494	C	S	.	.	H	α-helix	trans	-60.2	-43.1	176.2	-162.1	77.4	0	0	0	111.3	L200 N216 Q222 L223 L224 L244	L200-L220 HydrophobicContact CD2-CD1 3.95Å; N216-L220 WeakPolarHBondContact O-CB 3.44Å; N216-L220 PolarHBondContact O-N 3.5Å; L220-Q222 VanDerWaalsContact C-N 3.31Å; L220-Q222 PolarHBondContact O-N 2.93Å; L220-L223 PolarHBondContact O-N 2.89Å; L220-L224 HydrophobicContact CG-CD1 4.22Å; L220-L224 WeakPolarHBondContact O-CB 3.48Å; L220-L224 VanDerWaalsContact O-CG 3.29Å; L220-L224 WeakPolarHBondContact O-CG 3.5Å; L220-L224 PolarHBondContact O-N 3.44Å; L220-L244 HydrophobicContact CD1-CD1 4.11Å; L220-L244 HydrophobicContact CD1-CD2 4.3Å
221	T	48.6	Very low	41.8	Very low	64 Å²	64	91.9 Å²	91.9	39%	0.393	49%	0.485	S	S	.	.	H	α-helix	trans	-62.4	-35.9	176.4	-58.7	0	0	0	0	112.1	L217 L219 Q225	L217-T221 VanDerWaalsContact O-CB 3.31Å; L217-T221 WeakPolarHBondContact O-CB 3.36Å; L217-T221 PolarHBondContact O-N 3.35Å; L217-T221 PolarHBondContact O-OG1 2.88Å; L219-T221 VanDerWaalsContact C-N 3.33Å; L219-T221 PolarHBondContact O-N 3.02Å; T221-Q225 VanDerWaalsContact O-CD 3.3Å; T221-Q225 VanDerWaalsContact O-CG 3.22Å; T221-Q225 WeakPolarHBondContact O-CG 3.21Å; T221-Q225 PolarHBondContact O-N 3.49Å; T221-Q225 PolarHBondContact O-NE2 2.89Å
222	Q	49.2	Very low	41.9	Very low	109 Å²	109	87.5 Å²	87.5	51%	0.509	48%	0.479	S	S	.	.	H	α-helix	trans	-74.1	-40.3	174.5	-76.1	165.8	74.4	0	0	112.3	N218 L219 L220 L224 Q225	N218-Q222 WeakPolarHBondContact O-CG 3.45Å; N218-Q222 PolarHBondContact O-N 2.78Å; N218-Q222 VanDerWaalsContact O-N 3.09Å; N218-Q222 PolarHBondContact O-NE2 2.83Å; L219-Q222 PolarHBondContact O-N 3.4Å; L219-Q222 VanDerWaalsContact O-N 3.17Å; L220-Q222 VanDerWaalsContact C-N 3.31Å; L220-Q222 PolarHBondContact O-N 2.93Å; Q222-L224 VanDerWaalsContact C-N 3.33Å; Q222-L224 PolarHBondContact O-N 2.92Å; Q222-Q225 PolarHBondContact O-N 2.99Å; Q222-Q225 VanDerWaalsContact O-N 3.08Å
223	L	46.2	Very low	42	Very low	22 Å²	22	88.4 Å²	88.4	12%	0.115	48%	0.484	C	S	.	.	H	α-helix	trans	-62.9	-39.3	175.8	-70.6	169.5	0	0	0	111.8	L199 L200 I203 L219 L220 Q225 L226	L199-L223 HydrophobicContact CD2-CD1 4.34Å; L199-L223 HydrophobicContact CD2-CD2 4.11Å; L200-L223 HydrophobicContact CD2-CD1 3.94Å; L200-L223 HydrophobicContact CG-CD1 4.48Å; I203-L223 HydrophobicContact CD1-CD1 4.02Å; L219-L223 WeakPolarHBondContact O-CG 3.35Å; L219-L223 PolarHBondContact O-N 2.79Å; L220-L223 PolarHBondContact O-N 2.89Å; L223-Q225 PolarHBondContact O-N 3.14Å; L223-L226 HydrophobicContact CD2-CD1 3.98Å; L223-L226 PolarHBondContact O-N 3.49Å
224	L	49.2	Very low	41.7	Very low	108 Å²	108	89.8 Å²	89.8	57%	0.565	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-10.8	174.1	-72.3	166.5	0	0	0	114	L220 Q222 I241	L220-L224 HydrophobicContact CG-CD1 4.22Å; L220-L224 WeakPolarHBondContact O-CB 3.48Å; L220-L224 VanDerWaalsContact O-CG 3.29Å; L220-L224 WeakPolarHBondContact O-CG 3.5Å; L220-L224 PolarHBondContact O-N 3.44Å; Q222-L224 VanDerWaalsContact C-N 3.33Å; Q222-L224 PolarHBondContact O-N 2.92Å; L224-I241 HydrophobicContact CD2-CD1 4.17Å; L224-I241 HydrophobicContact CD2-CG1 4.37Å
225	Q	45.1	Very low	41.8	Very low	145 Å²	145	88.8 Å²	88.8	68%	0.678	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-2.1	176.7	-71.7	169.2	16.7	0	0	113.2	T221 Q222 L223	T221-Q225 VanDerWaalsContact O-CD 3.3Å; T221-Q225 VanDerWaalsContact O-CG 3.22Å; T221-Q225 WeakPolarHBondContact O-CG 3.21Å; T221-Q225 PolarHBondContact O-N 3.49Å; T221-Q225 PolarHBondContact O-NE2 2.89Å; Q222-Q225 PolarHBondContact O-N 2.99Å; Q222-Q225 VanDerWaalsContact O-N 3.08Å; L223-Q225 PolarHBondContact O-N 3.14Å
226	L	40.9	Very low	41.9	Very low	86 Å²	86	85.7 Å²	85.7	45%	0.45	48%	0.477	S	S	.	.	S	Bend	trans	-74.8	137.1	175	-66.5	174.5	0	0	0	111	L223 I228	L223-L226 HydrophobicContact CD2-CD1 3.98Å; L223-L226 PolarHBondContact O-N 3.49Å; L226-I228 VanDerWaalsContact C-N 3.28Å; L226-I228 PolarHBondContact O-N 3.38Å
227	P	31.9	Very low	41.9	Very low	125 Å²	125	85.5 Å²	85.5	81%	0.812	47%	0.473	S	S	*	.			trans	-75.9	78.8	176.3	31.6	-35	0	0	0	110.9	K229	P227-K229 PolarHBondContact O-N 2.8Å
228	I	36.7	Very low	41.9	Very low	60 Å²	60	84.4 Å²	84.4	31%	0.308	47%	0.474	S	S	.	.			trans	-64.8	120.3	174.9	-59.5	169.7	0	0	0	108.7	L226 P230 W237	L226-I228 VanDerWaalsContact C-N 3.28Å; L226-I228 PolarHBondContact O-N 3.38Å; I228-P230 WeakPolarHBondContact O-CD 3.46Å; I228-W237 HydrophobicContact CD1-CD2 4.43Å; I228-W237 HydrophobicContact CD1-CE3 4.33Å; I228-W237 HydrophobicContact CD1-CH2 3.85Å; I228-W237 HydrophobicContact CD1-CZ2 3.94Å; I228-W237 HydrophobicContact CD1-CZ3 4.04Å; I228-W237 HydrophobicContact CG2-CZ2 4.48Å
229	K	34.1	Very low	41.9	Very low	152 Å²	152	83.3 Å²	83.3	66%	0.661	47%	0.473	S	S	*	.			trans	-73.4	123.9	169.2	-75.5	-174.1	174.1	-175.5	0	109.5	P227 N231	P227-K229 PolarHBondContact O-N 2.8Å; K229-N231 VanDerWaalsContact C-N 3.35Å; K229-N231 PolarHBondContact O-N 2.99Å
230	P	34.8	Very low	42	Very low	97 Å²	97	83 Å²	83	63%	0.63	47%	0.471	S	S	*	.			trans	-76.6	82.8	-179.5	31.1	-34.8	0	0	0	111.3	I228 G232	I228-P230 WeakPolarHBondContact O-CD 3.46Å; P230-G232 PolarHBondContact O-N 3.42Å
231	N	33.1	Very low	42	Very low	126 Å²	126	84.5 Å²	84.5	67%	0.674	48%	0.478	S	S	*	.			trans	-73.1	71.1	168	-78.8	15.3	0	0	0	110.4	K229 S233	K229-N231 VanDerWaalsContact C-N 3.35Å; K229-N231 PolarHBondContact O-N 2.99Å; N231-S233 PolarHBondContact O-N 3.07Å
232	G	35.8	Very low	42	Very low	72 Å²	72	87.8 Å²	87.8	74%	0.742	49%	0.489	S	S	*	.	S	Bend	trans	69.4	-22	166.9	0	0	0	0	0	118.2	P230 N234	P230-G232 PolarHBondContact O-N 3.42Å; G232-N234 VanDerWaalsContact C-N 3.32Å; G232-N234 PolarHBondContact O-N 3.23Å; G232-N234 VanDerWaalsContact O-N 3.16Å
233	S	38.3	Very low	42.2	Very low	39 Å²	39	88.1 Å²	88.1	27%	0.273	49%	0.491	S	S	.	.			trans	-90.1	40.8	-170.3	59.7	0	0	0	0	115.1	N231 N235 V236 W237	N231-S233 PolarHBondContact O-N 3.07Å; S233-N235 PolarHBondContact O-N 2.99Å; S233-N235 VanDerWaalsContact O-N 3.09Å; S233-N235 PolarHBondContact O-OD1 3.01Å; S233-V236 PolarHBondContact O-N 3.26Å; S233-W237 PolarHBondContact O-N 3.13Å
234	N	36.9	Very low	42.2	Very low	101 Å²	101	88.5 Å²	88.5	54%	0.54	49%	0.493	S	S	.	.	H	α-helix	trans	-56.1	-30.8	-176.1	-67.2	-6	0	0	0	112.9	G232 S238	G232-N234 VanDerWaalsContact C-N 3.32Å; G232-N234 PolarHBondContact O-N 3.23Å; G232-N234 VanDerWaalsContact O-N 3.16Å; N234-S238 PolarHBondContact O-N 3.21Å; N234-S238 PolarHBondContact O-OG 3.22Å
235	N	42	Very low	42	Very low	122 Å²	122	87.5 Å²	87.5	65%	0.652	49%	0.492	S	S	*	.	H	α-helix	trans	-64.7	-39.8	175	52.2	-3.6	0	0	0	114.1	S233 S239	S233-N235 PolarHBondContact O-N 2.99Å; S233-N235 VanDerWaalsContact O-N 3.09Å; S233-N235 PolarHBondContact O-OD1 3.01Å; N235-S239 WeakPolarHBondContact O-CB 3.48Å; N235-S239 PolarHBondContact O-N 3.03Å
236	V	43.7	Very low	42.5	Very low	68 Å²	68	87.8 Å²	87.8	41%	0.412	49%	0.49	S	S	.	.	H	α-helix	trans	-71	-45.9	-177.2	-178.9	0	0	0	0	111	S233 S239 I240	S233-V236 PolarHBondContact O-N 3.26Å; V236-S239 PolarHBondContact O-N 3.16Å; V236-I240 HydrophobicContact CG1-CD1 3.85Å; V236-I240 HydrophobicContact CG1-CG1 4.49Å; V236-I240 WeakPolarHBondContact O-CG1 3.29Å; V236-I240 PolarHBondContact O-N 3.12Å
237	W	45.2	Very low	43	Very low	36 Å²	36	87.9 Å²	87.9	14%	0.136	49%	0.489	C	S	.	.	H	α-helix	trans	-64.6	-42.5	179.7	-82.4	108.5	0	0	0	112.8	I196 L200 I228 S233 S239 I240 I241	I196-W237 HydrophobicContact CG2-CH2 3.89Å; L200-W237 HydrophobicContact CD1-CH2 3.79Å; L200-W237 HydrophobicContact CD1-CZ3 3.66Å; I228-W237 HydrophobicContact CD1-CD2 4.43Å; I228-W237 HydrophobicContact CD1-CE3 4.33Å; I228-W237 HydrophobicContact CD1-CH2 3.85Å; I228-W237 HydrophobicContact CD1-CZ2 3.94Å; I228-W237 HydrophobicContact CD1-CZ3 4.04Å; I228-W237 HydrophobicContact CG2-CZ2 4.48Å; S233-W237 PolarHBondContact O-N 3.13Å; W237-S239 VanDerWaalsContact C-N 3.31Å; W237-S239 PolarHBondContact O-N 2.85Å; W237-I240 PolarHBondContact O-N 2.92Å; W237-I241 WeakPolarHBondContact O-CG1 3.26Å; W237-I241 PolarHBondContact O-N 3.46Å
238	S	45	Very low	43.6	Very low	71 Å²	71	85.1 Å²	85.1	50%	0.497	47%	0.473	S	S	.	.	H	α-helix	trans	-60	-40.6	174.2	-63	0	0	0	0	112.2	N234 Q242	N234-S238 PolarHBondContact O-N 3.21Å; N234-S238 PolarHBondContact O-OG 3.22Å; S238-Q242 WeakPolarHBondContact O-CB 3.37Å; S238-Q242 WeakPolarHBondContact O-CG 3.48Å; S238-Q242 PolarHBondContact O-N 3.43Å
239	S	47.9	Very low	44.1	Very low	66 Å²	66	87.4 Å²	87.4	46%	0.462	48%	0.482	S	S	.	.	H	α-helix	trans	-64.8	-47.8	176.9	-170.3	0	0	0	0	112.1	N235 V236 W237 I241 Q242 Q243	N235-S239 WeakPolarHBondContact O-CB 3.48Å; N235-S239 PolarHBondContact O-N 3.03Å; V236-S239 PolarHBondContact O-N 3.16Å; W237-S239 VanDerWaalsContact C-N 3.31Å; W237-S239 PolarHBondContact O-N 2.85Å; S239-I241 PolarHBondContact O-N 3.43Å; S239-Q242 PolarHBondContact O-N 3.39Å; S239-Q243 WeakPolarHBondContact O-CB 3.44Å; S239-Q243 PolarHBondContact O-N 3.33Å
240	I	49.2	Very low	45.2	Very low	32 Å²	32	86 Å²	86	16%	0.164	48%	0.478	C	S	.	.	H	α-helix	trans	-58.6	-45.6	177.5	-70.2	169.6	0	0	0	111.1	V236 W237 Q243 L244	V236-I240 HydrophobicContact CG1-CD1 3.85Å; V236-I240 HydrophobicContact CG1-CG1 4.49Å; V236-I240 WeakPolarHBondContact O-CG1 3.29Å; V236-I240 PolarHBondContact O-N 3.12Å; W237-I240 PolarHBondContact O-N 2.92Å; I240-Q243 PolarHBondContact O-N 3.31Å; I240-L244 HydrophobicContact CG2-CD1 3.75Å; I240-L244 HydrophobicContact CG2-CG 4.48Å; I240-L244 WeakPolarHBondContact O-CB 3.3Å; I240-L244 WeakPolarHBondContact O-CD1 3.4Å; I240-L244 WeakPolarHBondContact O-CG 3.45Å; I240-L244 PolarHBondContact O-N 2.85Å
241	I	47.6	Very low	45.7	Very low	73 Å²	73	83.8 Å²	83.8	37%	0.374	46%	0.464	S	S	.	.	H	α-helix	trans	-66.4	-41.3	179.5	-67.9	171.1	0	0	0	111.4	L224 W237 S239 Q243 T245	L224-I241 HydrophobicContact CD2-CD1 4.17Å; L224-I241 HydrophobicContact CD2-CG1 4.37Å; W237-I241 WeakPolarHBondContact O-CG1 3.26Å; W237-I241 PolarHBondContact O-N 3.46Å; S239-I241 PolarHBondContact O-N 3.43Å; I241-Q243 VanDerWaalsContact C-N 3.35Å; I241-Q243 PolarHBondContact O-N 2.86Å; I241-T245 WeakPolarHBondContact O-CB 3.42Å; I241-T245 PolarHBondContact O-N 2.81Å; I241-T245 PolarHBondContact O-OG1 2.96Å
242	Q	48.6	Very low	46.1	Very low	133 Å²	133	84.5 Å²	84.5	62%	0.621	46%	0.458	S	S	*	.	H	α-helix	trans	-62.3	-40.6	173.2	-77.8	-172.6	0.4	0	0	112.4	S238 S239 T245 K246	S238-Q242 WeakPolarHBondContact O-CB 3.37Å; S238-Q242 WeakPolarHBondContact O-CG 3.48Å; S238-Q242 PolarHBondContact O-N 3.43Å; S239-Q242 PolarHBondContact O-N 3.39Å; Q242-T245 PolarHBondContact O-N 3.12Å; Q242-K246 PolarHBondContact O-N 3.12Å
243	Q	53.5	Low	46.7	Very low	117 Å²	117	85.5 Å²	85.5	55%	0.547	44%	0.444	S	S	.	.	H	α-helix	trans	-69.3	-43.9	-177.9	-165.9	167.8	14	0	0	111.8	S239 I240 I241 T245 K246 Q247	S239-Q243 WeakPolarHBondContact O-CB 3.44Å; S239-Q243 PolarHBondContact O-N 3.33Å; I240-Q243 PolarHBondContact O-N 3.31Å; I241-Q243 VanDerWaalsContact C-N 3.35Å; I241-Q243 PolarHBondContact O-N 2.86Å; Q243-T245 VanDerWaalsContact C-N 3.35Å; Q243-T245 PolarHBondContact O-N 2.83Å; Q243-K246 PolarHBondContact O-N 3.03Å; Q243-Q247 PolarHBondContact O-N 3.35Å
244	L	46.6	Very low	47.5	Very low	29 Å²	29	89.4 Å²	89.4	15%	0.152	46%	0.458	C	S	.	.	H	α-helix	trans	-58.7	-44.2	170.8	-75.7	162.5	0	0	0	111.9	I204 L220 I240 K246 Q247 S248	I204-L244 HydrophobicContact CD1-CD2 3.96Å; I204-L244 HydrophobicContact CG1-CD2 3.84Å; L220-L244 HydrophobicContact CD1-CD1 4.11Å; L220-L244 HydrophobicContact CD1-CD2 4.3Å; I240-L244 HydrophobicContact CG2-CD1 3.75Å; I240-L244 HydrophobicContact CG2-CG 4.48Å; I240-L244 WeakPolarHBondContact O-CB 3.3Å; I240-L244 WeakPolarHBondContact O-CD1 3.4Å; I240-L244 WeakPolarHBondContact O-CG 3.45Å; I240-L244 PolarHBondContact O-N 2.85Å; L244-K246 PolarHBondContact O-N 3.01Å; L244-Q247 PolarHBondContact O-N 3.47Å; L244-S248 WeakPolarHBondContact O-CB 3.31Å; L244-S248 PolarHBondContact O-N 3.28Å
245	T	45.8	Very low	47.9	Very low	88 Å²	88	88.7 Å²	88.7	54%	0.54	45%	0.451	S	S	.	.	H	α-helix	trans	-62.4	-42.6	178.2	-56.4	0	0	0	0	111.2	I241 Q242 Q243 H249	I241-T245 WeakPolarHBondContact O-CB 3.42Å; I241-T245 PolarHBondContact O-N 2.81Å; I241-T245 PolarHBondContact O-OG1 2.96Å; Q242-T245 PolarHBondContact O-N 3.12Å; Q243-T245 VanDerWaalsContact C-N 3.35Å; Q243-T245 PolarHBondContact O-N 2.83Å; T245-H249 WeakPolarHBondContact O-CB 3.45Å; T245-H249 PolarHBondContact O-N 2.73Å
246	K	55.5	Low	48.1	Very low	150 Å²	150	87.4 Å²	87.4	65%	0.652	44%	0.441	S	S	*	.	H	α-helix	trans	-63	-46.3	174.4	-81.8	-176.8	173.4	177.8	0	112.6	Q242 Q243 L244 H249 Q250	Q242-K246 PolarHBondContact O-N 3.12Å; Q243-K246 PolarHBondContact O-N 3.03Å; L244-K246 PolarHBondContact O-N 3.01Å; K246-H249 PolarHBondContact O-N 3.1Å; K246-Q250 WeakPolarHBondContact O-CG 3.11Å; K246-Q250 PolarHBondContact O-N 2.72Å
247	Q	51.6	Low	48.3	Very low	88 Å²	88	89.6 Å²	89.6	41%	0.411	45%	0.447	S	S	.	.	H	α-helix	trans	-65.1	-43.7	179.9	-75.5	-177.4	-44.8	0	0	112.2	Q243 L244 H249 Q250 S251	Q243-Q247 PolarHBondContact O-N 3.35Å; L244-Q247 PolarHBondContact O-N 3.47Å; Q247-H249 VanDerWaalsContact C-N 3.33Å; Q247-H249 PolarHBondContact O-N 3.03Å; Q247-Q250 PolarHBondContact O-N 3.31Å; Q247-S251 PolarHBondContact O-N 3.41Å
248	S	43.9	Very low	48.3	Very low	68 Å²	68	93.5 Å²	93.5	48%	0.476	47%	0.467	S	S	.	.	H	α-helix	trans	-60.3	-42.8	175.2	-177.8	0	0	0	0	111.6	L244 S251 Y252	L244-S248 WeakPolarHBondContact O-CB 3.31Å; L244-S248 PolarHBondContact O-N 3.28Å; S248-S251 PolarHBondContact O-N 3.23Å; S248-Y252 WeakPolarHBondContact O-CB 3.5Å; S248-Y252 PolarHBondContact O-N 3.26Å
249	H	46.8	Very low	48.1	Very low	108 Å²	108	96.5 Å²	96.5	50%	0.5	47%	0.473	S	S	.	.	H	α-helix	trans	-65.3	-40.9	176.9	-164.5	85.3	0	0	0	112.7	T245 K246 Q247 Y252 Q253	T245-H249 WeakPolarHBondContact O-CB 3.45Å; T245-H249 PolarHBondContact O-N 2.73Å; K246-H249 PolarHBondContact O-N 3.1Å; Q247-H249 VanDerWaalsContact C-N 3.33Å; Q247-H249 PolarHBondContact O-N 3.03Å; H249-Y252 PolarHBondContact O-N 2.78Å; H249-Q253 PolarHBondContact CD2-NE2 3.22Å; H249-Q253 PolarHBondContact NE2-NE2 3.14Å; H249-Q253 WeakPolarHBondContact O-CG 3.22Å; H249-Q253 PolarHBondContact O-N 3.32Å
250	Q	56.6	Low	47.8	Very low	123 Å²	123	98 Å²	98	58%	0.575	48%	0.475	S	S	*	.	H	α-helix	trans	-63.8	-42.2	175.1	-76.1	178.2	-34.2	0	0	112.4	K246 Q247 Q253 Q254	K246-Q250 WeakPolarHBondContact O-CG 3.11Å; K246-Q250 PolarHBondContact O-N 2.72Å; Q247-Q250 PolarHBondContact O-N 3.31Å; Q250-Q253 PolarHBondContact O-N 2.88Å; Q250-Q254 PolarHBondContact O-N 3.12Å
251	S	46.8	Very low	47.4	Very low	50 Å²	50	101.6 Å²	101.6	35%	0.35	50%	0.495	S	S	.	.	H	α-helix	trans	-61.7	-43.5	175.6	-172.5	0	0	0	0	111.6	Q247 S248 Q253 Q254 Q255	Q247-S251 PolarHBondContact O-N 3.41Å; S248-S251 PolarHBondContact O-N 3.23Å; S251-Q253 PolarHBondContact O-N 2.78Å; S251-Q254 PolarHBondContact O-N 3.31Å; S251-Q255 PolarHBondContact O-N 2.5Å
252	Y	41.6	Very low	47.1	Very low	140 Å²	140	104 Å²	104	55%	0.549	51%	0.509	S	S	.	.	H	α-helix	trans	-65.4	-37	176.5	-169.7	-109.5	0	0	0	113.1	S248 H249 Q256	S248-Y252 WeakPolarHBondContact O-CB 3.5Å; S248-Y252 PolarHBondContact O-N 3.26Å; H249-Y252 PolarHBondContact O-N 2.78Å; Y252-Q256 PolarHBondContact O-N 3.17Å
253	Q	48.6	Very low	46.6	Very low	93 Å²	93	103.4 Å²	103.4	44%	0.435	51%	0.51	S	S	.	.	H	α-helix	trans	-65.8	-43.3	172.3	-73.6	-171.1	10.4	0	0	112.1	H249 Q250 S251 Q255 Q256 Q257	H249-Q253 PolarHBondContact CD2-NE2 3.22Å; H249-Q253 PolarHBondContact NE2-NE2 3.14Å; H249-Q253 WeakPolarHBondContact O-CG 3.22Å; H249-Q253 PolarHBondContact O-N 3.32Å; Q250-Q253 PolarHBondContact O-N 2.88Å; S251-Q253 PolarHBondContact O-N 2.78Å; Q253-Q255 PolarHBondContact O-N 3.02Å; Q253-Q256 PolarHBondContact O-N 3.41Å; Q253-Q257 WeakPolarHBondContact O-CG 3.29Å; Q253-Q257 PolarHBondContact O-N 2.69Å
254	Q	53.4	Low	45.8	Very low	122 Å²	122	104.1 Å²	104.1	57%	0.57	52%	0.517	S	S	*	.	H	α-helix	trans	-63.8	-39.6	177.2	-74.9	-172.7	2.1	0	0	112.4	Q250 S251 Q256 Q257 Q258	Q250-Q254 PolarHBondContact O-N 3.12Å; S251-Q254 PolarHBondContact O-N 3.31Å; Q254-Q256 PolarHBondContact O-N 3.43Å; Q254-Q257 PolarHBondContact O-N 3.16Å; Q254-Q258 WeakPolarHBondContact O-CG 3.23Å; Q254-Q258 PolarHBondContact O-N 3.02Å
255	Q	46.5	Very low	45.3	Very low	86 Å²	86	109.6 Å²	109.6	40%	0.402	55%	0.547	S	S	.	.	H	α-helix	trans	-61.2	-42.6	174.5	-77.3	-174.1	-6.1	0	0	112.3	N213 S251 Q253 Q258 H259	N213-Q255 PolarHBondContact ND2-NE2 2.93Å; S251-Q255 PolarHBondContact O-N 2.5Å; Q253-Q255 PolarHBondContact O-N 3.02Å; Q255-Q258 PolarHBondContact O-N 2.59Å; Q255-H259 PolarHBondContact O-N 2.95Å
256	Q	45	Very low	44.7	Very low	95 Å²	95	111.8 Å²	111.8	44%	0.444	56%	0.555	S	S	.	*	H	α-helix	trans	-67.4	-36.7	176	-74	-170.3	86.1	0	0	112.8	Y252 Q253 Q254 H259 N260	Y252-Q256 PolarHBondContact O-N 3.17Å; Q253-Q256 PolarHBondContact O-N 3.41Å; Q254-Q256 PolarHBondContact O-N 3.43Å; Q256-H259 PolarHBondContact O-N 3.42Å; Q256-N260 WeakPolarHBondContact O-CB 3.37Å; Q256-N260 PolarHBondContact O-N 2.8Å
257	Q	49.5	Very low	43.7	Very low	114 Å²	114	112 Å²	112	53%	0.533	56%	0.564	S	S	.	*	H	α-helix	trans	-64.7	-40.5	173.8	-71.9	177.8	6	0	0	112.1	Q253 Q254 N260 N261	Q253-Q257 WeakPolarHBondContact O-CG 3.29Å; Q253-Q257 PolarHBondContact O-N 2.69Å; Q254-Q257 PolarHBondContact O-N 3.16Å; Q257-N260 PolarHBondContact O-N 2.7Å; Q257-N261 WeakPolarHBondContact O-CB 3.39Å; Q257-N261 PolarHBondContact O-N 2.83Å; Q257-N261 PolarHBondContact O-ND2 3.15Å
258	Q	43.9	Very low	42.6	Very low	118 Å²	118	115.6 Å²	115.6	55%	0.551	59%	0.586	S	S	*	*	H	α-helix	trans	-67.4	-38.4	174.7	-71.2	-178.5	3.7	0	0	112.4	Q254 Q255 N262	Q254-Q258 WeakPolarHBondContact O-CG 3.23Å; Q254-Q258 PolarHBondContact O-N 3.02Å; Q255-Q258 PolarHBondContact O-N 2.59Å; Q258-N262 WeakPolarHBondContact O-CB 3.43Å; Q258-N262 PolarHBondContact O-N 2.97Å; Q258-N262 VanDerWaalsContact O-N 3.09Å; Q258-N262 PolarHBondContact O-ND2 3.5Å
259	H	41.9	Very low	42	Very low	133 Å²	133	121.4 Å²	121.4	62%	0.616	61%	0.605	S	S	*	*	H	α-helix	trans	-66.1	-38.1	175.5	-113.8	-62	0	0	0	113.1	Q255 Q256 N263	Q255-H259 PolarHBondContact O-N 2.95Å; Q256-H259 PolarHBondContact O-N 3.42Å; H259-N263 PolarHBondContact O-ND2 2.9Å
260	N	40.8	Very low	41.3	Very low	98 Å²	98	125.2 Å²	125.2	52%	0.524	62%	0.623	S	S	.	*	H	α-helix	trans	-73.1	-40.6	176.9	-72.2	-14.4	0	0	0	112.1	Q256 Q257 N262 N263	Q256-N260 WeakPolarHBondContact O-CB 3.37Å; Q256-N260 PolarHBondContact O-N 2.8Å; Q257-N260 PolarHBondContact O-N 2.7Å; N260-N262 PolarHBondContact O-N 3.25Å; N260-N263 PolarHBondContact O-N 3.03Å
261	N	41.9	Very low	40	Very low	108 Å²	108	125.2 Å²	125.2	58%	0.578	63%	0.631	S	S	*	*	H	α-helix	trans	-68.3	-34.2	179.5	-72.1	-12	0	0	0	112.8	Q257 N263	Q257-N261 WeakPolarHBondContact O-CB 3.39Å; Q257-N261 PolarHBondContact O-N 2.83Å; Q257-N261 PolarHBondContact O-ND2 3.15Å; N261-N263 VanDerWaalsContact C-N 3.31Å; N261-N263 PolarHBondContact O-N 2.8Å
262	N	39.8	Very low	39.2	Very low	124 Å²	124	129 Å²	129	66%	0.663	66%	0.655	S	S	*	*	H	α-helix	trans	-72.9	-20.4	176.7	-76.5	-20.2	0	0	0	113.8	Q258 N260	Q258-N262 WeakPolarHBondContact O-CB 3.43Å; Q258-N262 PolarHBondContact O-N 2.97Å; Q258-N262 VanDerWaalsContact O-N 3.09Å; Q258-N262 PolarHBondContact O-ND2 3.5Å; N260-N262 PolarHBondContact O-N 3.25Å
263	N	37.7	Very low	38.4	Very low	119 Å²	119	127.2 Å²	127.2	64%	0.636	66%	0.663	S	S	*	*	H	α-helix	trans	-84.7	-16.3	177.7	-79.1	-14.6	0	0	0	113.8	H259 N260 N261	H259-N263 PolarHBondContact O-ND2 2.9Å; N260-N263 PolarHBondContact O-N 3.03Å; N261-N263 VanDerWaalsContact C-N 3.31Å; N261-N263 PolarHBondContact O-N 2.8Å
264	N	38	Very low	37.4	Very low	133 Å²	133	130.7 Å²	130.7	71%	0.711	68%	0.683	S	S	*	*	S	Bend	trans	-92.3	2.8	-173.5	-77.7	-12.9	0	0	0	115.1
265	N	36.6	Very low	36.1	Very low	143 Å²	143	131 Å²	131	77%	0.765	69%	0.693	S	S	*	*	S	Bend	trans	-115.7	11.7	-167.7	-107.3	-6	0	0	0	115.5
266	N	33.4	Very low	35.1	Very low	135 Å²	135	131.6 Å²	131.6	72%	0.722	71%	0.707	S	S	*	*	S	Bend	trans	-130.8	137.7	176	-79	-57.6	0	0	0	112.5
267	N	33.1	Very low	34.2	Very low	155 Å²	155	134 Å²	134	83%	0.829	72%	0.722	S	S	*	*			trans	73.7	86.6	167.2	-53.8	-10	0	0	0	117.3
268	N	29	Very low	33	Very low	163 Å²	163	136 Å²	136	87%	0.872	74%	0.737	S	S	*	*			trans	-61.6	128.4	142.8	-66.2	-46.5	0	0	0	109.1
269	E	31	Very low	32.2	Very low	190 Å²	190	136.9 Å²	136.9	89%	0.888	75%	0.745	S	S	*	*				-174.1	158.1	125.6	-103.3	174.5	-172.6	0	0	112.4
270	H	32.9	Very low	31.4	Very low	188 Å²	188	140.6 Å²	140.6	87%	0.87	76%	0.76	S	S	*	*			trans	-27.9	133.4	-159.2	-66.6	-25.7	0	0	0	123.3
271	T	28.1	Very low	30.6	Very low	123 Å²	123	142.4 Å²	142.4	76%	0.755	77%	0.768	S	S	*	*			trans	-75.4	164.5	161.8	-8.2	0	0	0	0	112.6
272	P	30	Very low	29.9	Very low	129 Å²	129	142.8 Å²	142.8	84%	0.838	78%	0.779	S	S	*	*				-134.2	154.9	80.9	29.2	-11.3	0	0	0	115.6
273	S	25.7	Very low	29.2	Very low	102 Å²	102	144.5 Å²	144.5	71%	0.713	78%	0.784	S	S	*	*			trans	-91.7	152.7	-173.4	54	0	0	0	0	114.1
274	I	27.2	Very low	28.9	Very low	167 Å²	167	146.7 Å²	146.7	86%	0.856	80%	0.795	S	S	*	*			trans	-136.5	133.9	144.8	-97.9	155.4	0	0	0	109.6
275	T	26.6	Very low	28.4	Very low	129 Å²	129	146.2 Å²	146.2	79%	0.791	80%	0.797	S	S	*	*			trans	-16.6	125.2	-175.5	15.2	0	0	0	0	121.9
276	S	25	Very low	27.9	Very low	98 Å²	98	146.6 Å²	146.6	69%	0.685	80%	0.798	S	S	*	*			trans	-44.9	152.6	155.3	50.8	0	0	0	0	117.3
277	N	25.7	Very low	27.6	Very low	145 Å²	145	145.2 Å²	145.2	78%	0.775	80%	0.796	S	S	*	*				-165.3	83	123.8	-99.7	-3.7	0	0	0	111.5
278	N	25.2	Very low	27.3	Very low	156 Å²	156	145.8 Å²	145.8	83%	0.834	79%	0.794	S	S	*	*			trans	-117.9	94.3	168.5	-86.4	-18.7	0	0	0	108.7	F280	N278-F280 PolarHBondContact O-N 2.88Å
279	N	26.9	Very low	27.2	Very low	136 Å²	136	145 Å²	145	73%	0.727	79%	0.788	S	S	*	*			trans	-78.5	88.3	175.7	-81.3	7	0	0	0	110.8	I281	N279-I281 HydrophobicContact CB-CD1 4.41Å; N279-I281 HydrophobicContact CB-CG1 4.34Å; N279-I281 PolarHBondContact O-N 3.13Å
280	F	24.1	Very low	26.8	Very low	211 Å²	211	143.3 Å²	143.3	93%	0.925	78%	0.778	S	S	*	*			trans	-71.7	102.9	151.5	-102.1	-97.5	0	0	0	107.9	N278	N278-F280 PolarHBondContact O-N 2.88Å
281	I	25.6	Very low	26.5	Very low	136 Å²	136	140.7 Å²	140.7	70%	0.697	78%	0.775	S	S	*	*			trans	-120.4	135.6	167.9	-61.9	-180	0	0	0	107.7	N279	N279-I281 HydrophobicContact CB-CD1 4.41Å; N279-I281 HydrophobicContact CB-CG1 4.34Å; N279-I281 PolarHBondContact O-N 3.13Å
282	S	27	Very low	26.3	Very low	116 Å²	116	142.7 Å²	142.7	81%	0.811	78%	0.776	S	S	*	*			trans	-104.1	105.2	-169.5	54.3	0	0	0	0	111.7
283	E	25.8	Very low	26.1	Very low	161 Å²	161	141.8 Å²	141.8	75%	0.752	77%	0.772	S	S	*	*			trans	-128.8	132.6	165.5	-72.5	-167.9	144.8	0	0	110.6
284	N	30.5	Very low	26	Very low	164 Å²	164	144.1 Å²	144.1	88%	0.877	78%	0.776	S	S	*	*			trans	-148.4	63.1	174.3	-107.3	-32.8	0	0	0	108.3
285	T	27.1	Very low	26	Very low	124 Å²	124	147.5 Å²	147.5	76%	0.761	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-70.5	128.6	175.1	-55.5	0	0	0	0	109.4	P287	T285-P287 WeakPolarHBondContact O-CD 3.4Å
286	I	26.4	Very low	26	Very low	151 Å²	151	147.2 Å²	147.2	77%	0.774	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-75.7	127.2	-170.4	-60.8	169	0	0	0	110.3	E288	I286-E288 PolarHBondContact O-N 3.34Å
287	P	27.4	Very low	26	Very low	106 Å²	106	149.6 Å²	149.6	69%	0.688	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-67.3	124.5	166.9	-17.7	31.7	0	0	0	110.6	T285 I289	T285-P287 WeakPolarHBondContact O-CD 3.4Å; P287-I289 PolarHBondContact O-N 2.95Å
288	E	25.9	Very low	26	Very low	167 Å²	167	150.1 Å²	150.1	78%	0.78	78%	0.784	S	S	*	*			trans	-71.2	98.9	175	-174.4	-179.5	-120.4	0	0	110.1	I286 K290	I286-E288 PolarHBondContact O-N 3.34Å; E288-K290 PolarHBondContact O-N 2.95Å
289	I	26.5	Very low	26	Very low	147 Å²	147	148.4 Å²	148.4	75%	0.754	78%	0.779	S	S	*	*			trans	-74.6	91.4	178.3	-57.3	176.4	0	0	0	109.4	P287 T291	P287-I289 PolarHBondContact O-N 2.95Å; I289-T291 PolarHBondContact O-N 3.3Å
290	K	23.9	Very low	26.2	Very low	154 Å²	154	149.9 Å²	149.9	67%	0.67	79%	0.787	S	S	*	*			trans	-62.3	118.9	161.7	-73.3	-178.8	177.9	176.3	0	109.4	E288 E292	E288-K290 PolarHBondContact O-N 2.95Å; K290-E292 PolarHBondContact O-N 3.3Å; K290-E292 VanDerWaalsContact O-N 3.09Å
291	T	25.5	Very low	26.3	Very low	132 Å²	132	144.8 Å²	144.8	81%	0.81	77%	0.773	S	S	*	*			trans	-81.1	81.1	175.2	51.2	0	0	0	0	110.6	I289 S293	I289-T291 PolarHBondContact O-N 3.3Å; T291-S293 PolarHBondContact O-N 3.09Å
292	E	25.2	Very low	26.3	Very low	166 Å²	166	146.7 Å²	146.7	78%	0.776	78%	0.779	S	S	*	*			trans	-79.6	111.9	165.4	-72.4	-172.7	-176.5	0	0	109.6	K290	K290-E292 PolarHBondContact O-N 3.3Å; K290-E292 VanDerWaalsContact O-N 3.09Å
293	S	24.7	Very low	26.5	Very low	109 Å²	109	150.7 Å²	150.7	76%	0.762	79%	0.785	S	S	*	*			trans	-87.7	108.1	-174.7	53.7	0	0	0	0	111.5	T291	T291-S293 PolarHBondContact O-N 3.09Å
294	I	23.7	Very low	26.4	Very low	152 Å²	152	150.6 Å²	150.6	78%	0.779	79%	0.79	S	S	*	*			trans	-114.9	85.5	166.2	-53.3	-179	0	0	0	108.9
295	W	26.5	Very low	26.4	Very low	238 Å²	238	149.8 Å²	149.8	90%	0.902	79%	0.791	S	S	*	*			trans	-124	123.5	160.8	-71.9	98.9	0	0	0	107.3	D297	W295-D297 PolarHBondContact O-N 2.77Å
296	T	26.7	Very low	26.4	Very low	123 Å²	123	152.7 Å²	152.7	76%	0.755	79%	0.793	S	S	*	*			trans	-82.1	109.7	177.7	45.1	0	0	0	0	110.1	D298	T296-D298 PolarHBondContact O-N 3Å; T296-D298 VanDerWaalsContact O-N 3.14Å
297	D	25.7	Very low	26.4	Very low	148 Å²	148	153.4 Å²	153.4	79%	0.791	80%	0.797	S	S	*	*			trans	-73.3	95.1	175.5	-85.6	-37.9	0	0	0	111.8	W295	W295-D297 PolarHBondContact O-N 2.77Å
298	D	26.3	Very low	26.5	Very low	156 Å²	156	153.3 Å²	153.3	83%	0.834	80%	0.797	S	S	*	*			trans	-98.7	38.8	171.3	-97.2	-36.8	0	0	0	112.8	T296	T296-D298 PolarHBondContact O-N 3Å; T296-D298 VanDerWaalsContact O-N 3.14Å
299	T	25.7	Very low	26.4	Very low	119 Å²	119	149.7 Å²	149.7	73%	0.73	79%	0.79	S	S	*	*			trans	-138.1	94.9	162.9	56.9	0	0	0	0	111.6
300	N	29.9	Very low	26.5	Very low	167 Å²	167	149.6 Å²	149.6	89%	0.893	79%	0.791	S	S	*	*			trans	-134.8	139.3	162.7	-132.4	-32.3	0	0	0	111
301	T	26.8	Very low	26.7	Very low	105 Å²	105	146.9 Å²	146.9	64%	0.644	79%	0.792	S	S	*	*			trans	-128	125.1	-160.3	-63.8	0	0	0	0	111.3
302	Q	25.7	Very low	26.8	Very low	176 Å²	176	146.4 Å²	146.4	82%	0.822	79%	0.788	S	S	*	*			trans	56.1	116.8	166.5	-64.8	172.2	45	0	0	117.9
303	Q	29.9	Very low	26.9	Very low	200 Å²	200	142.9 Å²	142.9	94%	0.935	78%	0.782	S	S	*	*				-150.4	147.7	126.9	-113.1	171.7	35.4	0	0	110.8
304	N	25.4	Very low	26.8	Very low	158 Å²	158	148.2 Å²	148.2	85%	0.845	79%	0.787	S	S	*	*			trans	-91	135	-174.1	-78.5	-60.2	0	0	0	112.1
305	T	29.6	Very low	27	Very low	148 Å²	148	148.1 Å²	148.1	91%	0.908	79%	0.787	S	S	*	*			trans	-140.4	138.1	143.6	-45.8	0	0	0	0	110
306	K	26.2	Very low	27	Very low	185 Å²	185	144.5 Å²	144.5	80%	0.804	78%	0.78	S	S	*	*			trans	-87.9	146.6	-177.1	-59.9	168.3	179.8	173.5	0	111.5
307	L	27.6	Very low	26.9	Very low	165 Å²	165	143.4 Å²	143.4	86%	0.864	78%	0.777	S	S	*	*				-175.7	164.8	112.3	-111.5	81.6	0	0	0	109
308	P	28.4	Very low	27.1	Very low	105 Å²	105	142.4 Å²	142.4	68%	0.682	78%	0.777	S	S	*	*			trans	-136.2	-176.8	-130	37.8	-16.3	0	0	0	117.4
309	S	25.3	Very low	27.1	Very low	90 Å²	90	142.2 Å²	142.2	63%	0.629	78%	0.776	S	S	*	*			trans	62.1	107.7	145.1	59.3	0	0	0	0	120.1
310	N	28.9	Very low	27.1	Very low	146 Å²	146	147.4 Å²	147.4	78%	0.781	78%	0.782	S	S	*	*				178.1	116.7	105.3	-88.8	-19.6	0	0	0	110.1
311	S	27	Very low	27.2	Very low	97 Å²	97	145 Å²	145	68%	0.678	78%	0.776	S	S	*	*				83.3	129.5	82.7	83	0	0	0	0	112.5
312	T	28.4	Very low	27.2	Very low	121 Å²	121	145.3 Å²	145.3	74%	0.742	78%	0.777	S	S	*	*			cis	-160.3	163.6	7.6	-27.3	0	0	0	0	111.4
313	S	26	Very low	27.2	Very low	92 Å²	92	143.6 Å²	143.6	64%	0.643	77%	0.774	S	S	*	*			trans	22.9	121.2	148.6	57	0	0	0	0	121.2
314	Y	24.2	Very low	27	Very low	221 Å²	221	140.4 Å²	140.4	87%	0.867	77%	0.768	S	S	*	*				101.2	161.3	59.7	-112.6	-91.6	0	0	0	113.6
315	I	27.9	Very low	27.2	Very low	151 Å²	151	137.9 Å²	137.9	77%	0.774	76%	0.76	S	S	*	*			trans	74.8	116.2	179.6	-47.2	176.5	0	0	0	112.8
316	Q	25.7	Very low	27.1	Very low	161 Å²	161	139 Å²	139	75%	0.752	76%	0.759	S	S	*	*			cis	114.5	136.6	14.8	-174.9	-176.3	-1.7	0	0	111.5
317	S	25.1	Very low	27	Very low	101 Å²	101	135.7 Å²	135.7	71%	0.706	75%	0.754	S	S	*	*			trans	75.9	146.5	176.2	-55	0	0	0	0	115.7
318	T	29.2	Very low	26.9	Very low	126 Å²	126	136.7 Å²	136.7	77%	0.773	75%	0.751	S	S	*	*			cis	-156.1	166.4	-5.5	4.2	0	0	0	0	112.8
319	N	26.1	Very low	26.7	Very low	153 Å²	153	137.9 Å²	137.9	82%	0.818	75%	0.751	S	S	*	*			trans	-50.8	150.6	176.4	-45.4	-58.5	0	0	0	116
320	R	26.3	Very low	26.8	Very low	228 Å²	228	140.6 Å²	140.6	86%	0.86	75%	0.753	S	S	*	*				172.8	133.9	98.5	-172.5	172.1	-171.7	167	1.7	113.1
321	P	30.7	Very low	26.8	Very low	117 Å²	117	139.2 Å²	139.2	76%	0.76	75%	0.746	S	S	*	*			trans	-96.9	152.7	172.7	36.8	-33.4	0	0	0	113.1
322	T	28.4	Very low	26.9	Very low	110 Å²	110	140.2 Å²	140.2	68%	0.675	74%	0.744	S	S	*	*			trans	-163.7	130.7	167	-70.8	0	0	0	0	111.3
323	N	25.7	Very low	27.1	Very low	141 Å²	141	141.2 Å²	141.2	75%	0.754	74%	0.743	S	S	*	*			trans	19.5	148.9	140.8	-48.4	-9.5	0	0	0	119.8
324	T	25.9	Very low	27.3	Very low	132 Å²	132	142 Å²	142	81%	0.81	74%	0.744	S	S	*	*			cis	-164.5	178.7	16.5	-1.1	0	0	0	0	109.2
325	P	29.7	Very low	27.6	Very low	106 Å²	106	137.5 Å²	137.5	69%	0.688	74%	0.74	S	S	*	*			trans	-94.1	174.6	-168.6	39.7	-37.8	0	0	0	114.8
326	I	26.4	Very low	27.8	Very low	172 Å²	172	133.6 Å²	133.6	88%	0.882	74%	0.737	S	S	*	*			trans	-173.6	157.5	135.9	-99	154.9	0	0	0	112.9
327	V	23.2	Very low	28.2	Very low	114 Å²	114	133 Å²	133	69%	0.691	74%	0.739	S	S	*	*			trans	-81.5	140.5	-175	-177.6	0	0	0	0	113.8
328	K	26.3	Very low	28.6	Very low	187 Å²	187	133.8 Å²	133.8	81%	0.813	74%	0.739	S	S	*	*			trans	168.6	123.8	134.4	-92.1	164.9	-177.8	-173.5	0	109.8
329	I	25.1	Very low	28.7	Very low	130 Å²	130	134.9 Å²	134.9	67%	0.667	74%	0.735	S	S	*	*				87.5	136.3	63.8	-73.8	174	0	0	0	113.1
330	Q	27.3	Very low	29	Very low	147 Å²	147	133.5 Å²	133.5	69%	0.687	73%	0.728	S	S	*	*			trans	95.7	120.9	160.1	-122.2	49.2	73.4	0	0	119.8
331	D	28.6	Very low	29.1	Very low	116 Å²	116	128.2 Å²	128.2	62%	0.62	72%	0.721	S	S	*	*			trans	71.7	146.1	131.4	-80.5	24.1	0	0	0	122.1
332	N	28.8	Very low	28.9	Very low	119 Å²	119	129.3 Å²	129.3	64%	0.636	72%	0.72	S	S	*	*			cis	-162.9	-174.8	-2.3	-141.5	-39	0	0	0	112.6
333	I	31.7	Very low	29	Very low	142 Å²	142	131 Å²	131	73%	0.728	72%	0.721	S	S	*	*			trans	75.9	133.4	147	-78.9	161.3	0	0	0	117.5
334	T	31.2	Very low	29.1	Very low	107 Å²	107	130.8 Å²	130.8	66%	0.656	72%	0.719	S	S	*	*			cis	-167.4	146.3	-7.8	-124.9	0	0	0	0	115.8
335	T	30.6	Very low	29.3	Very low	127 Å²	127	130.1 Å²	130.1	78%	0.779	72%	0.72	S	S	*	*			trans	53.5	148.8	157.9	60.9	0	0	0	0	123.3
336	G	32.2	Very low	29.3	Very low	69 Å²	69	133.1 Å²	133.1	71%	0.711	72%	0.722	S	S	*	*			trans	-164.4	-28.8	175.5	0	0	0	0	0	118.9
337	N	33.7	Very low	29.5	Very low	150 Å²	150	131.8 Å²	131.8	80%	0.802	71%	0.714	S	S	*	*			trans	65.1	174.4	174.2	-58.2	1.7	0	0	0	113.1
338	V	33.1	Very low	29.8	Very low	117 Å²	117	134.6 Å²	134.6	71%	0.709	72%	0.72	S	S	*	*			cis	-167.7	143.4	-16.5	124.7	0	0	0	0	104.6
339	E	32.5	Very low	29.9	Very low	149 Å²	149	132.7 Å²	132.7	70%	0.696	72%	0.723	S	S	*	*			cis	-164.5	-164.8	3.8	-139.3	173.3	-122.7	0	0	112
340	N	31.1	Very low	30.2	Very low	124 Å²	124	129.8 Å²	129.8	66%	0.663	73%	0.725	S	S	*	*			trans	11.1	155.9	148	-76	-41.5	0	0	0	123.3
341	V	28.4	Very low	30.2	Very low	117 Å²	117	131.8 Å²	131.8	71%	0.709	73%	0.732	S	S	*	*			cis	-179.6	143.1	-32.2	124.7	0	0	0	0	109.2
342	N	28.1	Very low	30.1	Very low	139 Å²	139	133.5 Å²	133.5	74%	0.743	74%	0.74	S	S	*	*			trans	75.7	151	160.3	-109.1	-30	0	0	0	124.1
343	Q	29.4	Very low	30.1	Very low	147 Å²	147	134.6 Å²	134.6	69%	0.687	75%	0.746	S	S	*	*			trans	78.4	103.8	152.4	-72.8	179.1	28.9	0	0	122.9
344	N	28	Very low	30.2	Very low	136 Å²	136	132.2 Å²	132.2	73%	0.727	74%	0.74	S	S	*	*				99.1	125.1	126.3	-63.6	-14.7	0	0	0	121.6
345	S	30.6	Very low	29.9	Very low	118 Å²	118	136.5 Å²	136.5	83%	0.825	75%	0.745	S	S	*	*			trans	73.2	139.9	168.9	81.9	0	0	0	0	116.4
346	K	30.3	Very low	29.7	Very low	169 Å²	169	138.3 Å²	138.3	74%	0.735	75%	0.745	S	S	*	*			cis	-154.1	133	7.8	-153.9	177.3	-179.3	-179.7	0	112.9
347	M	30.6	Very low	29.5	Very low	144 Å²	144	143.7 Å²	143.7	71%	0.709	75%	0.754	S	S	*	*			trans	53.1	108.2	161	-68.2	154.1	177.3	0	0	117.5
348	E	29.6	Very low	29.5	Very low	173 Å²	173	144.1 Å²	144.1	81%	0.808	75%	0.751	S	S	*	*				76.8	132.6	61.2	-67.3	-176.8	114.2	0	0	114.9
349	V	27.8	Very low	29.4	Very low	146 Å²	146	143.6 Å²	143.6	89%	0.885	75%	0.75	S	S	*	*			cis	123.9	139.5	-1.6	170.2	0	0	0	0	113
350	G	30.4	Very low	29	Very low	69 Å²	69	141 Å²	141	71%	0.711	74%	0.744	S	S	*	*			trans	118.9	116.6	174.1	0	0	0	0	0	112.5
351	K	28	Very low	28.7	Very low	189 Å²	189	143 Å²	143	82%	0.822	75%	0.749	S	S	*	*			cis	78.4	123.6	5.1	-118.6	-174.8	-173.1	-176.7	0	117.4
352	L	26.4	Very low	28.7	Very low	153 Å²	153	146.8 Å²	146.8	80%	0.801	76%	0.759	S	S	*	*			trans	71.8	154	170.9	-50	171.3	0	0	0	114.2
353	N	29.1	Very low	28.6	Very low	141 Å²	141	145.4 Å²	145.4	75%	0.754	76%	0.756	S	S	*	*			cis	-151.2	175.6	2.4	-133.1	15.1	0	0	0	110.7
354	P	34.3	Very low	28.4	Very low	92 Å²	92	143.6 Å²	143.6	60%	0.597	76%	0.755	S	S	*	*			trans	-99.4	-177.9	178.6	37.8	-31.6	0	0	0	114.9
355	Y	24.8	Very low	28.3	Very low	198 Å²	198	145.5 Å²	145.5	78%	0.776	76%	0.757	S	S	*	*			trans	102.9	131.9	172.1	-73	-87.1	0	0	0	118.9
356	E	25.2	Very low	28.1	Very low	164 Å²	164	145.1 Å²	145.1	77%	0.766	75%	0.749	S	S	*	*			trans	35	123.7	146.3	-66.4	161.9	-167	0	0	119.3
357	M	28	Very low	27.9	Very low	183 Å²	183	143.2 Å²	143.2	90%	0.901	75%	0.748	S	S	*	*				-156.4	145.7	66.7	-82.6	179.7	168.2	0	0	113.8
358	E	33.4	Very low	27.8	Very low	158 Å²	158	144 Å²	144	74%	0.738	75%	0.749	S	S	*	*			trans	-85.5	158.7	151	-146.2	-159.6	-113.8	0	0	108.4	T360	E358-T360 PolarHBondContact OE2-N 3.38Å; E358-T360 VanDerWaalsContact OE2-N 3.14Å
359	P	30.7	Very low	27.8	Very low	107 Å²	107	143.8 Å²	143.8	70%	0.695	75%	0.748	S	S	*	*				-150.8	144	90.7	39.7	-22.2	0	0	0	116.8
360	T	25.4	Very low	28	Very low	94 Å²	94	142.4 Å²	142.4	58%	0.577	73%	0.734	S	S	*	*			trans	39.2	133.6	137.2	66.3	0	0	0	0	123.4	E358	E358-T360 PolarHBondContact OE2-N 3.38Å; E358-T360 VanDerWaalsContact OE2-N 3.14Å
361	H	25.3	Very low	27.8	Very low	166 Å²	166	150 Å²	150	77%	0.769	74%	0.741	S	S	*	*			trans	51.8	120.2	138.5	-67.6	-62.6	0	0	0	121
362	E	27.3	Very low	27.9	Very low	196 Å²	196	146.4 Å²	146.4	92%	0.916	74%	0.74	S	S	*	*				-152	173.2	97.2	-122.1	-178.1	-171.6	0	0	113
363	T	25.9	Very low	28.1	Very low	111 Å²	111	147.7 Å²	147.7	68%	0.681	74%	0.741	S	S	*	*			trans	-129.5	173.8	-165.2	-48.5	0	0	0	0	110.5
364	V	25.2	Very low	28.3	Very low	109 Å²	109	145.5 Å²	145.5	66%	0.661	74%	0.735	S	S	*	*			trans	101	139.8	153	-173.2	0	0	0	0	118.5
365	K	25.8	Very low	27.9	Very low	175 Å²	175	148.4 Å²	148.4	76%	0.761	75%	0.745	S	S	*	*			trans	69	117.3	171.7	-71.5	142.1	-160.9	163	0	116.2
366	T	26.8	Very low	27.9	Very low	110 Å²	110	143.1 Å²	143.1	68%	0.675	74%	0.738	S	S	*	*			cis	80.5	147.4	35.8	80.6	0	0	0	0	115.8
367	N	26.3	Very low	27.9	Very low	130 Å²	130	145.1 Å²	145.1	70%	0.695	74%	0.74	S	S	*	*			trans	78.2	150.9	171.4	-48.7	-2.8	0	0	0	114.8
368	H	27.8	Very low	27.9	Very low	159 Å²	159	143.1 Å²	143.1	74%	0.736	73%	0.733	S	S	*	*			cis	-168	168.2	-27.4	-104.5	-47.7	0	0	0	107.9
369	H	31	Very low	27.5	Very low	170 Å²	170	142.9 Å²	142.9	79%	0.787	74%	0.737	S	S	*	*			trans	120.9	141.7	163.4	-67.3	-11.6	0	0	0	114.2
370	I	30.8	Very low	27.4	Very low	116 Å²	116	142.9 Å²	142.9	60%	0.595	74%	0.737	S	S	*	*			cis	-152.2	154.4	-11.5	-118.4	163.2	0	0	0	109.6
371	W	26.1	Very low	27.5	Very low	229 Å²	229	145.5 Å²	145.5	87%	0.867	75%	0.747	S	S	*	*			trans	15.7	150.6	159	-56.1	-20.6	0	0	0	122.8
372	S	30.6	Very low	27.5	Very low	113 Å²	113	146.3 Å²	146.3	79%	0.79	75%	0.751	S	S	*	*			cis	-162.3	156.8	2.2	32.4	0	0	0	0	113.6
373	H	29.6	Very low	27.5	Very low	180 Å²	180	142.9 Å²	142.9	83%	0.833	74%	0.743	S	S	*	*			trans	-65.3	-177.9	161	-75.6	-63.7	0	0	0	112.9
374	P	34.4	Very low	27.6	Very low	95 Å²	95	143.5 Å²	143.5	62%	0.617	75%	0.746	S	S	*	*			cis	-133.3	-172.9	2.4	42.9	-25.9	0	0	0	115.4
375	D	25.7	Very low	27.7	Very low	153 Å²	153	145.7 Å²	145.7	82%	0.818	75%	0.754	S	S	*	*			trans	64.6	163.5	149.8	-61.5	-24.8	0	0	0	118.5
376	S	25.2	Very low	27.7	Very low	88 Å²	88	142.9 Å²	142.9	62%	0.615	75%	0.752	S	S	*	*			cis	-160.7	134.3	-9.1	133.2	0	0	0	0	110.7
377	Y	25.4	Very low	27.8	Very low	206 Å²	206	145.4 Å²	145.4	81%	0.808	76%	0.762	S	S	*	*			trans	63.3	148.8	154.4	-73.7	-115.2	0	0	0	121.2
378	D	26.6	Very low	27.7	Very low	140 Å²	140	147.9 Å²	147.9	75%	0.749	77%	0.774	S	S	*	*			trans	19.8	134.8	150	-48.7	-24.3	0	0	0	119.6
379	N	26.1	Very low	27.6	Very low	154 Å²	154	143.4 Å²	143.4	82%	0.824	77%	0.771	S	S	*	*			cis	-166.2	149.1	48.4	-154.3	4.1	0	0	0	109.7
380	P	28.6	Very low	27.3	Very low	107 Å²	107	147.2 Å²	147.2	70%	0.695	78%	0.78	S	S	*	*			trans	-92.4	121.9	-177	33	-28	0	0	0	113
381	N	26.3	Very low	27.1	Very low	148 Å²	148	146.6 Å²	146.6	79%	0.791	79%	0.786	S	S	*	*			trans	171.9	129.9	147	-96	-46.1	0	0	0	111.7
382	Q	26.8	Very low	27	Very low	183 Å²	183	147.4 Å²	147.4	86%	0.855	79%	0.789	S	S	*	*			trans	64	149.5	167.4	-51	176.6	17.6	0	0	114.5
383	V	26	Very low	26.8	Very low	124 Å²	124	150.9 Å²	150.9	75%	0.752	79%	0.793	S	S	*	*			cis	-130.2	153.9	-8.2	-174.7	0	0	0	0	105.8
384	V	28.1	Very low	26.8	Very low	124 Å²	124	148.3 Å²	148.3	75%	0.752	79%	0.789	S	S	*	*				179.6	141.9	101.6	157.5	0	0	0	0	107.7
385	N	27.5	Very low	26.4	Very low	155 Å²	155	149 Å²	149	83%	0.829	79%	0.792	S	S	*	*			trans	-129.3	86.8	-167	-179.7	30	0	0	0	112.3
386	T	26.3	Very low	26.5	Very low	116 Å²	116	147.5 Å²	147.5	71%	0.712	78%	0.784	S	S	*	*			trans	-149.6	87.7	175.1	33.5	0	0	0	0	112.1
387	N	28.3	Very low	26.7	Very low	164 Å²	164	147.8 Å²	147.8	88%	0.877	78%	0.782	S	S	*	*			trans	-176.3	121.1	138.9	-99.2	-49.9	0	0	0	110.9
388	L	25.4	Very low	26.8	Very low	182 Å²	182	141.7 Å²	141.7	95%	0.953	77%	0.769	S	S	*	*			trans	-77.3	140.5	177.4	-97	61.7	0	0	0	111
389	G	25.3	Very low	26.8	Very low	65 Å²	65	144.6 Å²	144.6	67%	0.67	77%	0.77	S	S	*	*			trans	-173.9	60.2	-176.5	0	0	0	0	0	116.5	S391	G389-S391 PolarHBondContact O-N 2.97Å
390	Y	24.1	Very low	27	Very low	250 Å²	250	143.4 Å²	143.4	98%	0.98	76%	0.763	S	S	*	*			trans	29.7	59.2	153.7	-87.8	-84.5	0	0	0	118.8
391	S	26.2	Very low	27	Very low	103 Å²	103	144.9 Å²	144.9	72%	0.72	76%	0.764	S	S	*	*			trans	-154.5	77.6	176	-164.6	0	0	0	0	115.1	G389	G389-S391 PolarHBondContact O-N 2.97Å
392	R	24.9	Very low	27.1	Very low	245 Å²	245	143.3 Å²	143.3	93%	0.925	76%	0.756	S	S	*	*	S	Bend	trans	-173.5	49.9	159.4	-107.1	157.4	-160.1	-105.6	6.3	116.2
393	Q	26.8	Very low	27.3	Very low	186 Å²	186	140 Å²	140	87%	0.869	75%	0.748	S	S	*	*	S	Bend	trans	-144.4	-11.4	166.9	-111.4	168.8	47.2	0	0	116.4	T395	Q393-T395 PolarHBondContact O-N 2.82Å
394	V	28.5	Very low	27.3	Very low	127 Å²	127	143 Å²	143	77%	0.77	75%	0.751	S	S	*	*	S	Bend	trans	-104.7	54.7	-171.3	-162.7	0	0	0	0	112.7
395	T	26.9	Very low	27.2	Very low	109 Å²	109	148.6 Å²	148.6	67%	0.669	76%	0.758	S	S	*	*	S	Bend	trans	-131.8	-12.2	-177.3	46.1	0	0	0	0	116.7	Q393	Q393-T395 PolarHBondContact O-N 2.82Å
396	N	27.2	Very low	27.1	Very low	121 Å²	121	145.5 Å²	145.5	65%	0.647	75%	0.747	S	S	*	*	S	Bend	trans	-96.6	-21.4	178.4	-91.6	-24	0	0	0	115.2	S398 R399	N396-S398 PolarHBondContact O-N 2.74Å; N396-R399 PolarHBondContact O-N 2.96Å
397	V	28.6	Very low	27.1	Very low	94 Å²	94	150.5 Å²	150.5	57%	0.57	75%	0.753	S	S	*	*	H	α-helix	trans	-63.2	-44.6	179.3	-172.6	0	0	0	0	111.1	R399 L400 L401	V397-R399 VanDerWaalsContact C-N 3.26Å; V397-R399 PolarHBondContact O-N 3.41Å; V397-L400 PolarHBondContact O-N 3.32Å; V397-L401 HydrophobicContact CG1-CD1 4.18Å; V397-L401 PolarHBondContact O-N 2.81Å
398	S	27.8	Very low	27	Very low	78 Å²	78	151.2 Å²	151.2	55%	0.545	75%	0.753	S	S	.	*	H	α-helix	trans	-69.8	-14	-175.4	-46.6	0	0	0	0	115	N396	N396-S398 PolarHBondContact O-N 2.74Å
399	R	27.5	Very low	26.9	Very low	201 Å²	201	153.3 Å²	153.3	76%	0.758	75%	0.748	S	S	*	*	H	α-helix	trans	-90.4	-29.4	174	-78.2	-176.5	172.8	171.2	-1.1	113	N396 V397 N402	N396-R399 PolarHBondContact O-N 2.96Å; V397-R399 VanDerWaalsContact C-N 3.26Å; V397-R399 PolarHBondContact O-N 3.41Å; R399-N402 PolarHBondContact O-N 3.13Å
400	L	29.6	Very low	27	Very low	130 Å²	130	153.4 Å²	153.4	68%	0.681	74%	0.739	S	S	*	*	H	α-helix	trans	-69.4	-35.4	172.4	-74.5	166.9	0	0	0	111.9	V397 N402	V397-L400 PolarHBondContact O-N 3.32Å; L400-N402 PolarHBondContact O-N 2.88Å
401	L	30.1	Very low	27.7	Very low	137 Å²	137	148 Å²	148	72%	0.717	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-5.4	178.4	-67.7	172.1	0	0	0	114.9	V397	V397-L401 HydrophobicContact CG1-CD1 4.18Å; V397-L401 PolarHBondContact O-N 2.81Å
402	N	28.3	Very low	28.3	Very low	116 Å²	116	149.3 Å²	149.3	62%	0.62	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.5	9.9	-175.9	-116.6	-19.8	0	0	0	114.2	R399 L400 K404	R399-N402 PolarHBondContact O-N 3.13Å; L400-N402 PolarHBondContact O-N 2.88Å; N402-K404 PolarHBondContact O-N 3.45Å
403	V	29.2	Very low	29.4	Very low	113 Å²	113	146.4 Å²	146.4	69%	0.685	71%	0.705	S	S	*	*	S	Bend	trans	-75	99.9	173.3	-177.8	0	0	0	0	109.7	R405	V403-R405 PolarHBondContact O-N 3.24Å
404	K	27.3	Very low	30.9	Very low	188 Å²	188	142.1 Å²	142.1	82%	0.817	69%	0.688	S	S	*	*			trans	-17.4	118.3	171.7	-67.9	175.8	176.6	176.4	0	114.3	N402 P406	N402-K404 PolarHBondContact O-N 3.45Å; K404-P406 WeakPolarHBondContact O-CD 3.49Å
405	R	26.5	Very low	32.8	Very low	240 Å²	240	142.8 Å²	142.8	91%	0.906	68%	0.677	S	S	*	*			trans	-36.5	126.4	172.1	-64.5	177.7	-178.8	171.7	-0.9	112.9	V403	V403-R405 PolarHBondContact O-N 3.24Å
406	P	23.7	Very low	35.5	Very low	91 Å²	91	138.7 Å²	138.7	59%	0.591	65%	0.65	S	S	*	*			trans	-133.2	171.6	151.4	29.2	-7	0	0	0	111.2	K404 M408	K404-P406 WeakPolarHBondContact O-CD 3.49Å; P406-M408 PolarHBondContact O-N 3.34Å
407	W	27.7	Very low	38.2	Very low	220 Å²	220	133.3 Å²	133.3	83%	0.833	62%	0.622	S	S	*	*			trans	60.2	34.6	170.4	-47.9	98.1	0	0	0	117.7	R409	W407-R409 PolarHBondContact O-N 2.94Å
408	M	25.2	Very low	41	Very low	180 Å²	180	128.8 Å²	128.8	89%	0.887	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	43.2	161.6	-145	-178.4	107.9	0	0	112	P406	P406-M408 PolarHBondContact O-N 3.34Å
409	R	24.7	Very low	43.8	Very low	226 Å²	226	127.8 Å²	127.8	85%	0.853	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-149.1	16.7	-176.4	-75.8	-163.2	175.5	-151.7	-0.4	113.2	W407	W407-R409 PolarHBondContact O-N 2.94Å
410	S	27	Very low	46.7	Very low	67 Å²	67	118.3 Å²	118.3	47%	0.469	54%	0.543	S	S	.	.			trans	-67.8	147.4	163.3	47.9	0	0	0	0	110.1	D414	S410-D414 WeakPolarHBondContact CB-OD2 3.48Å
411	H	37.2	Very low	49.6	Very low	137 Å²	137	114 Å²	114	63%	0.634	52%	0.522	S	S	*	.			trans	-81.1	163.8	-170.8	-64.9	-79.6	0	0	0	111.1	R413 D414	H411-R413 HydrophobicContact CB-CB 4.33Å; H411-R413 HydrophobicContact CB-CG 4.29Å; H411-R413 PolarHBondContact O-N 2.84Å; H411-D414 PolarHBondContact N-OD2 3.09Å; H411-D414 PolarHBondContact O-N 3.31Å
412	H	39.7	Very low	52.4	Low	129 Å²	129	109.6 Å²	109.6	60%	0.597	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-53.8	-17.2	170.4	-72.7	-122.4	0	0	0	113.2	D414 Q466 D562	H412-D414 PolarHBondContact O-N 2.94Å; H412-Q466 PolarHBondContact O-NE2 3.27Å; H412-D562 IonicContact CE1-OD2 3.68Å; H412-D562 IonicContact CG-OD2 4Å; H412-D562 IonicContact ND1-OD2 2.69Å; H412-D562 PolarHBondContact ND1-OD2 2.87Å
413	R	48.6	Very low	55.2	Low	184 Å²	184	106 Å²	106	69%	0.694	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-64.6	-18.8	176.4	-60.4	-173.4	-178.5	-156.4	2	114	H411 P468	H411-R413 HydrophobicContact CB-CB 4.33Å; H411-R413 HydrophobicContact CB-CG 4.29Å; H411-R413 PolarHBondContact O-N 2.84Å; R413-P468 WeakPolarHBondContact O-CA 3.41Å; R413-P468 VanDerWaalsContact O-CB 3.29Å; R413-P468 WeakPolarHBondContact O-CB 3.26Å
414	D	58.5	Low	57.9	Low	96 Å²	96	103 Å²	103	51%	0.513	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-103.5	15.3	-169.7	-48.6	-34.1	0	0	0	112.5	S410 H411 H412	S410-D414 WeakPolarHBondContact CB-OD2 3.48Å; H411-D414 PolarHBondContact N-OD2 3.09Å; H411-D414 PolarHBondContact O-N 3.31Å; H412-D414 PolarHBondContact O-N 2.94Å
415	R	67.5	Low	60.4	Low	142 Å²	142	100.1 Å²	100.1	54%	0.536	46%	0.456	S	S	.	.	S	Bend	trans	-133.5	151.7	-177.8	-63.1	-173.2	-176.9	-165.8	-0.6	112.6	V417	R415-V417 HydrophobicContact CB-CG1 4.07Å; R415-V417 PolarHBondContact O-N 3.24Å
416	F	82.8	Confident	62.5	Low	22 Å²	22	96.1 Å²	96.1	10%	0.096	44%	0.441	C	S	.	.			trans	-80.5	102.1	168.4	-67.4	-85	0	0	0	109.4	L467 P468 L470 W521 F530 I534 V564 F565 F566	F416-L467 HydrophobicContact CD1-CB 4.31Å; F416-L467 HydrophobicContact CD1-CD2 3.86Å; F416-L467 HydrophobicContact CE1-CB 4.17Å; F416-L467 HydrophobicContact CE1-CD2 4.27Å; F416-P468 HydrophobicContact CD1-CG 4.47Å; F416-P468 HydrophobicContact CD2-CG 4.02Å; F416-P468 VanDerWaalsContact CE1-CD 3.49Å; F416-P468 HydrophobicContact CE1-CG 4.1Å; F416-P468 HydrophobicContact CE2-CG 3.6Å; F416-P468 HydrophobicContact CG-CG 4.43Å; F416-P468 HydrophobicContact CZ-CG 3.63Å; F416-L470 HydrophobicContact CZ-CD2 4.42Å; F416-W521 AromaticContact CE1-CH2 3.98Å; F416-W521 HydrophobicContact CE1-CH2 3.98Å; F416-W521 HydrophobicContact CE1-CZ2 4.06Å; F416-W521 HydrophobicContact CZ-CH2 4.45Å; F416-W521 HydrophobicContact CZ-CZ2 4.43Å; F416-F530 HydrophobicContact CE1-CE1 4.45Å; F416-F530 HydrophobicContact CE2-CZ 4.4Å; F416-F530 AromaticContact CZ-CE1 3.85Å; F416-F530 HydrophobicContact CZ-CE1 3.85Å; F416-F530 AromaticContact CZ-CZ 3.78Å; F416-F530 HydrophobicContact CZ-CZ 3.78Å; F416-I534 HydrophobicContact CD1-CD1 3.84Å; F416-I534 HydrophobicContact CD1-CG1 4.45Å; F416-I534 HydrophobicContact CD1-CG2 4Å; F416-I534 HydrophobicContact CE1-CB 4.48Å; F416-I534 HydrophobicContact CE1-CD1 3.41Å; F416-I534 VanDerWaalsContact CE1-CD1 3.41Å; F416-I534 HydrophobicContact CE1-CG1 3.76Å; F416-I534 HydrophobicContact CE1-CG2 3.85Å; F416-I534 HydrophobicContact CE2-CD1 4.23Å; F416-I534 HydrophobicContact CG-CD1 4.41Å; F416-I534 HydrophobicContact CZ-CD1 3.64Å; F416-I534 HydrophobicContact CZ-CG1 4.18Å; F416-V564 WeakPolarHBondContact O-CA 3.45Å; F416-F565 HydrophobicContact CB-CD1 4.14Å; F416-F565 HydrophobicContact CB-CE1 3.72Å; F416-F565 HydrophobicContact CB-CE2 4.3Å; F416-F565 HydrophobicContact CB-CZ 3.82Å; F416-F565 HydrophobicContact CD1-CE2 4.49Å; F416-F565 AromaticContact CD1-CZ 3.99Å; F416-F565 HydrophobicContact CD1-CZ 3.99Å; F416-F565 HydrophobicContact CG-CZ 4.38Å; F416-F565 WeakPolarHBondContact O-CD1 3.26Å; F416-F565 PolarHBondContact O-N 2.99Å; F416-F566 HydrophobicContact CB-CB 3.67Å; F416-F566 HydrophobicContact CD2-CB 3.9Å; F416-F566 AromaticContact CD2-CD1 3.9Å; F416-F566 HydrophobicContact CD2-CD1 3.9Å; F416-F566 HydrophobicContact CD2-CG 4.26Å; F416-F566 HydrophobicContact CE2-CD1 4Å; F416-F566 HydrophobicContact CG-CB 3.78Å; F416-F566 HydrophobicContact CG-CD1 4.49Å; F416-F566 HydrophobicContact CG-CG 4.43Å
417	V	85.2	Confident	64.3	Low	8 Å²	8	93 Å²	93	5%	0.048	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	143.6	-178.1	-64.9	0	0	0	0	112.5	R415 T465 Q466 D562 Y563 V564	R415-V417 HydrophobicContact CB-CG1 4.07Å; R415-V417 PolarHBondContact O-N 3.24Å; V417-T465 CarbonylContact O-C 3.52Å; V417-T465 VanDerWaalsContact O-CA 3.31Å; V417-T465 WeakPolarHBondContact O-CA 3.37Å; V417-T465 WeakPolarHBondContact O-CG2 3.23Å; V417-Q466 HydrophobicContact CG2-CB 3.85Å; V417-Q466 PolarHBondContact N-O 3.41Å; V417-Q466 PolarHBondContact O-N 3.36Å; V417-D562 HydrophobicContact CB-CB 4.15Å; V417-D562 HydrophobicContact CG1-CB 4.22Å; V417-Y563 CarbonylContact C-O 3.35Å; V417-Y563 VanDerWaalsContact CA-O 3.23Å; V417-Y563 WeakPolarHBondContact CA-O 3.17Å; V417-V564 HydrophobicContact CG1-CG2 3.98Å
418	V	87.2	Confident	65.7	Low	0 Å²	0	86 Å²	86	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	138.5	173.1	59.8	0	0	0	0	109.3	F463 Q464 T465 L538 T541 V542 M545 Y563 F565	V418-F463 HydrophobicContact CG2-CB 4.2Å; V418-F463 HydrophobicContact CG2-CD1 4Å; V418-Q464 CarbonylContact C-O 3.57Å; V418-Q464 WeakPolarHBondContact CA-O 3.24Å; V418-T465 HydrophobicContact CB-CG2 4.42Å; V418-L538 HydrophobicContact CB-CD1 3.98Å; V418-L538 HydrophobicContact CG1-CD1 4.41Å; V418-L538 HydrophobicContact CG2-CD1 4.01Å; V418-T541 HydrophobicContact CG1-CG2 4.26Å; V418-V542 HydrophobicContact CG2-CG2 4.19Å; V418-M545 HydrophobicContact CG1-CE 3.87Å; V418-M545 HydrophobicContact CG1-SD 4.38Å; V418-Y563 PolarHBondContact N-O 2.94Å; V418-Y563 WeakPolarHBondContact O-CB 3.2Å; V418-Y563 PolarHBondContact O-N 3.3Å; V418-F565 HydrophobicContact CB-CD1 4.11Å; V418-F565 HydrophobicContact CG1-CB 4.21Å; V418-F565 HydrophobicContact CG1-CD1 3.91Å; V418-F565 HydrophobicContact CG1-CG 4.4Å
419	R	87.2	Confident	66.9	Low	57 Å²	57	79.4 Å²	79.4	22%	0.215	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	144.7	-178.1	70.1	-164.9	-154	103.1	19.2	111	T421 F463 Q464 D560 T561 D562	R419-T421 HydrophobicContact CG-CG2 4.02Å; R419-F463 CarbonylContact O-C 3.54Å; R419-F463 WeakPolarHBondContact O-CA 3.48Å; R419-Q464 HydrophobicContact CG-CB 4.04Å; R419-Q464 PolarHBondContact N-O 3.37Å; R419-Q464 PolarHBondContact O-N 3.03Å; R419-D560 IonicContact CZ-OD1 2.66Å; R419-D560 PolarHBondContact NH1-O 2.91Å; R419-D560 VanDerWaalsContact NH1-O 3.13Å; R419-D560 IonicContact NH1-OD1 3.85Å; R419-D560 PolarHBondContact NH1-OD1 3.47Å; R419-D560 IonicContact NH2-OD1 2.9Å; R419-D560 PolarHBondContact NH2-OD1 2.88Å; R419-T561 WeakPolarHBondContact CA-O 3.48Å; R419-T561 WeakPolarHBondContact CB-O 3.44Å; R419-D562 WeakPolarHBondContact CD-OD1 3.03Å
420	I	88.3	Confident	68.1	Low	1 Å²	1	76.8 Å²	76.8	1%	0.005	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	127.8	170.9	-58.4	178.3	0	0	0	108.4	V423 V461 F463 I549 V557 L559 D560	I420-V423 HydrophobicContact CG2-CG2 4.44Å; I420-V461 HydrophobicContact CB-CG1 4.44Å; I420-V461 HydrophobicContact CD1-CG1 3.79Å; I420-V461 HydrophobicContact CG1-CG1 4Å; I420-V461 HydrophobicContact CG2-CG1 3.6Å; I420-F463 HydrophobicContact CD1-CE1 4.02Å; I420-F463 HydrophobicContact CD1-CZ 4.44Å; I420-F463 HydrophobicContact CG1-CD1 3.87Å; I420-F463 HydrophobicContact CG1-CE1 3.55Å; I420-F463 HydrophobicContact CG1-CZ 4.29Å; I420-I549 HydrophobicContact CD1-CD1 3.61Å; I420-V557 HydrophobicContact CD1-CB 4.1Å; I420-V557 HydrophobicContact CD1-CG1 3.53Å; I420-V557 HydrophobicContact CG1-CG1 4.28Å; I420-L559 HydrophobicContact CB-CD2 4.05Å; I420-L559 HydrophobicContact CG2-CD2 3.48Å; I420-L559 VanDerWaalsContact CG2-CD2 3.48Å; I420-D560 WeakPolarHBondContact O-CA 3.13Å; I420-D560 PolarHBondContact O-N 2.86Å
421	T	89.6	Confident	68.8	Low	41 Å²	41	77.9 Å²	77.9	25%	0.252	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	-26.3	-175.8	56	0	0	0	0	113.5	R419 T462 Q464	R419-T421 HydrophobicContact CG-CG2 4.02Å; T421-T462 PolarHBondContact N-O 3.43Å; T421-T462 PolarHBondContact OG1-O 3.43Å; T421-Q464 HydrophobicContact CG2-CB 3.55Å
422	S	88.9	Confident	68.6	Low	43 Å²	43	77.1 Å²	77.1	30%	0.301	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	155.6	171.3	66.9	0	0	0	0	111.4	T462	S422-T462 PolarHBondContact O-N 3.16Å; S422-T462 VanDerWaalsContact OG-CB 3.29Å; S422-T462 WeakPolarHBondContact OG-CB 3.32Å; S422-T462 PolarHBondContact OG-OG1 3.46Å
423	V	87.9	Confident	68.5	Low	41 Å²	41	76.1 Å²	76.1	25%	0.248	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.6	165.3	-179.4	0	0	0	0	106.3	I420 I459 Y460 F554 L559	I420-V423 HydrophobicContact CG2-CG2 4.44Å; V423-I459 HydrophobicContact CG1-CG2 3.54Å; V423-Y460 WeakPolarHBondContact CA-O 3.49Å; V423-F554 HydrophobicContact CB-CE1 4.25Å; V423-F554 HydrophobicContact CG1-CE1 3.7Å; V423-F554 HydrophobicContact CG1-CE2 4.48Å; V423-F554 HydrophobicContact CG1-CZ 3.65Å; V423-F554 HydrophobicContact CG2-CD1 3.92Å; V423-F554 HydrophobicContact CG2-CE1 3.52Å; V423-F554 HydrophobicContact CG2-CZ 4.35Å; V423-L559 HydrophobicContact CG2-CD2 4.2Å
424	T	84.9	Confident	67.9	Low	50 Å²	50	70.6 Å²	70.6	31%	0.307	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	137.9	-177.4	61.3	0	0	0	0	110	Y460	T424-Y460 PolarHBondContact N-O 3.28Å; T424-Y460 PolarHBondContact O-N 3.47Å; T424-Y460 PolarHBondContact OG1-O 2.86Å
425	H	79.8	Confident	66.8	Low	127 Å²	127	72.5 Å²	72.5	59%	0.588	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	123.7	175.5	-62.1	-102.4	0	0	0	108
426	R	70.3	Confident	65.4	Low	157 Å²	157	73.2 Å²	73.2	59%	0.592	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123	122	176.7	-68	-172.1	177.3	-157.4	0.6	109.7	R458 Y460	R426-R458 PolarHBondContact N-O 2.88Å; R426-R458 PolarHBondContact O-N 3.32Å; R426-R458 VanDerWaalsContact O-O 3.11Å; R426-Y460 HydrophobicContact CB-CD2 3.94Å; R426-Y460 HydrophobicContact CB-CE2 3.9Å; R426-Y460 HydrophobicContact CG-CD2 4.05Å; R426-Y460 HydrophobicContact CG-CE2 4.34Å
427	C	61.1	Low	63.2	Low	26 Å²	26	79 Å²	79	18%	0.176	43%	0.428	C	S	.	.			trans	-88.3	142	170.3	159.9	0	0	0	0	110.7	C429 H430 C452 S455	C427-C429 HydrophobicContact CB-CB 4.48Å; C427-C429 WeakPolarHBondContact CB-SG 3.44Å; C427-C429 PolarHBondContact O-N 3.45Å; C427-C429 WeakPolarHBondContact SG-CB 3.07Å; C427-C429 PolarHBondContact SG-N 2.99Å; C427-C429 VanDerWaalsContact SG-N 3.36Å; C427-C429 CovalentContact SG-SG 2.04Å; C427-C429 PolarHBondContact SG-SG 2.9Å; C427-H430 PolarHBondContact O-N 2.9Å; C427-C452 PolarHBondContact SG-SG 2.89Å; C427-S455 PolarHBondContact SG-OG 3.07Å
428	S	57.5	Low	60.9	Low	73 Å²	73	88.8 Å²	88.8	51%	0.51	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-26	-179.8	-50.3	0	0	0	0	113.7	H430	S428-H430 PolarHBondContact O-N 3.09Å; S428-H430 VanDerWaalsContact O-N 3.13Å
429	C	51.3	Low	58.5	Low	41 Å²	41	94.9 Å²	94.9	28%	0.277	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-15.5	175.4	55.7	0	0	0	0	117.2	C427 S431 C447 C452	C427-C429 HydrophobicContact CB-CB 4.48Å; C427-C429 WeakPolarHBondContact CB-SG 3.44Å; C427-C429 PolarHBondContact O-N 3.45Å; C427-C429 WeakPolarHBondContact SG-CB 3.07Å; C427-C429 PolarHBondContact SG-N 2.99Å; C427-C429 VanDerWaalsContact SG-N 3.36Å; C427-C429 CovalentContact SG-SG 2.04Å; C427-C429 PolarHBondContact SG-SG 2.9Å; C429-S431 VanDerWaalsContact C-N 3.31Å; C429-S431 PolarHBondContact O-N 3.12Å; C429-C447 VanDerWaalsContact CB-SG 3.58Å; C429-C447 PolarHBondContact SG-SG 3.4Å; C429-C452 HydrophobicContact CB-CB 4.19Å; C429-C452 VanDerWaalsContact CB-SG 3.5Å; C429-C452 PolarHBondContact SG-SG 3.32Å
430	H	49.6	Very low	56.1	Low	170 Å²	170	98.8 Å²	98.8	79%	0.787	53%	0.532	S	S	*	.			trans	-78.4	81.6	-178.8	-103.6	-58.4	0	0	0	111.2	C427 S428	C427-H430 PolarHBondContact O-N 2.9Å; S428-H430 PolarHBondContact O-N 3.09Å; S428-H430 VanDerWaalsContact O-N 3.13Å
431	S	41.1	Very low	53.4	Low	90 Å²	90	104.7 Å²	104.7	63%	0.629	56%	0.563	S	S	*	*			trans	-58	150.6	164.5	59.4	0	0	0	0	110.9	C429 T433	C429-S431 VanDerWaalsContact C-N 3.31Å; C429-S431 PolarHBondContact O-N 3.12Å; S431-T433 PolarHBondContact O-N 3.34Å
432	S	34.2	Very low	50.9	Low	122 Å²	122	107.9 Å²	107.9	85%	0.853	59%	0.587	S	S	*	*	S	Bend	trans	-81.8	36.5	-159.1	45.4	0	0	0	0	115.4
433	T	37.8	Very low	48.5	Very low	107 Å²	107	115.3 Å²	115.3	66%	0.656	61%	0.614	S	S	*	*			trans	-112.1	104.2	177.2	49.7	0	0	0	0	111.8	S431 N435	S431-T433 PolarHBondContact O-N 3.34Å; T433-N435 VanDerWaalsContact C-N 3.31Å; T433-N435 PolarHBondContact O-N 3.37Å
434	P	35.2	Very low	46.1	Very low	68 Å²	68	117.6 Å²	117.6	44%	0.442	63%	0.632	S	S	.	*			trans	-74.8	84.3	174.8	31	-33.8	0	0	0	110.1	R436	P434-R436 PolarHBondContact O-N 2.99Å
435	N	34.7	Very low	44.1	Very low	137 Å²	137	123.1 Å²	123.1	73%	0.733	66%	0.659	S	S	*	*			trans	-64.8	105.7	179.3	-168	-16.8	0	0	0	110.1	T433 N437	T433-N435 VanDerWaalsContact C-N 3.31Å; T433-N435 PolarHBondContact O-N 3.37Å; N435-N437 PolarHBondContact O-N 3.41Å; N435-N437 VanDerWaalsContact O-N 3.11Å
436	R	38.2	Very low	42.5	Very low	156 Å²	156	124.7 Å²	124.7	59%	0.589	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-1	-157.6	-138.2	-179.2	-164.5	173.6	6.2	115.2	P434 S670 L671	P434-R436 PolarHBondContact O-N 2.99Å; R436-S670 PolarHBondContact NE-OG 2.72Å; R436-S670 PolarHBondContact NH2-OG 3.28Å; R436-L671 HydrophobicContact CG-CD1 4.43Å
437	N	37.5	Very low	41.5	Very low	144 Å²	144	120 Å²	120	77%	0.77	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.1	26.1	-161.3	-66.4	4.4	0	0	0	114.6	N435	N435-N437 PolarHBondContact O-N 3.41Å; N435-N437 VanDerWaalsContact O-N 3.11Å
438	R	36.3	Very low	41	Very low	213 Å²	213	126.5 Å²	126.5	80%	0.804	69%	0.685	S	S	*	*			trans	-117.6	118	169.2	-80.1	-170.7	173.5	179.6	-1.6	112.2
439	T	36.3	Very low	40.7	Very low	128 Å²	128	124.9 Å²	124.9	79%	0.785	68%	0.68	S	S	*	*			trans	-49.6	135.6	161.1	27.5	0	0	0	0	110.5	D441	T439-D441 PolarHBondContact O-N 3.32Å
440	T	38.2	Very low	40.7	Very low	140 Å²	140	132.2 Å²	132.2	86%	0.859	71%	0.707	S	S	*	*			trans	-82.8	79.3	-174.6	52.6	0	0	0	0	111.7	S442	T440-S442 PolarHBondContact O-N 3.24Å
441	D	31.7	Very low	40.7	Very low	124 Å²	124	132.3 Å²	132.3	66%	0.663	71%	0.708	S	S	*	*			trans	-65.4	122.5	167.4	-86.6	-46.7	0	0	0	110.8	T439 K443 S444	T439-D441 PolarHBondContact O-N 3.32Å; D441-K443 PolarHBondContact O-N 3.05Å; D441-S444 PolarHBondContact O-N 3.21Å
442	S	35.9	Very low	41.3	Very low	109 Å²	109	128.8 Å²	128.8	76%	0.762	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	22.9	-171.3	49.3	0	0	0	0	115.3	T440	T440-S442 PolarHBondContact O-N 3.24Å
443	K	38.7	Very low	42	Very low	199 Å²	199	131.5 Å²	131.5	87%	0.865	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	-12	174.4	-71	-178.7	177.2	175.6	0	113.9	D441 N445	D441-K443 PolarHBondContact O-N 3.05Å; K443-N445 VanDerWaalsContact C-N 3.25Å; K443-N445 PolarHBondContact O-N 2.88Å
444	S	37.5	Very low	42.5	Very low	88 Å²	88	134.6 Å²	134.6	62%	0.615	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	43.7	-172.6	74.3	0	0	0	0	115.7	D441 Q446	D441-S444 PolarHBondContact O-N 3.21Å; S444-Q446 VanDerWaalsContact C-N 3.3Å
445	N	42.8	Very low	43.3	Very low	167 Å²	167	132.9 Å²	132.9	89%	0.893	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-10	169.9	-82.9	-10.6	0	0	0	113.1	K443	K443-N445 VanDerWaalsContact C-N 3.25Å; K443-N445 PolarHBondContact O-N 2.88Å
446	Q	47.3	Very low	44.3	Very low	159 Å²	159	134.3 Å²	134.3	74%	0.743	68%	0.678	S	S	*	*	S	Bend	trans	-87.1	121.8	161.5	-75.6	-177.5	-10.1	0	0	109.4	S444 Q448	S444-Q446 VanDerWaalsContact C-N 3.3Å; Q446-Q448 PolarHBondContact O-N 2.85Å
447	C	49.7	Very low	45.3	Very low	58 Å²	58	130.3 Å²	130.3	39%	0.392	67%	0.672	S	S	.	*			trans	-67	125	162.8	160.1	0	0	0	0	109.7	C429 C452	C429-C447 VanDerWaalsContact CB-SG 3.58Å; C429-C447 PolarHBondContact SG-SG 3.4Å; C447-C452 HydrophobicContact CB-CB 4.21Å; C447-C452 WeakPolarHBondContact CB-SG 3.11Å; C447-C452 WeakPolarHBondContact SG-CB 3.25Å; C447-C452 CovalentContact SG-SG 2.02Å; C447-C452 PolarHBondContact SG-SG 3.11Å
448	Q	49.6	Very low	47.2	Very low	164 Å²	164	130.7 Å²	130.7	77%	0.766	66%	0.663	S	S	*	*			trans	-95.7	2.4	-172.3	-65.8	-177.4	-20.6	0	0	114.6	Q446	Q446-Q448 PolarHBondContact O-N 2.85Å
449	G	51.5	Low	49.5	Very low	38 Å²	38	122.7 Å²	122.7	39%	0.392	64%	0.635	S	S	.	*			trans	-64.1	140.5	174.9	0	0	0	0	0	111.4	E451 C452	G449-E451 PolarHBondContact O-N 3Å; G449-C452 WeakPolarHBondContact O-CB 3.28Å; G449-C452 PolarHBondContact O-N 3.27Å; G449-C452 VanDerWaalsContact O-N 3.11Å
450	K	51.9	Low	52	Low	195 Å²	195	119.2 Å²	119.2	85%	0.848	61%	0.608	S	S	*	*	S	Bend	trans	-63.8	-42.7	179.4	-70.6	-178.1	178.5	178	0	111.8	C452 K453	K450-C452 PolarHBondContact O-N 3.37Å; K450-K453 PolarHBondContact O-N 2.91Å
451	E	49.6	Very low	54.5	Low	173 Å²	173	112.5 Å²	112.5	81%	0.808	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-56.3	-27.3	172.6	-62.7	161.8	-171.1	0	0	113.3	G449 K453 H454	G449-E451 PolarHBondContact O-N 3Å; E451-K453 PolarHBondContact O-N 3.31Å; E451-H454 PolarHBondContact O-N 2.87Å
452	C	52.9	Low	57.4	Low	15 Å²	15	107.2 Å²	107.2	10%	0.101	54%	0.539	C	S	.	.	G	3₁₀ helix	trans	-66.9	-22.9	-172.2	-157	0	0	0	0	113.9	C427 C429 C447 G449 K450 H454 S455	C427-C452 PolarHBondContact SG-SG 2.89Å; C429-C452 HydrophobicContact CB-CB 4.19Å; C429-C452 VanDerWaalsContact CB-SG 3.5Å; C429-C452 PolarHBondContact SG-SG 3.32Å; C447-C452 HydrophobicContact CB-CB 4.21Å; C447-C452 WeakPolarHBondContact CB-SG 3.11Å; C447-C452 WeakPolarHBondContact SG-CB 3.25Å; C447-C452 CovalentContact SG-SG 2.02Å; C447-C452 PolarHBondContact SG-SG 3.11Å; G449-C452 WeakPolarHBondContact O-CB 3.28Å; G449-C452 PolarHBondContact O-N 3.27Å; G449-C452 VanDerWaalsContact O-N 3.11Å; K450-C452 PolarHBondContact O-N 3.37Å; C452-H454 PolarHBondContact O-N 3.25Å; C452-H454 VanDerWaalsContact O-N 3.09Å; C452-S455 PolarHBondContact O-N 2.9Å; C452-S455 PolarHBondContact O-OG 2.78Å
453	K	48.7	Very low	60.1	Low	179 Å²	179	102 Å²	102	78%	0.778	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-64.4	-11.7	-178.5	-68.2	-173	174.4	-173.6	0	114.2	K450 E451	K450-K453 PolarHBondContact O-N 2.91Å; E451-K453 PolarHBondContact O-N 3.31Å
454	H	47.9	Very low	62.6	Low	173 Å²	173	94.9 Å²	94.9	80%	0.801	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-116.5	-1.5	-179.1	-55	-52.9	0	0	0	113.7	E451 C452	E451-H454 PolarHBondContact O-N 2.87Å; C452-H454 PolarHBondContact O-N 3.25Å; C452-H454 VanDerWaalsContact O-N 3.09Å
455	S	52.4	Low	65.1	Low	31 Å²	31	90.7 Å²	90.7	22%	0.217	44%	0.443	C	S	.	.	S	Bend	trans	-102.1	108.1	176.8	64.9	0	0	0	0	111.5	C427 C452	C427-S455 PolarHBondContact SG-OG 3.07Å; C452-S455 PolarHBondContact O-N 2.9Å; C452-S455 PolarHBondContact O-OG 2.78Å
456	E	54.7	Low	67.1	Low	167 Å²	167	83.8 Å²	83.8	78%	0.78	41%	0.406	S	S	*	.			trans	-58.1	134.6	175.9	-168.5	-176.7	-164.9	0	0	111.5	R458	E456-R458 PolarHBondContact O-N 3.24Å
457	P	60.3	Low	69.1	Low	72 Å²	72	76.3 Å²	76.3	47%	0.468	37%	0.371	S	S	.	.			trans	-71.6	99.6	-178.4	28.6	-35.3	0	0	0	111.4	I459	P457-I459 PolarHBondContact O-N 3.08Å; P457-I459 VanDerWaalsContact O-N 3.12Å
458	R	77.5	Confident	70.6	Confident	153 Å²	153	74.1 Å²	74.1	58%	0.577	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58	115.3	175.9	-65.7	-179	177.3	-178.1	-0.4	110.6	R426 E456 Y460	R426-R458 PolarHBondContact N-O 2.88Å; R426-R458 PolarHBondContact O-N 3.32Å; R426-R458 VanDerWaalsContact O-O 3.11Å; E456-R458 PolarHBondContact O-N 3.24Å; R458-Y460 HydrophobicContact CB-CD2 4.36Å; R458-Y460 HydrophobicContact CB-CE2 3.74Å; R458-Y460 WeakPolarHBondContact O-CD2 3.33Å
459	I	84.7	Confident	71.9	Confident	44 Å²	44	68 Å²	68	23%	0.226	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	134.2	175	-45.5	-176.1	0	0	0	108.5	V423 P457 P498 L499 F554	V423-I459 HydrophobicContact CG1-CG2 3.54Å; P457-I459 PolarHBondContact O-N 3.08Å; P457-I459 VanDerWaalsContact O-N 3.12Å; I459-P498 CarbonylContact O-C 3.57Å; I459-P498 WeakPolarHBondContact O-CA 3.24Å; I459-L499 HydrophobicContact CB-CB 3.96Å; I459-L499 HydrophobicContact CB-CD2 4.1Å; I459-L499 HydrophobicContact CD1-CD2 3.96Å; I459-L499 HydrophobicContact CG1-CD2 4.48Å; I459-L499 HydrophobicContact CG2-CB 4.45Å; I459-L499 HydrophobicContact CG2-CD2 4.35Å; I459-L499 PolarHBondContact O-N 3.04Å; I459-F554 HydrophobicContact CG2-CZ 4.02Å
460	Y	89.2	Confident	72.8	Confident	55 Å²	55	67.7 Å²	67.7	22%	0.216	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	128.8	177.1	-75.4	-99.5	0	0	0	110.1	V423 T424 R426 R458 C497 P498	V423-Y460 WeakPolarHBondContact CA-O 3.49Å; T424-Y460 PolarHBondContact N-O 3.28Å; T424-Y460 PolarHBondContact O-N 3.47Å; T424-Y460 PolarHBondContact OG1-O 2.86Å; R426-Y460 HydrophobicContact CB-CD2 3.94Å; R426-Y460 HydrophobicContact CB-CE2 3.9Å; R426-Y460 HydrophobicContact CG-CD2 4.05Å; R426-Y460 HydrophobicContact CG-CE2 4.34Å; R458-Y460 HydrophobicContact CB-CD2 4.36Å; R458-Y460 HydrophobicContact CB-CE2 3.74Å; R458-Y460 WeakPolarHBondContact O-CD2 3.33Å; Y460-C497 CarbonylContact C-O 3.58Å; Y460-C497 WeakPolarHBondContact CA-O 3.35Å; Y460-P498 HydrophobicContact CD1-CG 4.19Å; Y460-P498 HydrophobicContact CE1-CB 4.31Å; Y460-P498 HydrophobicContact CE1-CG 3.69Å
461	V	90.2	Very high	73.2	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	124.1	178.9	-174.7	0	0	0	0	108.6	I420 F463 S496 C497 L499 L546 F554	I420-V461 HydrophobicContact CB-CG1 4.44Å; I420-V461 HydrophobicContact CD1-CG1 3.79Å; I420-V461 HydrophobicContact CG1-CG1 4Å; I420-V461 HydrophobicContact CG2-CG1 3.6Å; V461-F463 HydrophobicContact CB-CE2 3.79Å; V461-F463 HydrophobicContact CB-CZ 4.04Å; V461-F463 HydrophobicContact CG1-CD2 4.37Å; V461-F463 HydrophobicContact CG1-CE1 4.16Å; V461-F463 HydrophobicContact CG1-CE2 3.61Å; V461-F463 HydrophobicContact CG1-CZ 3.48Å; V461-F463 VanDerWaalsContact CG1-CZ 3.48Å; V461-F463 WeakPolarHBondContact O-CD2 3.4Å; V461-F463 WeakPolarHBondContact O-CE2 3.41Å; V461-S496 CarbonylContact O-C 3.45Å; V461-S496 WeakPolarHBondContact O-CA 3.45Å; V461-C497 PolarHBondContact N-O 2.89Å; V461-C497 PolarHBondContact O-N 3.3Å; V461-L499 HydrophobicContact CG2-CD1 4.19Å; V461-L546 HydrophobicContact CB-CD2 3.97Å; V461-L546 HydrophobicContact CG1-CD2 4.47Å; V461-L546 HydrophobicContact CG2-CD2 3.86Å; V461-F554 HydrophobicContact CG2-CE1 4.25Å
462	T	92.6	Very high	73.3	Confident	12 Å²	12	54.7 Å²	54.7	7%	0.074	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	117	-176.8	-54.2	0	0	0	0	110.7	T421 S422 F495 S496	T421-T462 PolarHBondContact N-O 3.43Å; T421-T462 PolarHBondContact OG1-O 3.43Å; S422-T462 PolarHBondContact O-N 3.16Å; S422-T462 VanDerWaalsContact OG-CB 3.29Å; S422-T462 WeakPolarHBondContact OG-CB 3.32Å; S422-T462 PolarHBondContact OG-OG1 3.46Å; T462-F495 CarbonylContact C-O 3.6Å; T462-F495 WeakPolarHBondContact CA-O 3.43Å; T462-S496 WeakPolarHBondContact CG2-OG 3.44Å; T462-S496 PolarHBondContact OG1-OG 3.03Å
463	F	92.7	Very high	73.2	Confident	1 Å²	1	58.2 Å²	58.2	0%	0.004	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	144.6	179.9	-60.5	-91	0	0	0	110.6	V418 R419 I420 V461 G494 F495 C497 V542 M545 L546	V418-F463 HydrophobicContact CG2-CB 4.2Å; V418-F463 HydrophobicContact CG2-CD1 4Å; R419-F463 CarbonylContact O-C 3.54Å; R419-F463 WeakPolarHBondContact O-CA 3.48Å; I420-F463 HydrophobicContact CD1-CE1 4.02Å; I420-F463 HydrophobicContact CD1-CZ 4.44Å; I420-F463 HydrophobicContact CG1-CD1 3.87Å; I420-F463 HydrophobicContact CG1-CE1 3.55Å; I420-F463 HydrophobicContact CG1-CZ 4.29Å; V461-F463 HydrophobicContact CB-CE2 3.79Å; V461-F463 HydrophobicContact CB-CZ 4.04Å; V461-F463 HydrophobicContact CG1-CD2 4.37Å; V461-F463 HydrophobicContact CG1-CE1 4.16Å; V461-F463 HydrophobicContact CG1-CE2 3.61Å; V461-F463 HydrophobicContact CG1-CZ 3.48Å; V461-F463 VanDerWaalsContact CG1-CZ 3.48Å; V461-F463 WeakPolarHBondContact O-CD2 3.4Å; V461-F463 WeakPolarHBondContact O-CE2 3.41Å; F463-G494 WeakPolarHBondContact O-CA 3.4Å; F463-F495 HydrophobicContact CB-CD2 4.04Å; F463-F495 HydrophobicContact CB-CE1 4.26Å; F463-F495 HydrophobicContact CB-CE2 3.56Å; F463-F495 HydrophobicContact CB-CZ 3.68Å; F463-F495 HydrophobicContact CD2-CD2 4.17Å; F463-F495 AromaticContact CD2-CE2 3.8Å; F463-F495 HydrophobicContact CD2-CE2 3.8Å; F463-F495 HydrophobicContact CG-CD2 4.48Å; F463-F495 AromaticContact CG-CE2 3.85Å; F463-F495 HydrophobicContact CG-CE2 3.85Å; F463-F495 HydrophobicContact CG-CZ 4.29Å; F463-F495 PolarHBondContact N-O 3.28Å; F463-F495 PolarHBondContact O-N 3.45Å; F463-C497 HydrophobicContact CE2-CB 4.06Å; F463-V542 HydrophobicContact CD1-CG1 4.34Å; F463-V542 HydrophobicContact CD1-CG2 4.16Å; F463-V542 HydrophobicContact CD2-CG1 4.05Å; F463-V542 HydrophobicContact CE1-CG1 3.95Å; F463-V542 HydrophobicContact CE1-CG2 4.36Å; F463-V542 HydrophobicContact CE2-CG1 3.66Å; F463-V542 HydrophobicContact CG-CG1 4.39Å; F463-V542 HydrophobicContact CG-CG2 4.4Å; F463-V542 HydrophobicContact CZ-CG1 3.61Å; F463-M545 HydrophobicContact CD1-SD 4.26Å; F463-M545 HydrophobicContact CE1-CB 4.33Å; F463-M545 HydrophobicContact CE1-SD 3.76Å; F463-L546 HydrophobicContact CE2-CD2 4.09Å; F463-L546 HydrophobicContact CE2-CG 4.46Å; F463-L546 HydrophobicContact CZ-CD2 3.82Å; F463-L546 HydrophobicContact CZ-CG 4.06Å
464	Q	91.3	Very high	73	Confident	48 Å²	48	53.6 Å²	53.6	22%	0.224	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131.3	164.4	-177.5	-176.6	6.2	0	0	108.4	V418 R419 T421 L493	V418-Q464 CarbonylContact C-O 3.57Å; V418-Q464 WeakPolarHBondContact CA-O 3.24Å; R419-Q464 HydrophobicContact CG-CB 4.04Å; R419-Q464 PolarHBondContact N-O 3.37Å; R419-Q464 PolarHBondContact O-N 3.03Å; T421-Q464 HydrophobicContact CG2-CB 3.55Å; Q464-L493 WeakPolarHBondContact CA-O 3.44Å
465	T	89.2	Confident	72.7	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	142.7	178.9	-53	0	0	0	0	110	V417 V418 L467 R492 L493 F495 L538 F565	V417-T465 CarbonylContact O-C 3.52Å; V417-T465 VanDerWaalsContact O-CA 3.31Å; V417-T465 WeakPolarHBondContact O-CA 3.37Å; V417-T465 WeakPolarHBondContact O-CG2 3.23Å; V418-T465 HydrophobicContact CB-CG2 4.42Å; T465-L467 HydrophobicContact CG2-CD2 3.78Å; T465-R492 WeakPolarHBondContact O-CA 3.44Å; T465-L493 PolarHBondContact N-O 2.88Å; T465-L493 PolarHBondContact O-N 3.36Å; T465-F495 WeakPolarHBondContact OG1-CE1 3.31Å; T465-L538 HydrophobicContact CG2-CD1 3.76Å; T465-L538 HydrophobicContact CG2-CD2 4.01Å; T465-L538 WeakPolarHBondContact OG1-CD1 3.36Å; T465-F565 HydrophobicContact CG2-CE1 3.59Å; T465-F565 HydrophobicContact CG2-CZ 3.93Å
466	Q	86.2	Confident	72.2	Confident	23 Å²	23	52.6 Å²	52.6	11%	0.107	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.6	171.5	-179	176.1	-82.2	0	0	109.3	H412 V417 L491 R492	H412-Q466 PolarHBondContact O-NE2 3.27Å; V417-Q466 HydrophobicContact CG2-CB 3.85Å; V417-Q466 PolarHBondContact N-O 3.41Å; V417-Q466 PolarHBondContact O-N 3.36Å; Q466-L491 WeakPolarHBondContact CA-O 3.44Å; Q466-R492 HydrophobicContact CB-CG 4.25Å; Q466-R492 HydrophobicContact CG-CG 4.13Å
467	L	87.4	Confident	71.6	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.005	29%	0.29	C	S	.	.			trans	-104.4	141.7	172.7	-40.2	-177.5	0	0	0	108.4	F416 T465 G490 L491 L493 F518 W521 I534 F565	F416-L467 HydrophobicContact CD1-CB 4.31Å; F416-L467 HydrophobicContact CD1-CD2 3.86Å; F416-L467 HydrophobicContact CE1-CB 4.17Å; F416-L467 HydrophobicContact CE1-CD2 4.27Å; T465-L467 HydrophobicContact CG2-CD2 3.78Å; L467-G490 CarbonylContact O-C 3.58Å; L467-G490 WeakPolarHBondContact O-CA 3.47Å; L467-L491 HydrophobicContact CB-CB 4.25Å; L467-L491 HydrophobicContact CD1-CB 4.11Å; L467-L491 HydrophobicContact CD1-CD2 4.04Å; L467-L491 HydrophobicContact CD1-CG 4.49Å; L467-L491 HydrophobicContact CG-CB 4.27Å; L467-L491 PolarHBondContact N-O 2.88Å; L467-L491 PolarHBondContact O-N 2.84Å; L467-L491 VanDerWaalsContact O-N 3.12Å; L467-L493 HydrophobicContact CD1-CD1 4.26Å; L467-L493 HydrophobicContact CG-CD1 4.42Å; L467-F518 HydrophobicContact CD1-CD1 4.47Å; L467-F518 HydrophobicContact CD1-CE1 3.82Å; L467-W521 HydrophobicContact CB-CH2 4.17Å; L467-W521 HydrophobicContact CB-CZ2 3.49Å; L467-W521 VanDerWaalsContact CB-CZ2 3.49Å; L467-W521 HydrophobicContact CD1-CD2 4.34Å; L467-W521 HydrophobicContact CD1-CE3 4.26Å; L467-W521 HydrophobicContact CD1-CH2 3.7Å; L467-W521 HydrophobicContact CD1-CZ2 3.78Å; L467-W521 HydrophobicContact CD1-CZ3 3.95Å; L467-W521 HydrophobicContact CG-CZ2 4.27Å; L467-I534 HydrophobicContact CD1-CG2 4.19Å; L467-I534 HydrophobicContact CD2-CG2 3.87Å; L467-F565 HydrophobicContact CD2-CE1 4.41Å; L467-F565 HydrophobicContact CD2-CZ 3.82Å
468	P	81.9	Confident	70.9	Confident	13 Å²	13	59.1 Å²	59.1	8%	0.084	30%	0.302	C	S	.	.			trans	-69.2	166.3	177.9	30.8	-35.3	0	0	0	112.1	R413 F416 W521	R413-P468 WeakPolarHBondContact O-CA 3.41Å; R413-P468 VanDerWaalsContact O-CB 3.29Å; R413-P468 WeakPolarHBondContact O-CB 3.26Å; F416-P468 HydrophobicContact CD1-CG 4.47Å; F416-P468 HydrophobicContact CD2-CG 4.02Å; F416-P468 VanDerWaalsContact CE1-CD 3.49Å; F416-P468 HydrophobicContact CE1-CG 4.1Å; F416-P468 HydrophobicContact CE2-CG 3.6Å; F416-P468 HydrophobicContact CG-CG 4.43Å; F416-P468 HydrophobicContact CZ-CG 3.63Å; P468-W521 PolarHBondContact O-NE1 3.03Å
469	S	76.5	Confident	69.2	Low	34 Å²	34	58.5 Å²	58.5	24%	0.238	31%	0.305	C	S	.	.			trans	-75.1	132.4	169.2	-165.9	0	0	0	0	109.6	S471	S469-S471 PolarHBondContact OG-OG 3.12Å
470	L	70.8	Confident	66.7	Low	33 Å²	33	59.4 Å²	59.4	17%	0.173	33%	0.325	C	S	.	.			trans	-91.3	-14.4	-175.8	-57.4	-175.7	0	0	0	113.9	F416 S472 W521 F530	F416-L470 HydrophobicContact CZ-CD2 4.42Å; L470-S472 PolarHBondContact O-N 3.48Å; L470-W521 HydrophobicContact CD1-CD2 3.99Å; L470-W521 HydrophobicContact CD1-CE3 4.08Å; L470-W521 HydrophobicContact CD1-CH2 3.77Å; L470-W521 HydrophobicContact CD1-CZ2 3.66Å; L470-W521 HydrophobicContact CD1-CZ3 3.98Å; L470-W521 HydrophobicContact CD2-CH2 4.23Å; L470-W521 HydrophobicContact CD2-CZ2 3.67Å; L470-W521 HydrophobicContact CG-CD2 4.32Å; L470-W521 HydrophobicContact CG-CH2 4.23Å; L470-W521 HydrophobicContact CG-CZ2 3.62Å; L470-F530 HydrophobicContact CD1-CD1 3.72Å; L470-F530 HydrophobicContact CD1-CE1 3.85Å; L470-F530 HydrophobicContact CD2-CD1 4.46Å; L470-F530 HydrophobicContact CD2-CE1 3.75Å; L470-F530 HydrophobicContact CG-CE1 4.47Å
471	S	61.5	Low	64.1	Low	36 Å²	36	67.7 Å²	67.7	25%	0.252	36%	0.356	S	S	.	.	S	Bend	trans	-72.6	124.1	-178.8	53.6	0	0	0	0	111.4	S469 L488 A524	S469-S471 PolarHBondContact OG-OG 3.12Å; S471-L488 VanDerWaalsContact OG-CD2 3.24Å; S471-L488 WeakPolarHBondContact OG-CD2 3.35Å; S471-A524 WeakPolarHBondContact CA-O 3.49Å; S471-A524 WeakPolarHBondContact CB-O 3.44Å
472	S	51.8	Low	61.5	Low	58 Å²	58	76.4 Å²	76.4	41%	0.406	40%	0.396	S	S	.	.			trans	-59.8	135.2	177.3	177.2	0	0	0	0	112.1	L470 D474 N475	L470-S472 PolarHBondContact O-N 3.48Å; S472-D474 PolarHBondContact O-N 3.38Å; S472-D474 VanDerWaalsContact O-N 3.16Å; S472-D474 PolarHBondContact OG-N 3.41Å; S472-N475 PolarHBondContact O-N 3.4Å
473	P	50.6	Low	58.7	Low	89 Å²	89	79.2 Å²	79.2	58%	0.578	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.2	178.2	26.2	-35.2	0	0	0	113.6	N475 A476	P473-N475 VanDerWaalsContact C-N 3.28Å; P473-N475 PolarHBondContact O-N 3.06Å; P473-A476 PolarHBondContact O-N 3.38Å
474	D	44.2	Very low	56	Low	82 Å²	82	87.3 Å²	87.3	44%	0.439	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-23.6	177.7	-76.4	-38.3	0	0	0	113.4	S472 A476 R477 K478	S472-D474 PolarHBondContact O-N 3.38Å; S472-D474 VanDerWaalsContact O-N 3.16Å; S472-D474 PolarHBondContact OG-N 3.41Å; D474-A476 VanDerWaalsContact C-N 3.26Å; D474-A476 PolarHBondContact O-N 3.16Å; D474-R477 PolarHBondContact O-N 3.24Å; D474-K478 PolarHBondContact O-N 3.43Å
475	N	42	Very low	53.4	Low	103 Å²	103	94 Å²	94	55%	0.551	49%	0.485	S	S	*	.	H	α-helix	trans	-67.6	-29.4	174.9	-76.9	-4.6	0	0	0	111.7	S472 P473 R477	S472-N475 PolarHBondContact O-N 3.4Å; P473-N475 VanDerWaalsContact C-N 3.28Å; P473-N475 PolarHBondContact O-N 3.06Å; N475-R477 PolarHBondContact O-N 3.17Å
476	A	41.5	Very low	51	Low	80 Å²	80	100.2 Å²	100.2	66%	0.661	52%	0.517	S	S	*	.	H	α-helix	trans	-72.3	-15.5	172.4	0	0	0	0	0	113.3	P473 D474	P473-A476 PolarHBondContact O-N 3.38Å; D474-A476 VanDerWaalsContact C-N 3.26Å; D474-A476 PolarHBondContact O-N 3.16Å
477	R	41.1	Very low	48.7	Very low	212 Å²	212	103.4 Å²	103.4	80%	0.8	54%	0.539	S	S	*	.	H	α-helix	trans	-94.4	-17.6	179.6	-87.1	-176.8	163	-173.4	-6.5	115	D474 N475	D474-R477 PolarHBondContact O-N 3.24Å; N475-R477 PolarHBondContact O-N 3.17Å
478	K	46.6	Very low	47	Very low	165 Å²	165	108.3 Å²	108.3	72%	0.717	57%	0.565	S	S	*	*	H	α-helix	trans	-77.1	-26.5	-177.9	-75.5	-177.5	177.3	176.7	0	114.1	D474 G480	D474-K478 PolarHBondContact O-N 3.43Å; K478-G480 PolarHBondContact O-N 3.4Å; K478-G480 VanDerWaalsContact O-N 3.12Å
479	H	40.6	Very low	45.8	Very low	139 Å²	139	112.3 Å²	112.3	64%	0.644	59%	0.59	S	S	*	*	S	Bend	trans	-85.3	80.4	174.4	-67.7	-75.9	0	0	0	110.7
480	G	33	Very low	45.6	Very low	64 Å²	64	112.3 Å²	112.3	66%	0.66	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	145.1	167.4	0	0	0	0	0	111.1	K478	K478-G480 PolarHBondContact O-N 3.4Å; K478-G480 VanDerWaalsContact O-N 3.12Å
481	R	35.2	Very low	46.2	Very low	229 Å²	229	111.7 Å²	111.7	86%	0.864	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.9	103.4	-169.6	-50.3	-174.6	-172.2	-139	3.1	114.1	S483	R481-S483 VanDerWaalsContact C-N 3.32Å; R481-S483 PolarHBondContact O-N 3.01Å
482	H	36	Very low	47.4	Very low	182 Å²	182	117.7 Å²	117.7	84%	0.843	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	53.3	22.3	152.9	-49	-70.6	0	0	0	119.8	H484	H482-H484 PolarHBondContact O-N 3.45Å; H482-H484 VanDerWaalsContact O-N 3.1Å
483	S	33	Very low	49.1	Very low	71 Å²	71	116 Å²	116	50%	0.497	60%	0.595	S	S	.	*			trans	-59.8	117.7	167.7	-170.1	0	0	0	0	110.2	R481	R481-S483 VanDerWaalsContact C-N 3.32Å; R481-S483 PolarHBondContact O-N 3.01Å
484	H	35.2	Very low	50.9	Low	171 Å²	171	114.7 Å²	114.7	79%	0.792	60%	0.598	S	S	*	*			trans	-58.1	149.9	179.6	-77.6	-94.1	0	0	0	111	H482 I486	H482-H484 PolarHBondContact O-N 3.45Å; H482-H484 VanDerWaalsContact O-N 3.1Å; H484-I486 VanDerWaalsContact C-N 3.32Å; H484-I486 PolarHBondContact O-N 2.89Å
485	H	37.3	Very low	53.1	Low	188 Å²	188	111.8 Å²	111.8	87%	0.87	58%	0.581	S	S	*	*			trans	-61.8	81.5	-171.5	-155.5	-45.4	0	0	0	112.6	P487	H485-P487 VanDerWaalsContact O-CD 3.31Å; H485-P487 WeakPolarHBondContact O-CD 3.3Å; H485-P487 VanDerWaalsContact O-N 3.12Å
486	I	38.6	Very low	55.4	Low	132 Å²	132	109.5 Å²	109.5	68%	0.677	57%	0.573	S	S	*	*			trans	-58.2	117.9	177	-58.3	-179.5	0	0	0	107.5	H484 L488	H484-I486 VanDerWaalsContact C-N 3.32Å; H484-I486 PolarHBondContact O-N 2.89Å; I486-L488 PolarHBondContact O-N 2.81Å
487	P	38.9	Very low	57.7	Low	89 Å²	89	105.9 Å²	105.9	58%	0.578	54%	0.543	S	S	*	.			trans	-70.2	127.3	179.1	27.6	-32	0	0	0	109.1	H485 T489	H485-P487 VanDerWaalsContact O-CD 3.31Å; H485-P487 WeakPolarHBondContact O-CD 3.3Å; H485-P487 VanDerWaalsContact O-N 3.12Å; P487-T489 HydrophobicContact CB-CG2 4.17Å; P487-T489 HydrophobicContact CG-CG2 4.09Å; P487-T489 PolarHBondContact O-N 3.39Å
488	L	49.9	Very low	59.9	Low	104 Å²	104	97.6 Å²	97.6	55%	0.545	52%	0.517	S	S	.	.			trans	-67.4	82.2	170.5	-67.1	171.6	0	0	0	109.2	S471 I486 G490	S471-L488 VanDerWaalsContact OG-CD2 3.24Å; S471-L488 WeakPolarHBondContact OG-CD2 3.35Å; I486-L488 PolarHBondContact O-N 2.81Å; L488-G490 PolarHBondContact O-N 3.11Å; L488-G490 VanDerWaalsContact O-N 3.12Å
489	T	57.5	Low	61.9	Low	98 Å²	98	91.1 Å²	91.1	60%	0.601	49%	0.49	S	S	*	.			trans	-79	94.9	-175.3	49.6	0	0	0	0	111	P487	P487-T489 HydrophobicContact CB-CG2 4.17Å; P487-T489 HydrophobicContact CG-CG2 4.09Å; P487-T489 PolarHBondContact O-N 3.39Å
490	G	73.1	Confident	64	Low	33 Å²	33	90.3 Å²	90.3	34%	0.34	50%	0.495	S	S	.	.			trans	-64.7	145.7	157.3	0	0	0	0	0	110.9	L467 L488	L467-G490 CarbonylContact O-C 3.58Å; L467-G490 WeakPolarHBondContact O-CA 3.47Å; L488-G490 PolarHBondContact O-N 3.11Å; L488-G490 VanDerWaalsContact O-N 3.12Å
491	L	83.6	Confident	66.6	Low	20 Å²	20	88.4 Å²	88.4	11%	0.105	47%	0.472	C	S	.	.			trans	-81.9	138	-177.7	-171.7	60.7	0	0	0	110.5	Q466 L467 L493 R517 F518 W521	Q466-L491 WeakPolarHBondContact CA-O 3.44Å; L467-L491 HydrophobicContact CB-CB 4.25Å; L467-L491 HydrophobicContact CD1-CB 4.11Å; L467-L491 HydrophobicContact CD1-CD2 4.04Å; L467-L491 HydrophobicContact CD1-CG 4.49Å; L467-L491 HydrophobicContact CG-CB 4.27Å; L467-L491 PolarHBondContact N-O 2.88Å; L467-L491 PolarHBondContact O-N 2.84Å; L467-L491 VanDerWaalsContact O-N 3.12Å; L491-L493 HydrophobicContact CD2-CD2 3.97Å; L491-L493 HydrophobicContact CD2-CG 4.46Å; L491-L493 HydrophobicContact CG-CD2 4.04Å; L491-L493 HydrophobicContact CG-CG 4.31Å; L491-R517 HydrophobicContact CD1-CB 4.1Å; L491-F518 HydrophobicContact CD2-CD1 3.7Å; L491-F518 HydrophobicContact CD2-CD2 4.33Å; L491-F518 HydrophobicContact CD2-CE1 3.83Å; L491-F518 HydrophobicContact CD2-CE2 4.42Å; L491-F518 HydrophobicContact CD2-CG 3.98Å; L491-F518 HydrophobicContact CD2-CZ 4.19Å; L491-W521 HydrophobicContact CB-CD2 4.49Å; L491-W521 HydrophobicContact CB-CG 4.12Å; L491-W521 HydrophobicContact CD2-CG 4.5Å
492	R	85.5	Confident	69	Low	163 Å²	163	82.2 Å²	82.2	62%	0.615	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	134.7	170.4	-80.6	-177.8	168.2	-162.3	-7.2	110.1	T465 Q466	T465-R492 WeakPolarHBondContact O-CA 3.44Å; Q466-R492 HydrophobicContact CB-CG 4.25Å; Q466-R492 HydrophobicContact CG-CG 4.13Å
493	L	87	Confident	71.4	Confident	21 Å²	21	73.9 Å²	73.9	11%	0.11	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	150.9	-175.3	-54.5	163.9	0	0	0	109.1	Q464 T465 L467 L491 F518	Q464-L493 WeakPolarHBondContact CA-O 3.44Å; T465-L493 PolarHBondContact N-O 2.88Å; T465-L493 PolarHBondContact O-N 3.36Å; L467-L493 HydrophobicContact CD1-CD1 4.26Å; L467-L493 HydrophobicContact CG-CD1 4.42Å; L491-L493 HydrophobicContact CD2-CD2 3.97Å; L491-L493 HydrophobicContact CD2-CG 4.46Å; L491-L493 HydrophobicContact CG-CD2 4.04Å; L491-L493 HydrophobicContact CG-CG 4.31Å; L493-F518 HydrophobicContact CD1-CE1 4.1Å; L493-F518 HydrophobicContact CD1-CE2 4.29Å; L493-F518 HydrophobicContact CD1-CZ 3.45Å; L493-F518 VanDerWaalsContact CD1-CZ 3.45Å; L493-F518 HydrophobicContact CD2-CE2 3.8Å; L493-F518 HydrophobicContact CD2-CZ 3.78Å; L493-F518 HydrophobicContact CG-CZ 4.25Å
494	G	88.9	Confident	73.9	Confident	63 Å²	63	70.5 Å²	70.5	65%	0.649	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144	133.6	170.6	0	0	0	0	0	109.7	F463	F463-G494 WeakPolarHBondContact O-CA 3.4Å
495	F	90.4	Very high	76.2	Confident	21 Å²	21	65.4 Å²	65.4	9%	0.092	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	158	-176.5	54.7	-91.8	0	0	0	110.3	T462 F463 T465 P504 F509 L538 V542	T462-F495 CarbonylContact C-O 3.6Å; T462-F495 WeakPolarHBondContact CA-O 3.43Å; F463-F495 HydrophobicContact CB-CD2 4.04Å; F463-F495 HydrophobicContact CB-CE1 4.26Å; F463-F495 HydrophobicContact CB-CE2 3.56Å; F463-F495 HydrophobicContact CB-CZ 3.68Å; F463-F495 HydrophobicContact CD2-CD2 4.17Å; F463-F495 AromaticContact CD2-CE2 3.8Å; F463-F495 HydrophobicContact CD2-CE2 3.8Å; F463-F495 HydrophobicContact CG-CD2 4.48Å; F463-F495 AromaticContact CG-CE2 3.85Å; F463-F495 HydrophobicContact CG-CE2 3.85Å; F463-F495 HydrophobicContact CG-CZ 4.29Å; F463-F495 PolarHBondContact N-O 3.28Å; F463-F495 PolarHBondContact O-N 3.45Å; T465-F495 WeakPolarHBondContact OG1-CE1 3.31Å; F495-P504 HydrophobicContact CD2-CB 3.99Å; F495-P504 HydrophobicContact CD2-CG 4.21Å; F495-P504 HydrophobicContact CE2-CB 4.09Å; F495-P504 HydrophobicContact CE2-CG 3.78Å; F495-P504 HydrophobicContact CZ-CG 4.25Å; F495-F509 AromaticContact CD1-CE1 3.99Å; F495-F509 HydrophobicContact CD1-CE1 3.99Å; F495-F509 HydrophobicContact CD1-CZ 4.11Å; F495-F509 HydrophobicContact CE1-CE1 4.24Å; F495-F509 HydrophobicContact CE1-CZ 4.14Å; F495-F509 HydrophobicContact CG-CZ 4.5Å; F495-L538 HydrophobicContact CE1-CD2 3.99Å; F495-L538 HydrophobicContact CZ-CD1 4.27Å; F495-L538 HydrophobicContact CZ-CD2 4.14Å; F495-L538 HydrophobicContact CZ-CG 4.27Å; F495-V542 HydrophobicContact CE2-CG1 4.39Å; F495-V542 HydrophobicContact CE2-CG2 4.07Å; F495-V542 HydrophobicContact CZ-CG2 3.96Å
496	S	90.3	Very high	78.3	Confident	54 Å²	54	58.9 Å²	58.9	38%	0.378	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	121.3	-178.1	-60	0	0	0	0	110.6	V461 T462	V461-S496 CarbonylContact O-C 3.45Å; V461-S496 WeakPolarHBondContact O-CA 3.45Å; T462-S496 WeakPolarHBondContact CG2-OG 3.44Å; T462-S496 PolarHBondContact OG1-OG 3.03Å
497	C	89.4	Confident	80.4	Confident	4 Å²	4	55.5 Å²	55.5	3%	0.027	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	138.7	-179.3	-58.1	0	0	0	0	110.2	Y460 V461 F463 S501 L546	Y460-C497 CarbonylContact C-O 3.58Å; Y460-C497 WeakPolarHBondContact CA-O 3.35Å; V461-C497 PolarHBondContact N-O 2.89Å; V461-C497 PolarHBondContact O-N 3.3Å; F463-C497 HydrophobicContact CE2-CB 4.06Å; C497-S501 WeakPolarHBondContact CB-OG 3.42Å; C497-L546 HydrophobicContact CB-CD1 3.95Å
498	P	88.9	Confident	82.4	Confident	39 Å²	39	55.2 Å²	55.2	25%	0.253	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	142.3	164.4	-19.9	29.1	0	0	0	110.7	I459 Y460 T500 S501	I459-P498 CarbonylContact O-C 3.57Å; I459-P498 WeakPolarHBondContact O-CA 3.24Å; Y460-P498 HydrophobicContact CD1-CG 4.19Å; Y460-P498 HydrophobicContact CE1-CB 4.31Å; Y460-P498 HydrophobicContact CE1-CG 3.69Å; P498-T500 PolarHBondContact O-N 3.41Å; P498-T500 VanDerWaalsContact O-N 3.09Å; P498-S501 WeakPolarHBondContact O-CB 3.42Å; P498-S501 PolarHBondContact O-N 3.18Å; P498-S501 PolarHBondContact O-OG 3.44Å
499	L	87.8	Confident	84	Confident	29 Å²	29	50.7 Å²	50.7	15%	0.152	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-22.4	177.5	-178.7	59.8	0	0	0	112.4	I459 V461 L546 I549 R550 F554	I459-L499 HydrophobicContact CB-CB 3.96Å; I459-L499 HydrophobicContact CB-CD2 4.1Å; I459-L499 HydrophobicContact CD1-CD2 3.96Å; I459-L499 HydrophobicContact CG1-CD2 4.48Å; I459-L499 HydrophobicContact CG2-CB 4.45Å; I459-L499 HydrophobicContact CG2-CD2 4.35Å; I459-L499 PolarHBondContact O-N 3.04Å; V461-L499 HydrophobicContact CG2-CD1 4.19Å; L499-L546 HydrophobicContact CD1-CD2 4.16Å; L499-I549 HydrophobicContact CD1-CB 4.07Å; L499-I549 HydrophobicContact CD1-CG2 3.57Å; L499-I549 HydrophobicContact CD2-CG2 4.48Å; L499-R550 VanDerWaalsContact O-CZ 3.25Å; L499-R550 PolarHBondContact O-NE 3.38Å; L499-R550 PolarHBondContact O-NH2 2.89Å; L499-F554 HydrophobicContact CD2-CE2 4.33Å; L499-F554 HydrophobicContact CD2-CZ 3.98Å
500	T	85.4	Confident	85.1	Confident	121 Å²	121	48.7 Å²	48.7	74%	0.742	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-5	175.2	51.5	0	0	0	0	114.6	P498	P498-T500 PolarHBondContact O-N 3.41Å; P498-T500 VanDerWaalsContact O-N 3.09Å
501	S	87.1	Confident	85.5	Confident	25 Å²	25	50.6 Å²	50.6	18%	0.175	29%	0.291	C	S	.	.	S	Bend	trans	-85	152.5	-175.5	67.5	0	0	0	0	114	C497 P498 G503 L546 R550	C497-S501 WeakPolarHBondContact CB-OG 3.42Å; P498-S501 WeakPolarHBondContact O-CB 3.42Å; P498-S501 PolarHBondContact O-N 3.18Å; P498-S501 PolarHBondContact O-OG 3.44Å; S501-G503 PolarHBondContact O-N 3.38Å; S501-L546 WeakPolarHBondContact O-CD1 3.48Å; S501-R550 PolarHBondContact O-NH2 3.07Å
502	Q	85	Confident	85.2	Confident	98 Å²	98	55 Å²	55	46%	0.458	32%	0.321	S	S	.	.	S	Bend	trans	-81.5	33.3	178.2	-60.1	-64.2	-12.3	0	0	113.1	R543	Q502-R543 HydrophobicContact CB-CG 4.37Å; Q502-R543 WeakPolarHBondContact O-CB 3.26Å
503	G	85.6	Confident	85	Confident	7 Å²	7	55.1 Å²	55.1	7%	0.072	33%	0.326	C	S	.	.	S	Bend	trans	97.7	-176.9	-170.2	0	0	0	0	0	113.1	S501	S501-G503 PolarHBondContact O-N 3.38Å
504	P	86.2	Confident	84.8	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.006	33%	0.333	C	S	.	.			trans	-67.8	139.1	175.3	29.5	-34.9	0	0	0	110.3	F495 F509 Q539	F495-P504 HydrophobicContact CD2-CB 3.99Å; F495-P504 HydrophobicContact CD2-CG 4.21Å; F495-P504 HydrophobicContact CE2-CB 4.09Å; F495-P504 HydrophobicContact CE2-CG 3.78Å; F495-P504 HydrophobicContact CZ-CG 4.25Å; P504-F509 HydrophobicContact CB-CE2 3.81Å; P504-F509 HydrophobicContact CB-CZ 3.9Å; P504-F509 HydrophobicContact CG-CE2 3.82Å; P504-F509 HydrophobicContact CG-CZ 3.85Å; P504-Q539 PolarHBondContact O-NE2 2.85Å
505	P	83.6	Confident	84.5	Confident	63 Å²	63	53.9 Å²	53.9	41%	0.409	31%	0.308	S	S	.	.			trans	-72	147.4	170	33.2	-35	0	0	0	110	S507 D508	P505-S507 PolarHBondContact O-N 3.23Å; P505-D508 WeakPolarHBondContact CD-OD2 3.05Å; P505-D508 HydrophobicContact CG-CB 4.47Å; P505-D508 WeakPolarHBondContact CG-OD1 3.48Å; P505-D508 PolarHBondContact O-N 3Å
506	M	81.4	Confident	84.2	Confident	52 Å²	52	58.9 Å²	58.9	26%	0.256	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-61.2	-31.1	-176.7	-69	-67.4	-73.3	0	0	112.8	D508 F509 L535	M506-D508 PolarHBondContact O-N 2.91Å; M506-F509 PolarHBondContact O-N 3.46Å; M506-F509 VanDerWaalsContact O-N 3.13Å; M506-L535 HydrophobicContact CE-CB 3.68Å; M506-L535 HydrophobicContact CE-CD1 4.08Å; M506-L535 HydrophobicContact SD-CB 3.93Å
507	S	82.6	Confident	83.9	Confident	61 Å²	61	64.1 Å²	64.1	43%	0.427	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-54.4	-32.9	176.2	53.5	0	0	0	0	114.6	P505 F509 E510	P505-S507 PolarHBondContact O-N 3.23Å; S507-F509 PolarHBondContact O-N 3.21Å; S507-E510 WeakPolarHBondContact CA-OE2 3.42Å; S507-E510 PolarHBondContact O-N 2.99Å; S507-E510 VanDerWaalsContact O-N 3.07Å
508	D	81.4	Confident	83.7	Confident	83 Å²	83	64 Å²	64	44%	0.444	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-65.4	-28.5	-178.2	-72.2	4.4	0	0	0	111.5	P505 M506 E510	P505-D508 WeakPolarHBondContact CD-OD2 3.05Å; P505-D508 HydrophobicContact CG-CB 4.47Å; P505-D508 WeakPolarHBondContact CG-OD1 3.48Å; P505-D508 PolarHBondContact O-N 3Å; M506-D508 PolarHBondContact O-N 2.91Å; D508-E510 VanDerWaalsContact C-N 3.31Å
509	F	84.1	Confident	83.5	Confident	8 Å²	8	64.4 Å²	64.4	4%	0.035	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-84.8	-1	178	-55.9	-70.1	0	0	0	113.8	F495 P504 M506 S507 V514 A515 F518 R531 L535 L538	F495-F509 AromaticContact CD1-CE1 3.99Å; F495-F509 HydrophobicContact CD1-CE1 3.99Å; F495-F509 HydrophobicContact CD1-CZ 4.11Å; F495-F509 HydrophobicContact CE1-CE1 4.24Å; F495-F509 HydrophobicContact CE1-CZ 4.14Å; F495-F509 HydrophobicContact CG-CZ 4.5Å; P504-F509 HydrophobicContact CB-CE2 3.81Å; P504-F509 HydrophobicContact CB-CZ 3.9Å; P504-F509 HydrophobicContact CG-CE2 3.82Å; P504-F509 HydrophobicContact CG-CZ 3.85Å; M506-F509 PolarHBondContact O-N 3.46Å; M506-F509 VanDerWaalsContact O-N 3.13Å; S507-F509 PolarHBondContact O-N 3.21Å; F509-V514 HydrophobicContact CB-CG1 4.48Å; F509-V514 WeakPolarHBondContact O-CG1 3.13Å; F509-A515 PolarHBondContact O-N 3.1Å; F509-F518 HydrophobicContact CB-CE2 3.98Å; F509-F518 AromaticContact CD1-CE2 3.89Å; F509-F518 HydrophobicContact CD1-CE2 3.89Å; F509-F518 HydrophobicContact CD1-CZ 4.1Å; F509-F518 HydrophobicContact CG-CE2 4.29Å; F509-R531 PolarHBondContact O-NH2 2.92Å; F509-L535 HydrophobicContact CB-CD1 3.96Å; F509-L535 HydrophobicContact CB-CD2 4.18Å; F509-L535 HydrophobicContact CD1-CD2 3.84Å; F509-L535 HydrophobicContact CD2-CD1 4.37Å; F509-L535 HydrophobicContact CD2-CD2 3.61Å; F509-L535 HydrophobicContact CE1-CD2 4.08Å; F509-L535 HydrophobicContact CE2-CD2 3.86Å; F509-L535 HydrophobicContact CG-CD1 4.25Å; F509-L535 HydrophobicContact CG-CD2 3.59Å; F509-L535 HydrophobicContact CZ-CD2 4.08Å; F509-L538 HydrophobicContact CZ-CD2 4.2Å
510	E	80.1	Confident	83.2	Confident	57 Å²	57	66.2 Å²	66.2	27%	0.266	36%	0.357	S	S	.	.			trans	-108.2	-4.5	-174	-67.6	176.4	135.7	0	0	114	T187 S507 D508	T187-E510 WeakPolarHBondContact CB-OE2 3.46Å; T187-E510 WeakPolarHBondContact CG2-OE2 3.34Å; T187-E510 VanDerWaalsContact OG1-CD 3.23Å; T187-E510 PolarHBondContact OG1-OE1 3.16Å; T187-E510 PolarHBondContact OG1-OE2 3.26Å; S507-E510 WeakPolarHBondContact CA-OE2 3.42Å; S507-E510 PolarHBondContact O-N 2.99Å; S507-E510 VanDerWaalsContact O-N 3.07Å; D508-E510 VanDerWaalsContact C-N 3.31Å
511	T	81.8	Confident	83.1	Confident	73 Å²	73	61 Å²	61	45%	0.448	32%	0.324	S	S	.	.	S	Bend	trans	-49.6	132.4	166.3	60.2	0	0	0	0	109.4	K513 V514 A515	T511-K513 VanDerWaalsContact C-N 3.26Å; T511-K513 PolarHBondContact O-N 3.35Å; T511-V514 WeakPolarHBondContact O-CA 3.27Å; T511-V514 PolarHBondContact O-N 3.4Å; T511-V514 VanDerWaalsContact OG1-CG2 3.28Å; T511-V514 WeakPolarHBondContact OG1-CG2 3.26Å; T511-A515 PolarHBondContact O-N 3.41Å
512	P	77.6	Confident	83	Confident	111 Å²	111	61.2 Å²	61.2	72%	0.721	32%	0.322	S	S	*	.	H	α-helix	trans	-54.3	-37	-161.3	-33.1	36	0	0	0	115.5	V514 E516	P512-V514 VanDerWaalsContact C-N 3.28Å; P512-V514 PolarHBondContact O-N 2.69Å; P512-E516 WeakPolarHBondContact O-CB 3.39Å; P512-E516 PolarHBondContact O-N 3.14Å
513	K	80.6	Confident	82.7	Confident	167 Å²	167	64 Å²	64	73%	0.726	33%	0.333	S	S	*	.	H	α-helix	trans	-69.9	-19.8	178	-63.7	177.2	-180	173.9	0	114.3	T511 R517	T511-K513 VanDerWaalsContact C-N 3.26Å; T511-K513 PolarHBondContact O-N 3.35Å; K513-R517 VanDerWaalsContact O-CD 3.28Å; K513-R517 WeakPolarHBondContact O-CD 3.38Å; K513-R517 VanDerWaalsContact O-CG 3.3Å; K513-R517 WeakPolarHBondContact O-CG 3.38Å
514	V	82.6	Confident	82.3	Confident	42 Å²	42	66.4 Å²	66.4	26%	0.255	35%	0.352	S	S	.	.	H	α-helix	trans	-93.4	-45.4	175.8	-179.6	0	0	0	0	109.3	F509 T511 P512 E516 R517 F518	F509-V514 HydrophobicContact CB-CG1 4.48Å; F509-V514 WeakPolarHBondContact O-CG1 3.13Å; T511-V514 WeakPolarHBondContact O-CA 3.27Å; T511-V514 PolarHBondContact O-N 3.4Å; T511-V514 VanDerWaalsContact OG1-CG2 3.28Å; T511-V514 WeakPolarHBondContact OG1-CG2 3.26Å; P512-V514 VanDerWaalsContact C-N 3.28Å; P512-V514 PolarHBondContact O-N 2.69Å; V514-E516 PolarHBondContact O-N 3.29Å; V514-R517 PolarHBondContact O-N 2.88Å; V514-R517 VanDerWaalsContact O-N 3.16Å; V514-F518 HydrophobicContact CG1-CD2 3.77Å; V514-F518 HydrophobicContact CG1-CE2 3.63Å; V514-F518 WeakPolarHBondContact O-CD2 3.44Å; V514-F518 PolarHBondContact O-N 2.88Å
515	A	83.6	Confident	81.7	Confident	15 Å²	15	67.1 Å²	67.1	12%	0.124	36%	0.36	C	S	.	.	H	α-helix	trans	-53.7	-53.9	172.8	0	0	0	0	0	111.9	F509 T511 R517 F518 D519	F509-A515 PolarHBondContact O-N 3.1Å; T511-A515 PolarHBondContact O-N 3.41Å; A515-R517 PolarHBondContact O-N 2.99Å; A515-R517 VanDerWaalsContact O-N 3.12Å; A515-F518 PolarHBondContact O-N 3.42Å; A515-D519 PolarHBondContact O-N 3.12Å
516	E	83	Confident	81.3	Confident	126 Å²	126	71 Å²	71	59%	0.589	38%	0.377	S	S	*	.	H	α-helix	trans	-53.2	-37.1	178	-179.6	-174.1	-156.6	0	0	112.8	P512 V514 S520	P512-E516 WeakPolarHBondContact O-CB 3.39Å; P512-E516 PolarHBondContact O-N 3.14Å; V514-E516 PolarHBondContact O-N 3.29Å; E516-S520 VanDerWaalsContact O-CB 3.25Å; E516-S520 WeakPolarHBondContact O-CB 3.41Å; E516-S520 PolarHBondContact O-N 3.09Å; E516-S520 PolarHBondContact O-OG 3.5Å
517	R	84	Confident	80.9	Confident	164 Å²	164	73.6 Å²	73.6	62%	0.619	38%	0.384	S	S	*	.	H	α-helix	trans	-74.2	-40.1	178	-72.2	177.4	176.6	-165.2	-1.5	112.7	L491 K513 V514 A515 W521	L491-R517 HydrophobicContact CD1-CB 4.1Å; K513-R517 VanDerWaalsContact O-CD 3.28Å; K513-R517 WeakPolarHBondContact O-CD 3.38Å; K513-R517 VanDerWaalsContact O-CG 3.3Å; K513-R517 WeakPolarHBondContact O-CG 3.38Å; V514-R517 PolarHBondContact O-N 2.88Å; V514-R517 VanDerWaalsContact O-N 3.16Å; A515-R517 PolarHBondContact O-N 2.99Å; A515-R517 VanDerWaalsContact O-N 3.12Å; R517-W521 VanDerWaalsContact O-CB 3.26Å; R517-W521 WeakPolarHBondContact O-CB 3.27Å; R517-W521 PolarHBondContact O-N 3.49Å
518	F	86.4	Confident	80.6	Confident	1 Å²	1	76.3 Å²	76.3	0%	0.004	40%	0.4	C	S	.	.	H	α-helix	trans	-63.3	-46.4	171.8	-87.3	-75.2	0	0	0	111.2	L467 L491 L493 F509 V514 A515 S520 W521 E522 R531 L535	L467-F518 HydrophobicContact CD1-CD1 4.47Å; L467-F518 HydrophobicContact CD1-CE1 3.82Å; L491-F518 HydrophobicContact CD2-CD1 3.7Å; L491-F518 HydrophobicContact CD2-CD2 4.33Å; L491-F518 HydrophobicContact CD2-CE1 3.83Å; L491-F518 HydrophobicContact CD2-CE2 4.42Å; L491-F518 HydrophobicContact CD2-CG 3.98Å; L491-F518 HydrophobicContact CD2-CZ 4.19Å; L493-F518 HydrophobicContact CD1-CE1 4.1Å; L493-F518 HydrophobicContact CD1-CE2 4.29Å; L493-F518 HydrophobicContact CD1-CZ 3.45Å; L493-F518 VanDerWaalsContact CD1-CZ 3.45Å; L493-F518 HydrophobicContact CD2-CE2 3.8Å; L493-F518 HydrophobicContact CD2-CZ 3.78Å; L493-F518 HydrophobicContact CG-CZ 4.25Å; F509-F518 HydrophobicContact CB-CE2 3.98Å; F509-F518 AromaticContact CD1-CE2 3.89Å; F509-F518 HydrophobicContact CD1-CE2 3.89Å; F509-F518 HydrophobicContact CD1-CZ 4.1Å; F509-F518 HydrophobicContact CG-CE2 4.29Å; V514-F518 HydrophobicContact CG1-CD2 3.77Å; V514-F518 HydrophobicContact CG1-CE2 3.63Å; V514-F518 WeakPolarHBondContact O-CD2 3.44Å; V514-F518 PolarHBondContact O-N 2.88Å; A515-F518 PolarHBondContact O-N 3.42Å; F518-S520 VanDerWaalsContact C-N 3.31Å; F518-S520 PolarHBondContact O-N 3.16Å; F518-W521 HydrophobicContact CD1-CE3 4.34Å; F518-W521 WeakPolarHBondContact O-CB 3.34Å; F518-W521 PolarHBondContact O-N 2.87Å; F518-W521 VanDerWaalsContact O-N 3.15Å; F518-E522 WeakPolarHBondContact O-CB 3.36Å; F518-E522 PolarHBondContact O-N 3.28Å; F518-R531 HydrophobicContact CB-CG 4.01Å; F518-R531 HydrophobicContact CD1-CG 4.02Å; F518-R531 HydrophobicContact CG-CG 4.19Å; F518-L535 HydrophobicContact CE1-CD1 4.44Å; F518-L535 HydrophobicContact CE1-CD2 4Å; F518-L535 HydrophobicContact CE1-CG 4.18Å; F518-L535 HydrophobicContact CE2-CD2 4.32Å; F518-L535 HydrophobicContact CZ-CD1 4.32Å; F518-L535 HydrophobicContact CZ-CD2 3.56Å; F518-L535 HydrophobicContact CZ-CG 4.17Å
519	D	82.7	Confident	80.4	Confident	48 Å²	48	74.1 Å²	74.1	26%	0.257	40%	0.397	S	S	.	.	H	α-helix	trans	-64.8	-38.4	-178.9	-60	-11.6	0	0	0	110.9	A515 K523 R531	A515-D519 PolarHBondContact O-N 3.12Å; D519-K523 VanDerWaalsContact O-CB 3.24Å; D519-K523 WeakPolarHBondContact O-CB 3.25Å; D519-K523 VanDerWaalsContact O-CD 3.28Å; D519-K523 WeakPolarHBondContact O-CD 3.36Å; D519-K523 WeakPolarHBondContact O-CG 3.36Å; D519-K523 PolarHBondContact O-N 3.44Å; D519-R531 IonicContact OD1-CZ 3.7Å; D519-R531 IonicContact OD1-NE 2.61Å; D519-R531 IonicContact OD1-NH1 2.66Å; D519-R531 PolarHBondContact OD1-NH1 3.36Å; D519-R531 IonicContact OD2-NH1 2.82Å
520	S	82.3	Confident	80.3	Confident	67 Å²	67	74.2 Å²	74.2	47%	0.469	40%	0.398	S	S	.	.	H	α-helix	trans	-65	-40.8	173.3	-61.9	0	0	0	0	112.3	E516 F518 A524	E516-S520 VanDerWaalsContact O-CB 3.25Å; E516-S520 WeakPolarHBondContact O-CB 3.41Å; E516-S520 PolarHBondContact O-N 3.09Å; E516-S520 PolarHBondContact O-OG 3.5Å; F518-S520 VanDerWaalsContact C-N 3.31Å; F518-S520 PolarHBondContact O-N 3.16Å; S520-A524 VanDerWaalsContact O-CB 3.32Å; S520-A524 WeakPolarHBondContact O-CB 3.42Å; S520-A524 PolarHBondContact O-N 3Å
521	W	84.3	Confident	80.5	Confident	13 Å²	13	73.1 Å²	73.1	5%	0.049	39%	0.391	C	S	.	.	H	α-helix	trans	-68.4	-38.8	177.1	172.9	81.1	0	0	0	112.2	F416 L467 P468 L470 L491 R517 F518 A524 G525 F530 I534	F416-W521 AromaticContact CE1-CH2 3.98Å; F416-W521 HydrophobicContact CE1-CH2 3.98Å; F416-W521 HydrophobicContact CE1-CZ2 4.06Å; F416-W521 HydrophobicContact CZ-CH2 4.45Å; F416-W521 HydrophobicContact CZ-CZ2 4.43Å; L467-W521 HydrophobicContact CB-CH2 4.17Å; L467-W521 HydrophobicContact CB-CZ2 3.49Å; L467-W521 VanDerWaalsContact CB-CZ2 3.49Å; L467-W521 HydrophobicContact CD1-CD2 4.34Å; L467-W521 HydrophobicContact CD1-CE3 4.26Å; L467-W521 HydrophobicContact CD1-CH2 3.7Å; L467-W521 HydrophobicContact CD1-CZ2 3.78Å; L467-W521 HydrophobicContact CD1-CZ3 3.95Å; L467-W521 HydrophobicContact CG-CZ2 4.27Å; P468-W521 PolarHBondContact O-NE1 3.03Å; L470-W521 HydrophobicContact CD1-CD2 3.99Å; L470-W521 HydrophobicContact CD1-CE3 4.08Å; L470-W521 HydrophobicContact CD1-CH2 3.77Å; L470-W521 HydrophobicContact CD1-CZ2 3.66Å; L470-W521 HydrophobicContact CD1-CZ3 3.98Å; L470-W521 HydrophobicContact CD2-CH2 4.23Å; L470-W521 HydrophobicContact CD2-CZ2 3.67Å; L470-W521 HydrophobicContact CG-CD2 4.32Å; L470-W521 HydrophobicContact CG-CH2 4.23Å; L470-W521 HydrophobicContact CG-CZ2 3.62Å; L491-W521 HydrophobicContact CB-CD2 4.49Å; L491-W521 HydrophobicContact CB-CG 4.12Å; L491-W521 HydrophobicContact CD2-CG 4.5Å; R517-W521 VanDerWaalsContact O-CB 3.26Å; R517-W521 WeakPolarHBondContact O-CB 3.27Å; R517-W521 PolarHBondContact O-N 3.49Å; F518-W521 HydrophobicContact CD1-CE3 4.34Å; F518-W521 WeakPolarHBondContact O-CB 3.34Å; F518-W521 PolarHBondContact O-N 2.87Å; F518-W521 VanDerWaalsContact O-N 3.15Å; W521-A524 PolarHBondContact O-N 3.5Å; W521-G525 PolarHBondContact O-N 2.95Å; W521-F530 HydrophobicContact CH2-CD1 4.02Å; W521-F530 AromaticContact CH2-CE1 3.86Å; W521-F530 HydrophobicContact CH2-CE1 3.86Å; W521-F530 HydrophobicContact CZ3-CD1 4.24Å; W521-I534 HydrophobicContact CH2-CG1 4.27Å; W521-I534 HydrophobicContact CH2-CG2 4.4Å
522	E	83.4	Confident	80.6	Confident	28 Å²	28	73.2 Å²	73.2	13%	0.131	39%	0.391	C	S	.	.	H	α-helix	trans	-68.7	-45	175.7	-170.3	178.5	-125.4	0	0	111.8	F518 A524 G525 N526 R527 G529 F530 R531	F518-E522 WeakPolarHBondContact O-CB 3.36Å; F518-E522 PolarHBondContact O-N 3.28Å; E522-A524 VanDerWaalsContact C-N 3.34Å; E522-A524 PolarHBondContact O-N 3.17Å; E522-G525 CarbonylContact O-C 3.59Å; E522-G525 WeakPolarHBondContact O-CA 3.12Å; E522-G525 PolarHBondContact O-N 2.92Å; E522-N526 PolarHBondContact O-N 3.26Å; E522-N526 VanDerWaalsContact O-N 3.08Å; E522-R527 WeakPolarHBondContact CG-O 3.37Å; E522-R527 PolarHBondContact O-N 3.31Å; E522-G529 WeakPolarHBondContact OE1-CA 3.46Å; E522-G529 PolarHBondContact OE1-N 2.89Å; E522-F530 PolarHBondContact OE1-N 3.28Å; E522-R531 VanDerWaalsContact OE1-CB 3.26Å; E522-R531 WeakPolarHBondContact OE1-CB 3.37Å; E522-R531 PolarHBondContact OE1-N 3.44Å
523	K	80.2	Confident	80.8	Confident	156 Å²	156	72.8 Å²	72.8	68%	0.678	38%	0.38	S	S	*	.	H	α-helix	trans	-60	-41.7	173	-73.7	163.5	-171.5	166.4	0	111.7	D519 G525 N526	D519-K523 VanDerWaalsContact O-CB 3.24Å; D519-K523 WeakPolarHBondContact O-CB 3.25Å; D519-K523 VanDerWaalsContact O-CD 3.28Å; D519-K523 WeakPolarHBondContact O-CD 3.36Å; D519-K523 WeakPolarHBondContact O-CG 3.36Å; D519-K523 PolarHBondContact O-N 3.44Å; K523-G525 PolarHBondContact O-N 3.47Å; K523-N526 PolarHBondContact O-N 3.44Å
524	A	76.5	Confident	81.1	Confident	59 Å²	59	64.9 Å²	64.9	49%	0.488	35%	0.346	S	S	.	.	H	α-helix	trans	-63.3	-22.6	174.6	0	0	0	0	0	113.5	S471 S520 W521 E522	S471-A524 WeakPolarHBondContact CA-O 3.49Å; S471-A524 WeakPolarHBondContact CB-O 3.44Å; S520-A524 VanDerWaalsContact O-CB 3.32Å; S520-A524 WeakPolarHBondContact O-CB 3.42Å; S520-A524 PolarHBondContact O-N 3Å; W521-A524 PolarHBondContact O-N 3.5Å; E522-A524 VanDerWaalsContact C-N 3.34Å; E522-A524 PolarHBondContact O-N 3.17Å
525	G	73.8	Confident	81.4	Confident	16 Å²	16	63.1 Å²	63.1	17%	0.165	33%	0.334	C	S	.	.	H	α-helix	trans	-88.7	-15.2	172.3	0	0	0	0	0	115.7	W521 E522 K523 R527	W521-G525 PolarHBondContact O-N 2.95Å; E522-G525 CarbonylContact O-C 3.59Å; E522-G525 WeakPolarHBondContact O-CA 3.12Å; E522-G525 PolarHBondContact O-N 2.92Å; K523-G525 PolarHBondContact O-N 3.47Å; G525-R527 VanDerWaalsContact C-N 3.33Å; G525-R527 PolarHBondContact O-N 2.96Å
526	N	75.6	Confident	81.5	Confident	143 Å²	143	65.8 Å²	65.8	77%	0.765	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	48.4	-166.9	-165.9	44.5	0	0	0	113	E522 K523	E522-N526 PolarHBondContact O-N 3.26Å; E522-N526 VanDerWaalsContact O-N 3.08Å; K523-N526 PolarHBondContact O-N 3.44Å
527	R	72.7	Confident	81.6	Confident	108 Å²	108	60.5 Å²	60.5	41%	0.408	33%	0.327	S	S	.	.			trans	-132.2	74.9	-177.8	-71.2	-176.2	172.4	-136.7	-5.6	112.1	E522 G525 F530	E522-R527 WeakPolarHBondContact CG-O 3.37Å; E522-R527 PolarHBondContact O-N 3.31Å; G525-R527 VanDerWaalsContact C-N 3.33Å; G525-R527 PolarHBondContact O-N 2.96Å; R527-F530 HydrophobicContact CB-CB 3.75Å; R527-F530 HydrophobicContact CB-CD1 4.49Å; R527-F530 HydrophobicContact CB-CG 4.17Å; R527-F530 WeakPolarHBondContact O-CB 3.25Å; R527-F530 PolarHBondContact O-N 3.09Å
528	P	74.9	Confident	81.9	Confident	118 Å²	118	52.8 Å²	52.8	77%	0.766	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	139.7	179.1	26.4	-34.9	0	0	0	112.1	F530	P528-F530 PolarHBondContact O-N 3.08Å
529	G	78.3	Confident	82.1	Confident	37 Å²	37	55.5 Å²	55.5	38%	0.381	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-8.5	-178.7	0	0	0	0	0	114.8	E522 R531 V532 Q533	E522-G529 WeakPolarHBondContact OE1-CA 3.46Å; E522-G529 PolarHBondContact OE1-N 2.89Å; G529-R531 VanDerWaalsContact C-N 3.31Å; G529-R531 PolarHBondContact O-N 3.09Å; G529-V532 PolarHBondContact O-N 3.23Å; G529-Q533 PolarHBondContact O-N 3.41Å
530	F	82.1	Confident	82.3	Confident	10 Å²	10	58.2 Å²	58.2	4%	0.044	32%	0.322	C	S	.	.	H	α-helix	trans	-69.9	-28.3	178.5	-171	-111.2	0	0	0	112.3	F416 L470 W521 E522 R527 P528 V532 Q533 I534 F566	F416-F530 HydrophobicContact CE1-CE1 4.45Å; F416-F530 HydrophobicContact CE2-CZ 4.4Å; F416-F530 AromaticContact CZ-CE1 3.85Å; F416-F530 HydrophobicContact CZ-CE1 3.85Å; F416-F530 AromaticContact CZ-CZ 3.78Å; F416-F530 HydrophobicContact CZ-CZ 3.78Å; L470-F530 HydrophobicContact CD1-CD1 3.72Å; L470-F530 HydrophobicContact CD1-CE1 3.85Å; L470-F530 HydrophobicContact CD2-CD1 4.46Å; L470-F530 HydrophobicContact CD2-CE1 3.75Å; L470-F530 HydrophobicContact CG-CE1 4.47Å; W521-F530 HydrophobicContact CH2-CD1 4.02Å; W521-F530 AromaticContact CH2-CE1 3.86Å; W521-F530 HydrophobicContact CH2-CE1 3.86Å; W521-F530 HydrophobicContact CZ3-CD1 4.24Å; E522-F530 PolarHBondContact OE1-N 3.28Å; R527-F530 HydrophobicContact CB-CB 3.75Å; R527-F530 HydrophobicContact CB-CD1 4.49Å; R527-F530 HydrophobicContact CB-CG 4.17Å; R527-F530 WeakPolarHBondContact O-CB 3.25Å; R527-F530 PolarHBondContact O-N 3.09Å; P528-F530 PolarHBondContact O-N 3.08Å; F530-V532 VanDerWaalsContact C-N 3.28Å; F530-V532 PolarHBondContact O-N 3.02Å; F530-Q533 PolarHBondContact O-N 3.49Å; F530-I534 HydrophobicContact CD1-CG1 3.98Å; F530-I534 HydrophobicContact CD2-CG1 4.41Å; F530-I534 HydrophobicContact CE1-CD1 4.1Å; F530-I534 HydrophobicContact CE1-CG1 3.65Å; F530-I534 HydrophobicContact CE2-CD1 4.08Å; F530-I534 HydrophobicContact CE2-CG1 4.11Å; F530-I534 HydrophobicContact CG-CG1 4.35Å; F530-I534 HydrophobicContact CZ-CD1 3.69Å; F530-I534 HydrophobicContact CZ-CG1 3.72Å; F530-I534 WeakPolarHBondContact O-CB 3.3Å; F530-I534 WeakPolarHBondContact O-CG1 3.4Å; F530-I534 PolarHBondContact O-N 3.42Å; F530-F566 HydrophobicContact CE2-CE1 4.29Å; F530-F566 HydrophobicContact CE2-CZ 4.27Å; F530-F566 HydrophobicContact CZ-CE1 4.44Å
531	R	83.9	Confident	82.6	Confident	33 Å²	33	56.1 Å²	56.1	13%	0.125	31%	0.306	C	S	.	.	H	α-helix	trans	-50.4	-48.4	168.6	174.7	-174.7	172.2	-171.4	-15.5	111	F509 F518 D519 E522 G529 L535	F509-R531 PolarHBondContact O-NH2 2.92Å; F518-R531 HydrophobicContact CB-CG 4.01Å; F518-R531 HydrophobicContact CD1-CG 4.02Å; F518-R531 HydrophobicContact CG-CG 4.19Å; D519-R531 IonicContact OD1-CZ 3.7Å; D519-R531 IonicContact OD1-NE 2.61Å; D519-R531 IonicContact OD1-NH1 2.66Å; D519-R531 PolarHBondContact OD1-NH1 3.36Å; D519-R531 IonicContact OD2-NH1 2.82Å; E522-R531 VanDerWaalsContact OE1-CB 3.26Å; E522-R531 WeakPolarHBondContact OE1-CB 3.37Å; E522-R531 PolarHBondContact OE1-N 3.44Å; G529-R531 VanDerWaalsContact C-N 3.31Å; G529-R531 PolarHBondContact O-N 3.09Å; R531-L535 HydrophobicContact CG-CD1 4.05Å; R531-L535 WeakPolarHBondContact O-CB 3.46Å; R531-L535 WeakPolarHBondContact O-CG 3.37Å; R531-L535 PolarHBondContact O-N 3.49Å
532	V	83.4	Confident	82.9	Confident	75 Å²	75	55.5 Å²	55.5	46%	0.455	30%	0.304	S	S	.	.	H	α-helix	trans	-67.5	-49.4	-177.6	-176.4	0	0	0	0	110.4	G529 F530 I534 L535 T536	G529-V532 PolarHBondContact O-N 3.23Å; F530-V532 VanDerWaalsContact C-N 3.28Å; F530-V532 PolarHBondContact O-N 3.02Å; V532-I534 VanDerWaalsContact C-N 3.29Å; V532-I534 PolarHBondContact O-N 3.38Å; V532-L535 PolarHBondContact O-N 3.47Å; V532-L535 VanDerWaalsContact O-N 3.13Å; V532-T536 PolarHBondContact O-N 3.1Å; V532-T536 PolarHBondContact O-OG1 3.26Å; V532-T536 VanDerWaalsContact O-OG1 3.11Å
533	Q	82.5	Confident	83.2	Confident	103 Å²	103	60.1 Å²	60.1	48%	0.481	32%	0.32	S	S	.	.	H	α-helix	trans	-55.2	-43.6	179	-63.9	176.8	5.4	0	0	112.5	G529 F530 A537	G529-Q533 PolarHBondContact O-N 3.41Å; F530-Q533 PolarHBondContact O-N 3.49Å; Q533-A537 WeakPolarHBondContact O-CB 3.42Å; Q533-A537 PolarHBondContact O-N 3.4Å; Q533-A537 VanDerWaalsContact O-N 3.09Å
534	I	86.1	Confident	83.5	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-70.9	-38.1	178.9	-67.1	-56.9	0	0	0	112.1	F416 L467 W521 F530 V532 L538 F565 F566	F416-I534 HydrophobicContact CD1-CD1 3.84Å; F416-I534 HydrophobicContact CD1-CG1 4.45Å; F416-I534 HydrophobicContact CD1-CG2 4Å; F416-I534 HydrophobicContact CE1-CB 4.48Å; F416-I534 HydrophobicContact CE1-CD1 3.41Å; F416-I534 VanDerWaalsContact CE1-CD1 3.41Å; F416-I534 HydrophobicContact CE1-CG1 3.76Å; F416-I534 HydrophobicContact CE1-CG2 3.85Å; F416-I534 HydrophobicContact CE2-CD1 4.23Å; F416-I534 HydrophobicContact CG-CD1 4.41Å; F416-I534 HydrophobicContact CZ-CD1 3.64Å; F416-I534 HydrophobicContact CZ-CG1 4.18Å; L467-I534 HydrophobicContact CD1-CG2 4.19Å; L467-I534 HydrophobicContact CD2-CG2 3.87Å; W521-I534 HydrophobicContact CH2-CG1 4.27Å; W521-I534 HydrophobicContact CH2-CG2 4.4Å; F530-I534 HydrophobicContact CD1-CG1 3.98Å; F530-I534 HydrophobicContact CD2-CG1 4.41Å; F530-I534 HydrophobicContact CE1-CD1 4.1Å; F530-I534 HydrophobicContact CE1-CG1 3.65Å; F530-I534 HydrophobicContact CE2-CD1 4.08Å; F530-I534 HydrophobicContact CE2-CG1 4.11Å; F530-I534 HydrophobicContact CG-CG1 4.35Å; F530-I534 HydrophobicContact CZ-CD1 3.69Å; F530-I534 HydrophobicContact CZ-CG1 3.72Å; F530-I534 WeakPolarHBondContact O-CB 3.3Å; F530-I534 WeakPolarHBondContact O-CG1 3.4Å; F530-I534 PolarHBondContact O-N 3.42Å; V532-I534 VanDerWaalsContact C-N 3.29Å; V532-I534 PolarHBondContact O-N 3.38Å; I534-L538 VanDerWaalsContact O-CB 3.3Å; I534-L538 WeakPolarHBondContact O-CB 3.45Å; I534-L538 PolarHBondContact O-N 2.9Å; I534-F565 HydrophobicContact CG2-CE2 4.18Å; I534-F565 HydrophobicContact CG2-CZ 4.25Å; I534-F566 HydrophobicContact CD1-CB 4.37Å; I534-F566 HydrophobicContact CD1-CD1 3.77Å; I534-F566 HydrophobicContact CD1-CD2 3.54Å; I534-F566 HydrophobicContact CD1-CE1 3.83Å; I534-F566 HydrophobicContact CD1-CE2 3.61Å; I534-F566 HydrophobicContact CD1-CG 3.63Å; I534-F566 HydrophobicContact CD1-CZ 3.76Å
535	L	88.6	Confident	84	Confident	4 Å²	4	55 Å²	55	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-68.2	-41.8	176.1	-77.8	176.3	0	0	0	112.3	M506 F509 F518 R531 V532 L538 Q539	M506-L535 HydrophobicContact CE-CB 3.68Å; M506-L535 HydrophobicContact CE-CD1 4.08Å; M506-L535 HydrophobicContact SD-CB 3.93Å; F509-L535 HydrophobicContact CB-CD1 3.96Å; F509-L535 HydrophobicContact CB-CD2 4.18Å; F509-L535 HydrophobicContact CD1-CD2 3.84Å; F509-L535 HydrophobicContact CD2-CD1 4.37Å; F509-L535 HydrophobicContact CD2-CD2 3.61Å; F509-L535 HydrophobicContact CE1-CD2 4.08Å; F509-L535 HydrophobicContact CE2-CD2 3.86Å; F509-L535 HydrophobicContact CG-CD1 4.25Å; F509-L535 HydrophobicContact CG-CD2 3.59Å; F509-L535 HydrophobicContact CZ-CD2 4.08Å; F518-L535 HydrophobicContact CE1-CD1 4.44Å; F518-L535 HydrophobicContact CE1-CD2 4Å; F518-L535 HydrophobicContact CE1-CG 4.18Å; F518-L535 HydrophobicContact CE2-CD2 4.32Å; F518-L535 HydrophobicContact CZ-CD1 4.32Å; F518-L535 HydrophobicContact CZ-CD2 3.56Å; F518-L535 HydrophobicContact CZ-CG 4.17Å; R531-L535 HydrophobicContact CG-CD1 4.05Å; R531-L535 WeakPolarHBondContact O-CB 3.46Å; R531-L535 WeakPolarHBondContact O-CG 3.37Å; R531-L535 PolarHBondContact O-N 3.49Å; V532-L535 PolarHBondContact O-N 3.47Å; V532-L535 VanDerWaalsContact O-N 3.13Å; L535-L538 HydrophobicContact CD2-CD2 4.4Å; L535-L538 PolarHBondContact O-N 3.43Å; L535-Q539 WeakPolarHBondContact O-CB 3.28Å; L535-Q539 PolarHBondContact O-N 3.44Å
536	T	86.2	Confident	84.9	Confident	72 Å²	72	54.3 Å²	54.3	44%	0.442	28%	0.281	S	S	.	.	H	α-helix	trans	-63.4	-42.5	175.4	-56.1	0	0	0	0	111.5	V532 Q539 H540	V532-T536 PolarHBondContact O-N 3.1Å; V532-T536 PolarHBondContact O-OG1 3.26Å; V532-T536 VanDerWaalsContact O-OG1 3.11Å; T536-Q539 PolarHBondContact O-N 3.34Å; T536-H540 WeakPolarHBondContact O-CB 3.32Å; T536-H540 PolarHBondContact O-N 3.13Å
537	A	85.8	Confident	85.5	Confident	15 Å²	15	51.1 Å²	51.1	12%	0.124	26%	0.262	C	S	.	.	H	α-helix	trans	-63.7	-42.1	174.7	0	0	0	0	0	112.2	Q533 H540 T541 F565 F566	Q533-A537 WeakPolarHBondContact O-CB 3.42Å; Q533-A537 PolarHBondContact O-N 3.4Å; Q533-A537 VanDerWaalsContact O-N 3.09Å; A537-H540 PolarHBondContact O-N 2.87Å; A537-T541 PolarHBondContact O-N 2.85Å; A537-F565 HydrophobicContact CB-CD2 4.12Å; A537-F565 HydrophobicContact CB-CE2 4.45Å; A537-F566 HydrophobicContact CB-CD2 3.75Å; A537-F566 HydrophobicContact CB-CE2 4.32Å
538	L	90.5	Very high	86.1	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-46.5	175	177.9	60.9	0	0	0	111.6	V418 T465 F495 F509 I534 L535 H540 T541 V542 F565	V418-L538 HydrophobicContact CB-CD1 3.98Å; V418-L538 HydrophobicContact CG1-CD1 4.41Å; V418-L538 HydrophobicContact CG2-CD1 4.01Å; T465-L538 HydrophobicContact CG2-CD1 3.76Å; T465-L538 HydrophobicContact CG2-CD2 4.01Å; T465-L538 WeakPolarHBondContact OG1-CD1 3.36Å; F495-L538 HydrophobicContact CE1-CD2 3.99Å; F495-L538 HydrophobicContact CZ-CD1 4.27Å; F495-L538 HydrophobicContact CZ-CD2 4.14Å; F495-L538 HydrophobicContact CZ-CG 4.27Å; F509-L538 HydrophobicContact CZ-CD2 4.2Å; I534-L538 VanDerWaalsContact O-CB 3.3Å; I534-L538 WeakPolarHBondContact O-CB 3.45Å; I534-L538 PolarHBondContact O-N 2.9Å; L535-L538 HydrophobicContact CD2-CD2 4.4Å; L535-L538 PolarHBondContact O-N 3.43Å; L538-H540 VanDerWaalsContact C-N 3.33Å; L538-H540 PolarHBondContact O-N 3.03Å; L538-T541 PolarHBondContact O-N 3.33Å; L538-V542 HydrophobicContact CD1-CG2 4.05Å; L538-V542 HydrophobicContact CG-CG2 4.49Å; L538-V542 WeakPolarHBondContact O-CB 3.44Å; L538-V542 VanDerWaalsContact O-CG2 3.27Å; L538-V542 WeakPolarHBondContact O-CG2 3.35Å; L538-V542 PolarHBondContact O-N 2.88Å; L538-F565 HydrophobicContact CB-CD2 4.09Å; L538-F565 HydrophobicContact CB-CE2 3.69Å; L538-F565 HydrophobicContact CB-CZ 4.12Å; L538-F565 HydrophobicContact CD1-CD1 4.26Å; L538-F565 HydrophobicContact CD1-CD2 4.47Å; L538-F565 HydrophobicContact CD1-CE1 4.08Å; L538-F565 HydrophobicContact CD1-CE2 4.3Å; L538-F565 HydrophobicContact CD1-CG 4.45Å; L538-F565 HydrophobicContact CD1-CZ 4.09Å
539	Q	90.5	Very high	86.7	Confident	58 Å²	58	43.5 Å²	43.5	27%	0.271	22%	0.222	S	C	.	.	H	α-helix	trans	-59.8	-44.6	177	-172.1	-174.9	53.2	0	0	110.9	P504 L535 T536 V542 R543	P504-Q539 PolarHBondContact O-NE2 2.85Å; L535-Q539 WeakPolarHBondContact O-CB 3.28Å; L535-Q539 PolarHBondContact O-N 3.44Å; T536-Q539 PolarHBondContact O-N 3.34Å; Q539-V542 PolarHBondContact O-N 3.35Å; Q539-R543 VanDerWaalsContact O-CB 3.29Å; Q539-R543 WeakPolarHBondContact O-CB 3.39Å; Q539-R543 PolarHBondContact O-N 2.84Å
540	H	87.1	Confident	87.1	Confident	106 Å²	106	45.4 Å²	45.4	49%	0.491	22%	0.218	S	C	.	.	H	α-helix	trans	-61.7	-47.7	178.3	-170.3	90.1	0	0	0	112.6	T536 A537 L538 R543 Q544	T536-H540 WeakPolarHBondContact O-CB 3.32Å; T536-H540 PolarHBondContact O-N 3.13Å; A537-H540 PolarHBondContact O-N 2.87Å; L538-H540 VanDerWaalsContact C-N 3.33Å; L538-H540 PolarHBondContact O-N 3.03Å; H540-R543 WeakPolarHBondContact O-CB 3.22Å; H540-R543 PolarHBondContact O-N 2.96Å; H540-Q544 PolarHBondContact CD2-NE2 3.34Å; H540-Q544 PolarHBondContact NE2-NE2 3.24Å; H540-Q544 WeakPolarHBondContact O-CG 3.31Å; H540-Q544 PolarHBondContact O-N 3.35Å
541	T	88.3	Confident	87.3	Confident	22 Å²	22	49.2 Å²	49.2	14%	0.135	24%	0.242	C	C	.	.	H	α-helix	trans	-70.1	-35.3	178.3	-64.2	0	0	0	0	112.5	V418 A537 L538 R543 Q544 M545 F565	V418-T541 HydrophobicContact CG1-CG2 4.26Å; A537-T541 PolarHBondContact O-N 2.85Å; L538-T541 PolarHBondContact O-N 3.33Å; T541-R543 VanDerWaalsContact C-N 3.33Å; T541-Q544 PolarHBondContact O-N 3.21Å; T541-M545 HydrophobicContact CG2-CE 4.28Å; T541-M545 WeakPolarHBondContact O-CG 3.41Å; T541-M545 PolarHBondContact O-N 2.85Å; T541-F565 HydrophobicContact CG2-CB 3.77Å; T541-F565 WeakPolarHBondContact OG1-CB 3.34Å
542	V	90.8	Very high	87.3	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.3	-39.1	172.5	175.1	0	0	0	0	110.9	V418 F463 F495 L538 Q539 M545 L546	V418-V542 HydrophobicContact CG2-CG2 4.19Å; F463-V542 HydrophobicContact CD1-CG1 4.34Å; F463-V542 HydrophobicContact CD1-CG2 4.16Å; F463-V542 HydrophobicContact CD2-CG1 4.05Å; F463-V542 HydrophobicContact CE1-CG1 3.95Å; F463-V542 HydrophobicContact CE1-CG2 4.36Å; F463-V542 HydrophobicContact CE2-CG1 3.66Å; F463-V542 HydrophobicContact CG-CG1 4.39Å; F463-V542 HydrophobicContact CG-CG2 4.4Å; F463-V542 HydrophobicContact CZ-CG1 3.61Å; F495-V542 HydrophobicContact CE2-CG1 4.39Å; F495-V542 HydrophobicContact CE2-CG2 4.07Å; F495-V542 HydrophobicContact CZ-CG2 3.96Å; L538-V542 HydrophobicContact CD1-CG2 4.05Å; L538-V542 HydrophobicContact CG-CG2 4.49Å; L538-V542 WeakPolarHBondContact O-CB 3.44Å; L538-V542 VanDerWaalsContact O-CG2 3.27Å; L538-V542 WeakPolarHBondContact O-CG2 3.35Å; L538-V542 PolarHBondContact O-N 2.88Å; Q539-V542 PolarHBondContact O-N 3.35Å; V542-M545 PolarHBondContact O-N 2.74Å; V542-L546 HydrophobicContact CG1-CD1 3.98Å; V542-L546 HydrophobicContact CG1-CG 4.3Å; V542-L546 WeakPolarHBondContact O-CG 3.48Å; V542-L546 PolarHBondContact O-N 2.88Å
543	R	89.8	Confident	87.3	Confident	125 Å²	125	52.8 Å²	52.8	47%	0.472	26%	0.261	S	S	.	.	H	α-helix	trans	-58.7	-47.6	172.8	-174.2	179.5	179.4	-168	-3.7	111.3	Q502 Q539 H540 T541 M545 L546 E547	Q502-R543 HydrophobicContact CB-CG 4.37Å; Q502-R543 WeakPolarHBondContact O-CB 3.26Å; Q539-R543 VanDerWaalsContact O-CB 3.29Å; Q539-R543 WeakPolarHBondContact O-CB 3.39Å; Q539-R543 PolarHBondContact O-N 2.84Å; H540-R543 WeakPolarHBondContact O-CB 3.22Å; H540-R543 PolarHBondContact O-N 2.96Å; T541-R543 VanDerWaalsContact C-N 3.33Å; R543-M545 PolarHBondContact O-N 2.97Å; R543-L546 PolarHBondContact O-N 3.48Å; R543-E547 WeakPolarHBondContact O-CB 3.36Å; R543-E547 PolarHBondContact O-N 3.49Å
544	Q	86.4	Confident	87.2	Confident	99 Å²	99	51.9 Å²	51.9	46%	0.463	26%	0.256	S	S	.	.	H	α-helix	trans	-59.4	-42.7	174.4	-71.8	176.3	-18.1	0	0	112.4	H540 T541 E547 L548	H540-Q544 PolarHBondContact CD2-NE2 3.34Å; H540-Q544 PolarHBondContact NE2-NE2 3.24Å; H540-Q544 WeakPolarHBondContact O-CG 3.31Å; H540-Q544 PolarHBondContact O-N 3.35Å; T541-Q544 PolarHBondContact O-N 3.21Å; Q544-E547 PolarHBondContact O-N 2.86Å; Q544-L548 WeakPolarHBondContact O-CB 3.42Å; Q544-L548 PolarHBondContact O-N 2.91Å
545	M	87.7	Confident	86.6	Confident	10 Å²	10	55.5 Å²	55.5	5%	0.049	29%	0.294	C	S	.	.	H	α-helix	trans	-62.6	-45.8	176.7	-74.7	178.8	168.2	0	0	112.4	V418 F463 T541 V542 R543 E547 L548 I549 Y563	V418-M545 HydrophobicContact CG1-CE 3.87Å; V418-M545 HydrophobicContact CG1-SD 4.38Å; F463-M545 HydrophobicContact CD1-SD 4.26Å; F463-M545 HydrophobicContact CE1-CB 4.33Å; F463-M545 HydrophobicContact CE1-SD 3.76Å; T541-M545 HydrophobicContact CG2-CE 4.28Å; T541-M545 WeakPolarHBondContact O-CG 3.41Å; T541-M545 PolarHBondContact O-N 2.85Å; V542-M545 PolarHBondContact O-N 2.74Å; R543-M545 PolarHBondContact O-N 2.97Å; M545-E547 VanDerWaalsContact C-N 3.33Å; M545-L548 PolarHBondContact O-N 3.45Å; M545-I549 WeakPolarHBondContact O-CD1 3.28Å; M545-I549 VanDerWaalsContact O-CG1 3.26Å; M545-I549 WeakPolarHBondContact O-CG1 3.29Å; M545-I549 PolarHBondContact O-N 2.98Å; M545-Y563 HydrophobicContact CE-CD1 4.02Å; M545-Y563 HydrophobicContact CE-CD2 3.42Å; M545-Y563 VanDerWaalsContact CE-CD2 3.42Å; M545-Y563 HydrophobicContact CE-CE2 4.22Å; M545-Y563 HydrophobicContact CE-CG 3.32Å
546	L	91.1	Very high	86	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-64.4	-40.1	178.5	-67.8	171.3	0	0	0	111.1	V461 F463 C497 L499 S501 V542 R543 I549 R550	V461-L546 HydrophobicContact CB-CD2 3.97Å; V461-L546 HydrophobicContact CG1-CD2 4.47Å; V461-L546 HydrophobicContact CG2-CD2 3.86Å; F463-L546 HydrophobicContact CE2-CD2 4.09Å; F463-L546 HydrophobicContact CE2-CG 4.46Å; F463-L546 HydrophobicContact CZ-CD2 3.82Å; F463-L546 HydrophobicContact CZ-CG 4.06Å; C497-L546 HydrophobicContact CB-CD1 3.95Å; L499-L546 HydrophobicContact CD1-CD2 4.16Å; S501-L546 WeakPolarHBondContact O-CD1 3.48Å; V542-L546 HydrophobicContact CG1-CD1 3.98Å; V542-L546 HydrophobicContact CG1-CG 4.3Å; V542-L546 WeakPolarHBondContact O-CG 3.48Å; V542-L546 PolarHBondContact O-N 2.88Å; R543-L546 PolarHBondContact O-N 3.48Å; L546-I549 PolarHBondContact O-N 2.92Å; L546-R550 WeakPolarHBondContact O-CG 3.44Å; L546-R550 PolarHBondContact O-N 3.29Å
547	E	87.9	Confident	85.5	Confident	76 Å²	76	54 Å²	54	36%	0.355	29%	0.288	S	S	.	.	H	α-helix	trans	-66.1	-39.5	175.2	-164	56.1	-118	0	0	112.6	R543 Q544 M545 I549 R550 T551	R543-E547 WeakPolarHBondContact O-CB 3.36Å; R543-E547 PolarHBondContact O-N 3.49Å; Q544-E547 PolarHBondContact O-N 2.86Å; M545-E547 VanDerWaalsContact C-N 3.33Å; E547-I549 VanDerWaalsContact C-N 3.28Å; E547-I549 PolarHBondContact O-N 2.76Å; E547-R550 PolarHBondContact O-N 3.24Å; E547-R550 IonicContact OE2-CZ 2.93Å; E547-R550 IonicContact OE2-NH1 2.66Å; E547-R550 PolarHBondContact OE2-NH1 3.07Å; E547-T551 WeakPolarHBondContact O-CB 3.4Å; E547-T551 WeakPolarHBondContact O-CG2 3.37Å; E547-T551 PolarHBondContact O-N 3.48Å; E547-T551 PolarHBondContact O-OG1 3.12Å
548	L	85.7	Confident	85	Confident	62 Å²	62	59.2 Å²	59.2	33%	0.325	31%	0.308	S	S	.	.	H	α-helix	trans	-64.7	-34.2	175.1	-163.3	70.2	0	0	0	111.8	Q544 M545 T551 K552 A556 V557	Q544-L548 WeakPolarHBondContact O-CB 3.42Å; Q544-L548 PolarHBondContact O-N 2.91Å; M545-L548 PolarHBondContact O-N 3.45Å; L548-T551 PolarHBondContact O-OG1 3.3Å; L548-K552 HydrophobicContact CD1-CD 3.84Å; L548-K552 HydrophobicContact CD1-CG 4.41Å; L548-K552 WeakPolarHBondContact O-CB 3.06Å; L548-K552 PolarHBondContact O-N 3.5Å; L548-A556 HydrophobicContact CD2-CB 4.02Å; L548-A556 HydrophobicContact CG-CB 3.8Å; L548-V557 HydrophobicContact CB-CG2 4.4Å; L548-V557 HydrophobicContact CD2-CG2 3.96Å
549	I	87.7	Confident	84.6	Confident	5 Å²	5	63.8 Å²	63.8	3%	0.026	33%	0.332	C	S	.	.	H	α-helix	trans	-72.5	-33.7	174.7	-66.6	164.5	0	0	0	111.7	I420 L499 M545 L546 E547 G553 F554 V557	I420-I549 HydrophobicContact CD1-CD1 3.61Å; L499-I549 HydrophobicContact CD1-CB 4.07Å; L499-I549 HydrophobicContact CD1-CG2 3.57Å; L499-I549 HydrophobicContact CD2-CG2 4.48Å; M545-I549 WeakPolarHBondContact O-CD1 3.28Å; M545-I549 VanDerWaalsContact O-CG1 3.26Å; M545-I549 WeakPolarHBondContact O-CG1 3.29Å; M545-I549 PolarHBondContact O-N 2.98Å; L546-I549 PolarHBondContact O-N 2.92Å; E547-I549 VanDerWaalsContact C-N 3.28Å; E547-I549 PolarHBondContact O-N 2.76Å; I549-G553 CarbonylContact O-C 3.6Å; I549-G553 WeakPolarHBondContact O-CA 3.49Å; I549-G553 PolarHBondContact O-N 3Å; I549-F554 HydrophobicContact CD1-CD1 4.38Å; I549-F554 HydrophobicContact CD1-CE1 4.36Å; I549-F554 HydrophobicContact CG1-CD1 4.47Å; I549-F554 HydrophobicContact CG2-CD1 3.54Å; I549-F554 HydrophobicContact CG2-CD2 4.19Å; I549-F554 HydrophobicContact CG2-CE1 3.42Å; I549-F554 VanDerWaalsContact CG2-CE1 3.42Å; I549-F554 HydrophobicContact CG2-CE2 4.09Å; I549-F554 HydrophobicContact CG2-CG 3.93Å; I549-F554 HydrophobicContact CG2-CZ 3.7Å; I549-V557 HydrophobicContact CD1-CB 4.22Å; I549-V557 HydrophobicContact CD1-CG2 4.11Å; I549-V557 HydrophobicContact CG1-CB 4.15Å; I549-V557 HydrophobicContact CG1-CG2 3.76Å
550	R	87.9	Confident	83.9	Confident	76 Å²	76	65.2 Å²	65.2	29%	0.287	34%	0.341	S	S	.	.	H	α-helix	trans	-64.9	-53.6	171.8	-68.2	166	-160.3	142.1	8.6	111.1	L499 S501 L546 E547	L499-R550 VanDerWaalsContact O-CZ 3.25Å; L499-R550 PolarHBondContact O-NE 3.38Å; L499-R550 PolarHBondContact O-NH2 2.89Å; S501-R550 PolarHBondContact O-NH2 3.07Å; L546-R550 WeakPolarHBondContact O-CG 3.44Å; L546-R550 PolarHBondContact O-N 3.29Å; E547-R550 PolarHBondContact O-N 3.24Å; E547-R550 IonicContact OE2-CZ 2.93Å; E547-R550 IonicContact OE2-NH1 2.66Å; E547-R550 PolarHBondContact OE2-NH1 3.07Å
551	T	85.7	Confident	83.4	Confident	91 Å²	91	62.7 Å²	62.7	56%	0.558	33%	0.334	S	S	*	.	H	α-helix	trans	-77	-31.1	-170.4	52	0	0	0	0	114.2	E547 L548	E547-T551 WeakPolarHBondContact O-CB 3.4Å; E547-T551 WeakPolarHBondContact O-CG2 3.37Å; E547-T551 PolarHBondContact O-N 3.48Å; E547-T551 PolarHBondContact O-OG1 3.12Å; L548-T551 PolarHBondContact O-OG1 3.3Å
552	K	84.4	Confident	83	Confident	153 Å²	153	64.5 Å²	64.5	67%	0.665	34%	0.342	S	S	*	.	H	α-helix	trans	-126.4	8	-175.3	-57.8	-174.4	-172.6	-179.7	0	113.7	L548 A556	L548-K552 HydrophobicContact CD1-CD 3.84Å; L548-K552 HydrophobicContact CD1-CG 4.41Å; L548-K552 WeakPolarHBondContact O-CB 3.06Å; L548-K552 PolarHBondContact O-N 3.5Å; K552-A556 HydrophobicContact CB-CB 3.61Å
553	G	82.8	Confident	82.5	Confident	30 Å²	30	67.8 Å²	67.8	31%	0.309	36%	0.355	S	S	.	.			trans	71.3	174.9	-179.3	0	0	0	0	0	114.1	I549 G555 A556	I549-G553 CarbonylContact O-C 3.6Å; I549-G553 WeakPolarHBondContact O-CA 3.49Å; I549-G553 PolarHBondContact O-N 3Å; G553-G555 PolarHBondContact O-N 3.3Å; G553-A556 PolarHBondContact O-N 3.17Å; G553-A556 VanDerWaalsContact O-N 3.09Å
554	F	80.5	Confident	82.1	Confident	83 Å²	83	65.3 Å²	65.3	36%	0.364	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-60.7	-15.7	178.5	-73.1	-75.8	0	0	0	114.6	V423 I459 V461 L499 I549 A556 V557	V423-F554 HydrophobicContact CB-CE1 4.25Å; V423-F554 HydrophobicContact CG1-CE1 3.7Å; V423-F554 HydrophobicContact CG1-CE2 4.48Å; V423-F554 HydrophobicContact CG1-CZ 3.65Å; V423-F554 HydrophobicContact CG2-CD1 3.92Å; V423-F554 HydrophobicContact CG2-CE1 3.52Å; V423-F554 HydrophobicContact CG2-CZ 4.35Å; I459-F554 HydrophobicContact CG2-CZ 4.02Å; V461-F554 HydrophobicContact CG2-CE1 4.25Å; L499-F554 HydrophobicContact CD2-CE2 4.33Å; L499-F554 HydrophobicContact CD2-CZ 3.98Å; I549-F554 HydrophobicContact CD1-CD1 4.38Å; I549-F554 HydrophobicContact CD1-CE1 4.36Å; I549-F554 HydrophobicContact CG1-CD1 4.47Å; I549-F554 HydrophobicContact CG2-CD1 3.54Å; I549-F554 HydrophobicContact CG2-CD2 4.19Å; I549-F554 HydrophobicContact CG2-CE1 3.42Å; I549-F554 VanDerWaalsContact CG2-CE1 3.42Å; I549-F554 HydrophobicContact CG2-CE2 4.09Å; I549-F554 HydrophobicContact CG2-CG 3.93Å; I549-F554 HydrophobicContact CG2-CZ 3.7Å; F554-A556 PolarHBondContact O-N 3.35Å; F554-V557 VanDerWaalsContact O-O 3.14Å
555	G	73.6	Confident	81.8	Confident	78 Å²	78	61.2 Å²	61.2	80%	0.804	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-67.2	-18.7	173.9	0	0	0	0	0	114.3	G553	G553-G555 PolarHBondContact O-N 3.3Å
556	A	76.5	Confident	80.8	Confident	36 Å²	36	62.3 Å²	62.3	30%	0.298	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-84.4	-15.2	-176.2	0	0	0	0	0	114.7	L548 K552 G553 F554	L548-A556 HydrophobicContact CD2-CB 4.02Å; L548-A556 HydrophobicContact CG-CB 3.8Å; K552-A556 HydrophobicContact CB-CB 3.61Å; G553-A556 PolarHBondContact O-N 3.17Å; G553-A556 VanDerWaalsContact O-N 3.09Å; F554-A556 PolarHBondContact O-N 3.35Å
557	V	74.3	Confident	78.8	Confident	7 Å²	7	67.6 Å²	67.6	4%	0.042	37%	0.373	C	S	.	.	S	Bend	trans	-128.5	119.6	175.2	-172	0	0	0	0	109.2	I420 L548 I549 F554 Y563	I420-V557 HydrophobicContact CD1-CB 4.1Å; I420-V557 HydrophobicContact CD1-CG1 3.53Å; I420-V557 HydrophobicContact CG1-CG1 4.28Å; L548-V557 HydrophobicContact CB-CG2 4.4Å; L548-V557 HydrophobicContact CD2-CG2 3.96Å; I549-V557 HydrophobicContact CD1-CB 4.22Å; I549-V557 HydrophobicContact CD1-CG2 4.11Å; I549-V557 HydrophobicContact CG1-CB 4.15Å; I549-V557 HydrophobicContact CG1-CG2 3.76Å; F554-V557 VanDerWaalsContact O-O 3.14Å; V557-Y563 HydrophobicContact CG1-CE2 3.71Å
558	K	75.8	Confident	76.3	Confident	125 Å²	125	68.3 Å²	68.3	54%	0.543	38%	0.384	S	S	.	.			trans	-75.4	132.4	-179.3	-70.2	-171.3	175.7	-171	0	110.8	T561 Y563	K558-T561 HydrophobicContact CB-CG2 4.47Å; K558-T561 WeakPolarHBondContact CB-OG1 3.33Å; K558-Y563 PolarHBondContact N-OH 3.37Å
559	L	81.4	Confident	73.7	Confident	98 Å²	98	69.2 Å²	69.2	51%	0.513	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	153.1	170.1	-59.2	178.7	0	0	0	111	I420 V423 T561	I420-L559 HydrophobicContact CB-CD2 4.05Å; I420-L559 HydrophobicContact CG2-CD2 3.48Å; I420-L559 VanDerWaalsContact CG2-CD2 3.48Å; V423-L559 HydrophobicContact CG2-CD2 4.2Å; L559-T561 PolarHBondContact O-N 2.88Å; L559-T561 PolarHBondContact O-OG1 3.35Å
560	D	77.6	Confident	70.8	Confident	88 Å²	88	73.6 Å²	73.6	47%	0.471	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	5.3	-176.8	-81.2	-73.4	0	0	0	116.9	R419 I420	R419-D560 IonicContact CZ-OD1 2.66Å; R419-D560 PolarHBondContact NH1-O 2.91Å; R419-D560 VanDerWaalsContact NH1-O 3.13Å; R419-D560 IonicContact NH1-OD1 3.85Å; R419-D560 PolarHBondContact NH1-OD1 3.47Å; R419-D560 IonicContact NH2-OD1 2.9Å; R419-D560 PolarHBondContact NH2-OD1 2.88Å; I420-D560 WeakPolarHBondContact O-CA 3.13Å; I420-D560 PolarHBondContact O-N 2.86Å
561	T	75.8	Confident	67.9	Low	53 Å²	53	76.7 Å²	76.7	33%	0.325	46%	0.46	S	S	.	.			trans	-85.1	128.5	-178.3	-60.8	0	0	0	0	111.4	R419 K558 L559 Y563	R419-T561 WeakPolarHBondContact CA-O 3.48Å; R419-T561 WeakPolarHBondContact CB-O 3.44Å; K558-T561 HydrophobicContact CB-CG2 4.47Å; K558-T561 WeakPolarHBondContact CB-OG1 3.33Å; L559-T561 PolarHBondContact O-N 2.88Å; L559-T561 PolarHBondContact O-OG1 3.35Å; T561-Y563 HydrophobicContact CG2-CD2 4.41Å; T561-Y563 HydrophobicContact CG2-CE2 3.93Å; T561-Y563 WeakPolarHBondContact O-CD2 3.31Å; T561-Y563 PolarHBondContact O-N 3.45Å
562	D	80.6	Confident	65.3	Low	59 Å²	59	77.7 Å²	77.7	32%	0.316	46%	0.461	S	S	.	.			trans	-73.6	115.3	175.1	-78.8	-8.9	0	0	0	111.2	H412 V417 R419	H412-D562 IonicContact CE1-OD2 3.68Å; H412-D562 IonicContact CG-OD2 4Å; H412-D562 IonicContact ND1-OD2 2.69Å; H412-D562 PolarHBondContact ND1-OD2 2.87Å; V417-D562 HydrophobicContact CB-CB 4.15Å; V417-D562 HydrophobicContact CG1-CB 4.22Å; R419-D562 WeakPolarHBondContact CD-OD1 3.03Å
563	Y	80.2	Confident	62.5	Low	70 Å²	70	77.4 Å²	77.4	28%	0.275	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	135.2	170.2	-65.7	-97.6	0	0	0	110.4	V417 V418 M545 V557 K558 T561	V417-Y563 CarbonylContact C-O 3.35Å; V417-Y563 VanDerWaalsContact CA-O 3.23Å; V417-Y563 WeakPolarHBondContact CA-O 3.17Å; V418-Y563 PolarHBondContact N-O 2.94Å; V418-Y563 WeakPolarHBondContact O-CB 3.2Å; V418-Y563 PolarHBondContact O-N 3.3Å; M545-Y563 HydrophobicContact CE-CD1 4.02Å; M545-Y563 HydrophobicContact CE-CD2 3.42Å; M545-Y563 VanDerWaalsContact CE-CD2 3.42Å; M545-Y563 HydrophobicContact CE-CE2 4.22Å; M545-Y563 HydrophobicContact CE-CG 3.32Å; V557-Y563 HydrophobicContact CG1-CE2 3.71Å; K558-Y563 PolarHBondContact N-OH 3.37Å; T561-Y563 HydrophobicContact CG2-CD2 4.41Å; T561-Y563 HydrophobicContact CG2-CE2 3.93Å; T561-Y563 WeakPolarHBondContact O-CD2 3.31Å; T561-Y563 PolarHBondContact O-N 3.45Å
564	V	80.8	Confident	59.7	Low	72 Å²	72	80 Å²	80	44%	0.436	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	127.2	176.8	178.6	0	0	0	0	109.7	F416 V417 F566	F416-V564 WeakPolarHBondContact O-CA 3.45Å; V417-V564 HydrophobicContact CG1-CG2 3.98Å; V564-F566 WeakPolarHBondContact CG1-O 3.36Å
565	F	80	Confident	57.1	Low	13 Å²	13	83.4 Å²	83.4	6%	0.057	49%	0.494	C	S	.	.			trans	-112.7	-7.5	-177.5	71.6	-91.2	0	0	0	114.6	F416 V418 T465 L467 I534 A537 L538 T541	F416-F565 HydrophobicContact CB-CD1 4.14Å; F416-F565 HydrophobicContact CB-CE1 3.72Å; F416-F565 HydrophobicContact CB-CE2 4.3Å; F416-F565 HydrophobicContact CB-CZ 3.82Å; F416-F565 HydrophobicContact CD1-CE2 4.49Å; F416-F565 AromaticContact CD1-CZ 3.99Å; F416-F565 HydrophobicContact CD1-CZ 3.99Å; F416-F565 HydrophobicContact CG-CZ 4.38Å; F416-F565 WeakPolarHBondContact O-CD1 3.26Å; F416-F565 PolarHBondContact O-N 2.99Å; V418-F565 HydrophobicContact CB-CD1 4.11Å; V418-F565 HydrophobicContact CG1-CB 4.21Å; V418-F565 HydrophobicContact CG1-CD1 3.91Å; V418-F565 HydrophobicContact CG1-CG 4.4Å; T465-F565 HydrophobicContact CG2-CE1 3.59Å; T465-F565 HydrophobicContact CG2-CZ 3.93Å; L467-F565 HydrophobicContact CD2-CE1 4.41Å; L467-F565 HydrophobicContact CD2-CZ 3.82Å; I534-F565 HydrophobicContact CG2-CE2 4.18Å; I534-F565 HydrophobicContact CG2-CZ 4.25Å; A537-F565 HydrophobicContact CB-CD2 4.12Å; A537-F565 HydrophobicContact CB-CE2 4.45Å; L538-F565 HydrophobicContact CB-CD2 4.09Å; L538-F565 HydrophobicContact CB-CE2 3.69Å; L538-F565 HydrophobicContact CB-CZ 4.12Å; L538-F565 HydrophobicContact CD1-CD1 4.26Å; L538-F565 HydrophobicContact CD1-CD2 4.47Å; L538-F565 HydrophobicContact CD1-CE1 4.08Å; L538-F565 HydrophobicContact CD1-CE2 4.3Å; L538-F565 HydrophobicContact CD1-CG 4.45Å; L538-F565 HydrophobicContact CD1-CZ 4.09Å; T541-F565 HydrophobicContact CG2-CB 3.77Å; T541-F565 WeakPolarHBondContact OG1-CB 3.34Å
566	F	66	Low	54.8	Low	34 Å²	34	88.3 Å²	88.3	15%	0.149	49%	0.49	C	S	.	.			trans	-136.5	119	176.6	-158.8	-96.6	0	0	0	107.8	F416 F530 I534 A537 V564 P568	F416-F566 HydrophobicContact CB-CB 3.67Å; F416-F566 HydrophobicContact CD2-CB 3.9Å; F416-F566 AromaticContact CD2-CD1 3.9Å; F416-F566 HydrophobicContact CD2-CD1 3.9Å; F416-F566 HydrophobicContact CD2-CG 4.26Å; F416-F566 HydrophobicContact CE2-CD1 4Å; F416-F566 HydrophobicContact CG-CB 3.78Å; F416-F566 HydrophobicContact CG-CD1 4.49Å; F416-F566 HydrophobicContact CG-CG 4.43Å; F530-F566 HydrophobicContact CE2-CE1 4.29Å; F530-F566 HydrophobicContact CE2-CZ 4.27Å; F530-F566 HydrophobicContact CZ-CE1 4.44Å; I534-F566 HydrophobicContact CD1-CB 4.37Å; I534-F566 HydrophobicContact CD1-CD1 3.77Å; I534-F566 HydrophobicContact CD1-CD2 3.54Å; I534-F566 HydrophobicContact CD1-CE1 3.83Å; I534-F566 HydrophobicContact CD1-CE2 3.61Å; I534-F566 HydrophobicContact CD1-CG 3.63Å; I534-F566 HydrophobicContact CD1-CZ 3.76Å; A537-F566 HydrophobicContact CB-CD2 3.75Å; A537-F566 HydrophobicContact CB-CE2 4.32Å; V564-F566 WeakPolarHBondContact CG1-O 3.36Å; F566-P568 HydrophobicContact CD2-CG 4.03Å; F566-P568 VanDerWaalsContact CE2-CD 3.45Å; F566-P568 HydrophobicContact CE2-CG 4.22Å
567	P	50.7	Low	52.5	Low	111 Å²	111	90.4 Å²	90.4	72%	0.721	51%	0.507	S	S	*	.				-137.4	115.5	66.9	34.3	-16.5	0	0	0	114.9
568	P	34.2	Very low	50.2	Low	90 Å²	90	101.5 Å²	101.5	58%	0.584	55%	0.548	S	S	*	.			trans	-119.6	57.7	-174	39.5	-24.2	0	0	0	113.5	F566	F566-P568 HydrophobicContact CD2-CG 4.03Å; F566-P568 VanDerWaalsContact CE2-CD 3.45Å; F566-P568 HydrophobicContact CE2-CG 4.22Å
569	A	30.8	Very low	47.9	Very low	82 Å²	82	106.8 Å²	106.8	68%	0.678	57%	0.565	S	S	*	*			trans	-160	148.3	167.5	0	0	0	0	0	111
570	A	27.7	Very low	45.3	Very low	97 Å²	97	112.6 Å²	112.6	80%	0.802	58%	0.58	S	S	*	*	S	Bend	trans	-85.2	-23.6	-175.1	0	0	0	0	0	114.8
571	D	26.8	Very low	42.8	Very low	141 Å²	141	114 Å²	114	75%	0.754	59%	0.594	S	S	*	*			trans	-108.4	33.8	-163.7	-70.9	-69.3	0	0	0	115.6
572	L	30	Very low	40.7	Very low	111 Å²	111	119.5 Å²	119.5	58%	0.581	62%	0.62	S	S	*	*			trans	-98.5	77.2	160.3	-71	-179	0	0	0	109.9
573	Q	25.6	Very low	38.2	Very low	147 Å²	147	121.3 Å²	121.3	69%	0.687	64%	0.637	S	S	*	*			trans	-40.8	130.1	167.4	-79.2	-77.7	-16.6	0	0	110.1	I575	Q573-I575 PolarHBondContact O-N 3.2Å; Q573-I575 VanDerWaalsContact O-N 3.12Å
574	P	25	Very low	35.5	Very low	85 Å²	85	124.3 Å²	124.3	55%	0.552	67%	0.669	S	S	*	*			trans	-61.1	123.5	171.4	26.9	-32.4	0	0	0	107.5	Y576	P574-Y576 VanDerWaalsContact C-N 3.28Å; P574-Y576 HydrophobicContact CG-CD2 4.47Å; P574-Y576 HydrophobicContact CG-CE2 4.13Å; P574-Y576 VanDerWaalsContact O-CD2 3.29Å; P574-Y576 WeakPolarHBondContact O-CD2 3.22Å; P574-Y576 PolarHBondContact O-N 3.04Å
575	I	25.9	Very low	33	Very low	155 Å²	155	125.6 Å²	125.6	80%	0.795	68%	0.681	S	S	*	*			trans	-60.3	102.3	166.7	-63.4	176.2	0	0	0	105.4	Q573 A577	Q573-I575 PolarHBondContact O-N 3.2Å; Q573-I575 VanDerWaalsContact O-N 3.12Å; I575-A577 PolarHBondContact O-N 2.7Å
576	Y	25.8	Very low	30.5	Very low	180 Å²	180	129.6 Å²	129.6	71%	0.706	71%	0.71	S	S	*	*			trans	-59.5	104.9	179.7	-85	-98	0	0	0	107.2	P574 R578	P574-Y576 VanDerWaalsContact C-N 3.28Å; P574-Y576 HydrophobicContact CG-CD2 4.47Å; P574-Y576 HydrophobicContact CG-CE2 4.13Å; P574-Y576 VanDerWaalsContact O-CD2 3.29Å; P574-Y576 WeakPolarHBondContact O-CD2 3.22Å; P574-Y576 PolarHBondContact O-N 3.04Å; Y576-R578 PolarHBondContact O-N 3.01Å
577	A	27.6	Very low	28.7	Very low	80 Å²	80	134.7 Å²	134.7	66%	0.661	74%	0.739	S	S	*	*			trans	-59.6	93.8	164.3	0	0	0	0	0	106.1	I575 R579	I575-A577 PolarHBondContact O-N 2.7Å; A577-R579 VanDerWaalsContact C-N 3.25Å; A577-R579 PolarHBondContact O-N 3.41Å
578	R	26.1	Very low	27.5	Very low	240 Å²	240	133.7 Å²	133.7	91%	0.906	75%	0.749	S	S	*	*			trans	-60.9	87.6	-170.2	-168.1	-175.5	-159.8	174.6	6.7	107.8	Y576 R580	Y576-R578 PolarHBondContact O-N 3.01Å; R578-R580 PolarHBondContact O-N 3.38Å
579	R	27.2	Very low	27.2	Very low	236 Å²	236	134 Å²	134	89%	0.891	75%	0.753	S	S	*	*			trans	-53.2	114.5	175.7	-76.8	-170.9	175.2	-164.1	-1	105.7	A577	A577-R579 VanDerWaalsContact C-N 3.25Å; A577-R579 PolarHBondContact O-N 3.41Å
580	R	27	Very low	27.1	Very low	220 Å²	220	138 Å²	138	83%	0.83	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-50.6	133.3	162.2	-75.5	179.9	172.6	164.8	-4.4	105.9	R578 L582	R578-R580 PolarHBondContact O-N 3.38Å; R580-L582 PolarHBondContact O-N 2.99Å
581	P	26.2	Very low	27.2	Very low	117 Å²	117	138.7 Å²	138.7	76%	0.76	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-55.8	118.8	161.3	26.1	-31.6	0	0	0	105.9	S583	P581-S583 PolarHBondContact O-N 3.42Å
582	L	30.8	Very low	27.2	Very low	170 Å²	170	143.4 Å²	143.4	89%	0.89	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-69.8	119	165.4	-75.7	175.5	0	0	0	105.5	R580 S584	R580-L582 PolarHBondContact O-N 2.99Å; L582-S584 PolarHBondContact O-N 3.27Å
583	S	27.9	Very low	27.3	Very low	96 Å²	96	144.1 Å²	144.1	67%	0.671	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-51	135.8	-175.7	-47.9	0	0	0	0	111	P581 S585	P581-S583 PolarHBondContact O-N 3.42Å; S583-S585 PolarHBondContact O-N 3.01Å
584	S	24.7	Very low	27.3	Very low	133 Å²	133	145.7 Å²	145.7	93%	0.93	78%	0.784	S	S	*	*	S	Bend	trans	-78.7	60.5	170.9	54.9	0	0	0	0	111	L582	L582-S584 PolarHBondContact O-N 3.27Å
585	S	26.8	Very low	27.4	Very low	99 Å²	99	144.8 Å²	144.8	69%	0.692	79%	0.791	S	S	*	*			trans	-166.5	138.3	170.5	50.7	0	0	0	0	109.3	S583	S583-S585 PolarHBondContact O-N 3.01Å
586	S	27	Very low	27.4	Very low	97 Å²	97	144.4 Å²	144.4	68%	0.678	79%	0.789	S	S	*	*			cis	-127.3	163.5	-8.2	55	0	0	0	0	110.6
587	D	29.6	Very low	27.6	Very low	142 Å²	142	141.4 Å²	141.4	76%	0.759	78%	0.782	S	S	*	*				162.1	102.8	125.6	-82.4	3.4	0	0	0	110.2
588	G	24.5	Very low	27.7	Very low	89 Å²	89	149.3 Å²	149.3	92%	0.918	79%	0.794	S	S	*	*			trans	-89.8	96.6	169.8	0	0	0	0	0	110.5
589	S	28	Very low	27.8	Very low	96 Å²	96	143.9 Å²	143.9	67%	0.671	78%	0.782	S	S	*	*			trans	-142.2	90.5	167.8	57.6	0	0	0	0	113.5
590	L	28.5	Very low	27.9	Very low	168 Å²	168	142.4 Å²	142.4	88%	0.88	78%	0.776	S	S	*	*			trans	75.5	135.7	151.1	-55.3	173.5	0	0	0	119.6
591	P	30.1	Very low	28.1	Very low	111 Å²	111	140.4 Å²	140.4	72%	0.721	78%	0.776	S	S	*	*			trans	-83.4	165.2	168.6	37.5	-36	0	0	0	111.7
592	R	26.6	Very low	28.2	Very low	239 Å²	239	142.9 Å²	142.9	90%	0.902	78%	0.778	S	S	*	*	S	Bend	trans	-67.7	151.2	153.5	-76.2	179.6	170.4	167.3	-3.4	109.4
593	V	31.8	Very low	28.2	Very low	126 Å²	126	142 Å²	142	76%	0.764	77%	0.773	S	S	*	*			trans	72.4	80.6	171.2	-161.2	0	0	0	0	114.8
594	M	26.8	Very low	28.3	Very low	180 Å²	180	146.7 Å²	146.7	89%	0.887	78%	0.784	S	S	*	*				-82.8	133	109.2	-70.9	-149.7	-56.5	0	0	107.5
595	G	26.9	Very low	28.7	Very low	67 Å²	67	146.9 Å²	146.9	69%	0.691	77%	0.774	S	S	*	*			trans	-101.9	87.2	173	0	0	0	0	0	109.9
596	L	26.3	Very low	28.8	Very low	146 Å²	146	150.7 Å²	150.7	76%	0.764	78%	0.781	S	S	*	*			trans	-158.4	175.4	173.3	-103.2	151.1	0	0	0	108.3	R598	L596-R598 PolarHBondContact O-N 2.97Å
597	E	30.3	Very low	29.2	Very low	118 Å²	118	149.8 Å²	149.8	55%	0.551	77%	0.773	S	S	*	*			trans	58.7	41.1	175.1	-107.6	60.9	-172.4	0	0	117.1	R600	E597-R600 HydrophobicContact CG-CG 4.25Å; E597-R600 IonicContact OE1-NE 3.55Å
598	R	28.6	Very low	29.4	Very low	245 Å²	245	151.1 Å²	151.1	93%	0.925	77%	0.772	S	S	*	*	S	Bend	trans	-100.8	22.7	149.1	-151.6	-160.8	-71.4	-165.8	-1.9	112.6	L596	L596-R598 PolarHBondContact O-N 2.97Å
599	I	29.3	Very low	29.8	Very low	127 Å²	127	152.8 Å²	152.8	65%	0.651	76%	0.76	S	S	*	*			trans	-134.2	88.7	175.1	-57.2	-179.4	0	0	0	106.7	E602	I599-E602 WeakPolarHBondContact CG2-O 3.27Å
600	R	28.1	Very low	30	Very low	204 Å²	204	156 Å²	156	77%	0.77	76%	0.764	S	S	*	*	S	Bend	trans	-138.9	41.1	172.5	-101.4	-168.1	-178.3	-146.9	-0.9	111.2	E597	E597-R600 HydrophobicContact CG-CG 4.25Å; E597-R600 IonicContact OE1-NE 3.55Å
601	H	30.8	Very low	30.1	Very low	178 Å²	178	151.8 Å²	151.8	82%	0.824	75%	0.749	S	S	*	*	S	Bend	trans	-165.2	129.8	161.4	-89.3	-66.8	0	0	0	103.7
602	E	28.5	Very low	30	Very low	169 Å²	169	155.3 Å²	155.3	79%	0.79	75%	0.753	S	S	*	*	S	Bend	trans	62.9	117.1	-163	-48.2	173.9	160.1	0	0	110.8	I599	I599-E602 WeakPolarHBondContact CG2-O 3.27Å
603	I	31.5	Very low	30.2	Very low	153 Å²	153	149.4 Å²	149.4	79%	0.785	74%	0.739	S	S	*	*			cis	-129.3	96.7	14.9	-58.8	165.3	0	0	0	108.9	N605	I603-N605 HydrophobicContact CG2-CB 4.09Å; I603-N605 PolarHBondContact O-N 3.31Å
604	E	29.3	Very low	30.2	Very low	193 Å²	193	148.3 Å²	148.3	90%	0.902	73%	0.733	S	S	*	*			trans	-84.9	94.1	156	-77.1	-174.6	123.4	0	0	107.7
605	N	33.1	Very low	30.5	Very low	137 Å²	137	147.8 Å²	147.8	73%	0.733	73%	0.726	S	S	*	*			trans	-159	92.5	168.7	-97.2	-41.2	0	0	0	110.8	I603	I603-N605 HydrophobicContact CG2-CB 4.09Å; I603-N605 PolarHBondContact O-N 3.31Å
606	E	30.3	Very low	30.6	Very low	180 Å²	180	151.5 Å²	151.5	84%	0.841	73%	0.729	S	S	*	*			trans	64.8	157.7	155.1	-74.4	-130.5	113.2	0	0	120.2
607	P	34.4	Very low	30.8	Very low	78 Å²	78	148.2 Å²	148.2	51%	0.506	72%	0.718	S	S	.	*			cis	-143.1	-174.8	-41.7	40.2	-23.8	0	0	0	114.6
608	K	33.7	Very low	30.8	Very low	170 Å²	170	150.8 Å²	150.8	74%	0.739	73%	0.73	S	S	*	*			trans	87.4	115	155.8	-69.2	158.8	-170.1	165.2	0	119.6
609	N	33	Very low	30.9	Very low	124 Å²	124	143.5 Å²	143.5	66%	0.663	72%	0.717	S	S	*	*			trans	69.8	138.3	137	-53.8	1.4	0	0	0	117.2
610	H	31.7	Very low	30.9	Very low	162 Å²	162	144.6 Å²	144.6	75%	0.75	72%	0.723	S	S	*	*			cis	-172.4	159.5	-8.5	-94.8	-37.3	0	0	0	104.2
611	S	30.4	Very low	30.9	Very low	81 Å²	81	140.2 Å²	140.2	57%	0.566	72%	0.715	S	S	*	*			cis	-177.4	136.8	-11.9	51.9	0	0	0	0	109.7
612	F	29.2	Very low	30.7	Very low	185 Å²	185	141.2 Å²	141.2	81%	0.811	71%	0.713	S	S	*	*			trans	62.4	159.2	149.2	-65.5	-49.3	0	0	0	119.1
613	N	31.1	Very low	30.7	Very low	115 Å²	115	138.8 Å²	138.8	62%	0.615	71%	0.71	S	S	*	*			cis	-160.2	140.9	-2.8	-129.4	-17.2	0	0	0	114
614	T	30.7	Very low	30.5	Very low	102 Å²	102	140.3 Å²	140.3	63%	0.626	71%	0.714	S	S	*	*			trans	52.1	171.4	145	53.5	0	0	0	0	120.5
615	K	33	Very low	30.4	Very low	170 Å²	170	140.5 Å²	140.5	74%	0.739	71%	0.712	S	S	*	*			cis	-141.2	144.5	11.9	-119.7	125.1	-177.8	-173.3	0	108.1
616	L	29.6	Very low	30.4	Very low	145 Å²	145	139.1 Å²	139.1	76%	0.759	71%	0.71	S	S	*	*				55.7	140.3	86.8	-61.3	-178.4	0	0	0	114.3
617	S	29.4	Very low	30.2	Very low	76 Å²	76	138.6 Å²	138.6	53%	0.531	71%	0.708	S	S	.	*			cis	-173.3	175.7	-1.5	40.2	0	0	0	0	112.3
618	E	30.5	Very low	29.8	Very low	173 Å²	173	142.3 Å²	142.3	81%	0.808	72%	0.718	S	S	*	*			trans	71	156.7	148.9	-78.6	151.5	140.8	0	0	118.4
619	S	31.5	Very low	29.4	Very low	92 Å²	92	138.3 Å²	138.3	64%	0.643	71%	0.712	S	S	*	*			cis	-158	144.5	7	16.8	0	0	0	0	113.1
620	L	28.9	Very low	29	Very low	150 Å²	150	138.1 Å²	138.1	79%	0.785	71%	0.714	S	S	*	*			trans	57.7	152.2	134.8	-51.7	173.8	0	0	0	119.4
621	N	27.9	Very low	28.7	Very low	111 Å²	111	141.6 Å²	141.6	59%	0.594	72%	0.721	S	S	*	*			cis	-171.3	161.2	-6	-114.9	-6.8	0	0	0	110.9
622	Y	27.2	Very low	28.5	Very low	199 Å²	199	142 Å²	142	78%	0.78	72%	0.724	S	S	*	*			trans	50.5	141.9	142.3	-75.6	-53.7	0	0	0	122
623	T	28.3	Very low	28.4	Very low	119 Å²	119	141.5 Å²	141.5	73%	0.73	72%	0.724	S	S	*	*			cis	-154	-175	-0.4	-44.9	0	0	0	0	109.9
624	E	27.7	Very low	28.3	Very low	185 Å²	185	143 Å²	143	86%	0.864	73%	0.729	S	S	*	*			trans	91.8	150.6	155.5	-66.6	-171.2	139	0	0	121
625	K	26	Very low	28.2	Very low	197 Å²	197	144.6 Å²	144.6	86%	0.857	73%	0.731	S	S	*	*			trans	-159.9	172.6	-176	-68	-174.8	177.2	179.9	0	106.1
626	P	34.8	Very low	28	Very low	107 Å²	107	140.9 Å²	140.9	70%	0.695	73%	0.727	S	S	*	*				-137.5	120.6	-54.3	36.1	-18.8	0	0	0	111.7
627	E	25.7	Very low	28	Very low	170 Å²	170	142 Å²	142	79%	0.794	73%	0.728	S	S	*	*			trans	-163.9	158.8	166	-121.6	175.9	-116.3	0	0	115.6
628	Q	25.4	Very low	28.1	Very low	156 Å²	156	142.8 Å²	142.8	73%	0.729	73%	0.734	S	S	*	*			trans	66.6	144.8	154.6	-63	179.6	40.2	0	0	123.6
629	S	24.8	Very low	28.1	Very low	86 Å²	86	142.9 Å²	142.9	60%	0.601	73%	0.734	S	S	*	*			trans	46.4	108.4	148	60.8	0	0	0	0	123.7
630	V	24.6	Very low	28.1	Very low	119 Å²	119	144.7 Å²	144.7	72%	0.721	74%	0.736	S	S	*	*				23	115	116.9	-174.9	0	0	0	0	119.3
631	W	25.1	Very low	28.2	Very low	236 Å²	236	143 Å²	143	89%	0.894	73%	0.728	S	S	*	*			trans	-150.2	138	139.8	-68.5	94.3	0	0	0	107.2
632	S	26.4	Very low	28.3	Very low	88 Å²	88	143.6 Å²	143.6	62%	0.615	73%	0.731	S	S	*	*			cis	87	94	12.9	-53.7	0	0	0	0	117.2
633	E	27.9	Very low	28.4	Very low	175 Å²	175	139.5 Å²	139.5	82%	0.818	73%	0.727	S	S	*	*			trans	-149.2	122.6	156.3	-90.9	-164	115.1	0	0	107.7
634	M	28.5	Very low	28.4	Very low	146 Å²	146	140 Å²	140	72%	0.719	73%	0.725	S	S	*	*				89.1	137.3	73.7	-80.7	-176.1	166.6	0	0	112.4
635	M	28.8	Very low	28.6	Very low	137 Å²	137	137 Å²	137	68%	0.675	72%	0.715	S	S	*	*			cis	-130.9	176.9	1	-62.9	-69	-162.8	0	0	109.6
636	S	29.6	Very low	28.7	Very low	92 Å²	92	133.4 Å²	133.4	64%	0.643	71%	0.71	S	S	*	*			cis	-145.2	151.4	8.3	-39.4	0	0	0	0	112.2
637	E	28.8	Very low	28.3	Very low	167 Å²	167	137.5 Å²	137.5	78%	0.78	72%	0.717	S	S	*	*				36.4	138.8	126.5	-66.6	152.3	-169.5	0	0	121
638	S	31.2	Very low	28.3	Very low	94 Å²	94	136.8 Å²	136.8	66%	0.657	72%	0.718	S	S	*	*			cis	-162.1	159.9	0.3	52.3	0	0	0	0	113.1
639	E	31.6	Very low	28.3	Very low	175 Å²	175	134.4 Å²	134.4	82%	0.818	72%	0.715	S	S	*	*			trans	46.3	137.2	133.4	-69.6	168.9	-154.8	0	0	122.2
640	D	30.3	Very low	28.2	Very low	130 Å²	130	137.5 Å²	137.5	70%	0.695	72%	0.724	S	S	*	*			cis	-169.6	175.1	-14.9	-149.8	1.6	0	0	0	113
641	N	30.6	Very low	28.2	Very low	113 Å²	113	137.1 Å²	137.1	60%	0.604	73%	0.727	S	S	*	*			trans	76	128.1	149.3	-75.9	-56.2	0	0	0	123.3
642	N	30.9	Very low	28.3	Very low	124 Å²	124	133.3 Å²	133.3	66%	0.663	72%	0.724	S	S	*	*			trans	79.2	101.2	137.1	-71.3	-10.6	0	0	0	120
643	T	28.6	Very low	28.4	Very low	114 Å²	114	133.9 Å²	133.9	70%	0.699	73%	0.727	S	S	*	*				82.6	140.6	89.7	62.8	0	0	0	0	113
644	D	29.8	Very low	28.2	Very low	128 Å²	128	132.6 Å²	132.6	68%	0.684	73%	0.725	S	S	*	*			cis	-160.5	174.8	19.3	-144.9	-9.3	0	0	0	114.5
645	N	30.3	Very low	28.2	Very low	123 Å²	123	131.6 Å²	131.6	66%	0.658	73%	0.729	S	S	*	*			trans	72.8	118.5	147.5	-76	-50.9	0	0	0	123.5
646	V	30	Very low	28	Very low	122 Å²	122	135.6 Å²	135.6	74%	0.739	74%	0.737	S	S	*	*				86.1	110.3	125.7	175.2	0	0	0	0	120.4
647	F	24.8	Very low	28	Very low	193 Å²	193	139.1 Å²	139.1	85%	0.846	75%	0.748	S	S	*	*			trans	-37.4	136.3	151.4	-68.3	-111.8	0	0	0	114.7
648	N	26.5	Very low	27.7	Very low	154 Å²	154	140.4 Å²	140.4	82%	0.824	75%	0.746	S	S	*	*				-157.3	166.7	111.7	-128.7	-49.3	0	0	0	114.2
649	T	24.8	Very low	27.5	Very low	106 Å²	106	141.2 Å²	141.2	65%	0.65	75%	0.749	S	S	*	*			trans	-94	172	-179.2	56.5	0	0	0	0	112.5
650	N	23.1	Very low	27.2	Very low	151 Å²	151	141.7 Å²	141.7	81%	0.807	74%	0.743	S	S	*	*			trans	75.9	62.3	166.5	-54.4	-37.5	0	0	0	118.8
651	S	24.4	Very low	26.9	Very low	112 Å²	112	140.3 Å²	140.3	78%	0.783	74%	0.74	S	S	*	*				-173.9	134.9	126.6	48.3	0	0	0	0	113
652	L	27.3	Very low	26.7	Very low	156 Å²	156	145.2 Å²	145.2	82%	0.817	75%	0.75	S	S	*	*				-174.3	123.5	124.7	-122.6	68	0	0	0	112.6
653	S	27.8	Very low	26.3	Very low	99 Å²	99	148.7 Å²	148.7	69%	0.692	76%	0.755	S	S	*	*			trans	27.1	108.1	151.8	57.6	0	0	0	0	120.8	P655	S653-P655 WeakPolarHBondContact O-CD 3.41Å
654	I	24.3	Very low	26.2	Very low	149 Å²	149	149.9 Å²	149.9	76%	0.764	75%	0.753	S	S	*	*			trans	-74.6	120.4	150.3	-58.9	167.9	0	0	0	108.6	R656	I654-R656 VanDerWaalsContact C-N 3.28Å; I654-R656 HydrophobicContact CG2-CG 4.29Å; I654-R656 PolarHBondContact O-N 2.93Å
655	P	28.5	Very low	26	Very low	125 Å²	125	148.3 Å²	148.3	81%	0.812	75%	0.752	S	S	*	*			trans	-75.9	80.7	167.5	31.5	-33.4	0	0	0	110.2	S653 N657	S653-P655 WeakPolarHBondContact O-CD 3.41Å; P655-N657 PolarHBondContact O-N 2.85Å; P655-N657 VanDerWaalsContact O-N 3.14Å
656	R	24.8	Very low	25.9	Very low	221 Å²	221	148.1 Å²	148.1	83%	0.834	76%	0.757	S	S	*	*			trans	-63.2	109.8	162.8	-82.2	179.3	169.6	167.9	-3.3	108.1	I654	I654-R656 VanDerWaalsContact C-N 3.28Å; I654-R656 HydrophobicContact CG2-CG 4.29Å; I654-R656 PolarHBondContact O-N 2.93Å
657	N	28.6	Very low	25.8	Very low	166 Å²	166	145.6 Å²	145.6	89%	0.888	76%	0.756	S	S	*	*			trans	-152.7	112.5	149.3	-98.8	-32.8	0	0	0	113.8	P655	P655-N657 PolarHBondContact O-N 2.85Å; P655-N657 VanDerWaalsContact O-N 3.14Å
658	R	24.5	Very low	26.1	Very low	194 Å²	194	144.6 Å²	144.6	73%	0.732	75%	0.754	S	S	*	*			trans	-75.5	-176.7	156.9	-104.9	-174.7	179.3	177	2.7	108.9
659	P	26	Very low	26.1	Very low	110 Å²	110	144.5 Å²	144.5	71%	0.714	75%	0.754	S	S	*	*			cis	-116.9	165.2	-5	27.7	-6.1	0	0	0	111.9
660	R	25	Very low	26.2	Very low	185 Å²	185	142.3 Å²	142.3	70%	0.698	74%	0.742	S	S	*	*				65.5	136.2	52.7	-127.1	-165.7	-164.2	-155	6.2	114
661	T	25.2	Very low	26.4	Very low	102 Å²	102	140 Å²	140	63%	0.626	73%	0.73	S	S	*	*			trans	50.2	109.1	160.3	49.7	0	0	0	0	119.6
662	W	25.1	Very low	26.6	Very low	215 Å²	215	140.2 Å²	140.2	81%	0.814	73%	0.731	S	S	*	*				-131.1	104.3	118.5	-84.3	86.7	0	0	0	109	Q664	W662-Q664 HydrophobicContact CE3-CB 4.4Å
663	Y	23.7	Very low	26.6	Very low	197 Å²	197	139.1 Å²	139.1	77%	0.773	73%	0.731	S	S	*	*			trans	-85.8	123.1	149.8	-101.9	-100.9	0	0	0	105.4
664	Q	25	Very low	26.4	Very low	139 Å²	139	138.6 Å²	138.6	65%	0.65	73%	0.727	S	S	*	*			trans	-146.6	102.9	159.1	-129.5	176.7	4.2	0	0	109.4	W662	W662-Q664 HydrophobicContact CE3-CB 4.4Å
665	S	26.7	Very low	26.4	Very low	95 Å²	95	137.8 Å²	137.8	66%	0.664	73%	0.731	S	S	*	*			trans	-64	139.5	164.5	-50.1	0	0	0	0	108.5	G667	S665-G667 VanDerWaalsContact C-N 3.31Å; S665-G667 PolarHBondContact O-N 3.2Å
666	P	27.6	Very low	26.4	Very low	119 Å²	119	136 Å²	136	77%	0.773	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	88.4	173	-16	30.1	0	0	0	110.1
667	G	27.9	Very low	26.3	Very low	69 Å²	69	133 Å²	133	71%	0.711	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	178.4	-3.4	-173.1	0	0	0	0	0	119	S665	S665-G667 VanDerWaalsContact C-N 3.31Å; S665-G667 PolarHBondContact O-N 3.2Å
668	Q	30.7	Very low	26.3	Very low	173 Å²	173	131.8 Å²	131.8	81%	0.808	71%	0.713	S	S	*	*			trans	-135.1	107.9	174.6	-73.7	-168.6	-15.2	0	0	112.8
669	N	26.8	Very low	26.3	Very low	152 Å²	152	130 Å²	130	81%	0.813	72%	0.717	S	S	*	*			trans	-85.7	129.4	164.5	-71.2	-16.2	0	0	0	109.6
670	S	27.6	Very low	26.5	Very low	59 Å²	59	131.3 Å²	131.3	41%	0.413	72%	0.723	S	S	.	*				-179.5	131.3	111.9	58.1	0	0	0	0	113.2	R436	R436-S670 PolarHBondContact NE-OG 2.72Å; R436-S670 PolarHBondContact NH2-OG 3.28Å
671	L	27.7	Very low	26.7	Very low	104 Å²	104	132.1 Å²	132.1	55%	0.545	73%	0.732	S	S	.	*			trans	56.6	85	146.9	-65.1	159.3	0	0	0	117.7	R436	R436-L671 HydrophobicContact CG-CD1 4.43Å
672	S	27.7	Very low	26.7	Very low	116 Å²	116	134 Å²	134	81%	0.811	74%	0.738	S	S	*	*				-134	139	124.8	61.1	0	0	0	0	110
673	T	27.8	Very low	27	Very low	133 Å²	133	130.4 Å²	130.4	82%	0.816	74%	0.735	S	S	*	*			trans	-80.8	132.5	-158.4	-47.3	0	0	0	0	113.1
674	S	23.4	Very low	27.1	Very low	87 Å²	87	125 Å²	125	61%	0.608	73%	0.726	S	S	*	*			trans	-66.7	136.7	163.6	-59.1	0	0	0	0	110.4	S676	S674-S676 PolarHBondContact O-N 3.42Å
675	P	24.6	Very low	27.4	Very low	132 Å²	132	124.7 Å²	124.7	86%	0.857	73%	0.729	S	S	*	*			trans	-75.3	64.8	169.2	33.2	-35.1	0	0	0	110.7	I677	P675-I677 PolarHBondContact O-N 2.7Å
676	S	27.6	Very low	27.4	Very low	89 Å²	89	128.9 Å²	128.9	62%	0.622	73%	0.731	S	S	*	*			trans	-77.1	111.1	168.6	-61.5	0	0	0	0	108.3	S674 I678	S674-S676 PolarHBondContact O-N 3.42Å; S676-I678 PolarHBondContact O-N 3.3Å; S676-I678 VanDerWaalsContact O-N 3.09Å
677	I	23.5	Very low	27.4	Very low	158 Å²	158	133.1 Å²	133.1	81%	0.81	73%	0.732	S	S	*	*			trans	-69.6	107.3	176.7	-58	174.4	0	0	0	108.3	P675 L679	P675-I677 PolarHBondContact O-N 2.7Å; I677-L679 HydrophobicContact CG2-CD1 4.4Å
678	I	29.3	Very low	27.3	Very low	139 Å²	139	135.7 Å²	135.7	71%	0.713	73%	0.728	S	S	*	*			trans	-126.4	124.2	167.5	-64	179.6	0	0	0	106.9	S676	S676-I678 PolarHBondContact O-N 3.3Å; S676-I678 VanDerWaalsContact O-N 3.09Å
679	L	22.9	Very low	27.2	Very low	158 Å²	158	134.4 Å²	134.4	83%	0.827	73%	0.727	S	S	*	*			trans	-80.7	123.7	171	-71.1	81.8	0	0	0	108.9	I677	I677-L679 HydrophobicContact CG2-CD1 4.4Å
680	T	30.9	Very low	27.1	Very low	136 Å²	136	135.3 Å²	135.3	83%	0.834	73%	0.726	S	S	*	*			trans	-139.1	129.6	154.7	0.1	0	0	0	0	108.6
681	K	29.1	Very low	27.2	Very low	202 Å²	202	140.4 Å²	140.4	88%	0.878	75%	0.747	S	S	*	*			trans	-93.8	156.8	-172.4	-155.1	176.5	-176.1	-177.8	0	110.2
682	N	25.6	Very low	27.1	Very low	141 Å²	141	140.9 Å²	140.9	75%	0.754	75%	0.754	S	S	*	*			trans	-43.6	142.1	-178.5	-49.8	-3.5	0	0	0	114.4
683	N	30.7	Very low	27.1	Very low	141 Å²	141	142 Å²	142	75%	0.754	75%	0.751	S	S	*	*				-160.9	136.2	102.5	-78.3	-16.3	0	0	0	105.8
684	S	26.8	Very low	27.1	Very low	84 Å²	84	140.7 Å²	140.7	59%	0.587	74%	0.743	S	S	*	*				57.1	121.3	66.4	105.4	0	0	0	0	110.6
685	D	29.8	Very low	27.3	Very low	132 Å²	132	142.8 Å²	142.8	71%	0.706	75%	0.752	S	S	*	*			cis	-150.1	176.1	25.5	-88.3	-66.3	0	0	0	116.2
686	Y	27	Very low	27.5	Very low	182 Å²	182	143.5 Å²	143.5	71%	0.714	74%	0.744	S	S	*	*			trans	-31.4	138.7	168.6	-69.2	-97.8	0	0	0	119.3
687	R	28	Very low	27.7	Very low	209 Å²	209	145 Å²	145	79%	0.789	75%	0.745	S	S	*	*			trans	67.1	158.1	134.7	-67.6	177.2	175.3	-163.3	2	117
688	I	25.1	Very low	28	Very low	123 Å²	123	143.2 Å²	143.2	63%	0.631	74%	0.737	S	S	*	*			cis	-158	157.2	-14.8	-115.1	168.7	0	0	0	108
689	N	30.1	Very low	28.2	Very low	145 Å²	145	143.1 Å²	143.1	78%	0.775	73%	0.733	S	S	*	*			trans	69.2	150.1	166.5	-73.1	2	0	0	0	121
690	E	24.3	Very low	28.4	Very low	172 Å²	172	144.1 Å²	144.1	80%	0.804	73%	0.727	S	S	*	*			trans	-63	153.1	172.2	-56.7	150.3	120	0	0	113
691	I	29.3	Very low	28.6	Very low	166 Å²	166	145.6 Å²	145.6	85%	0.851	72%	0.724	S	S	*	*				-168.2	157.6	108	-94	156.8	0	0	0	109.3
692	T	24.8	Very low	28.5	Very low	113 Å²	113	141.2 Å²	141.2	69%	0.693	72%	0.719	S	S	*	*			trans	-80.3	141.4	-179.6	45.9	0	0	0	0	113.5
693	D	29	Very low	28.9	Very low	139 Å²	139	141.8 Å²	141.8	74%	0.743	72%	0.72	S	S	*	*				-174.1	125.7	122.9	-92.5	-34.9	0	0	0	108.6
694	T	26.4	Very low	28.8	Very low	107 Å²	107	141.9 Å²	141.9	66%	0.656	72%	0.721	S	S	*	*				76.4	141.7	66.1	71.9	0	0	0	0	114.3
695	V	28.6	Very low	29.2	Very low	130 Å²	130	147.3 Å²	147.3	79%	0.788	73%	0.734	S	S	*	*			trans	69.5	137.9	170.2	-179	0	0	0	0	115.1
696	E	29.3	Very low	29.3	Very low	147 Å²	147	149 Å²	149	69%	0.687	74%	0.737	S	S	*	*			cis	-169	163.3	-21.4	-115.2	-179.7	-169.3	0	0	108
697	N	30.8	Very low	29.6	Very low	122 Å²	122	147.7 Å²	147.7	65%	0.652	74%	0.741	S	S	*	*			trans	60	161	146.1	-58.1	-8.1	0	0	0	119
698	D	30.4	Very low	29.7	Very low	119 Å²	119	144.2 Å²	144.2	64%	0.636	74%	0.738	S	S	*	*			cis	-158.7	168.3	-21	-121.3	-41.7	0	0	0	113.9
699	H	33.7	Very low	30.2	Very low	138 Å²	138	145.9 Å²	145.9	64%	0.639	75%	0.747	S	S	*	*			trans	62.6	130	143.6	-80.3	43.9	0	0	0	124.4
700	Y	27.8	Very low	30.3	Very low	179 Å²	179	146.1 Å²	146.1	70%	0.702	75%	0.748	S	S	*	*			trans	45.5	133.4	133	-71.9	-110.6	0	0	0	120.8
701	H	33.3	Very low	30.8	Very low	167 Å²	167	141.3 Å²	141.3	77%	0.773	74%	0.744	S	S	*	*				-166.5	152.4	62.3	-106.3	-74.5	0	0	0	113.4
702	S	27.9	Very low	31	Very low	110 Å²	110	140.7 Å²	140.7	77%	0.769	74%	0.743	S	S	*	*			trans	-84.8	147.3	162	-53.1	0	0	0	0	111.7
703	I	33.5	Very low	31.4	Very low	152 Å²	152	141.1 Å²	141.1	78%	0.779	74%	0.741	S	S	*	*			trans	-136.1	112.8	161.8	-64.7	-177.4	0	0	0	108.9
704	D	29.1	Very low	31.6	Very low	144 Å²	144	140.2 Å²	140.2	77%	0.77	74%	0.736	S	S	*	*			trans	-70	150.2	161.9	-74.2	-66.2	0	0	0	111
705	K	35.3	Very low	32	Very low	198 Å²	198	141.5 Å²	141.5	86%	0.861	74%	0.739	S	S	*	*			trans	-155.7	121.1	143.8	-115.4	156.1	-169.7	175.1	0	113.1
706	H	30.7	Very low	32.2	Very low	166 Å²	166	140.9 Å²	140.9	77%	0.769	73%	0.731	S	S	*	*			trans	-53.7	160.4	157.4	-60.5	-110.1	0	0	0	111
707	I	35.2	Very low	32.5	Very low	156 Å²	156	139.4 Å²	139.4	80%	0.8	73%	0.728	S	S	*	*				-168.7	139.8	113.4	-97.8	155.3	0	0	0	109.2
708	N	28.7	Very low	32.5	Very low	136 Å²	136	139.5 Å²	139.5	73%	0.727	73%	0.729	S	S	*	*			trans	-73.3	172.3	171.1	-58.8	-13.4	0	0	0	109.9
709	I	35.1	Very low	32.7	Very low	157 Å²	157	139 Å²	139	81%	0.805	73%	0.726	S	S	*	*				173.6	144.3	119.7	-90.1	154.9	0	0	0	110.2
710	D	32.7	Very low	32.6	Very low	151 Å²	151	139.6 Å²	139.6	81%	0.807	73%	0.727	S	S	*	*			trans	-72.1	171.7	178.9	-42.4	-94	0	0	0	112.8
711	G	35.8	Very low	32.8	Very low	70 Å²	70	137.5 Å²	137.5	72%	0.722	73%	0.728	S	S	*	*			trans	139.1	70.9	-171	0	0	0	0	0	110.7
712	D	33.7	Very low	32.6	Very low	153 Å²	153	135.8 Å²	135.8	82%	0.818	72%	0.723	S	S	*	*				60.5	134.7	69.1	-99.6	-6	0	0	0	115.5
713	N	32	Very low	32.6	Very low	122 Å²	122	140.1 Å²	140.1	65%	0.652	72%	0.724	S	S	*	*			trans	67.9	131.7	161.2	-81.6	39.3	0	0	0	122.9
714	D	33.6	Very low	32.2	Very low	121 Å²	121	143.4 Å²	143.4	65%	0.647	73%	0.728	S	S	*	*			trans	56.5	115.4	136.3	-52	-27.5	0	0	0	119.4
715	N	34.9	Very low	32.2	Very low	133 Å²	133	141.1 Å²	141.1	71%	0.711	72%	0.721	S	S	*	*				-158.1	141.7	85.3	-106.9	-88.1	0	0	0	113.3
716	N	33.1	Very low	31.8	Very low	118 Å²	118	139.1 Å²	139.1	63%	0.631	72%	0.716	S	S	*	*				21.9	137.9	124.6	-69.2	-49.8	0	0	0	118.4
717	N	34.5	Very low	31.4	Very low	116 Å²	116	135.4 Å²	135.4	62%	0.62	71%	0.709	S	S	*	*			cis	-163.3	-179.7	8.5	-130.8	-32.5	0	0	0	112.1
718	N	31.8	Very low	31	Very low	124 Å²	124	132.7 Å²	132.7	66%	0.663	70%	0.704	S	S	*	*			trans	6.3	133.4	139.8	-57.5	-29.1	0	0	0	116.2
719	D	33.5	Very low	30.7	Very low	108 Å²	108	130.5 Å²	130.5	58%	0.578	70%	0.7	S	S	*	*				-161.8	148.8	53.3	-129.9	-10.1	0	0	0	115.5
720	K	32.6	Very low	30.2	Very low	150 Å²	150	128.5 Å²	128.5	65%	0.652	70%	0.695	S	S	*	*			trans	47	138.7	140.1	-76.1	166.3	-168.4	85.2	0	121.2
721	N	30.9	Very low	29.9	Very low	135 Å²	135	126 Å²	126	72%	0.722	68%	0.68	S	S	*	*			trans	74.9	141.1	138.4	-69.3	0	0	0	0	118.3
722	I	29.4	Very low	29.5	Very low	132 Å²	132	129.2 Å²	129.2	68%	0.677	69%	0.686	S	S	*	*			cis	-161.6	165.7	-19.4	-137.6	166.2	0	0	0	108.3
723	Y	28.1	Very low	28.9	Very low	201 Å²	201	128.3 Å²	128.3	79%	0.788	68%	0.679	S	S	*	*			trans	69.3	106.3	164.9	-88.5	-140.4	0	0	0	120.1
724	Y	24.8	Very low	28.7	Very low	220 Å²	220	126.1 Å²	126.1	86%	0.863	67%	0.672	S	S	*	*				-66	170.7	114.4	-60.1	-96.5	0	0	0	109.7
725	P	29.7	Very low	28.5	Very low	96 Å²	96	124.8 Å²	124.8	62%	0.623	67%	0.672	S	S	*	*			cis	-110.3	-156.4	-12.6	24.8	-2.8	0	0	0	109.5
726	M	26.7	Very low	28.1	Very low	156 Å²	156	124.5 Å²	124.5	77%	0.768	67%	0.671	S	S	*	*				175.9	127.8	75	-107.1	-155.6	177.3	0	0	106.9
727	S	23.3	Very low	27.8	Very low	88 Å²	88	127.5 Å²	127.5	62%	0.615	68%	0.681	S	S	*	*				28.4	116.2	90.2	62.8	0	0	0	0	113.8
728	S	25.6	Very low	27.5	Very low	100 Å²	100	127.6 Å²	127.6	70%	0.699	69%	0.69	S	S	*	*				-169	163.8	73.9	-67.9	0	0	0	0	113
729	S	23.1	Very low	27.2	Very low	90 Å²	90	129.8 Å²	129.8	63%	0.629	70%	0.701	S	S	*	*			trans	-27.6	154.7	137.2	48.6	0	0	0	0	113.8
730	T	25.1	Very low	26.8	Very low	115 Å²	115	133.1 Å²	133.1	71%	0.706	71%	0.712	S	S	*	*				-166.5	123.3	78.8	-67.2	0	0	0	0	112.8
731	I	25.2	Very low	26.5	Very low	98 Å²	98	133.1 Å²	133.1	50%	0.503	72%	0.72	S	S	.	*			trans	32.9	110.5	143.2	-48.4	168.7	0	0	0	117.9	S165	S165-I731 WeakPolarHBondContact OG-CD1 3.41Å
732	V	27.6	Very low	26.4	Very low	137 Å²	137	132 Å²	132	83%	0.83	72%	0.718	S	S	*	*				-143.2	112	120.3	-173.8	0	0	0	0	110.8
733	I	22.4	Very low	26.1	Very low	134 Å²	134	130.7 Å²	130.7	69%	0.687	72%	0.719	S	S	*	*			trans	-127.1	139.8	151.9	-68.8	174.8	0	0	0	102	C163	C163-I733 PolarHBondContact SG-O 2.95Å
734	P	27.7	Very low	26	Very low	76 Å²	76	131.4 Å²	131.4	49%	0.494	72%	0.721	S	S	.	*			cis	-119.8	-168.4	28.8	39.2	-20.3	0	0	0	112.1	P162	P162-P734 HydrophobicContact CB-CG 4.45Å
735	S	27.7	Very low	26	Very low	94 Å²	94	126.5 Å²	126.5	66%	0.657	72%	0.717	S	S	*	*			cis	-164.6	152.7	28.2	55.1	0	0	0	0	116.5
736	N	27.4	Very low	25.8	Very low	127 Å²	127	126.3 Å²	126.3	68%	0.679	72%	0.718	S	S	*	*			trans	58.9	118	142.9	-62.2	-7.7	0	0	0	122.1
737	Q	26.9	Very low	25.8	Very low	181 Å²	181	124 Å²	124	85%	0.846	72%	0.717	S	S	*	*				59.9	126.8	128.2	-55.7	166.8	19.8	0	0	117.9
738	S	27.7	Very low	25.8	Very low	117 Å²	117	126.7 Å²	126.7	82%	0.818	73%	0.725	S	S	*	*			cis	-141.6	-174.4	31.9	65.3	0	0	0	0	113.6	Q740	S738-Q740 PolarHBondContact O-N 3.09Å
739	I	25.2	Very low	25.9	Very low	171 Å²	171	128 Å²	128	88%	0.877	73%	0.731	S	S	*	*			trans	-98.1	97.5	-161.2	-59.5	164.1	0	0	0	112.5
740	Q	24.9	Very low	26.1	Very low	177 Å²	177	129.2 Å²	129.2	83%	0.827	74%	0.735	S	S	*	*			trans	-145.6	125.8	151.4	-68.4	-166.5	6.2	0	0	109.5	S738	S738-Q740 PolarHBondContact O-N 3.09Å
741	N	26.7	Very low	26.1	Very low	150 Å²	150	131.1 Å²	131.1	80%	0.802	74%	0.736	S	S	*	*			trans	-154.4	128.6	175	-90.7	-41.7	0	0	0	107.1
742	T	28.3	Very low	26.1	Very low	112 Å²	112	136.2 Å²	136.2	69%	0.687	75%	0.75	S	S	*	*			cis	55.5	114.3	43.8	66.2	0	0	0	0	113.2
743	C	24.1	Very low	26	Very low	104 Å²	104	134.3 Å²	134.3	70%	0.703	74%	0.743	S	S	*	*			cis	83.4	149.9	43.7	-160.5	0	0	0	0	113.2
744	W	25	Very low	26.3	Very low	216 Å²	216	134.4 Å²	134.4	82%	0.818	74%	0.744	S	S	*	*			trans	67.9	155	-171.2	-45.3	86	0	0	0	112.8
745	C	25.1	Very low	26.2	Very low	118 Å²	118	140 Å²	140	80%	0.797	76%	0.756	S	S	*	*			cis	-124.5	161	12.2	-61.4	0	0	0	0	110.6
746	S	25.2	Very low	26.2	Very low	91 Å²	91	142.8 Å²	142.8	64%	0.636	76%	0.759	S	S	*	*			cis	86.3	89.7	19.5	81.3	0	0	0	0	117.7
747	S	26.8	Very low	26.3	Very low	107 Å²	107	145.4 Å²	145.4	75%	0.748	76%	0.764	S	S	*	*			trans	-172.1	145.5	160.2	50	0	0	0	0	109.5
748	N	25	Very low	26.2	Very low	146 Å²	146	142.2 Å²	142.2	78%	0.781	76%	0.762	S	S	*	*			cis	-145.3	142.7	-13.7	-87.2	-18.8	0	0	0	109.2
749	P	26.5	Very low	26.2	Very low	127 Å²	127	139.7 Å²	139.7	83%	0.825	75%	0.754	S	S	*	*			trans	-104.9	138.4	162.7	35.6	-27.3	0	0	0	111.8
750	T	27.4	Very low	26.3	Very low	115 Å²	115	139.4 Å²	139.4	71%	0.706	75%	0.749	S	S	*	*			trans	-137.6	118.5	-177.9	-29.6	0	0	0	0	111.6
751	Q	26	Very low	26.4	Very low	156 Å²	156	137.5 Å²	137.5	73%	0.729	74%	0.744	S	S	*	*			trans	35.7	135.7	149.3	-57.7	168	-11.5	0	0	119
752	Y	24.7	Very low	26.3	Very low	204 Å²	204	134 Å²	134	80%	0.8	73%	0.732	S	S	*	*			cis	-134.8	148.1	29.8	-77.6	-109.4	0	0	0	110.4
753	S	25	Very low	26.2	Very low	97 Å²	97	137.3 Å²	137.3	68%	0.678	74%	0.737	S	S	*	*				60.7	140	79.6	-127.3	0	0	0	0	114.4
754	L	28.7	Very low	26.4	Very low	137 Å²	137	139.6 Å²	139.6	72%	0.717	74%	0.741	S	S	*	*			cis	-164	111.9	22	-159.5	153	0	0	0	113.4
755	Y	25.7	Very low	26.5	Very low	192 Å²	192	133.3 Å²	133.3	75%	0.753	73%	0.73	S	S	*	*			trans	60	174.4	158.6	-65.1	-117.5	0	0	0	119
756	H	28.7	Very low	26.6	Very low	153 Å²	153	133.6 Å²	133.6	71%	0.708	73%	0.728	S	S	*	*			cis	-149.5	166.9	12.5	-138.9	-78.7	0	0	0	115.4
757	K	28.7	Very low	26.8	Very low	183 Å²	183	133.8 Å²	133.8	80%	0.796	73%	0.73	S	S	*	*			trans	-57.5	176.1	174	-66.9	170.8	-178.5	175.4	0	115.8
758	S	25.7	Very low	26.7	Very low	114 Å²	114	136.9 Å²	136.9	80%	0.797	73%	0.732	S	S	*	*			cis	173.8	149.9	-25.5	-178	0	0	0	0	110.3
759	G	26.8	Very low	26.8	Very low	63 Å²	63	136.9 Å²	136.9	65%	0.649	73%	0.731	S	S	*	*			trans	80.1	173	161.5	0	0	0	0	0	117.9
760	H	27.2	Very low	26.6	Very low	166 Å²	166	135.3 Å²	135.3	77%	0.769	73%	0.729	S	S	*	*			cis	-166	162.2	-15.4	-131.4	-88.3	0	0	0	111.2
761	N	26.8	Very low	26.5	Very low	136 Å²	136	137.9 Å²	137.9	73%	0.727	74%	0.736	S	S	*	*			trans	70.6	161.5	163	-57.5	-15.3	0	0	0	118.7
762	S	25.8	Very low	26.5	Very low	78 Å²	78	137.4 Å²	137.4	55%	0.545	74%	0.739	S	S	.	*				169.9	-173.6	-50.4	54.7	0	0	0	0	109.2
763	F	25.8	Very low	26.9	Very low	180 Å²	180	132.1 Å²	132.1	79%	0.789	73%	0.73	S	S	*	*			trans	76.5	146.2	171.7	-61.6	-60.7	0	0	0	116.4
764	L	28	Very low	26.8	Very low	152 Å²	152	134.7 Å²	134.7	80%	0.796	74%	0.736	S	S	*	*			cis	-156.1	165.8	-5.2	-93.8	149.8	0	0	0	106.5
765	S	27.1	Very low	26.8	Very low	84 Å²	84	135.7 Å²	135.7	59%	0.587	74%	0.74	S	S	*	*			cis	-177	172.8	-25.9	-156.6	0	0	0	0	111
766	T	26.8	Very low	26.8	Very low	124 Å²	124	134.2 Å²	134.2	76%	0.761	74%	0.74	S	S	*	*			trans	62.4	152.2	156.4	44	0	0	0	0	119
767	S	29.1	Very low	26.5	Very low	95 Å²	95	134 Å²	134	66%	0.664	74%	0.741	S	S	*	*			cis	-146.7	145.2	7.4	-14.7	0	0	0	0	109.5
768	Q	25.1	Very low	26.4	Very low	172 Å²	172	130.6 Å²	130.6	80%	0.804	73%	0.732	S	S	*	*				54.8	138	95.3	-70.8	-176.6	-4.5	0	0	115.6
769	I	26.9	Very low	26.4	Very low	146 Å²	146	134.9 Å²	134.9	75%	0.749	73%	0.732	S	S	*	*			cis	-147.2	168.4	14.5	-107.7	144.7	0	0	0	110.1
770	A	22.3	Very low	26.3	Very low	95 Å²	95	136.8 Å²	136.8	79%	0.785	74%	0.735	S	S	*	*			trans	-128	151.6	174.7	0	0	0	0	0	113.3
771	I	25.6	Very low	26.4	Very low	168 Å²	168	133.6 Å²	133.6	86%	0.862	73%	0.729	S	S	*	*			trans	-136.9	147.4	168.6	-63.1	179.2	0	0	0	108.4
772	N	25.4	Very low	26.2	Very low	147 Å²	147	137.7 Å²	137.7	79%	0.786	74%	0.736	S	S	*	*			trans	-126.9	-161.7	-172.6	-153.4	8.1	0	0	0	111
773	P	33.3	Very low	26.4	Very low	92 Å²	92	139.8 Å²	139.8	60%	0.597	75%	0.748	S	S	*	*				-116.7	177.5	-122.6	40.3	-23.3	0	0	0	114.5
774	N	23.7	Very low	26.2	Very low	152 Å²	152	140.1 Å²	140.1	81%	0.813	75%	0.754	S	S	*	*			trans	-179.9	-179.1	132	-104.4	-61.3	0	0	0	112.5
775	I	28.2	Very low	26.2	Very low	158 Å²	158	137.6 Å²	137.6	81%	0.81	76%	0.755	S	S	*	*			trans	77.2	138	172.5	-46.3	173.3	0	0	0	114.4
776	Q	24.9	Very low	26.1	Very low	161 Å²	161	140.5 Å²	140.5	75%	0.752	76%	0.764	S	S	*	*			cis	168.1	123.3	-49	170.5	176.7	7.1	0	0	108
777	M	22.6	Very low	26	Very low	147 Å²	147	140.2 Å²	140.2	72%	0.724	75%	0.754	S	S	*	*			trans	52	127.5	158	-58.5	-96.5	-77.6	0	0	120.4
778	N	27.1	Very low	25.8	Very low	112 Å²	112	145.1 Å²	145.1	60%	0.599	76%	0.758	S	S	*	*				168.2	146.2	107.9	-93.4	-29.3	0	0	0	115.7
779	Y	26.1	Very low	25.9	Very low	205 Å²	205	142.4 Å²	142.4	80%	0.804	76%	0.757	S	S	*	*			trans	52.3	154.5	146.7	-59.7	-45.6	0	0	0	120.9
780	S	24.1	Very low	26	Very low	102 Å²	102	147.6 Å²	147.6	71%	0.713	77%	0.767	S	S	*	*			cis	-162.4	-177.3	-15.1	-110.1	0	0	0	0	109.9
781	P	29.6	Very low	26.3	Very low	100 Å²	100	150.8 Å²	150.8	65%	0.649	77%	0.765	S	S	*	*			trans	-125.9	173	-148.2	45.4	-35.5	0	0	0	119
782	Y	23.6	Very low	26.3	Very low	221 Å²	221	149 Å²	149	87%	0.867	76%	0.758	S	S	*	*			trans	64.2	176.3	160.2	-77.8	-62.9	0	0	0	116.4
783	P	28.4	Very low	26.5	Very low	123 Å²	123	152.3 Å²	152.3	80%	0.799	77%	0.765	S	S	*	*			cis	-126	-152.7	4.5	44.5	-27.4	0	0	0	115.1
784	M	23	Very low	26.2	Very low	187 Å²	187	152.1 Å²	152.1	92%	0.921	77%	0.766	S	S	*	*			trans	-88.6	152.1	-175.4	-55.5	177.2	-177.2	0	0	114.7
785	A	27.5	Very low	26.5	Very low	98 Å²	98	152.3 Å²	152.3	81%	0.81	77%	0.765	S	S	*	*			trans	-161	127.7	144	0	0	0	0	0	106
786	D	25.8	Very low	26.5	Very low	146 Å²	146	150.8 Å²	150.8	78%	0.781	76%	0.759	S	S	*	*			cis	95.6	133.2	21.3	-153	32.7	0	0	0	116
787	E	24.2	Very low	26.7	Very low	118 Å²	118	149.6 Å²	149.6	55%	0.551	76%	0.763	S	S	*	*			trans	46.8	120.9	168.5	-66.8	-145.4	124.9	0	0	125.1
788	R	24.6	Very low	27	Very low	198 Å²	198	147.5 Å²	147.5	75%	0.747	76%	0.76	S	S	*	*			trans	83.6	159.8	131.9	-67.3	171.4	-167.4	-177.3	19.8	121.2
789	C	27	Very low	26.8	Very low	115 Å²	115	149.3 Å²	149.3	78%	0.777	77%	0.77	S	S	*	*			trans	66.3	140.6	-175.4	-61	0	0	0	0	114.7
790	W	29.5	Very low	27	Very low	254 Å²	254	149 Å²	149	96%	0.962	77%	0.772	S	S	*	*			cis	-122	160.8	19	-83.2	66.5	0	0	0	114.8
791	H	28.4	Very low	27.2	Very low	162 Å²	162	150.8 Å²	150.8	75%	0.75	77%	0.774	S	S	*	*			trans	-97.7	155.3	-173.5	-105	-52.6	0	0	0	114.3
792	N	26.2	Very low	27.1	Very low	132 Å²	132	152.7 Å²	152.7	71%	0.706	78%	0.777	S	S	*	*			trans	50.2	117.1	143.4	-61.1	-18.5	0	0	0	120.2
793	K	29.3	Very low	27.1	Very low	216 Å²	216	152.9 Å²	152.9	94%	0.939	78%	0.777	S	S	*	*				-140.6	123.5	110.1	-112.8	169.4	-174.7	175.7	0	111.2
794	S	25.5	Very low	26.9	Very low	87 Å²	87	151.9 Å²	151.9	61%	0.608	77%	0.773	S	S	*	*			trans	-85.9	157.6	177.2	175	0	0	0	0	110.7
795	I	30.5	Very low	27	Very low	156 Å²	156	151.4 Å²	151.4	80%	0.8	77%	0.773	S	S	*	*				-171.4	119.2	122.5	-92.7	150.2	0	0	0	110.6
796	N	29.2	Very low	26.9	Very low	127 Å²	127	150.3 Å²	150.3	68%	0.679	77%	0.771	S	S	*	*			trans	11.3	152.9	141.4	-46.2	-29	0	0	0	119.6
797	T	28.9	Very low	26.8	Very low	135 Å²	135	148.1 Å²	148.1	83%	0.828	77%	0.773	S	S	*	*			cis	-164	159.4	29.2	-22	0	0	0	0	110.6
798	P	28.5	Very low	27.1	Very low	103 Å²	103	147.7 Å²	147.7	67%	0.669	78%	0.781	S	S	*	*			trans	-109.6	167.4	-169.1	40.4	-33.9	0	0	0	116.7
799	N	23.9	Very low	27.2	Very low	151 Å²	151	149 Å²	149	81%	0.807	79%	0.787	S	S	*	*			trans	54.5	121.8	153.4	-69.4	-34.2	0	0	0	120.5
800	K	29.9	Very low	27.1	Very low	197 Å²	197	148.3 Å²	148.3	86%	0.857	78%	0.784	S	S	*	*				-174.9	136.3	126.9	-102.9	160.1	-175.5	176.4	0	115.9
801	L	27.7	Very low	26.9	Very low	141 Å²	141	142.1 Å²	142.1	74%	0.738	77%	0.774	S	S	*	*			trans	75.5	128	142.7	-62.4	167.1	0	0	0	123.1
802	L	28.1	Very low	26.7	Very low	139 Å²	139	140.3 Å²	140.3	73%	0.728	78%	0.777	S	S	*	*			trans	56.6	110.8	136.5	-58.2	172.6	0	0	0	119.1
803	R	23.3	Very low	26.7	Very low	225 Å²	225	140.2 Å²	140.2	85%	0.849	78%	0.781	S	S	*	*				77.7	108.6	73.7	-81.7	-162.8	-179.3	-158.7	3.7	115.9
804	S	23.9	Very low	26.5	Very low	103 Å²	103	134.4 Å²	134.4	72%	0.72	77%	0.768	S	S	*	*				92.2	145.2	129.3	77.4	0	0	0	0	121.5
805	L	24.8	Very low	26.7	Very low	176 Å²	176	136.3 Å²	136.3	92%	0.921	78%	0.778	S	S	*	*			trans	69.2	149.8	168.9	-52.1	173.1	0	0	0	115.8
806	G	25.1	Very low	26.5	Very low	75 Å²	75	133.6 Å²	133.6	77%	0.773	77%	0.768	S	S	*	*			trans	159	-6.9	172.3	0	0	0	0	0	122.5
807	A	24.9	Very low	26.4	Very low	100 Å²	100	138.7 Å²	138.7	83%	0.826	78%	0.778	S	S	*	*			trans	62	173.1	174.2	0	0	0	0	0	117
808	P	29.3	Very low	26.2	Very low	110 Å²	110	140.8 Å²	140.8	71%	0.714	78%	0.776	S	S	*	*			trans	-121.2	134.1	-166.7	37.7	-23.9	0	0	0	115.7
809	Y	26.8	Very low	26.2	Very low	225 Å²	225	142.9 Å²	142.9	88%	0.882	78%	0.78	S	S	*	*			trans	-142.6	136	164.2	-83.8	-72.3	0	0	0	115.1
810	S	24.5	Very low	26.5	Very low	100 Å²	100	143.5 Å²	143.5	70%	0.699	78%	0.78	S	S	*	*			trans	22.6	116.7	145.4	-53	0	0	0	0	120.8
811	T	25.4	Very low	26.4	Very low	124 Å²	124	137.4 Å²	137.4	76%	0.761	77%	0.773	S	S	*	*				-175.5	136.6	102	24.4	0	0	0	0	111.8	V813	T811-V813 PolarHBondContact O-N 3.12Å
812	P	25.3	Very low	26.4	Very low	125 Å²	125	139.7 Å²	139.7	81%	0.812	78%	0.78	S	S	*	*			trans	-81.6	105.9	165.4	31.7	-29.5	0	0	0	109.5	S814	P812-S814 PolarHBondContact O-N 2.91Å
813	V	26.6	Very low	26.3	Very low	130 Å²	130	138.5 Å²	138.5	79%	0.788	78%	0.783	S	S	*	*			trans	-68.1	124.7	172.5	-178	0	0	0	0	109.1	T811	T811-V813 PolarHBondContact O-N 3.12Å
814	S	24	Very low	26.6	Very low	94 Å²	94	134.4 Å²	134.4	66%	0.657	78%	0.783	S	S	*	*			trans	-61	153.8	-177.9	-62.4	0	0	0	0	112.9	P812 T816	P812-S814 PolarHBondContact O-N 2.91Å; S814-T816 PolarHBondContact O-N 3.31Å
815	P	29.6	Very low	26.9	Very low	127 Å²	127	136.8 Å²	136.8	83%	0.825	79%	0.788	S	S	*	*			trans	-62.5	111.4	170.7	-17.3	30.4	0	0	0	110.2	R817	P815-R817 PolarHBondContact O-N 3Å
816	T	27.3	Very low	27	Very low	98 Å²	98	136.6 Å²	136.6	60%	0.601	78%	0.783	S	S	*	*			trans	-65	105	-177.1	-52.5	0	0	0	0	110.8	S814 F818	S814-T816 PolarHBondContact O-N 3.31Å; T816-F818 HydrophobicContact CG2-CD2 3.78Å; T816-F818 HydrophobicContact CG2-CE1 4.27Å; T816-F818 HydrophobicContact CG2-CE2 3.47Å; T816-F818 VanDerWaalsContact CG2-CE2 3.47Å; T816-F818 HydrophobicContact CG2-CG 4.32Å; T816-F818 HydrophobicContact CG2-CZ 3.74Å; T816-F818 PolarHBondContact O-N 3.5Å
817	R	25.8	Very low	27.3	Very low	234 Å²	234	141 Å²	141	88%	0.883	79%	0.788	S	S	*	*			trans	-69	92.4	167.1	-74.4	-175.7	175.3	-178.3	0.2	109.3	P815 I819	P815-R817 PolarHBondContact O-N 3Å; R817-I819 VanDerWaalsContact C-N 3.3Å; R817-I819 PolarHBondContact O-N 2.74Å
818	F	25.9	Very low	27.4	Very low	179 Å²	179	144.7 Å²	144.7	79%	0.785	79%	0.789	S	S	*	*			trans	-72.3	90	163.4	-78.5	-71	0	0	0	110	T816 M820	T816-F818 HydrophobicContact CG2-CD2 3.78Å; T816-F818 HydrophobicContact CG2-CE1 4.27Å; T816-F818 HydrophobicContact CG2-CE2 3.47Å; T816-F818 VanDerWaalsContact CG2-CE2 3.47Å; T816-F818 HydrophobicContact CG2-CG 4.32Å; T816-F818 HydrophobicContact CG2-CZ 3.74Å; T816-F818 PolarHBondContact O-N 3.5Å; F818-M820 PolarHBondContact O-N 2.79Å
819	I	27.9	Very low	27.5	Very low	147 Å²	147	144.2 Å²	144.2	75%	0.754	79%	0.788	S	S	*	*			trans	-65.7	113.9	154.8	-59	174.7	0	0	0	105.5	R817 G821	R817-I819 VanDerWaalsContact C-N 3.3Å; R817-I819 PolarHBondContact O-N 2.74Å; I819-G821 PolarHBondContact O-N 2.75Å; I819-G821 VanDerWaalsContact O-N 3.13Å
820	M	30.3	Very low	27.7	Very low	165 Å²	165	139.7 Å²	139.7	81%	0.813	78%	0.779	S	S	*	*			trans	-66.3	111.7	166	-81.4	-175.7	-77.8	0	0	107.6	F818	F818-M820 PolarHBondContact O-N 2.79Å
821	G	27.6	Very low	28	Very low	68 Å²	68	140.7 Å²	140.7	70%	0.701	78%	0.776	S	S	*	*			trans	-64.2	151.8	175.1	0	0	0	0	0	111.3	I819	I819-G821 PolarHBondContact O-N 2.75Å; I819-G821 VanDerWaalsContact O-N 3.13Å
822	E	27	Very low	28.2	Very low	189 Å²	189	144.2 Å²	144.2	88%	0.883	78%	0.777	S	S	*	*			trans	-68.2	156.4	179.8	-69.6	161.3	129.5	0	0	111.7	T824	E822-T824 PolarHBondContact O-N 2.95Å; E822-T824 VanDerWaalsContact O-N 3.08Å
823	S	27.2	Very low	28.3	Very low	114 Å²	114	146.6 Å²	146.6	80%	0.797	78%	0.777	S	S	*	*			trans	-70.4	101.5	-176.1	52.6	0	0	0	0	112	N825	S823-N825 PolarHBondContact O-N 2.72Å; S823-N825 VanDerWaalsContact O-N 3.16Å
824	T	28.9	Very low	28.4	Very low	139 Å²	139	144 Å²	144	85%	0.853	77%	0.77	S	S	*	*			trans	-69.6	103.6	161.5	24.3	0	0	0	0	109.9	E822 Q826	E822-T824 PolarHBondContact O-N 2.95Å; E822-T824 VanDerWaalsContact O-N 3.08Å; T824-Q826 PolarHBondContact O-N 3.04Å
825	N	30.6	Very low	28.7	Very low	154 Å²	154	146.4 Å²	146.4	82%	0.824	78%	0.775	S	S	*	*			trans	-59.7	133.3	160.9	-85.4	-31.4	0	0	0	108.9	S823	S823-N825 PolarHBondContact O-N 2.72Å; S823-N825 VanDerWaalsContact O-N 3.16Å
826	Q	27.3	Very low	28.8	Very low	172 Å²	172	147 Å²	147	80%	0.804	77%	0.772	S	S	*	*			trans	-69.3	138.9	172.4	-65.4	179.2	-7.5	0	0	109.9	T824	T824-Q826 PolarHBondContact O-N 3.04Å
827	N	30.6	Very low	28.9	Very low	167 Å²	167	149.1 Å²	149.1	89%	0.893	78%	0.779	S	S	*	*			trans	-138.3	153	136	-101.5	-34.1	0	0	0	108.6
828	Q	28.3	Very low	29.1	Very low	178 Å²	178	146.2 Å²	146.2	83%	0.832	78%	0.775	S	S	*	*			trans	-91.8	-175.9	-162.7	-62	172.3	-9.1	0	0	112.3
829	S	30.7	Very low	29.1	Very low	100 Å²	100	143.1 Å²	143.1	70%	0.699	77%	0.773	S	S	*	*			trans	101.3	86.2	156.3	-157.7	0	0	0	0	117.3
830	N	31.1	Very low	29	Very low	129 Å²	129	141.8 Å²	141.8	69%	0.69	78%	0.776	S	S	*	*				68.2	124.9	117.8	-70	40	0	0	0	121.8
831	D	31.3	Very low	28.9	Very low	121 Å²	121	138.5 Å²	138.5	65%	0.647	78%	0.775	S	S	*	*				82.9	113.4	123.2	-59.3	-18.4	0	0	0	122.5
832	Y	27.8	Very low	28.9	Very low	198 Å²	198	140 Å²	140	78%	0.776	78%	0.775	S	S	*	*			trans	62.9	109.8	136.8	-74	-96.2	0	0	0	122.1
833	E	29.3	Very low	29	Very low	175 Å²	175	136.3 Å²	136.3	82%	0.818	77%	0.766	S	S	*	*			trans	76.6	148.9	131.2	-75.3	-169.6	121.5	0	0	123.8
834	A	28.7	Very low	28.9	Very low	77 Å²	77	139 Å²	139	64%	0.636	77%	0.766	S	S	*	*			trans	61.9	95.1	147.6	0	0	0	0	0	120.7
835	N	30	Very low	29	Very low	144 Å²	144	141 Å²	141	77%	0.77	77%	0.767	S	S	*	*				71.3	127.4	123.5	-61.2	-26.9	0	0	0	121.5
836	N	30.7	Very low	28.9	Very low	140 Å²	140	139.7 Å²	139.7	75%	0.749	77%	0.765	S	S	*	*			trans	81.1	128.1	137.2	-70.3	-17.1	0	0	0	121.8
837	L	30.4	Very low	29.1	Very low	142 Å²	142	135.1 Å²	135.1	74%	0.743	76%	0.764	S	S	*	*			trans	71.5	91.3	140.1	-64.3	168.9	0	0	0	119.9
838	Q	28.4	Very low	29.1	Very low	173 Å²	173	135.9 Å²	135.9	81%	0.808	76%	0.759	S	S	*	*				82.5	128.2	118	-160	166	-17.2	0	0	118.2
839	P	27.3	Very low	29.1	Very low	114 Å²	114	134.7 Å²	134.7	74%	0.74	76%	0.758	S	S	*	*			trans	-100.5	156.2	-170.7	38.6	-35.7	0	0	0	114.4
840	S	25.9	Very low	29.1	Very low	118 Å²	118	138.6 Å²	138.6	83%	0.825	77%	0.765	S	S	*	*			trans	-172	142.7	144	-84.9	0	0	0	0	112.4
841	A	28.3	Very low	28.8	Very low	96 Å²	96	143.8 Å²	143.8	79%	0.793	78%	0.775	S	S	*	*			trans	62.5	154.9	155.8	0	0	0	0	0	119.1
842	S	27	Very low	28.6	Very low	99 Å²	99	143.9 Å²	143.9	69%	0.692	78%	0.782	S	S	*	*			cis	-170.5	164	-26.4	53.7	0	0	0	0	110.1
843	T	29	Very low	28.8	Very low	113 Å²	113	143.8 Å²	143.8	69%	0.693	79%	0.786	S	S	*	*			trans	80.4	128.7	151.6	-49.7	0	0	0	0	119.2
844	E	25.8	Very low	28.5	Very low	170 Å²	170	143 Å²	143	79%	0.794	79%	0.787	S	S	*	*			trans	4	144.2	151.8	-50	169.8	117.3	0	0	120.9
845	M	30.8	Very low	28.6	Very low	180 Å²	180	145.1 Å²	145.1	89%	0.887	79%	0.794	S	S	*	*				-168.6	157.2	105.7	-101.4	-70	-112.9	0	0	113.6
846	V	27.8	Very low	28.5	Very low	127 Å²	127	143.6 Å²	143.6	77%	0.77	80%	0.795	S	S	*	*			trans	-88.2	133	-172.5	173.8	0	0	0	0	112.5
847	G	31.6	Very low	28.5	Very low	76 Å²	76	143 Å²	143	78%	0.784	80%	0.798	S	S	*	*			trans	-120.6	137.9	166.2	0	0	0	0	0	111.8
848	K	31	Very low	28.4	Very low	183 Å²	183	144.5 Å²	144.5	80%	0.796	80%	0.802	S	S	*	*			trans	-112.5	156.1	-175.2	-82.1	179	174.9	174.1	0	112.4
849	L	27.2	Very low	28.2	Very low	153 Å²	153	146.1 Å²	146.1	80%	0.801	80%	0.802	S	S	*	*			trans	68.6	156.2	157	-102.4	61.8	0	0	0	115.1
850	E	31.3	Very low	28.4	Very low	182 Å²	182	149 Å²	149	85%	0.85	81%	0.81	S	S	*	*			cis	-126.5	-173.2	7.8	-67.9	-167.1	116.5	0	0	113.6
851	R	25	Very low	28.6	Very low	239 Å²	239	151.5 Å²	151.5	90%	0.902	81%	0.809	S	S	*	*			trans	-148.3	125.6	-175	-176.3	-164.2	-160.3	-178.2	9.6	112.5
852	P	28	Very low	28.4	Very low	122 Å²	122	152.5 Å²	152.5	79%	0.792	81%	0.81	S	S	*	*			trans	-119.4	114.1	165.3	19.9	0.3	0	0	0	114.5
853	K	31.2	Very low	28.7	Very low	197 Å²	197	152.8 Å²	152.8	86%	0.857	81%	0.808	S	S	*	*			trans	43.5	123.5	139.9	-60.3	175.2	-179.2	175.3	0	121.5
854	N	23.6	Very low	28.8	Very low	158 Å²	158	150.9 Å²	150.9	85%	0.845	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-60.8	154.6	159.1	-76.4	2	0	0	0	113
855	P	30.6	Very low	29.2	Very low	122 Å²	122	148.7 Å²	148.7	79%	0.792	80%	0.797	S	S	*	*	P	Polyproline II helix		-102.3	161.6	129.8	-9.6	28.4	0	0	0	112.3
856	S	28.3	Very low	29.4	Very low	111 Å²	111	143.1 Å²	143.1	78%	0.776	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-83.2	159.5	176.2	46.3	0	0	0	0	113
857	P	30.7	Very low	29.6	Very low	127 Å²	127	143.6 Å²	143.6	83%	0.825	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-89.5	124.3	-171.6	33.6	-33.2	0	0	0	113.7
858	E	27.6	Very low	29.8	Very low	174 Å²	174	147.4 Å²	147.4	81%	0.813	77%	0.767	S	S	*	*			trans	-144.6	144.1	162.2	-101.3	-177	163.1	0	0	110.8
859	Y	25.1	Very low	30	Very low	207 Å²	207	145.1 Å²	145.1	81%	0.812	76%	0.757	S	S	*	*			trans	36.9	92.8	164.6	-71.1	-91.5	0	0	0	120
860	L	30.4	Very low	30.5	Very low	175 Å²	175	146.4 Å²	146.4	92%	0.916	75%	0.751	S	S	*	*			trans	-131	142.1	143	-80.6	179.8	0	0	0	110.8
861	Q	29.8	Very low	31.3	Very low	171 Å²	171	141.7 Å²	141.7	80%	0.799	73%	0.732	S	S	*	*			trans	-86.8	145.1	-158.4	-73	159.5	-62.2	0	0	115.2	T863	Q861-T863 PolarHBondContact O-N 2.89Å
862	S	25.5	Very low	32.2	Very low	117 Å²	117	136.6 Å²	136.6	82%	0.818	71%	0.714	S	S	*	*			trans	-80.4	71.3	-172.2	-47.8	0	0	0	0	114.3
863	T	32.2	Very low	33	Very low	105 Å²	105	135 Å²	135	64%	0.644	70%	0.698	S	S	*	*			trans	-101	-34.1	-176	-33.5	0	0	0	0	114.4	Q861 N865 S866	Q861-T863 PolarHBondContact O-N 2.89Å; T863-N865 VanDerWaalsContact C-N 3.32Å; T863-N865 PolarHBondContact O-N 3.32Å; T863-S866 PolarHBondContact O-OG 3.03Å
864	A	32	Very low	33.9	Very low	72 Å²	72	128.8 Å²	128.8	60%	0.595	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-65.1	-25.9	-171.7	0	0	0	0	0	115.3	S866 E867	A864-S866 PolarHBondContact O-N 3.12Å; A864-E867 PolarHBondContact O-N 3.25Å
865	N	34.5	Very low	35.2	Very low	125 Å²	125	127.3 Å²	127.3	67%	0.668	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-72.6	3	-172.7	-69.1	-14.8	0	0	0	114.8	T863	T863-N865 VanDerWaalsContact C-N 3.32Å; T863-N865 PolarHBondContact O-N 3.32Å
866	S	33.8	Very low	36.1	Very low	63 Å²	63	123.6 Å²	123.6	44%	0.441	64%	0.639	S	S	.	*	G	3₁₀ helix	trans	-93.3	-35.8	178.7	63.7	0	0	0	0	113.2	T863 A864 K869 R870	T863-S866 PolarHBondContact O-OG 3.03Å; A864-S866 PolarHBondContact O-N 3.12Å; S866-K869 PolarHBondContact O-N 3.2Å; S866-R870 PolarHBondContact O-N 2.93Å; S866-R870 VanDerWaalsContact O-N 3.12Å
867	E	32.7	Very low	37.1	Very low	137 Å²	137	121 Å²	121	64%	0.64	62%	0.616	S	S	*	*	H	α-helix	trans	-75.3	-51.4	-173.5	-62.7	-173.1	130.3	0	0	111.9	A864 K869 R870 D871	A864-E867 PolarHBondContact O-N 3.25Å; E867-K869 PolarHBondContact O-N 2.99Å; E867-R870 WeakPolarHBondContact O-CB 3.49Å; E867-R870 PolarHBondContact O-N 3.48Å; E867-D871 PolarHBondContact O-N 3.46Å
868	Q	35.3	Very low	38.1	Very low	155 Å²	155	120.4 Å²	120.4	72%	0.724	60%	0.602	S	S	*	*	H	α-helix	trans	-52	-30.3	171.6	-77.5	-171.2	-17.4	0	0	112.9	D871 Y872	Q868-D871 WeakPolarHBondContact O-CB 3.46Å; Q868-Y872 PolarHBondContact O-N 3.48Å
869	K	36.1	Very low	39.2	Very low	135 Å²	135	118 Å²	118	59%	0.587	59%	0.59	S	S	*	*	H	α-helix	trans	-84.4	-23.1	-178.1	-150.5	152.8	-168.7	153.1	0	113.3	S866 E867	S866-K869 PolarHBondContact O-N 3.2Å; E867-K869 PolarHBondContact O-N 2.99Å
870	R	37.2	Very low	40.3	Very low	181 Å²	181	108.8 Å²	108.8	68%	0.683	56%	0.555	S	S	*	*	H	α-helix	trans	-71.8	-48.2	162.3	-76	-179.7	173.5	153.4	-3.4	110.2	S866 E867 Y872 L873 S874	S866-R870 PolarHBondContact O-N 2.93Å; S866-R870 VanDerWaalsContact O-N 3.12Å; E867-R870 WeakPolarHBondContact O-CB 3.49Å; E867-R870 PolarHBondContact O-N 3.48Å; R870-Y872 VanDerWaalsContact C-N 3.26Å; R870-Y872 PolarHBondContact O-N 2.82Å; R870-L873 WeakPolarHBondContact O-CA 3.34Å; R870-L873 WeakPolarHBondContact O-CB 3.37Å; R870-L873 PolarHBondContact O-N 2.84Å; R870-S874 PolarHBondContact O-N 2.85Å; R870-S874 PolarHBondContact O-OG 2.61Å
871	D	47.2	Very low	41.2	Very low	82 Å²	82	101.5 Å²	101.5	44%	0.439	52%	0.519	S	S	.	.	H	α-helix	trans	-49.7	-43.8	-178.9	-122	44.4	0	0	0	113.4	E867 Q868 S874 K875	E867-D871 PolarHBondContact O-N 3.46Å; Q868-D871 WeakPolarHBondContact O-CB 3.46Å; D871-S874 PolarHBondContact O-N 2.67Å; D871-K875 WeakPolarHBondContact O-CB 3.45Å; D871-K875 WeakPolarHBondContact O-CD 3.4Å; D871-K875 VanDerWaalsContact O-CG 3.27Å; D871-K875 WeakPolarHBondContact O-CG 3.36Å; D871-K875 PolarHBondContact O-N 2.85Å; D871-K875 IonicContact OD2-NZ 3.17Å; D871-K875 PolarHBondContact OD2-NZ 3.5Å
872	Y	44.2	Very low	42.4	Very low	133 Å²	133	97.4 Å²	97.4	52%	0.522	50%	0.502	S	S	.	.	H	α-helix	trans	-69.4	-38.7	178.7	-167.2	-105.2	0	0	0	112.9	Q868 R870 I876 M900	Q868-Y872 PolarHBondContact O-N 3.48Å; R870-Y872 VanDerWaalsContact C-N 3.26Å; R870-Y872 PolarHBondContact O-N 2.82Å; Y872-I876 HydrophobicContact CD1-CD1 3.84Å; Y872-I876 HydrophobicContact CE1-CD1 3.45Å; Y872-I876 VanDerWaalsContact CE1-CD1 3.45Å; Y872-I876 HydrophobicContact CE1-CG1 4.48Å; Y872-I876 WeakPolarHBondContact O-CG1 3.31Å; Y872-I876 PolarHBondContact O-N 2.91Å; Y872-I876 VanDerWaalsContact O-N 3.09Å; Y872-M900 HydrophobicContact CE1-CE 4.09Å
873	L	46.2	Very low	43.3	Very low	87 Å²	87	94.3 Å²	94.3	46%	0.455	48%	0.48	S	S	.	.	H	α-helix	trans	-66.3	-44.8	173.2	-170.3	79.2	0	0	0	110.7	R870 K875 I876 L877	R870-L873 WeakPolarHBondContact O-CA 3.34Å; R870-L873 WeakPolarHBondContact O-CB 3.37Å; R870-L873 PolarHBondContact O-N 2.84Å; L873-K875 VanDerWaalsContact C-N 3.33Å; L873-K875 PolarHBondContact O-N 2.83Å; L873-I876 PolarHBondContact O-N 3.25Å; L873-L877 HydrophobicContact CD2-CD1 4.22Å; L873-L877 HydrophobicContact CG-CD1 4.01Å; L873-L877 HydrophobicContact CG-CG 4.44Å; L873-L877 WeakPolarHBondContact O-CB 3.41Å; L873-L877 WeakPolarHBondContact O-CG 3.36Å; L873-L877 PolarHBondContact O-N 3.42Å
874	S	49.3	Very low	44.1	Very low	68 Å²	68	91.2 Å²	91.2	48%	0.476	46%	0.46	S	S	.	.	H	α-helix	trans	-59.7	-42.2	176.7	-60.2	0	0	0	0	111.7	R870 D871 L877 Q878	R870-S874 PolarHBondContact O-N 2.85Å; R870-S874 PolarHBondContact O-OG 2.61Å; D871-S874 PolarHBondContact O-N 2.67Å; S874-L877 PolarHBondContact O-N 3.14Å; S874-Q878 VanDerWaalsContact O-CB 3.25Å; S874-Q878 WeakPolarHBondContact O-CB 3.29Å; S874-Q878 PolarHBondContact O-N 3.44Å
875	K	50.8	Low	45	Very low	127 Å²	127	94.4 Å²	94.4	55%	0.552	46%	0.462	S	S	*	.	H	α-helix	trans	-62.2	-45.2	174.7	-76.7	163.6	-176.4	157.8	0	112	D871 L873 Q878 E879	D871-K875 WeakPolarHBondContact O-CB 3.45Å; D871-K875 WeakPolarHBondContact O-CD 3.4Å; D871-K875 VanDerWaalsContact O-CG 3.27Å; D871-K875 WeakPolarHBondContact O-CG 3.36Å; D871-K875 PolarHBondContact O-N 2.85Å; D871-K875 IonicContact OD2-NZ 3.17Å; D871-K875 PolarHBondContact OD2-NZ 3.5Å; L873-K875 VanDerWaalsContact C-N 3.33Å; L873-K875 PolarHBondContact O-N 2.83Å; K875-Q878 PolarHBondContact O-N 2.88Å; K875-E879 WeakPolarHBondContact O-CB 3.49Å; K875-E879 PolarHBondContact O-N 3.43Å
876	I	49.2	Very low	45.8	Very low	44 Å²	44	93 Å²	93	23%	0.226	46%	0.458	C	S	.	.	H	α-helix	trans	-62.9	-44	175.1	-72.5	170.7	0	0	0	111.4	Y872 L873 E879 I880	Y872-I876 HydrophobicContact CD1-CD1 3.84Å; Y872-I876 HydrophobicContact CE1-CD1 3.45Å; Y872-I876 VanDerWaalsContact CE1-CD1 3.45Å; Y872-I876 HydrophobicContact CE1-CG1 4.48Å; Y872-I876 WeakPolarHBondContact O-CG1 3.31Å; Y872-I876 PolarHBondContact O-N 2.91Å; Y872-I876 VanDerWaalsContact O-N 3.09Å; L873-I876 PolarHBondContact O-N 3.25Å; I876-E879 PolarHBondContact O-N 2.77Å; I876-I880 HydrophobicContact CG2-CD1 3.59Å; I876-I880 HydrophobicContact CG2-CG1 4.35Å; I876-I880 WeakPolarHBondContact O-CB 3.26Å; I876-I880 WeakPolarHBondContact O-CD1 3.44Å; I876-I880 WeakPolarHBondContact O-CG1 3.27Å; I876-I880 PolarHBondContact O-N 2.96Å
877	L	48.7	Very low	46.2	Very low	57 Å²	57	93.6 Å²	93.6	30%	0.298	46%	0.456	S	S	.	.	H	α-helix	trans	-65.3	-38.3	177.4	-71.1	170.8	0	0	0	111.9	L873 S874 S881	L873-L877 HydrophobicContact CD2-CD1 4.22Å; L873-L877 HydrophobicContact CG-CD1 4.01Å; L873-L877 HydrophobicContact CG-CG 4.44Å; L873-L877 WeakPolarHBondContact O-CB 3.41Å; L873-L877 WeakPolarHBondContact O-CG 3.36Å; L873-L877 PolarHBondContact O-N 3.42Å; S874-L877 PolarHBondContact O-N 3.14Å; L877-S881 WeakPolarHBondContact O-CB 3.16Å; L877-S881 PolarHBondContact O-N 3.29Å
878	Q	53.3	Low	46.8	Very low	113 Å²	113	90.8 Å²	90.8	53%	0.528	45%	0.45	S	S	.	.	H	α-helix	trans	-66.8	-42.7	174.8	-168.5	70.2	58.9	0	0	111.6	S874 K875 S881 N882	S874-Q878 VanDerWaalsContact O-CB 3.25Å; S874-Q878 WeakPolarHBondContact O-CB 3.29Å; S874-Q878 PolarHBondContact O-N 3.44Å; K875-Q878 PolarHBondContact O-N 2.88Å; Q878-S881 PolarHBondContact O-N 2.89Å; Q878-N882 PolarHBondContact NE2-OD1 3.45Å; Q878-N882 WeakPolarHBondContact O-CB 3.29Å; Q878-N882 PolarHBondContact O-N 3.17Å; Q878-N882 PolarHBondContact O-ND2 2.98Å; Q878-N882 PolarHBondContact O-OD1 3.38Å
879	E	50.2	Low	46.9	Very low	123 Å²	123	91.8 Å²	91.8	58%	0.575	46%	0.455	S	S	*	.	H	α-helix	trans	-65.6	-47.2	177.2	-174.3	172.1	-159.1	0	0	111.3	K875 I876 S881 N882 C883	K875-E879 WeakPolarHBondContact O-CB 3.49Å; K875-E879 PolarHBondContact O-N 3.43Å; I876-E879 PolarHBondContact O-N 2.77Å; E879-S881 VanDerWaalsContact C-N 3.32Å; E879-S881 PolarHBondContact O-N 3.44Å; E879-N882 PolarHBondContact O-N 3.17Å; E879-C883 WeakPolarHBondContact O-CB 3.12Å; E879-C883 PolarHBondContact O-N 3.01Å; E879-C883 PolarHBondContact O-SG 3.18Å; E879-C883 VanDerWaalsContact O-SG 3.4Å
880	I	48.2	Very low	46.9	Very low	14 Å²	14	91.6 Å²	91.6	7%	0.072	45%	0.451	C	S	.	.	H	α-helix	trans	-57.5	-45.6	171.6	-68.9	165.7	0	0	0	110.4	I876 N882 C883 L884 I894 V921	I876-I880 HydrophobicContact CG2-CD1 3.59Å; I876-I880 HydrophobicContact CG2-CG1 4.35Å; I876-I880 WeakPolarHBondContact O-CB 3.26Å; I876-I880 WeakPolarHBondContact O-CD1 3.44Å; I876-I880 WeakPolarHBondContact O-CG1 3.27Å; I876-I880 PolarHBondContact O-N 2.96Å; I880-N882 PolarHBondContact O-N 2.99Å; I880-C883 PolarHBondContact O-N 3.24Å; I880-L884 HydrophobicContact CG2-CD1 3.7Å; I880-L884 HydrophobicContact CG2-CG 4.18Å; I880-L884 WeakPolarHBondContact O-CB 3.25Å; I880-L884 VanDerWaalsContact O-CG 3.22Å; I880-L884 WeakPolarHBondContact O-CG 3.36Å; I880-L884 PolarHBondContact O-N 3.38Å; I880-I894 HydrophobicContact CD1-CD1 3.7Å; I880-I894 HydrophobicContact CG1-CD1 3.58Å; I880-V921 HydrophobicContact CD1-CB 4.03Å; I880-V921 HydrophobicContact CD1-CG1 4.19Å; I880-V921 HydrophobicContact CD1-CG2 3.87Å
881	S	49.3	Very low	46.8	Very low	22 Å²	22	87.7 Å²	87.7	15%	0.154	45%	0.449	C	S	.	.	H	α-helix	trans	-60.7	-44.8	177.3	-173.3	0	0	0	0	111.8	L877 Q878 E879 C883 L884 H885	L877-S881 WeakPolarHBondContact O-CB 3.16Å; L877-S881 PolarHBondContact O-N 3.29Å; Q878-S881 PolarHBondContact O-N 2.89Å; E879-S881 VanDerWaalsContact C-N 3.32Å; E879-S881 PolarHBondContact O-N 3.44Å; S881-C883 PolarHBondContact O-N 3.49Å; S881-L884 PolarHBondContact O-N 2.71Å; S881-H885 WeakPolarHBondContact O-CB 3.49Å; S881-H885 PolarHBondContact O-N 3.3Å; S881-H885 PolarHBondContact O-ND1 2.94Å; S881-H885 PolarHBondContact OG-CE1 2.73Å; S881-H885 PolarHBondContact OG-ND1 3.28Å
882	N	54	Low	46.2	Very low	85 Å²	85	85.4 Å²	85.4	46%	0.455	44%	0.436	S	S	.	.	H	α-helix	trans	-64.5	-40.1	177.8	-66.9	-10	0	0	0	111.6	Q878 E879 I880 T886	Q878-N882 PolarHBondContact NE2-OD1 3.45Å; Q878-N882 WeakPolarHBondContact O-CB 3.29Å; Q878-N882 PolarHBondContact O-N 3.17Å; Q878-N882 PolarHBondContact O-ND2 2.98Å; Q878-N882 PolarHBondContact O-OD1 3.38Å; E879-N882 PolarHBondContact O-N 3.17Å; I880-N882 PolarHBondContact O-N 2.99Å; N882-T886 WeakPolarHBondContact O-CB 3.35Å; N882-T886 WeakPolarHBondContact O-CG2 3.31Å; N882-T886 PolarHBondContact O-N 3.22Å; N882-T886 PolarHBondContact O-OG1 3.06Å
883	C	45.2	Very low	45.8	Very low	52 Å²	52	83.1 Å²	83.1	35%	0.351	44%	0.436	S	S	.	.	H	α-helix	trans	-68	-38.7	173.8	-69.6	0	0	0	0	112.5	E879 I880 S881 T886 N887 I892	E879-C883 WeakPolarHBondContact O-CB 3.12Å; E879-C883 PolarHBondContact O-N 3.01Å; E879-C883 PolarHBondContact O-SG 3.18Å; E879-C883 VanDerWaalsContact O-SG 3.4Å; I880-C883 PolarHBondContact O-N 3.24Å; S881-C883 PolarHBondContact O-N 3.49Å; C883-T886 PolarHBondContact O-OG1 3.06Å; C883-N887 CarbonylContact O-C 3.5Å; C883-N887 WeakPolarHBondContact O-CA 3.45Å; C883-N887 WeakPolarHBondContact O-CB 3.43Å; C883-N887 PolarHBondContact O-N 3.49Å; C883-I892 HydrophobicContact CB-CD1 3.5Å; C883-I892 VanDerWaalsContact CB-CD1 3.5Å; C883-I892 HydrophobicContact CB-CG1 4.49Å
884	L	47.9	Very low	45.3	Very low	40 Å²	40	82.1 Å²	82.1	21%	0.209	43%	0.431	C	S	.	.	H	α-helix	trans	-63.3	-44.7	174.3	-76.3	168.7	0	0	0	111.8	I880 S881 P888 I892 Q923 V930	I880-L884 HydrophobicContact CG2-CD1 3.7Å; I880-L884 HydrophobicContact CG2-CG 4.18Å; I880-L884 WeakPolarHBondContact O-CB 3.25Å; I880-L884 VanDerWaalsContact O-CG 3.22Å; I880-L884 WeakPolarHBondContact O-CG 3.36Å; I880-L884 PolarHBondContact O-N 3.38Å; S881-L884 PolarHBondContact O-N 2.71Å; L884-P888 WeakPolarHBondContact O-CA 3.48Å; L884-P888 WeakPolarHBondContact O-CB 3.35Å; L884-P888 WeakPolarHBondContact O-CD 3.31Å; L884-I892 HydrophobicContact CG-CD1 4.39Å; L884-Q923 HydrophobicContact CD2-CG 4.01Å; L884-Q923 VanDerWaalsContact CD2-OE1 3.23Å; L884-V930 HydrophobicContact CD1-CG2 4.18Å
885	H	51	Low	44.4	Very low	140 Å²	140	85.6 Å²	85.6	65%	0.648	44%	0.441	S	S	*	.	H	α-helix	trans	-67.4	-41.2	179.1	-78.2	96.5	0	0	0	112.6	S881	S881-H885 WeakPolarHBondContact O-CB 3.49Å; S881-H885 PolarHBondContact O-N 3.3Å; S881-H885 PolarHBondContact O-ND1 2.94Å; S881-H885 PolarHBondContact OG-CE1 2.73Å; S881-H885 PolarHBondContact OG-ND1 3.28Å
886	T	51.1	Low	43.7	Very low	96 Å²	96	81.1 Å²	81.1	59%	0.589	43%	0.425	S	S	*	.	H	α-helix	trans	-78.7	-31.9	179.4	54.3	0	0	0	0	113.2	N882 C883	N882-T886 WeakPolarHBondContact O-CB 3.35Å; N882-T886 WeakPolarHBondContact O-CG2 3.31Å; N882-T886 PolarHBondContact O-N 3.22Å; N882-T886 PolarHBondContact O-OG1 3.06Å; C883-T886 PolarHBondContact O-OG1 3.06Å
887	N	44	Very low	43	Very low	74 Å²	74	82.2 Å²	82.2	40%	0.396	43%	0.434	S	S	.	.			trans	-139.8	57.5	-166.8	-78.4	-79.1	0	0	0	113	C883 Q889 Y890	C883-N887 CarbonylContact O-C 3.5Å; C883-N887 WeakPolarHBondContact O-CA 3.45Å; C883-N887 WeakPolarHBondContact O-CB 3.43Å; C883-N887 PolarHBondContact O-N 3.49Å; N887-Q889 PolarHBondContact O-N 3.4Å; N887-Y890 HydrophobicContact CB-CD2 3.7Å; N887-Y890 HydrophobicContact CB-CE2 4.35Å; N887-Y890 HydrophobicContact CB-CG 4.4Å; N887-Y890 PolarHBondContact O-N 3.17Å; N887-Y890 VanDerWaalsContact O-N 3.09Å; N887-Y890 WeakPolarHBondContact OD1-CD2 3.26Å; N887-Y890 WeakPolarHBondContact OD1-CE2 3.35Å
888	P	43.7	Very low	42.4	Very low	78 Å²	78	84 Å²	84	51%	0.506	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-5.9	-173.3	26.6	-36.4	0	0	0	115.4	L884 Q923	L884-P888 WeakPolarHBondContact O-CA 3.48Å; L884-P888 WeakPolarHBondContact O-CB 3.35Å; L884-P888 WeakPolarHBondContact O-CD 3.31Å; P888-Q923 PolarHBondContact O-NE2 3.3Å
889	Q	38.5	Very low	41.6	Very low	177 Å²	177	83.8 Å²	83.8	83%	0.827	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-12.9	179.2	-58.9	-176.5	20.1	0	0	114	N887	N887-Q889 PolarHBondContact O-N 3.4Å
890	Y	35.8	Very low	41.1	Very low	131 Å²	131	81.2 Å²	81.2	51%	0.514	44%	0.437	S	S	.	.	S	Bend	trans	-84.5	135.8	-176.9	-80	-98.4	0	0	0	111.5	N887 I892 Q923	N887-Y890 HydrophobicContact CB-CD2 3.7Å; N887-Y890 HydrophobicContact CB-CE2 4.35Å; N887-Y890 HydrophobicContact CB-CG 4.4Å; N887-Y890 PolarHBondContact O-N 3.17Å; N887-Y890 VanDerWaalsContact O-N 3.09Å; N887-Y890 WeakPolarHBondContact OD1-CD2 3.26Å; N887-Y890 WeakPolarHBondContact OD1-CE2 3.35Å; Y890-I892 PolarHBondContact O-N 2.96Å; Y890-Q923 PolarHBondContact O-NE2 2.82Å; Y890-Q923 PolarHBondContact O-OE1 3.16Å
891	P	34.3	Very low	40.6	Very low	98 Å²	98	84.8 Å²	84.8	64%	0.636	46%	0.456	S	S	*	.			trans	-76.3	93.1	171.4	30.8	-32.6	0	0	0	109.8	V893	P891-V893 PolarHBondContact O-N 3.23Å
892	I	35.4	Very low	39.8	Very low	34 Å²	34	88.7 Å²	88.7	17%	0.174	47%	0.474	C	S	.	.			trans	-63.4	123.6	171	-61.2	170.9	0	0	0	108.8	C883 L884 Y890 I894 Q923	C883-I892 HydrophobicContact CB-CD1 3.5Å; C883-I892 VanDerWaalsContact CB-CD1 3.5Å; C883-I892 HydrophobicContact CB-CG1 4.49Å; L884-I892 HydrophobicContact CG-CD1 4.39Å; Y890-I892 PolarHBondContact O-N 2.96Å; I892-I894 HydrophobicContact CG2-CD1 4.27Å; I892-I894 HydrophobicContact CG2-CG1 4Å; I892-Q923 HydrophobicContact CB-CB 4.41Å; I892-Q923 VanDerWaalsContact CD1-OE1 3.25Å; I892-Q923 VanDerWaalsContact CG1-OE1 3.3Å; I892-Q923 PolarHBondContact O-N 3.46Å
893	V	35.7	Very low	38.9	Very low	86 Å²	86	92.8 Å²	92.8	52%	0.521	49%	0.489	S	S	.	.	B	Isolated β-bridge	trans	-126.8	97.9	172.4	179.2	0	0	0	0	107.9	P891 M895 F922	P891-V893 PolarHBondContact O-N 3.23Å; V893-M895 HydrophobicContact CG1-CG 4.1Å; V893-F922 HydrophobicContact CG1-CD1 4.39Å; V893-F922 HydrophobicContact CG1-CE1 3.9Å; V893-F922 HydrophobicContact CG2-CD1 4.16Å; V893-F922 HydrophobicContact CG2-CE1 4.38Å
894	I	34.8	Very low	38.6	Very low	65 Å²	65	94.6 Å²	94.6	33%	0.333	50%	0.502	S	S	.	.			trans	-87.5	119.6	170.2	-64	167.6	0	0	0	107.1	I880 I892 L920	I880-I894 HydrophobicContact CD1-CD1 3.7Å; I880-I894 HydrophobicContact CG1-CD1 3.58Å; I892-I894 HydrophobicContact CG2-CD1 4.27Å; I892-I894 HydrophobicContact CG2-CG1 4Å; I894-L920 WeakPolarHBondContact O-CD2 3.5Å
895	M	32.3	Very low	37.9	Very low	142 Å²	142	100.2 Å²	100.2	70%	0.7	53%	0.527	S	S	*	.			trans	-108.1	135.2	166.4	-64	-142.1	-56.4	0	0	109.6	V893 T897	V893-M895 HydrophobicContact CG1-CG 4.1Å; M895-T897 PolarHBondContact O-N 3.35Å
896	P	34.1	Very low	37.2	Very low	33 Å²	33	102.6 Å²	102.6	21%	0.214	54%	0.538	C	S	.	.			trans	-64.4	129.6	171.8	28.7	-33.4	0	0	0	108.7	M900 L901 L920	P896-M900 HydrophobicContact CB-CB 3.91Å; P896-M900 HydrophobicContact CB-SD 4.13Å; P896-L901 HydrophobicContact CB-CD2 4.37Å; P896-L901 HydrophobicContact CB-CG 4.39Å; P896-L901 HydrophobicContact CG-CD2 4.17Å; P896-L901 HydrophobicContact CG-CG 4.41Å; P896-L920 HydrophobicContact CG-CD2 4.44Å
897	T	34.9	Very low	36.4	Very low	66 Å²	66	106.9 Å²	106.9	41%	0.405	55%	0.551	S	S	.	*			trans	-65.5	158	171.6	56.9	0	0	0	0	109.9	M895 Q899 M900 L901	M895-T897 PolarHBondContact O-N 3.35Å; T897-Q899 PolarHBondContact O-N 3.28Å; T897-M900 WeakPolarHBondContact O-CA 3.48Å; T897-M900 WeakPolarHBondContact O-CB 3.48Å; T897-M900 PolarHBondContact O-N 3.46Å; T897-L901 PolarHBondContact O-N 2.88Å
898	P	35.7	Very low	35.8	Very low	95 Å²	95	112.4 Å²	112.4	62%	0.617	58%	0.575	S	S	*	*	H	α-helix	trans	-54	-29.3	174.9	-28.3	36.4	0	0	0	113.3	L901 N902	P898-L901 PolarHBondContact O-N 2.87Å; P898-L901 VanDerWaalsContact O-N 3.14Å; P898-N902 WeakPolarHBondContact O-CB 3.42Å; P898-N902 VanDerWaalsContact O-CG 3.27Å; P898-N902 PolarHBondContact O-N 3.35Å; P898-N902 PolarHBondContact O-OD1 3.44Å; P898-N902 VanDerWaalsContact O-OD1 3.14Å
899	Q	37.9	Very low	35.1	Very low	108 Å²	108	113.7 Å²	113.7	51%	0.505	59%	0.592	S	S	.	*	H	α-helix	trans	-58.8	-49	171.5	-67.9	171.2	-30.5	0	0	111.7	T897 L901 N902 F903	T897-Q899 PolarHBondContact O-N 3.28Å; Q899-L901 PolarHBondContact O-N 3.31Å; Q899-L901 VanDerWaalsContact O-N 3.15Å; Q899-N902 PolarHBondContact O-N 2.85Å; Q899-F903 HydrophobicContact CB-CE2 4.19Å; Q899-F903 WeakPolarHBondContact O-CD2 3.44Å; Q899-F903 WeakPolarHBondContact O-CE2 3.35Å; Q899-F903 PolarHBondContact O-N 2.9Å
900	M	38.3	Very low	34.8	Very low	70 Å²	70	111.5 Å²	111.5	35%	0.345	59%	0.591	S	S	.	*	H	α-helix	trans	-62	-20	175.6	-65.3	-177.3	75.8	0	0	114	Y872 P896 T897	Y872-M900 HydrophobicContact CE1-CE 4.09Å; P896-M900 HydrophobicContact CB-CB 3.91Å; P896-M900 HydrophobicContact CB-SD 4.13Å; T897-M900 WeakPolarHBondContact O-CA 3.48Å; T897-M900 WeakPolarHBondContact O-CB 3.48Å; T897-M900 PolarHBondContact O-N 3.46Å
901	L	37.7	Very low	34.5	Very low	89 Å²	89	112.7 Å²	112.7	47%	0.466	61%	0.606	S	S	.	*	H	α-helix	trans	-90.7	-31.1	176.5	-64	173.4	0	0	0	112.7	P896 T897 P898 Q899	P896-L901 HydrophobicContact CB-CD2 4.37Å; P896-L901 HydrophobicContact CB-CG 4.39Å; P896-L901 HydrophobicContact CG-CD2 4.17Å; P896-L901 HydrophobicContact CG-CG 4.41Å; T897-L901 PolarHBondContact O-N 2.88Å; P898-L901 PolarHBondContact O-N 2.87Å; P898-L901 VanDerWaalsContact O-N 3.14Å; Q899-L901 PolarHBondContact O-N 3.31Å; Q899-L901 VanDerWaalsContact O-N 3.15Å
902	N	34.2	Very low	34.3	Very low	103 Å²	103	114.5 Å²	114.5	55%	0.551	61%	0.61	S	S	*	*	H	α-helix	trans	-85.7	-12.4	-174.6	-72	19.6	0	0	0	114.4	P898 Q899 S904 E905	P898-N902 WeakPolarHBondContact O-CB 3.42Å; P898-N902 VanDerWaalsContact O-CG 3.27Å; P898-N902 PolarHBondContact O-N 3.35Å; P898-N902 PolarHBondContact O-OD1 3.44Å; P898-N902 VanDerWaalsContact O-OD1 3.14Å; Q899-N902 PolarHBondContact O-N 2.85Å; N902-S904 PolarHBondContact O-N 3.33Å; N902-E905 PolarHBondContact O-N 2.91Å
903	F	35.2	Very low	34.2	Very low	172 Å²	172	122.9 Å²	122.9	75%	0.754	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	42.8	175.6	-68.4	-58	0	0	0	114.1	Q899	Q899-F903 HydrophobicContact CB-CE2 4.19Å; Q899-F903 WeakPolarHBondContact O-CD2 3.44Å; Q899-F903 WeakPolarHBondContact O-CE2 3.35Å; Q899-F903 PolarHBondContact O-N 2.9Å
904	S	37.8	Very low	33.9	Very low	89 Å²	89	124 Å²	124	62%	0.622	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.8	0.5	174.6	-70.4	0	0	0	0	115.3	N902	N902-S904 PolarHBondContact O-N 3.33Å
905	E	34.6	Very low	33.8	Very low	159 Å²	159	125.4 Å²	125.4	74%	0.743	66%	0.664	S	S	*	*	S	Bend	trans	-105.2	11.1	-178.2	-64.7	-172.6	148.3	0	0	114.1	N902	N902-E905 PolarHBondContact O-N 2.91Å
906	H	35.1	Very low	34	Very low	190 Å²	190	126 Å²	126	88%	0.88	66%	0.663	S	S	*	*	S	Bend	trans	-126.5	25.7	-179.1	-72.6	-10.3	0	0	0	114.4
907	Q	34	Very low	34.4	Very low	186 Å²	186	128.7 Å²	128.7	87%	0.869	67%	0.671	S	S	*	*	S	Bend	trans	-117.1	133.2	159.5	-76.5	-175.8	-14.6	0	0	109.4
908	Q	32.7	Very low	34.5	Very low	190 Å²	190	127.6 Å²	127.6	89%	0.888	67%	0.669	S	S	*	*			trans	-70.8	159.5	-169.1	-70.2	168.4	-33.3	0	0	112.2	T910	Q908-T910 PolarHBondContact O-N 3.47Å
909	A	27.6	Very low	34.5	Very low	104 Å²	104	126 Å²	126	86%	0.86	66%	0.658	S	S	*	*			trans	-53.2	118.4	-173.9	0	0	0	0	0	113.8
910	T	32.4	Very low	34.5	Very low	132 Å²	132	122.2 Å²	122.2	81%	0.81	64%	0.641	S	S	*	*			trans	-148.4	144.2	151.6	29.3	0	0	0	0	108.2	Q908 N912	Q908-T910 PolarHBondContact O-N 3.47Å; T910-N912 PolarHBondContact O-N 3.2Å
911	D	29.1	Very low	34.4	Very low	155 Å²	155	119.9 Å²	119.9	83%	0.829	63%	0.631	S	S	*	*			trans	-64.9	115.1	-171.8	-75.2	-84.2	0	0	0	113.6
912	N	31.2	Very low	34.2	Very low	137 Å²	137	120.3 Å²	120.3	73%	0.733	63%	0.629	S	S	*	*			trans	-156.1	114	159	-117	-78.2	0	0	0	111.6	T910 N914	T910-N912 PolarHBondContact O-N 3.2Å; N912-N914 PolarHBondContact O-N 3.46Å
913	K	32.8	Very low	34.3	Very low	209 Å²	209	117.1 Å²	117.1	91%	0.909	61%	0.611	S	S	*	*			trans	-75.8	40.4	-173.8	-65.5	-179.8	177	174.2	0	114.1
914	N	30.5	Very low	34.4	Very low	110 Å²	110	113.5 Å²	113.5	59%	0.588	60%	0.599	S	S	*	*			trans	-130	59.6	-170.4	-81.5	-55.6	0	0	0	112.6	N912 K916	N912-N914 PolarHBondContact O-N 3.46Å; N914-K916 PolarHBondContact O-N 3.07Å
915	S	32.4	Very low	34.4	Very low	95 Å²	95	114.5 Å²	114.5	66%	0.664	60%	0.603	S	S	*	*			trans	-72	85.8	174.2	65.5	0	0	0	0	111.4	K917	S915-K917 PolarHBondContact O-N 3.17Å
916	K	36.7	Very low	34.6	Very low	155 Å²	155	113.7 Å²	113.7	67%	0.674	60%	0.599	S	S	*	*			trans	-69.7	80.3	-175	-68.4	169.8	-176.8	177.4	0	112.4	N914	N914-K916 PolarHBondContact O-N 3.07Å
917	K	42	Very low	34.9	Very low	89 Å²	89	110 Å²	110	39%	0.387	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-82.2	147	173.7	-63.6	-173.4	176.9	-172.9	0	111.2	S915 P935	S915-K917 PolarHBondContact O-N 3.17Å; K917-P935 HydrophobicContact CB-CB 3.78Å; K917-P935 HydrophobicContact CB-CG 4.15Å
918	A	36.8	Very low	35.2	Very low	42 Å²	42	104.6 Å²	104.6	35%	0.347	57%	0.571	S	S	.	*	P	Polyproline II helix	trans	-84.9	145.2	-167.5	0	0	0	0	0	114.5	P935	A918-P935 VanDerWaalsContact O-CB 3.32Å; A918-P935 WeakPolarHBondContact O-CB 3.44Å
919	P	36	Very low	35.4	Very low	61 Å²	61	97.3 Å²	97.3	40%	0.396	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-71.1	160.6	179.2	30	-35.4	0	0	0	113.9	I932 G933	P919-I932 HydrophobicContact CB-CG2 4.26Å; P919-G933 WeakPolarHBondContact CB-O 3.46Å
920	L	36.9	Very low	35.7	Very low	30 Å²	30	93.7 Å²	93.7	16%	0.157	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	107.7	-177.1	-83.7	167.6	0	0	0	109.6	I894 P896 F922 G933	I894-L920 WeakPolarHBondContact O-CD2 3.5Å; P896-L920 HydrophobicContact CG-CD2 4.44Å; L920-F922 HydrophobicContact CB-CE2 3.85Å; L920-F922 HydrophobicContact CB-CZ 4.47Å; L920-G933 PolarHBondContact N-O 3.44Å; L920-G933 CarbonylContact O-C 3.58Å; L920-G933 WeakPolarHBondContact O-CA 3.37Å; L920-G933 PolarHBondContact O-N 3.29Å
921	V	36.2	Very low	36	Very low	20 Å²	20	89.6 Å²	89.6	12%	0.121	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	136.5	-176.8	-172.5	0	0	0	0	111.1	I880 I932	I880-V921 HydrophobicContact CD1-CB 4.03Å; I880-V921 HydrophobicContact CD1-CG1 4.19Å; I880-V921 HydrophobicContact CD1-CG2 3.87Å; V921-I932 HydrophobicContact CG2-CG2 4.45Å
922	F	35.2	Very low	36.4	Very low	98 Å²	98	83.8 Å²	83.8	43%	0.43	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	133.4	-179.5	-65	-85.4	0	0	0	111.2	V893 L920	V893-F922 HydrophobicContact CG1-CD1 4.39Å; V893-F922 HydrophobicContact CG1-CE1 3.9Å; V893-F922 HydrophobicContact CG2-CD1 4.16Å; V893-F922 HydrophobicContact CG2-CE1 4.38Å; L920-F922 HydrophobicContact CB-CE2 3.85Å; L920-F922 HydrophobicContact CB-CZ 4.47Å
923	Q	34.8	Very low	36.7	Very low	37 Å²	37	77.9 Å²	77.9	17%	0.173	42%	0.42	C	S	.	.			trans	-97.4	137.2	177.2	-176.8	175	-15.8	0	0	112.1	L884 P888 Y890 I892	L884-Q923 HydrophobicContact CD2-CG 4.01Å; L884-Q923 VanDerWaalsContact CD2-OE1 3.23Å; P888-Q923 PolarHBondContact O-NE2 3.3Å; Y890-Q923 PolarHBondContact O-NE2 2.82Å; Y890-Q923 PolarHBondContact O-OE1 3.16Å; I892-Q923 HydrophobicContact CB-CB 4.41Å; I892-Q923 VanDerWaalsContact CD1-OE1 3.25Å; I892-Q923 VanDerWaalsContact CG1-OE1 3.3Å; I892-Q923 PolarHBondContact O-N 3.46Å
924	I	38.7	Very low	36.8	Very low	96 Å²	96	69.7 Å²	69.7	49%	0.492	39%	0.386	S	S	.	.			trans	-128	138.8	175.1	-63.7	-179.6	0	0	0	107	H926	I924-H926 PolarHBondContact O-N 2.91Å
925	P	36.9	Very low	37	Very low	109 Å²	109	65.5 Å²	65.5	71%	0.708	36%	0.364	S	S	*	.	S	Bend	trans	-71.5	89.6	-167.4	27.5	-36.8	0	0	0	114.2
926	H	39.7	Very low	37.1	Very low	143 Å²	143	62.6 Å²	62.6	66%	0.662	35%	0.347	S	S	*	.			trans	-149.2	133.5	155.9	-119.6	-89.6	0	0	0	109.4	I924 N928	I924-H926 PolarHBondContact O-N 2.91Å; H926-N928 PolarHBondContact O-N 2.95Å
927	S	41.2	Very low	37.1	Very low	111 Å²	111	58.7 Å²	58.7	78%	0.776	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-11.1	-169.2	51.4	0	0	0	0	116
928	N	40.4	Very low	36.8	Very low	73 Å²	73	59.8 Å²	59.8	39%	0.39	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	24.7	-168.7	-57.5	27.9	0	0	0	111.6	H926 Q994	H926-N928 PolarHBondContact O-N 2.95Å; N928-Q994 HydrophobicContact CB-CG 4.27Å; N928-Q994 VanDerWaalsContact ND2-CD 3.3Å; N928-Q994 PolarHBondContact ND2-NE2 3.38Å; N928-Q994 PolarHBondContact ND2-OE1 2.98Å
929	S	36.5	Very low	36.9	Very low	38 Å²	38	61.6 Å²	61.6	27%	0.266	38%	0.377	S	S	.	.			trans	-151.4	120.5	-167.7	-55.1	0	0	0	0	113.3	P992	S929-P992 WeakPolarHBondContact OG-CG 3.33Å
930	V	34	Very low	36.9	Very low	27 Å²	27	60.8 Å²	60.8	16%	0.164	37%	0.371	C	S	.	.			trans	-118.2	131.8	173.1	-179.7	0	0	0	0	108.9	L884 L997	L884-V930 HydrophobicContact CD1-CG2 4.18Å; V930-L997 HydrophobicContact CB-CD2 4.04Å; V930-L997 HydrophobicContact CG1-CD2 3.9Å
931	F	39.1	Very low	36.9	Very low	47 Å²	47	65.5 Å²	65.5	21%	0.206	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.7	175.1	-75.4	-63.5	0	0	0	110.7	V953 P992 L998	F931-V953 HydrophobicContact CD1-CG2 4.17Å; F931-V953 HydrophobicContact CE1-CG2 3.44Å; F931-V953 VanDerWaalsContact CE1-CG2 3.44Å; F931-V953 HydrophobicContact CE2-CG2 4.3Å; F931-V953 HydrophobicContact CZ-CG2 3.5Å; F931-V953 VanDerWaalsContact CZ-CG2 3.5Å; F931-P992 HydrophobicContact CE1-CB 4.08Å; F931-P992 HydrophobicContact CE2-CB 4.23Å; F931-P992 HydrophobicContact CE2-CG 4.13Å; F931-P992 HydrophobicContact CZ-CB 3.65Å; F931-P992 HydrophobicContact CZ-CG 3.77Å; F931-L998 HydrophobicContact CD1-CB 4.44Å; F931-L998 HydrophobicContact CD1-CD2 4.04Å; F931-L998 HydrophobicContact CE1-CD2 3.91Å
932	I	36.2	Very low	36.8	Very low	32 Å²	32	67.1 Å²	67.1	16%	0.164	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	126.5	-176.8	-58.9	171.7	0	0	0	108.9	P919 V921 L997 I999	P919-I932 HydrophobicContact CB-CG2 4.26Å; V921-I932 HydrophobicContact CG2-CG2 4.45Å; I932-L997 HydrophobicContact CD1-CB 4.08Å; I932-L997 HydrophobicContact CD1-CD2 4.47Å; I932-I999 HydrophobicContact CD1-CG1 4.25Å
933	G	37.1	Very low	36.8	Very low	14 Å²	14	70.5 Å²	70.5	14%	0.144	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	156.3	172.2	0	0	0	0	0	112.2	P919 L920	P919-G933 WeakPolarHBondContact CB-O 3.46Å; L920-G933 PolarHBondContact N-O 3.44Å; L920-G933 CarbonylContact O-C 3.58Å; L920-G933 WeakPolarHBondContact O-CA 3.37Å; L920-G933 PolarHBondContact O-N 3.29Å
934	L	35.5	Very low	37.1	Very low	36 Å²	36	72.4 Å²	72.4	19%	0.188	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-90.8	159.3	-177.7	-83.2	158.5	0	0	0	112.8	A936 I1000 T1001 P1002	L934-A936 PolarHBondContact O-N 3.34Å; L934-I1000 HydrophobicContact CD1-CB 4.03Å; L934-I1000 HydrophobicContact CD1-CG2 3.89Å; L934-I1000 WeakPolarHBondContact CD2-O 3.43Å; L934-I1000 WeakPolarHBondContact CG-O 3.22Å; L934-T1001 VanDerWaalsContact CD1-C 3.42Å; L934-T1001 WeakPolarHBondContact CD1-O 3.46Å; L934-P1002 HydrophobicContact CD2-CG 3.94Å
935	P	35.2	Very low	36.9	Very low	22 Å²	22	73 Å²	73	14%	0.143	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-54	127	163.6	23.4	-33.6	0	0	0	110.3	K917 A918 T937	K917-P935 HydrophobicContact CB-CB 3.78Å; K917-P935 HydrophobicContact CB-CG 4.15Å; A918-P935 VanDerWaalsContact O-CB 3.32Å; A918-P935 WeakPolarHBondContact O-CB 3.44Å; P935-T937 PolarHBondContact O-N 3.48Å
936	A	33.6	Very low	36.8	Very low	35 Å²	35	71.8 Å²	71.8	29%	0.289	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-65.1	127	157.4	0	0	0	0	0	108.2	L934	L934-A936 PolarHBondContact O-N 3.34Å
937	T	36.4	Very low	36.2	Very low	73 Å²	73	66.4 Å²	66.4	45%	0.448	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-73.3	152.5	165.7	51.5	0	0	0	0	108.9	P935 G939 V940	P935-T937 PolarHBondContact O-N 3.48Å; T937-G939 PolarHBondContact O-N 2.96Å; T937-V940 PolarHBondContact N-O 3.35Å; T937-V940 PolarHBondContact O-N 2.94Å
938	S	37.7	Very low	35.8	Very low	111 Å²	111	66.5 Å²	66.5	78%	0.776	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	93.3	179.5	40.5	0	0	0	0	110.6
939	G	38.3	Very low	35.5	Very low	80 Å²	80	68.6 Å²	68.6	83%	0.825	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	125.4	-18.9	-177.2	0	0	0	0	0	115.1	T937	T937-G939 PolarHBondContact O-N 2.96Å
940	V	36.5	Very low	35.5	Very low	45 Å²	45	71.6 Å²	71.6	27%	0.273	44%	0.439	S	S	.	.	B	Isolated β-bridge	trans	-134.2	111.4	-170.3	-169.6	0	0	0	0	112.1	T937 P942 S958	T937-V940 PolarHBondContact N-O 3.35Å; T937-V940 PolarHBondContact O-N 2.94Å; V940-P942 VanDerWaalsContact O-CD 3.31Å; V940-P942 WeakPolarHBondContact O-CD 3.44Å; V940-S958 VanDerWaalsContact CG1-CB 3.42Å
941	N	35.1	Very low	35.9	Very low	128 Å²	128	75.4 Å²	75.4	68%	0.684	46%	0.459	S	S	*	.			trans	-91.2	108.5	171.2	-74.4	-35.1	0	0	0	110.3
942	P	35.6	Very low	35.7	Very low	55 Å²	55	73.8 Å²	73.8	36%	0.357	45%	0.454	S	S	.	.			trans	-63.2	144.7	167.6	27.7	-33.6	0	0	0	110.2	V940	V940-P942 VanDerWaalsContact O-CD 3.31Å; V940-P942 WeakPolarHBondContact O-CD 3.44Å
943	R	34.9	Very low	36	Very low	169 Å²	169	72.5 Å²	72.5	64%	0.638	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.8	95.6	179.4	-77.3	-173.7	170.6	-165.6	-3.5	110.7	L956	R943-L956 HydrophobicContact CB-CB 4.46Å; R943-L956 HydrophobicContact CB-CD1 3.99Å; R943-L956 WeakPolarHBondContact O-CB 3.32Å; R943-L956 PolarHBondContact O-N 3.25Å
944	V	40.7	Very low	35.9	Very low	77 Å²	77	74.1 Å²	74.1	47%	0.467	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	129.5	162	-176.8	0	0	0	0	108.1	V953	V944-V953 HydrophobicContact CG1-CG1 3.54Å
945	M	34.3	Very low	36.2	Very low	108 Å²	108	72.9 Å²	72.9	53%	0.532	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	124	174	-66.5	-171.2	67	0	0	110	I954 L956	M945-I954 PolarHBondContact N-O 2.76Å; M945-I954 PolarHBondContact O-N 3.18Å; M945-L956 HydrophobicContact CG-CD1 4.27Å; M945-L956 HydrophobicContact SD-CD1 3.93Å
946	T	34.6	Very low	36.3	Very low	83 Å²	83	74.9 Å²	74.9	51%	0.509	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	132.3	176.4	45.8	0	0	0	0	110.8	V953	T946-V953 HydrophobicContact CG2-CG2 4.35Å
947	A	27.7	Very low	36.2	Very low	31 Å²	31	74.9 Å²	74.9	26%	0.256	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	97.8	173.7	0	0	0	0	0	109.7	T950 N951 A952	A947-T950 WeakPolarHBondContact CB-OG1 3.27Å; A947-T950 PolarHBondContact O-N 3.31Å; A947-T950 VanDerWaalsContact O-N 3.11Å; A947-T950 PolarHBondContact O-OG1 2.95Å; A947-N951 PolarHBondContact O-N 3.31Å; A947-A952 HydrophobicContact CB-CB 4.41Å; A947-A952 PolarHBondContact N-O 3.38Å; A947-A952 PolarHBondContact O-N 3.01Å
948	S	33.2	Very low	36.1	Very low	113 Å²	113	73.7 Å²	73.7	79%	0.79	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	134.6	160	-173.9	0	0	0	0	107.7
949	P	34.2	Very low	36.1	Very low	116 Å²	116	75.7 Å²	75.7	75%	0.753	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	cis	-92.1	-0.8	16.7	36.9	-38	0	0	0	116.1	N951	P949-N951 VanDerWaalsContact C-N 3.26Å; P949-N951 PolarHBondContact O-N 3.05Å
950	T	35.4	Very low	36	Very low	101 Å²	101	76.7 Å²	76.7	62%	0.62	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-0.2	-168.4	41.5	0	0	0	0	115.6	A947 A952	A947-T950 WeakPolarHBondContact CB-OG1 3.27Å; A947-T950 PolarHBondContact O-N 3.31Å; A947-T950 VanDerWaalsContact O-N 3.11Å; A947-T950 PolarHBondContact O-OG1 2.95Å; T950-A952 PolarHBondContact O-N 3.39Å
951	N	41.7	Very low	35.9	Very low	108 Å²	108	78.4 Å²	78.4	58%	0.578	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	15.2	-170.8	-68.7	-16.7	0	0	0	114.2	A947 P949 G991	A947-N951 PolarHBondContact O-N 3.31Å; P949-N951 VanDerWaalsContact C-N 3.26Å; P949-N951 PolarHBondContact O-N 3.05Å; N951-G991 VanDerWaalsContact O-CA 3.23Å; N951-G991 WeakPolarHBondContact O-CA 3.37Å; N951-G991 PolarHBondContact O-N 3.48Å
952	A	35.9	Very low	35.9	Very low	13 Å²	13	77.6 Å²	77.6	11%	0.107	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	136.8	-175.3	0	0	0	0	0	111	A947 T950 I988 L989	A947-A952 HydrophobicContact CB-CB 4.41Å; A947-A952 PolarHBondContact N-O 3.38Å; A947-A952 PolarHBondContact O-N 3.01Å; T950-A952 PolarHBondContact O-N 3.39Å; A952-I988 HydrophobicContact CB-CG2 4.14Å; A952-L989 WeakPolarHBondContact CA-O 3.49Å
953	V	41.5	Very low	35.9	Very low	4 Å²	4	83.2 Å²	83.2	2%	0.024	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	119	170.9	179.1	0	0	0	0	108	F931 V944 T946 V955 L989	F931-V953 HydrophobicContact CD1-CG2 4.17Å; F931-V953 HydrophobicContact CE1-CG2 3.44Å; F931-V953 VanDerWaalsContact CE1-CG2 3.44Å; F931-V953 HydrophobicContact CE2-CG2 4.3Å; F931-V953 HydrophobicContact CZ-CG2 3.5Å; F931-V953 VanDerWaalsContact CZ-CG2 3.5Å; V944-V953 HydrophobicContact CG1-CG1 3.54Å; T946-V953 HydrophobicContact CG2-CG2 4.35Å; V953-V955 HydrophobicContact CG1-CG2 4.36Å; V953-L989 HydrophobicContact CB-CB 4.3Å; V953-L989 PolarHBondContact N-O 2.92Å; V953-L989 PolarHBondContact O-N 3.34Å
954	I	36	Very low	35.7	Very low	49 Å²	49	82.8 Å²	82.8	25%	0.251	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	112.8	174.6	-54.4	179	0	0	0	107.5	M945 L956 P986	M945-I954 PolarHBondContact N-O 2.76Å; M945-I954 PolarHBondContact O-N 3.18Å; I954-L956 HydrophobicContact CG2-CD2 4.33Å; I954-L956 HydrophobicContact CG2-CG 4.41Å; I954-P986 HydrophobicContact CG2-CB 3.93Å
955	V	42.3	Very low	35.3	Very low	10 Å²	10	86 Å²	86	6%	0.061	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	106	172.3	-174.5	0	0	0	0	107.5	V953 P957 T987 L989 I1000	V953-V955 HydrophobicContact CG1-CG2 4.36Å; V955-P957 WeakPolarHBondContact O-CD 3.37Å; V955-T987 PolarHBondContact N-O 3.44Å; V955-T987 PolarHBondContact O-N 3.23Å; V955-L989 HydrophobicContact CG2-CD1 3.9Å; V955-L989 HydrophobicContact CG2-CG 4.37Å; V955-I1000 HydrophobicContact CG2-CD1 3.94Å
956	L	36	Very low	35.3	Very low	64 Å²	64	86.9 Å²	86.9	34%	0.335	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	112.2	171.5	-65.6	167.1	0	0	0	108.6	R943 M945 I954 P986	R943-L956 HydrophobicContact CB-CB 4.46Å; R943-L956 HydrophobicContact CB-CD1 3.99Å; R943-L956 WeakPolarHBondContact O-CB 3.32Å; R943-L956 PolarHBondContact O-N 3.25Å; M945-L956 HydrophobicContact CG-CD1 4.27Å; M945-L956 HydrophobicContact SD-CD1 3.93Å; I954-L956 HydrophobicContact CG2-CD2 4.33Å; I954-L956 HydrophobicContact CG2-CG 4.41Å; L956-P986 HydrophobicContact CD2-CB 4.03Å
957	P	32.1	Very low	35.1	Very low	35 Å²	35	90.9 Å²	90.9	23%	0.227	51%	0.51	C	S	.	.			trans	-61.1	141.4	174	26.3	-33.5	0	0	0	109.7	V955 L959	V955-P957 WeakPolarHBondContact O-CD 3.37Å; P957-L959 PolarHBondContact O-N 2.69Å
958	S	35.3	Very low	35.4	Very low	48 Å²	48	97.6 Å²	97.6	34%	0.336	54%	0.536	S	S	.	.			trans	-68.8	126.2	174.5	45.1	0	0	0	0	110.5	V940 T960	V940-S958 VanDerWaalsContact CG1-CB 3.42Å; S958-T960 PolarHBondContact O-N 2.99Å
959	L	36.4	Very low	35.3	Very low	152 Å²	152	97.4 Å²	97.4	80%	0.796	54%	0.535	S	S	*	.			trans	-67.1	97.9	164.7	-77.4	122.9	0	0	0	108.9	P957 T961	P957-L959 PolarHBondContact O-N 2.69Å; L959-T961 PolarHBondContact O-N 3.36Å; L959-T961 VanDerWaalsContact O-N 3.09Å; L959-T961 PolarHBondContact O-OG1 2.97Å
960	T	36.9	Very low	35.4	Very low	102 Å²	102	99 Å²	99	63%	0.626	54%	0.543	S	S	*	.			trans	-55.1	112	165	35.8	0	0	0	0	108.3	S958 D962	S958-T960 PolarHBondContact O-N 2.99Å; T960-D962 PolarHBondContact O-N 3.44Å
961	T	33.9	Very low	35.1	Very low	81 Å²	81	99.4 Å²	99.4	50%	0.497	55%	0.55	S	S	.	*			trans	-85.7	0.9	-179.4	-50.9	0	0	0	0	111.1	L959 Q963 Q964	L959-T961 PolarHBondContact O-N 3.36Å; L959-T961 VanDerWaalsContact O-N 3.09Å; L959-T961 PolarHBondContact O-OG1 2.97Å; T961-Q963 PolarHBondContact O-N 3.28Å; T961-Q963 VanDerWaalsContact O-N 3.09Å; T961-Q964 PolarHBondContact O-N 3.48Å
962	D	35.8	Very low	34.7	Very low	111 Å²	111	103.4 Å²	103.4	59%	0.594	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	1.5	-169.6	-46.1	-59.2	0	0	0	114.1	T960	T960-D962 PolarHBondContact O-N 3.44Å
963	Q	34.5	Very low	34.2	Very low	173 Å²	173	112 Å²	112	81%	0.808	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	0.9	165.4	-71	-167.5	-9	0	0	114	T961	T961-Q963 PolarHBondContact O-N 3.28Å; T961-Q963 VanDerWaalsContact O-N 3.09Å
964	Q	32.2	Very low	33.8	Very low	160 Å²	160	120.7 Å²	120.7	75%	0.748	64%	0.643	S	S	*	*	S	Bend	trans	-113.9	3.1	175.9	-76.9	-161.7	-21.5	0	0	115.7	T961	T961-Q964 PolarHBondContact O-N 3.48Å
965	L	32.6	Very low	33.3	Very low	145 Å²	145	126 Å²	126	76%	0.759	67%	0.672	S	S	*	*	S	Bend	trans	-104	-2	173.8	-102.8	74.1	0	0	0	114.9
966	T	32.3	Very low	32.6	Very low	125 Å²	125	130.6 Å²	130.6	77%	0.767	70%	0.704	S	S	*	*	S	Bend	trans	-109.8	37.7	-177	-31.9	0	0	0	0	113.1
967	Q	31.2	Very low	32.1	Very low	167 Å²	167	136.6 Å²	136.6	78%	0.78	73%	0.73	S	S	*	*			trans	-128.5	73.9	159.7	-72.2	-167.7	11.7	0	0	109.2
968	Q	34.5	Very low	31.9	Very low	172 Å²	172	144.3 Å²	144.3	80%	0.804	76%	0.756	S	S	*	*			trans	-73.3	134.7	162.2	-74.2	-175.5	-14.8	0	0	109.5
969	S	30.7	Very low	31.5	Very low	110 Å²	110	147 Å²	147	77%	0.769	78%	0.775	S	S	*	*			trans	52	81.2	143.8	-52.4	0	0	0	0	118.1
970	T	36	Very low	31	Very low	149 Å²	149	145.6 Å²	145.6	91%	0.914	78%	0.775	S	S	*	*			trans	-153.6	143.6	131.1	13.8	0	0	0	0	110.6
971	S	29.1	Very low	30.7	Very low	110 Å²	110	147.2 Å²	147.2	77%	0.769	78%	0.779	S	S	*	*			trans	-94.8	111.8	178.3	52.7	0	0	0	0	111.1
972	Q	33.2	Very low	30.5	Very low	192 Å²	192	147.8 Å²	147.8	90%	0.897	79%	0.792	S	S	*	*			trans	-163.9	149.9	147.4	-112.5	161.1	71.9	0	0	111.1
973	Q	26.7	Very low	30.4	Very low	194 Å²	194	153 Å²	153	91%	0.907	81%	0.805	S	S	*	*			trans	-83.6	110.6	174.7	-68.6	172.5	-23.4	0	0	109.2
974	Q	32.6	Very low	30.7	Very low	185 Å²	185	150 Å²	150	86%	0.864	80%	0.798	S	S	*	*			trans	-147.8	153.5	160.6	-113.7	169.1	33.8	0	0	111.7	C976	Q974-C976 PolarHBondContact O-N 3.32Å
975	N	24.2	Very low	31	Very low	161 Å²	161	150.2 Å²	150.2	86%	0.861	80%	0.799	S	S	*	*			trans	-97.3	95.3	-158.4	-169.5	15	0	0	0	111.2
976	C	27.8	Very low	31.4	Very low	106 Å²	106	146.4 Å²	146.4	72%	0.716	78%	0.783	S	S	*	*			trans	-108.1	125	177.6	-69.1	0	0	0	0	111.2	Q974 Y978	Q974-C976 PolarHBondContact O-N 3.32Å; C976-Y978 PolarHBondContact O-N 2.97Å
977	Q	26.3	Very low	32	Very low	190 Å²	190	143 Å²	143	89%	0.888	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-69.3	123.1	178.2	-66	167.2	-50.5	0	0	110.5	S979	Q977-S979 PolarHBondContact O-N 3.4Å
978	Y	28.1	Very low	32.6	Very low	198 Å²	198	140.3 Å²	140.3	78%	0.776	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-74.5	117.7	167.2	-78	-91.2	0	0	0	109.5	C976	C976-Y978 PolarHBondContact O-N 2.97Å
979	S	25.6	Very low	33.4	Very low	105 Å²	105	132.5 Å²	132.5	73%	0.734	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-57.2	145.4	167.4	-53.1	0	0	0	0	110.4	Q977 L981	Q977-S979 PolarHBondContact O-N 3.4Å; S979-L981 PolarHBondContact O-N 2.94Å
980	P	27.1	Very low	34.3	Very low	121 Å²	121	133.2 Å²	133.2	79%	0.786	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-61.4	127.9	178.7	25.5	-33.7	0	0	0	110.3	A982	P980-A982 PolarHBondContact O-N 2.97Å
981	L	29.9	Very low	35	Very low	136 Å²	136	126.9 Å²	126.9	71%	0.712	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-51.6	124.9	170.4	-82.1	151.3	0	0	0	109.2	S979 Y983	S979-L981 PolarHBondContact O-N 2.94Å; L981-Y983 WeakPolarHBondContact O-CD2 3.4Å; L981-Y983 PolarHBondContact O-N 3.22Å
982	A	30.4	Very low	36	Very low	93 Å²	93	123 Å²	123	77%	0.769	65%	0.653	S	S	*	*			trans	-61.5	108.6	177.5	0	0	0	0	0	109.5	P980 T984	P980-A982 PolarHBondContact O-N 2.97Å; A982-T984 VanDerWaalsContact C-N 3.32Å; A982-T984 PolarHBondContact O-N 2.98Å
983	Y	32.4	Very low	37	Very low	221 Å²	221	119.3 Å²	119.3	87%	0.867	63%	0.633	S	S	*	*			trans	-67.7	87.9	176.7	-85.2	-103.2	0	0	0	109.6	L981 Q985	L981-Y983 WeakPolarHBondContact O-CD2 3.4Å; L981-Y983 PolarHBondContact O-N 3.22Å; Y983-Q985 PolarHBondContact O-N 3.21Å
984	T	41.1	Very low	38.2	Very low	110 Å²	110	116.9 Å²	116.9	68%	0.675	62%	0.622	S	S	*	*			trans	-62.8	103.9	167.5	23	0	0	0	0	108.8	A982	A982-T984 VanDerWaalsContact C-N 3.32Å; A982-T984 PolarHBondContact O-N 2.98Å
985	Q	40.1	Very low	39.1	Very low	165 Å²	165	109.8 Å²	109.8	77%	0.771	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-60	143.4	178.9	-69	-171.5	-1.5	0	0	110.5	Y983 T987	Y983-Q985 PolarHBondContact O-N 3.21Å; Q985-T987 PolarHBondContact O-N 3.49Å
986	P	41.1	Very low	40.5	Very low	64 Å²	64	106.5 Å²	106.5	42%	0.416	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-66.2	125.3	175.5	28.8	-35	0	0	0	110.4	I954 L956 I988	I954-P986 HydrophobicContact CG2-CB 3.93Å; L956-P986 HydrophobicContact CD2-CB 4.03Å; P986-I988 PolarHBondContact O-N 2.94Å
987	T	44.1	Very low	41.6	Very low	55 Å²	55	102.3 Å²	102.3	34%	0.337	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	118.3	179.3	-51.3	0	0	0	0	109.6	V955 Q985 L989 Y1006	V955-T987 PolarHBondContact N-O 3.44Å; V955-T987 PolarHBondContact O-N 3.23Å; Q985-T987 PolarHBondContact O-N 3.49Å; T987-L989 HydrophobicContact CG2-CD2 3.82Å; T987-L989 HydrophobicContact CG2-CG 4.32Å; T987-Y1006 HydrophobicContact CG2-CE1 4.34Å
988	I	44.1	Very low	42.9	Very low	110 Å²	110	93.4 Å²	93.4	56%	0.564	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	110.7	176.8	-54.7	178.7	0	0	0	108.5	A952 P986	A952-I988 HydrophobicContact CB-CG2 4.14Å; P986-I988 PolarHBondContact O-N 2.94Å
989	L	50.8	Low	44	Very low	7 Å²	7	87 Å²	87	4%	0.037	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.3	177.2	-57.8	178.7	0	0	0	110.4	A952 V953 V955 T987 G991 L998 I1000 Y1006	A952-L989 WeakPolarHBondContact CA-O 3.49Å; V953-L989 HydrophobicContact CB-CB 4.3Å; V953-L989 PolarHBondContact N-O 2.92Å; V953-L989 PolarHBondContact O-N 3.34Å; V955-L989 HydrophobicContact CG2-CD1 3.9Å; V955-L989 HydrophobicContact CG2-CG 4.37Å; T987-L989 HydrophobicContact CG2-CD2 3.82Å; T987-L989 HydrophobicContact CG2-CG 4.32Å; L989-G991 PolarHBondContact O-N 3.3Å; L989-L998 HydrophobicContact CD1-CD1 4.5Å; L989-L998 HydrophobicContact CD1-CD2 4.04Å; L989-I1000 HydrophobicContact CD1-CD1 4.47Å; L989-Y1006 HydrophobicContact CD1-CD1 4.29Å; L989-Y1006 HydrophobicContact CD1-CD2 4.32Å; L989-Y1006 HydrophobicContact CD1-CG 4.02Å; L989-Y1006 HydrophobicContact CD2-CD1 3.81Å; L989-Y1006 HydrophobicContact CD2-CD2 3.95Å; L989-Y1006 HydrophobicContact CD2-CE1 3.56Å; L989-Y1006 HydrophobicContact CD2-CE2 3.71Å; L989-Y1006 HydrophobicContact CD2-CG 4.01Å
990	T	48.8	Very low	45.2	Very low	125 Å²	125	82.7 Å²	82.7	77%	0.767	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	92.6	-175.7	52.9	0	0	0	0	112.5
991	G	50.9	Low	46.3	Very low	16 Å²	16	78.9 Å²	78.9	17%	0.165	43%	0.425	C	S	.	.			trans	78.4	147.9	165.1	0	0	0	0	0	116.1	N951 L989 Y1008	N951-G991 VanDerWaalsContact O-CA 3.23Å; N951-G991 WeakPolarHBondContact O-CA 3.37Å; N951-G991 PolarHBondContact O-N 3.48Å; L989-G991 PolarHBondContact O-N 3.3Å; G991-Y1008 PolarHBondContact O-OH 3.47Å; G991-Y1008 VanDerWaalsContact O-OH 3.05Å
992	P	50.8	Low	46.9	Very low	30 Å²	30	76.8 Å²	76.8	20%	0.195	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-71.6	127	162.1	29.6	-26.8	0	0	0	108.9	S929 F931 Q994	S929-P992 WeakPolarHBondContact OG-CG 3.33Å; F931-P992 HydrophobicContact CE1-CB 4.08Å; F931-P992 HydrophobicContact CE2-CB 4.23Å; F931-P992 HydrophobicContact CE2-CG 4.13Å; F931-P992 HydrophobicContact CZ-CB 3.65Å; F931-P992 HydrophobicContact CZ-CG 3.77Å; P992-Q994 PolarHBondContact O-N 3.3Å
993	K	53.1	Low	47.8	Very low	114 Å²	114	76.6 Å²	76.6	50%	0.496	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-71.5	125.1	167.6	-70.4	-177.9	179.6	-179	0	108.6	G995 Y996 Y1008	K993-G995 PolarHBondContact O-N 2.93Å; K993-Y996 HydrophobicContact CB-CD2 3.6Å; K993-Y996 HydrophobicContact CB-CE2 4.38Å; K993-Y996 HydrophobicContact CB-CG 3.98Å; K993-Y996 HydrophobicContact CD-CD2 4.29Å; K993-Y996 HydrophobicContact CD-CG 4.46Å; K993-Y996 PolarHBondContact O-N 3.38Å; K993-Y996 VanDerWaalsContact O-N 3.07Å; K993-Y1008 HydrophobicContact CB-CD1 4.06Å; K993-Y1008 HydrophobicContact CB-CE1 4.24Å; K993-Y1008 HydrophobicContact CD-CD1 4Å; K993-Y1008 HydrophobicContact CD-CD2 4.43Å; K993-Y1008 HydrophobicContact CD-CE1 4.37Å; K993-Y1008 HydrophobicContact CD-CG 4.03Å; K993-Y1008 HydrophobicContact CG-CD1 4.02Å; K993-Y1008 HydrophobicContact CG-CE1 4Å
994	Q	52	Low	48.6	Very low	142 Å²	142	68.5 Å²	68.5	66%	0.664	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	130.1	176.3	176.9	169.8	-26.4	0	0	110.3	N928 P992 Y996	N928-Q994 HydrophobicContact CB-CG 4.27Å; N928-Q994 VanDerWaalsContact ND2-CD 3.3Å; N928-Q994 PolarHBondContact ND2-NE2 3.38Å; N928-Q994 PolarHBondContact ND2-OE1 2.98Å; P992-Q994 PolarHBondContact O-N 3.3Å; Q994-Y996 WeakPolarHBondContact O-CD2 3.42Å
995	G	51.7	Low	49.1	Very low	36 Å²	36	69.8 Å²	69.8	37%	0.371	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	13.2	-175.3	0	0	0	0	0	114.9	K993 Q1011	K993-G995 PolarHBondContact O-N 2.93Å; G995-Q1011 PolarHBondContact O-N 3.46Å
996	Y	54.1	Low	50	Low	92 Å²	92	67.6 Å²	67.6	36%	0.361	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	140.2	175	-65.2	-104.7	0	0	0	112.1	K993 Q994 Y1008 V1009 P1010	K993-Y996 HydrophobicContact CB-CD2 3.6Å; K993-Y996 HydrophobicContact CB-CE2 4.38Å; K993-Y996 HydrophobicContact CB-CG 3.98Å; K993-Y996 HydrophobicContact CD-CD2 4.29Å; K993-Y996 HydrophobicContact CD-CG 4.46Å; K993-Y996 PolarHBondContact O-N 3.38Å; K993-Y996 VanDerWaalsContact O-N 3.07Å; Q994-Y996 WeakPolarHBondContact O-CD2 3.42Å; Y996-Y1008 WeakPolarHBondContact CD1-O 3.43Å; Y996-V1009 CarbonylContact C-O 3.51Å; Y996-V1009 VanDerWaalsContact CA-O 3.29Å; Y996-V1009 WeakPolarHBondContact CA-O 3.34Å; Y996-P1010 HydrophobicContact CD1-CG 4.22Å; Y996-P1010 HydrophobicContact CE1-CG 3.91Å
997	L	51.3	Low	50.9	Low	19 Å²	19	70.4 Å²	70.4	10%	0.099	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	119.7	166.8	-60.7	170.2	0	0	0	108.8	V930 I932 I999 V1009 Q1011	V930-L997 HydrophobicContact CB-CD2 4.04Å; V930-L997 HydrophobicContact CG1-CD2 3.9Å; I932-L997 HydrophobicContact CD1-CB 4.08Å; I932-L997 HydrophobicContact CD1-CD2 4.47Å; L997-I999 PolarHBondContact O-N 3.19Å; L997-V1009 PolarHBondContact N-O 3.04Å; L997-V1009 PolarHBondContact O-N 2.96Å; L997-Q1011 HydrophobicContact CG-CB 4.46Å
998	L	54.1	Low	51.7	Low	3 Å²	3	70 Å²	70	2%	0.016	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	105.3	169.9	177.9	61.4	0	0	0	109.3	F931 L989 I1000 Y1006 Y1008	F931-L998 HydrophobicContact CD1-CB 4.44Å; F931-L998 HydrophobicContact CD1-CD2 4.04Å; F931-L998 HydrophobicContact CE1-CD2 3.91Å; L989-L998 HydrophobicContact CD1-CD1 4.5Å; L989-L998 HydrophobicContact CD1-CD2 4.04Å; L998-I1000 HydrophobicContact CD2-CD1 4.39Å; L998-I1000 HydrophobicContact CD2-CG1 4.48Å; L998-I1000 HydrophobicContact CG-CG1 4.17Å; L998-Y1006 HydrophobicContact CD1-CD2 4.34Å; L998-Y1008 HydrophobicContact CB-CD1 4.39Å; L998-Y1008 HydrophobicContact CB-CE1 4.2Å; L998-Y1008 HydrophobicContact CD1-CD1 4.24Å; L998-Y1008 HydrophobicContact CD1-CD2 4.32Å; L998-Y1008 HydrophobicContact CD1-CE1 3.95Å; L998-Y1008 HydrophobicContact CD1-CE2 4.05Å; L998-Y1008 HydrophobicContact CD1-CG 4.42Å; L998-Y1008 HydrophobicContact CG-CE1 4.49Å
999	I	51.4	Low	52.4	Low	63 Å²	63	67 Å²	67	32%	0.323	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	133.4	167.9	-56.2	-176.4	0	0	0	107.8	I932 L997 Y1006 E1007 V1009	I932-I999 HydrophobicContact CD1-CG1 4.25Å; L997-I999 PolarHBondContact O-N 3.19Å; I999-Y1006 CarbonylContact O-C 3.52Å; I999-Y1006 WeakPolarHBondContact O-CA 3.44Å; I999-E1007 PolarHBondContact N-O 3.31Å; I999-E1007 PolarHBondContact O-N 3.3Å; I999-V1009 HydrophobicContact CD1-CB 4.34Å; I999-V1009 HydrophobicContact CD1-CG2 3.59Å; I999-V1009 HydrophobicContact CG1-CG2 4.19Å
1000	I	50.2	Low	52.5	Low	14 Å²	14	70.6 Å²	70.6	7%	0.072	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	148.4	166	-48.4	179.8	0	0	0	106.6	L934 V955 L989 L998 K1005	L934-I1000 HydrophobicContact CD1-CB 4.03Å; L934-I1000 HydrophobicContact CD1-CG2 3.89Å; L934-I1000 WeakPolarHBondContact CD2-O 3.43Å; L934-I1000 WeakPolarHBondContact CG-O 3.22Å; V955-I1000 HydrophobicContact CG2-CD1 3.94Å; L989-I1000 HydrophobicContact CD1-CD1 4.47Å; L998-I1000 HydrophobicContact CD2-CD1 4.39Å; L998-I1000 HydrophobicContact CD2-CG1 4.48Å; L998-I1000 HydrophobicContact CG-CG1 4.17Å; I1000-K1005 CarbonylContact C-O 3.32Å; I1000-K1005 WeakPolarHBondContact CA-O 3.45Å; I1000-K1005 WeakPolarHBondContact CG2-O 3.44Å
1001	T	49.5	Very low	52.8	Low	41 Å²	41	68.8 Å²	68.8	25%	0.252	35%	0.353	S	S	.	.			trans	-104.9	158.7	178.8	70.7	0	0	0	0	111.8	L934 D1003 N1004 K1005	L934-T1001 VanDerWaalsContact CD1-C 3.42Å; L934-T1001 WeakPolarHBondContact CD1-O 3.46Å; T1001-D1003 WeakPolarHBondContact CB-OD1 3.36Å; T1001-D1003 PolarHBondContact O-N 3.44Å; T1001-D1003 VanDerWaalsContact O-N 3.09Å; T1001-D1003 PolarHBondContact OG1-OD1 3.48Å; T1001-N1004 WeakPolarHBondContact O-CA 3.44Å; T1001-N1004 PolarHBondContact O-N 2.95Å; T1001-K1005 HydrophobicContact CG2-CB 4.28Å; T1001-K1005 PolarHBondContact N-O 3.47Å; T1001-K1005 WeakPolarHBondContact OG1-CB 3.45Å; T1001-K1005 PolarHBondContact OG1-N 2.94Å; T1001-K1005 VanDerWaalsContact OG1-N 3.11Å; T1001-K1005 PolarHBondContact OG1-O 3.27Å
1002	P	44	Very low	52.8	Low	92 Å²	92	75.8 Å²	75.8	60%	0.597	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-25.9	-180	-23.8	33.7	0	0	0	114.3	L934 N1004	L934-P1002 HydrophobicContact CD2-CG 3.94Å; P1002-N1004 VanDerWaalsContact C-N 3.3Å
1003	D	49.5	Very low	52.9	Low	89 Å²	89	78.1 Å²	78.1	48%	0.476	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	17.3	174.9	56.3	-43	0	0	0	113.9	T1001 K1005	T1001-D1003 WeakPolarHBondContact CB-OD1 3.36Å; T1001-D1003 PolarHBondContact O-N 3.44Å; T1001-D1003 VanDerWaalsContact O-N 3.09Å; T1001-D1003 PolarHBondContact OG1-OD1 3.48Å; D1003-K1005 PolarHBondContact O-N 3.09Å; D1003-K1005 WeakPolarHBondContact OD2-CD 3.35Å; D1003-K1005 WeakPolarHBondContact OD2-CE 3.49Å; D1003-K1005 IonicContact OD2-NZ 3.69Å; D1003-K1005 PolarHBondContact OD2-NZ 3.45Å
1004	N	47.2	Very low	52.9	Low	52 Å²	52	76.2 Å²	76.2	28%	0.278	40%	0.401	S	S	.	.	S	Bend	trans	63	13.2	176.5	-52.6	-79.8	0	0	0	116.4	T1001 P1002	T1001-N1004 WeakPolarHBondContact O-CA 3.44Å; T1001-N1004 PolarHBondContact O-N 2.95Å; P1002-N1004 VanDerWaalsContact C-N 3.3Å
1005	K	53.4	Low	52.9	Low	136 Å²	136	72.5 Å²	72.5	59%	0.591	39%	0.386	S	S	*	.			trans	-70.6	155.5	164.4	-54.8	175.1	-179.1	131.5	0	108.9	I1000 T1001 D1003	I1000-K1005 CarbonylContact C-O 3.32Å; I1000-K1005 WeakPolarHBondContact CA-O 3.45Å; I1000-K1005 WeakPolarHBondContact CG2-O 3.44Å; T1001-K1005 HydrophobicContact CG2-CB 4.28Å; T1001-K1005 PolarHBondContact N-O 3.47Å; T1001-K1005 WeakPolarHBondContact OG1-CB 3.45Å; T1001-K1005 PolarHBondContact OG1-N 2.94Å; T1001-K1005 VanDerWaalsContact OG1-N 3.11Å; T1001-K1005 PolarHBondContact OG1-O 3.27Å; D1003-K1005 PolarHBondContact O-N 3.09Å; D1003-K1005 WeakPolarHBondContact OD2-CD 3.35Å; D1003-K1005 WeakPolarHBondContact OD2-CE 3.49Å; D1003-K1005 IonicContact OD2-NZ 3.69Å; D1003-K1005 PolarHBondContact OD2-NZ 3.45Å
1006	Y	57.9	Low	53	Low	119 Å²	119	74.6 Å²	74.6	47%	0.467	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	152.3	-179.2	62.6	-87.5	0	0	0	111.5	T987 L989 L998 I999 Y1008	T987-Y1006 HydrophobicContact CG2-CE1 4.34Å; L989-Y1006 HydrophobicContact CD1-CD1 4.29Å; L989-Y1006 HydrophobicContact CD1-CD2 4.32Å; L989-Y1006 HydrophobicContact CD1-CG 4.02Å; L989-Y1006 HydrophobicContact CD2-CD1 3.81Å; L989-Y1006 HydrophobicContact CD2-CD2 3.95Å; L989-Y1006 HydrophobicContact CD2-CE1 3.56Å; L989-Y1006 HydrophobicContact CD2-CE2 3.71Å; L989-Y1006 HydrophobicContact CD2-CG 4.01Å; L998-Y1006 HydrophobicContact CD1-CD2 4.34Å; I999-Y1006 CarbonylContact O-C 3.52Å; I999-Y1006 WeakPolarHBondContact O-CA 3.44Å; Y1006-Y1008 HydrophobicContact CD2-CE2 4.41Å
1007	E	59.7	Low	52.9	Low	123 Å²	123	73.6 Å²	73.6	58%	0.575	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.9	142.4	-175.5	-173.4	174.6	-172.5	0	0	110	I999 V1009	I999-E1007 PolarHBondContact N-O 3.31Å; I999-E1007 PolarHBondContact O-N 3.3Å; E1007-V1009 HydrophobicContact CG-CG2 3.99Å
1008	Y	61.8	Low	53	Low	46 Å²	46	77.2 Å²	77.2	18%	0.18	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	102.5	171.9	-72.5	-88	0	0	0	108.7	G991 K993 Y996 L998 Y1006	G991-Y1008 PolarHBondContact O-OH 3.47Å; G991-Y1008 VanDerWaalsContact O-OH 3.05Å; K993-Y1008 HydrophobicContact CB-CD1 4.06Å; K993-Y1008 HydrophobicContact CB-CE1 4.24Å; K993-Y1008 HydrophobicContact CD-CD1 4Å; K993-Y1008 HydrophobicContact CD-CD2 4.43Å; K993-Y1008 HydrophobicContact CD-CE1 4.37Å; K993-Y1008 HydrophobicContact CD-CG 4.03Å; K993-Y1008 HydrophobicContact CG-CD1 4.02Å; K993-Y1008 HydrophobicContact CG-CE1 4Å; Y996-Y1008 WeakPolarHBondContact CD1-O 3.43Å; L998-Y1008 HydrophobicContact CB-CD1 4.39Å; L998-Y1008 HydrophobicContact CB-CE1 4.2Å; L998-Y1008 HydrophobicContact CD1-CD1 4.24Å; L998-Y1008 HydrophobicContact CD1-CD2 4.32Å; L998-Y1008 HydrophobicContact CD1-CE1 3.95Å; L998-Y1008 HydrophobicContact CD1-CE2 4.05Å; L998-Y1008 HydrophobicContact CD1-CG 4.42Å; L998-Y1008 HydrophobicContact CG-CE1 4.49Å; Y1006-Y1008 HydrophobicContact CD2-CE2 4.41Å
1009	V	57.4	Low	53	Low	48 Å²	48	82.5 Å²	82.5	29%	0.291	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	132.8	177.3	-178.9	0	0	0	0	108.9	Y996 L997 I999 E1007	Y996-V1009 CarbonylContact C-O 3.51Å; Y996-V1009 VanDerWaalsContact CA-O 3.29Å; Y996-V1009 WeakPolarHBondContact CA-O 3.34Å; L997-V1009 PolarHBondContact N-O 3.04Å; L997-V1009 PolarHBondContact O-N 2.96Å; I999-V1009 HydrophobicContact CD1-CB 4.34Å; I999-V1009 HydrophobicContact CD1-CG2 3.59Å; I999-V1009 HydrophobicContact CG1-CG2 4.19Å; E1007-V1009 HydrophobicContact CG-CG2 3.99Å
1010	P	53.5	Low	53.1	Low	83 Å²	83	84 Å²	84	54%	0.539	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	141.1	174.3	-26.1	35	0	0	0	112.2	Y996	Y996-P1010 HydrophobicContact CD1-CG 4.22Å; Y996-P1010 HydrophobicContact CE1-CG 3.91Å
1011	Q	55.3	Low	53.3	Low	87 Å²	87	89.8 Å²	89.8	41%	0.407	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-72.1	131.5	172.7	-174.9	176.1	-12.4	0	0	109.4	G995 L997	G995-Q1011 PolarHBondContact O-N 3.46Å; L997-Q1011 HydrophobicContact CG-CB 4.46Å
1012	P	50.8	Low	53.7	Low	162 Å²	162	94.3 Å²	94.3	100%	1.052	50%	0.496	S	S	*	.			trans	-74	0	174.3	33.1	-36.3	0	0	0	112.6

Retrieved 1,012 of 1,012 residues in 1368.5 ms (Link to these results)

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