G4VD90_SCHMA Loading...

Putative oxysterol-binding protein 1

AlphaFold DB , UniProt , Accession G4VD90, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 920 aa.

						>G4VD90_SCHMA|G4VD90
MSTAEPFAGWLYKWTNLIKGYKKRWFLIQDNLLSYYREPDAVGRHCRGTFDLTNAHLSVQDSGCSFILTESSGRKHHFKALSDEDKENWITALTDLISRSQVTHTEIESDYSSFNILRPDKENGCKRDSFRFTPKCRPKLDIKTTSLSVLPQPLANQSISLNNCQCASQSCSHDGLCNSTFNEKFRRIKIKHDLSKSDCRCVSDALISNSYSLPVYEQNVATNDLKMKSDTGRRLSRQYVFSIEDSNRLEVIEALKRRLHDHISNICSQVSNIESMLTSVSTELSSLLLQSRSFPLNADDRFSASDLERRTTSLKLALLEHRNDAKEFYEASTEALQFLTGTYARFNRQLVLEQERCITLERTVEQVAKELRSLEIQLKYHIPMVVEDKNINPIQSEETKQTVKQSVEKTLSEENSDEFYDAMSNLDMTEQRHNDSLVSTNNQPMVQMPRTLHYNSSSLPNSDITQVSSASLRSLVNVEETSVSGSDLELPNGYTNRTNVFTSMPSDGYPNTYNKNSTTDQHNNTLKYGQVRKRRNAIPVSPKIALNLWGIIKNAIGKDLAKIPIPVNFNEPLSFLQRAVEDFTYSHLLDYASQTRDPVEQMAYVVAFSVSCYSSTAYRVGKPFNSLLGETYECDRTDDMGWRCISEQVSHHPPGCSQYCESLRHKWKVWQDYFLSTKFRGKYLSISPKGTINLQFTDGSHYTWTKVTTVVHNLIVGTIWIDNYGDVTIENHKTGYSCNLQFIAHSYFNRGQSRRITGFVKNSTGLPVAVIQGTWDSYLEYQRLSIDKVPVGESVLLWKPDPLPPNASDMYHFSRFAIELNEMEDGVAPTDSRRRPDQRLMEQGLWDQANEEKRRLEAKQRNKRHAWEKAVREGQTDEPLFTPVWFSPKQDVNGNLYHEYLGNYWESKERQDWLKCPDIY
					

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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	34.3	Very low	68.8	Low	235 Å²	235	93.4 Å²	93.4	100%	1.158	54%	0.536	S	S	*	.				0	132.5	0	-69.7	179.7	176.4	0	0	107	T3	M1-T3 PolarHBondContact O-N 2.93Å
2	S	31.9	Very low	71	Confident	126 Å²	126	92.3 Å²	92.3	88%	0.881	52%	0.518	S	S	*	.			trans	-59	109.3	170.6	165.5	0	0	0	0	107.1	A4	S2-A4 PolarHBondContact O-N 3.29Å
3	T	40.5	Very low	72.7	Confident	129 Å²	129	87.2 Å²	87.2	79%	0.791	49%	0.487	S	S	*	.			trans	-68.5	104.5	174.5	48.3	0	0	0	0	106.1	M1 E5	M1-T3 PolarHBondContact O-N 2.93Å; T3-E5 PolarHBondContact O-N 3.48Å
4	A	48.3	Very low	73.7	Confident	88 Å²	88	87.6 Å²	87.6	73%	0.727	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-50.6	129.6	168.6	0	0	0	0	0	107.8	S2	S2-A4 PolarHBondContact O-N 3.29Å
5	E	58.1	Low	73.9	Confident	187 Å²	187	85 Å²	85	87%	0.874	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-54.6	129.6	178	-75.5	-175.8	159.3	0	0	109	T3 F7	T3-E5 PolarHBondContact O-N 3.48Å; E5-F7 PolarHBondContact O-N 2.88Å
6	P	75.3	Confident	73.6	Confident	70 Å²	70	83.6 Å²	83.6	46%	0.455	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-61.7	133.3	-179.4	24.9	-33.1	0	0	0	109.7	A8 L27 I28	P6-A8 PolarHBondContact O-N 2.68Å; P6-L27 HydrophobicContact CB-CD1 3.71Å; P6-L27 HydrophobicContact CG-CD1 3.79Å; P6-I28 VanDerWaalsContact CB-O 3.28Å; P6-I28 WeakPolarHBondContact CB-O 3.4Å
7	F	89.2	Confident	72.1	Confident	78 Å²	78	86.7 Å²	86.7	34%	0.342	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-63.5	120.8	-177.8	-171.7	-88.4	0	0	0	110	E5 I28 N88 W89 A92	E5-F7 PolarHBondContact O-N 2.88Å; F7-I28 HydrophobicContact CB-CD1 4.3Å; F7-I28 HydrophobicContact CD1-CD1 3.88Å; F7-I28 HydrophobicContact CG-CD1 4.47Å; F7-I28 PolarHBondContact O-N 2.93Å; F7-N88 HydrophobicContact CZ-CB 4.07Å; F7-W89 HydrophobicContact CD1-CE3 4.15Å; F7-W89 HydrophobicContact CD1-CH2 4.09Å; F7-W89 AromaticContact CD1-CZ3 3.91Å; F7-W89 HydrophobicContact CD1-CZ3 3.91Å; F7-W89 AromaticContact CE1-CD2 3.71Å; F7-W89 HydrophobicContact CE1-CD2 3.71Å; F7-W89 AromaticContact CE1-CE2 3.89Å; F7-W89 AromaticContact CE1-CE3 3.72Å; F7-W89 HydrophobicContact CE1-CE3 3.72Å; F7-W89 HydrophobicContact CE1-CG 4.29Å; F7-W89 HydrophobicContact CE1-CH2 4.02Å; F7-W89 HydrophobicContact CE1-CZ2 4.06Å; F7-W89 AromaticContact CE1-CZ3 3.88Å; F7-W89 HydrophobicContact CE1-CZ3 3.88Å; F7-A92 HydrophobicContact CB-CB 4.39Å; F7-A92 HydrophobicContact CD1-CB 3.69Å; F7-A92 HydrophobicContact CD2-CB 3.93Å; F7-A92 HydrophobicContact CE1-CB 3.85Å; F7-A92 HydrophobicContact CE2-CB 4.08Å; F7-A92 HydrophobicContact CG-CB 3.73Å; F7-A92 HydrophobicContact CZ-CB 4.05Å
8	A	92.8	Very high	70.8	Confident	38 Å²	38	89.5 Å²	89.5	31%	0.314	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	151.1	-176.6	0	0	0	0	0	111.5	P6 W25 F26 L27	P6-A8 PolarHBondContact O-N 2.68Å; A8-W25 HydrophobicContact CB-CZ2 3.72Å; A8-F26 CarbonylContact C-O 3.56Å; A8-F26 WeakPolarHBondContact CA-O 3.45Å; A8-F26 WeakPolarHBondContact CB-O 3.46Å; A8-L27 HydrophobicContact CB-CD1 3.81Å
9	G	93.9	Very high	70.2	Confident	10 Å²	10	91.7 Å²	91.7	10%	0.103	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.2	-177.8	-178.9	0	0	0	0	0	113.8	F26	G9-F26 PolarHBondContact N-O 3.34Å; G9-F26 PolarHBondContact O-N 3.46Å
10	W	96.3	Very high	70.4	Confident	66 Å²	66	88 Å²	88	25%	0.25	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	131.3	179	-73.7	106	0	0	0	111.7	K23 W25 R37 E38 P39 L81	W10-K23 HydrophobicContact CD2-CD 4.16Å; W10-K23 VanDerWaalsContact CD2-CE 3.49Å; W10-K23 HydrophobicContact CD2-CG 4.27Å; W10-K23 HydrophobicContact CE3-CB 4.45Å; W10-K23 HydrophobicContact CE3-CD 3.9Å; W10-K23 HydrophobicContact CE3-CG 3.62Å; W10-K23 VanDerWaalsContact CG-CE 3.44Å; W10-K23 HydrophobicContact CZ3-CD 4.35Å; W10-K23 HydrophobicContact CZ3-CG 4.15Å; W10-W25 AromaticContact CD1-CE3 3.63Å; W10-W25 AromaticContact CD1-CZ3 3.52Å; W10-W25 AromaticContact CD2-CE3 3.78Å; W10-W25 HydrophobicContact CD2-CE3 3.78Å; W10-W25 HydrophobicContact CD2-CZ3 4.45Å; W10-W25 AromaticContact CE2-CE3 3.64Å; W10-W25 HydrophobicContact CE3-CB 4.3Å; W10-W25 AromaticContact CG-CE3 3.81Å; W10-W25 HydrophobicContact CG-CE3 3.81Å; W10-W25 HydrophobicContact CG-CZ3 4.11Å; W10-W25 HydrophobicContact CH2-CB 4.44Å; W10-W25 HydrophobicContact CZ2-CE3 4.3Å; W10-W25 HydrophobicContact CZ3-CB 4.21Å; W10-W25 AromaticContact NE1-CE3 3.5Å; W10-W25 AromaticContact NE1-CZ3 3.53Å; W10-R37 VanDerWaalsContact CH2-O 3.27Å; W10-R37 WeakPolarHBondContact CH2-O 3.26Å; W10-R37 VanDerWaalsContact CZ3-O 3.29Å; W10-R37 WeakPolarHBondContact CZ3-O 3.46Å; W10-E38 HydrophobicContact CH2-CG 4.45Å; W10-P39 HydrophobicContact CZ2-CG 4.12Å; W10-L81 HydrophobicContact CB-CD1 3.65Å; W10-L81 HydrophobicContact CB-CG 4.4Å; W10-L81 HydrophobicContact CG-CD1 4.5Å
11	L	95.9	Very high	71.2	Confident	0 Å²	0	88 Å²	88	0%	0	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	154.8	164.7	-69.8	168.3	0	0	0	110.5	K23 R24 F26 F66 F78 A80 W89	L11-K23 WeakPolarHBondContact O-CA 3.42Å; L11-R24 PolarHBondContact N-O 2.88Å; L11-R24 PolarHBondContact O-N 3.47Å; L11-F26 HydrophobicContact CB-CD2 3.53Å; L11-F26 HydrophobicContact CB-CE2 3.56Å; L11-F26 HydrophobicContact CB-CG 4.48Å; L11-F26 HydrophobicContact CD1-CD2 4.02Å; L11-F26 HydrophobicContact CD1-CE2 4.39Å; L11-F26 HydrophobicContact CD1-CG 4.19Å; L11-F26 HydrophobicContact CG-CD2 4.11Å; L11-F66 HydrophobicContact CD1-CZ 3.9Å; L11-F66 HydrophobicContact CD2-CE1 4Å; L11-F66 HydrophobicContact CD2-CZ 3.89Å; L11-F78 HydrophobicContact CD1-CD1 4.48Å; L11-A80 HydrophobicContact CD2-CB 4Å; L11-W89 HydrophobicContact CD1-CD2 3.57Å; L11-W89 HydrophobicContact CD1-CE3 3.81Å; L11-W89 HydrophobicContact CD1-CG 4.08Å; L11-W89 HydrophobicContact CD1-CH2 4.23Å; L11-W89 HydrophobicContact CD1-CZ2 3.96Å; L11-W89 HydrophobicContact CD1-CZ3 4.13Å; L11-W89 HydrophobicContact CD2-CD2 4.06Å; L11-W89 HydrophobicContact CD2-CG 3.78Å; L11-W89 HydrophobicContact CG-CD2 3.87Å; L11-W89 VanDerWaalsContact CG-CE2 3.48Å; L11-W89 HydrophobicContact CG-CG 4.15Å; L11-W89 HydrophobicContact CG-CZ2 3.91Å
12	Y	95.4	Very high	73.8	Confident	81 Å²	81	80.6 Å²	80.6	32%	0.318	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	119	164.2	-70.8	-84.8	0	0	0	109.9	K22 K23 F78 K79 L81	Y12-K22 WeakPolarHBondContact CA-O 3.39Å; Y12-K23 HydrophobicContact CD1-CB 3.93Å; Y12-K23 HydrophobicContact CD1-CG 4.35Å; Y12-K23 HydrophobicContact CE1-CB 3.59Å; Y12-K23 HydrophobicContact CE1-CG 3.93Å; Y12-K23 HydrophobicContact CE2-CG 4.38Å; Y12-F78 CarbonylContact O-C 3.58Å; Y12-F78 VanDerWaalsContact O-CA 3.24Å; Y12-F78 WeakPolarHBondContact O-CA 3.39Å; Y12-K79 WeakPolarHBondContact CB-O 3.3Å; Y12-K79 PolarHBondContact N-O 2.97Å; Y12-K79 PolarHBondContact O-N 2.97Å; Y12-L81 HydrophobicContact CD2-CD2 4.28Å; Y12-L81 HydrophobicContact CE2-CD2 3.5Å
13	K	92.8	Very high	76.8	Confident	26 Å²	26	78.3 Å²	78.3	11%	0.113	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	134.2	173.2	179.4	-176.4	-177.6	-60.9	0	110.7	T15 Y21 K22 F26 Y35 F50 F78	K13-T15 PolarHBondContact O-N 3.36Å; K13-Y21 WeakPolarHBondContact O-CA 3.44Å; K13-K22 PolarHBondContact N-O 3.31Å; K13-K22 PolarHBondContact O-N 3.31Å; K13-F26 HydrophobicContact CB-CE2 4.43Å; K13-F26 HydrophobicContact CB-CZ 3.94Å; K13-F26 HydrophobicContact CD-CZ 4.31Å; K13-Y35 HydrophobicContact CD-CE1 4.3Å; K13-Y35 HydrophobicContact CD-CE2 4.44Å; K13-F50 HydrophobicContact CD-CZ 3.99Å; K13-F78 HydrophobicContact CB-CD1 4Å; K13-F78 HydrophobicContact CB-CE1 3.93Å; K13-F78 HydrophobicContact CD-CE1 4.16Å; K13-F78 HydrophobicContact CG-CD1 4.19Å; K13-F78 HydrophobicContact CG-CE1 3.77Å
14	W	87.3	Confident	79.3	Confident	92 Å²	92	74.8 Å²	74.8	35%	0.348	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	125.6	167.6	-173.1	-103.7	0	0	0	110.6	L17 Y21 H77	W14-L17 HydrophobicContact CZ2-CD2 4.44Å; W14-Y21 HydrophobicContact CB-CD1 4.18Å; W14-Y21 HydrophobicContact CB-CE1 3.83Å; W14-Y21 HydrophobicContact CD2-CE2 4.39Å; W14-Y21 HydrophobicContact CE3-CD1 4.28Å; W14-Y21 AromaticContact CE3-CD2 3.39Å; W14-Y21 HydrophobicContact CE3-CD2 3.39Å; W14-Y21 HydrophobicContact CE3-CE1 4.21Å; W14-Y21 AromaticContact CE3-CE2 3.29Å; W14-Y21 HydrophobicContact CE3-CE2 3.29Å; W14-Y21 AromaticContact CE3-CG 3.88Å; W14-Y21 HydrophobicContact CE3-CG 3.88Å; W14-Y21 AromaticContact CE3-CZ 3.72Å; W14-Y21 AromaticContact CZ3-CD2 3.68Å; W14-Y21 HydrophobicContact CZ3-CD2 3.68Å; W14-Y21 AromaticContact CZ3-CE2 3.65Å; W14-Y21 HydrophobicContact CZ3-CE2 3.65Å; W14-H77 HydrophobicContact CB-CB 3.8Å; W14-H77 PolarHBondContact N-O 3.42Å
15	T	76.5	Confident	81.5	Confident	49 Å²	49	73.1 Å²	73.1	30%	0.301	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-59.9	-177.7	56.1	0	0	0	0	111.9	K13 K19 G20 K22	K13-T15 PolarHBondContact O-N 3.36Å; T15-K19 WeakPolarHBondContact OG1-CB 3.4Å; T15-G20 PolarHBondContact N-O 2.96Å; T15-G20 PolarHBondContact OG1-O 2.93Å; T15-K22 HydrophobicContact CG2-CB 3.97Å; T15-K22 HydrophobicContact CG2-CG 3.78Å
16	N	68.5	Low	83.3	Confident	63 Å²	63	64.2 Å²	64.2	34%	0.337	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	172.9	171.4	56.3	49.3	0	0	0	109.4	I18 K19 G20	N16-I18 PolarHBondContact O-N 2.84Å; N16-I18 WeakPolarHBondContact OD1-CB 3.4Å; N16-I18 PolarHBondContact OD1-N 3.46Å; N16-I18 VanDerWaalsContact OD1-N 3.1Å; N16-K19 PolarHBondContact O-N 3.31Å; N16-K19 WeakPolarHBondContact OD1-CB 3.39Å; N16-K19 PolarHBondContact OD1-N 2.92Å; N16-G20 WeakPolarHBondContact O-CA 3.3Å; N16-G20 PolarHBondContact O-N 2.88Å
17	L	49.3	Very low	84.2	Confident	136 Å²	136	61.5 Å²	61.5	71%	0.712	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-33.2	179.7	-76.4	150.9	0	0	0	113.7	W14	W14-L17 HydrophobicContact CZ2-CD2 4.44Å
18	I	47.9	Very low	84.2	Confident	137 Å²	137	58 Å²	58	70%	0.703	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-41.2	-177.4	-59.6	171.5	0	0	0	111.3	N16	N16-I18 PolarHBondContact O-N 2.84Å; N16-I18 WeakPolarHBondContact OD1-CB 3.4Å; N16-I18 PolarHBondContact OD1-N 3.46Å; N16-I18 VanDerWaalsContact OD1-N 3.1Å
19	K	59.3	Low	83.7	Confident	131 Å²	131	61 Å²	61	57%	0.57	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-18.8	-172.4	-72.3	-176.5	-178.8	179.7	0	112.9	T15 N16 K22	T15-K19 WeakPolarHBondContact OG1-CB 3.4Å; N16-K19 PolarHBondContact O-N 3.31Å; N16-K19 WeakPolarHBondContact OD1-CB 3.39Å; N16-K19 PolarHBondContact OD1-N 2.92Å; K19-K22 WeakPolarHBondContact O-CE 3.46Å; K19-K22 PolarHBondContact O-NZ 2.95Å; K19-K22 VanDerWaalsContact O-NZ 3.17Å
20	G	74	Confident	83	Confident	17 Å²	17	66.8 Å²	66.8	18%	0.175	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	61.4	-148.7	-177	0	0	0	0	0	113.4	T15 N16	T15-G20 PolarHBondContact N-O 2.96Å; T15-G20 PolarHBondContact OG1-O 2.93Å; N16-G20 WeakPolarHBondContact O-CA 3.3Å; N16-G20 PolarHBondContact O-N 2.88Å
21	Y	88.5	Confident	82.5	Confident	88 Å²	88	66.2 Å²	66.2	35%	0.345	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	135.6	171.1	-77.4	-79.3	0	0	0	111.3	K13 W14 K79	K13-Y21 WeakPolarHBondContact O-CA 3.44Å; W14-Y21 HydrophobicContact CB-CD1 4.18Å; W14-Y21 HydrophobicContact CB-CE1 3.83Å; W14-Y21 HydrophobicContact CD2-CE2 4.39Å; W14-Y21 HydrophobicContact CE3-CD1 4.28Å; W14-Y21 AromaticContact CE3-CD2 3.39Å; W14-Y21 HydrophobicContact CE3-CD2 3.39Å; W14-Y21 HydrophobicContact CE3-CE1 4.21Å; W14-Y21 AromaticContact CE3-CE2 3.29Å; W14-Y21 HydrophobicContact CE3-CE2 3.29Å; W14-Y21 AromaticContact CE3-CG 3.88Å; W14-Y21 HydrophobicContact CE3-CG 3.88Å; W14-Y21 AromaticContact CE3-CZ 3.72Å; W14-Y21 AromaticContact CZ3-CD2 3.68Å; W14-Y21 HydrophobicContact CZ3-CD2 3.68Å; W14-Y21 AromaticContact CZ3-CE2 3.65Å; W14-Y21 HydrophobicContact CZ3-CE2 3.65Å; Y21-K79 HydrophobicContact CD1-CB 4.46Å; Y21-K79 HydrophobicContact CE1-CB 4.28Å
22	K	88.6	Confident	82.1	Confident	81 Å²	81	69.5 Å²	69.5	35%	0.352	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.9	173.4	-65.1	-61	-175.3	-157.4	0	110.4	Y12 K13 T15 K19 R24	Y12-K22 WeakPolarHBondContact CA-O 3.39Å; K13-K22 PolarHBondContact N-O 3.31Å; K13-K22 PolarHBondContact O-N 3.31Å; T15-K22 HydrophobicContact CG2-CB 3.97Å; T15-K22 HydrophobicContact CG2-CG 3.78Å; K19-K22 WeakPolarHBondContact O-CE 3.46Å; K19-K22 PolarHBondContact O-NZ 2.95Å; K19-K22 VanDerWaalsContact O-NZ 3.17Å; K22-R24 PolarHBondContact O-N 3.35Å
23	K	94.1	Very high	82	Confident	77 Å²	77	65.7 Å²	65.7	34%	0.335	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	128.8	173.6	-152.3	-174.3	176.2	179.9	0	109.2	W10 L11 Y12	W10-K23 HydrophobicContact CD2-CD 4.16Å; W10-K23 VanDerWaalsContact CD2-CE 3.49Å; W10-K23 HydrophobicContact CD2-CG 4.27Å; W10-K23 HydrophobicContact CE3-CB 4.45Å; W10-K23 HydrophobicContact CE3-CD 3.9Å; W10-K23 HydrophobicContact CE3-CG 3.62Å; W10-K23 VanDerWaalsContact CG-CE 3.44Å; W10-K23 HydrophobicContact CZ3-CD 4.35Å; W10-K23 HydrophobicContact CZ3-CG 4.15Å; L11-K23 WeakPolarHBondContact O-CA 3.42Å; Y12-K23 HydrophobicContact CD1-CB 3.93Å; Y12-K23 HydrophobicContact CD1-CG 4.35Å; Y12-K23 HydrophobicContact CE1-CB 3.59Å; Y12-K23 HydrophobicContact CE1-CG 3.93Å; Y12-K23 HydrophobicContact CE2-CG 4.38Å
24	R	94.4	Very high	81.9	Confident	56 Å²	56	65.2 Å²	65.2	21%	0.211	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	146.8	179.5	-65	-66.2	177.9	-102.7	3.5	109.2	L11 K22 F26 Y35 Y36	L11-R24 PolarHBondContact N-O 2.88Å; L11-R24 PolarHBondContact O-N 3.47Å; K22-R24 PolarHBondContact O-N 3.35Å; R24-F26 HydrophobicContact CB-CD2 4.18Å; R24-F26 HydrophobicContact CB-CE2 3.55Å; R24-F26 HydrophobicContact CB-CZ 4.06Å; R24-F26 VanDerWaalsContact O-CD2 3.29Å; R24-F26 WeakPolarHBondContact O-CD2 3.39Å; R24-Y35 HydrophobicContact CB-CD2 3.93Å; R24-Y35 HydrophobicContact CG-CD2 3.73Å; R24-Y35 HydrophobicContact CG-CE2 4.16Å; R24-Y36 WeakPolarHBondContact CA-O 3.43Å; R24-Y36 WeakPolarHBondContact CB-O 3.33Å; R24-Y36 VanDerWaalsContact CD-O 3.25Å; R24-Y36 WeakPolarHBondContact CD-O 3.34Å
25	W	94.1	Very high	82.2	Confident	52 Å²	52	62.6 Å²	62.6	20%	0.197	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	124.2	172.3	-176.1	-100.5	0	0	0	108.3	A8 W10 Y35 Y36 P39	A8-W25 HydrophobicContact CB-CZ2 3.72Å; W10-W25 AromaticContact CD1-CE3 3.63Å; W10-W25 AromaticContact CD1-CZ3 3.52Å; W10-W25 AromaticContact CD2-CE3 3.78Å; W10-W25 HydrophobicContact CD2-CE3 3.78Å; W10-W25 HydrophobicContact CD2-CZ3 4.45Å; W10-W25 AromaticContact CE2-CE3 3.64Å; W10-W25 HydrophobicContact CE3-CB 4.3Å; W10-W25 AromaticContact CG-CE3 3.81Å; W10-W25 HydrophobicContact CG-CE3 3.81Å; W10-W25 HydrophobicContact CG-CZ3 4.11Å; W10-W25 HydrophobicContact CH2-CB 4.44Å; W10-W25 HydrophobicContact CZ2-CE3 4.3Å; W10-W25 HydrophobicContact CZ3-CB 4.21Å; W10-W25 AromaticContact NE1-CE3 3.5Å; W10-W25 AromaticContact NE1-CZ3 3.53Å; W25-Y35 CarbonylContact O-C 3.31Å; W25-Y35 VanDerWaalsContact O-CA 3.22Å; W25-Y35 WeakPolarHBondContact O-CA 3.42Å; W25-Y36 PolarHBondContact N-O 3.43Å; W25-Y36 PolarHBondContact O-N 3.44Å; W25-P39 HydrophobicContact CD2-CB 4.01Å; W25-P39 HydrophobicContact CD2-CG 3.72Å; W25-P39 HydrophobicContact CE3-CB 4.46Å; W25-P39 HydrophobicContact CE3-CG 3.74Å; W25-P39 HydrophobicContact CG-CB 4.25Å; W25-P39 HydrophobicContact CG-CG 4.12Å; W25-P39 HydrophobicContact CH2-CG 4.48Å; W25-P39 HydrophobicContact CZ2-CB 4.34Å; W25-P39 HydrophobicContact CZ2-CG 4.49Å; W25-P39 HydrophobicContact CZ3-CG 4.12Å
26	F	96.2	Very high	82.9	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	143.6	-179.3	-76.9	-90.1	0	0	0	109.7	A8 G9 L11 K13 R24 L33 S34 Y35 F50 F78 W89	A8-F26 CarbonylContact C-O 3.56Å; A8-F26 WeakPolarHBondContact CA-O 3.45Å; A8-F26 WeakPolarHBondContact CB-O 3.46Å; G9-F26 PolarHBondContact N-O 3.34Å; G9-F26 PolarHBondContact O-N 3.46Å; L11-F26 HydrophobicContact CB-CD2 3.53Å; L11-F26 HydrophobicContact CB-CE2 3.56Å; L11-F26 HydrophobicContact CB-CG 4.48Å; L11-F26 HydrophobicContact CD1-CD2 4.02Å; L11-F26 HydrophobicContact CD1-CE2 4.39Å; L11-F26 HydrophobicContact CD1-CG 4.19Å; L11-F26 HydrophobicContact CG-CD2 4.11Å; K13-F26 HydrophobicContact CB-CE2 4.43Å; K13-F26 HydrophobicContact CB-CZ 3.94Å; K13-F26 HydrophobicContact CD-CZ 4.31Å; R24-F26 HydrophobicContact CB-CD2 4.18Å; R24-F26 HydrophobicContact CB-CE2 3.55Å; R24-F26 HydrophobicContact CB-CZ 4.06Å; R24-F26 VanDerWaalsContact O-CD2 3.29Å; R24-F26 WeakPolarHBondContact O-CD2 3.39Å; F26-L33 HydrophobicContact CB-CD1 4.03Å; F26-L33 HydrophobicContact CD1-CD1 3.72Å; F26-L33 HydrophobicContact CD1-CD2 4.24Å; F26-L33 HydrophobicContact CD1-CG 3.85Å; F26-L33 HydrophobicContact CE1-CG 4.45Å; F26-L33 HydrophobicContact CG-CD1 4.29Å; F26-S34 CarbonylContact C-O 3.52Å; F26-S34 WeakPolarHBondContact CA-O 3.29Å; F26-Y35 VanDerWaalsContact CD1-CB 3.43Å; F26-Y35 HydrophobicContact CD1-CG 4.45Å; F26-Y35 HydrophobicContact CE1-CD1 4.06Å; F26-Y35 AromaticContact CE1-CG 3.78Å; F26-Y35 HydrophobicContact CE1-CG 3.78Å; F26-Y35 HydrophobicContact CZ-CD2 4.49Å; F26-Y35 AromaticContact CZ-CG 3.99Å; F26-Y35 HydrophobicContact CZ-CG 3.99Å; F26-F50 AromaticContact CE1-CE2 3.88Å; F26-F50 HydrophobicContact CE1-CE2 3.88Å; F26-F78 AromaticContact CE1-CE1 3.86Å; F26-F78 HydrophobicContact CE1-CE1 3.86Å; F26-F78 HydrophobicContact CE1-CZ 4.4Å; F26-F78 HydrophobicContact CZ-CD1 4.21Å; F26-F78 AromaticContact CZ-CE1 3.66Å; F26-F78 HydrophobicContact CZ-CE1 3.66Å; F26-W89 HydrophobicContact CB-CH2 3.33Å; F26-W89 HydrophobicContact CB-CZ2 3.88Å; F26-W89 HydrophobicContact CB-CZ3 4.12Å; F26-W89 HydrophobicContact CG-CH2 4.38Å
27	L	92.5	Very high	83.7	Confident	13 Å²	13	64.6 Å²	64.6	7%	0.068	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	128	176.5	174.8	67.5	0	0	0	107.7	P6 A8 S34 Y36 V42	P6-L27 HydrophobicContact CB-CD1 3.71Å; P6-L27 HydrophobicContact CG-CD1 3.79Å; A8-L27 HydrophobicContact CB-CD1 3.81Å; L27-S34 PolarHBondContact N-O 3.3Å; L27-S34 PolarHBondContact O-N 3.1Å; L27-Y36 HydrophobicContact CB-CE2 4.26Å; L27-V42 HydrophobicContact CD2-CG1 3.71Å
28	I	89.5	Confident	85.4	Confident	5 Å²	5	63.9 Å²	63.9	3%	0.026	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	122.2	171.1	-49.4	171.4	0	0	0	109.6	P6 F7 L32 L33 L52 W89 A92 L93 L96	P6-I28 VanDerWaalsContact CB-O 3.28Å; P6-I28 WeakPolarHBondContact CB-O 3.4Å; F7-I28 HydrophobicContact CB-CD1 4.3Å; F7-I28 HydrophobicContact CD1-CD1 3.88Å; F7-I28 HydrophobicContact CG-CD1 4.47Å; F7-I28 PolarHBondContact O-N 2.93Å; I28-L32 WeakPolarHBondContact CA-O 3.37Å; I28-L33 HydrophobicContact CG1-CD1 3.66Å; I28-L52 HydrophobicContact CG2-CD1 3.92Å; I28-W89 HydrophobicContact CD1-CE3 4.32Å; I28-W89 HydrophobicContact CD1-CZ3 3.82Å; I28-W89 HydrophobicContact CG1-CZ3 3.97Å; I28-A92 HydrophobicContact CD1-CB 4.14Å; I28-L93 HydrophobicContact CD1-CD2 3.81Å; I28-L93 HydrophobicContact CD1-CG 4.31Å; I28-L93 HydrophobicContact CG1-CD2 4.46Å; I28-L96 HydrophobicContact CB-CD1 4.08Å; I28-L96 HydrophobicContact CD1-CD1 4.13Å; I28-L96 HydrophobicContact CG2-CD1 3.13Å
29	Q	83	Confident	87.2	Confident	101 Å²	101	59.6 Å²	59.6	47%	0.472	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	136.6	179.3	-167.6	-177.1	-24.3	0	0	109.5	N31 L32	Q29-N31 PolarHBondContact O-N 3.2Å; Q29-L32 PolarHBondContact N-O 3.45Å; Q29-L32 WeakPolarHBondContact O-CA 3.31Å; Q29-L32 VanDerWaalsContact O-CB 3.29Å; Q29-L32 WeakPolarHBondContact O-CB 3.38Å; Q29-L32 PolarHBondContact O-N 3.47Å; Q29-L32 VanDerWaalsContact O-O 3.13Å
30	D	79.4	Confident	88.2	Confident	132 Å²	132	60 Å²	60	71%	0.706	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	48.7	171.6	-54.1	-37.1	0	0	0	114.9	L32	D30-L32 PolarHBondContact O-N 2.91Å
31	N	84.9	Confident	88.5	Confident	54 Å²	54	60 Å²	60	29%	0.289	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	14.5	-174.1	-67.3	-18.9	0	0	0	115.5	Q29 L52	Q29-N31 PolarHBondContact O-N 3.2Å; N31-L52 VanDerWaalsContact O-CB 3.23Å; N31-L52 WeakPolarHBondContact O-CB 3.34Å; N31-L52 WeakPolarHBondContact O-CG 3.44Å; N31-L52 PolarHBondContact O-N 3Å
32	L	88.8	Confident	88.1	Confident	69 Å²	69	58.5 Å²	58.5	36%	0.361	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	133.6	179.1	-61.3	176.5	0	0	0	110.9	I28 Q29 D30 T49 F50 D51	I28-L32 WeakPolarHBondContact CA-O 3.37Å; Q29-L32 PolarHBondContact N-O 3.45Å; Q29-L32 WeakPolarHBondContact O-CA 3.31Å; Q29-L32 VanDerWaalsContact O-CB 3.29Å; Q29-L32 WeakPolarHBondContact O-CB 3.38Å; Q29-L32 PolarHBondContact O-N 3.47Å; Q29-L32 VanDerWaalsContact O-O 3.13Å; D30-L32 PolarHBondContact O-N 2.91Å; L32-T49 HydrophobicContact CB-CG2 3.58Å; L32-T49 HydrophobicContact CD1-CG2 4.05Å; L32-T49 HydrophobicContact CD2-CG2 3.9Å; L32-T49 HydrophobicContact CG-CG2 4.04Å; L32-F50 WeakPolarHBondContact CA-O 3.47Å; L32-D51 HydrophobicContact CD2-CB 4.36Å
33	L	92.3	Very high	87.4	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	98	168.1	178	65.2	0	0	0	108.9	F26 I28 T49 F50 L52 L68 F78 W89 L93	F26-L33 HydrophobicContact CB-CD1 4.03Å; F26-L33 HydrophobicContact CD1-CD1 3.72Å; F26-L33 HydrophobicContact CD1-CD2 4.24Å; F26-L33 HydrophobicContact CD1-CG 3.85Å; F26-L33 HydrophobicContact CE1-CG 4.45Å; F26-L33 HydrophobicContact CG-CD1 4.29Å; I28-L33 HydrophobicContact CG1-CD1 3.66Å; L33-T49 CarbonylContact O-C 3.54Å; L33-T49 WeakPolarHBondContact O-CA 3.38Å; L33-F50 HydrophobicContact CB-CB 4.37Å; L33-F50 HydrophobicContact CB-CD2 4.13Å; L33-F50 HydrophobicContact CD2-CD2 3.86Å; L33-F50 HydrophobicContact CD2-CE2 4.47Å; L33-F50 HydrophobicContact CG-CD2 3.95Å; L33-F50 PolarHBondContact N-O 3.45Å; L33-F50 WeakPolarHBondContact O-CD2 3.41Å; L33-F50 PolarHBondContact O-N 2.85Å; L33-L52 HydrophobicContact CB-CD1 4.16Å; L33-L52 HydrophobicContact CB-CD2 3.97Å; L33-L52 HydrophobicContact CB-CG 4.19Å; L33-L68 HydrophobicContact CD2-CD2 3.99Å; L33-F78 HydrophobicContact CD2-CE2 4.47Å; L33-F78 HydrophobicContact CD2-CZ 4.3Å; L33-W89 HydrophobicContact CD1-CH2 4.47Å; L33-W89 HydrophobicContact CD1-CZ3 3.92Å; L33-L93 HydrophobicContact CD2-CD2 4.15Å
34	S	91.6	Very high	86.3	Confident	17 Å²	17	64.1 Å²	64.1	12%	0.119	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	150.6	179.7	-67.1	0	0	0	0	111.4	F26 L27 G48 T49	F26-S34 CarbonylContact C-O 3.52Å; F26-S34 WeakPolarHBondContact CA-O 3.29Å; L27-S34 PolarHBondContact N-O 3.3Å; L27-S34 PolarHBondContact O-N 3.1Å; S34-G48 WeakPolarHBondContact CA-O 3.48Å; S34-T49 VanDerWaalsContact OG-CG2 3.31Å; S34-T49 WeakPolarHBondContact OG-CG2 3.38Å; S34-T49 PolarHBondContact OG-OG1 3.04Å
35	Y	92.7	Very high	85.4	Confident	37 Å²	37	65.6 Å²	65.6	15%	0.145	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	150.2	179.9	79.4	-87.5	0	0	0	115.3	K13 R24 W25 F26 R47 G48 F50	K13-Y35 HydrophobicContact CD-CE1 4.3Å; K13-Y35 HydrophobicContact CD-CE2 4.44Å; R24-Y35 HydrophobicContact CB-CD2 3.93Å; R24-Y35 HydrophobicContact CG-CD2 3.73Å; R24-Y35 HydrophobicContact CG-CE2 4.16Å; W25-Y35 CarbonylContact O-C 3.31Å; W25-Y35 VanDerWaalsContact O-CA 3.22Å; W25-Y35 WeakPolarHBondContact O-CA 3.42Å; F26-Y35 VanDerWaalsContact CD1-CB 3.43Å; F26-Y35 HydrophobicContact CD1-CG 4.45Å; F26-Y35 HydrophobicContact CE1-CD1 4.06Å; F26-Y35 AromaticContact CE1-CG 3.78Å; F26-Y35 HydrophobicContact CE1-CG 3.78Å; F26-Y35 HydrophobicContact CZ-CD2 4.49Å; F26-Y35 AromaticContact CZ-CG 3.99Å; F26-Y35 HydrophobicContact CZ-CG 3.99Å; Y35-R47 HydrophobicContact CD2-CB 3.74Å; Y35-R47 HydrophobicContact CE2-CB 3.32Å; Y35-R47 HydrophobicContact CE2-CG 4.39Å; Y35-R47 WeakPolarHBondContact O-CB 3.27Å; Y35-R47 PolarHBondContact O-N 3.4Å; Y35-R47 PolarHBondContact OH-O 3.4Å; Y35-G48 WeakPolarHBondContact CD1-O 3.5Å; Y35-G48 PolarHBondContact N-O 2.96Å; Y35-F50 AromaticContact CD1-CE2 3.92Å; Y35-F50 HydrophobicContact CD1-CE2 3.92Å; Y35-F50 AromaticContact CD1-CZ 3.69Å; Y35-F50 HydrophobicContact CD1-CZ 3.69Å; Y35-F50 HydrophobicContact CE1-CE1 4.25Å; Y35-F50 HydrophobicContact CE1-CE2 4.31Å; Y35-F50 AromaticContact CE1-CZ 3.6Å; Y35-F50 HydrophobicContact CE1-CZ 3.6Å
36	Y	92	Very high	84.8	Confident	20 Å²	20	66 Å²	66	8%	0.078	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	165.1	-169.9	-56.2	-92.6	0	0	0	110	R24 W25 L27 E38 A41 V42 H45 C46	R24-Y36 WeakPolarHBondContact CA-O 3.43Å; R24-Y36 WeakPolarHBondContact CB-O 3.33Å; R24-Y36 VanDerWaalsContact CD-O 3.25Å; R24-Y36 WeakPolarHBondContact CD-O 3.34Å; W25-Y36 PolarHBondContact N-O 3.43Å; W25-Y36 PolarHBondContact O-N 3.44Å; L27-Y36 HydrophobicContact CB-CE2 4.26Å; Y36-E38 WeakPolarHBondContact CB-O 3.45Å; Y36-A41 HydrophobicContact CD1-CB 4.29Å; Y36-A41 VanDerWaalsContact CD1-O 3.23Å; Y36-A41 WeakPolarHBondContact CD1-O 3.33Å; Y36-A41 WeakPolarHBondContact CE1-O 3.09Å; Y36-V42 HydrophobicContact CD1-CG2 4.5Å; Y36-V42 HydrophobicContact CD2-CG2 3.74Å; Y36-V42 HydrophobicContact CE2-CG2 3.9Å; Y36-V42 HydrophobicContact CG-CG2 4.08Å; Y36-H45 WeakPolarHBondContact CD1-O 3.33Å; Y36-C46 HydrophobicContact CD1-CB 4.41Å; Y36-C46 HydrophobicContact CE1-CB 3.66Å
37	R	84.7	Confident	84.2	Confident	134 Å²	134	71.5 Å²	71.5	51%	0.506	36%	0.364	S	S	.	.	S	Bend	trans	-71.4	-42.1	173	-76.1	-172.6	-176.4	170.9	2.3	111.1	W10 R47	W10-R37 VanDerWaalsContact CH2-O 3.27Å; W10-R37 WeakPolarHBondContact CH2-O 3.26Å; W10-R37 VanDerWaalsContact CZ3-O 3.29Å; W10-R37 WeakPolarHBondContact CZ3-O 3.46Å; R37-R47 HydrophobicContact CG-CG 4.41Å; R37-R47 VanDerWaalsContact NE-NH2 3.19Å
38	E	85	Confident	83.8	Confident	120 Å²	120	72 Å²	72	56%	0.561	37%	0.372	S	S	*	.	S	Bend	trans	-142.9	157.8	-173	-74.8	163	-157.1	0	0	109.5	W10 Y36 D40 A41	W10-E38 HydrophobicContact CH2-CG 4.45Å; Y36-E38 WeakPolarHBondContact CB-O 3.45Å; E38-D40 VanDerWaalsContact C-N 3.3Å; E38-D40 PolarHBondContact O-N 3.48Å; E38-A41 WeakPolarHBondContact O-CB 3.45Å; E38-A41 PolarHBondContact O-N 2.86Å
39	P	84.9	Confident	83.8	Confident	47 Å²	47	74.7 Å²	74.7	31%	0.305	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-58.5	-39.2	179.8	-21.3	31.8	0	0	0	113.2	W10 W25 A41 V42	W10-P39 HydrophobicContact CZ2-CG 4.12Å; W25-P39 HydrophobicContact CD2-CB 4.01Å; W25-P39 HydrophobicContact CD2-CG 3.72Å; W25-P39 HydrophobicContact CE3-CB 4.46Å; W25-P39 HydrophobicContact CE3-CG 3.74Å; W25-P39 HydrophobicContact CG-CB 4.25Å; W25-P39 HydrophobicContact CG-CG 4.12Å; W25-P39 HydrophobicContact CH2-CG 4.48Å; W25-P39 HydrophobicContact CZ2-CB 4.34Å; W25-P39 HydrophobicContact CZ2-CG 4.49Å; W25-P39 HydrophobicContact CZ3-CG 4.12Å; P39-A41 PolarHBondContact O-N 2.89Å; P39-V42 WeakPolarHBondContact O-CB 3.34Å; P39-V42 WeakPolarHBondContact O-CG2 3.49Å; P39-V42 PolarHBondContact O-N 3.31Å; P39-V42 VanDerWaalsContact O-N 3.12Å
40	D	81.7	Confident	84.1	Confident	140 Å²	140	70.4 Å²	70.4	75%	0.749	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-68.1	-10.9	-177.3	-55.8	-22.8	0	0	0	113.4	E38	E38-D40 VanDerWaalsContact C-N 3.3Å; E38-D40 PolarHBondContact O-N 3.48Å
41	A	79.2	Confident	84.4	Confident	16 Å²	16	67 Å²	67	13%	0.132	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-88	-5.5	177.6	0	0	0	0	0	113.6	Y36 E38 P39 G43 R44 H45	Y36-A41 HydrophobicContact CD1-CB 4.29Å; Y36-A41 VanDerWaalsContact CD1-O 3.23Å; Y36-A41 WeakPolarHBondContact CD1-O 3.33Å; Y36-A41 WeakPolarHBondContact CE1-O 3.09Å; E38-A41 WeakPolarHBondContact O-CB 3.45Å; E38-A41 PolarHBondContact O-N 2.86Å; P39-A41 PolarHBondContact O-N 2.89Å; A41-G43 PolarHBondContact O-N 2.86Å; A41-R44 PolarHBondContact O-N 3.01Å; A41-H45 HydrophobicContact CB-CB 4.42Å; A41-H45 PolarHBondContact O-N 3.4Å
42	V	80.4	Confident	84.6	Confident	57 Å²	57	64.5 Å²	64.5	35%	0.345	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	129.6	175.4	174.3	0	0	0	0	109.3	L27 Y36 P39 R44	L27-V42 HydrophobicContact CD2-CG1 3.71Å; Y36-V42 HydrophobicContact CD1-CG2 4.5Å; Y36-V42 HydrophobicContact CD2-CG2 3.74Å; Y36-V42 HydrophobicContact CE2-CG2 3.9Å; Y36-V42 HydrophobicContact CG-CG2 4.08Å; P39-V42 WeakPolarHBondContact O-CB 3.34Å; P39-V42 WeakPolarHBondContact O-CG2 3.49Å; P39-V42 PolarHBondContact O-N 3.31Å; P39-V42 VanDerWaalsContact O-N 3.12Å; V42-R44 VanDerWaalsContact C-N 3.31Å; V42-R44 PolarHBondContact O-N 3.38Å
43	G	73.7	Confident	84.4	Confident	74 Å²	74	63.2 Å²	63.2	76%	0.763	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.5	-10.7	-175	0	0	0	0	0	116.3	A41	A41-G43 PolarHBondContact O-N 2.86Å
44	R	71.9	Confident	84	Confident	202 Å²	202	67.7 Å²	67.7	76%	0.762	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	-52.7	179.4	-62.2	-177.9	-175.5	170.2	3	113.7	A41 V42	A41-R44 PolarHBondContact O-N 3.01Å; V42-R44 VanDerWaalsContact C-N 3.31Å; V42-R44 PolarHBondContact O-N 3.38Å
45	H	74.3	Confident	83.9	Confident	87 Å²	87	67 Å²	67	40%	0.403	35%	0.352	S	S	.	.			trans	-130.6	64.9	-168.9	-56.2	-77.1	0	0	0	112.5	Y36 A41 R47 E418	Y36-H45 WeakPolarHBondContact CD1-O 3.33Å; A41-H45 HydrophobicContact CB-CB 4.42Å; A41-H45 PolarHBondContact O-N 3.4Å; H45-R47 PolarHBondContact O-N 2.89Å; H45-E418 IonicContact CE1-OE1 3.22Å; H45-E418 PolarHBondContact CE1-OE1 3.43Å; H45-E418 VanDerWaalsContact CE1-OE1 3.31Å; H45-E418 IonicContact NE2-OE1 3.48Å
46	C	82.9	Confident	83.7	Confident	62 Å²	62	71 Å²	71	42%	0.419	37%	0.372	S	S	.	.			trans	-60.9	129.1	173.6	-171.9	0	0	0	0	110.3	Y36 G48	Y36-C46 HydrophobicContact CD1-CB 4.41Å; Y36-C46 HydrophobicContact CE1-CB 3.66Å; C46-G48 PolarHBondContact SG-O 2.96Å
47	R	83.7	Confident	83.7	Confident	114 Å²	114	71.4 Å²	71.4	43%	0.43	38%	0.375	S	S	.	.			trans	-92.2	-13.8	179.6	-66.1	-65.8	-179.2	173	-11.4	112.8	Y35 R37 H45	Y35-R47 HydrophobicContact CD2-CB 3.74Å; Y35-R47 HydrophobicContact CE2-CB 3.32Å; Y35-R47 HydrophobicContact CE2-CG 4.39Å; Y35-R47 WeakPolarHBondContact O-CB 3.27Å; Y35-R47 PolarHBondContact O-N 3.4Å; Y35-R47 PolarHBondContact OH-O 3.4Å; R37-R47 HydrophobicContact CG-CG 4.41Å; R37-R47 VanDerWaalsContact NE-NH2 3.19Å; H45-R47 PolarHBondContact O-N 2.89Å
48	G	84.5	Confident	84	Confident	24 Å²	24	67.6 Å²	67.6	25%	0.247	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.4	164.9	174.7	0	0	0	0	0	111.1	S34 Y35 C46	S34-G48 WeakPolarHBondContact CA-O 3.48Å; Y35-G48 WeakPolarHBondContact CD1-O 3.5Å; Y35-G48 PolarHBondContact N-O 2.96Å; C46-G48 PolarHBondContact SG-O 2.96Å
49	T	88.9	Confident	84.1	Confident	62 Å²	62	64.7 Å²	64.7	38%	0.38	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	143	-174.1	-58.1	0	0	0	0	109.2	L32 L33 S34	L32-T49 HydrophobicContact CB-CG2 3.58Å; L32-T49 HydrophobicContact CD1-CG2 4.05Å; L32-T49 HydrophobicContact CD2-CG2 3.9Å; L32-T49 HydrophobicContact CG-CG2 4.04Å; L33-T49 CarbonylContact O-C 3.54Å; L33-T49 WeakPolarHBondContact O-CA 3.38Å; S34-T49 VanDerWaalsContact OG-CG2 3.31Å; S34-T49 WeakPolarHBondContact OG-CG2 3.38Å; S34-T49 PolarHBondContact OG-OG1 3.04Å
50	F	89.1	Confident	83.9	Confident	11 Å²	11	66.6 Å²	66.6	5%	0.048	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	129.7	174.7	-42.2	-59.3	0	0	0	109.4	K13 F26 L32 L33 Y35 L68 H76 F78	K13-F50 HydrophobicContact CD-CZ 3.99Å; F26-F50 AromaticContact CE1-CE2 3.88Å; F26-F50 HydrophobicContact CE1-CE2 3.88Å; L32-F50 WeakPolarHBondContact CA-O 3.47Å; L33-F50 HydrophobicContact CB-CB 4.37Å; L33-F50 HydrophobicContact CB-CD2 4.13Å; L33-F50 HydrophobicContact CD2-CD2 3.86Å; L33-F50 HydrophobicContact CD2-CE2 4.47Å; L33-F50 HydrophobicContact CG-CD2 3.95Å; L33-F50 PolarHBondContact N-O 3.45Å; L33-F50 WeakPolarHBondContact O-CD2 3.41Å; L33-F50 PolarHBondContact O-N 2.85Å; Y35-F50 AromaticContact CD1-CE2 3.92Å; Y35-F50 HydrophobicContact CD1-CE2 3.92Å; Y35-F50 AromaticContact CD1-CZ 3.69Å; Y35-F50 HydrophobicContact CD1-CZ 3.69Å; Y35-F50 HydrophobicContact CE1-CE1 4.25Å; Y35-F50 HydrophobicContact CE1-CE2 4.31Å; Y35-F50 AromaticContact CE1-CZ 3.6Å; Y35-F50 HydrophobicContact CE1-CZ 3.6Å; F50-L68 HydrophobicContact CB-CD2 4.22Å; F50-H76 AromaticContact CD1-CD2 3.89Å; F50-H76 AromaticContact CD1-CE1 3.46Å; F50-H76 VanDerWaalsContact CD1-CE1 3.46Å; F50-H76 WeakPolarHBondContact CD1-CE1 3.46Å; F50-H76 AromaticContact CD1-ND1 3.97Å; F50-H76 AromaticContact CD1-NE2 3.41Å; F50-H76 WeakPolarHBondContact CD1-NE2 3.49Å; F50-H76 AromaticContact CE1-CE1 3.34Å; F50-H76 WeakPolarHBondContact CE1-CE1 3.37Å; F50-H76 AromaticContact CE1-ND1 3.56Å; F50-H76 AromaticContact CE1-NE2 3.79Å; F50-F78 HydrophobicContact CD2-CZ 4.12Å; F50-F78 HydrophobicContact CE2-CE1 4.17Å; F50-F78 AromaticContact CE2-CZ 3.66Å; F50-F78 HydrophobicContact CE2-CZ 3.66Å; F50-F78 HydrophobicContact CZ-CZ 4.4Å
51	D	85.8	Confident	83.7	Confident	61 Å²	61	68.4 Å²	68.4	33%	0.326	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	124.3	173.1	-176.3	7.9	0	0	0	109.7	L32 T53	L32-D51 HydrophobicContact CD2-CB 4.36Å; D51-T53 WeakPolarHBondContact OD1-CB 3.46Å; D51-T53 PolarHBondContact OD1-N 3.26Å; D51-T53 PolarHBondContact OD1-OG1 3.48Å
52	L	87.7	Confident	83.6	Confident	1 Å²	1	72.1 Å²	72.1	1%	0.005	40%	0.399	C	S	.	.			trans	-90.8	-6.1	178.3	-57.2	177.8	0	0	0	112.3	I28 N31 L33 N54 A55 L68 L93 I97	I28-L52 HydrophobicContact CG2-CD1 3.92Å; N31-L52 VanDerWaalsContact O-CB 3.23Å; N31-L52 WeakPolarHBondContact O-CB 3.34Å; N31-L52 WeakPolarHBondContact O-CG 3.44Å; N31-L52 PolarHBondContact O-N 3Å; L33-L52 HydrophobicContact CB-CD1 4.16Å; L33-L52 HydrophobicContact CB-CD2 3.97Å; L33-L52 HydrophobicContact CB-CG 4.19Å; L52-N54 PolarHBondContact O-N 3.17Å; L52-A55 VanDerWaalsContact O-CB 3.32Å; L52-A55 WeakPolarHBondContact O-CB 3.48Å; L52-A55 PolarHBondContact O-N 3.4Å; L52-L68 HydrophobicContact CD2-CD1 4.03Å; L52-L68 HydrophobicContact CD2-CD2 3.68Å; L52-L68 HydrophobicContact CD2-CG 4.46Å; L52-L93 HydrophobicContact CD1-CD2 4Å; L52-L93 HydrophobicContact CD2-CD2 4.12Å; L52-I97 HydrophobicContact CB-CG1 4.37Å
53	T	85.4	Confident	83.8	Confident	42 Å²	42	71.3 Å²	71.3	26%	0.258	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	118.1	178.5	-49.4	0	0	0	0	110.2	D51 A55	D51-T53 WeakPolarHBondContact OD1-CB 3.46Å; D51-T53 PolarHBondContact OD1-N 3.26Å; D51-T53 PolarHBondContact OD1-OG1 3.48Å; T53-A55 PolarHBondContact O-N 3.03Å; T53-A55 VanDerWaalsContact O-N 3.09Å
54	N	84.9	Confident	84.5	Confident	93 Å²	93	68.9 Å²	68.9	50%	0.497	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	24	-174.4	-59.4	-44.8	0	0	0	114	L52	L52-N54 PolarHBondContact O-N 3.17Å
55	A	89.2	Confident	85.4	Confident	4 Å²	4	60.3 Å²	60.3	3%	0.033	34%	0.344	C	S	.	.			trans	-72.1	155.9	174.4	0	0	0	0	0	110.8	L52 T53 L68 T69 I97	L52-A55 VanDerWaalsContact O-CB 3.32Å; L52-A55 WeakPolarHBondContact O-CB 3.48Å; L52-A55 PolarHBondContact O-N 3.4Å; T53-A55 PolarHBondContact O-N 3.03Å; T53-A55 VanDerWaalsContact O-N 3.09Å; A55-L68 HydrophobicContact CB-CD1 3.98Å; A55-T69 CarbonylContact C-O 3.56Å; A55-T69 VanDerWaalsContact CA-O 3.31Å; A55-T69 WeakPolarHBondContact CA-O 3.36Å; A55-I97 HydrophobicContact CB-CD1 4.21Å; A55-I97 HydrophobicContact CB-CG1 4.38Å; A55-I97 WeakPolarHBondContact O-CG2 3.28Å
56	H	88.7	Confident	86.4	Confident	121 Å²	121	56.2 Å²	56.2	56%	0.56	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.6	178.7	179.4	-74.7	0	0	0	110.6	T69	H56-T69 PolarHBondContact N-O 2.91Å; H56-T69 PolarHBondContact O-N 2.97Å
57	L	91.7	Very high	86.9	Confident	27 Å²	27	53.7 Å²	53.7	14%	0.141	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	123	178.5	-160.8	62.6	0	0	0	110.1	V59 F66 L68 I90 L93	L57-V59 HydrophobicContact CD2-CG2 4.35Å; L57-V59 HydrophobicContact CG-CG2 4.11Å; L57-F66 HydrophobicContact CD1-CD2 3.79Å; L57-F66 HydrophobicContact CD1-CE2 4.34Å; L57-L68 HydrophobicContact CD1-CB 4.34Å; L57-L68 HydrophobicContact CD1-CD1 4.08Å; L57-I90 HydrophobicContact CD1-CD1 4.43Å; L57-I90 HydrophobicContact CD2-CB 4.45Å; L57-I90 HydrophobicContact CD2-CD1 3.55Å; L57-I90 HydrophobicContact CD2-CG2 4.13Å; L57-I90 HydrophobicContact CG-CD1 4.06Å; L57-L93 HydrophobicContact CD1-CD1 4.16Å; L57-L93 HydrophobicContact CD2-CB 4.02Å; L57-L93 HydrophobicContact CD2-CD1 4.48Å
58	S	90.7	Very high	87.4	Confident	54 Å²	54	48.2 Å²	48.2	38%	0.378	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	111.5	174	178.7	0	0	0	0	108.9	F66 I67	S58-F66 WeakPolarHBondContact O-CA 3.49Å; S58-I67 PolarHBondContact N-O 2.72Å; S58-I67 PolarHBondContact O-N 3.13Å
59	V	87.7	Confident	87.7	Confident	59 Å²	59	48.4 Å²	48.4	36%	0.358	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	133.9	-177.1	-169.7	0	0	0	0	108.7	L57 I90	L57-V59 HydrophobicContact CD2-CG2 4.35Å; L57-V59 HydrophobicContact CG-CG2 4.11Å; V59-I90 HydrophobicContact CG1-CD1 4.27Å; V59-I90 HydrophobicContact CG1-CG1 4.24Å; V59-I90 HydrophobicContact CG2-CD1 3.51Å; V59-I90 HydrophobicContact CG2-CG1 4.02Å; V59-I90 HydrophobicContact CG2-CG2 4.1Å
60	Q	79.7	Confident	87.6	Confident	88 Å²	88	46.6 Å²	46.6	41%	0.411	27%	0.27	S	S	.	.			trans	-88.6	140.6	174.2	-63.6	179	11.6	0	0	109.7	S62 S65 K86	Q60-S62 PolarHBondContact O-N 2.91Å; Q60-S65 PolarHBondContact OE1-OG 3.16Å; Q60-K86 PolarHBondContact O-NZ 2.85Å
61	D	76.9	Confident	87.1	Confident	178 Å²	178	49.8 Å²	49.8	95%	0.952	29%	0.294	S	S	*	.	S	Bend	trans	-65	-22.8	-178.6	-60.9	-34.9	0	0	0	113.4
62	S	77	Confident	86.6	Confident	94 Å²	94	50.3 Å²	50.3	66%	0.657	30%	0.303	S	S	*	.	S	Bend	trans	-122	139	180	58.3	0	0	0	0	112.4	Q60	Q60-S62 PolarHBondContact O-N 2.91Å
63	G	84.9	Confident	86.3	Confident	40 Å²	40	52.3 Å²	52.3	41%	0.412	32%	0.323	S	S	.	.	S	Bend	trans	77.1	172.6	176.3	0	0	0	0	0	115.1	S65 K86	G63-S65 PolarHBondContact O-N 2.86Å; G63-K86 WeakPolarHBondContact O-CD 3.42Å; G63-K86 PolarHBondContact O-NZ 3.44Å
64	C	88.9	Confident	86.1	Confident	23 Å²	23	58.3 Å²	58.3	16%	0.155	34%	0.341	C	S	.	.	S	Bend	trans	-79.8	15.9	-171.6	-39.3	0	0	0	0	114.4	K79 A80 D83	C64-K79 HydrophobicContact CB-CG 4.04Å; C64-K79 CarbonylContact O-C 3.54Å; C64-K79 VanDerWaalsContact O-CA 3.31Å; C64-K79 WeakPolarHBondContact O-CA 3.44Å; C64-A80 HydrophobicContact CB-CB 4.23Å; C64-A80 WeakPolarHBondContact CB-O 3.44Å; C64-A80 PolarHBondContact O-N 3.34Å; C64-D83 PolarHBondContact SG-OD1 3.01Å
65	S	91.4	Very high	86.3	Confident	22 Å²	22	57.5 Å²	57.5	15%	0.154	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	147.4	-170.7	86.3	0	0	0	0	114.3	Q60 G63 F78	Q60-S65 PolarHBondContact OE1-OG 3.16Å; G63-S65 PolarHBondContact O-N 2.86Å; S65-F78 VanDerWaalsContact CA-O 3.29Å; S65-F78 WeakPolarHBondContact CA-O 3.37Å; S65-F78 WeakPolarHBondContact CB-O 3.44Å
66	F	94.3	Very high	86.4	Confident	1 Å²	1	58.6 Å²	58.6	0%	0.004	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	161.2	177	60	-87.7	0	0	0	110.8	L11 L57 S58 F78 A80 K86 W89 I90 L93	L11-F66 HydrophobicContact CD1-CZ 3.9Å; L11-F66 HydrophobicContact CD2-CE1 4Å; L11-F66 HydrophobicContact CD2-CZ 3.89Å; L57-F66 HydrophobicContact CD1-CD2 3.79Å; L57-F66 HydrophobicContact CD1-CE2 4.34Å; S58-F66 WeakPolarHBondContact O-CA 3.49Å; F66-F78 HydrophobicContact CD1-CB 4.36Å; F66-F78 HydrophobicContact CD2-CB 4.03Å; F66-F78 HydrophobicContact CD2-CD2 4.08Å; F66-F78 HydrophobicContact CE1-CB 3.99Å; F66-F78 HydrophobicContact CE2-CB 3.65Å; F66-F78 AromaticContact CE2-CD2 3.66Å; F66-F78 HydrophobicContact CE2-CD2 3.66Å; F66-F78 AromaticContact CE2-CG 3.98Å; F66-F78 HydrophobicContact CE2-CG 3.98Å; F66-F78 HydrophobicContact CG-CB 4.39Å; F66-F78 HydrophobicContact CZ-CB 3.63Å; F66-F78 HydrophobicContact CZ-CD2 4.38Å; F66-F78 HydrophobicContact CZ-CG 4.26Å; F66-F78 PolarHBondContact N-O 2.91Å; F66-F78 PolarHBondContact O-N 2.91Å; F66-A80 HydrophobicContact CE1-CB 4.42Å; F66-K86 HydrophobicContact CD1-CG 4.21Å; F66-W89 HydrophobicContact CE1-CB 4.36Å; F66-W89 HydrophobicContact CZ-CB 4.06Å; F66-W89 HydrophobicContact CZ-CG 4.48Å; F66-I90 HydrophobicContact CB-CD1 3.84Å; F66-I90 HydrophobicContact CD1-CD1 4Å; F66-I90 HydrophobicContact CD2-CD1 3.93Å; F66-I90 HydrophobicContact CE2-CD1 4.44Å; F66-I90 HydrophobicContact CG-CD1 3.67Å; F66-L93 HydrophobicContact CE2-CD1 3.91Å
67	I	94.2	Very high	86.6	Confident	8 Å²	8	55.6 Å²	55.6	4%	0.041	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.8	-176.6	-54.9	174	0	0	0	109.6	S58 K75 H76 H77	S58-I67 PolarHBondContact N-O 2.72Å; S58-I67 PolarHBondContact O-N 3.13Å; I67-K75 HydrophobicContact CG2-CB 3.99Å; I67-K75 HydrophobicContact CG2-CG 4.35Å; I67-H76 CarbonylContact C-O 3.6Å; I67-H76 VanDerWaalsContact CA-O 3.3Å; I67-H76 WeakPolarHBondContact CA-O 3.44Å; I67-H77 VanDerWaalsContact CD1-CE1 3.49Å; I67-H77 WeakPolarHBondContact CD1-CE1 3.45Å; I67-H77 WeakPolarHBondContact CD1-ND1 3.32Å
68	L	92.8	Very high	86.8	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.5	169.3	-177.3	69.1	0	0	0	109.3	L33 F50 L52 A55 L57 K75 H76 F78 I97	L33-L68 HydrophobicContact CD2-CD2 3.99Å; F50-L68 HydrophobicContact CB-CD2 4.22Å; L52-L68 HydrophobicContact CD2-CD1 4.03Å; L52-L68 HydrophobicContact CD2-CD2 3.68Å; L52-L68 HydrophobicContact CD2-CG 4.46Å; A55-L68 HydrophobicContact CB-CD1 3.98Å; L57-L68 HydrophobicContact CD1-CB 4.34Å; L57-L68 HydrophobicContact CD1-CD1 4.08Å; L68-K75 CarbonylContact O-C 3.57Å; L68-K75 WeakPolarHBondContact O-CA 3.38Å; L68-H76 PolarHBondContact N-O 3.42Å; L68-H76 PolarHBondContact O-N 3.41Å; L68-F78 HydrophobicContact CB-CD2 4.24Å; L68-F78 HydrophobicContact CB-CE2 3.68Å; L68-F78 HydrophobicContact CD2-CE2 4.22Å; L68-I97 HydrophobicContact CD1-CD1 4.2Å
69	T	91.4	Very high	86.9	Confident	28 Å²	28	56.6 Å²	56.6	17%	0.172	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	114.9	175.3	-50.4	0	0	0	0	109	A55 H56 R74 K75	A55-T69 CarbonylContact C-O 3.56Å; A55-T69 VanDerWaalsContact CA-O 3.31Å; A55-T69 WeakPolarHBondContact CA-O 3.36Å; H56-T69 PolarHBondContact N-O 2.91Å; H56-T69 PolarHBondContact O-N 2.97Å; T69-R74 CarbonylContact C-O 3.58Å; T69-R74 WeakPolarHBondContact CA-O 3.5Å; T69-K75 HydrophobicContact CG2-CG 3.99Å
70	E	86.5	Confident	87.3	Confident	23 Å²	23	53.9 Å²	53.9	11%	0.107	30%	0.303	C	S	.	.			trans	-65.1	160.6	173.8	-66.9	174.5	-142.6	0	0	110.9	S72 G73 R74 H76	E70-S72 WeakPolarHBondContact CB-OG 3.41Å; E70-S72 PolarHBondContact O-N 2.89Å; E70-S72 VanDerWaalsContact O-N 3.11Å; E70-S72 PolarHBondContact OE2-OG 3.34Å; E70-G73 WeakPolarHBondContact O-CA 3.47Å; E70-G73 PolarHBondContact O-N 2.87Å; E70-R74 HydrophobicContact CB-CB 4.42Å; E70-R74 PolarHBondContact N-O 3.37Å; E70-H76 IonicContact OE1-CD2 3.68Å; E70-H76 IonicContact OE1-CE1 3.58Å; E70-H76 IonicContact OE1-NE2 2.69Å; E70-H76 PolarHBondContact OE1-NE2 3.41Å
71	S	78.5	Confident	87.8	Confident	79 Å²	79	53.5 Å²	53.5	55%	0.552	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-28.2	170.3	59.2	0	0	0	0	113.2	G73	S71-G73 PolarHBondContact O-N 3.19Å
72	S	76.9	Confident	88.5	Confident	72 Å²	72	47.4 Å²	47.4	50%	0.503	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-8.4	173.4	70.5	0	0	0	0	114.5	E70 R74	E70-S72 WeakPolarHBondContact CB-OG 3.41Å; E70-S72 PolarHBondContact O-N 2.89Å; E70-S72 VanDerWaalsContact O-N 3.11Å; E70-S72 PolarHBondContact OE2-OG 3.34Å; S72-R74 VanDerWaalsContact C-N 3.31Å; S72-R74 WeakPolarHBondContact OG-CG 3.39Å; S72-R74 PolarHBondContact OG-N 2.73Å
73	G	80.5	Confident	89	Confident	42 Å²	42	47.4 Å²	47.4	43%	0.433	27%	0.268	S	S	.	.	S	Bend	trans	82.4	2.4	-174.2	0	0	0	0	0	114.4	E70 S71	E70-G73 WeakPolarHBondContact O-CA 3.47Å; E70-G73 PolarHBondContact O-N 2.87Å; S71-G73 PolarHBondContact O-N 3.19Å
74	R	81.6	Confident	89.3	Confident	169 Å²	169	52.5 Å²	52.5	64%	0.638	28%	0.281	S	S	*	.			trans	-70.8	127.1	174.8	-72.3	178.9	-179.8	169.8	2.9	110.6	T69 E70 S72	T69-R74 CarbonylContact C-O 3.58Å; T69-R74 WeakPolarHBondContact CA-O 3.5Å; E70-R74 HydrophobicContact CB-CB 4.42Å; E70-R74 PolarHBondContact N-O 3.37Å; S72-R74 VanDerWaalsContact C-N 3.31Å; S72-R74 WeakPolarHBondContact OG-CG 3.39Å; S72-R74 PolarHBondContact OG-N 2.73Å
75	K	89.6	Confident	89.4	Confident	76 Å²	76	52.9 Å²	52.9	33%	0.33	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	131.9	179.2	-66.4	-176.2	172.8	-176.9	0	111.5	I67 L68 T69	I67-K75 HydrophobicContact CG2-CB 3.99Å; I67-K75 HydrophobicContact CG2-CG 4.35Å; L68-K75 CarbonylContact O-C 3.57Å; L68-K75 WeakPolarHBondContact O-CA 3.38Å; T69-K75 HydrophobicContact CG2-CG 3.99Å
76	H	91	Very high	89.5	Confident	26 Å²	26	52.3 Å²	52.3	12%	0.12	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122	176	-57.3	-78.7	0	0	0	110	F50 I67 L68 E70 F78	F50-H76 AromaticContact CD1-CD2 3.89Å; F50-H76 AromaticContact CD1-CE1 3.46Å; F50-H76 VanDerWaalsContact CD1-CE1 3.46Å; F50-H76 WeakPolarHBondContact CD1-CE1 3.46Å; F50-H76 AromaticContact CD1-ND1 3.97Å; F50-H76 AromaticContact CD1-NE2 3.41Å; F50-H76 WeakPolarHBondContact CD1-NE2 3.49Å; F50-H76 AromaticContact CE1-CE1 3.34Å; F50-H76 WeakPolarHBondContact CE1-CE1 3.37Å; F50-H76 AromaticContact CE1-ND1 3.56Å; F50-H76 AromaticContact CE1-NE2 3.79Å; I67-H76 CarbonylContact C-O 3.6Å; I67-H76 VanDerWaalsContact CA-O 3.3Å; I67-H76 WeakPolarHBondContact CA-O 3.44Å; L68-H76 PolarHBondContact N-O 3.42Å; L68-H76 PolarHBondContact O-N 3.41Å; E70-H76 IonicContact OE1-CD2 3.68Å; E70-H76 IonicContact OE1-CE1 3.58Å; E70-H76 IonicContact OE1-NE2 2.69Å; E70-H76 PolarHBondContact OE1-NE2 3.41Å; H76-F78 HydrophobicContact CB-CD2 4.46Å; H76-F78 HydrophobicContact CB-CE1 4.49Å; H76-F78 HydrophobicContact CB-CE2 3.62Å; H76-F78 HydrophobicContact CB-CZ 3.62Å
77	H	92.8	Very high	89.4	Confident	58 Å²	58	57.2 Å²	57.2	27%	0.269	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	126.7	-179.7	-58.5	-101.7	0	0	0	110.3	W14 I67	W14-H77 HydrophobicContact CB-CB 3.8Å; W14-H77 PolarHBondContact N-O 3.42Å; I67-H77 VanDerWaalsContact CD1-CE1 3.49Å; I67-H77 WeakPolarHBondContact CD1-CE1 3.45Å; I67-H77 WeakPolarHBondContact CD1-ND1 3.32Å
78	F	95.7	Very high	89.3	Confident	1 Å²	1	60.6 Å²	60.6	0%	0.004	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	153.7	-179.9	-59.5	-68.1	0	0	0	111.8	L11 Y12 K13 F26 L33 F50 S65 F66 L68 H76	L11-F78 HydrophobicContact CD1-CD1 4.48Å; Y12-F78 CarbonylContact O-C 3.58Å; Y12-F78 VanDerWaalsContact O-CA 3.24Å; Y12-F78 WeakPolarHBondContact O-CA 3.39Å; K13-F78 HydrophobicContact CB-CD1 4Å; K13-F78 HydrophobicContact CB-CE1 3.93Å; K13-F78 HydrophobicContact CD-CE1 4.16Å; K13-F78 HydrophobicContact CG-CD1 4.19Å; K13-F78 HydrophobicContact CG-CE1 3.77Å; F26-F78 AromaticContact CE1-CE1 3.86Å; F26-F78 HydrophobicContact CE1-CE1 3.86Å; F26-F78 HydrophobicContact CE1-CZ 4.4Å; F26-F78 HydrophobicContact CZ-CD1 4.21Å; F26-F78 AromaticContact CZ-CE1 3.66Å; F26-F78 HydrophobicContact CZ-CE1 3.66Å; L33-F78 HydrophobicContact CD2-CE2 4.47Å; L33-F78 HydrophobicContact CD2-CZ 4.3Å; F50-F78 HydrophobicContact CD2-CZ 4.12Å; F50-F78 HydrophobicContact CE2-CE1 4.17Å; F50-F78 AromaticContact CE2-CZ 3.66Å; F50-F78 HydrophobicContact CE2-CZ 3.66Å; F50-F78 HydrophobicContact CZ-CZ 4.4Å; S65-F78 VanDerWaalsContact CA-O 3.29Å; S65-F78 WeakPolarHBondContact CA-O 3.37Å; S65-F78 WeakPolarHBondContact CB-O 3.44Å; F66-F78 HydrophobicContact CD1-CB 4.36Å; F66-F78 HydrophobicContact CD2-CB 4.03Å; F66-F78 HydrophobicContact CD2-CD2 4.08Å; F66-F78 HydrophobicContact CE1-CB 3.99Å; F66-F78 HydrophobicContact CE2-CB 3.65Å; F66-F78 AromaticContact CE2-CD2 3.66Å; F66-F78 HydrophobicContact CE2-CD2 3.66Å; F66-F78 AromaticContact CE2-CG 3.98Å; F66-F78 HydrophobicContact CE2-CG 3.98Å; F66-F78 HydrophobicContact CG-CB 4.39Å; F66-F78 HydrophobicContact CZ-CB 3.63Å; F66-F78 HydrophobicContact CZ-CD2 4.38Å; F66-F78 HydrophobicContact CZ-CG 4.26Å; F66-F78 PolarHBondContact N-O 2.91Å; F66-F78 PolarHBondContact O-N 2.91Å; L68-F78 HydrophobicContact CB-CD2 4.24Å; L68-F78 HydrophobicContact CB-CE2 3.68Å; L68-F78 HydrophobicContact CD2-CE2 4.22Å; H76-F78 HydrophobicContact CB-CD2 4.46Å; H76-F78 HydrophobicContact CB-CE1 4.49Å; H76-F78 HydrophobicContact CB-CE2 3.62Å; H76-F78 HydrophobicContact CB-CZ 3.62Å
79	K	93.3	Very high	89.4	Confident	101 Å²	101	60.7 Å²	60.7	44%	0.439	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	124	168.9	-174.8	-178.6	-179.6	179.9	0	109.3	Y12 Y21 C64	Y12-K79 WeakPolarHBondContact CB-O 3.3Å; Y12-K79 PolarHBondContact N-O 2.97Å; Y12-K79 PolarHBondContact O-N 2.97Å; Y21-K79 HydrophobicContact CD1-CB 4.46Å; Y21-K79 HydrophobicContact CE1-CB 4.28Å; C64-K79 HydrophobicContact CB-CG 4.04Å; C64-K79 CarbonylContact O-C 3.54Å; C64-K79 VanDerWaalsContact O-CA 3.31Å; C64-K79 WeakPolarHBondContact O-CA 3.44Å
80	A	94.6	Very high	89.5	Confident	2 Å²	2	60.4 Å²	60.4	2%	0.017	32%	0.315	C	S	.	.			trans	-74.6	166	174.4	0	0	0	0	0	111.8	L11 C64 F66 D85 K86	L11-A80 HydrophobicContact CD2-CB 4Å; C64-A80 HydrophobicContact CB-CB 4.23Å; C64-A80 WeakPolarHBondContact CB-O 3.44Å; C64-A80 PolarHBondContact O-N 3.34Å; F66-A80 HydrophobicContact CE1-CB 4.42Å; A80-D85 HydrophobicContact CB-CB 4.23Å; A80-K86 VanDerWaalsContact CB-CA 3.49Å; A80-K86 HydrophobicContact CB-CB 3.68Å; A80-K86 VanDerWaalsContact CB-N 3.34Å
81	L	91.9	Very high	89.8	Confident	81 Å²	81	63.6 Å²	63.6	42%	0.424	34%	0.336	S	S	.	.	S	Bend	trans	-74.2	-30.1	-179.2	-69.7	170.1	0	0	0	113	W10 Y12 D85	W10-L81 HydrophobicContact CB-CD1 3.65Å; W10-L81 HydrophobicContact CB-CG 4.4Å; W10-L81 HydrophobicContact CG-CD1 4.5Å; Y12-L81 HydrophobicContact CD2-CD2 4.28Å; Y12-L81 HydrophobicContact CE2-CD2 3.5Å; L81-D85 HydrophobicContact CB-CB 4.46Å; L81-D85 WeakPolarHBondContact CB-OD2 3.42Å; L81-D85 PolarHBondContact N-OD2 2.85Å
82	S	90	Very high	90.4	Very high	50 Å²	50	60.6 Å²	60.6	35%	0.35	32%	0.316	S	S	.	.	S	Bend	trans	-147.6	171.3	176.5	64.4	0	0	0	0	109.7	E84 D85 K86	S82-E84 VanDerWaalsContact C-N 3.32Å; S82-D85 PolarHBondContact O-N 2.85Å; S82-D85 VanDerWaalsContact OG-CB 3.31Å; S82-D85 WeakPolarHBondContact OG-CB 3.46Å; S82-D85 PolarHBondContact OG-N 2.72Å; S82-K86 PolarHBondContact O-N 3.43Å
83	D	88.5	Confident	91.2	Very high	93 Å²	93	57.2 Å²	57.2	50%	0.497	29%	0.292	S	S	.	.	H	α-helix	trans	-67.3	-34.5	173.5	-65.6	-37.2	0	0	0	111.7	C64 K86 E87	C64-D83 PolarHBondContact SG-OD1 3.01Å; D83-K86 WeakPolarHBondContact O-CB 3.45Å; D83-K86 PolarHBondContact O-N 3.39Å; D83-E87 WeakPolarHBondContact O-CG 3.34Å; D83-E87 PolarHBondContact O-N 3.27Å
84	E	90.4	Very high	91.6	Very high	148 Å²	148	58.4 Å²	58.4	69%	0.692	29%	0.292	S	S	*	.	H	α-helix	trans	-63.5	-43.8	172.2	-175.7	-178.8	-174	0	0	112	S82 K86 E87 N88	S82-E84 VanDerWaalsContact C-N 3.32Å; E84-K86 VanDerWaalsContact C-N 3.3Å; E84-K86 PolarHBondContact O-N 3.3Å; E84-E87 PolarHBondContact O-N 3.38Å; E84-N88 PolarHBondContact O-N 3.23Å; E84-N88 PolarHBondContact O-ND2 3.46Å
85	D	92.5	Very high	91.8	Very high	30 Å²	30	53.6 Å²	53.6	16%	0.16	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-37	175.6	-174.1	49.2	0	0	0	111.1	A80 L81 S82 N88 W89	A80-D85 HydrophobicContact CB-CB 4.23Å; L81-D85 HydrophobicContact CB-CB 4.46Å; L81-D85 WeakPolarHBondContact CB-OD2 3.42Å; L81-D85 PolarHBondContact N-OD2 2.85Å; S82-D85 PolarHBondContact O-N 2.85Å; S82-D85 VanDerWaalsContact OG-CB 3.31Å; S82-D85 WeakPolarHBondContact OG-CB 3.46Å; S82-D85 PolarHBondContact OG-N 2.72Å; D85-N88 PolarHBondContact O-N 2.96Å; D85-W89 PolarHBondContact O-N 3.28Å
86	K	93.1	Very high	91.6	Very high	10 Å²	10	52 Å²	52	4%	0.043	27%	0.273	C	S	.	.	H	α-helix	trans	-58.1	-52.3	171.6	177.8	-175.2	169.9	-164	0	110.3	Q60 G63 F66 A80 S82 D83 E84 N88 W89 I90	Q60-K86 PolarHBondContact O-NZ 2.85Å; G63-K86 WeakPolarHBondContact O-CD 3.42Å; G63-K86 PolarHBondContact O-NZ 3.44Å; F66-K86 HydrophobicContact CD1-CG 4.21Å; A80-K86 VanDerWaalsContact CB-CA 3.49Å; A80-K86 HydrophobicContact CB-CB 3.68Å; A80-K86 VanDerWaalsContact CB-N 3.34Å; S82-K86 PolarHBondContact O-N 3.43Å; D83-K86 WeakPolarHBondContact O-CB 3.45Å; D83-K86 PolarHBondContact O-N 3.39Å; E84-K86 VanDerWaalsContact C-N 3.3Å; E84-K86 PolarHBondContact O-N 3.3Å; K86-N88 VanDerWaalsContact C-N 3.27Å; K86-N88 PolarHBondContact O-N 3.41Å; K86-W89 PolarHBondContact O-N 2.94Å; K86-W89 VanDerWaalsContact O-N 3.13Å; K86-I90 HydrophobicContact CG-CG1 4.02Å; K86-I90 VanDerWaalsContact O-CG1 3.26Å; K86-I90 WeakPolarHBondContact O-CG1 3.45Å; K86-I90 PolarHBondContact O-N 3.22Å
87	E	91.2	Very high	91.4	Very high	105 Å²	105	51.4 Å²	51.4	49%	0.491	27%	0.271	S	S	.	.	H	α-helix	trans	-57.9	-39.8	180	-68.6	-54.8	131.1	0	0	112.3	D83 E84 I90 T91	D83-E87 WeakPolarHBondContact O-CG 3.34Å; D83-E87 PolarHBondContact O-N 3.27Å; E84-E87 PolarHBondContact O-N 3.38Å; E87-I90 PolarHBondContact O-N 3.48Å; E87-T91 WeakPolarHBondContact O-CB 3.22Å; E87-T91 PolarHBondContact O-N 3.44Å; E87-T91 PolarHBondContact O-OG1 2.93Å
88	N	93.1	Very high	90.8	Very high	79 Å²	79	51.2 Å²	51.2	42%	0.422	28%	0.276	S	S	.	.	H	α-helix	trans	-62	-46.4	174.9	-68.7	-31.4	0	0	0	112.2	F7 E84 D85 K86 T91 A92	F7-N88 HydrophobicContact CZ-CB 4.07Å; E84-N88 PolarHBondContact O-N 3.23Å; E84-N88 PolarHBondContact O-ND2 3.46Å; D85-N88 PolarHBondContact O-N 2.96Å; K86-N88 VanDerWaalsContact C-N 3.27Å; K86-N88 PolarHBondContact O-N 3.41Å; N88-T91 PolarHBondContact O-N 3.35Å; N88-A92 WeakPolarHBondContact O-CB 3.13Å; N88-A92 PolarHBondContact O-N 3.17Å
89	W	95.1	Very high	89.9	Confident	1 Å²	1	58.2 Å²	58.2	0%	0.004	30%	0.302	C	S	.	.	H	α-helix	trans	-64.9	-42.4	176.3	-84.8	104.3	0	0	0	113	F7 L11 F26 I28 L33 F66 D85 K86 T91 A92 L93	F7-W89 HydrophobicContact CD1-CE3 4.15Å; F7-W89 HydrophobicContact CD1-CH2 4.09Å; F7-W89 AromaticContact CD1-CZ3 3.91Å; F7-W89 HydrophobicContact CD1-CZ3 3.91Å; F7-W89 AromaticContact CE1-CD2 3.71Å; F7-W89 HydrophobicContact CE1-CD2 3.71Å; F7-W89 AromaticContact CE1-CE2 3.89Å; F7-W89 AromaticContact CE1-CE3 3.72Å; F7-W89 HydrophobicContact CE1-CE3 3.72Å; F7-W89 HydrophobicContact CE1-CG 4.29Å; F7-W89 HydrophobicContact CE1-CH2 4.02Å; F7-W89 HydrophobicContact CE1-CZ2 4.06Å; F7-W89 AromaticContact CE1-CZ3 3.88Å; F7-W89 HydrophobicContact CE1-CZ3 3.88Å; L11-W89 HydrophobicContact CD1-CD2 3.57Å; L11-W89 HydrophobicContact CD1-CE3 3.81Å; L11-W89 HydrophobicContact CD1-CG 4.08Å; L11-W89 HydrophobicContact CD1-CH2 4.23Å; L11-W89 HydrophobicContact CD1-CZ2 3.96Å; L11-W89 HydrophobicContact CD1-CZ3 4.13Å; L11-W89 HydrophobicContact CD2-CD2 4.06Å; L11-W89 HydrophobicContact CD2-CG 3.78Å; L11-W89 HydrophobicContact CG-CD2 3.87Å; L11-W89 VanDerWaalsContact CG-CE2 3.48Å; L11-W89 HydrophobicContact CG-CG 4.15Å; L11-W89 HydrophobicContact CG-CZ2 3.91Å; F26-W89 HydrophobicContact CB-CH2 3.33Å; F26-W89 HydrophobicContact CB-CZ2 3.88Å; F26-W89 HydrophobicContact CB-CZ3 4.12Å; F26-W89 HydrophobicContact CG-CH2 4.38Å; I28-W89 HydrophobicContact CD1-CE3 4.32Å; I28-W89 HydrophobicContact CD1-CZ3 3.82Å; I28-W89 HydrophobicContact CG1-CZ3 3.97Å; L33-W89 HydrophobicContact CD1-CH2 4.47Å; L33-W89 HydrophobicContact CD1-CZ3 3.92Å; F66-W89 HydrophobicContact CE1-CB 4.36Å; F66-W89 HydrophobicContact CZ-CB 4.06Å; F66-W89 HydrophobicContact CZ-CG 4.48Å; D85-W89 PolarHBondContact O-N 3.28Å; K86-W89 PolarHBondContact O-N 2.94Å; K86-W89 VanDerWaalsContact O-N 3.13Å; W89-T91 VanDerWaalsContact C-N 3.34Å; W89-A92 PolarHBondContact O-N 2.9Å; W89-L93 HydrophobicContact CE3-CD1 4.38Å; W89-L93 HydrophobicContact CE3-CG 4.43Å; W89-L93 WeakPolarHBondContact O-CB 3.24Å; W89-L93 VanDerWaalsContact O-CG 3.25Å; W89-L93 WeakPolarHBondContact O-CG 3.4Å; W89-L93 PolarHBondContact O-N 3.33Å
90	I	93.6	Very high	88.7	Confident	22 Å²	22	53.6 Å²	53.6	11%	0.113	28%	0.283	C	S	.	.	H	α-helix	trans	-63	-44.6	177.8	-64.7	-48.5	0	0	0	110	L57 V59 F66 K86 E87 T94	L57-I90 HydrophobicContact CD1-CD1 4.43Å; L57-I90 HydrophobicContact CD2-CB 4.45Å; L57-I90 HydrophobicContact CD2-CD1 3.55Å; L57-I90 HydrophobicContact CD2-CG2 4.13Å; L57-I90 HydrophobicContact CG-CD1 4.06Å; V59-I90 HydrophobicContact CG1-CD1 4.27Å; V59-I90 HydrophobicContact CG1-CG1 4.24Å; V59-I90 HydrophobicContact CG2-CD1 3.51Å; V59-I90 HydrophobicContact CG2-CG1 4.02Å; V59-I90 HydrophobicContact CG2-CG2 4.1Å; F66-I90 HydrophobicContact CB-CD1 3.84Å; F66-I90 HydrophobicContact CD1-CD1 4Å; F66-I90 HydrophobicContact CD2-CD1 3.93Å; F66-I90 HydrophobicContact CE2-CD1 4.44Å; F66-I90 HydrophobicContact CG-CD1 3.67Å; K86-I90 HydrophobicContact CG-CG1 4.02Å; K86-I90 VanDerWaalsContact O-CG1 3.26Å; K86-I90 WeakPolarHBondContact O-CG1 3.45Å; K86-I90 PolarHBondContact O-N 3.22Å; E87-I90 PolarHBondContact O-N 3.48Å; I90-T94 WeakPolarHBondContact O-CB 3.27Å; I90-T94 PolarHBondContact O-N 3.29Å; I90-T94 PolarHBondContact O-OG1 3.27Å
91	T	92	Very high	87.1	Confident	90 Å²	90	59 Å²	59	55%	0.552	31%	0.308	S	S	*	.	H	α-helix	trans	-61.1	-50	178.1	-57.4	0	0	0	0	111.2	E87 N88 W89 T94 D95	E87-T91 WeakPolarHBondContact O-CB 3.22Å; E87-T91 PolarHBondContact O-N 3.44Å; E87-T91 PolarHBondContact O-OG1 2.93Å; N88-T91 PolarHBondContact O-N 3.35Å; W89-T91 VanDerWaalsContact C-N 3.34Å; T91-T94 PolarHBondContact O-N 3.4Å; T91-D95 WeakPolarHBondContact O-CB 3.45Å; T91-D95 PolarHBondContact O-N 2.97Å
92	A	91.5	Very high	85.1	Confident	17 Å²	17	60.1 Å²	60.1	14%	0.14	32%	0.317	C	S	.	.	H	α-helix	trans	-63.3	-44.1	-179.4	0	0	0	0	0	112.9	F7 I28 N88 W89 L96	F7-A92 HydrophobicContact CB-CB 4.39Å; F7-A92 HydrophobicContact CD1-CB 3.69Å; F7-A92 HydrophobicContact CD2-CB 3.93Å; F7-A92 HydrophobicContact CE1-CB 3.85Å; F7-A92 HydrophobicContact CE2-CB 4.08Å; F7-A92 HydrophobicContact CG-CB 3.73Å; F7-A92 HydrophobicContact CZ-CB 4.05Å; I28-A92 HydrophobicContact CD1-CB 4.14Å; N88-A92 WeakPolarHBondContact O-CB 3.13Å; N88-A92 PolarHBondContact O-N 3.17Å; W89-A92 PolarHBondContact O-N 2.9Å; A92-L96 PolarHBondContact O-N 3.35Å
93	L	93.2	Very high	82.6	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-68.4	-39.6	178.2	-70.2	170.6	0	0	0	111.7	I28 L33 L52 L57 F66 W89 I97	I28-L93 HydrophobicContact CD1-CD2 3.81Å; I28-L93 HydrophobicContact CD1-CG 4.31Å; I28-L93 HydrophobicContact CG1-CD2 4.46Å; L33-L93 HydrophobicContact CD2-CD2 4.15Å; L52-L93 HydrophobicContact CD1-CD2 4Å; L52-L93 HydrophobicContact CD2-CD2 4.12Å; L57-L93 HydrophobicContact CD1-CD1 4.16Å; L57-L93 HydrophobicContact CD2-CB 4.02Å; L57-L93 HydrophobicContact CD2-CD1 4.48Å; F66-L93 HydrophobicContact CE2-CD1 3.91Å; W89-L93 HydrophobicContact CE3-CD1 4.38Å; W89-L93 HydrophobicContact CE3-CG 4.43Å; W89-L93 WeakPolarHBondContact O-CB 3.24Å; W89-L93 VanDerWaalsContact O-CG 3.25Å; W89-L93 WeakPolarHBondContact O-CG 3.4Å; W89-L93 PolarHBondContact O-N 3.33Å; L93-I97 WeakPolarHBondContact O-CB 3.48Å; L93-I97 WeakPolarHBondContact O-CD1 3.22Å; L93-I97 WeakPolarHBondContact O-CG1 3.34Å; L93-I97 PolarHBondContact O-N 3.5Å
94	T	89.7	Confident	80.1	Confident	68 Å²	68	65.5 Å²	65.5	42%	0.417	34%	0.341	S	S	.	.	H	α-helix	trans	-68.4	-43	-179.7	-55.6	0	0	0	0	111.4	I90 T91 L96 I97 S98	I90-T94 WeakPolarHBondContact O-CB 3.27Å; I90-T94 PolarHBondContact O-N 3.29Å; I90-T94 PolarHBondContact O-OG1 3.27Å; T91-T94 PolarHBondContact O-N 3.4Å; T94-L96 PolarHBondContact O-N 2.84Å; T94-I97 PolarHBondContact O-N 2.9Å; T94-S98 VanDerWaalsContact O-CB 3.32Å; T94-S98 WeakPolarHBondContact O-CB 3.49Å; T94-S98 PolarHBondContact O-N 3.42Å; T94-S98 PolarHBondContact O-OG 3Å
95	D	85.7	Confident	77.3	Confident	68 Å²	68	64.1 Å²	64.1	36%	0.364	34%	0.343	S	S	.	.	H	α-helix	trans	-57.6	-48.2	175.6	-177.9	40.2	0	0	0	110.8	T91 S98 R99	T91-D95 WeakPolarHBondContact O-CB 3.45Å; T91-D95 PolarHBondContact O-N 2.97Å; D95-S98 PolarHBondContact O-N 3.36Å; D95-S98 PolarHBondContact O-OG 3.25Å; D95-R99 WeakPolarHBondContact O-CG 3.44Å; D95-R99 PolarHBondContact O-N 2.93Å; D95-R99 IonicContact OD1-CZ 3.72Å; D95-R99 IonicContact OD1-NE 3.04Å; D95-R99 PolarHBondContact OD1-NE 2.93Å; D95-R99 IonicContact OD1-NH2 3.47Å; D95-R99 PolarHBondContact OD1-NH2 2.9Å; D95-R99 IonicContact OD2-CZ 3.27Å; D95-R99 VanDerWaalsContact OD2-CZ 3.27Å; D95-R99 IonicContact OD2-NE 3.11Å; D95-R99 PolarHBondContact OD2-NE 3.48Å; D95-R99 VanDerWaalsContact OD2-NE 3.11Å; D95-R99 IonicContact OD2-NH2 2.77Å; D95-R99 PolarHBondContact OD2-NH2 3.36Å
96	L	84.4	Confident	74.2	Confident	42 Å²	42	71.2 Å²	71.2	22%	0.22	38%	0.375	C	S	.	.	H	α-helix	trans	-67.1	-44.1	179	-79.7	164.6	0	0	0	114.1	I28 A92 T94 S98 R99 S100	I28-L96 HydrophobicContact CB-CD1 4.08Å; I28-L96 HydrophobicContact CD1-CD1 4.13Å; I28-L96 HydrophobicContact CG2-CD1 3.13Å; A92-L96 PolarHBondContact O-N 3.35Å; T94-L96 PolarHBondContact O-N 2.84Å; L96-S98 PolarHBondContact O-N 2.97Å; L96-R99 PolarHBondContact O-N 3.34Å; L96-S100 PolarHBondContact O-N 2.93Å; L96-S100 VanDerWaalsContact O-N 3.08Å
97	I	86.8	Confident	71.1	Confident	14 Å²	14	78.1 Å²	78.1	7%	0.072	41%	0.411	C	S	.	.	H	α-helix	trans	-59.1	-41.4	175.5	-71.1	166.7	0	0	0	109.7	L52 A55 L68 L93 T94 S100 Q101	L52-I97 HydrophobicContact CB-CG1 4.37Å; A55-I97 HydrophobicContact CB-CD1 4.21Å; A55-I97 HydrophobicContact CB-CG1 4.38Å; A55-I97 WeakPolarHBondContact O-CG2 3.28Å; L68-I97 HydrophobicContact CD1-CD1 4.2Å; L93-I97 WeakPolarHBondContact O-CB 3.48Å; L93-I97 WeakPolarHBondContact O-CD1 3.22Å; L93-I97 WeakPolarHBondContact O-CG1 3.34Å; L93-I97 PolarHBondContact O-N 3.5Å; T94-I97 PolarHBondContact O-N 2.9Å; I97-S100 PolarHBondContact O-N 3.31Å; I97-S100 PolarHBondContact O-OG 3.02Å; I97-Q101 PolarHBondContact O-N 2.79Å
98	S	81.1	Confident	67.9	Low	53 Å²	53	82 Å²	82	37%	0.371	43%	0.428	S	S	.	.	H	α-helix	trans	-66.9	-40.5	178.7	75.9	0	0	0	0	112.9	T94 D95 L96 S100 Q101	T94-S98 VanDerWaalsContact O-CB 3.32Å; T94-S98 WeakPolarHBondContact O-CB 3.49Å; T94-S98 PolarHBondContact O-N 3.42Å; T94-S98 PolarHBondContact O-OG 3Å; D95-S98 PolarHBondContact O-N 3.36Å; D95-S98 PolarHBondContact O-OG 3.25Å; L96-S98 PolarHBondContact O-N 2.97Å; S98-S100 VanDerWaalsContact C-N 3.28Å; S98-S100 PolarHBondContact O-N 3.01Å; S98-Q101 PolarHBondContact O-N 3.43Å; S98-Q101 VanDerWaalsContact O-N 3.12Å
99	R	75.7	Confident	64.6	Low	149 Å²	149	82.4 Å²	82.4	56%	0.562	44%	0.438	S	S	*	.	H	α-helix	trans	-62.1	-35.7	175.1	-70.6	173.8	-169.8	-143.1	11.2	112.3	D95 L96 Q101 V102	D95-R99 WeakPolarHBondContact O-CG 3.44Å; D95-R99 PolarHBondContact O-N 2.93Å; D95-R99 IonicContact OD1-CZ 3.72Å; D95-R99 IonicContact OD1-NE 3.04Å; D95-R99 PolarHBondContact OD1-NE 2.93Å; D95-R99 IonicContact OD1-NH2 3.47Å; D95-R99 PolarHBondContact OD1-NH2 2.9Å; D95-R99 IonicContact OD2-CZ 3.27Å; D95-R99 VanDerWaalsContact OD2-CZ 3.27Å; D95-R99 IonicContact OD2-NE 3.11Å; D95-R99 PolarHBondContact OD2-NE 3.48Å; D95-R99 VanDerWaalsContact OD2-NE 3.11Å; D95-R99 IonicContact OD2-NH2 2.77Å; D95-R99 PolarHBondContact OD2-NH2 3.36Å; L96-R99 PolarHBondContact O-N 3.34Å; R99-Q101 PolarHBondContact O-N 3.25Å; R99-V102 PolarHBondContact O-N 3Å
100	S	67.5	Low	61.3	Low	4 Å²	4	88.7 Å²	88.7	3%	0.028	47%	0.472	C	S	.	.	H	α-helix	trans	-66.4	-22.4	176.6	78.8	0	0	0	0	113.9	L96 I97 S98 T103	L96-S100 PolarHBondContact O-N 2.93Å; L96-S100 VanDerWaalsContact O-N 3.08Å; I97-S100 PolarHBondContact O-N 3.31Å; I97-S100 PolarHBondContact O-OG 3.02Å; S98-S100 VanDerWaalsContact C-N 3.28Å; S98-S100 PolarHBondContact O-N 3.01Å; S100-T103 PolarHBondContact O-OG1 3.03Å
101	Q	61.1	Low	58.1	Low	116 Å²	116	99.5 Å²	99.5	54%	0.542	51%	0.513	S	S	.	.	H	α-helix	trans	-83.6	-25.3	178	-67.9	179.5	4.1	0	0	112.9	I97 S98 R99	I97-Q101 PolarHBondContact O-N 2.79Å; S98-Q101 PolarHBondContact O-N 3.43Å; S98-Q101 VanDerWaalsContact O-N 3.12Å; R99-Q101 PolarHBondContact O-N 3.25Å
102	V	50.5	Low	54.8	Low	103 Å²	103	100.3 Å²	100.3	62%	0.624	52%	0.522	S	S	*	.	H	α-helix	trans	-81.9	-24.7	-176.9	-179.3	0	0	0	0	112.4	R99 H104 T105	R99-V102 PolarHBondContact O-N 3Å; V102-H104 PolarHBondContact O-N 3.46Å; V102-T105 PolarHBondContact O-N 3.34Å; V102-T105 PolarHBondContact O-OG1 2.97Å
103	T	38.6	Very low	51.6	Low	99 Å²	99	104.6 Å²	104.6	61%	0.607	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	9.6	-177.3	48.3	0	0	0	0	115.2	S100	S100-T103 PolarHBondContact O-OG1 3.03Å
104	H	34.7	Very low	48.4	Very low	158 Å²	158	113.4 Å²	113.4	73%	0.731	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.2	11.3	175.8	-83.8	-65.8	0	0	0	115.4	V102	V102-H104 PolarHBondContact O-N 3.46Å
105	T	32.6	Very low	45.3	Very low	119 Å²	119	118 Å²	118	73%	0.73	61%	0.612	S	S	*	*	S	Bend	trans	-113.5	-1.3	174.5	36.7	0	0	0	0	116.6	V102	V102-T105 PolarHBondContact O-N 3.34Å; V102-T105 PolarHBondContact O-OG1 2.97Å
106	E	27.8	Very low	42.3	Very low	179 Å²	179	121.5 Å²	121.5	84%	0.836	63%	0.629	S	S	*	*	S	Bend	trans	-135.4	65.4	176.8	-70.6	-170.6	170.3	0	0	112.4
107	I	27.3	Very low	39.3	Very low	155 Å²	155	126.8 Å²	126.8	80%	0.795	66%	0.657	S	S	*	*			trans	-140.7	67.7	150	-50.9	179.7	0	0	0	106.8
108	E	24	Very low	36.4	Very low	185 Å²	185	137.7 Å²	137.7	86%	0.864	70%	0.697	S	S	*	*			trans	-85	134.1	148.4	-81.1	-175	155.1	0	0	106.7
109	S	24.6	Very low	33.7	Very low	89 Å²	89	140.2 Å²	140.2	62%	0.622	71%	0.712	S	S	*	*			trans	103.1	120.9	-171	70.5	0	0	0	0	111.3
110	D	25.9	Very low	31.2	Very low	133 Å²	133	140 Å²	140	71%	0.711	72%	0.722	S	S	*	*	S	Bend	cis	-151.2	108.2	10.5	-80.6	-42.8	0	0	0	107.4
111	Y	25.4	Very low	29.2	Very low	249 Å²	249	149.2 Å²	149.2	98%	0.976	76%	0.761	S	S	*	*			trans	-154.7	57.5	153.4	-95.9	-74	0	0	0	108.8
112	S	23.2	Very low	27.3	Very low	107 Å²	107	152.7 Å²	152.7	75%	0.748	78%	0.778	S	S	*	*			trans	-110.6	96.2	158.1	62.5	0	0	0	0	108.4
113	S	24.4	Very low	26.2	Very low	107 Å²	107	155.3 Å²	155.3	75%	0.748	79%	0.788	S	S	*	*			trans	-155.3	132.2	158.2	-79.2	0	0	0	0	108.1
114	F	24.8	Very low	25.5	Very low	184 Å²	184	154.5 Å²	154.5	81%	0.807	80%	0.799	S	S	*	*	S	Bend	trans	83.5	74	-177.7	-58.9	-83.5	0	0	0	117
115	N	25	Very low	25	Very low	166 Å²	166	152.9 Å²	152.9	89%	0.888	81%	0.805	S	S	*	*				-165.8	133.7	95.9	-92.3	-40.3	0	0	0	112.5
116	I	24.2	Very low	24.8	Very low	141 Å²	141	156.3 Å²	156.3	72%	0.723	81%	0.809	S	S	*	*			trans	-89.5	132.3	-168.2	-75	167.7	0	0	0	109.5
117	L	21.2	Very low	24.7	Very low	153 Å²	153	159.4 Å²	159.4	80%	0.801	81%	0.813	S	S	*	*			trans	39.5	118.4	146.5	-55.8	168.7	0	0	0	119.1
118	R	25	Very low	24.6	Very low	243 Å²	243	158.9 Å²	158.9	92%	0.917	81%	0.812	S	S	*	*				-172.8	144.6	105.2	-98	174.4	-171	-162.5	3.3	112.3
119	P	25.2	Very low	24.9	Very low	105 Å²	105	155.2 Å²	155.2	68%	0.682	81%	0.807	S	S	*	*			trans	-91.6	173	-179.5	37.9	-33.2	0	0	0	112.9
120	D	22.1	Very low	24.9	Very low	145 Å²	145	160.2 Å²	160.2	78%	0.775	82%	0.818	S	S	*	*			trans	79.4	99.9	166.2	-56.7	-25.4	0	0	0	118.1
121	K	25.1	Very low	24.9	Very low	197 Å²	197	164.5 Å²	164.5	86%	0.857	82%	0.824	S	S	*	*				175.6	133.5	98.7	-95.6	180	-179.9	178.4	0	111.1	N123	K121-N123 PolarHBondContact O-N 3.5Å
122	E	22.6	Very low	24.8	Very low	190 Å²	190	162.6 Å²	162.6	89%	0.888	82%	0.821	S	S	*	*			trans	-45.3	116.4	159.6	-64.3	175.1	143.3	0	0	110.3
123	N	26.8	Very low	24.9	Very low	157 Å²	157	162.7 Å²	162.7	84%	0.84	82%	0.818	S	S	*	*			trans	-145.3	107.7	153	-97.9	-24.6	0	0	0	107.2	K121 C125	K121-N123 PolarHBondContact O-N 3.5Å; N123-C125 PolarHBondContact O-N 3.03Å
124	G	24.1	Very low	25	Very low	82 Å²	82	163.2 Å²	163.2	85%	0.845	82%	0.819	S	S	*	*			trans	-59.3	116.8	172.4	0	0	0	0	0	109.9
125	C	24.7	Very low	25	Very low	125 Å²	125	164.5 Å²	164.5	85%	0.845	82%	0.824	S	S	*	*			trans	-112.5	93.4	150.8	-160.2	0	0	0	0	106.3	N123 R127	N123-C125 PolarHBondContact O-N 3.03Å; C125-R127 PolarHBondContact O-N 3.41Å
126	K	28.1	Very low	25	Very low	190 Å²	190	162.3 Å²	162.3	83%	0.826	82%	0.82	S	S	*	*			trans	-55.9	118.5	168.5	-73.9	175.8	177.2	173.1	0	106.7	D128	K126-D128 PolarHBondContact O-N 2.94Å; K126-D128 VanDerWaalsContact O-N 3.11Å
127	R	25.3	Very low	25	Very low	244 Å²	244	166.5 Å²	166.5	92%	0.921	83%	0.827	S	S	*	*			trans	-48.1	115.6	163.6	-90.7	174.3	160.6	154.2	-5.9	108.8	C125 S129	C125-R127 PolarHBondContact O-N 3.41Å; R127-S129 VanDerWaalsContact C-N 3.3Å; R127-S129 PolarHBondContact O-N 2.9Å
128	D	25.7	Very low	25.3	Very low	145 Å²	145	165.4 Å²	165.4	78%	0.775	83%	0.829	S	S	*	*			trans	-61.5	92	167.7	-79.3	-41.5	0	0	0	109.4	K126 F130	K126-D128 PolarHBondContact O-N 2.94Å; K126-D128 VanDerWaalsContact O-N 3.11Å; D128-F130 PolarHBondContact O-N 3.33Å
129	S	29.3	Very low	25.4	Very low	108 Å²	108	163.3 Å²	163.3	76%	0.755	83%	0.826	S	S	*	*			trans	-72.4	99.8	159.2	179.3	0	0	0	0	106.7	R127 R131	R127-S129 VanDerWaalsContact C-N 3.3Å; R127-S129 PolarHBondContact O-N 2.9Å; S129-R131 PolarHBondContact O-N 3.26Å
130	F	25.4	Very low	25.3	Very low	194 Å²	194	165.4 Å²	165.4	85%	0.851	83%	0.831	S	S	*	*			trans	-49.2	96.1	169.7	-77.6	-94.4	0	0	0	110.4	D128	D128-F130 PolarHBondContact O-N 3.33Å
131	R	25	Very low	25.5	Very low	222 Å²	222	166.2 Å²	166.2	84%	0.838	84%	0.835	S	S	*	*			trans	-81.6	116.4	167.9	-121	-176	-151.2	175.5	6.1	106.9	S129 T133	S129-R131 PolarHBondContact O-N 3.26Å; R131-T133 PolarHBondContact O-N 3.45Å
132	F	23.1	Very low	25.6	Very low	209 Å²	209	163.5 Å²	163.5	92%	0.917	83%	0.829	S	S	*	*			trans	-59.9	98.6	162.3	-98.8	-95.8	0	0	0	108.7
133	T	25.9	Very low	25.5	Very low	110 Å²	110	163.9 Å²	163.9	68%	0.675	83%	0.828	S	S	*	*			trans	-86.2	124.2	159.7	48.6	0	0	0	0	107.9	R131 K135	R131-T133 PolarHBondContact O-N 3.45Å; T133-K135 PolarHBondContact O-N 2.94Å
134	P	26.6	Very low	25.5	Very low	118 Å²	118	161.6 Å²	161.6	77%	0.766	82%	0.819	S	S	*	*			trans	-60.3	124.5	176.1	-16.3	28.4	0	0	0	109.7	C136	P134-C136 VanDerWaalsContact C-N 3.32Å; P134-C136 PolarHBondContact O-N 3.41Å
135	K	24.8	Very low	25.6	Very low	211 Å²	211	163.1 Å²	163.1	92%	0.917	81%	0.812	S	S	*	*			trans	-69.5	87.9	171.5	-71.1	-177.9	177.8	178.7	0	109	T133 R137	T133-K135 PolarHBondContact O-N 2.94Å; K135-R137 PolarHBondContact O-N 3.02Å
136	C	25	Very low	25.5	Very low	120 Å²	120	163 Å²	163	81%	0.811	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-67.1	123.8	159.5	-80.7	0	0	0	0	108.6	P134	P134-C136 VanDerWaalsContact C-N 3.32Å; P134-C136 PolarHBondContact O-N 3.41Å
137	R	24.6	Very low	25.4	Very low	229 Å²	229	161.8 Å²	161.8	86%	0.864	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-61	145.2	172.7	-71.3	-174	-175.8	-162	2.7	110.3	K135	K135-R137 PolarHBondContact O-N 3.02Å
138	P	27.6	Very low	25.4	Very low	129 Å²	129	155.1 Å²	155.1	84%	0.838	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-80	133.8	-174.6	31.9	-32.2	0	0	0	111.3
139	K	26.2	Very low	25.2	Very low	200 Å²	200	154.6 Å²	154.6	87%	0.87	81%	0.807	S	S	*	*			trans	-106.8	112.5	168.1	-93.7	-177	176.6	176.2	0	109.9
140	L	24.3	Very low	25.1	Very low	149 Å²	149	157.5 Å²	157.5	78%	0.78	81%	0.813	S	S	*	*			trans	47.7	94.4	155.3	-76.7	100.1	0	0	0	119.2
141	D	24.6	Very low	25.1	Very low	161 Å²	161	153.2 Å²	153.2	86%	0.861	81%	0.805	S	S	*	*			trans	-81.6	110.2	147.7	-93.5	-36.4	0	0	0	109.5	K143	D141-K143 PolarHBondContact O-N 3.3Å; D141-K143 VanDerWaalsContact O-N 3.16Å
142	I	28.7	Very low	25	Very low	141 Å²	141	151.2 Å²	151.2	72%	0.723	81%	0.805	S	S	*	*			trans	-75.6	98.5	166	-66.1	173.2	0	0	0	106.9	T144	I142-T144 PolarHBondContact O-N 2.98Å
143	K	20.7	Very low	25.7	Very low	198 Å²	198	146 Å²	146	86%	0.861	79%	0.792	S	S	*	*			trans	-64.8	115.1	165.4	-70.8	179.6	177.1	179.2	0	108.7	D141	D141-K143 PolarHBondContact O-N 3.3Å; D141-K143 VanDerWaalsContact O-N 3.16Å
144	T	26.7	Very low	25.6	Very low	108 Å²	108	149.3 Å²	149.3	66%	0.663	81%	0.805	S	S	*	*			trans	-139.7	108.5	156.4	-40.2	0	0	0	0	109.7	I142	I142-T144 PolarHBondContact O-N 2.98Å
145	T	26.5	Very low	25.3	Very low	115 Å²	115	147.4 Å²	147.4	71%	0.706	80%	0.799	S	S	*	*			trans	55.2	101.8	152	55.7	0	0	0	0	118.4	L147	T145-L147 PolarHBondContact O-N 3.45Å
146	S	20.8	Very low	25.2	Very low	122 Å²	122	144.7 Å²	144.7	85%	0.853	79%	0.794	S	S	*	*			trans	-42.5	116.8	147.9	56	0	0	0	0	112.1
147	L	26.2	Very low	25.2	Very low	165 Å²	165	148.1 Å²	148.1	86%	0.864	80%	0.798	S	S	*	*			trans	-119.8	139.5	153.6	-103	143.9	0	0	0	108.1	T145	T145-L147 PolarHBondContact O-N 3.45Å
148	S	26.6	Very low	25	Very low	103 Å²	103	142.6 Å²	142.6	72%	0.72	80%	0.795	S	S	*	*			trans	-63.2	137.7	-160	44.7	0	0	0	0	116.2
149	V	21.4	Very low	24.8	Very low	134 Å²	134	144 Å²	144	81%	0.812	79%	0.794	S	S	*	*			trans	2.9	117	134.5	-177.2	0	0	0	0	116.3
150	L	25.6	Very low	24.5	Very low	170 Å²	170	138.6 Å²	138.6	89%	0.89	78%	0.781	S	S	*	*			trans	-161.3	152	131.9	-102.4	136.7	0	0	0	110.4
151	P	26.3	Very low	24.6	Very low	103 Å²	103	139.4 Å²	139.4	67%	0.669	79%	0.786	S	S	*	*			trans	-110.7	163.1	-155.7	40.4	-30.8	0	0	0	115.4
152	Q	24	Very low	24.5	Very low	180 Å²	180	137.9 Å²	137.9	84%	0.841	78%	0.777	S	S	*	*			trans	79.4	156	146.3	-72.1	-103.1	-15.2	0	0	119
153	P	35.9	Very low	24.4	Very low	101 Å²	101	138.6 Å²	138.6	66%	0.656	78%	0.782	S	S	*	*				-113	158	-128.8	40.5	-34.9	0	0	0	114.3
154	L	24	Very low	24.6	Very low	178 Å²	178	135.3 Å²	135.3	93%	0.932	78%	0.783	S	S	*	*			trans	-136.1	110.6	158.3	-89.6	159.8	0	0	0	109.6
155	A	21.6	Very low	24.4	Very low	78 Å²	78	138.9 Å²	138.9	65%	0.645	79%	0.792	S	S	*	*			trans	-66.2	154.3	156.4	0	0	0	0	0	109.8
156	N	22.6	Very low	24.4	Very low	154 Å²	154	139.6 Å²	139.6	82%	0.824	80%	0.8	S	S	*	*			trans	76.3	98.9	166.9	-56.9	-16.8	0	0	0	117
157	Q	24.9	Very low	24.5	Very low	192 Å²	192	138.3 Å²	138.3	90%	0.897	80%	0.797	S	S	*	*				-154.1	115.2	125.1	-108.6	169.7	28.9	0	0	111
158	S	20.6	Very low	24.4	Very low	113 Å²	113	135.5 Å²	135.5	79%	0.79	79%	0.792	S	S	*	*			trans	-57.1	132.4	163.5	48	0	0	0	0	111.7
159	I	23	Very low	24.5	Very low	159 Å²	159	139.1 Å²	139.1	82%	0.815	80%	0.797	S	S	*	*			trans	-122.5	113	153.9	-61.5	178.9	0	0	0	107.1
160	S	20.2	Very low	24.5	Very low	86 Å²	86	137.8 Å²	137.8	60%	0.601	79%	0.794	S	S	*	*			trans	-80.7	136.1	172.2	133.8	0	0	0	0	109
161	L	25	Very low	24.4	Very low	167 Å²	167	135.4 Å²	135.4	87%	0.874	79%	0.79	S	S	*	*			trans	-130.2	111.1	154.9	-98.8	154.3	0	0	0	109.2
162	N	23.3	Very low	24.2	Very low	128 Å²	128	135.6 Å²	135.6	68%	0.684	79%	0.794	S	S	*	*			trans	-64.1	137.6	171.5	-66.3	-48	0	0	0	111.4
163	N	26.3	Very low	24.4	Very low	156 Å²	156	135.3 Å²	135.3	83%	0.834	79%	0.792	S	S	*	*				158.9	104.3	119.2	-89.4	-9.1	0	0	0	110.8
164	C	25.8	Very low	23.8	Very low	130 Å²	130	137 Å²	137	88%	0.878	80%	0.795	S	S	*	*				-159.9	113	128.5	-151.1	0	0	0	0	109.1
165	Q	22.2	Very low	23.7	Very low	182 Å²	182	131.7 Å²	131.7	85%	0.85	78%	0.784	S	S	*	*			trans	-64.5	132.9	160.5	-66.8	168.5	-24	0	0	106.5
166	C	26.4	Very low	23.8	Very low	130 Å²	130	135.7 Å²	135.7	88%	0.878	79%	0.793	S	S	*	*				-159.3	134.9	96.9	-73.9	0	0	0	0	110.1
167	A	22.6	Very low	23.7	Very low	95 Å²	95	133 Å²	133	79%	0.785	79%	0.786	S	S	*	*			trans	-65.7	144.3	-178.6	0	0	0	0	0	113.8
168	S	24.9	Very low	23.5	Very low	107 Å²	107	131.6 Å²	131.6	75%	0.748	78%	0.784	S	S	*	*				170.7	136.8	100.7	45.3	0	0	0	0	112.4
169	Q	27.7	Very low	23.6	Very low	179 Å²	179	131.3 Å²	131.3	84%	0.836	78%	0.783	S	S	*	*			trans	74.9	83.1	165.3	-57.4	179	7.2	0	0	116.4
170	S	22.3	Very low	23.6	Very low	106 Å²	106	130 Å²	130	74%	0.741	78%	0.782	S	S	*	*				57.6	100.7	82.7	75.6	0	0	0	0	115.1
171	C	23.8	Very low	23.7	Very low	120 Å²	120	134.9 Å²	134.9	81%	0.811	79%	0.793	S	S	*	*			trans	170.7	85	140.4	-85	0	0	0	0	106.3
172	S	21.9	Very low	23.5	Very low	106 Å²	106	134.4 Å²	134.4	74%	0.741	79%	0.791	S	S	*	*				32.3	93.2	87.7	61.3	0	0	0	0	115.2
173	H	26.4	Very low	23.6	Very low	175 Å²	175	135.5 Å²	135.5	81%	0.81	79%	0.792	S	S	*	*				-165.5	146	110.7	-116	-70.7	0	0	0	112.6
174	D	24	Very low	23.4	Very low	136 Å²	136	136 Å²	136	73%	0.727	79%	0.787	S	S	*	*			trans	-45.4	149.2	-178.5	-57.5	-69.5	0	0	0	116.2
175	G	21.9	Very low	23.1	Very low	67 Å²	67	139 Å²	139	69%	0.691	79%	0.785	S	S	*	*			trans	-65.6	157.7	166.6	0	0	0	0	0	112.3
176	L	23.7	Very low	23.4	Very low	161 Å²	161	142.2 Å²	142.2	84%	0.843	79%	0.79	S	S	*	*			trans	-166.9	135.5	145	-112.2	139.5	0	0	0	110.2
177	C	21.7	Very low	23	Very low	99 Å²	99	147.4 Å²	147.4	67%	0.669	79%	0.791	S	S	*	*			trans	52.4	114.5	148	64.1	0	0	0	0	120.8
178	N	20.3	Very low	23.2	Very low	161 Å²	161	150.5 Å²	150.5	86%	0.861	79%	0.793	S	S	*	*				11	111.6	116.1	-73.2	-18.9	0	0	0	116.3
179	S	23.1	Very low	22.9	Very low	108 Å²	108	154.6 Å²	154.6	76%	0.755	80%	0.797	S	S	*	*				-176.2	128.1	121	44.3	0	0	0	0	111.3
180	T	22.2	Very low	22.8	Very low	131 Å²	131	153.5 Å²	153.5	80%	0.804	80%	0.795	S	S	*	*			trans	4.8	121.6	147.6	43.1	0	0	0	0	118.4
181	F	23.3	Very low	22.7	Very low	189 Å²	189	157.5 Å²	157.5	83%	0.829	80%	0.799	S	S	*	*			trans	-154	117.5	136	-137.3	-102	0	0	0	112.2
182	N	19.1	Very low	22.5	Very low	156 Å²	156	159.9 Å²	159.9	83%	0.834	80%	0.798	S	S	*	*			trans	-71.4	127.8	158	-98.7	-55.2	0	0	0	108
183	E	25.6	Very low	22.6	Very low	152 Å²	152	160.9 Å²	160.9	71%	0.71	80%	0.795	S	S	*	*			trans	-165.8	117	138.7	-112.8	-165.5	163	0	0	114.6
184	K	22.5	Very low	22.3	Very low	167 Å²	167	159.6 Å²	159.6	73%	0.726	79%	0.793	S	S	*	*			trans	37.7	122.7	132.3	-68.9	-178.5	175.1	164.9	0	121.9
185	F	20.3	Very low	22.2	Very low	191 Å²	191	157.7 Å²	157.7	84%	0.838	79%	0.791	S	S	*	*				44.9	118.7	129.9	-71.5	-87.2	0	0	0	120
186	R	27	Very low	22.2	Very low	251 Å²	251	163.9 Å²	163.9	95%	0.947	80%	0.799	S	S	*	*			trans	-146.9	127.3	135.7	-106	175.4	-167	-178.2	4.1	112.6
187	R	19.9	Very low	22.2	Very low	239 Å²	239	161 Å²	161	90%	0.902	79%	0.792	S	S	*	*			trans	-64.9	139.8	171.1	-69.8	170.3	177.8	152.7	-1.8	110.8
188	I	25.5	Very low	22.2	Very low	160 Å²	160	163.7 Å²	163.7	82%	0.821	80%	0.8	S	S	*	*			trans	-134.7	122	153.3	-62.8	-177.4	0	0	0	109.1	I190	I188-I190 HydrophobicContact CG2-CD1 4.27Å
189	K	18.5	Very low	22.4	Very low	193 Å²	193	162.1 Å²	162.1	84%	0.839	80%	0.8	S	S	*	*			trans	-84.2	146	167.6	-78.7	173.7	169.6	176	0	108.9
190	I	25.1	Very low	22.2	Very low	156 Å²	156	168.2 Å²	168.2	80%	0.8	81%	0.806	S	S	*	*			trans	-170.4	106.9	144.7	-80.9	129.8	0	0	0	104.1	I188	I188-I190 HydrophobicContact CG2-CD1 4.27Å
191	K	20.4	Very low	22.3	Very low	189 Å²	189	167.5 Å²	167.5	82%	0.822	81%	0.805	S	S	*	*				57.5	101.1	72.6	-83.7	-162.7	175	-170.4	0	116.5
192	H	20.4	Very low	22.2	Very low	170 Å²	170	164.5 Å²	164.5	79%	0.787	80%	0.802	S	S	*	*				43.2	121	128.4	-86.3	-92.2	0	0	0	120.3
193	D	22.8	Very low	22.4	Very low	128 Å²	128	161.7 Å²	161.7	68%	0.684	80%	0.795	S	S	*	*				164.8	119.4	108.1	-95.5	-14.7	0	0	0	110.6
194	L	21.4	Very low	22.4	Very low	147 Å²	147	162.3 Å²	162.3	77%	0.77	80%	0.803	S	S	*	*				81.7	114.8	102.8	-75	169.6	0	0	0	116.4
195	S	21.5	Very low	22.4	Very low	97 Å²	97	158.9 Å²	158.9	68%	0.678	81%	0.806	S	S	*	*			trans	88.4	124.8	131.2	79.9	0	0	0	0	121.2
196	K	22.5	Very low	22.5	Very low	196 Å²	196	158 Å²	158	85%	0.852	81%	0.809	S	S	*	*			trans	82.2	131.6	136.9	-74.7	176.6	178.5	-179.1	0	121.7
197	S	22.6	Very low	22.5	Very low	100 Å²	100	152.6 Å²	152.6	70%	0.699	80%	0.798	S	S	*	*			trans	78.4	114.3	141.3	55.9	0	0	0	0	121.3
198	D	21.5	Very low	22.6	Very low	156 Å²	156	145.5 Å²	145.5	83%	0.834	79%	0.785	S	S	*	*				47.3	115.1	126.7	-61	-29.2	0	0	0	121.1
199	C	24.4	Very low	22.7	Very low	128 Å²	128	144 Å²	144	87%	0.865	78%	0.778	S	S	*	*			trans	172.3	108.2	135.6	-96.5	0	0	0	0	108.4
200	R	20.5	Very low	22.9	Very low	236 Å²	236	138.9 Å²	138.9	89%	0.891	77%	0.767	S	S	*	*				43.4	121.7	98.7	-78.4	-168.9	-172.2	-178.9	4.1	116.4
201	C	23.1	Very low	22.9	Very low	116 Å²	116	141.4 Å²	141.4	78%	0.784	77%	0.768	S	S	*	*			trans	102.7	113.4	147.8	-62.5	0	0	0	0	119.3
202	V	22.2	Very low	23	Very low	126 Å²	126	137.9 Å²	137.9	76%	0.764	77%	0.767	S	S	*	*			trans	78.6	103.9	134.6	-173.1	0	0	0	0	118.3
203	S	21.9	Very low	23.2	Very low	98 Å²	98	137.4 Å²	137.4	69%	0.685	77%	0.77	S	S	*	*			trans	7.8	112	141.4	52.7	0	0	0	0	118.6
204	D	26.7	Very low	23.3	Very low	165 Å²	165	137.3 Å²	137.3	88%	0.882	78%	0.776	S	S	*	*				-158	134.9	118.7	-96.1	-28.1	0	0	0	109.9	L206	D204-L206 PolarHBondContact O-N 3.33Å
205	A	22.3	Very low	23.4	Very low	95 Å²	95	137 Å²	137	79%	0.785	78%	0.779	S	S	*	*			trans	-80	104.2	-165	0	0	0	0	0	112.4
206	L	23.6	Very low	23.6	Very low	172 Å²	172	143.1 Å²	143.1	90%	0.901	79%	0.789	S	S	*	*			trans	-111.6	91.5	153	-92.5	158.2	0	0	0	107.3	D204 S208	D204-L206 PolarHBondContact O-N 3.33Å; L206-S208 PolarHBondContact O-N 3.06Å
207	I	24.9	Very low	23.6	Very low	138 Å²	138	142 Å²	142	71%	0.708	79%	0.787	S	S	*	*			trans	-76.7	79.8	173.3	-57.1	179.4	0	0	0	107.9	N209	I207-N209 HydrophobicContact CG2-CB 4.39Å; I207-N209 WeakPolarHBondContact CG2-OD1 3.38Å; I207-N209 PolarHBondContact O-N 3.33Å
208	S	23.3	Very low	23.7	Very low	90 Å²	90	146 Å²	146	63%	0.629	80%	0.795	S	S	*	*			trans	-75.5	93.9	154.1	171.4	0	0	0	0	107.4	L206 S210	L206-S208 PolarHBondContact O-N 3.06Å; S208-S210 PolarHBondContact O-N 3.31Å
209	N	27.1	Very low	23.9	Very low	128 Å²	128	146.2 Å²	146.2	68%	0.684	80%	0.796	S	S	*	*			trans	-78.7	72.2	170.9	-89	-18.8	0	0	0	110.2	I207	I207-N209 HydrophobicContact CG2-CB 4.39Å; I207-N209 WeakPolarHBondContact CG2-OD1 3.38Å; I207-N209 PolarHBondContact O-N 3.33Å
210	S	22.1	Very low	24	Very low	86 Å²	86	146.3 Å²	146.3	60%	0.601	79%	0.792	S	S	*	*			trans	-93.4	86.3	161.1	50.7	0	0	0	0	108.4	S208	S208-S210 PolarHBondContact O-N 3.31Å
211	Y	25.8	Very low	24.2	Very low	208 Å²	208	139.7 Å²	139.7	82%	0.816	79%	0.788	S	S	*	*			trans	-102.9	102.1	164.6	-81.3	-81.1	0	0	0	109.1	L213	Y211-L213 PolarHBondContact O-N 3.08Å
212	S	23	Very low	24.4	Very low	116 Å²	116	140 Å²	140	81%	0.811	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-61.5	121.1	175.1	-40.3	0	0	0	0	110.4
213	L	24.5	Very low	24.6	Very low	160 Å²	160	141 Å²	141	84%	0.838	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-63.2	137.1	171.2	-72.8	153.8	0	0	0	110.6	Y211 V215	Y211-L213 PolarHBondContact O-N 3.08Å; L213-V215 PolarHBondContact O-N 3.41Å
214	P	24.2	Very low	24.7	Very low	125 Å²	125	143.9 Å²	143.9	81%	0.812	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-66.4	121.4	167.4	-13.4	27.6	0	0	0	109.7	Y216	P214-Y216 PolarHBondContact O-N 3.36Å
215	V	23.4	Very low	24.7	Very low	140 Å²	140	143.9 Å²	143.9	85%	0.848	79%	0.794	S	S	*	*			trans	-70.8	105.4	171.4	177.7	0	0	0	0	107.8	L213	L213-V215 PolarHBondContact O-N 3.41Å
216	Y	26.3	Very low	24.9	Very low	226 Å²	226	148.6 Å²	148.6	89%	0.886	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-103.8	135.6	157.5	-148.3	-97.2	0	0	0	107.8	P214	P214-Y216 PolarHBondContact O-N 3.36Å
217	E	23.3	Very low	25	Very low	173 Å²	173	148.9 Å²	148.9	81%	0.808	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-55.1	142.7	-159.8	-74.5	173.2	134.8	0	0	115.7	N219	E217-N219 PolarHBondContact O-N 2.93Å
218	Q	24.5	Very low	25	Very low	184 Å²	184	151.5 Å²	151.5	86%	0.86	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-59.7	122.8	165.9	-68.6	172.5	-54.1	0	0	110
219	N	25.2	Very low	25.1	Very low	161 Å²	161	152.6 Å²	152.6	86%	0.861	81%	0.81	S	S	*	*			trans	179.3	67.8	138.4	-88.9	-26.6	0	0	0	111.1	E217	E217-N219 PolarHBondContact O-N 2.93Å
220	V	25.7	Very low	25.2	Very low	129 Å²	129	153.8 Å²	153.8	78%	0.782	82%	0.817	S	S	*	*			trans	-139.9	111.2	145.3	-175.1	0	0	0	0	106.3	T222	V220-T222 PolarHBondContact O-N 2.89Å
221	A	25.8	Very low	25.6	Very low	98 Å²	98	155.7 Å²	155.7	81%	0.81	83%	0.825	S	S	*	*			trans	-59.4	99.1	177.3	0	0	0	0	0	109.8	N223	A221-N223 PolarHBondContact O-N 3.19Å
222	T	27.2	Very low	25.6	Very low	122 Å²	122	149.5 Å²	149.5	75%	0.748	83%	0.825	S	S	*	*			trans	-80.2	63	169.6	42.9	0	0	0	0	109.8	V220	V220-T222 PolarHBondContact O-N 2.89Å
223	N	25.3	Very low	25.9	Very low	146 Å²	146	155.4 Å²	155.4	78%	0.781	83%	0.829	S	S	*	*			trans	-138.4	74.1	167	-86.2	-26	0	0	0	108	A221	A221-N223 PolarHBondContact O-N 3.19Å
224	D	25.5	Very low	26.1	Very low	159 Å²	159	159.4 Å²	159.4	85%	0.85	83%	0.833	S	S	*	*			trans	-175.4	61.1	146.6	-92.3	-23.3	0	0	0	109.9
225	L	26.6	Very low	26.3	Very low	165 Å²	165	161.6 Å²	161.6	86%	0.864	84%	0.837	S	S	*	*			trans	-112	55.3	163.4	-74.1	170.4	0	0	0	109.3
226	K	25.3	Very low	26.6	Very low	195 Å²	195	159.1 Å²	159.1	85%	0.848	83%	0.826	S	S	*	*			trans	-88.6	93.1	154	-104.6	179.5	178.2	172.8	0	107.2	K228	K226-K228 VanDerWaalsContact C-N 3.34Å; K226-K228 PolarHBondContact O-N 2.93Å
227	M	25.5	Very low	26.8	Very low	178 Å²	178	159.3 Å²	159.3	88%	0.877	83%	0.825	S	S	*	*			trans	-59.1	97	165.4	-71.5	-147.3	77.4	0	0	109.1
228	K	25.4	Very low	26.9	Very low	192 Å²	192	155.8 Å²	155.8	84%	0.835	81%	0.808	S	S	*	*			trans	-78.2	117.2	154.3	-86.7	-174.5	174.5	179.8	0	107.2	K226 D230	K226-K228 VanDerWaalsContact C-N 3.34Å; K226-K228 PolarHBondContact O-N 2.93Å; K228-D230 PolarHBondContact O-N 2.97Å
229	S	26.4	Very low	27	Very low	114 Å²	114	156.7 Å²	156.7	80%	0.797	81%	0.805	S	S	*	*			trans	-49.5	109.6	160.6	50.1	0	0	0	0	109.7
230	D	27.6	Very low	27	Very low	153 Å²	153	155.7 Å²	155.7	82%	0.818	81%	0.805	S	S	*	*			trans	-154.6	144.6	153.5	-122.9	-21	0	0	0	111.9	K228	K228-D230 PolarHBondContact O-N 2.97Å
231	T	30.4	Very low	26.9	Very low	125 Å²	125	156.5 Å²	156.5	77%	0.767	80%	0.798	S	S	*	*			trans	-64.2	146	-164.2	49.7	0	0	0	0	115.3
232	G	27.6	Very low	26.9	Very low	79 Å²	79	157.1 Å²	157.1	81%	0.814	80%	0.797	S	S	*	*			trans	87.3	20	138.1	0	0	0	0	0	120.4	R234	G232-R234 PolarHBondContact O-N 3.3Å
233	R	27.7	Very low	27	Very low	240 Å²	240	155.2 Å²	155.2	91%	0.906	78%	0.781	S	S	*	*			trans	-84.7	94.3	175.3	-75.5	-173.5	-179.8	-176.6	0.2	113.2	L235	R233-L235 PolarHBondContact O-N 3.04Å
234	R	29.7	Very low	27.6	Very low	244 Å²	244	154.4 Å²	154.4	92%	0.921	77%	0.772	S	S	*	*			trans	-68	102.5	158.8	-80.4	179.9	171.4	-176.2	-2	109	G232 S236	G232-R234 PolarHBondContact O-N 3.3Å; R234-S236 PolarHBondContact O-N 3.02Å
235	L	28.9	Very low	28.8	Very low	171 Å²	171	151.9 Å²	151.9	90%	0.895	76%	0.759	S	S	*	*			trans	-70.3	111.2	174.4	-72.6	163.5	0	0	0	110	R233	R233-L235 PolarHBondContact O-N 3.04Å
236	S	27.9	Very low	30	Very low	88 Å²	88	146.9 Å²	146.9	62%	0.615	74%	0.738	S	S	*	*			trans	-75.2	129.4	173.5	50.6	0	0	0	0	110.6	R234 Q238	R234-S236 PolarHBondContact O-N 3.02Å; S236-Q238 PolarHBondContact O-N 2.87Å
237	R	30.4	Very low	31.5	Very low	229 Å²	229	141.1 Å²	141.1	86%	0.864	72%	0.716	S	S	*	*	S	Bend	trans	-32.7	112.2	171.7	-74.5	169.6	161.8	177.5	-6.9	113.6
238	Q	26.4	Very low	33.2	Very low	99 Å²	99	139.5 Å²	139.5	46%	0.463	70%	0.7	S	S	.	*			trans	171.6	65.9	140.1	-98.9	173.4	-29.6	0	0	108.4	S236	S236-Q238 PolarHBondContact O-N 2.87Å
239	Y	27.2	Very low	35	Very low	203 Å²	203	134.6 Å²	134.6	80%	0.796	68%	0.683	S	S	*	*			trans	-120.7	95.7	145.7	-80.7	-82.7	0	0	0	104.7	F241	Y239-F241 HydrophobicContact CD1-CD2 4.12Å; Y239-F241 AromaticContact CD1-CE2 3.56Å; Y239-F241 HydrophobicContact CD1-CE2 3.56Å; Y239-F241 HydrophobicContact CD1-CZ 4.31Å; Y239-F241 HydrophobicContact CE1-CE2 4.35Å; Y239-F241 HydrophobicContact CG-CD2 4.25Å; Y239-F241 HydrophobicContact CG-CE2 4.03Å; Y239-F241 PolarHBondContact O-N 3.43Å
240	V	24.3	Very low	36.9	Very low	140 Å²	140	134.3 Å²	134.3	85%	0.848	67%	0.669	S	S	*	*			trans	-71.8	73	160.1	-178.6	0	0	0	0	105.1	S242	V240-S242 PolarHBondContact O-N 3.06Å
241	F	24.4	Very low	38.9	Very low	147 Å²	147	131 Å²	131	65%	0.645	65%	0.654	S	S	*	*			trans	-76	103.4	154.1	-83.9	-70.3	0	0	0	104.5	Y239 I243	Y239-F241 HydrophobicContact CD1-CD2 4.12Å; Y239-F241 AromaticContact CD1-CE2 3.56Å; Y239-F241 HydrophobicContact CD1-CE2 3.56Å; Y239-F241 HydrophobicContact CD1-CZ 4.31Å; Y239-F241 HydrophobicContact CE1-CE2 4.35Å; Y239-F241 HydrophobicContact CG-CD2 4.25Å; Y239-F241 HydrophobicContact CG-CE2 4.03Å; Y239-F241 PolarHBondContact O-N 3.43Å; F241-I243 HydrophobicContact CB-CD1 3.84Å; F241-I243 HydrophobicContact CB-CG1 3.96Å; F241-I243 HydrophobicContact CD1-CD1 4.44Å; F241-I243 HydrophobicContact CG-CD1 4.21Å; F241-I243 PolarHBondContact O-N 3.06Å
242	S	25.1	Very low	40.6	Very low	111 Å²	111	127.3 Å²	127.3	78%	0.776	63%	0.629	S	S	*	*			trans	-66.1	68	157.6	-166.4	0	0	0	0	107.4	V240	V240-S242 PolarHBondContact O-N 3.06Å
243	I	29.9	Very low	42.8	Very low	82 Å²	82	128.2 Å²	128.2	42%	0.421	61%	0.612	S	S	.	*			trans	-88.4	100.9	160.7	-68.7	162.1	0	0	0	102.4	F241 D245 N247	F241-I243 HydrophobicContact CB-CD1 3.84Å; F241-I243 HydrophobicContact CB-CG1 3.96Å; F241-I243 HydrophobicContact CD1-CD1 4.44Å; F241-I243 HydrophobicContact CG-CD1 4.21Å; F241-I243 PolarHBondContact O-N 3.06Å; I243-D245 PolarHBondContact O-N 3.13Å; I243-N247 HydrophobicContact CG2-CB 3.79Å
244	E	37.6	Very low	44.9	Very low	128 Å²	128	118.9 Å²	118.9	60%	0.598	59%	0.586	S	S	*	*			trans	-42	130.9	175.5	-64.1	177.1	158.8	0	0	109.7	S246 N247	E244-S246 WeakPolarHBondContact CB-OG 3.45Å; E244-S246 PolarHBondContact O-N 3.34Å; E244-N247 PolarHBondContact O-N 3.15Å
245	D	51.1	Low	47	Very low	107 Å²	107	112 Å²	112	57%	0.572	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.3	-24	-177.5	-78.3	-46.2	0	0	0	112.8	I243 N247 R248	I243-D245 PolarHBondContact O-N 3.13Å; D245-N247 VanDerWaalsContact C-N 3.31Å; D245-N247 PolarHBondContact O-N 2.89Å; D245-R248 PolarHBondContact O-N 3.44Å
246	S	50.3	Low	49.1	Very low	59 Å²	59	107.1 Å²	107.1	41%	0.413	54%	0.539	S	S	.	.	H	α-helix	trans	-49.3	-46.3	170.6	-12.3	0	0	0	0	112.6	E244 R248 L249 E250	E244-S246 WeakPolarHBondContact CB-OG 3.45Å; E244-S246 PolarHBondContact O-N 3.34Å; S246-R248 VanDerWaalsContact C-N 3.32Å; S246-R248 PolarHBondContact O-N 2.86Å; S246-L249 PolarHBondContact O-N 3.43Å; S246-E250 WeakPolarHBondContact O-CG 3.26Å; S246-E250 PolarHBondContact O-N 3.39Å
247	N	58.1	Low	51.4	Low	74 Å²	74	109.9 Å²	109.9	40%	0.396	54%	0.536	S	S	.	.	H	α-helix	trans	-66.1	-30.9	-171.9	-81.8	-25.6	0	0	0	112.9	I243 E244 D245 V251	I243-N247 HydrophobicContact CG2-CB 3.79Å; E244-N247 PolarHBondContact O-N 3.15Å; D245-N247 VanDerWaalsContact C-N 3.31Å; D245-N247 PolarHBondContact O-N 2.89Å; N247-V251 WeakPolarHBondContact O-CB 3.44Å; N247-V251 WeakPolarHBondContact O-CG2 3.35Å; N247-V251 PolarHBondContact O-N 3.02Å
248	R	60.2	Low	53.6	Low	145 Å²	145	108.3 Å²	108.3	55%	0.547	53%	0.53	S	S	.	.	H	α-helix	trans	-76.2	-41.1	-176.2	-72.2	-174.7	175.2	-169.6	0.4	112.6	D245 S246 E250 V251 I252	D245-R248 PolarHBondContact O-N 3.44Å; S246-R248 VanDerWaalsContact C-N 3.32Å; S246-R248 PolarHBondContact O-N 2.86Å; R248-E250 VanDerWaalsContact C-N 3.32Å; R248-V251 PolarHBondContact O-N 3.18Å; R248-I252 WeakPolarHBondContact O-CG1 3.46Å; R248-I252 PolarHBondContact O-N 2.9Å; R248-I252 VanDerWaalsContact O-N 3.08Å
249	L	64.8	Low	56	Low	89 Å²	89	105.3 Å²	105.3	47%	0.466	52%	0.517	S	S	.	.	H	α-helix	trans	-66	-41.6	175.6	-163.2	72.8	0	0	0	109.8	S246 V251 I252 E253 T340	S246-L249 PolarHBondContact O-N 3.43Å; L249-V251 PolarHBondContact O-N 3.02Å; L249-I252 PolarHBondContact O-N 3.18Å; L249-E253 WeakPolarHBondContact O-CG 3.41Å; L249-E253 PolarHBondContact O-N 3.39Å; L249-T340 HydrophobicContact CD1-CG2 4.2Å
250	E	66.3	Low	58.5	Low	107 Å²	107	100 Å²	100	50%	0.5	50%	0.499	S	S	.	.	H	α-helix	trans	-60.1	-41.4	174.1	-75.2	179.4	-168.7	0	0	112.9	S246 R248 E253 A254	S246-E250 WeakPolarHBondContact O-CG 3.26Å; S246-E250 PolarHBondContact O-N 3.39Å; R248-E250 VanDerWaalsContact C-N 3.32Å; E250-E253 PolarHBondContact O-N 3.31Å; E250-A254 VanDerWaalsContact O-CB 3.24Å; E250-A254 WeakPolarHBondContact O-CB 3.5Å; E250-A254 PolarHBondContact O-N 2.96Å
251	V	69.2	Low	61	Low	85 Å²	85	98.4 Å²	98.4	52%	0.515	49%	0.485	S	S	.	.	H	α-helix	trans	-63.2	-42.2	175.2	166.9	0	0	0	0	111.4	N247 R248 L249 A254 L255	N247-V251 WeakPolarHBondContact O-CB 3.44Å; N247-V251 WeakPolarHBondContact O-CG2 3.35Å; N247-V251 PolarHBondContact O-N 3.02Å; R248-V251 PolarHBondContact O-N 3.18Å; L249-V251 PolarHBondContact O-N 3.02Å; V251-A254 PolarHBondContact O-N 3.44Å; V251-L255 HydrophobicContact CG1-CD1 4.05Å; V251-L255 WeakPolarHBondContact O-CB 3.36Å; V251-L255 WeakPolarHBondContact O-CG 3.41Å; V251-L255 PolarHBondContact O-N 3.36Å
252	I	66.5	Low	63.5	Low	46 Å²	46	97 Å²	97	24%	0.236	48%	0.481	C	S	.	.	H	α-helix	trans	-65.8	-42.3	177.4	-66.9	167.9	0	0	0	110.7	R248 L249 L255 K256 L336 T340	R248-I252 WeakPolarHBondContact O-CG1 3.46Å; R248-I252 PolarHBondContact O-N 2.9Å; R248-I252 VanDerWaalsContact O-N 3.08Å; L249-I252 PolarHBondContact O-N 3.18Å; I252-L255 PolarHBondContact O-N 3.41Å; I252-K256 WeakPolarHBondContact O-CB 3.44Å; I252-K256 PolarHBondContact O-N 2.8Å; I252-L336 HydrophobicContact CG2-CD2 4.21Å; I252-T340 HydrophobicContact CB-CG2 4.26Å; I252-T340 HydrophobicContact CD1-CG2 3.86Å; I252-T340 HydrophobicContact CG2-CG2 3.51Å
253	E	72.2	Confident	66.1	Low	98 Å²	98	92.4 Å²	92.4	46%	0.458	45%	0.447	S	S	.	.	H	α-helix	trans	-65.7	-38.2	175.6	-73.6	-173.4	176.5	0	0	112.7	L249 E250 K256 R257	L249-E253 WeakPolarHBondContact O-CG 3.41Å; L249-E253 PolarHBondContact O-N 3.39Å; E250-E253 PolarHBondContact O-N 3.31Å; E253-K256 PolarHBondContact O-N 3.37Å; E253-R257 PolarHBondContact O-N 2.93Å
254	A	72.7	Confident	68.5	Low	44 Å²	44	91.7 Å²	91.7	36%	0.364	45%	0.449	S	S	.	.	H	α-helix	trans	-65.5	-40.9	174.7	0	0	0	0	0	111.6	E250 V251 R257 R258	E250-A254 VanDerWaalsContact O-CB 3.24Å; E250-A254 WeakPolarHBondContact O-CB 3.5Å; E250-A254 PolarHBondContact O-N 2.96Å; V251-A254 PolarHBondContact O-N 3.44Å; A254-R257 PolarHBondContact O-N 2.89Å; A254-R258 WeakPolarHBondContact O-CB 3.45Å; A254-R258 PolarHBondContact O-N 3.34Å
255	L	73	Confident	70.3	Confident	99 Å²	99	89.6 Å²	89.6	52%	0.518	44%	0.442	S	S	.	.	H	α-helix	trans	-61.3	-44.4	172.4	-84.4	162.1	0	0	0	111.5	V251 I252 R258 L259	V251-L255 HydrophobicContact CG1-CD1 4.05Å; V251-L255 WeakPolarHBondContact O-CB 3.36Å; V251-L255 WeakPolarHBondContact O-CG 3.41Å; V251-L255 PolarHBondContact O-N 3.36Å; I252-L255 PolarHBondContact O-N 3.41Å; L255-R258 PolarHBondContact O-N 3.39Å; L255-L259 WeakPolarHBondContact O-CB 3.32Å; L255-L259 PolarHBondContact O-N 3.19Å
256	K	73.6	Confident	71.6	Confident	69 Å²	69	87.2 Å²	87.2	30%	0.3	43%	0.429	S	S	.	.	H	α-helix	trans	-60.5	-45.6	176.7	-173.8	177.8	176.7	176.2	0	111.6	I252 E253 L259 H260 L336	I252-K256 WeakPolarHBondContact O-CB 3.44Å; I252-K256 PolarHBondContact O-N 2.8Å; E253-K256 PolarHBondContact O-N 3.37Å; K256-L259 PolarHBondContact O-N 3.18Å; K256-H260 WeakPolarHBondContact O-CB 3.32Å; K256-H260 PolarHBondContact O-N 3.16Å; K256-L336 HydrophobicContact CB-CD1 4.34Å
257	R	76.6	Confident	72.9	Confident	147 Å²	147	85.8 Å²	85.8	56%	0.555	42%	0.419	S	S	*	.	H	α-helix	trans	-59.5	-48	174.8	-80	-178.3	-97.5	136.3	-8	111.6	E253 A254 L259 H260 D261	E253-R257 PolarHBondContact O-N 2.93Å; A254-R257 PolarHBondContact O-N 2.89Å; R257-L259 VanDerWaalsContact C-N 3.34Å; R257-L259 PolarHBondContact O-N 3.31Å; R257-H260 WeakPolarHBondContact O-CB 3.46Å; R257-H260 PolarHBondContact O-N 2.76Å; R257-D261 VanDerWaalsContact O-CG 3.29Å; R257-D261 PolarHBondContact O-N 2.93Å
258	R	75.4	Confident	74	Confident	196 Å²	196	85.2 Å²	85.2	74%	0.74	42%	0.421	S	S	*	.	H	α-helix	trans	-63.9	-37.8	179.8	-171	172.8	-179.8	158.6	0.4	113.1	A254 L255 H262	A254-R258 WeakPolarHBondContact O-CB 3.45Å; A254-R258 PolarHBondContact O-N 3.34Å; L255-R258 PolarHBondContact O-N 3.39Å; R258-H262 WeakPolarHBondContact O-CB 3.18Å; R258-H262 PolarHBondContact O-N 2.92Å
259	L	77.5	Confident	74.8	Confident	36 Å²	36	83.3 Å²	83.3	19%	0.188	42%	0.418	C	S	.	.	H	α-helix	trans	-64.7	-43.9	174.7	-176.3	68.7	0	0	0	111	L255 K256 R257 H262 I263 F328 Y329 S332	L255-L259 WeakPolarHBondContact O-CB 3.32Å; L255-L259 PolarHBondContact O-N 3.19Å; K256-L259 PolarHBondContact O-N 3.18Å; R257-L259 VanDerWaalsContact C-N 3.34Å; R257-L259 PolarHBondContact O-N 3.31Å; L259-H262 PolarHBondContact O-N 3.27Å; L259-I263 HydrophobicContact CD1-CD1 3.92Å; L259-I263 HydrophobicContact CG-CD1 4.03Å; L259-I263 WeakPolarHBondContact O-CG1 3.26Å; L259-I263 PolarHBondContact O-N 3.17Å; L259-I263 VanDerWaalsContact O-N 3.08Å; L259-F328 HydrophobicContact CD1-CE1 4.11Å; L259-Y329 HydrophobicContact CD2-CD2 4.11Å; L259-Y329 HydrophobicContact CG-CD2 4.12Å; L259-Y329 HydrophobicContact CG-CE2 4.49Å; L259-S332 VanDerWaalsContact CD2-CB 3.46Å
260	H	79.5	Confident	75.4	Confident	92 Å²	92	79.7 Å²	79.7	43%	0.426	40%	0.399	S	S	.	.	H	α-helix	trans	-58.7	-48.2	175.4	-176	76.9	0	0	0	111.7	K256 R257 H262 I263 S264 Y329	K256-H260 WeakPolarHBondContact O-CB 3.32Å; K256-H260 PolarHBondContact O-N 3.16Å; R257-H260 WeakPolarHBondContact O-CB 3.46Å; R257-H260 PolarHBondContact O-N 2.76Å; H260-H262 VanDerWaalsContact C-N 3.33Å; H260-H262 PolarHBondContact O-N 3.4Å; H260-I263 PolarHBondContact O-N 3.5Å; H260-S264 VanDerWaalsContact O-CB 3.32Å; H260-S264 WeakPolarHBondContact O-CB 3.49Å; H260-S264 PolarHBondContact O-N 2.99Å; H260-Y329 HydrophobicContact CB-CE2 3.91Å; H260-Y329 AromaticContact ND1-CE2 3.93Å; H260-Y329 AromaticContact ND1-CZ 3.41Å; H260-Y329 PolarHBondContact ND1-OH 3.46Å
261	D	77.7	Confident	76	Confident	105 Å²	105	76.5 Å²	76.5	56%	0.561	39%	0.389	S	S	*	.	H	α-helix	trans	-60.8	-42.3	179.2	-65.5	-21.9	0	0	0	111.8	R257 N265	R257-D261 VanDerWaalsContact O-CG 3.29Å; R257-D261 PolarHBondContact O-N 2.93Å; D261-N265 WeakPolarHBondContact O-CB 3.49Å; D261-N265 PolarHBondContact O-N 2.96Å
262	H	77.2	Confident	76.4	Confident	119 Å²	119	77.1 Å²	77.1	55%	0.551	39%	0.389	S	S	*	.	H	α-helix	trans	-64	-43.4	179.4	-168.1	61.5	0	0	0	112.1	R258 L259 H260 N265 I266	R258-H262 WeakPolarHBondContact O-CB 3.18Å; R258-H262 PolarHBondContact O-N 2.92Å; L259-H262 PolarHBondContact O-N 3.27Å; H260-H262 VanDerWaalsContact C-N 3.33Å; H260-H262 PolarHBondContact O-N 3.4Å; H262-N265 WeakPolarHBondContact O-CB 3.35Å; H262-N265 PolarHBondContact O-N 2.86Å; H262-I266 WeakPolarHBondContact O-CG1 3.39Å; H262-I266 PolarHBondContact O-N 3.4Å
263	I	79.5	Confident	77	Confident	13 Å²	13	78.5 Å²	78.5	7%	0.067	40%	0.397	C	S	.	.	H	α-helix	trans	-75	-34.9	-177.9	-67.3	175.8	0	0	0	111.4	L259 H260 N265 I266 C267 F328 Y329	L259-I263 HydrophobicContact CD1-CD1 3.92Å; L259-I263 HydrophobicContact CG-CD1 4.03Å; L259-I263 WeakPolarHBondContact O-CG1 3.26Å; L259-I263 PolarHBondContact O-N 3.17Å; L259-I263 VanDerWaalsContact O-N 3.08Å; H260-I263 PolarHBondContact O-N 3.5Å; I263-N265 VanDerWaalsContact C-N 3.3Å; I263-N265 PolarHBondContact O-N 3.41Å; I263-I266 PolarHBondContact O-N 2.78Å; I263-C267 WeakPolarHBondContact O-CB 3.27Å; I263-C267 PolarHBondContact O-N 3.08Å; I263-C267 PolarHBondContact O-SG 2.92Å; I263-F328 HydrophobicContact CD1-CD1 4.07Å; I263-Y329 VanDerWaalsContact CD1-CB 3.41Å; I263-Y329 HydrophobicContact CD1-CD2 3.71Å; I263-Y329 HydrophobicContact CD1-CG 3.95Å
264	S	79.3	Confident	77.2	Confident	67 Å²	67	76.4 Å²	76.4	47%	0.469	39%	0.387	S	S	.	.	H	α-helix	trans	-58.7	-43	170	-174.4	0	0	0	0	111.3	H260 C267 S268	H260-S264 VanDerWaalsContact O-CB 3.32Å; H260-S264 WeakPolarHBondContact O-CB 3.49Å; H260-S264 PolarHBondContact O-N 2.99Å; S264-C267 PolarHBondContact O-N 2.89Å; S264-S268 WeakPolarHBondContact O-CB 3.35Å; S264-S268 PolarHBondContact O-N 2.9Å
265	N	76.5	Confident	77.4	Confident	84 Å²	84	78.2 Å²	78.2	45%	0.449	40%	0.397	S	S	.	.	H	α-helix	trans	-64.5	-44.3	176.1	-168.2	3	0	0	0	112.2	D261 H262 I263 C267 S268 Q269	D261-N265 WeakPolarHBondContact O-CB 3.49Å; D261-N265 PolarHBondContact O-N 2.96Å; H262-N265 WeakPolarHBondContact O-CB 3.35Å; H262-N265 PolarHBondContact O-N 2.86Å; I263-N265 VanDerWaalsContact C-N 3.3Å; I263-N265 PolarHBondContact O-N 3.41Å; N265-C267 PolarHBondContact O-N 3.19Å; N265-S268 PolarHBondContact O-N 3.17Å; N265-Q269 WeakPolarHBondContact O-CG 3.34Å; N265-Q269 PolarHBondContact O-N 3.41Å; N265-Q269 PolarHBondContact OD1-NE2 3.11Å
266	I	78.6	Confident	77.6	Confident	57 Å²	57	79.6 Å²	79.6	29%	0.292	40%	0.402	S	S	.	.	H	α-helix	trans	-58.6	-48.4	174.3	-67.8	167.4	0	0	0	110.6	H262 I263 S268 Q269 V270 A325	H262-I266 WeakPolarHBondContact O-CG1 3.39Å; H262-I266 PolarHBondContact O-N 3.4Å; I263-I266 PolarHBondContact O-N 2.78Å; I266-S268 VanDerWaalsContact C-N 3.29Å; I266-S268 PolarHBondContact O-N 3.49Å; I266-Q269 PolarHBondContact O-N 3.38Å; I266-V270 HydrophobicContact CG2-CG2 4.39Å; I266-V270 WeakPolarHBondContact O-CG2 3.44Å; I266-V270 PolarHBondContact O-N 2.9Å; I266-A325 HydrophobicContact CG2-CB 4.15Å
267	C	77.7	Confident	77.8	Confident	30 Å²	30	77.5 Å²	77.5	20%	0.203	39%	0.394	C	S	.	.	H	α-helix	trans	-59.5	-39.4	178.1	-68.6	0	0	0	0	112.4	I263 S264 N265 S271	I263-C267 WeakPolarHBondContact O-CB 3.27Å; I263-C267 PolarHBondContact O-N 3.08Å; I263-C267 PolarHBondContact O-SG 2.92Å; S264-C267 PolarHBondContact O-N 2.89Å; N265-C267 PolarHBondContact O-N 3.19Å; C267-S271 WeakPolarHBondContact O-CB 3.42Å; C267-S271 PolarHBondContact O-N 2.88Å; C267-S271 PolarHBondContact O-OG 3.19Å
268	S	79.4	Confident	77.8	Confident	61 Å²	61	73.2 Å²	73.2	43%	0.427	38%	0.384	S	S	.	.	H	α-helix	trans	-66.7	-45	177.5	179	0	0	0	0	111.5	S264 N265 I266 S271 N272	S264-S268 WeakPolarHBondContact O-CB 3.35Å; S264-S268 PolarHBondContact O-N 2.9Å; N265-S268 PolarHBondContact O-N 3.17Å; I266-S268 VanDerWaalsContact C-N 3.29Å; I266-S268 PolarHBondContact O-N 3.49Å; S268-S271 PolarHBondContact O-N 3.26Å; S268-N272 VanDerWaalsContact O-CG 3.3Å; S268-N272 PolarHBondContact O-N 2.81Å; S268-N272 PolarHBondContact O-ND2 2.94Å
269	Q	78.2	Confident	77.9	Confident	105 Å²	105	66.3 Å²	66.3	49%	0.491	37%	0.366	S	S	.	.	H	α-helix	trans	-62.4	-44.8	177	-71.1	177.2	21.3	0	0	111.9	N265 I266 S271 N272 I273	N265-Q269 WeakPolarHBondContact O-CG 3.34Å; N265-Q269 PolarHBondContact O-N 3.41Å; N265-Q269 PolarHBondContact OD1-NE2 3.11Å; I266-Q269 PolarHBondContact O-N 3.38Å; Q269-S271 VanDerWaalsContact C-N 3.34Å; Q269-S271 PolarHBondContact O-N 3.19Å; Q269-N272 PolarHBondContact O-N 3.43Å; Q269-I273 WeakPolarHBondContact O-CG1 3.49Å; Q269-I273 PolarHBondContact O-N 3.45Å
270	V	77.6	Confident	77.8	Confident	13 Å²	13	67.5 Å²	67.5	8%	0.079	38%	0.375	C	S	.	.	H	α-helix	trans	-60.8	-43.6	176	174.5	0	0	0	0	111.2	I266 N272 I273 E274 L318 R322	I266-V270 HydrophobicContact CG2-CG2 4.39Å; I266-V270 WeakPolarHBondContact O-CG2 3.44Å; I266-V270 PolarHBondContact O-N 2.9Å; V270-N272 VanDerWaalsContact C-N 3.32Å; V270-N272 PolarHBondContact O-N 2.94Å; V270-I273 PolarHBondContact O-N 2.9Å; V270-E274 WeakPolarHBondContact O-CB 3.27Å; V270-E274 PolarHBondContact O-N 3.35Å; V270-L318 HydrophobicContact CG1-CB 4.12Å; V270-L318 HydrophobicContact CG1-CD2 4.37Å; V270-R322 HydrophobicContact CG1-CB 4.08Å
271	S	79.2	Confident	77.5	Confident	41 Å²	41	64 Å²	64	29%	0.287	36%	0.361	S	S	.	.	H	α-helix	trans	-62.8	-37.5	177.2	-56.1	0	0	0	0	112.4	C267 S268 Q269 E274 S275	C267-S271 WeakPolarHBondContact O-CB 3.42Å; C267-S271 PolarHBondContact O-N 2.88Å; C267-S271 PolarHBondContact O-OG 3.19Å; S268-S271 PolarHBondContact O-N 3.26Å; Q269-S271 VanDerWaalsContact C-N 3.34Å; Q269-S271 PolarHBondContact O-N 3.19Å; S271-E274 PolarHBondContact O-N 2.92Å; S271-S275 WeakPolarHBondContact O-CB 3.42Å; S271-S275 PolarHBondContact O-N 3.31Å
272	N	77.3	Confident	77.5	Confident	97 Å²	97	63 Å²	63	52%	0.519	36%	0.359	S	S	.	.	H	α-helix	trans	-65.3	-45	175.6	-69.8	-19.1	0	0	0	111.4	S268 Q269 V270 E274 S275 M276	S268-N272 VanDerWaalsContact O-CG 3.3Å; S268-N272 PolarHBondContact O-N 2.81Å; S268-N272 PolarHBondContact O-ND2 2.94Å; Q269-N272 PolarHBondContact O-N 3.43Å; V270-N272 VanDerWaalsContact C-N 3.32Å; V270-N272 PolarHBondContact O-N 2.94Å; N272-E274 VanDerWaalsContact C-N 3.34Å; N272-S275 PolarHBondContact O-N 3.25Å; N272-M276 WeakPolarHBondContact O-CG 3.17Å; N272-M276 PolarHBondContact O-N 2.95Å
273	I	77.8	Confident	77.3	Confident	76 Å²	76	63 Å²	63	39%	0.39	36%	0.358	S	S	.	.	H	α-helix	trans	-63.7	-42.2	176.6	-62.4	165.8	0	0	0	110.3	Q269 V270 S275 M276 L277 L318	Q269-I273 WeakPolarHBondContact O-CG1 3.49Å; Q269-I273 PolarHBondContact O-N 3.45Å; V270-I273 PolarHBondContact O-N 2.9Å; I273-S275 VanDerWaalsContact C-N 3.33Å; I273-S275 PolarHBondContact O-N 3.42Å; I273-M276 PolarHBondContact O-N 2.91Å; I273-L277 HydrophobicContact CG2-CD1 3.96Å; I273-L277 HydrophobicContact CG2-CG 4.28Å; I273-L277 WeakPolarHBondContact O-CB 3.36Å; I273-L277 WeakPolarHBondContact O-CG 3.16Å; I273-L277 PolarHBondContact O-N 2.85Å; I273-L318 HydrophobicContact CB-CD1 4.26Å; I273-L318 HydrophobicContact CG2-CD1 3.47Å; I273-L318 VanDerWaalsContact CG2-CD1 3.47Å; I273-L318 HydrophobicContact CG2-CD2 4.31Å
274	E	77.3	Confident	76.8	Confident	53 Å²	53	63.5 Å²	63.5	25%	0.248	36%	0.362	C	S	.	.	H	α-helix	trans	-59.8	-42.3	176.1	-173.7	-177.9	-177.3	0	0	111.7	V270 S271 N272 L277 T278 R322	V270-E274 WeakPolarHBondContact O-CB 3.27Å; V270-E274 PolarHBondContact O-N 3.35Å; S271-E274 PolarHBondContact O-N 2.92Å; N272-E274 VanDerWaalsContact C-N 3.34Å; E274-L277 PolarHBondContact O-N 3.24Å; E274-T278 WeakPolarHBondContact O-CB 3.33Å; E274-T278 PolarHBondContact O-N 3.38Å; E274-T278 PolarHBondContact O-OG1 2.99Å; E274-R322 IonicContact OE2-NH1 3.78Å
275	S	77.5	Confident	76.4	Confident	82 Å²	82	62.4 Å²	62.4	57%	0.573	35%	0.354	S	S	*	.	H	α-helix	trans	-61.7	-46.5	175.1	-179.2	0	0	0	0	111.8	S271 N272 I273 L277 T278 S279	S271-S275 WeakPolarHBondContact O-CB 3.42Å; S271-S275 PolarHBondContact O-N 3.31Å; N272-S275 PolarHBondContact O-N 3.25Å; I273-S275 VanDerWaalsContact C-N 3.33Å; I273-S275 PolarHBondContact O-N 3.42Å; S275-L277 PolarHBondContact O-N 2.8Å; S275-T278 PolarHBondContact O-N 2.92Å; S275-S279 PolarHBondContact O-N 3.49Å
276	M	75.8	Confident	76.1	Confident	129 Å²	129	61 Å²	61	64%	0.635	35%	0.351	S	S	*	.	H	α-helix	trans	-62.3	-41.5	175.7	-67.7	176.8	70	0	0	112.4	N272 I273 T278 S279 V280	N272-M276 WeakPolarHBondContact O-CG 3.17Å; N272-M276 PolarHBondContact O-N 2.95Å; I273-M276 PolarHBondContact O-N 2.91Å; M276-T278 VanDerWaalsContact C-N 3.27Å; M276-T278 PolarHBondContact O-N 2.98Å; M276-S279 PolarHBondContact O-N 3.44Å; M276-S279 PolarHBondContact O-OG 2.99Å; M276-V280 VanDerWaalsContact O-CG2 3.3Å; M276-V280 WeakPolarHBondContact O-CG2 3.44Å; M276-V280 PolarHBondContact O-N 2.85Å
277	L	77.4	Confident	75.4	Confident	25 Å²	25	63.3 Å²	63.3	13%	0.131	36%	0.363	C	S	.	.	H	α-helix	trans	-69.3	-29.8	176.3	-70.4	173.9	0	0	0	112.1	I273 E274 S275 S281 T311 L314 K315 L318	I273-L277 HydrophobicContact CG2-CD1 3.96Å; I273-L277 HydrophobicContact CG2-CG 4.28Å; I273-L277 WeakPolarHBondContact O-CB 3.36Å; I273-L277 WeakPolarHBondContact O-CG 3.16Å; I273-L277 PolarHBondContact O-N 2.85Å; E274-L277 PolarHBondContact O-N 3.24Å; S275-L277 PolarHBondContact O-N 2.8Å; L277-S281 WeakPolarHBondContact O-CB 3.25Å; L277-S281 PolarHBondContact O-N 2.98Å; L277-T311 HydrophobicContact CD2-CG2 4.48Å; L277-L314 HydrophobicContact CD1-CB 4.38Å; L277-L314 HydrophobicContact CD1-CD2 3.62Å; L277-L314 HydrophobicContact CD1-CG 3.81Å; L277-L314 HydrophobicContact CD2-CD2 3.67Å; L277-L314 HydrophobicContact CG-CD2 4.28Å; L277-K315 HydrophobicContact CB-CG 4.22Å; L277-K315 HydrophobicContact CD1-CG 4.29Å; L277-K315 WeakPolarHBondContact O-CE 3.4Å; L277-L318 HydrophobicContact CD1-CD1 3.34Å
278	T	77.6	Confident	74.7	Confident	57 Å²	57	64.2 Å²	64.2	35%	0.35	37%	0.365	S	S	.	.	H	α-helix	trans	-71.6	-41.9	175.3	-56.6	0	0	0	0	110.7	E274 S275 M276 S281 T282	E274-T278 WeakPolarHBondContact O-CB 3.33Å; E274-T278 PolarHBondContact O-N 3.38Å; E274-T278 PolarHBondContact O-OG1 2.99Å; S275-T278 PolarHBondContact O-N 2.92Å; M276-T278 VanDerWaalsContact C-N 3.27Å; M276-T278 PolarHBondContact O-N 2.98Å; T278-S281 PolarHBondContact O-N 3.37Å; T278-T282 WeakPolarHBondContact O-CG2 3.32Å; T278-T282 PolarHBondContact O-N 2.92Å; T278-T282 PolarHBondContact O-OG1 3.17Å; T278-T282 VanDerWaalsContact O-OG1 3.13Å
279	S	77	Confident	74.1	Confident	50 Å²	50	67.1 Å²	67.1	35%	0.35	38%	0.376	S	S	.	.	H	α-helix	trans	-61.8	-47.6	173.9	70.7	0	0	0	0	111.6	S275 M276 S281 T282 E283	S275-S279 PolarHBondContact O-N 3.49Å; M276-S279 PolarHBondContact O-N 3.44Å; M276-S279 PolarHBondContact O-OG 2.99Å; S279-S281 VanDerWaalsContact C-N 3.33Å; S279-S281 PolarHBondContact O-N 3.12Å; S279-T282 WeakPolarHBondContact CA-OG1 3.32Å; S279-T282 PolarHBondContact O-N 3.31Å; S279-T282 VanDerWaalsContact O-N 3.16Å; S279-T282 PolarHBondContact O-OG1 2.72Å; S279-E283 WeakPolarHBondContact O-CG 3.3Å; S279-E283 PolarHBondContact O-N 3.46Å
280	V	75.2	Confident	73.2	Confident	62 Å²	62	68.6 Å²	68.6	38%	0.376	38%	0.382	S	S	.	.	H	α-helix	trans	-60.2	-42.6	175.8	171.8	0	0	0	0	111.4	M276 E283 L284	M276-V280 VanDerWaalsContact O-CG2 3.3Å; M276-V280 WeakPolarHBondContact O-CG2 3.44Å; M276-V280 PolarHBondContact O-N 2.85Å; V280-E283 PolarHBondContact O-N 3.33Å; V280-L284 HydrophobicContact CG1-CD1 3.82Å; V280-L284 WeakPolarHBondContact O-CB 3.31Å; V280-L284 WeakPolarHBondContact O-CG 3.31Å; V280-L284 PolarHBondContact O-N 3.28Å
281	S	74.8	Confident	72	Confident	19 Å²	19	68.7 Å²	68.7	13%	0.133	38%	0.384	C	S	.	.	H	α-helix	trans	-62.6	-41.7	175.9	-176.4	0	0	0	0	111.8	L277 T278 S279 L284 S285 K315	L277-S281 WeakPolarHBondContact O-CB 3.25Å; L277-S281 PolarHBondContact O-N 2.98Å; T278-S281 PolarHBondContact O-N 3.37Å; S279-S281 VanDerWaalsContact C-N 3.33Å; S279-S281 PolarHBondContact O-N 3.12Å; S281-L284 PolarHBondContact O-N 2.92Å; S281-S285 WeakPolarHBondContact O-CB 3.32Å; S281-S285 PolarHBondContact O-N 3.45Å; S281-S285 PolarHBondContact O-OG 3.46Å; S281-K315 PolarHBondContact OG-NZ 3.47Å
282	T	76	Confident	70.8	Confident	84 Å²	84	77.7 Å²	77.7	52%	0.515	41%	0.411	S	S	.	.	H	α-helix	trans	-68.2	-37.2	177.6	50.6	0	0	0	0	112.4	T278 S279 S286	T278-T282 WeakPolarHBondContact O-CG2 3.32Å; T278-T282 PolarHBondContact O-N 2.92Å; T278-T282 PolarHBondContact O-OG1 3.17Å; T278-T282 VanDerWaalsContact O-OG1 3.13Å; S279-T282 WeakPolarHBondContact CA-OG1 3.32Å; S279-T282 PolarHBondContact O-N 3.31Å; S279-T282 VanDerWaalsContact O-N 3.16Å; S279-T282 PolarHBondContact O-OG1 2.72Å; T282-S286 WeakPolarHBondContact O-CB 3.31Å; T282-S286 PolarHBondContact O-N 2.66Å; T282-S286 PolarHBondContact O-OG 3.46Å
283	E	72.9	Confident	69.6	Low	117 Å²	117	77.3 Å²	77.3	55%	0.547	42%	0.417	S	S	.	.	H	α-helix	trans	-66.1	-42	173.1	-73	174	-167.2	0	0	111.4	S279 V280 S286 L287	S279-E283 WeakPolarHBondContact O-CG 3.3Å; S279-E283 PolarHBondContact O-N 3.46Å; V280-E283 PolarHBondContact O-N 3.33Å; E283-S286 PolarHBondContact O-N 3.3Å; E283-S286 PolarHBondContact O-OG 2.9Å; E283-L287 WeakPolarHBondContact O-CB 3.49Å; E283-L287 VanDerWaalsContact O-CG 3.26Å; E283-L287 WeakPolarHBondContact O-CG 3.44Å; E283-L287 PolarHBondContact O-N 3.32Å
284	L	69.9	Low	68.5	Low	25 Å²	25	81.5 Å²	81.5	13%	0.131	43%	0.432	C	S	.	.	H	α-helix	trans	-64	-44.7	174.7	-81.2	162.6	0	0	0	112.3	V280 S281 S286 L287 L288 L307	V280-L284 HydrophobicContact CG1-CD1 3.82Å; V280-L284 WeakPolarHBondContact O-CB 3.31Å; V280-L284 WeakPolarHBondContact O-CG 3.31Å; V280-L284 PolarHBondContact O-N 3.28Å; S281-L284 PolarHBondContact O-N 2.92Å; L284-S286 VanDerWaalsContact C-N 3.29Å; L284-S286 PolarHBondContact O-N 2.97Å; L284-L287 PolarHBondContact O-N 2.89Å; L284-L288 WeakPolarHBondContact O-CB 3.45Å; L284-L288 WeakPolarHBondContact O-CG 3.32Å; L284-L288 PolarHBondContact O-N 2.84Å; L284-L307 HydrophobicContact CD1-CD2 3.69Å; L284-L307 HydrophobicContact CD1-CG 3.73Å; L284-L307 HydrophobicContact CD2-CD2 3.54Å; L284-L307 HydrophobicContact CD2-CG 4.31Å; L284-L307 HydrophobicContact CG-CD2 4.24Å
285	S	70.4	Confident	67.3	Low	43 Å²	43	84.5 Å²	84.5	30%	0.301	46%	0.457	S	S	.	.	H	α-helix	trans	-61.8	-38.6	175.7	-61.7	0	0	0	0	111.5	S281 L288 L289	S281-S285 WeakPolarHBondContact O-CB 3.32Å; S281-S285 PolarHBondContact O-N 3.45Å; S281-S285 PolarHBondContact O-OG 3.46Å; S285-L288 PolarHBondContact O-N 2.82Å; S285-L289 WeakPolarHBondContact O-CB 3.38Å; S285-L289 WeakPolarHBondContact O-CD1 3.35Å; S285-L289 VanDerWaalsContact O-CG 3.31Å; S285-L289 WeakPolarHBondContact O-CG 3.29Å; S285-L289 PolarHBondContact O-N 3.02Å
286	S	70.2	Confident	66.1	Low	56 Å²	56	84 Å²	84	39%	0.392	45%	0.447	S	S	.	.	H	α-helix	trans	-68.7	-39.2	176.9	74.9	0	0	0	0	112.3	T282 E283 L284 L289 Q290	T282-S286 WeakPolarHBondContact O-CB 3.31Å; T282-S286 PolarHBondContact O-N 2.66Å; T282-S286 PolarHBondContact O-OG 3.46Å; E283-S286 PolarHBondContact O-N 3.3Å; E283-S286 PolarHBondContact O-OG 2.9Å; L284-S286 VanDerWaalsContact C-N 3.29Å; L284-S286 PolarHBondContact O-N 2.97Å; S286-L289 PolarHBondContact O-N 3.39Å; S286-Q290 WeakPolarHBondContact O-CB 3.39Å; S286-Q290 PolarHBondContact O-N 3.29Å
287	L	64.2	Low	65.2	Low	104 Å²	104	83.5 Å²	83.5	55%	0.545	45%	0.447	S	S	.	.	H	α-helix	trans	-63.4	-43.9	172.8	-72.5	169.8	0	0	0	112	E283 L284 L289 Q290 S291	E283-L287 WeakPolarHBondContact O-CB 3.49Å; E283-L287 VanDerWaalsContact O-CG 3.26Å; E283-L287 WeakPolarHBondContact O-CG 3.44Å; E283-L287 PolarHBondContact O-N 3.32Å; L284-L287 PolarHBondContact O-N 2.89Å; L287-L289 VanDerWaalsContact C-N 3.34Å; L287-L289 PolarHBondContact O-N 2.76Å; L287-Q290 PolarHBondContact O-N 3.43Å; L287-S291 PolarHBondContact O-N 2.73Å
288	L	64.1	Low	64.4	Low	49 Å²	49	86.2 Å²	86.2	26%	0.257	47%	0.473	S	S	.	.	H	α-helix	trans	-61.9	-40.5	175.2	-80.1	170.6	0	0	0	111.8	L284 S285 S291 A304	L284-L288 WeakPolarHBondContact O-CB 3.45Å; L284-L288 WeakPolarHBondContact O-CG 3.32Å; L284-L288 PolarHBondContact O-N 2.84Å; S285-L288 PolarHBondContact O-N 2.82Å; L288-S291 PolarHBondContact O-N 2.8Å; L288-S291 PolarHBondContact O-OG 3.23Å; L288-A304 HydrophobicContact CD2-CB 3.54Å; L288-A304 HydrophobicContact CG-CB 4.19Å
289	L	66.2	Low	63.5	Low	123 Å²	123	90.1 Å²	90.1	64%	0.644	49%	0.492	S	S	*	.	H	α-helix	trans	-68.3	-39.1	175.5	-77.8	160	0	0	0	112.4	S285 S286 L287 S291	S285-L289 WeakPolarHBondContact O-CB 3.38Å; S285-L289 WeakPolarHBondContact O-CD1 3.35Å; S285-L289 VanDerWaalsContact O-CG 3.31Å; S285-L289 WeakPolarHBondContact O-CG 3.29Å; S285-L289 PolarHBondContact O-N 3.02Å; S286-L289 PolarHBondContact O-N 3.39Å; L287-L289 VanDerWaalsContact C-N 3.34Å; L287-L289 PolarHBondContact O-N 2.76Å; L289-S291 VanDerWaalsContact C-N 3.35Å
290	Q	59.7	Low	62.5	Low	135 Å²	135	91.5 Å²	91.5	63%	0.631	50%	0.495	S	S	*	.	H	α-helix	trans	-69.2	-28.7	175.4	-81.4	-176.2	-9.4	0	0	113	S286 L287 R292 S293	S286-Q290 WeakPolarHBondContact O-CB 3.39Å; S286-Q290 PolarHBondContact O-N 3.29Å; L287-Q290 PolarHBondContact O-N 3.43Å; Q290-R292 PolarHBondContact O-N 2.94Å; Q290-S293 PolarHBondContact O-N 2.96Å; Q290-S293 PolarHBondContact O-OG 2.86Å
291	S	52.7	Low	61.7	Low	16 Å²	16	95.2 Å²	95.2	11%	0.112	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-7.4	177.4	77.5	0	0	0	0	114.9	L287 L288 L289 S293	L287-S291 PolarHBondContact O-N 2.73Å; L288-S291 PolarHBondContact O-N 2.8Å; L288-S291 PolarHBondContact O-OG 3.23Å; L289-S291 VanDerWaalsContact C-N 3.35Å; S291-S293 PolarHBondContact O-N 2.72Å
292	R	52.6	Low	60.9	Low	229 Å²	229	101 Å²	101	86%	0.864	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-17.7	168	-75.1	-171.6	176.9	-171	0.5	113.4	Q290	Q290-R292 PolarHBondContact O-N 2.94Å
293	S	52.7	Low	60.7	Low	90 Å²	90	100.5 Å²	100.5	63%	0.629	53%	0.525	S	S	*	.	S	Bend	trans	-100.2	-14.8	177.2	61.7	0	0	0	0	114.9	Q290 S291	Q290-S293 PolarHBondContact O-N 2.96Å; Q290-S293 PolarHBondContact O-OG 2.86Å; S291-S293 PolarHBondContact O-N 2.72Å
294	F	53.7	Low	60.5	Low	163 Å²	163	95.7 Å²	95.7	72%	0.715	51%	0.506	S	S	*	.	S	Bend	trans	-134.1	126	174.9	-80.1	-88.5	0	0	0	110.7	L296	F294-L296 PolarHBondContact O-N 3.47Å
295	P	52.9	Low	60.6	Low	117 Å²	117	97.2 Å²	97.2	76%	0.76	52%	0.519	S	S	*	.			trans	-68.9	97.4	-178.8	28.2	-31.6	0	0	0	109.8
296	L	51.9	Low	60.7	Low	72 Å²	72	97.9 Å²	97.9	38%	0.377	52%	0.519	S	S	.	.			trans	-59.6	137	158.4	-74.5	174.2	0	0	0	108.4	F294 D300 R301	F294-L296 PolarHBondContact O-N 3.47Å; L296-D300 HydrophobicContact CB-CB 3.98Å; L296-D300 HydrophobicContact CD2-CB 4.16Å; L296-D300 HydrophobicContact CG-CB 4.5Å; L296-R301 HydrophobicContact CB-CG 4.4Å
297	N	57.8	Low	61	Low	117 Å²	117	98.9 Å²	98.9	63%	0.626	52%	0.519	S	S	*	.			trans	-58.5	153.7	176.7	-83.8	-37.9	0	0	0	110	D299 D300 R301	N297-D299 PolarHBondContact O-N 3.06Å; N297-D299 VanDerWaalsContact O-N 3.1Å; N297-D300 PolarHBondContact N-OD2 3.26Å; N297-D300 WeakPolarHBondContact O-CB 3.16Å; N297-D300 PolarHBondContact O-N 3.33Å; N297-R301 PolarHBondContact O-N 3.14Å
298	A	60.1	Low	61.6	Low	83 Å²	83	97.9 Å²	97.9	69%	0.686	51%	0.512	S	S	*	.	H	α-helix	trans	-54.2	-33.2	-178.2	0	0	0	0	0	112.6	F302	A298-F302 PolarHBondContact O-N 2.91Å
299	D	58.8	Low	62.2	Low	139 Å²	139	104.4 Å²	104.4	74%	0.743	53%	0.533	S	S	*	.	H	α-helix	trans	-65.7	-37	175.1	-66.6	-30.5	0	0	0	113	N297 F302 S303	N297-D299 PolarHBondContact O-N 3.06Å; N297-D299 VanDerWaalsContact O-N 3.1Å; D299-F302 PolarHBondContact O-N 3.04Å; D299-S303 PolarHBondContact O-N 3.16Å
300	D	56.9	Low	62.7	Low	79 Å²	79	107.2 Å²	107.2	42%	0.422	54%	0.535	S	S	.	.	H	α-helix	trans	-71.6	-34.8	-179.8	-68.3	-39	0	0	0	112.3	L296 N297 S303 A304	L296-D300 HydrophobicContact CB-CB 3.98Å; L296-D300 HydrophobicContact CD2-CB 4.16Å; L296-D300 HydrophobicContact CG-CB 4.5Å; N297-D300 PolarHBondContact N-OD2 3.26Å; N297-D300 WeakPolarHBondContact O-CB 3.16Å; N297-D300 PolarHBondContact O-N 3.33Å; D300-S303 PolarHBondContact O-N 3.31Å; D300-A304 PolarHBondContact O-N 2.83Å
301	R	57	Low	63.6	Low	140 Å²	140	101.2 Å²	101.2	53%	0.528	51%	0.508	S	S	.	.	H	α-helix	trans	-65.4	-39.6	175.8	-72.8	-169.4	-175	-162.9	0	112	L296 N297 A304 S305	L296-R301 HydrophobicContact CB-CG 4.4Å; N297-R301 PolarHBondContact O-N 3.14Å; R301-A304 PolarHBondContact O-N 3.34Å; R301-S305 PolarHBondContact O-N 3.13Å; R301-S305 PolarHBondContact O-OG 3.33Å
302	F	59.2	Low	64.9	Low	140 Å²	140	103.6 Å²	103.6	61%	0.614	52%	0.521	S	S	*	.	H	α-helix	trans	-64.9	-44.7	177.5	-151.2	-87.3	0	0	0	110.4	A298 D299 A304 S305 D306	A298-F302 PolarHBondContact O-N 2.91Å; D299-F302 PolarHBondContact O-N 3.04Å; F302-A304 PolarHBondContact O-N 3.48Å; F302-S305 PolarHBondContact O-N 3.29Å; F302-S305 PolarHBondContact O-OG 3.16Å; F302-D306 VanDerWaalsContact CD1-OD2 3.29Å; F302-D306 WeakPolarHBondContact CD1-OD2 3.45Å; F302-D306 WeakPolarHBondContact CE1-OD2 3.47Å; F302-D306 WeakPolarHBondContact O-CB 3.47Å; F302-D306 PolarHBondContact O-N 3.34Å
303	S	70.9	Confident	65.9	Low	73 Å²	73	95.9 Å²	95.9	51%	0.51	50%	0.503	S	S	.	.	H	α-helix	trans	-57.9	-43	175.2	178	0	0	0	0	113.1	D299 D300 D306 L307	D299-S303 PolarHBondContact O-N 3.16Å; D300-S303 PolarHBondContact O-N 3.31Å; S303-D306 PolarHBondContact O-N 2.77Å; S303-L307 WeakPolarHBondContact O-CB 3.48Å; S303-L307 PolarHBondContact O-N 3.04Å
304	A	67.8	Low	67.1	Low	17 Å²	17	95.8 Å²	95.8	14%	0.14	50%	0.495	C	S	.	.	H	α-helix	trans	-68.5	-41.5	-179.5	0	0	0	0	0	112.8	L288 D300 R301 F302 L307 E308	L288-A304 HydrophobicContact CD2-CB 3.54Å; L288-A304 HydrophobicContact CG-CB 4.19Å; D300-A304 PolarHBondContact O-N 2.83Å; R301-A304 PolarHBondContact O-N 3.34Å; F302-A304 PolarHBondContact O-N 3.48Å; A304-L307 PolarHBondContact O-N 3.08Å; A304-E308 PolarHBondContact O-N 2.68Å
305	S	72.1	Confident	68.3	Low	57 Å²	57	90 Å²	90	40%	0.399	47%	0.469	S	S	.	.	H	α-helix	trans	-66.1	-37.2	174.2	58.2	0	0	0	0	112.8	R301 F302 L307 E308 R309	R301-S305 PolarHBondContact O-N 3.13Å; R301-S305 PolarHBondContact O-OG 3.33Å; F302-S305 PolarHBondContact O-N 3.29Å; F302-S305 PolarHBondContact O-OG 3.16Å; S305-L307 VanDerWaalsContact C-N 3.34Å; S305-E308 PolarHBondContact O-N 3.19Å; S305-R309 WeakPolarHBondContact O-CB 3.23Å; S305-R309 PolarHBondContact O-N 3.3Å
306	D	73	Confident	69.5	Low	57 Å²	57	89.7 Å²	89.7	31%	0.305	46%	0.461	S	S	.	.	H	α-helix	trans	-65.9	-39.2	175.2	-81.1	-22.8	0	0	0	111.3	F302 S303 R309 R310	F302-D306 VanDerWaalsContact CD1-OD2 3.29Å; F302-D306 WeakPolarHBondContact CD1-OD2 3.45Å; F302-D306 WeakPolarHBondContact CE1-OD2 3.47Å; F302-D306 WeakPolarHBondContact O-CB 3.47Å; F302-D306 PolarHBondContact O-N 3.34Å; S303-D306 PolarHBondContact O-N 2.77Å; D306-R309 PolarHBondContact O-N 3.47Å; D306-R310 WeakPolarHBondContact O-CB 3.41Å; D306-R310 VanDerWaalsContact O-CG 3.27Å; D306-R310 WeakPolarHBondContact O-CG 3.48Å; D306-R310 PolarHBondContact O-N 3.11Å
307	L	75.9	Confident	70.5	Confident	76 Å²	76	88.1 Å²	88.1	40%	0.398	46%	0.458	S	S	.	.	H	α-helix	trans	-66.7	-40.7	175.9	-174.9	58.1	0	0	0	112.1	L284 S303 A304 S305 R310 T311	L284-L307 HydrophobicContact CD1-CD2 3.69Å; L284-L307 HydrophobicContact CD1-CG 3.73Å; L284-L307 HydrophobicContact CD2-CD2 3.54Å; L284-L307 HydrophobicContact CD2-CG 4.31Å; L284-L307 HydrophobicContact CG-CD2 4.24Å; S303-L307 WeakPolarHBondContact O-CB 3.48Å; S303-L307 PolarHBondContact O-N 3.04Å; A304-L307 PolarHBondContact O-N 3.08Å; S305-L307 VanDerWaalsContact C-N 3.34Å; L307-R310 PolarHBondContact O-N 3.35Å; L307-T311 WeakPolarHBondContact O-CB 3.38Å; L307-T311 PolarHBondContact O-N 3.37Å; L307-T311 PolarHBondContact O-OG1 2.96Å
308	E	77.7	Confident	71.6	Confident	83 Å²	83	83.6 Å²	83.6	39%	0.388	43%	0.434	S	S	.	.	H	α-helix	trans	-62.4	-43.7	173.5	-175.2	176	-165.6	0	0	111.6	A304 S305 T311 T312	A304-E308 PolarHBondContact O-N 2.68Å; S305-E308 PolarHBondContact O-N 3.19Å; E308-T311 PolarHBondContact O-N 3.5Å; E308-T312 WeakPolarHBondContact O-CB 3.5Å; E308-T312 PolarHBondContact O-N 2.95Å; E308-T312 PolarHBondContact O-OG1 3.28Å
309	R	76.9	Confident	72.5	Confident	186 Å²	186	82.7 Å²	82.7	70%	0.702	42%	0.417	S	S	*	.	H	α-helix	trans	-61.7	-46.6	175.7	-172.9	178.6	177.9	173	0.7	111.5	S305 D306 T312 S313	S305-R309 WeakPolarHBondContact O-CB 3.23Å; S305-R309 PolarHBondContact O-N 3.3Å; D306-R309 PolarHBondContact O-N 3.47Å; R309-T312 PolarHBondContact O-N 3.02Å; R309-S313 PolarHBondContact O-N 2.83Å; R309-S313 PolarHBondContact O-OG 3.24Å
310	R	76.5	Confident	73.3	Confident	183 Å²	183	82 Å²	82	69%	0.691	41%	0.409	S	S	*	.	H	α-helix	trans	-62.7	-41.4	176.7	-73.4	175	-173.8	-165.5	4.1	112	D306 L307 S313 L314	D306-R310 WeakPolarHBondContact O-CB 3.41Å; D306-R310 VanDerWaalsContact O-CG 3.27Å; D306-R310 WeakPolarHBondContact O-CG 3.48Å; D306-R310 PolarHBondContact O-N 3.11Å; L307-R310 PolarHBondContact O-N 3.35Å; R310-S313 PolarHBondContact O-N 3.21Å; R310-L314 WeakPolarHBondContact O-CB 3.24Å; R310-L314 PolarHBondContact O-N 3.01Å
311	T	79.2	Confident	74.3	Confident	9 Å²	9	84 Å²	84	6%	0.055	42%	0.416	C	S	.	.	H	α-helix	trans	-62.8	-43.3	176.6	-57.5	0	0	0	0	111.1	L277 L307 E308 L314 K315	L277-T311 HydrophobicContact CD2-CG2 4.48Å; L307-T311 WeakPolarHBondContact O-CB 3.38Å; L307-T311 PolarHBondContact O-N 3.37Å; L307-T311 PolarHBondContact O-OG1 2.96Å; E308-T311 PolarHBondContact O-N 3.5Å; T311-L314 PolarHBondContact O-N 3.23Å; T311-K315 WeakPolarHBondContact O-CG 3.33Å; T311-K315 PolarHBondContact O-N 3.32Å
312	T	79.2	Confident	75.4	Confident	65 Å²	65	81.9 Å²	81.9	40%	0.399	41%	0.408	S	S	.	.	H	α-helix	trans	-66	-44.2	177	-54.1	0	0	0	0	111.8	E308 R309 L314 K315 L316	E308-T312 WeakPolarHBondContact O-CB 3.5Å; E308-T312 PolarHBondContact O-N 2.95Å; E308-T312 PolarHBondContact O-OG1 3.28Å; R309-T312 PolarHBondContact O-N 3.02Å; T312-L314 VanDerWaalsContact C-N 3.3Å; T312-L314 PolarHBondContact O-N 3.01Å; T312-K315 PolarHBondContact O-N 2.83Å; T312-L316 WeakPolarHBondContact O-CG 3.28Å; T312-L316 PolarHBondContact O-N 2.8Å
313	S	73.6	Confident	76.4	Confident	68 Å²	68	79.6 Å²	79.6	48%	0.476	40%	0.402	S	S	.	.	H	α-helix	trans	-59.8	-40.4	174.4	-66.7	0	0	0	0	112.2	R309 R310 L316 A317	R309-S313 PolarHBondContact O-N 2.83Å; R309-S313 PolarHBondContact O-OG 3.24Å; R310-S313 PolarHBondContact O-N 3.21Å; S313-L316 PolarHBondContact O-N 3.26Å; S313-A317 PolarHBondContact O-N 2.93Å
314	L	77.8	Confident	76.6	Confident	87 Å²	87	79.8 Å²	79.8	46%	0.455	40%	0.398	S	S	.	.	H	α-helix	trans	-66.8	-40.6	176.6	-171.9	66.6	0	0	0	112.1	L277 R310 T311 T312 L316 A317 L318	L277-L314 HydrophobicContact CD1-CB 4.38Å; L277-L314 HydrophobicContact CD1-CD2 3.62Å; L277-L314 HydrophobicContact CD1-CG 3.81Å; L277-L314 HydrophobicContact CD2-CD2 3.67Å; L277-L314 HydrophobicContact CG-CD2 4.28Å; R310-L314 WeakPolarHBondContact O-CB 3.24Å; R310-L314 PolarHBondContact O-N 3.01Å; T311-L314 PolarHBondContact O-N 3.23Å; T312-L314 VanDerWaalsContact C-N 3.3Å; T312-L314 PolarHBondContact O-N 3.01Å; L314-L316 PolarHBondContact O-N 3.13Å; L314-A317 PolarHBondContact O-N 3.37Å; L314-L318 HydrophobicContact CG-CD1 4.3Å; L314-L318 WeakPolarHBondContact O-CG 3.41Å; L314-L318 PolarHBondContact O-N 3.05Å
315	K	79.6	Confident	77	Confident	41 Å²	41	79.7 Å²	79.7	18%	0.178	40%	0.397	C	S	.	.	H	α-helix	trans	-59.1	-45.2	173.4	-75.6	179.2	178.9	179.1	0	111.9	L277 S281 T311 T312 L318 L319	L277-K315 HydrophobicContact CB-CG 4.22Å; L277-K315 HydrophobicContact CD1-CG 4.29Å; L277-K315 WeakPolarHBondContact O-CE 3.4Å; S281-K315 PolarHBondContact OG-NZ 3.47Å; T311-K315 WeakPolarHBondContact O-CG 3.33Å; T311-K315 PolarHBondContact O-N 3.32Å; T312-K315 PolarHBondContact O-N 2.83Å; K315-L318 PolarHBondContact O-N 3.04Å; K315-L319 WeakPolarHBondContact O-CG 3.4Å; K315-L319 PolarHBondContact O-N 3.22Å
316	L	77.2	Confident	77.4	Confident	111 Å²	111	82.7 Å²	82.7	58%	0.581	40%	0.402	S	S	*	.	H	α-helix	trans	-63.3	-43.2	177.8	-70.6	173.8	0	0	0	112	T312 S313 L314 L318 L319 E320	T312-L316 WeakPolarHBondContact O-CG 3.28Å; T312-L316 PolarHBondContact O-N 2.8Å; S313-L316 PolarHBondContact O-N 3.26Å; L314-L316 PolarHBondContact O-N 3.13Å; L316-L318 VanDerWaalsContact C-N 3.33Å; L316-L318 PolarHBondContact O-N 3.42Å; L316-L319 PolarHBondContact O-N 3.44Å; L316-E320 WeakPolarHBondContact O-CB 3.41Å; L316-E320 PolarHBondContact O-N 2.81Å
317	A	73.6	Confident	77.5	Confident	39 Å²	39	86 Å²	86	32%	0.322	42%	0.416	S	S	.	.	H	α-helix	trans	-63.7	-36.9	176.6	0	0	0	0	0	112.7	S313 L314 E320 H321	S313-A317 PolarHBondContact O-N 2.93Å; L314-A317 PolarHBondContact O-N 3.37Å; A317-E320 PolarHBondContact O-N 3.23Å; A317-H321 PolarHBondContact O-CD2 3.27Å; A317-H321 PolarHBondContact O-N 3.32Å
318	L	80.6	Confident	77.5	Confident	23 Å²	23	88.3 Å²	88.3	12%	0.12	42%	0.423	C	S	.	.	H	α-helix	trans	-68.6	-39.7	175.2	-75	167.5	0	0	0	112.5	V270 I273 L277 L314 K315 L316 H321 R322	V270-L318 HydrophobicContact CG1-CB 4.12Å; V270-L318 HydrophobicContact CG1-CD2 4.37Å; I273-L318 HydrophobicContact CB-CD1 4.26Å; I273-L318 HydrophobicContact CG2-CD1 3.47Å; I273-L318 VanDerWaalsContact CG2-CD1 3.47Å; I273-L318 HydrophobicContact CG2-CD2 4.31Å; L277-L318 HydrophobicContact CD1-CD1 3.34Å; L314-L318 HydrophobicContact CG-CD1 4.3Å; L314-L318 WeakPolarHBondContact O-CG 3.41Å; L314-L318 PolarHBondContact O-N 3.05Å; K315-L318 PolarHBondContact O-N 3.04Å; L316-L318 VanDerWaalsContact C-N 3.33Å; L316-L318 PolarHBondContact O-N 3.42Å; L318-H321 PolarHBondContact O-N 3.28Å; L318-R322 WeakPolarHBondContact O-CB 3.46Å; L318-R322 PolarHBondContact O-N 3.49Å
319	L	79.8	Confident	77.6	Confident	64 Å²	64	86.9 Å²	86.9	34%	0.335	42%	0.415	S	S	.	.	H	α-helix	trans	-64	-41.7	174	-73.5	171.3	0	0	0	111.6	K315 L316 R322 N323	K315-L319 WeakPolarHBondContact O-CG 3.4Å; K315-L319 PolarHBondContact O-N 3.22Å; L316-L319 PolarHBondContact O-N 3.44Å; L319-R322 PolarHBondContact O-N 2.87Å; L319-N323 PolarHBondContact O-N 2.95Å; L319-N323 PolarHBondContact O-ND2 3.01Å
320	E	75.3	Confident	77.7	Confident	124 Å²	124	82.8 Å²	82.8	58%	0.579	40%	0.404	S	S	*	.	H	α-helix	trans	-60.1	-50.8	173.9	-171.3	173.2	-167	0	0	110.8	L316 A317 R322 N323 D324	L316-E320 WeakPolarHBondContact O-CB 3.41Å; L316-E320 PolarHBondContact O-N 2.81Å; A317-E320 PolarHBondContact O-N 3.23Å; E320-R322 VanDerWaalsContact C-N 3.29Å; E320-R322 PolarHBondContact O-N 3.03Å; E320-N323 PolarHBondContact O-N 2.87Å; E320-D324 PolarHBondContact O-N 2.83Å
321	H	78.4	Confident	77.5	Confident	122 Å²	122	76.8 Å²	76.8	57%	0.565	39%	0.393	S	S	*	.	H	α-helix	trans	-59	-36.2	175.8	-85.2	-48.8	0	0	0	114.1	A317 L318 A325	A317-H321 PolarHBondContact O-CD2 3.27Å; A317-H321 PolarHBondContact O-N 3.32Å; L318-H321 PolarHBondContact O-N 3.28Å; H321-A325 WeakPolarHBondContact O-CB 3.5Å; H321-A325 PolarHBondContact O-N 3.48Å
322	R	79.9	Confident	77.4	Confident	94 Å²	94	77.6 Å²	77.6	36%	0.355	40%	0.399	S	S	.	.	H	α-helix	trans	-65.1	-42.5	174.8	-176.8	179.1	178.6	174.8	0.6	111.5	V270 E274 L318 L319 E320 K326	V270-R322 HydrophobicContact CG1-CB 4.08Å; E274-R322 IonicContact OE2-NH1 3.78Å; L318-R322 WeakPolarHBondContact O-CB 3.46Å; L318-R322 PolarHBondContact O-N 3.49Å; L319-R322 PolarHBondContact O-N 2.87Å; E320-R322 VanDerWaalsContact C-N 3.29Å; E320-R322 PolarHBondContact O-N 3.03Å; R322-K326 PolarHBondContact O-N 3.09Å; R322-K326 VanDerWaalsContact O-N 3.15Å
323	N	78.9	Confident	77.3	Confident	92 Å²	92	75.4 Å²	75.4	49%	0.492	39%	0.385	S	S	.	.	H	α-helix	trans	-66.3	-46	177.5	-70.4	-21.2	0	0	0	110.6	L319 E320 A325 K326 E327	L319-N323 PolarHBondContact O-N 2.95Å; L319-N323 PolarHBondContact O-ND2 3.01Å; E320-N323 PolarHBondContact O-N 2.87Å; N323-A325 VanDerWaalsContact C-N 3.32Å; N323-A325 PolarHBondContact O-N 2.99Å; N323-K326 WeakPolarHBondContact O-CB 3.38Å; N323-K326 PolarHBondContact O-N 3.21Å; N323-E327 PolarHBondContact O-N 3.31Å
324	D	74.8	Confident	77.3	Confident	78 Å²	78	78.8 Å²	78.8	42%	0.417	39%	0.394	S	S	.	.	H	α-helix	trans	-56.8	-44	176.1	-68.8	-14	0	0	0	112	E320 K326 E327 F328	E320-D324 PolarHBondContact O-N 2.83Å; D324-K326 VanDerWaalsContact C-N 3.3Å; D324-K326 PolarHBondContact O-N 3.32Å; D324-E327 PolarHBondContact O-N 3.19Å; D324-F328 VanDerWaalsContact O-CB 3.3Å; D324-F328 WeakPolarHBondContact O-CB 3.43Å; D324-F328 PolarHBondContact O-N 3.42Å
325	A	77.4	Confident	76.9	Confident	14 Å²	14	77 Å²	77	12%	0.116	39%	0.392	C	S	.	.	H	α-helix	trans	-63.7	-36.7	177.7	0	0	0	0	0	112.2	I266 H321 N323 Y329	I266-A325 HydrophobicContact CG2-CB 4.15Å; H321-A325 WeakPolarHBondContact O-CB 3.5Å; H321-A325 PolarHBondContact O-N 3.48Å; N323-A325 VanDerWaalsContact C-N 3.32Å; N323-A325 PolarHBondContact O-N 2.99Å; A325-Y329 PolarHBondContact O-N 3.41Å; A325-Y329 VanDerWaalsContact O-N 3.13Å
326	K	80	Confident	76.7	Confident	120 Å²	120	76.9 Å²	76.9	52%	0.522	39%	0.393	S	S	.	.	H	α-helix	trans	-71.4	-44.9	177.1	-170.1	-175	175.7	-159.1	0	111.5	R322 N323 D324 F328 Y329 E330	R322-K326 PolarHBondContact O-N 3.09Å; R322-K326 VanDerWaalsContact O-N 3.15Å; N323-K326 WeakPolarHBondContact O-CB 3.38Å; N323-K326 PolarHBondContact O-N 3.21Å; D324-K326 VanDerWaalsContact C-N 3.3Å; D324-K326 PolarHBondContact O-N 3.32Å; K326-F328 VanDerWaalsContact C-N 3.32Å; K326-F328 PolarHBondContact O-N 3.09Å; K326-Y329 WeakPolarHBondContact O-CB 3.29Å; K326-Y329 PolarHBondContact O-N 3.3Å; K326-E330 WeakPolarHBondContact CE-OE1 3.5Å; K326-E330 IonicContact NZ-OE1 3.87Å; K326-E330 WeakPolarHBondContact O-CG 3.41Å; K326-E330 PolarHBondContact O-N 3.07Å
327	E	75.2	Confident	76.7	Confident	126 Å²	126	76.9 Å²	76.9	59%	0.589	39%	0.39	S	S	*	.	H	α-helix	trans	-61.4	-42.1	175.5	-72.5	-174.8	-176.8	0	0	111.3	N323 D324 Y329 E330 A331	N323-E327 PolarHBondContact O-N 3.31Å; D324-E327 PolarHBondContact O-N 3.19Å; E327-Y329 VanDerWaalsContact C-N 3.31Å; E327-Y329 PolarHBondContact O-N 3.27Å; E327-E330 PolarHBondContact O-N 2.68Å; E327-A331 WeakPolarHBondContact O-CB 3.28Å; E327-A331 PolarHBondContact O-N 2.86Å
328	F	76.2	Confident	76.6	Confident	125 Å²	125	81.3 Å²	81.3	55%	0.548	40%	0.402	S	S	.	.	H	α-helix	trans	-60.3	-40	174.7	179.4	-101.7	0	0	0	112.4	L259 I263 D324 K326 S332	L259-F328 HydrophobicContact CD1-CE1 4.11Å; I263-F328 HydrophobicContact CD1-CD1 4.07Å; D324-F328 VanDerWaalsContact O-CB 3.3Å; D324-F328 WeakPolarHBondContact O-CB 3.43Å; D324-F328 PolarHBondContact O-N 3.42Å; K326-F328 VanDerWaalsContact C-N 3.32Å; K326-F328 PolarHBondContact O-N 3.09Å; F328-S332 WeakPolarHBondContact O-CB 3.42Å; F328-S332 PolarHBondContact O-N 3.36Å; F328-S332 PolarHBondContact O-OG 2.91Å
329	Y	79.5	Confident	76.1	Confident	53 Å²	53	85 Å²	85	21%	0.208	42%	0.421	C	S	.	.	H	α-helix	trans	-62.5	-47.6	174.9	-179.3	-116.1	0	0	0	112.3	L259 H260 I263 A325 K326 E327 S332 T333	L259-Y329 HydrophobicContact CD2-CD2 4.11Å; L259-Y329 HydrophobicContact CG-CD2 4.12Å; L259-Y329 HydrophobicContact CG-CE2 4.49Å; H260-Y329 HydrophobicContact CB-CE2 3.91Å; H260-Y329 AromaticContact ND1-CE2 3.93Å; H260-Y329 AromaticContact ND1-CZ 3.41Å; H260-Y329 PolarHBondContact ND1-OH 3.46Å; I263-Y329 VanDerWaalsContact CD1-CB 3.41Å; I263-Y329 HydrophobicContact CD1-CD2 3.71Å; I263-Y329 HydrophobicContact CD1-CG 3.95Å; A325-Y329 PolarHBondContact O-N 3.41Å; A325-Y329 VanDerWaalsContact O-N 3.13Å; K326-Y329 WeakPolarHBondContact O-CB 3.29Å; K326-Y329 PolarHBondContact O-N 3.3Å; E327-Y329 VanDerWaalsContact C-N 3.31Å; E327-Y329 PolarHBondContact O-N 3.27Å; Y329-S332 PolarHBondContact O-N 2.85Å; Y329-T333 VanDerWaalsContact O-CB 3.28Å; Y329-T333 WeakPolarHBondContact O-CB 3.41Å; Y329-T333 PolarHBondContact O-N 2.78Å; Y329-T333 PolarHBondContact O-OG1 3.37Å
330	E	80	Confident	75.9	Confident	101 Å²	101	83.6 Å²	83.6	47%	0.472	42%	0.415	S	S	.	.	H	α-helix	trans	-62.6	-50	-178.1	-72.6	174.2	-176.1	0	0	110.1	K326 E327 S332 T333 E334	K326-E330 WeakPolarHBondContact CE-OE1 3.5Å; K326-E330 IonicContact NZ-OE1 3.87Å; K326-E330 WeakPolarHBondContact O-CG 3.41Å; K326-E330 PolarHBondContact O-N 3.07Å; E327-E330 PolarHBondContact O-N 2.68Å; E330-S332 PolarHBondContact O-N 3.03Å; E330-T333 PolarHBondContact O-N 2.93Å; E330-T333 VanDerWaalsContact O-N 3.17Å; E330-E334 WeakPolarHBondContact O-CB 3.48Å; E330-E334 PolarHBondContact O-N 2.9Å
331	A	72.3	Confident	75.8	Confident	56 Å²	56	79 Å²	79	46%	0.463	40%	0.402	S	S	.	.	H	α-helix	trans	-59.9	-42.9	176.9	0	0	0	0	0	112.6	E327 A335	E327-A331 WeakPolarHBondContact O-CB 3.28Å; E327-A331 PolarHBondContact O-N 2.86Å; A331-A335 WeakPolarHBondContact O-CB 3.34Å; A331-A335 PolarHBondContact O-N 2.85Å
332	S	75.4	Confident	75.4	Confident	26 Å²	26	75.3 Å²	75.3	18%	0.182	39%	0.388	C	S	.	.	H	α-helix	trans	-66.3	-38.2	177.1	-62.9	0	0	0	0	112.1	L259 F328 Y329 E330 A335 L336	L259-S332 VanDerWaalsContact CD2-CB 3.46Å; F328-S332 WeakPolarHBondContact O-CB 3.42Å; F328-S332 PolarHBondContact O-N 3.36Å; F328-S332 PolarHBondContact O-OG 2.91Å; Y329-S332 PolarHBondContact O-N 2.85Å; E330-S332 PolarHBondContact O-N 3.03Å; S332-A335 PolarHBondContact O-N 3.49Å; S332-L336 WeakPolarHBondContact O-CB 3.31Å; S332-L336 VanDerWaalsContact O-CG 3.27Å; S332-L336 WeakPolarHBondContact O-CG 3.42Å; S332-L336 PolarHBondContact O-N 3.11Å
333	T	77.8	Confident	75.1	Confident	19 Å²	19	74.2 Å²	74.2	12%	0.117	38%	0.384	C	S	.	.	H	α-helix	trans	-68.5	-42.7	178.9	-62.3	0	0	0	0	111.4	Y329 E330 L336 Q337	Y329-T333 VanDerWaalsContact O-CB 3.28Å; Y329-T333 WeakPolarHBondContact O-CB 3.41Å; Y329-T333 PolarHBondContact O-N 2.78Å; Y329-T333 PolarHBondContact O-OG1 3.37Å; E330-T333 PolarHBondContact O-N 2.93Å; E330-T333 VanDerWaalsContact O-N 3.17Å; T333-L336 PolarHBondContact O-N 2.93Å; T333-Q337 WeakPolarHBondContact O-CB 3.34Å; T333-Q337 WeakPolarHBondContact O-CG 3.38Å; T333-Q337 PolarHBondContact O-N 2.96Å
334	E	73.9	Confident	74.8	Confident	139 Å²	139	71.9 Å²	71.9	65%	0.65	38%	0.378	S	S	*	.	H	α-helix	trans	-62	-45.6	174.8	-172.3	-179.7	-176.6	0	0	110.8	E330 L336 Q337 F338	E330-E334 WeakPolarHBondContact O-CB 3.48Å; E330-E334 PolarHBondContact O-N 2.9Å; E334-L336 PolarHBondContact O-N 3.2Å; E334-Q337 PolarHBondContact O-N 3.16Å; E334-F338 WeakPolarHBondContact O-CB 3.15Å; E334-F338 PolarHBondContact O-N 2.87Å
335	A	69	Low	74.6	Confident	50 Å²	50	74.4 Å²	74.4	41%	0.413	38%	0.381	S	S	.	.	H	α-helix	trans	-59.4	-43.9	175.5	0	0	0	0	0	112.2	A331 S332 F338 L339	A331-A335 WeakPolarHBondContact O-CB 3.34Å; A331-A335 PolarHBondContact O-N 2.85Å; S332-A335 PolarHBondContact O-N 3.49Å; A335-F338 PolarHBondContact O-N 2.85Å; A335-L339 WeakPolarHBondContact O-CB 3.4Å; A335-L339 VanDerWaalsContact O-CG 3.26Å; A335-L339 WeakPolarHBondContact O-CG 3.29Å; A335-L339 PolarHBondContact O-N 2.92Å
336	L	75.8	Confident	74.1	Confident	39 Å²	39	79 Å²	79	20%	0.204	40%	0.399	C	S	.	.	H	α-helix	trans	-66.1	-38.4	176.7	-73.7	171.8	0	0	0	112.6	I252 K256 S332 T333 E334 L339 T340	I252-L336 HydrophobicContact CG2-CD2 4.21Å; K256-L336 HydrophobicContact CB-CD1 4.34Å; S332-L336 WeakPolarHBondContact O-CB 3.31Å; S332-L336 VanDerWaalsContact O-CG 3.27Å; S332-L336 WeakPolarHBondContact O-CG 3.42Å; S332-L336 PolarHBondContact O-N 3.11Å; T333-L336 PolarHBondContact O-N 2.93Å; E334-L336 PolarHBondContact O-N 3.2Å; L336-L339 PolarHBondContact O-N 3.44Å; L336-T340 WeakPolarHBondContact O-CG2 3.5Å; L336-T340 PolarHBondContact O-N 2.95Å; L336-T340 PolarHBondContact O-OG1 3.42Å
337	Q	76.2	Confident	73.5	Confident	110 Å²	110	75.4 Å²	75.4	51%	0.514	39%	0.385	S	S	.	.	H	α-helix	trans	-66	-41.5	174.3	-79.3	176.9	-25.7	0	0	111.7	T333 E334 T340 G341	T333-Q337 WeakPolarHBondContact O-CB 3.34Å; T333-Q337 WeakPolarHBondContact O-CG 3.38Å; T333-Q337 PolarHBondContact O-N 2.96Å; E334-Q337 PolarHBondContact O-N 3.16Å; Q337-T340 WeakPolarHBondContact CA-OG1 3.41Å; Q337-T340 PolarHBondContact O-N 3.39Å; Q337-T340 PolarHBondContact O-OG1 2.93Å; Q337-G341 PolarHBondContact O-N 3.2Å
338	F	72.5	Confident	73.4	Confident	132 Å²	132	77.3 Å²	77.3	58%	0.579	39%	0.387	S	S	*	.	H	α-helix	trans	-61.6	-45.8	174.3	179	-95.7	0	0	0	111.4	E334 A335 G341 T342	E334-F338 WeakPolarHBondContact O-CB 3.15Å; E334-F338 PolarHBondContact O-N 2.87Å; A335-F338 PolarHBondContact O-N 2.85Å; F338-G341 PolarHBondContact O-N 3.46Å; F338-T342 HydrophobicContact CD1-CG2 4.19Å; F338-T342 HydrophobicContact CD2-CG2 4.3Å; F338-T342 HydrophobicContact CE1-CG2 3.81Å; F338-T342 HydrophobicContact CE2-CG2 3.93Å; F338-T342 HydrophobicContact CG-CG2 4.43Å; F338-T342 HydrophobicContact CZ-CG2 3.67Å; F338-T342 WeakPolarHBondContact O-CB 3.41Å; F338-T342 VanDerWaalsContact O-CG2 3.27Å; F338-T342 WeakPolarHBondContact O-CG2 3.46Å; F338-T342 PolarHBondContact O-N 2.95Å; F338-T342 PolarHBondContact O-OG1 2.87Å
339	L	69.7	Low	73	Confident	100 Å²	100	76 Å²	76	52%	0.524	38%	0.383	S	S	.	.	H	α-helix	trans	-63.5	-43.5	178.5	-74.1	169.9	0	0	0	112.5	A335 L336 T342 Y343	A335-L339 WeakPolarHBondContact O-CB 3.4Å; A335-L339 VanDerWaalsContact O-CG 3.26Å; A335-L339 WeakPolarHBondContact O-CG 3.29Å; A335-L339 PolarHBondContact O-N 2.92Å; L336-L339 PolarHBondContact O-N 3.44Å; L339-T342 WeakPolarHBondContact CA-OG1 3.49Å; L339-T342 PolarHBondContact O-OG1 3.37Å; L339-Y343 VanDerWaalsContact O-CB 3.27Å; L339-Y343 WeakPolarHBondContact O-CB 3.38Å; L339-Y343 PolarHBondContact O-N 3.37Å
340	T	75.8	Confident	72.6	Confident	35 Å²	35	76.7 Å²	76.7	22%	0.215	39%	0.39	C	S	.	.	H	α-helix	trans	-67	-44.9	176.8	46	0	0	0	0	111.8	L249 I252 L336 Q337 T342 Y343 A344	L249-T340 HydrophobicContact CD1-CG2 4.2Å; I252-T340 HydrophobicContact CB-CG2 4.26Å; I252-T340 HydrophobicContact CD1-CG2 3.86Å; I252-T340 HydrophobicContact CG2-CG2 3.51Å; L336-T340 WeakPolarHBondContact O-CG2 3.5Å; L336-T340 PolarHBondContact O-N 2.95Å; L336-T340 PolarHBondContact O-OG1 3.42Å; Q337-T340 WeakPolarHBondContact CA-OG1 3.41Å; Q337-T340 PolarHBondContact O-N 3.39Å; Q337-T340 PolarHBondContact O-OG1 2.93Å; T340-T342 PolarHBondContact O-N 2.78Å; T340-Y343 PolarHBondContact O-N 2.87Å; T340-A344 WeakPolarHBondContact O-CB 3.26Å; T340-A344 PolarHBondContact O-N 2.97Å
341	G	72.7	Confident	72.3	Confident	29 Å²	29	75.2 Å²	75.2	30%	0.299	39%	0.388	S	S	.	.	H	α-helix	trans	-66.7	-34.4	178.2	0	0	0	0	0	113.7	Q337 F338 R345	Q337-G341 PolarHBondContact O-N 3.2Å; F338-G341 PolarHBondContact O-N 3.46Å; G341-R345 WeakPolarHBondContact O-CG 3.43Å; G341-R345 PolarHBondContact O-N 3.48Å; G341-R345 PolarHBondContact O-NE 2.93Å; G341-R345 VanDerWaalsContact O-NE 3.13Å
342	T	70.4	Confident	72.5	Confident	44 Å²	44	77.8 Å²	77.8	27%	0.27	39%	0.393	S	S	.	.	H	α-helix	trans	-71	-43.3	172.5	48.8	0	0	0	0	111.5	F338 L339 T340 R345 F346	F338-T342 HydrophobicContact CD1-CG2 4.19Å; F338-T342 HydrophobicContact CD2-CG2 4.3Å; F338-T342 HydrophobicContact CE1-CG2 3.81Å; F338-T342 HydrophobicContact CE2-CG2 3.93Å; F338-T342 HydrophobicContact CG-CG2 4.43Å; F338-T342 HydrophobicContact CZ-CG2 3.67Å; F338-T342 WeakPolarHBondContact O-CB 3.41Å; F338-T342 VanDerWaalsContact O-CG2 3.27Å; F338-T342 WeakPolarHBondContact O-CG2 3.46Å; F338-T342 PolarHBondContact O-N 2.95Å; F338-T342 PolarHBondContact O-OG1 2.87Å; L339-T342 WeakPolarHBondContact CA-OG1 3.49Å; L339-T342 PolarHBondContact O-OG1 3.37Å; T340-T342 PolarHBondContact O-N 2.78Å; T342-R345 PolarHBondContact O-N 3.03Å; T342-F346 WeakPolarHBondContact O-CB 3.4Å; T342-F346 PolarHBondContact O-N 3.18Å
343	Y	72.9	Confident	72.1	Confident	70 Å²	70	81 Å²	81	28%	0.275	41%	0.405	S	S	.	.	H	α-helix	trans	-60	-48.1	175.5	-179.8	-103.1	0	0	0	112.3	L339 T340 R345 F346 N347	L339-Y343 VanDerWaalsContact O-CB 3.27Å; L339-Y343 WeakPolarHBondContact O-CB 3.38Å; L339-Y343 PolarHBondContact O-N 3.37Å; T340-Y343 PolarHBondContact O-N 2.87Å; Y343-R345 VanDerWaalsContact C-N 3.29Å; Y343-R345 PolarHBondContact O-N 3.06Å; Y343-F346 PolarHBondContact O-N 2.92Å; Y343-F346 VanDerWaalsContact O-N 3.16Å; Y343-N347 WeakPolarHBondContact CE1-ND2 3.38Å; Y343-N347 VanDerWaalsContact CZ-ND2 3.35Å; Y343-N347 PolarHBondContact O-N 3.28Å; Y343-N347 PolarHBondContact OH-ND2 3.17Å; Y343-N347 VanDerWaalsContact OH-ND2 3.16Å
344	A	73.7	Confident	71.8	Confident	43 Å²	43	84.8 Å²	84.8	36%	0.355	42%	0.421	S	S	.	.	H	α-helix	trans	-62.9	-33.9	179	0	0	0	0	0	113	T340 R348	T340-A344 WeakPolarHBondContact O-CB 3.26Å; T340-A344 PolarHBondContact O-N 2.97Å; A344-R348 WeakPolarHBondContact O-CG 3.5Å; A344-R348 PolarHBondContact O-N 2.89Å; A344-R348 PolarHBondContact O-NE 2.85Å
345	R	70	Confident	71.8	Confident	131 Å²	131	83.5 Å²	83.5	49%	0.494	42%	0.415	S	S	.	.	H	α-helix	trans	-69.3	-46.5	172	-80.8	-177.8	-71.3	-176.3	-0.2	111.6	G341 T342 Y343 N347 R348 Q349	G341-R345 WeakPolarHBondContact O-CG 3.43Å; G341-R345 PolarHBondContact O-N 3.48Å; G341-R345 PolarHBondContact O-NE 2.93Å; G341-R345 VanDerWaalsContact O-NE 3.13Å; T342-R345 PolarHBondContact O-N 3.03Å; Y343-R345 VanDerWaalsContact C-N 3.29Å; Y343-R345 PolarHBondContact O-N 3.06Å; R345-N347 PolarHBondContact O-N 3.38Å; R345-R348 PolarHBondContact O-N 2.88Å; R345-Q349 PolarHBondContact O-N 3.25Å
346	F	66.2	Low	72	Confident	110 Å²	110	88 Å²	88	48%	0.482	42%	0.422	S	S	.	.	H	α-helix	trans	-60.8	-44.3	179	-176.4	-96.6	0	0	0	111.8	T342 Y343 R348 Q349 L350	T342-F346 WeakPolarHBondContact O-CB 3.4Å; T342-F346 PolarHBondContact O-N 3.18Å; Y343-F346 PolarHBondContact O-N 2.92Å; Y343-F346 VanDerWaalsContact O-N 3.16Å; F346-R348 PolarHBondContact O-N 2.82Å; F346-Q349 PolarHBondContact O-N 3.48Å; F346-L350 HydrophobicContact CE1-CD2 4.38Å; F346-L350 WeakPolarHBondContact O-CB 3.28Å; F346-L350 PolarHBondContact O-N 2.88Å
347	N	69.1	Low	71.5	Confident	45 Å²	45	88.8 Å²	88.8	24%	0.241	43%	0.43	C	S	.	.	H	α-helix	trans	-60.5	-45.7	176.5	-99.3	14.1	0	0	0	111.9	Y343 R345 Q349 L350 V351	Y343-N347 WeakPolarHBondContact CE1-ND2 3.38Å; Y343-N347 VanDerWaalsContact CZ-ND2 3.35Å; Y343-N347 PolarHBondContact O-N 3.28Å; Y343-N347 PolarHBondContact OH-ND2 3.17Å; Y343-N347 VanDerWaalsContact OH-ND2 3.16Å; R345-N347 PolarHBondContact O-N 3.38Å; N347-Q349 VanDerWaalsContact C-N 3.33Å; N347-Q349 PolarHBondContact O-N 2.87Å; N347-L350 PolarHBondContact O-N 3.19Å; N347-V351 WeakPolarHBondContact O-CG2 3.49Å; N347-V351 PolarHBondContact O-N 2.87Å
348	R	72.8	Confident	71.5	Confident	166 Å²	166	87.1 Å²	87.1	63%	0.626	42%	0.424	S	S	*	.	H	α-helix	trans	-58.9	-44.3	176.1	-79.8	-175.9	-77.9	-164.7	-1.8	112.1	A344 R345 F346 V351 L352	A344-R348 WeakPolarHBondContact O-CG 3.5Å; A344-R348 PolarHBondContact O-N 2.89Å; A344-R348 PolarHBondContact O-NE 2.85Å; R345-R348 PolarHBondContact O-N 2.88Å; F346-R348 PolarHBondContact O-N 2.82Å; R348-V351 PolarHBondContact O-N 2.89Å; R348-L352 WeakPolarHBondContact O-CG 3.44Å; R348-L352 PolarHBondContact O-N 2.98Å; R348-L352 VanDerWaalsContact O-N 3.09Å
349	Q	68.2	Low	71.8	Confident	99 Å²	99	84.4 Å²	84.4	46%	0.463	42%	0.418	S	S	.	.	H	α-helix	trans	-68.8	-37.2	179.2	-166.6	172.1	7.5	0	0	112.4	R345 F346 N347 L352 E353	R345-Q349 PolarHBondContact O-N 3.25Å; F346-Q349 PolarHBondContact O-N 3.48Å; N347-Q349 VanDerWaalsContact C-N 3.33Å; N347-Q349 PolarHBondContact O-N 2.87Å; Q349-L352 PolarHBondContact O-N 2.95Å; Q349-E353 WeakPolarHBondContact O-CB 3.33Å; Q349-E353 PolarHBondContact O-N 3.01Å
350	L	69.4	Low	72	Confident	66 Å²	66	83.4 Å²	83.4	35%	0.346	41%	0.413	S	S	.	.	H	α-helix	trans	-62	-43.2	175.1	-179.5	65.3	0	0	0	111.4	F346 N347 E353 Q354	F346-L350 HydrophobicContact CE1-CD2 4.38Å; F346-L350 WeakPolarHBondContact O-CB 3.28Å; F346-L350 PolarHBondContact O-N 2.88Å; N347-L350 PolarHBondContact O-N 3.19Å; L350-E353 PolarHBondContact O-N 2.9Å; L350-Q354 VanDerWaalsContact O-CG 3.28Å; L350-Q354 WeakPolarHBondContact O-CG 3.37Å; L350-Q354 PolarHBondContact O-N 3.4Å
351	V	74.5	Confident	71.4	Confident	71 Å²	71	87 Å²	87	43%	0.43	43%	0.427	S	S	.	.	H	α-helix	trans	-62.5	-46.9	176	171.8	0	0	0	0	110.8	N347 R348 E353 Q354 E355	N347-V351 WeakPolarHBondContact O-CG2 3.49Å; N347-V351 PolarHBondContact O-N 2.87Å; R348-V351 PolarHBondContact O-N 2.89Å; V351-E353 VanDerWaalsContact C-N 3.32Å; V351-E353 PolarHBondContact O-N 2.69Å; V351-Q354 WeakPolarHBondContact O-CB 3.2Å; V351-Q354 PolarHBondContact O-N 3.02Å; V351-Q354 VanDerWaalsContact O-N 3.16Å; V351-E355 PolarHBondContact O-N 3.32Å
352	L	76	Confident	71.4	Confident	110 Å²	110	93.7 Å²	93.7	58%	0.576	44%	0.444	S	S	*	.	H	α-helix	trans	-59.5	-41.4	176.5	-71.2	170.8	0	0	0	112.3	R348 Q349 E355 R356	R348-L352 WeakPolarHBondContact O-CG 3.44Å; R348-L352 PolarHBondContact O-N 2.98Å; R348-L352 VanDerWaalsContact O-N 3.09Å; Q349-L352 PolarHBondContact O-N 2.95Å; L352-E355 PolarHBondContact O-N 3.11Å; L352-R356 WeakPolarHBondContact O-CB 3.35Å; L352-R356 PolarHBondContact O-N 2.77Å
353	E	67.3	Low	71.7	Confident	92 Å²	92	93.9 Å²	93.9	43%	0.43	44%	0.444	S	S	.	.	H	α-helix	trans	-69.8	-33.6	177.9	-169.5	60.3	-154.9	0	0	112.1	Q349 L350 V351 R356 C357	Q349-E353 WeakPolarHBondContact O-CB 3.33Å; Q349-E353 PolarHBondContact O-N 3.01Å; L350-E353 PolarHBondContact O-N 2.9Å; V351-E353 VanDerWaalsContact C-N 3.32Å; V351-E353 PolarHBondContact O-N 2.69Å; E353-R356 PolarHBondContact O-N 2.85Å; E353-C357 WeakPolarHBondContact O-CB 3.01Å; E353-C357 PolarHBondContact O-N 2.9Å; E353-C357 PolarHBondContact O-SG 3.5Å
354	Q	71.6	Confident	71.7	Confident	99 Å²	99	95 Å²	95	46%	0.463	46%	0.458	S	S	.	.	H	α-helix	trans	-63.8	-47.1	172.3	-76.4	172.3	-13.6	0	0	111.3	L350 V351 R356 C357 I358	L350-Q354 VanDerWaalsContact O-CG 3.28Å; L350-Q354 WeakPolarHBondContact O-CG 3.37Å; L350-Q354 PolarHBondContact O-N 3.4Å; V351-Q354 WeakPolarHBondContact O-CB 3.2Å; V351-Q354 PolarHBondContact O-N 3.02Å; V351-Q354 VanDerWaalsContact O-N 3.16Å; Q354-R356 VanDerWaalsContact C-N 3.31Å; Q354-R356 PolarHBondContact O-N 2.88Å; Q354-C357 PolarHBondContact O-N 3.44Å; Q354-I358 WeakPolarHBondContact O-CG1 3.34Å; Q354-I358 PolarHBondContact O-N 2.99Å
355	E	73.2	Confident	71.7	Confident	112 Å²	112	98 Å²	98	52%	0.523	47%	0.465	S	S	.	.	H	α-helix	trans	-60.9	-41.4	175.9	-72.3	-178.5	164.2	0	0	111.8	V351 L352 I358 T359	V351-E355 PolarHBondContact O-N 3.32Å; L352-E355 PolarHBondContact O-N 3.11Å; E355-I358 PolarHBondContact O-N 2.87Å; E355-T359 WeakPolarHBondContact O-CB 3.37Å; E355-T359 PolarHBondContact O-N 2.9Å; E355-T359 PolarHBondContact O-OG1 3.34Å
356	R	74	Confident	71.9	Confident	145 Å²	145	96.4 Å²	96.4	55%	0.547	46%	0.463	S	S	.	.	H	α-helix	trans	-61.2	-44.9	173.7	-173.4	-175.1	173.1	163.8	3.1	111.7	L352 E353 Q354 T359 L360	L352-R356 WeakPolarHBondContact O-CB 3.35Å; L352-R356 PolarHBondContact O-N 2.77Å; E353-R356 PolarHBondContact O-N 2.85Å; Q354-R356 VanDerWaalsContact C-N 3.31Å; Q354-R356 PolarHBondContact O-N 2.88Å; R356-T359 PolarHBondContact O-N 3.24Å; R356-L360 HydrophobicContact CG-CD1 4.19Å; R356-L360 WeakPolarHBondContact O-CB 3.34Å; R356-L360 WeakPolarHBondContact O-CG 3.26Å; R356-L360 PolarHBondContact O-N 3.34Å
357	C	65.7	Low	72.6	Confident	55 Å²	55	94.5 Å²	94.5	37%	0.372	46%	0.46	S	S	.	.	H	α-helix	trans	-61.9	-45.9	177.7	-74.8	0	0	0	0	111.6	E353 Q354 T359 L360 E361	E353-C357 WeakPolarHBondContact O-CB 3.01Å; E353-C357 PolarHBondContact O-N 2.9Å; E353-C357 PolarHBondContact O-SG 3.5Å; Q354-C357 PolarHBondContact O-N 3.44Å; C357-T359 VanDerWaalsContact C-N 3.29Å; C357-T359 PolarHBondContact O-N 3.38Å; C357-L360 PolarHBondContact O-N 2.75Å; C357-E361 WeakPolarHBondContact O-CG 3.18Å; C357-E361 PolarHBondContact O-N 3.42Å
358	I	76.2	Confident	72.8	Confident	75 Å²	75	95 Å²	95	39%	0.385	47%	0.47	S	S	.	.	H	α-helix	trans	-60.9	-40.6	176.4	-68.2	164.9	0	0	0	110.7	Q354 E355 E361 R362	Q354-I358 WeakPolarHBondContact O-CG1 3.34Å; Q354-I358 PolarHBondContact O-N 2.99Å; E355-I358 PolarHBondContact O-N 2.87Å; I358-E361 PolarHBondContact O-N 3.1Å; I358-R362 WeakPolarHBondContact O-CG 3.48Å; I358-R362 PolarHBondContact O-N 3.36Å; I358-R362 VanDerWaalsContact O-N 3.1Å
359	T	78.1	Confident	73.2	Confident	76 Å²	76	92.6 Å²	92.6	47%	0.466	47%	0.465	S	S	.	.	H	α-helix	trans	-66.4	-41.4	177.6	-56.9	0	0	0	0	111.6	E355 R356 C357 R362 T363	E355-T359 WeakPolarHBondContact O-CB 3.37Å; E355-T359 PolarHBondContact O-N 2.9Å; E355-T359 PolarHBondContact O-OG1 3.34Å; R356-T359 PolarHBondContact O-N 3.24Å; C357-T359 VanDerWaalsContact C-N 3.29Å; C357-T359 PolarHBondContact O-N 3.38Å; T359-R362 PolarHBondContact O-N 2.88Å; T359-T363 PolarHBondContact O-N 3.41Å; T359-T363 PolarHBondContact O-OG1 2.72Å
360	L	73.3	Confident	74	Confident	79 Å²	79	91.6 Å²	91.6	41%	0.414	46%	0.46	S	S	.	.	H	α-helix	trans	-64.6	-37.9	174.2	-76.7	169	0	0	0	112.4	R356 C357 R362 T363 V364	R356-L360 HydrophobicContact CG-CD1 4.19Å; R356-L360 WeakPolarHBondContact O-CB 3.34Å; R356-L360 WeakPolarHBondContact O-CG 3.26Å; R356-L360 PolarHBondContact O-N 3.34Å; C357-L360 PolarHBondContact O-N 2.75Å; L360-R362 VanDerWaalsContact C-N 3.35Å; L360-T363 WeakPolarHBondContact CA-OG1 3.37Å; L360-T363 PolarHBondContact O-N 3.27Å; L360-T363 PolarHBondContact O-OG1 3.29Å; L360-V364 WeakPolarHBondContact O-CB 3.37Å; L360-V364 VanDerWaalsContact O-CG2 3.29Å; L360-V364 WeakPolarHBondContact O-CG2 3.5Å; L360-V364 PolarHBondContact O-N 2.85Å
361	E	63.9	Low	74.4	Confident	111 Å²	111	93.2 Å²	93.2	52%	0.519	47%	0.468	S	S	.	.	H	α-helix	trans	-60.8	-44.8	174.5	-76.4	176.1	173	0	0	111.1	C357 I358 V364 E365	C357-E361 WeakPolarHBondContact O-CG 3.18Å; C357-E361 PolarHBondContact O-N 3.42Å; I358-E361 PolarHBondContact O-N 3.1Å; E361-V364 PolarHBondContact O-N 2.83Å; E361-E365 WeakPolarHBondContact O-CB 3.38Å; E361-E365 PolarHBondContact O-N 3.44Å
362	R	73.6	Confident	74.7	Confident	169 Å²	169	98.1 Å²	98.1	64%	0.638	48%	0.479	S	S	*	.	H	α-helix	trans	-63.3	-42	176.1	-69.9	179.3	-171	142.6	1.4	112.8	I358 T359 L360 E365 Q366	I358-R362 WeakPolarHBondContact O-CG 3.48Å; I358-R362 PolarHBondContact O-N 3.36Å; I358-R362 VanDerWaalsContact O-N 3.1Å; T359-R362 PolarHBondContact O-N 2.88Å; L360-R362 VanDerWaalsContact C-N 3.35Å; R362-E365 PolarHBondContact O-N 3.08Å; R362-Q366 WeakPolarHBondContact O-CB 3.22Å; R362-Q366 PolarHBondContact O-N 2.74Å
363	T	76.8	Confident	74.9	Confident	47 Å²	47	95.6 Å²	95.6	29%	0.288	47%	0.471	S	S	.	.	H	α-helix	trans	-69.1	-40.7	179.4	49.7	0	0	0	0	112.2	T359 L360 E365 Q366 V367	T359-T363 PolarHBondContact O-N 3.41Å; T359-T363 PolarHBondContact O-OG1 2.72Å; L360-T363 WeakPolarHBondContact CA-OG1 3.37Å; L360-T363 PolarHBondContact O-N 3.27Å; L360-T363 PolarHBondContact O-OG1 3.29Å; T363-E365 VanDerWaalsContact C-N 3.35Å; T363-E365 PolarHBondContact O-N 3.12Å; T363-Q366 PolarHBondContact O-N 3.36Å; T363-V367 WeakPolarHBondContact O-CG2 3.11Å; T363-V367 PolarHBondContact O-N 3.03Å
364	V	71.6	Confident	75.4	Confident	94 Å²	94	96 Å²	96	57%	0.57	48%	0.476	S	S	*	.	H	α-helix	trans	-62.5	-42.5	174.2	170.6	0	0	0	0	111.1	L360 E361 Q366 V367 A368	L360-V364 WeakPolarHBondContact O-CB 3.37Å; L360-V364 VanDerWaalsContact O-CG2 3.29Å; L360-V364 WeakPolarHBondContact O-CG2 3.5Å; L360-V364 PolarHBondContact O-N 2.85Å; E361-V364 PolarHBondContact O-N 2.83Å; V364-Q366 VanDerWaalsContact C-N 3.31Å; V364-Q366 PolarHBondContact O-N 2.82Å; V364-V367 PolarHBondContact O-N 2.72Å; V364-A368 WeakPolarHBondContact O-CB 3.37Å; V364-A368 PolarHBondContact O-N 3.49Å
365	E	73.6	Confident	75.5	Confident	107 Å²	107	97.6 Å²	97.6	50%	0.5	48%	0.483	S	S	.	.	H	α-helix	trans	-61.9	-40.5	176.2	-165.3	-172.6	156.5	0	0	111.6	E361 R362 T363 A368 K369	E361-E365 WeakPolarHBondContact O-CB 3.38Å; E361-E365 PolarHBondContact O-N 3.44Å; R362-E365 PolarHBondContact O-N 3.08Å; T363-E365 VanDerWaalsContact C-N 3.35Å; T363-E365 PolarHBondContact O-N 3.12Å; E365-A368 PolarHBondContact O-N 3.37Å; E365-K369 WeakPolarHBondContact O-CG 3.21Å; E365-K369 PolarHBondContact O-N 3.07Å; E365-K369 VanDerWaalsContact OE1-CE 3.26Å; E365-K369 WeakPolarHBondContact OE1-CE 3.37Å; E365-K369 IonicContact OE1-NZ 3.95Å; E365-K369 PolarHBondContact OE1-NZ 3.02Å
366	Q	75.4	Confident	75.5	Confident	97 Å²	97	96.4 Å²	96.4	45%	0.453	48%	0.479	S	S	.	.	H	α-helix	trans	-64.9	-48.3	177.3	-173.6	60.9	25.4	0	0	112.1	R362 T363 V364 A368 K369 E370	R362-Q366 WeakPolarHBondContact O-CB 3.22Å; R362-Q366 PolarHBondContact O-N 2.74Å; T363-Q366 PolarHBondContact O-N 3.36Å; V364-Q366 VanDerWaalsContact C-N 3.31Å; V364-Q366 PolarHBondContact O-N 2.82Å; Q366-A368 VanDerWaalsContact C-N 3.29Å; Q366-A368 PolarHBondContact O-N 3.24Å; Q366-K369 WeakPolarHBondContact O-CB 3.5Å; Q366-K369 PolarHBondContact O-N 2.87Å; Q366-K369 VanDerWaalsContact O-N 3.13Å; Q366-E370 PolarHBondContact NE2-OE1 2.77Å; Q366-E370 PolarHBondContact O-N 2.93Å
367	V	80.7	Confident	75.5	Confident	69 Å²	69	94.4 Å²	94.4	42%	0.418	48%	0.476	S	S	.	.	H	α-helix	trans	-61.8	-38.5	177.1	172.2	0	0	0	0	111.3	T363 V364 K369 E370 L371	T363-V367 WeakPolarHBondContact O-CG2 3.11Å; T363-V367 PolarHBondContact O-N 3.03Å; V364-V367 PolarHBondContact O-N 2.72Å; V367-K369 VanDerWaalsContact C-N 3.34Å; V367-K369 PolarHBondContact O-N 2.87Å; V367-E370 PolarHBondContact O-N 3.39Å; V367-L371 HydrophobicContact CG1-CD1 4.07Å; V367-L371 WeakPolarHBondContact O-CB 3.25Å; V367-L371 PolarHBondContact O-N 3.29Å
368	A	73.8	Confident	75.7	Confident	55 Å²	55	97.4 Å²	97.4	46%	0.455	49%	0.488	S	S	.	.	H	α-helix	trans	-64.3	-37.8	176	0	0	0	0	0	112.3	V364 E365 Q366 R372	V364-A368 WeakPolarHBondContact O-CB 3.37Å; V364-A368 PolarHBondContact O-N 3.49Å; E365-A368 PolarHBondContact O-N 3.37Å; Q366-A368 VanDerWaalsContact C-N 3.29Å; Q366-A368 PolarHBondContact O-N 3.24Å; A368-R372 WeakPolarHBondContact O-CB 3.27Å; A368-R372 PolarHBondContact O-N 2.88Å; A368-R372 VanDerWaalsContact O-N 3.16Å
369	K	80.4	Confident	75.4	Confident	116 Å²	116	101.8 Å²	101.8	50%	0.504	50%	0.504	S	S	.	.	H	α-helix	trans	-65.4	-42.6	173.8	-73.5	170.6	-175.7	165	0	111.6	E365 Q366 V367 R372 S373	E365-K369 WeakPolarHBondContact O-CG 3.21Å; E365-K369 PolarHBondContact O-N 3.07Å; E365-K369 VanDerWaalsContact OE1-CE 3.26Å; E365-K369 WeakPolarHBondContact OE1-CE 3.37Å; E365-K369 IonicContact OE1-NZ 3.95Å; E365-K369 PolarHBondContact OE1-NZ 3.02Å; Q366-K369 WeakPolarHBondContact O-CB 3.5Å; Q366-K369 PolarHBondContact O-N 2.87Å; Q366-K369 VanDerWaalsContact O-N 3.13Å; V367-K369 VanDerWaalsContact C-N 3.34Å; V367-K369 PolarHBondContact O-N 2.87Å; K369-R372 PolarHBondContact O-N 2.75Å; K369-S373 PolarHBondContact O-N 2.81Å
370	E	84.3	Confident	75	Confident	78 Å²	78	107.3 Å²	107.3	36%	0.364	52%	0.518	S	S	.	.	H	α-helix	trans	-65.4	-46.4	178.7	-72.8	174.5	-168.4	0	0	112.5	Q366 V367 R372 S373 L374	Q366-E370 PolarHBondContact NE2-OE1 2.77Å; Q366-E370 PolarHBondContact O-N 2.93Å; V367-E370 PolarHBondContact O-N 3.39Å; E370-R372 VanDerWaalsContact C-N 3.3Å; E370-R372 PolarHBondContact O-N 3.42Å; E370-S373 WeakPolarHBondContact O-CB 3.29Å; E370-S373 PolarHBondContact O-N 2.83Å; E370-S373 VanDerWaalsContact O-N 3.14Å; E370-L374 PolarHBondContact O-N 3.31Å
371	L	78.2	Confident	74.2	Confident	100 Å²	100	110.7 Å²	110.7	52%	0.524	53%	0.531	S	S	.	.	H	α-helix	trans	-57.6	-43.8	174.6	-82.8	167.4	0	0	0	111.7	V367 S373 L374 E375	V367-L371 HydrophobicContact CG1-CD1 4.07Å; V367-L371 WeakPolarHBondContact O-CB 3.25Å; V367-L371 PolarHBondContact O-N 3.29Å; L371-S373 VanDerWaalsContact C-N 3.32Å; L371-S373 PolarHBondContact O-N 2.93Å; L371-L374 PolarHBondContact O-N 3.41Å; L371-E375 WeakPolarHBondContact O-CG 3.08Å; L371-E375 PolarHBondContact O-N 2.8Å
372	R	81	Confident	73.3	Confident	175 Å²	175	111.2 Å²	111.2	66%	0.66	54%	0.536	S	S	*	.	H	α-helix	trans	-64.1	-38.1	177.5	-170	174.7	-173	163.4	1.2	112.1	A368 K369 E370 I376	A368-R372 WeakPolarHBondContact O-CB 3.27Å; A368-R372 PolarHBondContact O-N 2.88Å; A368-R372 VanDerWaalsContact O-N 3.16Å; K369-R372 PolarHBondContact O-N 2.75Å; E370-R372 VanDerWaalsContact C-N 3.3Å; E370-R372 PolarHBondContact O-N 3.42Å; R372-I376 HydrophobicContact CG-CD1 4.29Å; R372-I376 WeakPolarHBondContact O-CD1 3.46Å; R372-I376 VanDerWaalsContact O-CG1 3.22Å; R372-I376 WeakPolarHBondContact O-CG1 3.39Å; R372-I376 PolarHBondContact O-N 2.95Å; R372-I376 VanDerWaalsContact O-N 3.1Å
373	S	81	Confident	71.7	Confident	57 Å²	57	108.4 Å²	108.4	40%	0.399	54%	0.54	S	S	.	.	H	α-helix	trans	-63.4	-43.5	174.4	-173.8	0	0	0	0	111.5	K369 E370 L371 I376 Q377	K369-S373 PolarHBondContact O-N 2.81Å; E370-S373 WeakPolarHBondContact O-CB 3.29Å; E370-S373 PolarHBondContact O-N 2.83Å; E370-S373 VanDerWaalsContact O-N 3.14Å; L371-S373 VanDerWaalsContact C-N 3.32Å; L371-S373 PolarHBondContact O-N 2.93Å; S373-I376 PolarHBondContact O-N 3.39Å; S373-Q377 WeakPolarHBondContact O-CG 3.16Å; S373-Q377 PolarHBondContact O-N 3.11Å
374	L	76.3	Confident	70.2	Confident	101 Å²	101	111.9 Å²	111.9	53%	0.529	56%	0.555	S	S	.	*	H	α-helix	trans	-64.8	-42.6	176.9	-81.3	163	0	0	0	112.5	E370 L371 I376 Q377 L378	E370-L374 PolarHBondContact O-N 3.31Å; L371-L374 PolarHBondContact O-N 3.41Å; L374-I376 VanDerWaalsContact C-N 3.28Å; L374-I376 PolarHBondContact O-N 3.49Å; L374-Q377 PolarHBondContact O-N 2.92Å; L374-L378 WeakPolarHBondContact O-CB 3.5Å; L374-L378 PolarHBondContact O-N 2.78Å
375	E	74	Confident	68.5	Low	132 Å²	132	113.7 Å²	113.7	62%	0.617	57%	0.565	S	S	*	*	H	α-helix	trans	-58.1	-42.6	174.1	-77	176.3	177.6	0	0	111.3	L371 K379	L371-E375 WeakPolarHBondContact O-CG 3.08Å; L371-E375 PolarHBondContact O-N 2.8Å; E375-K379 WeakPolarHBondContact O-CB 3.47Å; E375-K379 PolarHBondContact O-N 2.76Å; E375-K379 VanDerWaalsContact O-N 3.13Å
376	I	73	Confident	66.9	Low	87 Å²	87	113.7 Å²	113.7	45%	0.446	57%	0.573	S	S	.	*	H	α-helix	trans	-64.3	-45.4	175.7	-68.2	167.3	0	0	0	110.4	R372 S373 L374 K379 Y380	R372-I376 HydrophobicContact CG-CD1 4.29Å; R372-I376 WeakPolarHBondContact O-CD1 3.46Å; R372-I376 VanDerWaalsContact O-CG1 3.22Å; R372-I376 WeakPolarHBondContact O-CG1 3.39Å; R372-I376 PolarHBondContact O-N 2.95Å; R372-I376 VanDerWaalsContact O-N 3.1Å; S373-I376 PolarHBondContact O-N 3.39Å; L374-I376 VanDerWaalsContact C-N 3.28Å; L374-I376 PolarHBondContact O-N 3.49Å; I376-K379 WeakPolarHBondContact O-CB 3.38Å; I376-K379 PolarHBondContact O-N 2.75Å; I376-Y380 HydrophobicContact CG2-CD2 3.89Å; I376-Y380 HydrophobicContact CG2-CE2 3.56Å; I376-Y380 WeakPolarHBondContact O-CD2 3.11Å; I376-Y380 PolarHBondContact O-N 2.73Å
377	Q	74.1	Confident	65	Low	102 Å²	102	116.7 Å²	116.7	48%	0.477	59%	0.586	S	S	.	*	H	α-helix	trans	-61.8	-45.2	178.3	-74.9	176.1	-3.8	0	0	112.4	S373 L374 K379 Y380 H381	S373-Q377 WeakPolarHBondContact O-CG 3.16Å; S373-Q377 PolarHBondContact O-N 3.11Å; L374-Q377 PolarHBondContact O-N 2.92Å; Q377-K379 PolarHBondContact O-N 3.35Å; Q377-Y380 PolarHBondContact O-N 3.35Å; Q377-H381 WeakPolarHBondContact O-CB 3.29Å; Q377-H381 PolarHBondContact O-N 3.14Å
378	L	71.4	Confident	62.8	Low	119 Å²	119	121.2 Å²	121.2	62%	0.623	61%	0.608	S	S	*	*	H	α-helix	trans	-58.6	-40.5	177	-169.9	74.5	0	0	0	110.8	L374 Y380 H381 I382	L374-L378 WeakPolarHBondContact O-CB 3.5Å; L374-L378 PolarHBondContact O-N 2.78Å; L378-Y380 PolarHBondContact O-N 2.82Å; L378-H381 PolarHBondContact O-N 2.96Å; L378-I382 WeakPolarHBondContact O-CG1 3.45Å; L378-I382 PolarHBondContact O-N 3.29Å
379	K	69.9	Low	61	Low	167 Å²	167	126.7 Å²	126.7	73%	0.726	62%	0.622	S	S	*	*	H	α-helix	trans	-62.6	-27.1	177.5	-155.2	172.9	-174.4	177.3	0	113.3	E375 I376 Q377	E375-K379 WeakPolarHBondContact O-CB 3.47Å; E375-K379 PolarHBondContact O-N 2.76Å; E375-K379 VanDerWaalsContact O-N 3.13Å; I376-K379 WeakPolarHBondContact O-CB 3.38Å; I376-K379 PolarHBondContact O-N 2.75Å; Q377-K379 PolarHBondContact O-N 3.35Å
380	Y	68.8	Low	59	Low	192 Å²	192	129.6 Å²	129.6	75%	0.753	64%	0.643	S	S	*	*	H	α-helix	trans	-94.8	-20.5	176.3	-70.5	-67.9	0	0	0	114	I376 Q377 L378	I376-Y380 HydrophobicContact CG2-CD2 3.89Å; I376-Y380 HydrophobicContact CG2-CE2 3.56Å; I376-Y380 WeakPolarHBondContact O-CD2 3.11Å; I376-Y380 PolarHBondContact O-N 2.73Å; Q377-Y380 PolarHBondContact O-N 3.35Å; L378-Y380 PolarHBondContact O-N 2.82Å
381	H	55.9	Low	56.6	Low	149 Å²	149	132.1 Å²	132.1	69%	0.69	66%	0.658	S	S	*	*	H	α-helix	trans	-96.4	-5.9	-174	-96.7	62.2	0	0	0	115.4	Q377 L378 P383	Q377-H381 WeakPolarHBondContact O-CB 3.29Å; Q377-H381 PolarHBondContact O-N 3.14Å; L378-H381 PolarHBondContact O-N 2.96Å; H381-P383 WeakPolarHBondContact O-CD 3.41Å; H381-P383 WeakPolarHBondContact O-CG 3.37Å; H381-P383 VanDerWaalsContact O-N 3.09Å
382	I	44.6	Very low	54.8	Low	122 Å²	122	133.9 Å²	133.9	63%	0.626	67%	0.668	S	S	*	*			trans	-68.6	104.1	172	-64.4	164.8	0	0	0	108	L378 M384	L378-I382 WeakPolarHBondContact O-CG1 3.45Å; L378-I382 PolarHBondContact O-N 3.29Å; I382-M384 PolarHBondContact O-N 3.17Å
383	P	40	Very low	53.2	Low	111 Å²	111	130.6 Å²	130.6	72%	0.721	67%	0.669	S	S	*	*			trans	-82.6	113.2	175	3.6	19.8	0	0	0	105.4	H381 V385	H381-P383 WeakPolarHBondContact O-CD 3.41Å; H381-P383 WeakPolarHBondContact O-CG 3.37Å; H381-P383 VanDerWaalsContact O-N 3.09Å; P383-V385 PolarHBondContact O-N 2.78Å
384	M	46.7	Very low	51.5	Low	120 Å²	120	135.5 Å²	135.5	59%	0.591	69%	0.689	S	S	*	*			trans	-59.3	110.6	172	-76.7	-177.1	64.4	0	0	108.8	I382 V386 V403	I382-M384 PolarHBondContact O-N 3.17Å; M384-V386 VanDerWaalsContact C-N 3.26Å; M384-V386 HydrophobicContact CB-CG2 4.32Å; M384-V386 HydrophobicContact CE-CG2 4.42Å; M384-V386 PolarHBondContact O-N 2.82Å; M384-V403 HydrophobicContact CE-CB 4.47Å; M384-V403 HydrophobicContact CE-CG1 3.8Å; M384-V403 HydrophobicContact CE-CG2 4.06Å; M384-V403 HydrophobicContact SD-CG1 3.8Å
385	V	35.8	Very low	49.8	Very low	132 Å²	132	136 Å²	136	80%	0.8	69%	0.689	S	S	*	*			trans	-67.3	91.3	166	-179	0	0	0	0	106.4	P383 E387	P383-V385 PolarHBondContact O-N 2.78Å; V385-E387 HydrophobicContact CG1-CG 4.31Å
386	V	38.7	Very low	48.6	Very low	107 Å²	107	132.9 Å²	132.9	65%	0.648	68%	0.681	S	S	*	*			trans	-89.1	105.1	163.2	-174.9	0	0	0	0	104.9	M384 D388	M384-V386 VanDerWaalsContact C-N 3.26Å; M384-V386 HydrophobicContact CB-CG2 4.32Å; M384-V386 HydrophobicContact CE-CG2 4.42Å; M384-V386 PolarHBondContact O-N 2.82Å; V386-D388 PolarHBondContact O-N 3.1Å; V386-D388 VanDerWaalsContact O-N 3.16Å
387	E	35.8	Very low	47.4	Very low	159 Å²	159	134.1 Å²	134.1	74%	0.743	69%	0.685	S	S	*	*			trans	-60.4	117.2	172.4	-71.7	-175.7	165.5	0	0	108.9	V385 K389	V385-E387 HydrophobicContact CG1-CG 4.31Å; E387-K389 PolarHBondContact O-N 3.25Å
388	D	34.6	Very low	45.9	Very low	165 Å²	165	135.7 Å²	135.7	88%	0.882	69%	0.692	S	S	*	*			trans	-60.5	93	177.6	-77.8	-42.4	0	0	0	110.8	V386	V386-D388 PolarHBondContact O-N 3.1Å; V386-D388 VanDerWaalsContact O-N 3.16Å
389	K	35.9	Very low	44.5	Very low	170 Å²	170	133.9 Å²	133.9	74%	0.739	69%	0.686	S	S	*	*			trans	-122.1	105.1	154.9	-72.1	-173.6	-179	173.1	0	107.8	E387 I391	E387-K389 PolarHBondContact O-N 3.25Å; K389-I391 WeakPolarHBondContact O-CG1 3.39Å; K389-I391 PolarHBondContact O-N 3.18Å
390	N	38.5	Very low	43.4	Very low	177 Å²	177	132.8 Å²	132.8	95%	0.947	68%	0.682	S	S	*	*			trans	2	87.5	163.1	-82.7	-20.2	0	0	0	115
391	I	35.3	Very low	42.2	Very low	131 Å²	131	129.4 Å²	129.4	67%	0.672	67%	0.673	S	S	*	*			trans	-124.2	127.1	164.5	-66.4	166.6	0	0	0	107.9	K389 Q395	K389-I391 WeakPolarHBondContact O-CG1 3.39Å; K389-I391 PolarHBondContact O-N 3.18Å; I391-Q395 HydrophobicContact CG2-CB 4.31Å
392	N	39.1	Very low	41.7	Very low	137 Å²	137	126.6 Å²	126.6	73%	0.733	67%	0.666	S	S	*	*			trans	-56.5	151.6	-174.1	-79.8	-39.8	0	0	0	113.2	I394 Q395	N392-I394 PolarHBondContact O-N 3.45Å; N392-Q395 PolarHBondContact O-N 3.27Å
393	P	48.6	Very low	41.7	Very low	105 Å²	105	122.6 Å²	122.6	68%	0.682	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-63.1	-15	-166.4	-21.6	32.2	0	0	0	116.5	S396	P393-S396 PolarHBondContact O-OG 3.06Å
394	I	44.7	Very low	42	Very low	161 Å²	161	125.1 Å²	125.1	83%	0.826	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-78	-20	-173	-59.2	176.3	0	0	0	112.3	N392	N392-I394 PolarHBondContact O-N 3.45Å
395	Q	41.5	Very low	41.8	Very low	112 Å²	112	125.4 Å²	125.4	52%	0.523	65%	0.647	S	S	.	*	G	3₁₀ helix	trans	-91.5	5.3	178.2	-72.6	-178.6	-14.8	0	0	114.6	I391 N392 E397 T399	I391-Q395 HydrophobicContact CG2-CB 4.31Å; N392-Q395 PolarHBondContact O-N 3.27Å; Q395-E397 PolarHBondContact O-N 2.99Å; Q395-T399 PolarHBondContact O-N 3.49Å; Q395-T399 PolarHBondContact O-OG1 2.95Å
396	S	48.2	Very low	42.3	Very low	65 Å²	65	121.7 Å²	121.7	46%	0.455	63%	0.627	S	S	.	*	H	α-helix	trans	-73.7	-23.6	-176.5	64.4	0	0	0	0	114.7	P393 K400	P393-S396 PolarHBondContact O-OG 3.06Å; S396-K400 WeakPolarHBondContact O-CG 3.44Å
397	E	46.5	Very low	42.5	Very low	114 Å²	114	120.4 Å²	120.4	53%	0.533	62%	0.619	S	S	.	*	H	α-helix	trans	-80.7	-45.9	176.9	-104.7	-75.3	154.6	0	0	112.1	Q395 T399 K400 Q401	Q395-E397 PolarHBondContact O-N 2.99Å; E397-T399 VanDerWaalsContact C-N 3.27Å; E397-T399 PolarHBondContact O-N 3.46Å; E397-K400 PolarHBondContact O-N 2.95Å; E397-K400 VanDerWaalsContact O-N 3.14Å; E397-Q401 PolarHBondContact O-N 3.01Å; E397-Q401 VanDerWaalsContact O-N 3.16Å; E397-Q401 PolarHBondContact OE2-NE2 2.9Å; E397-Q401 VanDerWaalsContact OE2-NE2 3.14Å
398	E	42.9	Very low	42.8	Very low	135 Å²	135	119.7 Å²	119.7	63%	0.631	62%	0.615	S	S	*	*	H	α-helix	trans	-61.8	-36.6	178.2	-73.9	-177.7	156.7	0	0	111.8	K400 Q401 T402	E398-K400 PolarHBondContact O-N 3.5Å; E398-Q401 PolarHBondContact O-N 3.45Å; E398-T402 WeakPolarHBondContact O-CB 3.35Å; E398-T402 PolarHBondContact O-N 2.85Å; E398-T402 PolarHBondContact O-OG1 2.98Å
399	T	42.6	Very low	42.9	Very low	81 Å²	81	118 Å²	118	50%	0.497	60%	0.6	S	S	.	*	H	α-helix	trans	-66.2	-38	177.5	-49.1	0	0	0	0	111.6	Q395 E397 V403	Q395-T399 PolarHBondContact O-N 3.49Å; Q395-T399 PolarHBondContact O-OG1 2.95Å; E397-T399 VanDerWaalsContact C-N 3.27Å; E397-T399 PolarHBondContact O-N 3.46Å; T399-V403 HydrophobicContact CG2-CG2 4.47Å; T399-V403 WeakPolarHBondContact O-CB 3.35Å; T399-V403 WeakPolarHBondContact O-CG2 3.37Å; T399-V403 PolarHBondContact O-N 3.41Å; T399-V403 VanDerWaalsContact O-N 3.07Å
400	K	46.4	Very low	43	Very low	143 Å²	143	113.7 Å²	113.7	62%	0.622	59%	0.588	S	S	*	*	H	α-helix	trans	-70.2	-37.3	178.3	-74.9	175.4	-177.9	174.9	0	112.8	S396 E397 E398 K404	S396-K400 WeakPolarHBondContact O-CG 3.44Å; E397-K400 PolarHBondContact O-N 2.95Å; E397-K400 VanDerWaalsContact O-N 3.14Å; E398-K400 PolarHBondContact O-N 3.5Å; K400-K404 PolarHBondContact O-N 2.84Å; K400-K404 VanDerWaalsContact O-N 3.13Å
401	Q	43.6	Very low	42.8	Very low	121 Å²	121	109.5 Å²	109.5	57%	0.565	57%	0.566	S	S	*	*	H	α-helix	trans	-72.6	-41.2	177.6	-68.8	-174.6	15.1	0	0	111.9	E397 E398 V403 K404 Q405	E397-Q401 PolarHBondContact O-N 3.01Å; E397-Q401 VanDerWaalsContact O-N 3.16Å; E397-Q401 PolarHBondContact OE2-NE2 2.9Å; E397-Q401 VanDerWaalsContact OE2-NE2 3.14Å; E398-Q401 PolarHBondContact O-N 3.45Å; Q401-V403 VanDerWaalsContact C-N 3.31Å; Q401-V403 PolarHBondContact O-N 3.38Å; Q401-K404 PolarHBondContact O-N 3.23Å; Q401-Q405 PolarHBondContact O-N 3.44Å
402	T	45.2	Very low	42.8	Very low	90 Å²	90	106.4 Å²	106.4	55%	0.552	56%	0.556	S	S	*	*	H	α-helix	trans	-63.1	-38.6	176.9	-52.3	0	0	0	0	111.4	E398 Q405 S406	E398-T402 WeakPolarHBondContact O-CB 3.35Å; E398-T402 PolarHBondContact O-N 2.85Å; E398-T402 PolarHBondContact O-OG1 2.98Å; T402-Q405 PolarHBondContact O-N 2.77Å; T402-S406 PolarHBondContact O-N 3.36Å; T402-S406 PolarHBondContact O-OG 3.48Å
403	V	45.7	Very low	42.4	Very low	39 Å²	39	105 Å²	105	24%	0.236	55%	0.545	C	S	.	.	H	α-helix	trans	-72.9	-36.3	178.4	174.8	0	0	0	0	112.6	M384 T399 Q401 Q405 S406 V407	M384-V403 HydrophobicContact CE-CB 4.47Å; M384-V403 HydrophobicContact CE-CG1 3.8Å; M384-V403 HydrophobicContact CE-CG2 4.06Å; M384-V403 HydrophobicContact SD-CG1 3.8Å; T399-V403 HydrophobicContact CG2-CG2 4.47Å; T399-V403 WeakPolarHBondContact O-CB 3.35Å; T399-V403 WeakPolarHBondContact O-CG2 3.37Å; T399-V403 PolarHBondContact O-N 3.41Å; T399-V403 VanDerWaalsContact O-N 3.07Å; Q401-V403 VanDerWaalsContact C-N 3.31Å; Q401-V403 PolarHBondContact O-N 3.38Å; V403-Q405 VanDerWaalsContact C-N 3.33Å; V403-Q405 PolarHBondContact O-N 2.87Å; V403-S406 VanDerWaalsContact CA-OG 3.3Å; V403-S406 WeakPolarHBondContact CA-OG 3.44Å; V403-S406 PolarHBondContact O-N 2.64Å; V403-S406 PolarHBondContact O-OG 3.22Å; V403-S406 VanDerWaalsContact O-OG 3.07Å; V403-V407 HydrophobicContact CG1-CG2 4.33Å; V403-V407 VanDerWaalsContact O-CG2 3.32Å; V403-V407 WeakPolarHBondContact O-CG2 3.35Å; V403-V407 PolarHBondContact O-N 2.83Å
404	K	46.5	Very low	41.6	Very low	163 Å²	163	107.1 Å²	107.1	71%	0.709	55%	0.545	S	S	*	.	H	α-helix	trans	-60.8	-44.1	171.3	-103.5	-177	175.7	179.8	0	111.6	K400 Q401 E408	K400-K404 PolarHBondContact O-N 2.84Å; K400-K404 VanDerWaalsContact O-N 3.13Å; Q401-K404 PolarHBondContact O-N 3.23Å; K404-E408 PolarHBondContact O-N 2.79Å
405	Q	42.3	Very low	40.9	Very low	127 Å²	127	106.3 Å²	106.3	59%	0.593	54%	0.543	S	S	*	.	H	α-helix	trans	-65	-40.8	176.1	-91.3	-176.2	-11.9	0	0	112.2	Q401 T402 V403 E408 K409	Q401-Q405 PolarHBondContact O-N 3.44Å; T402-Q405 PolarHBondContact O-N 2.77Å; V403-Q405 VanDerWaalsContact C-N 3.33Å; V403-Q405 PolarHBondContact O-N 2.87Å; Q405-E408 PolarHBondContact O-N 2.94Å; Q405-K409 WeakPolarHBondContact O-CB 3.41Å; Q405-K409 PolarHBondContact O-N 2.85Å
406	S	46.2	Very low	40.3	Very low	54 Å²	54	104.5 Å²	104.5	38%	0.378	54%	0.542	S	S	.	.	H	α-helix	trans	-69.2	-37.2	178.5	55.5	0	0	0	0	112.4	T402 V403 K409 T410	T402-S406 PolarHBondContact O-N 3.36Å; T402-S406 PolarHBondContact O-OG 3.48Å; V403-S406 VanDerWaalsContact CA-OG 3.3Å; V403-S406 WeakPolarHBondContact CA-OG 3.44Å; V403-S406 PolarHBondContact O-N 2.64Å; V403-S406 PolarHBondContact O-OG 3.22Å; V403-S406 VanDerWaalsContact O-OG 3.07Å; S406-K409 PolarHBondContact O-N 3.09Å; S406-T410 WeakPolarHBondContact O-CB 3.44Å; S406-T410 PolarHBondContact O-N 2.87Å; S406-T410 PolarHBondContact O-OG1 2.96Å
407	V	42	Very low	39.4	Very low	79 Å²	79	108.6 Å²	108.6	48%	0.479	56%	0.559	S	S	.	*	H	α-helix	trans	-66.7	-40.5	173.5	175.3	0	0	0	0	111.6	V403 K409 L411	V403-V407 HydrophobicContact CG1-CG2 4.33Å; V403-V407 VanDerWaalsContact O-CG2 3.32Å; V403-V407 WeakPolarHBondContact O-CG2 3.35Å; V403-V407 PolarHBondContact O-N 2.83Å; V407-K409 VanDerWaalsContact C-N 3.32Å; V407-L411 HydrophobicContact CG1-CD1 3.88Å; V407-L411 WeakPolarHBondContact O-CB 3.39Å; V407-L411 WeakPolarHBondContact O-CD1 3.14Å; V407-L411 WeakPolarHBondContact O-CG 3.42Å; V407-L411 PolarHBondContact O-N 3.39Å; V407-L411 VanDerWaalsContact O-N 3.13Å
408	E	42.5	Very low	38.5	Very low	144 Å²	144	109.3 Å²	109.3	67%	0.673	56%	0.562	S	S	*	*	H	α-helix	trans	-64.6	-36.3	171.7	-90.5	178.3	163.1	0	0	112.2	K404 Q405 S412	K404-E408 PolarHBondContact O-N 2.79Å; Q405-E408 PolarHBondContact O-N 2.94Å; E408-S412 WeakPolarHBondContact O-CB 3.43Å; E408-S412 PolarHBondContact O-N 3.41Å; E408-S412 PolarHBondContact O-OG 3.03Å
409	K	37.7	Very low	37.8	Very low	129 Å²	129	108.8 Å²	108.8	56%	0.561	56%	0.558	S	S	*	*	H	α-helix	trans	-71.5	-46	-179.5	-157.3	174.1	-176.1	-175.7	0	111.9	Q405 S406 V407 L411 S412 E413	Q405-K409 WeakPolarHBondContact O-CB 3.41Å; Q405-K409 PolarHBondContact O-N 2.85Å; S406-K409 PolarHBondContact O-N 3.09Å; V407-K409 VanDerWaalsContact C-N 3.32Å; K409-L411 VanDerWaalsContact C-N 3.3Å; K409-L411 PolarHBondContact O-N 3.04Å; K409-S412 WeakPolarHBondContact CA-OG 3.44Å; K409-S412 PolarHBondContact O-N 3.12Å; K409-S412 VanDerWaalsContact O-N 3.13Å; K409-S412 PolarHBondContact O-OG 3.04Å; K409-E413 WeakPolarHBondContact O-CB 3.43Å; K409-E413 WeakPolarHBondContact O-CG 3.5Å; K409-E413 PolarHBondContact O-N 2.97Å
410	T	36.4	Very low	37.1	Very low	80 Å²	80	114.9 Å²	114.9	49%	0.491	57%	0.574	S	S	.	*	H	α-helix	trans	-62.7	-36.3	175.2	-50.2	0	0	0	0	111.6	S406 E414	S406-T410 WeakPolarHBondContact O-CB 3.44Å; S406-T410 PolarHBondContact O-N 2.87Å; S406-T410 PolarHBondContact O-OG1 2.96Å; T410-E414 PolarHBondContact O-N 2.86Å
411	L	35.7	Very low	36.1	Very low	90 Å²	90	114.6 Å²	114.6	47%	0.471	58%	0.579	S	S	.	*	H	α-helix	trans	-77.4	-22.9	175.8	-67.9	171.3	0	0	0	113.7	V407 K409 N415	V407-L411 HydrophobicContact CG1-CD1 3.88Å; V407-L411 WeakPolarHBondContact O-CB 3.39Å; V407-L411 WeakPolarHBondContact O-CD1 3.14Å; V407-L411 WeakPolarHBondContact O-CG 3.42Å; V407-L411 PolarHBondContact O-N 3.39Å; V407-L411 VanDerWaalsContact O-N 3.13Å; K409-L411 VanDerWaalsContact C-N 3.3Å; K409-L411 PolarHBondContact O-N 3.04Å; L411-N415 PolarHBondContact O-ND2 2.94Å
412	S	34.6	Very low	35.2	Very low	66 Å²	66	113 Å²	113	46%	0.462	59%	0.587	S	S	.	*	H	α-helix	trans	-77.4	-36.1	171.1	71.4	0	0	0	0	112.1	E408 K409 N415 S416	E408-S412 WeakPolarHBondContact O-CB 3.43Å; E408-S412 PolarHBondContact O-N 3.41Å; E408-S412 PolarHBondContact O-OG 3.03Å; K409-S412 WeakPolarHBondContact CA-OG 3.44Å; K409-S412 PolarHBondContact O-N 3.12Å; K409-S412 VanDerWaalsContact O-N 3.13Å; K409-S412 PolarHBondContact O-OG 3.04Å; S412-N415 PolarHBondContact O-N 3.36Å; S412-S416 PolarHBondContact O-N 3.05Å
413	E	31.4	Very low	34.2	Very low	107 Å²	107	117 Å²	117	50%	0.5	60%	0.601	S	S	.	*	H	α-helix	trans	-70.6	-35	179	-74.6	172.6	-175.8	0	0	111.8	K409 N415 S416	K409-E413 WeakPolarHBondContact O-CB 3.43Å; K409-E413 WeakPolarHBondContact O-CG 3.5Å; K409-E413 PolarHBondContact O-N 2.97Å; E413-N415 PolarHBondContact O-N 3.17Å; E413-S416 PolarHBondContact O-N 2.67Å; E413-S416 VanDerWaalsContact O-N 3.15Å; E413-S416 PolarHBondContact O-OG 3.43Å
414	E	31.3	Very low	33.3	Very low	149 Å²	149	119.8 Å²	119.8	70%	0.696	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-15	172.8	-75.4	-169.7	167.2	0	0	114	T410	T410-E414 PolarHBondContact O-N 2.86Å
415	N	30.2	Very low	32.4	Very low	145 Å²	145	119.5 Å²	119.5	78%	0.775	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	-3.9	174.5	-79.9	-61.8	0	0	0	113.8	L411 S412 E413	L411-N415 PolarHBondContact O-ND2 2.94Å; S412-N415 PolarHBondContact O-N 3.36Å; E413-N415 PolarHBondContact O-N 3.17Å
416	S	28.2	Very low	31.7	Very low	73 Å²	73	120.3 Å²	120.3	51%	0.51	64%	0.636	S	S	.	*			trans	-104.4	9.8	-174.9	71.5	0	0	0	0	115.2	S412 E413 E418	S412-S416 PolarHBondContact O-N 3.05Å; E413-S416 PolarHBondContact O-N 2.67Å; E413-S416 VanDerWaalsContact O-N 3.15Å; E413-S416 PolarHBondContact O-OG 3.43Å; S416-E418 PolarHBondContact O-N 3.07Å
417	D	28.6	Very low	30.7	Very low	151 Å²	151	125.2 Å²	125.2	81%	0.807	66%	0.658	S	S	*	*			trans	-70.2	72.9	164.4	-78.5	-16.9	0	0	0	109.3	F419	D417-F419 PolarHBondContact O-N 3.39Å
418	E	28	Very low	29.9	Very low	129 Å²	129	128.5 Å²	128.5	60%	0.603	67%	0.67	S	S	*	*			trans	-64.6	96.5	168.4	-84	-170.9	143.4	0	0	108.8	H45 S416 Y420	H45-E418 IonicContact CE1-OE1 3.22Å; H45-E418 PolarHBondContact CE1-OE1 3.43Å; H45-E418 VanDerWaalsContact CE1-OE1 3.31Å; H45-E418 IonicContact NE2-OE1 3.48Å; S416-E418 PolarHBondContact O-N 3.07Å; E418-Y420 PolarHBondContact O-N 3.23Å
419	F	28.1	Very low	29.1	Very low	124 Å²	124	128 Å²	128	54%	0.544	68%	0.677	S	S	.	*			trans	-68.2	110.7	170	-175.4	-90.4	0	0	0	109.7	D417 D421 K562	D417-F419 PolarHBondContact O-N 3.39Å; F419-D421 PolarHBondContact O-N 3.05Å; F419-K562 HydrophobicContact CE1-CD 3.65Å; F419-K562 HydrophobicContact CE1-CG 4.47Å; F419-K562 HydrophobicContact CZ-CB 4.07Å; F419-K562 HydrophobicContact CZ-CD 3.62Å; F419-K562 HydrophobicContact CZ-CG 3.96Å
420	Y	27.9	Very low	28.4	Very low	209 Å²	209	130.4 Å²	130.4	82%	0.82	69%	0.69	S	S	*	*			trans	-63	121.7	177.3	-70.3	-91	0	0	0	111.2	E418 A422	E418-Y420 PolarHBondContact O-N 3.23Å; Y420-A422 PolarHBondContact O-N 2.9Å
421	D	25.8	Very low	27.9	Very low	138 Å²	138	135.1 Å²	135.1	74%	0.738	71%	0.707	S	S	*	*			trans	-73.2	107.7	167	-80.8	-34.5	0	0	0	108.8	F419 M423	F419-D421 PolarHBondContact O-N 3.05Å; D421-M423 PolarHBondContact O-N 3.09Å
422	A	26	Very low	27.1	Very low	88 Å²	88	141.8 Å²	141.8	73%	0.727	73%	0.726	S	S	*	*			trans	-73	109.9	161.6	0	0	0	0	0	108.2	Y420	Y420-A422 PolarHBondContact O-N 2.9Å
423	M	24	Very low	26.6	Very low	172 Å²	172	146.5 Å²	146.5	85%	0.847	74%	0.74	S	S	*	*			trans	-54	136.2	163.1	-92.7	-176.5	-81.6	0	0	109.2	D421 N425	D421-M423 PolarHBondContact O-N 3.09Å; M423-N425 PolarHBondContact O-N 3.2Å
424	S	25.7	Very low	26.2	Very low	98 Å²	98	147.9 Å²	147.9	69%	0.685	75%	0.751	S	S	*	*			trans	-63.5	122.5	169.1	51.6	0	0	0	0	109	L426	S424-L426 PolarHBondContact O-N 3.16Å
425	N	27.5	Very low	25.9	Very low	157 Å²	157	147.8 Å²	147.8	84%	0.84	76%	0.755	S	S	*	*	S	Bend	trans	-72.2	60.6	171.4	-76.6	-25.1	0	0	0	111.7	M423	M423-N425 PolarHBondContact O-N 3.2Å
426	L	27.5	Very low	25.5	Very low	144 Å²	144	146 Å²	146	75%	0.754	75%	0.754	S	S	*	*	S	Bend	trans	-132.1	105.3	160.3	-75	165.8	0	0	0	104	S424	S424-L426 PolarHBondContact O-N 3.16Å
427	D	24.8	Very low	25.3	Very low	157 Å²	157	151 Å²	151	84%	0.84	77%	0.774	S	S	*	*			trans	107.1	69.1	-176.8	-57.3	-18.3	0	0	0	114.8
428	M	26.3	Very low	24.9	Very low	149 Å²	149	150 Å²	150	73%	0.734	77%	0.774	S	S	*	*			trans	-146.2	65.5	154.7	-80.5	-59	-61.1	0	0	109.6
429	T	24.4	Very low	24.7	Very low	133 Å²	133	149.4 Å²	149.4	82%	0.816	78%	0.784	S	S	*	*			trans	-97.1	130.5	145.1	45	0	0	0	0	106.5
430	E	24	Very low	24.4	Very low	179 Å²	179	149.1 Å²	149.1	84%	0.836	79%	0.792	S	S	*	*	S	Bend	trans	81.2	85	176.6	-53	-173.4	170.6	0	0	116.9
431	Q	25	Very low	24.3	Very low	180 Å²	180	147 Å²	147	84%	0.841	80%	0.795	S	S	*	*				177.7	93.5	118.8	-94	175.7	7.8	0	0	108.8
432	R	20	Very low	24.1	Very low	229 Å²	229	148.1 Å²	148.1	86%	0.864	80%	0.801	S	S	*	*			trans	-84.3	127.1	157.5	-70.8	-178.5	177.1	-172.2	-1	106.4
433	H	24.4	Very low	24	Very low	166 Å²	166	152.9 Å²	152.9	77%	0.769	81%	0.808	S	S	*	*			trans	158	128.8	134.1	-86.4	-67.9	0	0	0	112.4
434	N	23.2	Very low	24.2	Very low	136 Å²	136	150.6 Å²	150.6	73%	0.727	81%	0.806	S	S	*	*			trans	70.1	137.5	157.1	-57.9	3.3	0	0	0	116.7
435	D	24.3	Very low	24.1	Very low	146 Å²	146	155.1 Å²	155.1	78%	0.781	82%	0.818	S	S	*	*			cis	-157.9	158.1	8	-116.5	-32.8	0	0	0	110.8
436	S	21.4	Very low	24	Very low	107 Å²	107	153.9 Å²	153.9	75%	0.748	82%	0.816	S	S	*	*			trans	-76.6	129.3	174.3	-62.9	0	0	0	0	111.5
437	L	25	Very low	23.7	Very low	178 Å²	178	155.1 Å²	155.1	93%	0.932	82%	0.818	S	S	*	*			trans	-145.2	102.2	151.5	-82.2	179.3	0	0	0	110.8
438	V	20.6	Very low	23.6	Very low	132 Å²	132	156 Å²	156	80%	0.8	82%	0.82	S	S	*	*			trans	-72.7	130.2	154.7	171.1	0	0	0	0	107.4
439	S	23.6	Very low	23.7	Very low	116 Å²	116	154 Å²	154	81%	0.811	82%	0.818	S	S	*	*			trans	-164.3	120.9	143.5	-107.5	0	0	0	0	112.4
440	T	21.5	Very low	23.7	Very low	118 Å²	118	159.4 Å²	159.4	72%	0.724	82%	0.823	S	S	*	*			trans	-49.9	142.1	156	46.3	0	0	0	0	112.7
441	N	25.9	Very low	23.7	Very low	164 Å²	164	156.6 Å²	156.6	88%	0.877	82%	0.818	S	S	*	*			trans	-164.2	117.3	134.6	-100.2	-16.9	0	0	0	112.3
442	N	21.7	Very low	23.7	Very low	161 Å²	161	156.1 Å²	156.1	86%	0.861	82%	0.821	S	S	*	*			trans	-74.5	125	159.4	-77.9	-31.9	0	0	0	108.8
443	Q	24.2	Very low	23.7	Very low	189 Å²	189	152.7 Å²	152.7	88%	0.883	81%	0.814	S	S	*	*			trans	-149.7	140.2	143.9	-80.1	-156.4	-22.1	0	0	110.8
444	P	26.8	Very low	23.8	Very low	123 Å²	123	155.8 Å²	155.8	80%	0.799	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-89.2	136.7	-167.8	34.5	-31.9	0	0	0	112.4
445	M	25.1	Very low	23.8	Very low	193 Å²	193	155.8 Å²	155.8	95%	0.951	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-81.7	133	171.8	-87.6	-164.6	81.2	0	0	112.1
446	V	25.2	Very low	23.7	Very low	131 Å²	131	155 Å²	155	79%	0.794	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-61.7	131.6	-179.9	170.4	0	0	0	0	112.3
447	Q	20.8	Very low	24	Very low	171 Å²	171	154.2 Å²	154.2	80%	0.799	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-64.5	128.9	165.2	-116.8	174.6	-4.6	0	0	110.5
448	M	22.6	Very low	23.9	Very low	176 Å²	176	151.2 Å²	151.2	87%	0.867	82%	0.815	S	S	*	*			trans	-125	120	158.4	-91.9	-78.8	-112.5	0	0	108.7
449	P	27.4	Very low	24.3	Very low	106 Å²	106	152.5 Å²	152.5	69%	0.688	82%	0.816	S	S	*	*			trans	-89.3	135.3	-172.9	34	-30.8	0	0	0	110.7
450	R	25.3	Very low	24.4	Very low	247 Å²	247	152 Å²	152	93%	0.932	81%	0.811	S	S	*	*			trans	-124.1	98.8	157	-86.8	-173.5	178.2	155	0.4	109.2	L452	R450-L452 PolarHBondContact O-N 3.1Å
451	T	23	Very low	24.5	Very low	119 Å²	119	154.5 Å²	154.5	73%	0.73	82%	0.819	S	S	*	*			trans	-68	103.4	165.5	38.1	0	0	0	0	109.3	H453	T451-H453 PolarHBondContact O-N 2.94Å
452	L	25.4	Very low	24.6	Very low	171 Å²	171	151.1 Å²	151.1	90%	0.895	81%	0.809	S	S	*	*			trans	-86.8	102.1	161	-87.4	163.6	0	0	0	107.9	R450 Y454	R450-L452 PolarHBondContact O-N 3.1Å; L452-Y454 PolarHBondContact O-N 3.36Å
453	H	20.8	Very low	24.7	Very low	157 Å²	157	150.2 Å²	150.2	73%	0.727	80%	0.804	S	S	*	*			trans	-56.8	118.8	165.5	-77.4	-83.6	0	0	0	109.6	T451	T451-H453 PolarHBondContact O-N 2.94Å
454	Y	25.4	Very low	25	Very low	231 Å²	231	149.1 Å²	149.1	91%	0.906	80%	0.802	S	S	*	*			trans	-120.3	112.4	154.7	-131.5	-93.9	0	0	0	107.7	L452	L452-Y454 PolarHBondContact O-N 3.36Å
455	N	24.5	Very low	25.1	Very low	135 Å²	135	149 Å²	149	72%	0.722	80%	0.8	S	S	*	*			trans	-60.4	134	-176.7	-78.3	-27.9	0	0	0	110.7	S457	N455-S457 PolarHBondContact O-N 3.35Å
456	S	22.2	Very low	25.1	Very low	130 Å²	130	148 Å²	148	91%	0.909	79%	0.793	S	S	*	*			trans	-65.2	95.6	165.7	-165.3	0	0	0	0	108.5
457	S	26.8	Very low	25.4	Very low	91 Å²	91	148.2 Å²	148.2	64%	0.636	79%	0.794	S	S	*	*			trans	-107.4	105.5	163	59.8	0	0	0	0	108.1	N455 L459	N455-S457 PolarHBondContact O-N 3.35Å; S457-L459 PolarHBondContact O-N 2.88Å
458	S	23.9	Very low	25.7	Very low	114 Å²	114	143.3 Å²	143.3	80%	0.797	78%	0.779	S	S	*	*			trans	-28.3	118.7	161.2	50.5	0	0	0	0	113.9
459	L	27.6	Very low	26.2	Very low	159 Å²	159	138.7 Å²	138.7	83%	0.832	76%	0.763	S	S	*	*			trans	-129.9	148.6	154.5	-102.4	103	0	0	0	109.8	S457	S457-L459 PolarHBondContact O-N 2.88Å
460	P	27.2	Very low	26.5	Very low	107 Å²	107	136.6 Å²	136.6	70%	0.695	76%	0.755	S	S	*	*			trans	-93.2	153.6	-139.4	22	-10.5	0	0	0	113.9	S462	P460-S462 PolarHBondContact O-N 3.48Å
461	N	23.4	Very low	27.1	Very low	169 Å²	169	127.9 Å²	127.9	90%	0.904	73%	0.732	S	S	*	*			trans	-48.6	104.5	160.3	-77.4	-21.7	0	0	0	111
462	S	26.6	Very low	27.7	Very low	94 Å²	94	127.9 Å²	127.9	66%	0.657	73%	0.727	S	S	*	*			trans	169.9	104.4	143.5	53.5	0	0	0	0	109.1	P460	P460-S462 PolarHBondContact O-N 3.48Å
463	D	25.5	Very low	28.1	Very low	142 Å²	142	128.1 Å²	128.1	76%	0.759	72%	0.716	S	S	*	*			trans	154.2	96.4	130.3	-76.5	-16.4	0	0	0	107.2	T465	D463-T465 PolarHBondContact O-N 3.13Å
464	I	29.3	Very low	28.7	Very low	165 Å²	165	124.2 Å²	124.2	85%	0.846	71%	0.706	S	S	*	*			trans	-52.4	96.2	154.9	-64.6	166	0	0	0	104.5	Q466	I464-Q466 PolarHBondContact O-N 3.16Å
465	T	28.2	Very low	29	Very low	121 Å²	121	117.9 Å²	117.9	74%	0.742	69%	0.687	S	S	*	*			trans	-59.4	96	165	37.2	0	0	0	0	105.1	D463 V467	D463-T465 PolarHBondContact O-N 3.13Å; T465-V467 VanDerWaalsContact C-N 3.35Å; T465-V467 PolarHBondContact O-N 2.96Å
466	Q	25.6	Very low	29.6	Very low	173 Å²	173	116.8 Å²	116.8	81%	0.808	69%	0.685	S	S	*	*			trans	-46.7	110.7	161.6	-73	-176.9	-8.6	0	0	104.8	I464 S468	I464-Q466 PolarHBondContact O-N 3.16Å; Q466-S468 PolarHBondContact O-N 3.37Å
467	V	31.3	Very low	29.8	Very low	134 Å²	134	116.4 Å²	116.4	81%	0.812	67%	0.673	S	S	*	*			trans	-55.7	99.3	170.3	179.9	0	0	0	0	103.9	T465 S469	T465-V467 VanDerWaalsContact C-N 3.35Å; T465-V467 PolarHBondContact O-N 2.96Å; V467-S469 PolarHBondContact O-N 3.32Å
468	S	28.5	Very low	29.9	Very low	69 Å²	69	117.3 Å²	117.3	48%	0.483	67%	0.674	S	S	.	*			trans	-64.8	120.1	-172.2	74.7	0	0	0	0	105.2	Q466 A470 S471	Q466-S468 PolarHBondContact O-N 3.37Å; S468-A470 PolarHBondContact O-N 2.93Å; S468-S471 PolarHBondContact O-N 3.45Å
469	S	32.3	Very low	30.1	Very low	78 Å²	78	119.3 Å²	119.3	55%	0.545	67%	0.671	S	S	.	*	T	Hydrogen-bonded Turn	trans	-53.7	-5.8	171.3	50.4	0	0	0	0	112.6	V467 R473	V467-S469 PolarHBondContact O-N 3.32Å; S469-R473 VanDerWaalsContact O-CG 3.31Å; S469-R473 WeakPolarHBondContact O-CG 3.22Å; S469-R473 PolarHBondContact O-N 3.19Å
470	A	33.7	Very low	30.2	Very low	63 Å²	63	120.5 Å²	120.5	52%	0.521	67%	0.672	S	S	.	*	H	α-helix	trans	-64	-39.5	172.1	0	0	0	0	0	113.9	S468 L472 R473 S474	S468-A470 PolarHBondContact O-N 2.93Å; A470-L472 PolarHBondContact O-N 3Å; A470-R473 PolarHBondContact O-N 3.29Å; A470-S474 PolarHBondContact O-N 2.8Å
471	S	38.8	Very low	30	Very low	63 Å²	63	121.6 Å²	121.6	44%	0.441	68%	0.678	S	S	.	*	H	α-helix	trans	-64.7	-40.4	-179.4	-83.8	0	0	0	0	112.3	S468 S474	S468-S471 PolarHBondContact O-N 3.45Å; S471-S474 PolarHBondContact O-OG 3.4Å
472	L	35	Very low	30.2	Very low	119 Å²	119	118.8 Å²	118.8	62%	0.623	67%	0.671	S	S	*	*	H	α-helix	trans	-78.7	-26.6	179.9	-68.2	175.2	0	0	0	113.2	A470 S474 L475	A470-L472 PolarHBondContact O-N 3Å; L472-S474 VanDerWaalsContact C-N 3.26Å; L472-S474 PolarHBondContact O-N 3.01Å; L472-L475 HydrophobicContact CD2-CD1 4.08Å; L472-L475 PolarHBondContact O-N 3.43Å
473	R	33.7	Very low	30.1	Very low	177 Å²	177	120.4 Å²	120.4	67%	0.668	68%	0.677	S	S	*	*	H	α-helix	trans	-67.9	-24.1	173.5	-78.6	179.2	179.3	-173.1	0.9	113.1	S469 A470 L475 V476 N477	S469-R473 VanDerWaalsContact O-CG 3.31Å; S469-R473 WeakPolarHBondContact O-CG 3.22Å; S469-R473 PolarHBondContact O-N 3.19Å; A470-R473 PolarHBondContact O-N 3.29Å; R473-L475 PolarHBondContact O-N 3.25Å; R473-V476 PolarHBondContact O-N 3.25Å; R473-N477 PolarHBondContact O-N 3.44Å
474	S	33.1	Very low	30	Very low	74 Å²	74	119.5 Å²	119.5	52%	0.517	68%	0.681	S	S	.	*	H	α-helix	trans	-65	-22.6	172.6	79	0	0	0	0	113.5	A470 S471 L472	A470-S474 PolarHBondContact O-N 2.8Å; S471-S474 PolarHBondContact O-OG 3.4Å; L472-S474 VanDerWaalsContact C-N 3.26Å; L472-S474 PolarHBondContact O-N 3.01Å
475	L	32.3	Very low	29.9	Very low	98 Å²	98	114.8 Å²	114.8	51%	0.513	67%	0.673	S	S	.	*	H	α-helix	trans	-84.3	-21.1	177.8	-67.9	167	0	0	0	113.2	L472 R473	L472-L475 HydrophobicContact CD2-CD1 4.08Å; L472-L475 PolarHBondContact O-N 3.43Å; R473-L475 PolarHBondContact O-N 3.25Å
476	V	36.6	Very low	29.8	Very low	113 Å²	113	113.7 Å²	113.7	69%	0.685	67%	0.671	S	S	*	*	H	α-helix	trans	-87.7	-23.2	-179.5	-173.2	0	0	0	0	111.6	R473	R473-V476 PolarHBondContact O-N 3.25Å
477	N	26.8	Very low	29.8	Very low	122 Å²	122	112.1 Å²	112.1	65%	0.652	67%	0.668	S	S	*	*			trans	-100	23.5	-177.1	-70.5	3.1	0	0	0	114.5	R473 E479	R473-N477 PolarHBondContact O-N 3.44Å; N477-E479 PolarHBondContact O-N 3.17Å
478	V	29.7	Very low	29.6	Very low	109 Å²	109	113.9 Å²	113.9	66%	0.661	67%	0.672	S	S	*	*			trans	-76.5	66.2	154.3	-170.7	0	0	0	0	106.7	E480	V478-E480 PolarHBondContact O-N 3.4Å
479	E	27.4	Very low	29.4	Very low	157 Å²	157	119.5 Å²	119.5	73%	0.734	69%	0.691	S	S	*	*			trans	-59.6	121	163.6	-76.9	-177.1	157.5	0	0	106.2	N477 T481	N477-E479 PolarHBondContact O-N 3.17Å; E479-T481 VanDerWaalsContact C-N 3.35Å; E479-T481 PolarHBondContact O-N 3.39Å; E479-T481 PolarHBondContact O-OG1 2.97Å
480	E	28.9	Very low	29.2	Very low	183 Å²	183	123.4 Å²	123.4	86%	0.855	70%	0.704	S	S	*	*			trans	-51.9	103.6	171.5	-67.8	-178.2	158	0	0	107.1	V478 S482	V478-E480 PolarHBondContact O-N 3.4Å; E480-S482 PolarHBondContact O-N 2.99Å
481	T	24.4	Very low	28.8	Very low	131 Å²	131	125.5 Å²	125.5	80%	0.804	71%	0.713	S	S	*	*			trans	-71.1	84.2	176.6	-22.3	0	0	0	0	105.9	E479 V483	E479-T481 VanDerWaalsContact C-N 3.35Å; E479-T481 PolarHBondContact O-N 3.39Å; E479-T481 PolarHBondContact O-OG1 2.97Å; T481-V483 PolarHBondContact O-N 3.21Å
482	S	26	Very low	28.2	Very low	109 Å²	109	130.5 Å²	130.5	76%	0.762	74%	0.735	S	S	*	*			trans	-61.6	92.1	165	45.4	0	0	0	0	106.1	E480 S484	E480-S482 PolarHBondContact O-N 2.99Å; S482-S484 VanDerWaalsContact C-N 3.31Å; S482-S484 PolarHBondContact O-N 3.08Å
483	V	25.8	Very low	27.8	Very low	128 Å²	128	127.5 Å²	127.5	78%	0.776	73%	0.732	S	S	*	*			trans	-62	100.7	170.7	177.3	0	0	0	0	106.2	T481 G485	T481-V483 PolarHBondContact O-N 3.21Å; V483-G485 PolarHBondContact O-N 2.83Å
484	S	23	Very low	27.4	Very low	123 Å²	123	130.3 Å²	130.3	86%	0.86	74%	0.744	S	S	*	*			trans	-64.4	86.1	165.9	-164.1	0	0	0	0	107.3	S482	S482-S484 VanDerWaalsContact C-N 3.31Å; S482-S484 PolarHBondContact O-N 3.08Å
485	G	27.3	Very low	27.1	Very low	66 Å²	66	132.5 Å²	132.5	68%	0.68	76%	0.755	S	S	*	*			trans	-94.8	97	171.3	0	0	0	0	0	108.2	V483	V483-G485 PolarHBondContact O-N 2.83Å
486	S	25.9	Very low	26.8	Very low	98 Å²	98	135.7 Å²	135.7	69%	0.685	77%	0.773	S	S	*	*			trans	-48.4	132.8	171.8	49.7	0	0	0	0	113.4
487	D	26.1	Very low	26.2	Very low	141 Å²	141	140.2 Å²	140.2	75%	0.754	78%	0.777	S	S	*	*			trans	43.8	94.1	137.4	-53.1	-24.7	0	0	0	118.5
488	L	26.9	Very low	26.1	Very low	171 Å²	171	141 Å²	141	90%	0.895	79%	0.787	S	S	*	*			trans	-135.3	95	134.5	-83.2	172.4	0	0	0	107	L490	L488-L490 PolarHBondContact O-N 3.45Å
489	E	24	Very low	26	Very low	186 Å²	186	141.3 Å²	141.3	87%	0.869	78%	0.784	S	S	*	*			trans	-56.4	113.8	169.2	-65.6	-173.4	150.4	0	0	109
490	L	28.3	Very low	26	Very low	160 Å²	160	140.4 Å²	140.4	84%	0.838	79%	0.789	S	S	*	*			trans	-86.3	142.8	162.2	-80.7	164.8	0	0	0	108.7	L488	L488-L490 PolarHBondContact O-N 3.45Å
491	P	25.9	Very low	26	Very low	107 Å²	107	139.8 Å²	139.8	70%	0.695	78%	0.784	S	S	*	*			trans	-76.6	133.2	-165.9	-8.8	26	0	0	0	112.2
492	N	25.9	Very low	26.1	Very low	169 Å²	169	139.7 Å²	139.7	90%	0.904	78%	0.784	S	S	*	*			trans	59.6	131.6	150.7	-59.9	-21.2	0	0	0	117.9
493	G	25.5	Very low	26.1	Very low	55 Å²	55	139.5 Å²	139.5	57%	0.567	78%	0.782	S	S	*	*			cis	178.1	105.3	5.9	0	0	0	0	0	108.1
494	Y	26.2	Very low	26.3	Very low	236 Å²	236	141.3 Å²	141.3	93%	0.925	78%	0.784	S	S	*	*			trans	-136.3	83.2	154.5	-76	-78.7	0	0	0	105.1	N496	Y494-N496 PolarHBondContact O-N 2.8Å
495	T	27	Very low	26.3	Very low	120 Å²	120	140.9 Å²	140.9	74%	0.736	78%	0.779	S	S	*	*			trans	-61.7	128.6	168.9	42.2	0	0	0	0	107.6	R497	T495-R497 PolarHBondContact O-N 3.23Å
496	N	24.3	Very low	26.2	Very low	166 Å²	166	142.6 Å²	142.6	89%	0.888	78%	0.78	S	S	*	*			trans	-53.5	90.7	168.2	-80.6	-27.6	0	0	0	108.7	Y494 T498	Y494-N496 PolarHBondContact O-N 2.8Å; N496-T498 PolarHBondContact O-N 3.44Å
497	R	25.1	Very low	26.2	Very low	208 Å²	208	144.5 Å²	144.5	79%	0.785	78%	0.783	S	S	*	*			trans	-77.4	106.4	161.8	-79.9	-172.2	173.8	-176.6	-1	106.1	T495 N499	T495-R497 PolarHBondContact O-N 3.23Å; R497-N499 PolarHBondContact O-N 2.97Å
498	T	24.6	Very low	26.1	Very low	138 Å²	138	140 Å²	140	85%	0.847	77%	0.769	S	S	*	*			trans	-55.1	89.7	158.6	4.6	0	0	0	0	107.1	N496 V500	N496-T498 PolarHBondContact O-N 3.44Å; T498-V500 PolarHBondContact O-N 3.29Å
499	N	28.5	Very low	26.2	Very low	115 Å²	115	141.3 Å²	141.3	62%	0.615	76%	0.764	S	S	*	*			trans	-67.2	116.7	175.9	-77.2	-15.8	0	0	0	107.9	R497 F501	R497-N499 PolarHBondContact O-N 2.97Å; N499-F501 PolarHBondContact O-N 2.99Å
500	V	26.5	Very low	26.2	Very low	138 Å²	138	137.6 Å²	137.6	84%	0.836	76%	0.756	S	S	*	*			trans	-67.5	111.2	166.9	176.8	0	0	0	0	106.2	T498 T502	T498-V500 PolarHBondContact O-N 3.29Å; V500-T502 PolarHBondContact O-N 2.76Å
501	F	29.7	Very low	26.1	Very low	171 Å²	171	136.2 Å²	136.2	75%	0.75	75%	0.749	S	S	*	*			trans	-67.2	120.2	-176.1	-65.2	-88.5	0	0	0	111.1	N499 S503	N499-F501 PolarHBondContact O-N 2.99Å; F501-S503 PolarHBondContact O-N 3.36Å
502	T	25.3	Very low	26	Very low	129 Å²	129	137 Å²	137	79%	0.791	75%	0.753	S	S	*	*			trans	-83.9	96	160.7	-43.4	0	0	0	0	107.3	V500 M504	V500-T502 PolarHBondContact O-N 2.76Å; T502-M504 PolarHBondContact O-N 2.85Å
503	S	26	Very low	26.1	Very low	105 Å²	105	138 Å²	138	73%	0.734	75%	0.745	S	S	*	*			trans	-65.9	125.2	172.5	54.6	0	0	0	0	109.7	F501	F501-S503 PolarHBondContact O-N 3.36Å
504	M	29.7	Very low	26	Very low	165 Å²	165	142.8 Å²	142.8	81%	0.813	76%	0.758	S	S	*	*			trans	-58.3	149.8	160.3	-75.5	-70.3	-179	0	0	109.3	T502 S506	T502-M504 PolarHBondContact O-N 2.85Å; M504-S506 PolarHBondContact O-N 2.99Å
505	P	24.4	Very low	25.9	Very low	115 Å²	115	140.4 Å²	140.4	75%	0.747	75%	0.752	S	S	*	*			trans	-59.2	110.5	175	-14.4	27.5	0	0	0	108.2	D507	P505-D507 PolarHBondContact O-N 2.97Å; P505-D507 VanDerWaalsContact O-N 3.14Å
506	S	24.9	Very low	25.9	Very low	101 Å²	101	141.9 Å²	141.9	71%	0.706	76%	0.755	S	S	*	*			trans	-60.8	113.6	154.5	-178.3	0	0	0	0	104.5	M504 G508	M504-S506 PolarHBondContact O-N 2.99Å; S506-G508 PolarHBondContact O-N 3.22Å; S506-G508 PolarHBondContact OG-N 2.81Å
507	D	25.8	Very low	26.2	Very low	139 Å²	139	140 Å²	140	74%	0.743	76%	0.755	S	S	*	*			trans	-64.1	67	150.2	-82	-28.4	0	0	0	106.7	P505 Y509	P505-D507 PolarHBondContact O-N 2.97Å; P505-D507 VanDerWaalsContact O-N 3.14Å; D507-Y509 VanDerWaalsContact C-N 3.27Å; D507-Y509 PolarHBondContact O-N 3.06Å
508	G	24.3	Very low	26.4	Very low	46 Å²	46	136.1 Å²	136.1	47%	0.474	76%	0.755	S	S	.	*			trans	-69.6	95.3	166.3	0	0	0	0	0	104.6	S506 P510	S506-G508 PolarHBondContact O-N 3.22Å; S506-G508 PolarHBondContact OG-N 2.81Å; G508-P510 WeakPolarHBondContact O-CD 3.39Å
509	Y	27.9	Very low	26.6	Very low	198 Å²	198	135.4 Å²	135.4	78%	0.776	75%	0.751	S	S	*	*			trans	-53	115.3	163.8	-76.1	-81.2	0	0	0	107.4	D507 N511	D507-Y509 VanDerWaalsContact C-N 3.27Å; D507-Y509 PolarHBondContact O-N 3.06Å; Y509-N511 PolarHBondContact O-N 2.83Å
510	P	25.1	Very low	26.7	Very low	109 Å²	109	138.3 Å²	138.3	71%	0.708	77%	0.766	S	S	*	*			trans	-68.4	109.5	179.1	-12.3	26.9	0	0	0	107.3	G508 T512	G508-P510 WeakPolarHBondContact O-CD 3.39Å; P510-T512 PolarHBondContact O-N 3.19Å
511	N	26	Very low	26.8	Very low	130 Å²	130	139.9 Å²	139.9	70%	0.695	77%	0.765	S	S	*	*			trans	-68.7	84.1	160.7	-85.4	-29.6	0	0	0	107.5	Y509 Y513	Y509-N511 PolarHBondContact O-N 2.83Å; N511-Y513 VanDerWaalsContact C-N 3.32Å; N511-Y513 PolarHBondContact O-N 3.04Å
512	T	23.8	Very low	26.9	Very low	125 Å²	125	139.5 Å²	139.5	77%	0.767	77%	0.765	S	S	*	*			trans	-65.2	96	165.8	26.8	0	0	0	0	107.9	P510 N514	P510-T512 PolarHBondContact O-N 3.19Å; T512-N514 VanDerWaalsContact C-N 3.26Å; T512-N514 PolarHBondContact O-N 3.03Å
513	Y	26.6	Very low	27.2	Very low	188 Å²	188	140.8 Å²	140.8	74%	0.737	77%	0.767	S	S	*	*			trans	-61.7	88.6	165.3	-82.6	-88	0	0	0	109.1	N511 K515	N511-Y513 VanDerWaalsContact C-N 3.32Å; N511-Y513 PolarHBondContact O-N 3.04Å; Y513-K515 PolarHBondContact O-N 3.48Å
514	N	24.7	Very low	27.8	Very low	157 Å²	157	142.3 Å²	142.3	84%	0.84	77%	0.767	S	S	*	*			trans	-76.7	103.5	160.7	-115.1	-11.2	0	0	0	107.6	T512	T512-N514 VanDerWaalsContact C-N 3.26Å; T512-N514 PolarHBondContact O-N 3.03Å
515	K	24.5	Very low	28.3	Very low	185 Å²	185	140.4 Å²	140.4	80%	0.804	76%	0.764	S	S	*	*			trans	-61.5	137.4	162.5	-80.7	178.9	175.6	175.5	0	107.6	Y513	Y513-K515 PolarHBondContact O-N 3.48Å
516	N	25.8	Very low	29.2	Very low	151 Å²	151	139 Å²	139	81%	0.807	75%	0.75	S	S	*	*			trans	99.6	95.9	173.9	-47.8	-15.6	0	0	0	113.7
517	S	31.2	Very low	29.8	Very low	127 Å²	127	142.5 Å²	142.5	89%	0.888	75%	0.753	S	S	*	*				-163.2	125.7	126.8	-96.2	0	0	0	0	110.7
518	T	28.5	Very low	30.5	Very low	127 Å²	127	147.6 Å²	147.6	78%	0.779	76%	0.763	S	S	*	*			trans	-73.2	143	175	35.4	0	0	0	0	111.7
519	T	29	Very low	32.2	Very low	122 Å²	122	149.2 Å²	149.2	75%	0.748	78%	0.78	S	S	*	*			trans	37.5	111.4	150.8	52	0	0	0	0	118.5
520	D	31.8	Very low	34.2	Very low	176 Å²	176	146 Å²	146	94%	0.941	77%	0.772	S	S	*	*			trans	-146.8	134	139.8	-93.2	-33.5	0	0	0	110.9
521	Q	28.1	Very low	37	Very low	172 Å²	172	144.9 Å²	144.9	80%	0.804	76%	0.763	S	S	*	*			trans	-90.1	151.5	-178.3	-69.2	176	-16.7	0	0	110.9
522	H	31.8	Very low	39.9	Very low	163 Å²	163	142.5 Å²	142.5	76%	0.755	74%	0.744	S	S	*	*			trans	61.7	91.6	155.5	-66.8	-57.4	0	0	0	119.2
523	N	32.1	Very low	43.2	Very low	156 Å²	156	145.8 Å²	145.8	83%	0.834	75%	0.748	S	S	*	*				173.6	96.1	123.3	-89.3	-19.5	0	0	0	108.5	T525	N523-T525 VanDerWaalsContact C-N 3.32Å; N523-T525 PolarHBondContact O-N 3.47Å
524	N	38.1	Very low	46.4	Very low	137 Å²	137	137.9 Å²	137.9	73%	0.733	72%	0.717	S	S	*	*			trans	-80.8	74.7	-174.5	-82	-10.2	0	0	0	111.9	D825	N524-D825 PolarHBondContact ND2-OD2 2.57Å; N524-D825 VanDerWaalsContact ND2-OD2 3.16Å
525	T	40.3	Very low	49.8	Very low	124 Å²	124	132.5 Å²	132.5	76%	0.761	69%	0.685	S	S	*	*			trans	-115.3	108.9	144.8	-42	0	0	0	0	104.8	N523 K527	N523-T525 VanDerWaalsContact C-N 3.32Å; N523-T525 PolarHBondContact O-N 3.47Å; T525-K527 PolarHBondContact O-N 3.28Å
526	L	43.7	Very low	53.2	Low	87 Å²	87	129.5 Å²	129.5	46%	0.455	68%	0.677	S	S	.	*			trans	-53.8	112.8	177.6	-73	166.4	0	0	0	107.8	Y528	L526-Y528 PolarHBondContact O-N 3.39Å
527	K	37.4	Very low	56.5	Low	173 Å²	173	124.4 Å²	124.4	75%	0.752	66%	0.657	S	S	*	*			trans	-61.4	137.2	172.2	-71.4	-171.3	177.1	-179.2	0	107.8	T525 G529 Q530	T525-K527 PolarHBondContact O-N 3.28Å; K527-G529 PolarHBondContact O-N 2.84Å; K527-G529 VanDerWaalsContact O-N 3.07Å; K527-Q530 PolarHBondContact O-N 3.04Å
528	Y	40.2	Very low	59.6	Low	246 Å²	246	119.1 Å²	119.1	97%	0.965	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-40.3	116.2	176.2	-96.9	-94.4	0	0	0	111	L526	L526-Y528 PolarHBondContact O-N 3.39Å
529	G	59.4	Low	62.7	Low	80 Å²	80	116.1 Å²	116.1	83%	0.825	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	103.9	-6.6	173.9	0	0	0	0	0	117.2	K527 V531	K527-G529 PolarHBondContact O-N 2.84Å; K527-G529 VanDerWaalsContact O-N 3.07Å; G529-V531 PolarHBondContact O-N 2.91Å
530	Q	70.6	Confident	65.7	Low	130 Å²	130	114.9 Å²	114.9	61%	0.607	59%	0.593	S	S	*	*			trans	-83.5	111.3	171	-76.9	-169.2	-23.2	0	0	111.3	K527	K527-Q530 PolarHBondContact O-N 3.04Å
531	V	82.6	Confident	68.3	Low	87 Å²	87	107.1 Å²	107.1	53%	0.527	55%	0.553	S	S	.	*			trans	-73.1	125.6	171	179.4	0	0	0	0	109.2	G529 K533 D639	G529-V531 PolarHBondContact O-N 2.91Å; V531-K533 PolarHBondContact O-N 2.61Å; V531-D639 HydrophobicContact CG1-CB 4.09Å
532	R	88	Confident	70.8	Confident	80 Å²	80	101.3 Å²	101.3	30%	0.302	53%	0.529	S	S	.	.			trans	-64.2	134	176.2	-177.1	-174.1	-70.2	166.3	-5.3	110.1	R534 D638 E824	R532-R534 PolarHBondContact O-N 3.18Å; R532-D638 VanDerWaalsContact CB-OD2 3.31Å; R532-D638 WeakPolarHBondContact CB-OD2 3.41Å; R532-D638 PolarHBondContact N-OD2 2.93Å; R532-E824 IonicContact CZ-OE2 2.69Å; R532-E824 IonicContact NH1-OE1 3.11Å; R532-E824 PolarHBondContact NH1-OE1 2.83Å; R532-E824 VanDerWaalsContact NH1-OE1 3.09Å; R532-E824 IonicContact NH1-OE2 2.93Å; R532-E824 PolarHBondContact NH1-OE2 2.96Å; R532-E824 IonicContact NH2-OE2 3.27Å; R532-E824 PolarHBondContact NH2-OE2 3.44Å
533	K	92.4	Very high	72.9	Confident	193 Å²	193	101.2 Å²	101.2	84%	0.839	53%	0.527	S	S	*	.			trans	-74.9	114.6	168.3	-174.1	-178.5	179.1	-175.1	0	109.3	V531	V531-K533 PolarHBondContact O-N 2.61Å
534	R	95.2	Very high	74.8	Confident	23 Å²	23	97.9 Å²	97.9	9%	0.087	51%	0.508	C	S	.	.			trans	-95.8	155.2	178.1	-54	-171.2	-175.9	-102.7	-3.7	112.1	R532 D635 R636 D638 D639 E819 E822	R532-R534 PolarHBondContact O-N 3.18Å; R534-D635 PolarHBondContact NH2-O 3.48Å; R534-R636 VanDerWaalsContact CZ-NE 3.27Å; R534-R636 VanDerWaalsContact NH2-CD 3.31Å; R534-D638 IonicContact NH2-OD1 2.92Å; R534-D638 PolarHBondContact NH2-OD1 2.93Å; R534-D638 VanDerWaalsContact NH2-OD1 3.11Å; R534-D639 IonicContact CZ-OD2 3.74Å; R534-D639 IonicContact NE-OD2 3.26Å; R534-D639 PolarHBondContact NE-OD2 2.84Å; R534-D639 VanDerWaalsContact NE-OD2 3.1Å; R534-D639 IonicContact NH2-OD1 2.58Å; R534-D639 IonicContact NH2-OD2 2.77Å; R534-E819 HydrophobicContact CB-CB 4.44Å; R534-E819 HydrophobicContact CB-CG 3.77Å; R534-E819 VanDerWaalsContact CD-OE2 3.3Å; R534-E819 WeakPolarHBondContact CD-OE2 3.44Å; R534-E822 WeakPolarHBondContact CA-OE2 3.3Å
535	R	95.8	Very high	75.9	Confident	44 Å²	44	96.4 Å²	96.4	17%	0.166	52%	0.515	C	S	.	.			trans	-65.5	148.6	178.7	71.7	-175.8	-176.2	164.1	12.8	111.6	I538 I818 E819 E822 E842	R535-I538 VanDerWaalsContact CZ-CG2 3.48Å; R535-I818 HydrophobicContact CG-CG2 4.07Å; R535-I818 PolarHBondContact NE-O 2.88Å; R535-I818 PolarHBondContact NH2-O 3.49Å; R535-E819 WeakPolarHBondContact O-CG 3.32Å; R535-E822 HydrophobicContact CG-CB 4.12Å; R535-E822 HydrophobicContact CG-CG 4.23Å; R535-E822 WeakPolarHBondContact CG-OE2 3.41Å; R535-E822 PolarHBondContact N-OE1 2.89Å; R535-E822 PolarHBondContact N-OE2 2.98Å; R535-E842 IonicContact CZ-OE1 3.47Å; R535-E842 VanDerWaalsContact CZ-OE1 3.3Å; R535-E842 IonicContact NH1-OE1 2.7Å; R535-E842 PolarHBondContact NH1-OE1 3.47Å; R535-E842 IonicContact NH1-OE2 3.22Å; R535-E842 PolarHBondContact NH1-OE2 2.77Å; R535-E842 IonicContact NH2-OE1 3.33Å; R535-E842 PolarHBondContact NH2-OE1 3.12Å
536	N	94.7	Very high	77.2	Confident	121 Å²	121	93.6 Å²	93.6	65%	0.647	50%	0.495	S	S	*	.			trans	-118.7	0.7	-178.6	67.5	-17.1	0	0	0	113.8
537	A	96.3	Very high	78.4	Confident	45 Å²	45	94.9 Å²	94.9	37%	0.372	50%	0.502	S	S	.	.			trans	-152.6	160	176.1	0	0	0	0	0	110.8	M810	A537-M810 HydrophobicContact CB-SD 3.92Å
538	I	95.5	Very high	80	Confident	15 Å²	15	88 Å²	88	8%	0.077	47%	0.474	C	S	.	.			trans	-126.6	167.1	169.7	57.9	171.7	0	0	0	109.2	R535 P572 M810 Y811 F813 I818	R535-I538 VanDerWaalsContact CZ-CG2 3.48Å; I538-P572 HydrophobicContact CD1-CG 4.42Å; I538-M810 HydrophobicContact CD1-CB 4.12Å; I538-M810 HydrophobicContact CG1-CB 3.79Å; I538-M810 HydrophobicContact CG1-CG 3.76Å; I538-M810 HydrophobicContact CG1-SD 3.93Å; I538-M810 PolarHBondContact N-SD 3.21Å; I538-M810 VanDerWaalsContact N-SD 3.41Å; I538-Y811 HydrophobicContact CD1-CD2 3.89Å; I538-Y811 HydrophobicContact CD1-CE2 4.2Å; I538-F813 HydrophobicContact CD1-CD2 3.71Å; I538-F813 HydrophobicContact CD1-CE2 3.82Å; I538-I818 HydrophobicContact CG2-CG2 4.33Å
539	P	94.2	Very high	81.4	Confident	64 Å²	64	79.1 Å²	79.1	42%	0.416	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-54.5	147.8	174.6	-25.8	36	0	0	0	112.4	S541 E842	P539-S541 PolarHBondContact O-N 2.85Å; P539-E842 WeakPolarHBondContact CB-O 3.44Å; P539-E842 WeakPolarHBondContact CG-O 3.3Å
540	V	91.5	Very high	81.9	Confident	96 Å²	96	76.8 Å²	76.8	58%	0.582	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-64	129.4	178.8	171.8	0	0	0	0	109.8	P542 D809	V540-P542 WeakPolarHBondContact O-CD 3.44Å; V540-D809 HydrophobicContact CG1-CB 4.09Å; V540-D809 HydrophobicContact CG2-CB 4.35Å
541	S	86.8	Confident	81.9	Confident	14 Å²	14	73 Å²	73	10%	0.098	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-64.9	128.5	174	59.7	0	0	0	0	111.3	P539 K543 D809	P539-S541 PolarHBondContact O-N 2.85Å; S541-K543 PolarHBondContact O-N 3.26Å; S541-D809 WeakPolarHBondContact CB-O 3.44Å; S541-D809 PolarHBondContact N-O 3.23Å; S541-D809 PolarHBondContact OG-O 3.43Å
542	P	80.7	Confident	81.4	Confident	49 Å²	49	69 Å²	69	32%	0.318	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-59.6	124.5	169.3	-25	33.7	0	0	0	111.6	V540 I544 W846	V540-P542 WeakPolarHBondContact O-CD 3.44Å; P542-I544 HydrophobicContact CB-CD1 4.41Å; P542-I544 HydrophobicContact CB-CG1 4.12Å; P542-I544 PolarHBondContact O-N 3.46Å; P542-I544 VanDerWaalsContact O-N 3.08Å; P542-W846 HydrophobicContact CB-CH2 4.11Å; P542-W846 HydrophobicContact CB-CZ2 4.01Å; P542-W846 HydrophobicContact CB-CZ3 4.44Å; P542-W846 HydrophobicContact CG-CD2 4.35Å; P542-W846 HydrophobicContact CG-CZ2 3.92Å; P542-W846 WeakPolarHBondContact O-CH2 3.13Å
543	K	76.3	Confident	80.5	Confident	161 Å²	161	70.3 Å²	70.3	70%	0.7	38%	0.381	S	S	*	.			trans	-84.1	78.9	177.4	-64.1	-174.7	-176.8	173.8	0	110.4	S541 D809	S541-K543 PolarHBondContact O-N 3.26Å; K543-D809 VanDerWaalsContact CE-OD1 3.28Å; K543-D809 WeakPolarHBondContact CE-OD1 3.38Å; K543-D809 IonicContact NZ-OD1 3.05Å; K543-D809 PolarHBondContact NZ-OD1 3.03Å
544	I	70.3	Confident	79.3	Confident	87 Å²	87	67 Å²	67	45%	0.446	37%	0.372	S	S	.	.			trans	-95	124.2	177.1	-51.8	-169.6	0	0	0	109.7	P542 L546 W846	P542-I544 HydrophobicContact CB-CD1 4.41Å; P542-I544 HydrophobicContact CB-CG1 4.12Å; P542-I544 PolarHBondContact O-N 3.46Å; P542-I544 VanDerWaalsContact O-N 3.08Å; I544-L546 HydrophobicContact CG2-CD2 3.78Å; I544-L546 HydrophobicContact CG2-CG 4.2Å; I544-L546 PolarHBondContact O-N 2.97Å; I544-W846 HydrophobicContact CB-CZ3 4.01Å; I544-W846 HydrophobicContact CD1-CE3 3.5Å; I544-W846 HydrophobicContact CD1-CH2 4.44Å; I544-W846 HydrophobicContact CD1-CZ3 3.42Å; I544-W846 VanDerWaalsContact CD1-CZ3 3.42Å; I544-W846 HydrophobicContact CG1-CE3 4.28Å; I544-W846 HydrophobicContact CG1-CH2 4.36Å; I544-W846 HydrophobicContact CG1-CZ3 3.7Å
545	A	61.8	Low	77.9	Confident	105 Å²	105	65.9 Å²	65.9	87%	0.868	37%	0.368	S	S	*	.			trans	-73	119	171.1	0	0	0	0	0	109.6
546	L	67	Low	76.4	Confident	66 Å²	66	67.8 Å²	67.8	35%	0.346	38%	0.381	S	S	.	.			trans	-122.3	141.4	-178	-55.8	160.6	0	0	0	111	I544 L548 N568 F569	I544-L546 HydrophobicContact CG2-CD2 3.78Å; I544-L546 HydrophobicContact CG2-CG 4.2Å; I544-L546 PolarHBondContact O-N 2.97Å; L546-L548 PolarHBondContact O-N 2.9Å; L546-N568 HydrophobicContact CD1-CB 3.32Å; L546-N568 WeakPolarHBondContact CD1-O 3.35Å; L546-N568 HydrophobicContact CD2-CB 3.94Å; L546-N568 HydrophobicContact CG-CB 4.24Å; L546-F569 HydrophobicContact CB-CE1 3.65Å; L546-F569 HydrophobicContact CB-CE2 3.9Å; L546-F569 HydrophobicContact CB-CZ 3.26Å; L546-F569 HydrophobicContact CD1-CD1 4.12Å; L546-F569 HydrophobicContact CD1-CD2 4Å; L546-F569 HydrophobicContact CD1-CE1 3.94Å; L546-F569 HydrophobicContact CD1-CE2 3.79Å; L546-F569 HydrophobicContact CD1-CG 4.17Å; L546-F569 HydrophobicContact CD1-CZ 3.82Å; L546-F569 HydrophobicContact CG-CE1 4.48Å; L546-F569 HydrophobicContact CG-CE2 4.31Å; L546-F569 HydrophobicContact CG-CZ 4.11Å
547	N	70.1	Confident	74.9	Confident	113 Å²	113	65.5 Å²	65.5	60%	0.604	39%	0.386	S	S	*	.			trans	-92.9	88.2	175.6	-175.2	-3	0	0	0	110.9	W549 G550	N547-W549 VanDerWaalsContact C-N 3.29Å; N547-W549 PolarHBondContact O-N 3.13Å; N547-W549 PolarHBondContact OD1-N 2.96Å; N547-G550 PolarHBondContact O-N 2.84Å; N547-G550 VanDerWaalsContact O-N 3.15Å; N547-G550 PolarHBondContact OD1-N 3.16Å; N547-G550 VanDerWaalsContact OD1-N 3.1Å
548	L	71.3	Confident	73.4	Confident	30 Å²	30	69.8 Å²	69.8	16%	0.157	40%	0.396	C	S	.	.	H	α-helix	trans	-56	-43.3	178.7	-175.8	56.1	0	0	0	112.3	L546 G550 I551 I552 F569 L714 I719	L546-L548 PolarHBondContact O-N 2.9Å; L548-G550 VanDerWaalsContact C-N 3.26Å; L548-G550 PolarHBondContact O-N 2.94Å; L548-I551 WeakPolarHBondContact O-CB 3.23Å; L548-I551 PolarHBondContact O-N 3.31Å; L548-I552 HydrophobicContact CD1-CG2 3.92Å; L548-I552 HydrophobicContact CG-CD1 4.2Å; L548-I552 HydrophobicContact CG-CG2 4.38Å; L548-I552 WeakPolarHBondContact O-CG1 3.1Å; L548-I552 PolarHBondContact O-N 2.97Å; L548-F569 HydrophobicContact CB-CD1 4.45Å; L548-F569 HydrophobicContact CB-CE1 3.63Å; L548-F569 HydrophobicContact CB-CZ 4.09Å; L548-F569 HydrophobicContact CD1-CD1 3.85Å; L548-F569 HydrophobicContact CD1-CE1 3.71Å; L548-F569 HydrophobicContact CD1-CG 4.36Å; L548-F569 HydrophobicContact CD1-CZ 4.09Å; L548-F569 HydrophobicContact CG-CE1 4.17Å; L548-L714 HydrophobicContact CD2-CD2 3.54Å; L548-I719 HydrophobicContact CD2-CD1 3.7Å
549	W	69.7	Low	71.9	Confident	59 Å²	59	72.5 Å²	72.5	22%	0.223	41%	0.411	C	S	.	.	H	α-helix	trans	-58.7	-38.3	179.1	179	-118.8	0	0	0	112.6	N547 I551 I552 K553 I556 F679 I715	N547-W549 VanDerWaalsContact C-N 3.29Å; N547-W549 PolarHBondContact O-N 3.13Å; N547-W549 PolarHBondContact OD1-N 2.96Å; W549-I551 PolarHBondContact O-N 3.31Å; W549-I552 HydrophobicContact CE3-CD1 4.28Å; W549-I552 HydrophobicContact CE3-CG1 3.97Å; W549-I552 PolarHBondContact O-N 3.27Å; W549-K553 HydrophobicContact CD2-CB 4.18Å; W549-K553 HydrophobicContact CE3-CB 4.47Å; W549-K553 HydrophobicContact CH2-CB 4.44Å; W549-K553 HydrophobicContact CZ2-CB 4.08Å; W549-K553 VanDerWaalsContact O-CB 3.28Å; W549-K553 WeakPolarHBondContact O-CB 3.5Å; W549-K553 PolarHBondContact O-N 3.48Å; W549-I556 HydrophobicContact CH2-CD1 3.64Å; W549-I556 HydrophobicContact CH2-CG1 4.35Å; W549-I556 HydrophobicContact CZ2-CD1 4.38Å; W549-I556 HydrophobicContact CZ3-CD1 4.34Å; W549-F679 HydrophobicContact CE3-CZ 4.5Å; W549-F679 AromaticContact CZ3-CZ 3.86Å; W549-F679 HydrophobicContact CZ3-CZ 3.86Å; W549-I715 HydrophobicContact CD2-CB 4.26Å; W549-I715 HydrophobicContact CD2-CD1 4.28Å; W549-I715 HydrophobicContact CD2-CG1 3.92Å; W549-I715 HydrophobicContact CD2-CG2 3.83Å; W549-I715 HydrophobicContact CE3-CB 4.25Å; W549-I715 HydrophobicContact CE3-CD1 3.84Å; W549-I715 HydrophobicContact CE3-CG1 3.45Å; W549-I715 VanDerWaalsContact CE3-CG1 3.45Å; W549-I715 HydrophobicContact CE3-CG2 4.28Å; W549-I715 HydrophobicContact CG-CG2 3.97Å; W549-I715 HydrophobicContact CH2-CD1 3.37Å; W549-I715 HydrophobicContact CH2-CG1 4Å; W549-I715 HydrophobicContact CZ2-CD1 3.9Å; W549-I715 HydrophobicContact CZ2-CG1 4.46Å; W549-I715 HydrophobicContact CZ2-CG2 4.37Å; W549-I715 HydrophobicContact CZ3-CD1 3.33Å; W549-I715 HydrophobicContact CZ3-CG1 3.47Å; W549-I715 VanDerWaalsContact CZ3-CG1 3.47Å
550	G	69.4	Low	70.4	Confident	30 Å²	30	70.1 Å²	70.1	31%	0.309	39%	0.394	S	S	.	.	H	α-helix	trans	-54.3	-34	175.4	0	0	0	0	0	113.3	N547 L548	N547-G550 PolarHBondContact O-N 2.84Å; N547-G550 VanDerWaalsContact O-N 3.15Å; N547-G550 PolarHBondContact OD1-N 3.16Å; N547-G550 VanDerWaalsContact OD1-N 3.1Å; L548-G550 VanDerWaalsContact C-N 3.26Å; L548-G550 PolarHBondContact O-N 2.94Å
551	I	70.7	Confident	69.1	Low	50 Å²	50	67.9 Å²	67.9	26%	0.256	39%	0.386	S	S	.	.	H	α-helix	trans	-86.7	-45.2	-178.4	-62.3	157.8	0	0	0	111.1	L548 W549 I563 P566 F569	L548-I551 WeakPolarHBondContact O-CB 3.23Å; L548-I551 PolarHBondContact O-N 3.31Å; W549-I551 PolarHBondContact O-N 3.31Å; I551-I563 HydrophobicContact CG2-CG2 4.47Å; I551-P566 HydrophobicContact CD1-CG 3.9Å; I551-F569 HydrophobicContact CD1-CD2 4.15Å; I551-F569 HydrophobicContact CD1-CE2 3.18Å; I551-F569 HydrophobicContact CD1-CZ 3.61Å
552	I	72	Confident	68.1	Low	5 Å²	5	72 Å²	72	3%	0.026	40%	0.403	C	S	.	.	H	α-helix	trans	-88.4	-9.4	-172	69.5	174.2	0	0	0	114.4	L548 W549 N554 A555 L560 F679 L714	L548-I552 HydrophobicContact CD1-CG2 3.92Å; L548-I552 HydrophobicContact CG-CD1 4.2Å; L548-I552 HydrophobicContact CG-CG2 4.38Å; L548-I552 WeakPolarHBondContact O-CG1 3.1Å; L548-I552 PolarHBondContact O-N 2.97Å; W549-I552 HydrophobicContact CE3-CD1 4.28Å; W549-I552 HydrophobicContact CE3-CG1 3.97Å; W549-I552 PolarHBondContact O-N 3.27Å; I552-N554 PolarHBondContact O-N 3.31Å; I552-N554 VanDerWaalsContact O-N 3.11Å; I552-A555 HydrophobicContact CB-CB 4.46Å; I552-A555 WeakPolarHBondContact O-CA 3.34Å; I552-A555 WeakPolarHBondContact O-CB 3.48Å; I552-A555 PolarHBondContact O-N 2.83Å; I552-L560 HydrophobicContact CB-CD2 4.23Å; I552-L560 HydrophobicContact CG2-CD2 4.08Å; I552-F679 HydrophobicContact CB-CZ 4.41Å; I552-F679 HydrophobicContact CD1-CE1 4.5Å; I552-F679 HydrophobicContact CD1-CE2 3.7Å; I552-F679 HydrophobicContact CD1-CZ 3.58Å; I552-F679 HydrophobicContact CG1-CZ 3.93Å; I552-L714 HydrophobicContact CD1-CB 3.81Å; I552-L714 HydrophobicContact CD1-CD1 4.02Å; I552-L714 HydrophobicContact CD1-CG 4.38Å
553	K	69.7	Low	67.4	Low	106 Å²	106	71.5 Å²	71.5	46%	0.461	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-57.4	-30.2	-177.7	64.8	-177.6	-178.9	-179.3	0	113.6	W549 A555 I556	W549-K553 HydrophobicContact CD2-CB 4.18Å; W549-K553 HydrophobicContact CE3-CB 4.47Å; W549-K553 HydrophobicContact CH2-CB 4.44Å; W549-K553 HydrophobicContact CZ2-CB 4.08Å; W549-K553 VanDerWaalsContact O-CB 3.28Å; W549-K553 WeakPolarHBondContact O-CB 3.5Å; W549-K553 PolarHBondContact O-N 3.48Å; K553-A555 VanDerWaalsContact C-N 3.28Å; K553-I556 VanDerWaalsContact O-CD1 3.3Å; K553-I556 WeakPolarHBondContact O-CD1 3.34Å; K553-I556 VanDerWaalsContact O-CG1 3.31Å; K553-I556 WeakPolarHBondContact O-CG1 3.46Å
554	N	67	Low	67.1	Low	123 Å²	123	68.4 Å²	68.4	66%	0.658	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-81.2	-9.9	177.9	-67	-18.6	0	0	0	112.8	I552	I552-N554 PolarHBondContact O-N 3.31Å; I552-N554 VanDerWaalsContact O-N 3.11Å
555	A	65.2	Low	67.3	Low	0 Å²	0	65.5 Å²	65.5	0%	0	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-83.3	-9.1	178.1	0	0	0	0	0	114.9	I552 K553 G557 K558 L560 I563 F679	I552-A555 HydrophobicContact CB-CB 4.46Å; I552-A555 WeakPolarHBondContact O-CA 3.34Å; I552-A555 WeakPolarHBondContact O-CB 3.48Å; I552-A555 PolarHBondContact O-N 2.83Å; K553-A555 VanDerWaalsContact C-N 3.28Å; A555-G557 PolarHBondContact O-N 3.31Å; A555-K558 WeakPolarHBondContact O-CA 3.43Å; A555-K558 WeakPolarHBondContact O-CB 3.45Å; A555-K558 PolarHBondContact O-N 2.81Å; A555-L560 HydrophobicContact CB-CD2 3.38Å; A555-L560 HydrophobicContact CB-CG 4.29Å; A555-I563 VanDerWaalsContact CA-CD1 3.41Å; A555-I563 HydrophobicContact CB-CD1 3.04Å; A555-F679 HydrophobicContact CB-CD1 4.03Å; A555-F679 HydrophobicContact CB-CE1 4.21Å
556	I	64.7	Low	67.9	Low	85 Å²	85	62.6 Å²	62.6	44%	0.436	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	118.5	-170.9	-61.2	167.5	0	0	0	109.9	W549 K553 K558 F679	W549-I556 HydrophobicContact CH2-CD1 3.64Å; W549-I556 HydrophobicContact CH2-CG1 4.35Å; W549-I556 HydrophobicContact CZ2-CD1 4.38Å; W549-I556 HydrophobicContact CZ3-CD1 4.34Å; K553-I556 VanDerWaalsContact O-CD1 3.3Å; K553-I556 WeakPolarHBondContact O-CD1 3.34Å; K553-I556 VanDerWaalsContact O-CG1 3.31Å; K553-I556 WeakPolarHBondContact O-CG1 3.46Å; I556-K558 VanDerWaalsContact C-N 3.3Å; I556-F679 HydrophobicContact CB-CD1 4.43Å; I556-F679 HydrophobicContact CB-CE1 4.16Å; I556-F679 HydrophobicContact CG1-CD1 4.16Å; I556-F679 HydrophobicContact CG1-CE1 3.43Å; I556-F679 VanDerWaalsContact CG1-CE1 3.43Å; I556-F679 HydrophobicContact CG1-CZ 4.24Å
557	G	62.5	Low	68.6	Low	73 Å²	73	59.5 Å²	59.5	75%	0.753	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	-0.3	-177.9	0	0	0	0	0	115.5	A555	A555-G557 PolarHBondContact O-N 3.31Å
558	K	64.8	Low	69.1	Low	135 Å²	135	55.7 Å²	55.7	59%	0.587	31%	0.314	S	S	*	.	S	Bend	trans	-101.3	166.5	173.5	-60	-174.9	176	-172.8	0	110.9	A555 I556 L560	A555-K558 WeakPolarHBondContact O-CA 3.43Å; A555-K558 WeakPolarHBondContact O-CB 3.45Å; A555-K558 PolarHBondContact O-N 2.81Å; I556-K558 VanDerWaalsContact C-N 3.3Å; K558-L560 PolarHBondContact O-N 2.89Å
559	D	63.9	Low	69.6	Low	71 Å²	71	56.1 Å²	56.1	38%	0.38	31%	0.314	S	S	.	.			trans	-70.8	122.2	167	-172.7	-3.4	0	0	0	109.9	A561 K562 T677	D559-A561 PolarHBondContact O-N 3.26Å; D559-A561 VanDerWaalsContact OD1-CB 3.3Å; D559-A561 WeakPolarHBondContact OD1-CB 3.49Å; D559-A561 PolarHBondContact OD1-N 2.88Å; D559-K562 HydrophobicContact CB-CD 4.41Å; D559-K562 HydrophobicContact CB-CG 4.48Å; D559-K562 PolarHBondContact O-N 2.79Å; D559-T677 PolarHBondContact OD1-OG1 2.76Å
560	L	64.1	Low	70.6	Confident	14 Å²	14	53.6 Å²	53.6	7%	0.073	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-67.3	-21.3	177.1	-80.8	169.5	0	0	0	112.5	I552 A555 K558 K562 I563 F679 L684	I552-L560 HydrophobicContact CB-CD2 4.23Å; I552-L560 HydrophobicContact CG2-CD2 4.08Å; A555-L560 HydrophobicContact CB-CD2 3.38Å; A555-L560 HydrophobicContact CB-CG 4.29Å; K558-L560 PolarHBondContact O-N 2.89Å; L560-K562 PolarHBondContact O-N 2.82Å; L560-K562 VanDerWaalsContact O-N 3.11Å; L560-I563 HydrophobicContact CD2-CD1 4.41Å; L560-I563 PolarHBondContact O-N 2.91Å; L560-F679 HydrophobicContact CD1-CB 3.85Å; L560-F679 HydrophobicContact CD1-CD2 4.39Å; L560-F679 HydrophobicContact CD1-CG 4.17Å; L560-F679 HydrophobicContact CG-CB 4.09Å; L560-F679 HydrophobicContact CG-CG 4.49Å; L560-L684 HydrophobicContact CD1-CD1 3.38Å; L560-L684 HydrophobicContact CD1-CD2 3.62Å; L560-L684 HydrophobicContact CD1-CG 4Å
561	A	63.8	Low	71.7	Confident	50 Å²	50	52.3 Å²	52.3	41%	0.413	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-60.2	-20.9	176.2	0	0	0	0	0	112.7	D559	D559-A561 PolarHBondContact O-N 3.26Å; D559-A561 VanDerWaalsContact OD1-CB 3.3Å; D559-A561 WeakPolarHBondContact OD1-CB 3.49Å; D559-A561 PolarHBondContact OD1-N 2.88Å
562	K	64.4	Low	72.9	Confident	101 Å²	101	50 Å²	50	44%	0.439	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-86.7	-3.9	178.9	-65.3	177.2	167.8	-171.5	0	114	F419 D559 L560	F419-K562 HydrophobicContact CE1-CD 3.65Å; F419-K562 HydrophobicContact CE1-CG 4.47Å; F419-K562 HydrophobicContact CZ-CB 4.07Å; F419-K562 HydrophobicContact CZ-CD 3.62Å; F419-K562 HydrophobicContact CZ-CG 3.96Å; D559-K562 HydrophobicContact CB-CD 4.41Å; D559-K562 HydrophobicContact CB-CG 4.48Å; D559-K562 PolarHBondContact O-N 2.79Å; L560-K562 PolarHBondContact O-N 2.82Å; L560-K562 VanDerWaalsContact O-N 3.11Å
563	I	67.4	Low	74.1	Confident	38 Å²	38	49.7 Å²	49.7	20%	0.195	28%	0.278	C	S	.	.	S	Bend	trans	-107.5	122.9	-177.1	-67.2	169.3	0	0	0	109.7	I551 A555 L560 I565	I551-I563 HydrophobicContact CG2-CG2 4.47Å; A555-I563 VanDerWaalsContact CA-CD1 3.41Å; A555-I563 HydrophobicContact CB-CD1 3.04Å; L560-I563 HydrophobicContact CD2-CD1 4.41Å; L560-I563 PolarHBondContact O-N 2.91Å; I563-I565 PolarHBondContact O-N 2.88Å; I563-I565 VanDerWaalsContact O-N 3.11Å
564	P	69.1	Low	75.4	Confident	96 Å²	96	44.7 Å²	44.7	62%	0.623	26%	0.256	S	S	*	.			trans	-66.8	113.4	176	26.3	-31.5	0	0	0	109.5
565	I	74.5	Confident	76.8	Confident	26 Å²	26	40.5 Å²	40.5	13%	0.133	23%	0.232	C	C	.	.			trans	-90	129	172.7	-60.5	175	0	0	0	107.7	I563 F569 K622 K853	I563-I565 PolarHBondContact O-N 2.88Å; I563-I565 VanDerWaalsContact O-N 3.11Å; I565-F569 HydrophobicContact CG2-CB 3.73Å; I565-F569 HydrophobicContact CG2-CD2 3.92Å; I565-F569 HydrophobicContact CG2-CG 4.07Å; I565-K622 HydrophobicContact CD1-CD 4.1Å; I565-K853 PolarHBondContact O-NZ 2.62Å
566	P	74.1	Confident	78.3	Confident	44 Å²	44	40.5 Å²	40.5	29%	0.286	23%	0.232	S	C	.	.			trans	-55.9	147.9	174.9	-25	34.3	0	0	0	112.5	I551 N568 F569	I551-P566 HydrophobicContact CD1-CG 3.9Å; P566-N568 PolarHBondContact O-N 2.8Å; P566-F569 HydrophobicContact CB-CD2 4.31Å; P566-F569 HydrophobicContact CG-CD2 4.43Å; P566-F569 HydrophobicContact CG-CE2 4.37Å; P566-F569 PolarHBondContact O-N 2.84Å
567	V	82	Confident	79.9	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-58	-23.7	179.6	-61	0	0	0	0	112.7	F569 N570 F624 M841 W846 A849 N850 K853	V567-F569 PolarHBondContact O-N 2.89Å; V567-N570 VanDerWaalsContact O-CB 3.27Å; V567-N570 WeakPolarHBondContact O-CB 3.4Å; V567-N570 PolarHBondContact O-N 3.4Å; V567-F624 HydrophobicContact CB-CZ 4.32Å; V567-F624 HydrophobicContact CG1-CE1 4.01Å; V567-F624 HydrophobicContact CG1-CZ 4.11Å; V567-M841 HydrophobicContact CB-SD 4.13Å; V567-M841 VanDerWaalsContact O-CE 3.22Å; V567-M841 WeakPolarHBondContact O-CE 3.45Å; V567-M841 VanDerWaalsContact O-SD 3.38Å; V567-W846 HydrophobicContact CG2-CB 4.4Å; V567-A849 HydrophobicContact CG1-CB 4.48Å; V567-A849 HydrophobicContact CG2-CB 4.23Å; V567-N850 WeakPolarHBondContact CG1-OD1 3.49Å; V567-N850 HydrophobicContact CG2-CB 4.47Å; V567-N850 VanDerWaalsContact CG2-CG 3.4Å; V567-N850 WeakPolarHBondContact CG2-ND2 3.37Å; V567-N850 WeakPolarHBondContact CG2-OD1 3.44Å; V567-N850 PolarHBondContact N-OD1 2.96Å; V567-N850 VanDerWaalsContact N-OD1 3.08Å; V567-K853 HydrophobicContact CG1-CB 4.28Å; V567-K853 HydrophobicContact CG1-CD 3.55Å
568	N	80.9	Confident	81.6	Confident	34 Å²	34	34.6 Å²	34.6	18%	0.182	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-61.7	-18.6	-178.3	-50.5	43.2	0	0	0	113.7	L546 P566 W846 N850	L546-N568 HydrophobicContact CD1-CB 3.32Å; L546-N568 WeakPolarHBondContact CD1-O 3.35Å; L546-N568 HydrophobicContact CD2-CB 3.94Å; L546-N568 HydrophobicContact CG-CB 4.24Å; P566-N568 PolarHBondContact O-N 2.8Å; N568-W846 HydrophobicContact CB-CE3 3.76Å; N568-W846 HydrophobicContact CB-CH2 4.34Å; N568-W846 HydrophobicContact CB-CZ3 3.5Å; N568-W846 VanDerWaalsContact CB-CZ3 3.5Å; N568-N850 PolarHBondContact OD1-ND2 2.93Å
569	F	82.4	Confident	83.1	Confident	38 Å²	38	28.3 Å²	28.3	17%	0.167	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-92.8	-3.3	173.8	-67.9	-84.4	0	0	0	113.6	L546 L548 I551 I565 P566 V567 K622	L546-F569 HydrophobicContact CB-CE1 3.65Å; L546-F569 HydrophobicContact CB-CE2 3.9Å; L546-F569 HydrophobicContact CB-CZ 3.26Å; L546-F569 HydrophobicContact CD1-CD1 4.12Å; L546-F569 HydrophobicContact CD1-CD2 4Å; L546-F569 HydrophobicContact CD1-CE1 3.94Å; L546-F569 HydrophobicContact CD1-CE2 3.79Å; L546-F569 HydrophobicContact CD1-CG 4.17Å; L546-F569 HydrophobicContact CD1-CZ 3.82Å; L546-F569 HydrophobicContact CG-CE1 4.48Å; L546-F569 HydrophobicContact CG-CE2 4.31Å; L546-F569 HydrophobicContact CG-CZ 4.11Å; L548-F569 HydrophobicContact CB-CD1 4.45Å; L548-F569 HydrophobicContact CB-CE1 3.63Å; L548-F569 HydrophobicContact CB-CZ 4.09Å; L548-F569 HydrophobicContact CD1-CD1 3.85Å; L548-F569 HydrophobicContact CD1-CE1 3.71Å; L548-F569 HydrophobicContact CD1-CG 4.36Å; L548-F569 HydrophobicContact CD1-CZ 4.09Å; L548-F569 HydrophobicContact CG-CE1 4.17Å; I551-F569 HydrophobicContact CD1-CD2 4.15Å; I551-F569 HydrophobicContact CD1-CE2 3.18Å; I551-F569 HydrophobicContact CD1-CZ 3.61Å; I565-F569 HydrophobicContact CG2-CB 3.73Å; I565-F569 HydrophobicContact CG2-CD2 3.92Å; I565-F569 HydrophobicContact CG2-CG 4.07Å; P566-F569 HydrophobicContact CB-CD2 4.31Å; P566-F569 HydrophobicContact CG-CD2 4.43Å; P566-F569 HydrophobicContact CG-CE2 4.37Å; P566-F569 PolarHBondContact O-N 2.84Å; V567-F569 PolarHBondContact O-N 2.89Å; F569-K622 PolarHBondContact O-N 3.26Å; F569-K622 VanDerWaalsContact O-N 3.13Å
570	N	89.3	Confident	84.7	Confident	7 Å²	7	24.9 Å²	24.9	4%	0.037	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	168.8	-178	-72	7.6	0	0	0	111.8	V567 K622 F624 M841	V567-N570 VanDerWaalsContact O-CB 3.27Å; V567-N570 WeakPolarHBondContact O-CB 3.4Å; V567-N570 PolarHBondContact O-N 3.4Å; N570-K622 CarbonylContact C-O 3.55Å; N570-K622 WeakPolarHBondContact CA-O 3.47Å; N570-K622 VanDerWaalsContact CB-O 3.24Å; N570-K622 WeakPolarHBondContact CB-O 3.39Å; N570-K622 PolarHBondContact OD1-O 3.34Å; N570-F624 HydrophobicContact CB-CD2 4.15Å; N570-F624 HydrophobicContact CB-CE2 3.86Å; N570-F624 HydrophobicContact CB-CZ 4.33Å; N570-M841 VanDerWaalsContact C-CE 3.46Å; N570-M841 HydrophobicContact CB-CE 3.96Å; N570-M841 HydrophobicContact CB-SD 3.84Å; N570-M841 WeakPolarHBondContact O-CE 3.22Å
571	E	93	Very high	86.3	Confident	3 Å²	3	24.7 Å²	24.7	1%	0.014	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	154.2	155.6	57.7	-170.9	-165.3	0	0	108.9	L573 R578 R619 K622 P623 F624 F813	E571-L573 HydrophobicContact CG-CB 4.47Å; E571-L573 PolarHBondContact O-N 3.14Å; E571-R578 IonicContact OE1-CZ 3.76Å; E571-R578 IonicContact OE1-NH1 2.91Å; E571-R578 PolarHBondContact OE1-NH1 2.89Å; E571-R578 IonicContact OE2-NH1 3.95Å; E571-R578 PolarHBondContact OE2-NH1 3.24Å; E571-R619 IonicContact OE1-CZ 3.29Å; E571-R619 IonicContact OE1-NH2 3.35Å; E571-R619 PolarHBondContact OE1-NH2 2.64Å; E571-R619 IonicContact OE2-CZ 2.92Å; E571-R619 IonicContact OE2-NE 3.7Å; E571-R619 PolarHBondContact OE2-NE 3.26Å; E571-R619 IonicContact OE2-NH2 2.79Å; E571-R619 PolarHBondContact OE2-NH2 2.99Å; E571-K622 PolarHBondContact N-O 3.13Å; E571-P623 HydrophobicContact CG-CB 4.3Å; E571-F624 VanDerWaalsContact O-CD2 3.28Å; E571-F624 WeakPolarHBondContact O-CD2 3.21Å; E571-F624 WeakPolarHBondContact O-CE2 3.3Å; E571-F813 HydrophobicContact CB-CE1 3.92Å; E571-F813 HydrophobicContact CB-CZ 4Å
572	P	95.4	Very high	87.9	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	42.7	-177.4	33.2	-38.2	0	0	0	113.5	I538 Y811 F813 E842	I538-P572 HydrophobicContact CD1-CG 4.42Å; P572-Y811 HydrophobicContact CG-CD2 3.85Å; P572-Y811 HydrophobicContact CG-CE2 3.65Å; P572-F813 HydrophobicContact CG-CE2 4Å; P572-F813 HydrophobicContact CG-CZ 3.98Å; P572-E842 HydrophobicContact CB-CB 3.72Å; P572-E842 HydrophobicContact CB-CG 4.08Å; P572-E842 HydrophobicContact CG-CB 4.4Å; P572-E842 HydrophobicContact CG-CG 4.28Å
573	L	97.6	Very high	89.6	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144.1	174.6	-65.9	176.7	0	0	0	109.9	E571 Q577 P623 F624 F813 A817 L820 N821	E571-L573 HydrophobicContact CG-CB 4.47Å; E571-L573 PolarHBondContact O-N 3.14Å; L573-Q577 HydrophobicContact CB-CB 4.14Å; L573-Q577 HydrophobicContact CD2-CB 4.08Å; L573-Q577 HydrophobicContact CD2-CG 4.46Å; L573-P623 CarbonylContact O-C 3.03Å; L573-P623 VanDerWaalsContact O-CA 3.25Å; L573-P623 WeakPolarHBondContact O-CA 3.48Å; L573-P623 VanDerWaalsContact O-CB 3.3Å; L573-P623 WeakPolarHBondContact O-CB 3.44Å; L573-F624 PolarHBondContact O-N 2.84Å; L573-F813 HydrophobicContact CD1-CE1 4.06Å; L573-F813 HydrophobicContact CD1-CE2 3.93Å; L573-F813 HydrophobicContact CD1-CZ 3.57Å; L573-F813 HydrophobicContact CG-CE2 4Å; L573-F813 HydrophobicContact CG-CZ 3.68Å; L573-A817 HydrophobicContact CD1-CB 4.41Å; L573-L820 HydrophobicContact CD1-CD1 4.29Å; L573-L820 HydrophobicContact CD2-CB 3.93Å; L573-N821 HydrophobicContact CD2-CB 3.79Å
574	S	97	Very high	91	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	164.6	170.2	81.2	0	0	0	0	110.5	L576 Q577 R578 F624 E630 S832	S574-L576 PolarHBondContact O-N 3.24Å; S574-L576 PolarHBondContact OG-N 3.38Å; S574-Q577 PolarHBondContact O-N 2.96Å; S574-Q577 PolarHBondContact OG-N 3.33Å; S574-Q577 PolarHBondContact OG-OE1 3.38Å; S574-R578 PolarHBondContact O-N 3.4Å; S574-F624 CarbonylContact C-O 3.39Å; S574-F624 WeakPolarHBondContact CA-O 3.44Å; S574-E630 VanDerWaalsContact CB-OE1 3.23Å; S574-E630 WeakPolarHBondContact CB-OE1 3.19Å; S574-E630 PolarHBondContact OG-OE1 2.84Å; S574-S832 WeakPolarHBondContact OG-CB 3.18Å; S574-S832 PolarHBondContact OG-OG 2.92Å
575	F	95.7	Very high	92.4	Very high	35 Å²	35	13.2 Å²	13.2	15%	0.154	7%	0.067	C	C	.	.	H	α-helix	trans	-62.3	-33.7	173.6	-176.3	-106.5	0	0	0	112.1	Q577 R578 A579 P623 F624 S626 C656 Y673 L675	F575-Q577 VanDerWaalsContact C-N 3.34Å; F575-Q577 PolarHBondContact O-N 2.85Å; F575-R578 PolarHBondContact O-N 3.33Å; F575-A579 WeakPolarHBondContact O-CB 3.37Å; F575-A579 PolarHBondContact O-N 3.2Å; F575-P623 HydrophobicContact CB-CG 4.46Å; F575-P623 HydrophobicContact CD2-CG 4.09Å; F575-F624 PolarHBondContact N-O 3.18Å; F575-S626 PolarHBondContact N-OG 3.43Å; F575-C656 WeakPolarHBondContact CE1-SG 3.3Å; F575-Y673 HydrophobicContact CE1-CD2 4.47Å; F575-Y673 HydrophobicContact CE1-CG 4.03Å; F575-Y673 HydrophobicContact CZ-CD1 4.02Å; F575-Y673 AromaticContact CZ-CG 3.99Å; F575-Y673 HydrophobicContact CZ-CG 3.99Å; F575-L675 HydrophobicContact CD2-CD1 4.25Å; F575-L675 HydrophobicContact CE1-CD1 4.31Å; F575-L675 HydrophobicContact CE2-CD1 3.71Å; F575-L675 HydrophobicContact CZ-CD1 3.75Å; F575-L675 HydrophobicContact CZ-CD2 4.12Å; F575-L675 HydrophobicContact CZ-CG 4.12Å
576	L	98.4	Very high	93.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-61.9	-41.9	174.9	-55.8	-175.7	0	0	0	112	S574 A579 V580 S626 E630 C656	S574-L576 PolarHBondContact O-N 3.24Å; S574-L576 PolarHBondContact OG-N 3.38Å; L576-A579 PolarHBondContact O-N 2.86Å; L576-V580 PolarHBondContact O-N 3.11Å; L576-S626 WeakPolarHBondContact CG-OG 3.49Å; L576-S626 PolarHBondContact N-OG 2.97Å; L576-E630 HydrophobicContact CD1-CB 4.25Å; L576-E630 HydrophobicContact CD1-CG 4.13Å; L576-E630 VanDerWaalsContact CD1-O 3.27Å; L576-E630 WeakPolarHBondContact CD1-O 3.33Å; L576-C656 HydrophobicContact CD2-CB 3.35Å
577	Q	98.5	Very high	94.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-65.1	-43.8	173.7	-73.8	168.4	-56.3	0	0	111.1	L573 S574 F575 A579 V580 E581 Y632 L820 N821	L573-Q577 HydrophobicContact CB-CB 4.14Å; L573-Q577 HydrophobicContact CD2-CB 4.08Å; L573-Q577 HydrophobicContact CD2-CG 4.46Å; S574-Q577 PolarHBondContact O-N 2.96Å; S574-Q577 PolarHBondContact OG-N 3.33Å; S574-Q577 PolarHBondContact OG-OE1 3.38Å; F575-Q577 VanDerWaalsContact C-N 3.34Å; F575-Q577 PolarHBondContact O-N 2.85Å; Q577-A579 VanDerWaalsContact C-N 3.26Å; Q577-A579 PolarHBondContact O-N 3.44Å; Q577-V580 PolarHBondContact O-N 2.95Å; Q577-V580 VanDerWaalsContact O-N 3.12Å; Q577-E581 PolarHBondContact O-N 2.92Å; Q577-Y632 HydrophobicContact CB-CD1 4.41Å; Q577-Y632 HydrophobicContact CB-CE1 4.29Å; Q577-Y632 HydrophobicContact CG-CD1 3.78Å; Q577-Y632 HydrophobicContact CG-CD2 3.65Å; Q577-Y632 HydrophobicContact CG-CE1 3.72Å; Q577-Y632 HydrophobicContact CG-CE2 3.58Å; Q577-Y632 HydrophobicContact CG-CG 3.75Å; Q577-L820 HydrophobicContact CB-CD1 4.4Å; Q577-L820 PolarHBondContact NE2-O 2.74Å; Q577-L820 WeakPolarHBondContact O-CD1 3.27Å; Q577-N821 PolarHBondContact NE2-OD1 3.13Å; Q577-N821 VanDerWaalsContact NE2-OD1 3.11Å
578	R	96.4	Very high	95.6	Very high	34 Å²	34	13.7 Å²	13.7	13%	0.128	7%	0.065	C	C	.	.	H	α-helix	trans	-60.3	-35.9	176.3	-175.3	58.7	178.5	-101.4	6.4	112.4	E571 S574 F575 E581 S615 P623	E571-R578 IonicContact OE1-CZ 3.76Å; E571-R578 IonicContact OE1-NH1 2.91Å; E571-R578 PolarHBondContact OE1-NH1 2.89Å; E571-R578 IonicContact OE2-NH1 3.95Å; E571-R578 PolarHBondContact OE2-NH1 3.24Å; S574-R578 PolarHBondContact O-N 3.4Å; F575-R578 PolarHBondContact O-N 3.33Å; R578-E581 WeakPolarHBondContact CD-OE1 3.01Å; R578-E581 IonicContact NE-OE1 2.87Å; R578-E581 WeakPolarHBondContact O-CB 3.2Å; R578-E581 PolarHBondContact O-N 3.31Å; R578-S615 PolarHBondContact NH2-OG 3.1Å; R578-P623 HydrophobicContact CB-CB 4.16Å; R578-P623 HydrophobicContact CB-CG 4.22Å; R578-P623 HydrophobicContact CG-CG 4.29Å
579	A	97	Very high	96.4	Very high	3 Å²	3	12 Å²	12	3%	0.025	6%	0.056	C	C	.	.	H	α-helix	trans	-66	-37.6	175.7	0	0	0	0	0	112.2	F575 L576 Q577 E581 D582 Y673	F575-A579 WeakPolarHBondContact O-CB 3.37Å; F575-A579 PolarHBondContact O-N 3.2Å; L576-A579 PolarHBondContact O-N 2.86Å; Q577-A579 VanDerWaalsContact C-N 3.26Å; Q577-A579 PolarHBondContact O-N 3.44Å; A579-E581 PolarHBondContact O-N 3.47Å; A579-D582 WeakPolarHBondContact O-CB 3.18Å; A579-D582 PolarHBondContact O-N 3.32Å; A579-Y673 HydrophobicContact CB-CD2 4.26Å; A579-Y673 HydrophobicContact CB-CE2 3.67Å
580	V	98.4	Very high	97.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.2	-23	176	169.8	0	0	0	0	112.7	L576 Q577 D582 F583 Y632 C634 W642 C644 Q658 F816 L820	L576-V580 PolarHBondContact O-N 3.11Å; Q577-V580 PolarHBondContact O-N 2.95Å; Q577-V580 VanDerWaalsContact O-N 3.12Å; V580-D582 PolarHBondContact O-N 3.04Å; V580-D582 VanDerWaalsContact O-N 3.12Å; V580-F583 PolarHBondContact O-N 2.9Å; V580-Y632 HydrophobicContact CB-CD1 4.34Å; V580-Y632 HydrophobicContact CB-CE1 3.94Å; V580-Y632 HydrophobicContact CG1-CE1 4.17Å; V580-Y632 HydrophobicContact CG2-CD1 3.64Å; V580-Y632 HydrophobicContact CG2-CE1 3.67Å; V580-C634 HydrophobicContact CG1-CB 3.7Å; V580-C634 HydrophobicContact CG2-CB 4.37Å; V580-W642 HydrophobicContact CG1-CH2 4.16Å; V580-C644 HydrophobicContact CG2-CB 4.5Å; V580-Q658 VanDerWaalsContact CG2-NE2 3.25Å; V580-F816 HydrophobicContact CG1-CE1 4.2Å; V580-F816 HydrophobicContact CG1-CZ 4.11Å; V580-L820 HydrophobicContact CG1-CD2 4.03Å
581	E	97.4	Very high	97.6	Very high	9 Å²	9	15.5 Å²	15.5	4%	0.042	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-60.6	-19.7	175.7	-67.2	-170.5	-124.6	0	0	114.5	Q577 R578 A579 F583 T584 R619 F816 L820	Q577-E581 PolarHBondContact O-N 2.92Å; R578-E581 WeakPolarHBondContact CD-OE1 3.01Å; R578-E581 IonicContact NE-OE1 2.87Å; R578-E581 WeakPolarHBondContact O-CB 3.2Å; R578-E581 PolarHBondContact O-N 3.31Å; A579-E581 PolarHBondContact O-N 3.47Å; E581-F583 PolarHBondContact O-N 2.73Å; E581-F583 VanDerWaalsContact O-N 3.09Å; E581-T584 WeakPolarHBondContact O-CB 3.43Å; E581-T584 PolarHBondContact O-N 2.75Å; E581-T584 PolarHBondContact O-OG1 3.14Å; E581-R619 IonicContact OE1-CZ 3.77Å; E581-R619 VanDerWaalsContact OE1-CZ 3.28Å; E581-R619 IonicContact OE1-NH1 3.86Å; E581-R619 PolarHBondContact OE1-NH1 3.1Å; E581-R619 IonicContact OE1-NH2 3.55Å; E581-R619 PolarHBondContact OE1-NH2 3.32Å; E581-R619 IonicContact OE2-CZ 3.68Å; E581-R619 IonicContact OE2-NH1 3.23Å; E581-R619 PolarHBondContact OE2-NH1 2.82Å; E581-F816 HydrophobicContact CG-CD1 4.31Å; E581-F816 HydrophobicContact CG-CE1 4.47Å; E581-L820 HydrophobicContact CG-CD1 3.44Å; E581-L820 VanDerWaalsContact CG-CD1 3.44Å
582	D	97.8	Very high	97.9	Very high	11 Å²	11	15.3 Å²	15.3	6%	0.059	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-54	-27.6	170.9	-79.3	-0.2	0	0	0	111.9	A579 V580 F608 C612 Y673 K706	A579-D582 WeakPolarHBondContact O-CB 3.18Å; A579-D582 PolarHBondContact O-N 3.32Å; V580-D582 PolarHBondContact O-N 3.04Å; V580-D582 VanDerWaalsContact O-N 3.12Å; D582-F608 VanDerWaalsContact O-CE2 3.27Å; D582-F608 WeakPolarHBondContact O-CE2 3.41Å; D582-C612 HydrophobicContact CB-CB 4.48Å; D582-C612 VanDerWaalsContact CG-SG 3.51Å; D582-C612 VanDerWaalsContact OD1-CB 3.32Å; D582-C612 WeakPolarHBondContact OD1-CB 3.22Å; D582-Y673 PolarHBondContact OD2-OH 2.82Å; D582-K706 IonicContact OD1-NZ 3.31Å; D582-K706 PolarHBondContact OD1-NZ 3.05Å; D582-K706 WeakPolarHBondContact OD2-CE 3.41Å; D582-K706 IonicContact OD2-NZ 3.95Å; D582-K706 PolarHBondContact OD2-NZ 3.48Å
583	F	98.6	Very high	98	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-89.8	8.4	-179.5	-60.7	-79.8	0	0	0	114.7	V580 E581 Y585 S586 F608 W642 C660 W667 V669	V580-F583 PolarHBondContact O-N 2.9Å; E581-F583 PolarHBondContact O-N 2.73Å; E581-F583 VanDerWaalsContact O-N 3.09Å; F583-Y585 PolarHBondContact O-N 2.99Å; F583-S586 WeakPolarHBondContact O-CB 3.42Å; F583-S586 PolarHBondContact O-N 2.83Å; F583-S586 PolarHBondContact O-OG 2.86Å; F583-F608 HydrophobicContact CD1-CE2 4.14Å; F583-F608 HydrophobicContact CD1-CZ 4.06Å; F583-F608 HydrophobicContact CE1-CE2 4.46Å; F583-F608 AromaticContact CE1-CZ 3.95Å; F583-F608 HydrophobicContact CE1-CZ 3.95Å; F583-W642 HydrophobicContact CB-CH2 3.82Å; F583-W642 HydrophobicContact CB-CZ2 3.61Å; F583-W642 HydrophobicContact CB-CZ3 4.43Å; F583-C660 HydrophobicContact CD1-CB 4.42Å; F583-C660 HydrophobicContact CE1-CB 3.68Å; F583-C660 VanDerWaalsContact CE1-SG 3.58Å; F583-C660 HydrophobicContact CE2-CB 3.83Å; F583-C660 HydrophobicContact CZ-CB 3.34Å; F583-W667 HydrophobicContact CD1-CH2 4.2Å; F583-W667 HydrophobicContact CD1-CZ3 4.43Å; F583-W667 HydrophobicContact CE1-CH2 4.4Å; F583-W667 HydrophobicContact CE1-CZ3 4.17Å; F583-V669 HydrophobicContact CE1-CB 3.9Å; F583-V669 HydrophobicContact CE1-CG1 4.08Å; F583-V669 HydrophobicContact CE1-CG2 4.07Å; F583-V669 HydrophobicContact CZ-CB 3.93Å; F583-V669 HydrophobicContact CZ-CG1 3.79Å
584	T	98.2	Very high	98	Very high	21 Å²	21	22 Å²	22	13%	0.129	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-51.8	-42.1	175.1	-59.4	0	0	0	0	111.4	E581 F816	E581-T584 WeakPolarHBondContact O-CB 3.43Å; E581-T584 PolarHBondContact O-N 2.75Å; E581-T584 PolarHBondContact O-OG1 3.14Å; T584-F816 HydrophobicContact CG2-CB 4.01Å; T584-F816 HydrophobicContact CG2-CG 4.35Å; T584-F816 VanDerWaalsContact OG1-CD1 3.3Å; T584-F816 WeakPolarHBondContact OG1-CD1 3.34Å
585	Y	98.7	Very high	98	Very high	13 Å²	13	23.2 Å²	23.2	5%	0.051	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-107.8	36.8	179.3	-53.2	-81.6	0	0	0	112.1	F583 H587 L588 W798 P800 D801	F583-Y585 PolarHBondContact O-N 2.99Å; Y585-H587 AromaticContact CD1-CE1 3.92Å; Y585-H587 PolarHBondContact O-N 3.37Å; Y585-H587 VanDerWaalsContact O-N 3.11Å; Y585-L588 WeakPolarHBondContact O-CB 3.29Å; Y585-L588 VanDerWaalsContact O-CG 3.32Å; Y585-L588 WeakPolarHBondContact O-CG 3.38Å; Y585-L588 PolarHBondContact O-N 2.79Å; Y585-W798 AromaticContact CD1-CD1 3.77Å; Y585-W798 AromaticContact CD1-NE1 3.33Å; Y585-W798 VanDerWaalsContact CD1-NE1 3.33Å; Y585-W798 HydrophobicContact CD2-CZ2 4.39Å; Y585-W798 AromaticContact CD2-NE1 3.41Å; Y585-W798 AromaticContact CE1-NE1 3.5Å; Y585-W798 HydrophobicContact CE2-CZ2 4.02Å; Y585-W798 AromaticContact CE2-NE1 3.56Å; Y585-W798 AromaticContact CG-CD1 3.82Å; Y585-W798 AromaticContact CG-NE1 3.29Å; Y585-W798 VanDerWaalsContact CG-NE1 3.29Å; Y585-W798 AromaticContact CZ-NE1 3.63Å; Y585-P800 VanDerWaalsContact OH-CA 3.23Å; Y585-P800 WeakPolarHBondContact OH-CA 3.47Å; Y585-D801 PolarHBondContact OH-N 2.9Å
586	S	98.6	Very high	98	Very high	4 Å²	4	33.2 Å²	33.2	3%	0.028	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-25.8	178.8	40.7	0	0	0	0	114.6	F583 L588 L589 D590 W642	F583-S586 WeakPolarHBondContact O-CB 3.42Å; F583-S586 PolarHBondContact O-N 2.83Å; F583-S586 PolarHBondContact O-OG 2.86Å; S586-L588 PolarHBondContact O-N 3.44Å; S586-L588 VanDerWaalsContact O-N 3.1Å; S586-L589 WeakPolarHBondContact O-CA 3.34Å; S586-L589 WeakPolarHBondContact O-CB 3.43Å; S586-L589 PolarHBondContact O-N 2.65Å; S586-D590 PolarHBondContact O-N 3.45Å; S586-W642 PolarHBondContact OG-NE1 3.47Å
587	H	98.4	Very high	98	Very high	74 Å²	74	35.8 Å²	35.8	34%	0.343	16%	0.16	S	C	.	.	H	α-helix	trans	-58.5	-22	174.3	63.8	-95.8	0	0	0	113.5	Y585 L589 D590 Y591	Y585-H587 AromaticContact CD1-CE1 3.92Å; Y585-H587 PolarHBondContact O-N 3.37Å; Y585-H587 VanDerWaalsContact O-N 3.11Å; H587-L589 VanDerWaalsContact C-N 3.25Å; H587-L589 PolarHBondContact O-N 3.04Å; H587-D590 WeakPolarHBondContact CA-OD2 3.45Å; H587-D590 WeakPolarHBondContact O-CB 3.49Å; H587-D590 PolarHBondContact O-N 2.97Å; H587-D590 VanDerWaalsContact O-N 3.13Å; H587-Y591 AromaticContact CD2-CE2 3.66Å; H587-Y591 WeakPolarHBondContact O-CD2 3.45Å; H587-Y591 PolarHBondContact O-N 3.43Å
588	L	98.9	Very high	98	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-62	-36	171.3	-64.1	169.9	0	0	0	111.3	Y585 S586 Y591 A592 Y604 A607 F608 L797 W798	Y585-L588 WeakPolarHBondContact O-CB 3.29Å; Y585-L588 VanDerWaalsContact O-CG 3.32Å; Y585-L588 WeakPolarHBondContact O-CG 3.38Å; Y585-L588 PolarHBondContact O-N 2.79Å; S586-L588 PolarHBondContact O-N 3.44Å; S586-L588 VanDerWaalsContact O-N 3.1Å; L588-Y591 PolarHBondContact O-N 2.65Å; L588-A592 WeakPolarHBondContact O-CB 3.3Å; L588-A592 PolarHBondContact O-N 3.22Å; L588-Y604 HydrophobicContact CD2-CD1 4.16Å; L588-A607 HydrophobicContact CD1-CB 4Å; L588-A607 HydrophobicContact CD2-CB 4.21Å; L588-F608 HydrophobicContact CB-CB 4.14Å; L588-F608 HydrophobicContact CD1-CB 4.39Å; L588-L797 WeakPolarHBondContact CD2-O 3.42Å; L588-W798 HydrophobicContact CD1-CB 4.18Å; L588-W798 HydrophobicContact CD1-CG 4.14Å; L588-W798 HydrophobicContact CD2-CB 4.33Å
589	L	98.9	Very high	98	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-73	-31.9	173.3	-58.4	-177.9	0	0	0	111.8	S586 H587 A592 S593 F608 W667 V669 L694	S586-L589 WeakPolarHBondContact O-CA 3.34Å; S586-L589 WeakPolarHBondContact O-CB 3.43Å; S586-L589 PolarHBondContact O-N 2.65Å; H587-L589 VanDerWaalsContact C-N 3.25Å; H587-L589 PolarHBondContact O-N 3.04Å; L589-A592 PolarHBondContact O-N 2.78Å; L589-S593 WeakPolarHBondContact O-CB 3.15Å; L589-S593 PolarHBondContact O-N 2.92Å; L589-S593 PolarHBondContact O-OG 3.07Å; L589-F608 HydrophobicContact CD1-CD1 4.25Å; L589-F608 HydrophobicContact CD1-CD2 4.01Å; L589-F608 HydrophobicContact CD1-CE1 4.08Å; L589-F608 HydrophobicContact CD1-CE2 3.82Å; L589-F608 HydrophobicContact CD1-CG 4.22Å; L589-F608 HydrophobicContact CD1-CZ 3.87Å; L589-F608 HydrophobicContact CD2-CB 3.83Å; L589-F608 HydrophobicContact CD2-CD1 3.78Å; L589-F608 HydrophobicContact CD2-CD2 4.12Å; L589-F608 HydrophobicContact CD2-CE1 4.39Å; L589-F608 HydrophobicContact CD2-CG 3.62Å; L589-F608 HydrophobicContact CG-CB 4.33Å; L589-F608 HydrophobicContact CG-CD1 4.24Å; L589-F608 HydrophobicContact CG-CD2 3.79Å; L589-F608 HydrophobicContact CG-CE2 4.14Å; L589-F608 HydrophobicContact CG-CG 3.84Å; L589-W667 HydrophobicContact CB-CD2 4.06Å; L589-W667 HydrophobicContact CB-CG 4.2Å; L589-W667 HydrophobicContact CB-CZ2 4.35Å; L589-W667 HydrophobicContact CD1-CD2 4.17Å; L589-W667 HydrophobicContact CD1-CE3 4.03Å; L589-W667 HydrophobicContact CD1-CH2 4.28Å; L589-W667 HydrophobicContact CD1-CZ2 4.37Å; L589-W667 HydrophobicContact CD1-CZ3 4.1Å; L589-V669 HydrophobicContact CD1-CG2 3.74Å; L589-L694 HydrophobicContact CD1-CD1 4.19Å; L589-L694 HydrophobicContact CD2-CD1 4.13Å; L589-L694 HydrophobicContact CD2-CD2 3.63Å
590	D	98.6	Very high	98.1	Very high	13 Å²	13	38.7 Å²	38.7	7%	0.07	18%	0.179	C	C	.	.	H	α-helix	trans	-61.8	-46.3	171.4	-60.7	-26.7	0	0	0	110.3	S586 H587 S593 Q594 H665 W667	S586-D590 PolarHBondContact O-N 3.45Å; H587-D590 WeakPolarHBondContact CA-OD2 3.45Å; H587-D590 WeakPolarHBondContact O-CB 3.49Å; H587-D590 PolarHBondContact O-N 2.97Å; H587-D590 VanDerWaalsContact O-N 3.13Å; D590-S593 PolarHBondContact O-N 3.38Å; D590-S593 PolarHBondContact O-OG 3.11Å; D590-Q594 WeakPolarHBondContact O-CG 3.43Å; D590-Q594 PolarHBondContact O-N 2.79Å; D590-Q594 PolarHBondContact O-NE2 3.19Å; D590-H665 IonicContact OD1-CD2 3.38Å; D590-H665 PolarHBondContact OD1-CD2 3.18Å; D590-H665 IonicContact OD1-CG 2.81Å; D590-H665 IonicContact OD2-CD2 3.95Å; D590-W667 PolarHBondContact OD1-NE1 3.19Å
591	Y	98.7	Very high	98.1	Very high	104 Å²	104	39 Å²	39	41%	0.408	18%	0.18	S	C	.	.	H	α-helix	trans	-64	-44.2	175.4	-60.9	-31.8	0	0	0	112.2	H587 L588 S593 Q594 T595 Y604	H587-Y591 AromaticContact CD2-CE2 3.66Å; H587-Y591 WeakPolarHBondContact O-CD2 3.45Å; H587-Y591 PolarHBondContact O-N 3.43Å; L588-Y591 PolarHBondContact O-N 2.65Å; Y591-S593 VanDerWaalsContact C-N 3.27Å; Y591-S593 PolarHBondContact O-N 3.02Å; Y591-Q594 PolarHBondContact O-N 3.33Å; Y591-Q594 VanDerWaalsContact O-N 3.11Å; Y591-T595 PolarHBondContact O-N 3.3Å; Y591-Y604 HydrophobicContact CD2-CD1 4.34Å; Y591-Y604 AromaticContact CD2-CE1 3.88Å; Y591-Y604 HydrophobicContact CD2-CE1 3.88Å; Y591-Y604 HydrophobicContact CG-CE1 4.33Å
592	A	98.7	Very high	98.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58.4	-38.4	175.2	0	0	0	0	0	112.5	L588 L589 Q594 Q601 V605 F696	L588-A592 WeakPolarHBondContact O-CB 3.3Å; L588-A592 PolarHBondContact O-N 3.22Å; L589-A592 PolarHBondContact O-N 2.78Å; A592-Q594 VanDerWaalsContact C-N 3.25Å; A592-Q594 PolarHBondContact O-N 2.89Å; A592-Q601 HydrophobicContact CB-CG 4.22Å; A592-Q601 WeakPolarHBondContact O-CG 3.45Å; A592-Q601 PolarHBondContact O-NE2 3.43Å; A592-V605 HydrophobicContact CB-CG2 4.2Å; A592-F696 HydrophobicContact CB-CE1 4.11Å; A592-F696 HydrophobicContact CB-CE2 4.18Å; A592-F696 HydrophobicContact CB-CZ 3.46Å; A592-F696 VanDerWaalsContact CB-CZ 3.46Å
593	S	98.3	Very high	98.2	Very high	26 Å²	26	38.1 Å²	38.1	18%	0.182	18%	0.176	C	C	.	.	H	α-helix	trans	-69.9	-21.9	179.1	75.8	0	0	0	0	113.7	L589 D590 Y591	L589-S593 WeakPolarHBondContact O-CB 3.15Å; L589-S593 PolarHBondContact O-N 2.92Å; L589-S593 PolarHBondContact O-OG 3.07Å; D590-S593 PolarHBondContact O-N 3.38Å; D590-S593 PolarHBondContact O-OG 3.11Å; Y591-S593 VanDerWaalsContact C-N 3.27Å; Y591-S593 PolarHBondContact O-N 3.02Å
594	Q	97.5	Very high	98.2	Very high	115 Å²	115	40.1 Å²	40.1	54%	0.537	18%	0.184	S	C	.	.	H	α-helix	trans	-99.8	-26.6	-174	-71.8	174.2	86.8	0	0	113.2	D590 Y591 A592 H665	D590-Q594 WeakPolarHBondContact O-CG 3.43Å; D590-Q594 PolarHBondContact O-N 2.79Å; D590-Q594 PolarHBondContact O-NE2 3.19Å; Y591-Q594 PolarHBondContact O-N 3.33Å; Y591-Q594 VanDerWaalsContact O-N 3.11Å; A592-Q594 VanDerWaalsContact C-N 3.25Å; A592-Q594 PolarHBondContact O-N 2.89Å; Q594-H665 PolarHBondContact NE2-CE1 3.32Å; Q594-H665 VanDerWaalsContact NE2-CE1 3.33Å
595	T	97.1	Very high	98.3	Very high	24 Å²	24	39.1 Å²	39.1	15%	0.147	18%	0.177	C	C	.	.			trans	-71.9	147.5	176.9	-176.6	0	0	0	0	111.7	Y591 D597 E600 Q601 Y604	Y591-T595 PolarHBondContact O-N 3.3Å; T595-D597 PolarHBondContact OG1-N 2.88Å; T595-E600 WeakPolarHBondContact CB-OE2 3.36Å; T595-E600 HydrophobicContact CG2-CB 4.42Å; T595-E600 HydrophobicContact CG2-CG 4.35Å; T595-E600 PolarHBondContact OG1-OE2 2.9Å; T595-Q601 HydrophobicContact CG2-CB 3.7Å; T595-Q601 HydrophobicContact CG2-CG 4.31Å; T595-Y604 HydrophobicContact CG2-CD2 4.38Å
596	R	96.1	Very high	98.3	Very high	246 Å²	246	38.5 Å²	38.5	93%	0.928	18%	0.175	S	C	*	.			trans	-101.2	-11.2	175.1	-62.7	-177.8	-178.5	173.6	0.8	112.7
597	D	97.5	Very high	98.3	Very high	54 Å²	54	38.3 Å²	38.3	29%	0.289	17%	0.174	S	C	.	.			trans	-85.8	117.5	179.8	-176.2	-26.9	0	0	0	109.6	T595 V599 E600 Q601 R783	T595-D597 PolarHBondContact OG1-N 2.88Å; D597-V599 PolarHBondContact O-N 2.84Å; D597-V599 WeakPolarHBondContact OD1-CB 3.42Å; D597-V599 PolarHBondContact OD1-N 3.1Å; D597-E600 HydrophobicContact CB-CB 3.95Å; D597-E600 PolarHBondContact O-N 3.35Å; D597-Q601 WeakPolarHBondContact O-CB 3.32Å; D597-Q601 PolarHBondContact O-N 3.24Å; D597-R783 IonicContact OD1-CZ 2.72Å; D597-R783 IonicContact OD1-NH1 3.36Å; D597-R783 PolarHBondContact OD1-NH1 3.07Å; D597-R783 IonicContact OD1-NH2 3.89Å; D597-R783 PolarHBondContact OD1-NH2 3.14Å; D597-R783 IonicContact OD2-CZ 3.96Å; D597-R783 VanDerWaalsContact OD2-CZ 3.32Å; D597-R783 IonicContact OD2-NH1 2.64Å; D597-R783 PolarHBondContact OD2-NH1 3.16Å; D597-R783 IonicContact OD2-NH2 3.32Å; D597-R783 PolarHBondContact OD2-NH2 3.32Å
598	P	97.7	Very high	98.3	Very high	40 Å²	40	35 Å²	35	26%	0.26	16%	0.158	S	C	.	.	H	α-helix	trans	-62.6	-27.2	-176.8	25.4	-34.9	0	0	0	113.6	M602 Y736	P598-M602 VanDerWaalsContact O-CB 3.32Å; P598-M602 WeakPolarHBondContact O-CB 3.35Å; P598-M602 PolarHBondContact O-N 2.87Å; P598-Y736 HydrophobicContact CB-CD1 4.27Å; P598-Y736 HydrophobicContact CB-CD2 4.22Å; P598-Y736 HydrophobicContact CB-CE1 4.11Å; P598-Y736 HydrophobicContact CB-CE2 4.05Å; P598-Y736 HydrophobicContact CB-CG 4.32Å; P598-Y736 HydrophobicContact CG-CE1 4.05Å; P598-Y736 HydrophobicContact CG-CE2 4.05Å
599	V	98	Very high	98.3	Very high	4 Å²	4	35 Å²	35	2%	0.024	16%	0.158	C	C	.	.	H	α-helix	trans	-75.9	-41.2	177.7	177	0	0	0	0	110.6	D597 M602 A603 Y736 V760 V768 A769 R783	D597-V599 PolarHBondContact O-N 2.84Å; D597-V599 WeakPolarHBondContact OD1-CB 3.42Å; D597-V599 PolarHBondContact OD1-N 3.1Å; V599-M602 PolarHBondContact O-N 3.31Å; V599-A603 WeakPolarHBondContact O-CB 3.45Å; V599-A603 PolarHBondContact O-N 2.96Å; V599-Y736 HydrophobicContact CG2-CD1 4.3Å; V599-Y736 HydrophobicContact CG2-CE1 3.67Å; V599-V760 HydrophobicContact CG1-CG1 4.18Å; V599-V768 HydrophobicContact CG1-CG2 4.36Å; V599-V768 HydrophobicContact CG2-CB 4.42Å; V599-V768 HydrophobicContact CG2-CG2 3.62Å; V599-A769 HydrophobicContact CG1-CB 3.72Å; V599-R783 VanDerWaalsContact CB-CZ 3.41Å
600	E	98	Very high	98.3	Very high	54 Å²	54	35 Å²	35	25%	0.252	16%	0.158	S	C	.	.	H	α-helix	trans	-68.3	-40.8	175.6	-173.9	175.7	-130.1	0	0	111	T595 D597 M602 A603 Y604	T595-E600 WeakPolarHBondContact CB-OE2 3.36Å; T595-E600 HydrophobicContact CG2-CB 4.42Å; T595-E600 HydrophobicContact CG2-CG 4.35Å; T595-E600 PolarHBondContact OG1-OE2 2.9Å; D597-E600 HydrophobicContact CB-CB 3.95Å; D597-E600 PolarHBondContact O-N 3.35Å; E600-M602 PolarHBondContact O-N 3.46Å; E600-A603 WeakPolarHBondContact O-CB 3.41Å; E600-A603 PolarHBondContact O-N 2.89Å; E600-A603 VanDerWaalsContact O-N 3.13Å; E600-Y604 HydrophobicContact CG-CD2 3.93Å; E600-Y604 HydrophobicContact CG-CE2 3.55Å; E600-Y604 VanDerWaalsContact O-CD2 3.31Å; E600-Y604 WeakPolarHBondContact O-CD2 3.22Å; E600-Y604 PolarHBondContact O-N 2.91Å
601	Q	98.6	Very high	98.3	Very high	7 Å²	7	34.5 Å²	34.5	3%	0.033	16%	0.156	C	C	.	.	H	α-helix	trans	-57	-50.5	172.9	-170.3	175.2	77.8	0	0	110.8	A592 T595 D597 A603 Y604 V605 F696 S700 Y702	A592-Q601 HydrophobicContact CB-CG 4.22Å; A592-Q601 WeakPolarHBondContact O-CG 3.45Å; A592-Q601 PolarHBondContact O-NE2 3.43Å; T595-Q601 HydrophobicContact CG2-CB 3.7Å; T595-Q601 HydrophobicContact CG2-CG 4.31Å; D597-Q601 WeakPolarHBondContact O-CB 3.32Å; D597-Q601 PolarHBondContact O-N 3.24Å; Q601-A603 VanDerWaalsContact C-N 3.29Å; Q601-A603 PolarHBondContact O-N 2.95Å; Q601-Y604 PolarHBondContact O-N 3.28Å; Q601-V605 WeakPolarHBondContact O-CG2 3.36Å; Q601-V605 PolarHBondContact O-N 3.35Å; Q601-F696 HydrophobicContact CG-CE2 4.18Å; Q601-S700 PolarHBondContact OE1-OG 2.89Å; Q601-Y702 HydrophobicContact CG-CE2 4.28Å; Q601-Y702 WeakPolarHBondContact CG-OH 3.45Å; Q601-Y702 PolarHBondContact OE1-OH 2.67Å
602	M	98.8	Very high	98.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.2	-41.7	175.1	179	63.7	77.2	0	0	111.7	P598 V599 E600 Y604 V605 V606 Y702 I729 N731 Y736 C738 V760	P598-M602 VanDerWaalsContact O-CB 3.32Å; P598-M602 WeakPolarHBondContact O-CB 3.35Å; P598-M602 PolarHBondContact O-N 2.87Å; V599-M602 PolarHBondContact O-N 3.31Å; E600-M602 PolarHBondContact O-N 3.46Å; M602-Y604 PolarHBondContact O-N 2.73Å; M602-V605 PolarHBondContact O-N 3.19Å; M602-V606 HydrophobicContact CG-CG2 4.29Å; M602-V606 WeakPolarHBondContact O-CB 3.36Å; M602-V606 VanDerWaalsContact O-CG2 3.22Å; M602-V606 WeakPolarHBondContact O-CG2 3.47Å; M602-V606 PolarHBondContact O-N 2.74Å; M602-V606 HydrophobicContact SD-CG2 4.24Å; M602-Y702 HydrophobicContact CE-CD1 4.11Å; M602-Y702 HydrophobicContact CE-CE1 3.61Å; M602-Y702 HydrophobicContact SD-CD1 4.28Å; M602-Y702 HydrophobicContact SD-CE1 3.87Å; M602-I729 HydrophobicContact SD-CB 4.13Å; M602-I729 HydrophobicContact SD-CG2 3.85Å; M602-N731 HydrophobicContact CE-CB 4.38Å; M602-Y736 WeakPolarHBondContact CE-O 3.34Å; M602-C738 HydrophobicContact CG-CB 3.98Å; M602-C738 HydrophobicContact SD-CB 3.84Å; M602-V760 HydrophobicContact CB-CG1 4.16Å; M602-V760 HydrophobicContact CG-CB 4.49Å; M602-V760 HydrophobicContact CG-CG1 3.84Å; M602-V760 HydrophobicContact CG-CG2 3.92Å
603	A	98.7	Very high	98.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.4	-42	179.1	0	0	0	0	0	112.2	V599 E600 Q601 V606 A607 Y781 L797	V599-A603 WeakPolarHBondContact O-CB 3.45Å; V599-A603 PolarHBondContact O-N 2.96Å; E600-A603 WeakPolarHBondContact O-CB 3.41Å; E600-A603 PolarHBondContact O-N 2.89Å; E600-A603 VanDerWaalsContact O-N 3.13Å; Q601-A603 VanDerWaalsContact C-N 3.29Å; Q601-A603 PolarHBondContact O-N 2.95Å; A603-V606 WeakPolarHBondContact O-CB 3.43Å; A603-V606 PolarHBondContact O-N 3.12Å; A603-A607 WeakPolarHBondContact O-CB 3.41Å; A603-A607 PolarHBondContact O-N 3.49Å; A603-Y781 HydrophobicContact CB-CD1 4.14Å; A603-Y781 HydrophobicContact CB-CD2 4.06Å; A603-Y781 HydrophobicContact CB-CE1 4.37Å; A603-Y781 HydrophobicContact CB-CE2 4.33Å; A603-Y781 HydrophobicContact CB-CG 3.96Å; A603-L797 HydrophobicContact CB-CD1 3.96Å; A603-L797 HydrophobicContact CB-CD2 3.92Å; A603-L797 WeakPolarHBondContact O-CD1 3.42Å
604	Y	98.9	Very high	98.1	Very high	43 Å²	43	30.2 Å²	30.2	17%	0.169	14%	0.14	C	C	.	.	H	α-helix	trans	-68.1	-37.8	174.2	-75	-57.1	0	0	0	113.4	L588 Y591 T595 E600 Q601 M602 V606 A607 F608 L797	L588-Y604 HydrophobicContact CD2-CD1 4.16Å; Y591-Y604 HydrophobicContact CD2-CD1 4.34Å; Y591-Y604 AromaticContact CD2-CE1 3.88Å; Y591-Y604 HydrophobicContact CD2-CE1 3.88Å; Y591-Y604 HydrophobicContact CG-CE1 4.33Å; T595-Y604 HydrophobicContact CG2-CD2 4.38Å; E600-Y604 HydrophobicContact CG-CD2 3.93Å; E600-Y604 HydrophobicContact CG-CE2 3.55Å; E600-Y604 VanDerWaalsContact O-CD2 3.31Å; E600-Y604 WeakPolarHBondContact O-CD2 3.22Å; E600-Y604 PolarHBondContact O-N 2.91Å; Q601-Y604 PolarHBondContact O-N 3.28Å; M602-Y604 PolarHBondContact O-N 2.73Å; Y604-V606 VanDerWaalsContact C-N 3.34Å; Y604-A607 WeakPolarHBondContact O-CB 3.22Å; Y604-A607 PolarHBondContact O-N 3.34Å; Y604-F608 PolarHBondContact O-N 3.46Å; Y604-L797 HydrophobicContact CD1-CD2 4.06Å; Y604-L797 HydrophobicContact CE1-CD2 4.04Å
605	V	98.9	Very high	98	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.8	-41.8	173.9	176.7	0	0	0	0	111.1	A592 Q601 M602 F608 S609 L694 F696 Y702 W704 I729	A592-V605 HydrophobicContact CB-CG2 4.2Å; Q601-V605 WeakPolarHBondContact O-CG2 3.36Å; Q601-V605 PolarHBondContact O-N 3.35Å; M602-V605 PolarHBondContact O-N 3.19Å; V605-F608 PolarHBondContact O-N 3.19Å; V605-S609 PolarHBondContact O-N 3.29Å; V605-L694 HydrophobicContact CB-CD2 4.41Å; V605-L694 HydrophobicContact CG1-CD2 3.91Å; V605-L694 HydrophobicContact CG2-CD2 3.64Å; V605-F696 HydrophobicContact CG2-CE2 4.06Å; V605-F696 HydrophobicContact CG2-CZ 4.19Å; V605-Y702 HydrophobicContact CB-CD1 4.39Å; V605-Y702 HydrophobicContact CB-CE1 4.45Å; V605-Y702 HydrophobicContact CG1-CD1 4.01Å; V605-Y702 HydrophobicContact CG1-CG 4.23Å; V605-Y702 HydrophobicContact CG2-CD1 4.23Å; V605-Y702 HydrophobicContact CG2-CD2 4.31Å; V605-Y702 HydrophobicContact CG2-CE1 4.14Å; V605-Y702 HydrophobicContact CG2-CE2 4.27Å; V605-Y702 HydrophobicContact CG2-CG 4.31Å; V605-W704 HydrophobicContact CG1-CE3 4.39Å; V605-W704 HydrophobicContact CG1-CH2 4.18Å; V605-W704 HydrophobicContact CG1-CZ3 3.9Å; V605-I729 HydrophobicContact CG1-CG2 3.89Å
606	V	98.8	Very high	97.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.4	-46.9	171.9	160.6	0	0	0	0	110.8	M602 A603 Y604 F608 S609 V610 I729 C738 L740 I771 L779	M602-V606 HydrophobicContact CG-CG2 4.29Å; M602-V606 WeakPolarHBondContact O-CB 3.36Å; M602-V606 VanDerWaalsContact O-CG2 3.22Å; M602-V606 WeakPolarHBondContact O-CG2 3.47Å; M602-V606 PolarHBondContact O-N 2.74Å; M602-V606 HydrophobicContact SD-CG2 4.24Å; A603-V606 WeakPolarHBondContact O-CB 3.43Å; A603-V606 PolarHBondContact O-N 3.12Å; Y604-V606 VanDerWaalsContact C-N 3.34Å; V606-F608 PolarHBondContact O-N 3.13Å; V606-S609 PolarHBondContact O-N 3.08Å; V606-V610 WeakPolarHBondContact O-CG2 3.31Å; V606-V610 PolarHBondContact O-N 2.64Å; V606-I729 HydrophobicContact CB-CD1 4.34Å; V606-I729 HydrophobicContact CG2-CD1 3.77Å; V606-C738 HydrophobicContact CG2-CB 3.69Å; V606-L740 HydrophobicContact CB-CD1 4.43Å; V606-L740 HydrophobicContact CG1-CD1 3.84Å; V606-L740 HydrophobicContact CG1-CD2 3.82Å; V606-L740 HydrophobicContact CG1-CG 4.39Å; V606-L740 HydrophobicContact CG2-CD1 4.19Å; V606-I771 HydrophobicContact CG1-CD1 4.14Å; V606-I771 HydrophobicContact CG1-CG1 4.13Å; V606-I771 HydrophobicContact CG1-CG2 3.86Å; V606-L779 HydrophobicContact CG1-CD2 3.77Å
607	A	98.8	Very high	97.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.4	-44.8	177.5	0	0	0	0	0	112.3	L588 A603 Y604 S609 V610 S611 L779 L797 W798	L588-A607 HydrophobicContact CD1-CB 4Å; L588-A607 HydrophobicContact CD2-CB 4.21Å; A603-A607 WeakPolarHBondContact O-CB 3.41Å; A603-A607 PolarHBondContact O-N 3.49Å; Y604-A607 WeakPolarHBondContact O-CB 3.22Å; Y604-A607 PolarHBondContact O-N 3.34Å; A607-S609 PolarHBondContact O-N 3.07Å; A607-V610 PolarHBondContact O-N 3.29Å; A607-S611 VanDerWaalsContact O-CB 3.31Å; A607-S611 WeakPolarHBondContact O-CB 3.49Å; A607-S611 PolarHBondContact O-N 2.96Å; A607-L779 HydrophobicContact CB-CD2 4.11Å; A607-L797 HydrophobicContact CB-CB 3.78Å; A607-L797 HydrophobicContact CB-CD1 4.29Å; A607-W798 HydrophobicContact CB-CB 4.07Å
608	F	98.8	Very high	97.4	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.018	10%	0.096	C	C	.	.	H	α-helix	trans	-57.3	-50.3	174.2	172	-102.6	0	0	0	111.2	D582 F583 L588 L589 Y604 V605 V606 V610 S611 C612 W704	D582-F608 VanDerWaalsContact O-CE2 3.27Å; D582-F608 WeakPolarHBondContact O-CE2 3.41Å; F583-F608 HydrophobicContact CD1-CE2 4.14Å; F583-F608 HydrophobicContact CD1-CZ 4.06Å; F583-F608 HydrophobicContact CE1-CE2 4.46Å; F583-F608 AromaticContact CE1-CZ 3.95Å; F583-F608 HydrophobicContact CE1-CZ 3.95Å; L588-F608 HydrophobicContact CB-CB 4.14Å; L588-F608 HydrophobicContact CD1-CB 4.39Å; L589-F608 HydrophobicContact CD1-CD1 4.25Å; L589-F608 HydrophobicContact CD1-CD2 4.01Å; L589-F608 HydrophobicContact CD1-CE1 4.08Å; L589-F608 HydrophobicContact CD1-CE2 3.82Å; L589-F608 HydrophobicContact CD1-CG 4.22Å; L589-F608 HydrophobicContact CD1-CZ 3.87Å; L589-F608 HydrophobicContact CD2-CB 3.83Å; L589-F608 HydrophobicContact CD2-CD1 3.78Å; L589-F608 HydrophobicContact CD2-CD2 4.12Å; L589-F608 HydrophobicContact CD2-CE1 4.39Å; L589-F608 HydrophobicContact CD2-CG 3.62Å; L589-F608 HydrophobicContact CG-CB 4.33Å; L589-F608 HydrophobicContact CG-CD1 4.24Å; L589-F608 HydrophobicContact CG-CD2 3.79Å; L589-F608 HydrophobicContact CG-CE2 4.14Å; L589-F608 HydrophobicContact CG-CG 3.84Å; Y604-F608 PolarHBondContact O-N 3.46Å; V605-F608 PolarHBondContact O-N 3.19Å; V606-F608 PolarHBondContact O-N 3.13Å; F608-V610 VanDerWaalsContact C-N 3.3Å; F608-V610 PolarHBondContact O-N 3.15Å; F608-S611 PolarHBondContact O-N 3.1Å; F608-S611 PolarHBondContact O-OG 3.39Å; F608-C612 PolarHBondContact O-N 3.33Å; F608-C612 PolarHBondContact O-SG 3.36Å; F608-W704 HydrophobicContact CD1-CH2 4.16Å; F608-W704 AromaticContact CD1-CZ2 3.92Å; F608-W704 HydrophobicContact CD1-CZ2 3.92Å; F608-W704 HydrophobicContact CE1-CH2 4.22Å; F608-W704 AromaticContact CE1-CZ2 3.93Å; F608-W704 HydrophobicContact CE1-CZ2 3.93Å
609	S	98.5	Very high	97.2	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.007	9%	0.085	C	C	.	.	H	α-helix	trans	-58.6	-39.2	179.1	178.3	0	0	0	0	113	V605 V606 A607 Y613 W704	V605-S609 PolarHBondContact O-N 3.29Å; V606-S609 PolarHBondContact O-N 3.08Å; A607-S609 PolarHBondContact O-N 3.07Å; S609-Y613 WeakPolarHBondContact O-CE2 3.38Å; S609-W704 PolarHBondContact OG-NE1 2.92Å; S609-W704 VanDerWaalsContact OG-NE1 3.1Å
610	V	98.7	Very high	96.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-73.8	-39.3	178.6	171	0	0	0	0	111.2	V606 A607 F608 C612 Y613 L740 F742 I756 W775 L779 W798	V606-V610 WeakPolarHBondContact O-CG2 3.31Å; V606-V610 PolarHBondContact O-N 2.64Å; A607-V610 PolarHBondContact O-N 3.29Å; F608-V610 VanDerWaalsContact C-N 3.3Å; F608-V610 PolarHBondContact O-N 3.15Å; V610-C612 PolarHBondContact O-N 3.14Å; V610-C612 VanDerWaalsContact O-N 3.1Å; V610-Y613 WeakPolarHBondContact O-CD2 3.23Å; V610-Y613 PolarHBondContact O-N 3.2Å; V610-Y613 VanDerWaalsContact O-N 3.08Å; V610-L740 HydrophobicContact CG2-CD1 4.39Å; V610-F742 HydrophobicContact CG2-CZ 4.06Å; V610-I756 HydrophobicContact CB-CD1 4.21Å; V610-I756 HydrophobicContact CG1-CD1 3.37Å; V610-I756 HydrophobicContact CG2-CD1 3.78Å; V610-W775 HydrophobicContact CG1-CB 4.14Å; V610-L779 HydrophobicContact CB-CD2 4.03Å; V610-L779 HydrophobicContact CG1-CD1 4.39Å; V610-L779 HydrophobicContact CG1-CD2 4.42Å; V610-L779 HydrophobicContact CG2-CD1 4.41Å; V610-L779 HydrophobicContact CG2-CD2 3.91Å; V610-W798 HydrophobicContact CG1-CE3 4.42Å; V610-W798 HydrophobicContact CG1-CZ3 4Å
611	S	98.4	Very high	96.2	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.014	11%	0.106	C	C	.	.	H	α-helix	trans	-58.8	-27.5	-176.3	77.9	0	0	0	0	113.7	A607 F608 Y613 S614 W798	A607-S611 VanDerWaalsContact O-CB 3.31Å; A607-S611 WeakPolarHBondContact O-CB 3.49Å; A607-S611 PolarHBondContact O-N 2.96Å; F608-S611 PolarHBondContact O-N 3.1Å; F608-S611 PolarHBondContact O-OG 3.39Å; S611-Y613 PolarHBondContact O-N 3.37Å; S611-Y613 VanDerWaalsContact O-N 3.13Å; S611-S614 WeakPolarHBondContact O-CB 3.3Å; S611-S614 PolarHBondContact O-N 3.05Å; S611-S614 VanDerWaalsContact O-N 3.12Å; S611-S614 PolarHBondContact O-OG 3.24Å; S611-W798 VanDerWaalsContact CB-CE2 3.41Å
612	C	97.8	Very high	95.7	Very high	12 Å²	12	22.1 Å²	22.1	8%	0.081	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-27.3	176.1	-64.4	0	0	0	0	113.6	D582 F608 V610	D582-C612 HydrophobicContact CB-CB 4.48Å; D582-C612 VanDerWaalsContact CG-SG 3.51Å; D582-C612 VanDerWaalsContact OD1-CB 3.32Å; D582-C612 WeakPolarHBondContact OD1-CB 3.22Å; F608-C612 PolarHBondContact O-N 3.33Å; F608-C612 PolarHBondContact O-SG 3.36Å; V610-C612 PolarHBondContact O-N 3.14Å; V610-C612 VanDerWaalsContact O-N 3.1Å
613	Y	97.7	Very high	95.4	Very high	8 Å²	8	23.1 Å²	23.1	3%	0.031	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-11.2	-177.4	-59.8	-83.6	0	0	0	113.8	S609 V610 S611 S615 T616 K706 V707 N723 F742	S609-Y613 WeakPolarHBondContact O-CE2 3.38Å; V610-Y613 WeakPolarHBondContact O-CD2 3.23Å; V610-Y613 PolarHBondContact O-N 3.2Å; V610-Y613 VanDerWaalsContact O-N 3.08Å; S611-Y613 PolarHBondContact O-N 3.37Å; S611-Y613 VanDerWaalsContact O-N 3.13Å; Y613-S615 VanDerWaalsContact C-N 3.26Å; Y613-S615 PolarHBondContact O-N 3.18Å; Y613-T616 WeakPolarHBondContact O-CB 3.32Å; Y613-T616 PolarHBondContact O-N 3.31Å; Y613-T616 PolarHBondContact O-OG1 3.34Å; Y613-K706 VanDerWaalsContact OH-CA 3.23Å; Y613-K706 WeakPolarHBondContact OH-CA 3.44Å; Y613-K706 WeakPolarHBondContact OH-CB 3.33Å; Y613-K706 WeakPolarHBondContact OH-CG 3.35Å; Y613-V707 HydrophobicContact CD1-CG2 4.46Å; Y613-V707 HydrophobicContact CE1-CG2 3.69Å; Y613-V707 HydrophobicContact CE2-CG2 4.44Å; Y613-V707 PolarHBondContact OH-N 2.98Å; Y613-N723 HydrophobicContact CD1-CB 4.2Å; Y613-N723 WeakPolarHBondContact CD1-OD1 3.36Å; Y613-F742 AromaticContact CD2-CE1 3.64Å; Y613-F742 HydrophobicContact CD2-CE1 3.64Å; Y613-F742 AromaticContact CD2-CZ 3.9Å; Y613-F742 HydrophobicContact CD2-CZ 3.9Å; Y613-F742 AromaticContact CE2-CE1 3.8Å; Y613-F742 HydrophobicContact CE2-CE1 3.8Å; Y613-F742 AromaticContact CE2-CZ 3.7Å; Y613-F742 HydrophobicContact CE2-CZ 3.7Å; Y613-F742 HydrophobicContact CG-CE1 4.2Å
614	S	96.6	Very high	95.2	Very high	20 Å²	20	23.1 Å²	23.1	14%	0.14	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-55.8	-38.1	-176.1	60.7	0	0	0	0	113.5	S611 T616 A617	S611-S614 WeakPolarHBondContact O-CB 3.3Å; S611-S614 PolarHBondContact O-N 3.05Å; S611-S614 VanDerWaalsContact O-N 3.12Å; S611-S614 PolarHBondContact O-OG 3.24Å; S614-T616 PolarHBondContact O-N 3.15Å; S614-T616 VanDerWaalsContact O-N 3.15Å; S614-A617 VanDerWaalsContact O-CB 3.32Å; S614-A617 WeakPolarHBondContact O-CB 3.39Å; S614-A617 PolarHBondContact O-N 3.39Å; S614-A617 VanDerWaalsContact O-N 3.14Å
615	S	94.8	Very high	94.7	Very high	26 Å²	26	25 Å²	25	18%	0.182	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-59	-28.1	177.8	66.3	0	0	0	0	113	R578 Y613 A617 R619	R578-S615 PolarHBondContact NH2-OG 3.1Å; Y613-S615 VanDerWaalsContact C-N 3.26Å; Y613-S615 PolarHBondContact O-N 3.18Å; S615-A617 VanDerWaalsContact C-N 3.25Å; S615-A617 PolarHBondContact O-N 3.3Å; S615-R619 WeakPolarHBondContact O-CB 3.48Å; S615-R619 PolarHBondContact O-N 3.04Å
616	T	95.4	Very high	94.5	Very high	14 Å²	14	25.4 Å²	25.4	9%	0.086	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-76.4	-9.8	-177.6	72.4	0	0	0	0	113.7	Y613 S614 Y618 N723	Y613-T616 WeakPolarHBondContact O-CB 3.32Å; Y613-T616 PolarHBondContact O-N 3.31Å; Y613-T616 PolarHBondContact O-OG1 3.34Å; S614-T616 PolarHBondContact O-N 3.15Å; S614-T616 VanDerWaalsContact O-N 3.15Å; T616-Y618 PolarHBondContact O-N 3.35Å; T616-N723 PolarHBondContact OG1-ND2 2.91Å
617	A	93.4	Very high	94.4	Very high	22 Å²	22	26 Å²	26	18%	0.182	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-61.3	-32.3	177.9	0	0	0	0	0	112.6	S614 S615 W775 D776	S614-A617 VanDerWaalsContact O-CB 3.32Å; S614-A617 WeakPolarHBondContact O-CB 3.39Å; S614-A617 PolarHBondContact O-N 3.39Å; S614-A617 VanDerWaalsContact O-N 3.14Å; S615-A617 VanDerWaalsContact C-N 3.25Å; S615-A617 PolarHBondContact O-N 3.3Å; A617-W775 HydrophobicContact CB-CZ3 3.97Å; A617-D776 HydrophobicContact CB-CB 3.83Å
618	Y	90.5	Very high	94.3	Very high	139 Å²	139	26.7 Å²	26.7	55%	0.545	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-28	-177.3	-53.6	-77.3	0	0	0	113.3	T616 V620 L803	T616-Y618 PolarHBondContact O-N 3.35Å; Y618-V620 PolarHBondContact O-N 3.04Å; Y618-L803 HydrophobicContact CD2-CD1 3.71Å; Y618-L803 HydrophobicContact CE2-CD1 4.08Å; Y618-L803 HydrophobicContact CG-CD1 4.13Å
619	R	92.8	Very high	94.2	Very high	8 Å²	8	26.5 Å²	26.5	3%	0.03	15%	0.146	C	C	.	.			trans	-91.5	97.3	-172.4	-70.2	176.6	54.6	-152.3	10.7	112.5	E571 E581 S615 I721 Y811 H812	E571-R619 IonicContact OE1-CZ 3.29Å; E571-R619 IonicContact OE1-NH2 3.35Å; E571-R619 PolarHBondContact OE1-NH2 2.64Å; E571-R619 IonicContact OE2-CZ 2.92Å; E571-R619 IonicContact OE2-NE 3.7Å; E571-R619 PolarHBondContact OE2-NE 3.26Å; E571-R619 IonicContact OE2-NH2 2.79Å; E571-R619 PolarHBondContact OE2-NH2 2.99Å; E581-R619 IonicContact OE1-CZ 3.77Å; E581-R619 VanDerWaalsContact OE1-CZ 3.28Å; E581-R619 IonicContact OE1-NH1 3.86Å; E581-R619 PolarHBondContact OE1-NH1 3.1Å; E581-R619 IonicContact OE1-NH2 3.55Å; E581-R619 PolarHBondContact OE1-NH2 3.32Å; E581-R619 IonicContact OE2-CZ 3.68Å; E581-R619 IonicContact OE2-NH1 3.23Å; E581-R619 PolarHBondContact OE2-NH1 2.82Å; S615-R619 WeakPolarHBondContact O-CB 3.48Å; S615-R619 PolarHBondContact O-N 3.04Å; R619-I721 VanDerWaalsContact O-CD1 3.3Å; R619-I721 WeakPolarHBondContact O-CD1 3.34Å; R619-Y811 WeakPolarHBondContact CG-O 3.18Å; R619-H812 WeakPolarHBondContact CD-O 3.39Å; R619-H812 HydrophobicContact CG-CB 3.91Å
620	V	88.4	Confident	94.2	Very high	72 Å²	72	26.4 Å²	26.4	44%	0.436	15%	0.146	S	C	.	.			trans	-92.2	-11.9	175.3	-58.6	0	0	0	0	114	Y618 I719 I721	Y618-V620 PolarHBondContact O-N 3.04Å; V620-I719 HydrophobicContact CB-CG2 3.98Å; V620-I719 HydrophobicContact CG1-CG2 4.01Å; V620-I719 HydrophobicContact CG2-CG2 4.47Å; V620-I721 HydrophobicContact CG1-CD1 4.23Å; V620-I721 HydrophobicContact CG1-CG1 4.26Å
621	G	87.2	Confident	94.2	Very high	26 Å²	26	26.5 Å²	26.5	27%	0.268	15%	0.146	S	C	.	.	S	Bend	trans	-67.1	144.7	178.3	0	0	0	0	0	112
622	K	87.8	Confident	94.2	Very high	68 Å²	68	26.5 Å²	26.5	30%	0.296	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	129.5	179.6	-169.2	-165.2	168.1	-170.8	0	110	I565 F569 N570 E571 N625	I565-K622 HydrophobicContact CD1-CD 4.1Å; F569-K622 PolarHBondContact O-N 3.26Å; F569-K622 VanDerWaalsContact O-N 3.13Å; N570-K622 CarbonylContact C-O 3.55Å; N570-K622 WeakPolarHBondContact CA-O 3.47Å; N570-K622 VanDerWaalsContact CB-O 3.24Å; N570-K622 WeakPolarHBondContact CB-O 3.39Å; N570-K622 PolarHBondContact OD1-O 3.34Å; E571-K622 PolarHBondContact N-O 3.13Å; K622-N625 WeakPolarHBondContact CE-OD1 3.49Å; K622-N625 PolarHBondContact NZ-ND2 3.06Å; K622-N625 PolarHBondContact NZ-OD1 3.23Å
623	P	93.4	Very high	94.2	Very high	20 Å²	20	26 Å²	26	13%	0.13	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	157.5	168.9	27.5	-34.5	0	0	0	110.9	E571 L573 F575 R578 N625	E571-P623 HydrophobicContact CG-CB 4.3Å; L573-P623 CarbonylContact O-C 3.03Å; L573-P623 VanDerWaalsContact O-CA 3.25Å; L573-P623 WeakPolarHBondContact O-CA 3.48Å; L573-P623 VanDerWaalsContact O-CB 3.3Å; L573-P623 WeakPolarHBondContact O-CB 3.44Å; F575-P623 HydrophobicContact CB-CG 4.46Å; F575-P623 HydrophobicContact CD2-CG 4.09Å; R578-P623 HydrophobicContact CB-CB 4.16Å; R578-P623 HydrophobicContact CB-CG 4.22Å; R578-P623 HydrophobicContact CG-CG 4.29Å; P623-N625 PolarHBondContact O-N 3.4Å
624	F	92.9	Very high	94.2	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	129.8	169.3	-78.3	-102.5	0	0	0	109.4	V567 N570 E571 L573 S574 F575 S626 D837 Q838 M841	V567-F624 HydrophobicContact CB-CZ 4.32Å; V567-F624 HydrophobicContact CG1-CE1 4.01Å; V567-F624 HydrophobicContact CG1-CZ 4.11Å; N570-F624 HydrophobicContact CB-CD2 4.15Å; N570-F624 HydrophobicContact CB-CE2 3.86Å; N570-F624 HydrophobicContact CB-CZ 4.33Å; E571-F624 VanDerWaalsContact O-CD2 3.28Å; E571-F624 WeakPolarHBondContact O-CD2 3.21Å; E571-F624 WeakPolarHBondContact O-CE2 3.3Å; L573-F624 PolarHBondContact O-N 2.84Å; S574-F624 CarbonylContact C-O 3.39Å; S574-F624 WeakPolarHBondContact CA-O 3.44Å; F575-F624 PolarHBondContact N-O 3.18Å; F624-S626 PolarHBondContact O-N 3.12Å; F624-S626 VanDerWaalsContact O-N 3.13Å; F624-D837 HydrophobicContact CE1-CB 4.28Å; F624-D837 WeakPolarHBondContact CE1-OD2 3.42Å; F624-Q838 HydrophobicContact CD2-CB 4.34Å; F624-Q838 HydrophobicContact CD2-CG 4.26Å; F624-Q838 HydrophobicContact CE2-CB 4.35Å; F624-Q838 HydrophobicContact CE2-CG 4.38Å; F624-M841 HydrophobicContact CE2-CB 4.34Å; F624-M841 HydrophobicContact CE2-CG 4.42Å; F624-M841 HydrophobicContact CE2-SD 3.35Å; F624-M841 WeakPolarHBondContact CE2-SD 3.48Å; F624-M841 HydrophobicContact CZ-CB 4.03Å; F624-M841 HydrophobicContact CZ-CG 4.37Å; F624-M841 HydrophobicContact CZ-SD 3.44Å; F624-M841 WeakPolarHBondContact CZ-SD 3.44Å
625	N	90.2	Very high	94.3	Very high	83 Å²	83	26.4 Å²	26.4	44%	0.444	14%	0.144	S	C	.	.	P	Polyproline II helix	trans	-60.1	119	168.4	-75	-8.3	0	0	0	107.6	K622 P623 R835	K622-N625 WeakPolarHBondContact CE-OD1 3.49Å; K622-N625 PolarHBondContact NZ-ND2 3.06Å; K622-N625 PolarHBondContact NZ-OD1 3.23Å; P623-N625 PolarHBondContact O-N 3.4Å; N625-R835 PolarHBondContact O-NH1 2.91Å
626	S	94.6	Very high	94.4	Very high	8 Å²	8	25.6 Å²	25.6	6%	0.056	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-64	141.3	178.9	-60.7	0	0	0	0	111.2	F575 L576 F624 E630	F575-S626 PolarHBondContact N-OG 3.43Å; L576-S626 WeakPolarHBondContact CG-OG 3.49Å; L576-S626 PolarHBondContact N-OG 2.97Å; F624-S626 PolarHBondContact O-N 3.12Å; F624-S626 VanDerWaalsContact O-N 3.13Å; S626-E630 VanDerWaalsContact CA-OE2 3.31Å; S626-E630 WeakPolarHBondContact CA-OE2 3.44Å
627	L	95.4	Very high	94.5	Very high	13 Å²	13	27.2 Å²	27.2	7%	0.068	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-73.5	151.5	178	-54.8	-178.5	0	0	0	110	G629 E630 Q648 L856 Q860 Y920	L627-G629 PolarHBondContact O-N 3.47Å; L627-E630 HydrophobicContact CB-CB 4.24Å; L627-E630 PolarHBondContact N-OE2 2.77Å; L627-E630 WeakPolarHBondContact O-CB 3.42Å; L627-E630 PolarHBondContact O-N 3.38Å; L627-Q648 WeakPolarHBondContact O-CB 3.36Å; L627-Q648 VanDerWaalsContact O-CG 3.27Å; L627-Q648 WeakPolarHBondContact O-CG 3.39Å; L627-L856 HydrophobicContact CD1-CB 4.37Å; L627-L856 HydrophobicContact CD1-CD1 4.38Å; L627-L856 HydrophobicContact CD1-CD2 4.11Å; L627-Q860 HydrophobicContact CD2-CG 4.29Å; L627-Y920 HydrophobicContact CD1-CD1 3.8Å; L627-Y920 HydrophobicContact CD1-CE1 3.83Å
628	L	96.2	Very high	94.5	Very high	13 Å²	13	28 Å²	28	7%	0.068	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	124.5	175.2	-173.7	62.7	0	0	0	109.9	E630 H651 L880 F881	L628-E630 VanDerWaalsContact C-N 3.33Å; L628-H651 HydrophobicContact CD1-CB 4.29Å; L628-H651 HydrophobicContact CD2-CB 4.26Å; L628-L880 HydrophobicContact CD2-CD2 3.88Å; L628-L880 HydrophobicContact CD2-CG 4.07Å; L628-F881 HydrophobicContact CD1-CB 4.18Å; L628-F881 HydrophobicContact CD1-CD1 3.64Å; L628-F881 HydrophobicContact CD1-CE1 4.39Å; L628-F881 HydrophobicContact CD1-CG 4.15Å; L628-F881 HydrophobicContact CD2-CB 3.53Å; L628-F881 HydrophobicContact CD2-CD1 4.47Å; L628-F881 HydrophobicContact CD2-CG 4.14Å; L628-F881 HydrophobicContact CG-CB 3.77Å; L628-F881 HydrophobicContact CG-CD1 3.77Å; L628-F881 HydrophobicContact CG-CG 3.8Å
629	G	97.1	Very high	94.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	1.8	-173	0	0	0	0	0	115.5	L627 Q648	L627-G629 PolarHBondContact O-N 3.47Å; G629-Q648 PolarHBondContact N-O 3.09Å
630	E	98.5	Very high	95	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.143	C	C	.	.			trans	-61.6	140.2	168.5	-168.7	176.8	140.1	0	0	109.9	S574 L576 S626 L627 L628 E647 Q648 S832 R835 I919 Y920	S574-E630 VanDerWaalsContact CB-OE1 3.23Å; S574-E630 WeakPolarHBondContact CB-OE1 3.19Å; S574-E630 PolarHBondContact OG-OE1 2.84Å; L576-E630 HydrophobicContact CD1-CB 4.25Å; L576-E630 HydrophobicContact CD1-CG 4.13Å; L576-E630 VanDerWaalsContact CD1-O 3.27Å; L576-E630 WeakPolarHBondContact CD1-O 3.33Å; S626-E630 VanDerWaalsContact CA-OE2 3.31Å; S626-E630 WeakPolarHBondContact CA-OE2 3.44Å; L627-E630 HydrophobicContact CB-CB 4.24Å; L627-E630 PolarHBondContact N-OE2 2.77Å; L627-E630 WeakPolarHBondContact O-CB 3.42Å; L627-E630 PolarHBondContact O-N 3.38Å; L628-E630 VanDerWaalsContact C-N 3.33Å; E630-E647 CarbonylContact O-C 3.51Å; E630-E647 WeakPolarHBondContact O-CA 3.23Å; E630-Q648 HydrophobicContact CB-CB 4.47Å; E630-Q648 PolarHBondContact O-N 3.01Å; E630-S832 WeakPolarHBondContact OE1-CB 3.41Å; E630-S832 PolarHBondContact OE1-OG 2.93Å; E630-R835 IonicContact OE2-CZ 3.41Å; E630-R835 IonicContact OE2-NH1 2.75Å; E630-R835 PolarHBondContact OE2-NH1 2.91Å; E630-I919 VanDerWaalsContact CA-CD1 3.4Å; E630-I919 HydrophobicContact CB-CD1 3.91Å; E630-I919 HydrophobicContact CG-CD1 4.37Å; E630-Y920 WeakPolarHBondContact CG-OH 3.28Å
631	T	98.6	Very high	95.4	Very high	1 Å²	1	22 Å²	22	1%	0.006	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	158.4	178.4	57.9	0	0	0	0	110.5	S646 E647 T830 D831 S832	T631-S646 CarbonylContact C-O 3.59Å; T631-S646 VanDerWaalsContact CA-O 3.25Å; T631-S646 WeakPolarHBondContact CA-O 3.05Å; T631-E647 HydrophobicContact CG2-CB 4.44Å; T631-E647 HydrophobicContact CG2-CG 4.23Å; T631-T830 WeakPolarHBondContact CG2-OG1 3.49Å; T631-T830 PolarHBondContact N-O 3.41Å; T631-T830 VanDerWaalsContact OG1-C 3.28Å; T631-T830 WeakPolarHBondContact OG1-CB 3.22Å; T631-T830 PolarHBondContact OG1-O 2.89Å; T631-T830 PolarHBondContact OG1-OG1 3.23Å; T631-D831 CarbonylContact O-C 3.54Å; T631-D831 WeakPolarHBondContact O-CA 3.31Å; T631-D831 PolarHBondContact OG1-N 3.04Å; T631-S832 PolarHBondContact O-N 2.6Å; T631-S832 PolarHBondContact O-OG 2.79Å
632	Y	98.8	Very high	96	Very high	3 Å²	3	20.8 Å²	20.8	1%	0.012	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	119.4	166.3	179	-116.1	0	0	0	110.1	Q577 V580 C634 S646 L820 R833	Q577-Y632 HydrophobicContact CB-CD1 4.41Å; Q577-Y632 HydrophobicContact CB-CE1 4.29Å; Q577-Y632 HydrophobicContact CG-CD1 3.78Å; Q577-Y632 HydrophobicContact CG-CD2 3.65Å; Q577-Y632 HydrophobicContact CG-CE1 3.72Å; Q577-Y632 HydrophobicContact CG-CE2 3.58Å; Q577-Y632 HydrophobicContact CG-CG 3.75Å; V580-Y632 HydrophobicContact CB-CD1 4.34Å; V580-Y632 HydrophobicContact CB-CE1 3.94Å; V580-Y632 HydrophobicContact CG1-CE1 4.17Å; V580-Y632 HydrophobicContact CG2-CD1 3.64Å; V580-Y632 HydrophobicContact CG2-CE1 3.67Å; Y632-C634 HydrophobicContact CE1-CB 3.9Å; Y632-S646 PolarHBondContact N-O 2.59Å; Y632-S646 PolarHBondContact O-N 3.25Å; Y632-L820 HydrophobicContact CE1-CD2 4.37Å; Y632-L820 WeakPolarHBondContact CE2-O 3.19Å; Y632-L820 WeakPolarHBondContact OH-CA 3.39Å; Y632-L820 VanDerWaalsContact OH-CD2 3.3Å; Y632-L820 WeakPolarHBondContact OH-CD2 3.28Å; Y632-L820 PolarHBondContact OH-O 3Å; Y632-R833 HydrophobicContact CE2-CG 4.32Å
633	E	98.3	Very high	96.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	141.8	169	59.7	165	-113	0	0	111	C644 I645 V827 D831 R833 Y904 W905 K908	E633-C644 CarbonylContact C-O 3.53Å; E633-C644 WeakPolarHBondContact CA-O 3.47Å; E633-I645 HydrophobicContact CB-CD1 4.2Å; E633-V827 HydrophobicContact CG-CG1 4.29Å; E633-D831 PolarHBondContact N-OD2 2.8Å; E633-R833 PolarHBondContact O-NH2 3.45Å; E633-R833 IonicContact OE1-NH2 2.98Å; E633-Y904 HydrophobicContact CB-CE1 3.71Å; E633-Y904 VanDerWaalsContact CD-OH 3.32Å; E633-Y904 HydrophobicContact CG-CE1 4.24Å; E633-Y904 WeakPolarHBondContact CG-OH 3.49Å; E633-Y904 WeakPolarHBondContact OE2-CE1 3.5Å; E633-Y904 VanDerWaalsContact OE2-CZ 3.22Å; E633-Y904 PolarHBondContact OE2-OH 3.33Å; E633-W905 HydrophobicContact CB-CH2 3.97Å; E633-W905 HydrophobicContact CB-CZ3 4.26Å; E633-K908 WeakPolarHBondContact OE1-CE 3.28Å; E633-K908 IonicContact OE1-NZ 3.93Å; E633-K908 PolarHBondContact OE1-NZ 2.7Å; E633-K908 VanDerWaalsContact OE2-CD 3.28Å; E633-K908 WeakPolarHBondContact OE2-CD 3.24Å; E633-K908 WeakPolarHBondContact OE2-CE 3.43Å; E633-K908 IonicContact OE2-NZ 2.78Å
634	C	98.3	Very high	96.7	Very high	3 Å²	3	19.2 Å²	19.2	2%	0.02	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	106.7	169.9	-169.7	0	0	0	0	108.6	V580 Y632 W642 R643 C644	V580-C634 HydrophobicContact CG1-CB 3.7Å; V580-C634 HydrophobicContact CG2-CB 4.37Å; Y632-C634 HydrophobicContact CE1-CB 3.9Å; C634-W642 HydrophobicContact CB-CZ3 4.21Å; C634-R643 CarbonylContact O-C 3.57Å; C634-R643 VanDerWaalsContact O-CA 3.3Å; C634-R643 WeakPolarHBondContact O-CA 3.35Å; C634-C644 HydrophobicContact CB-CB 4.39Å; C634-C644 PolarHBondContact N-O 3.42Å; C634-C644 PolarHBondContact O-N 3.13Å
635	D	97.4	Very high	97	Very high	35 Å²	35	19.2 Å²	19.2	19%	0.187	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	110.9	177.5	-167.4	-15.2	0	0	0	109.8	R534 T637 W905	R534-D635 PolarHBondContact NH2-O 3.48Å; D635-T637 VanDerWaalsContact OD1-CB 3.26Å; D635-T637 WeakPolarHBondContact OD1-CB 3.46Å; D635-T637 WeakPolarHBondContact OD1-CG2 3.22Å; D635-T637 PolarHBondContact OD1-N 3.32Å; D635-T637 PolarHBondContact OD1-OG1 2.87Å; D635-W905 HydrophobicContact CB-CH2 4.46Å; D635-W905 HydrophobicContact CB-CZ3 4.37Å
636	R	97.2	Very high	97.4	Very high	8 Å²	8	15.2 Å²	15.2	3%	0.03	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	23.8	176.3	-56	-57.3	-62.1	-117.9	7.6	110.6	R534 D638 D639 M640 G641 W642 F816 E819	R534-R636 VanDerWaalsContact CZ-NE 3.27Å; R534-R636 VanDerWaalsContact NH2-CD 3.31Å; R636-D638 PolarHBondContact O-N 2.92Å; R636-D639 WeakPolarHBondContact CA-OD1 3.31Å; R636-D639 WeakPolarHBondContact CB-OD1 3.36Å; R636-D639 IonicContact CZ-OD1 3.92Å; R636-D639 IonicContact CZ-OD2 3.3Å; R636-D639 IonicContact NE-OD1 3.64Å; R636-D639 PolarHBondContact NE-OD1 3.12Å; R636-D639 IonicContact NE-OD2 2.83Å; R636-D639 PolarHBondContact NE-OD2 3.15Å; R636-D639 IonicContact NH2-OD1 3.65Å; R636-D639 IonicContact NH2-OD2 2.77Å; R636-D639 PolarHBondContact NH2-OD2 3.37Å; R636-D639 PolarHBondContact O-N 3.31Å; R636-M640 HydrophobicContact CB-CB 3.85Å; R636-M640 HydrophobicContact CB-CG 4.17Å; R636-M640 HydrophobicContact CB-SD 4.3Å; R636-M640 HydrophobicContact CG-SD 4.21Å; R636-M640 CarbonylContact O-C 3.55Å; R636-M640 WeakPolarHBondContact O-CA 3.38Å; R636-M640 PolarHBondContact O-N 3.43Å; R636-G641 PolarHBondContact O-N 3.33Å; R636-W642 CarbonylContact C-O 3.58Å; R636-W642 WeakPolarHBondContact CA-O 3.49Å; R636-W642 HydrophobicContact CB-CD2 4Å; R636-W642 HydrophobicContact CB-CE3 4.29Å; R636-W642 HydrophobicContact CB-CH2 4.25Å; R636-W642 HydrophobicContact CB-CZ2 4Å; R636-W642 HydrophobicContact CB-CZ3 4.38Å; R636-W642 WeakPolarHBondContact CB-O 3.36Å; R636-W642 HydrophobicContact CG-CD2 4.26Å; R636-W642 HydrophobicContact CG-CE3 4.26Å; R636-W642 HydrophobicContact CG-CH2 3.44Å; R636-W642 VanDerWaalsContact CG-CH2 3.44Å; R636-W642 HydrophobicContact CG-CZ2 3.46Å; R636-W642 VanDerWaalsContact CG-CZ2 3.46Å; R636-W642 HydrophobicContact CG-CZ3 3.86Å; R636-W642 PolarHBondContact N-O 3.36Å; R636-F816 VanDerWaalsContact NH1-CD2 3.3Å; R636-E819 IonicContact CZ-OE2 2.79Å; R636-E819 IonicContact NH1-OE2 3.57Å; R636-E819 PolarHBondContact NH1-OE2 2.76Å; R636-E819 IonicContact NH2-OE2 3.64Å; R636-E819 PolarHBondContact NH2-OE2 2.99Å
637	T	96.8	Very high	97.6	Very high	48 Å²	48	14.9 Å²	14.9	29%	0.294	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-27.6	-175.2	52	0	0	0	0	112.6	D635 W642 R643 L663	D635-T637 VanDerWaalsContact OD1-CB 3.26Å; D635-T637 WeakPolarHBondContact OD1-CB 3.46Å; D635-T637 WeakPolarHBondContact OD1-CG2 3.22Å; D635-T637 PolarHBondContact OD1-N 3.32Å; D635-T637 PolarHBondContact OD1-OG1 2.87Å; T637-W642 PolarHBondContact N-O 2.87Å; T637-R643 HydrophobicContact CG2-CB 3.97Å; T637-R643 HydrophobicContact CG2-CG 4.29Å; T637-L663 HydrophobicContact CG2-CD1 3.51Å; T637-L663 HydrophobicContact CG2-CG 3.95Å
638	D	95.1	Very high	97.7	Very high	40 Å²	40	14.7 Å²	14.7	21%	0.214	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-39.5	-179.9	65.5	-31.7	0	0	0	113.4	R532 R534 R636	R532-D638 VanDerWaalsContact CB-OD2 3.31Å; R532-D638 WeakPolarHBondContact CB-OD2 3.41Å; R532-D638 PolarHBondContact N-OD2 2.93Å; R534-D638 IonicContact NH2-OD1 2.92Å; R534-D638 PolarHBondContact NH2-OD1 2.93Å; R534-D638 VanDerWaalsContact NH2-OD1 3.11Å; R636-D638 PolarHBondContact O-N 2.92Å
639	D	95.9	Very high	97.7	Very high	43 Å²	43	14.5 Å²	14.5	23%	0.23	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-55.1	-179.1	51.9	15.3	0	0	0	113.5	V531 R534 R636 R664	V531-D639 HydrophobicContact CG1-CB 4.09Å; R534-D639 IonicContact CZ-OD2 3.74Å; R534-D639 IonicContact NE-OD2 3.26Å; R534-D639 PolarHBondContact NE-OD2 2.84Å; R534-D639 VanDerWaalsContact NE-OD2 3.1Å; R534-D639 IonicContact NH2-OD1 2.58Å; R534-D639 IonicContact NH2-OD2 2.77Å; R636-D639 WeakPolarHBondContact CA-OD1 3.31Å; R636-D639 WeakPolarHBondContact CB-OD1 3.36Å; R636-D639 IonicContact CZ-OD1 3.92Å; R636-D639 IonicContact CZ-OD2 3.3Å; R636-D639 IonicContact NE-OD1 3.64Å; R636-D639 PolarHBondContact NE-OD1 3.12Å; R636-D639 IonicContact NE-OD2 2.83Å; R636-D639 PolarHBondContact NE-OD2 3.15Å; R636-D639 IonicContact NH2-OD1 3.65Å; R636-D639 IonicContact NH2-OD2 2.77Å; R636-D639 PolarHBondContact NH2-OD2 3.37Å; R636-D639 PolarHBondContact O-N 3.31Å; D639-R664 PolarHBondContact O-NH2 3.45Å
640	M	96.9	Very high	97.4	Very high	47 Å²	47	16 Å²	16	23%	0.232	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-8.8	-175.5	-54.4	-179.5	169.3	0	0	114.3	R636 W642 F816	R636-M640 HydrophobicContact CB-CB 3.85Å; R636-M640 HydrophobicContact CB-CG 4.17Å; R636-M640 HydrophobicContact CB-SD 4.3Å; R636-M640 HydrophobicContact CG-SD 4.21Å; R636-M640 CarbonylContact O-C 3.55Å; R636-M640 WeakPolarHBondContact O-CA 3.38Å; R636-M640 PolarHBondContact O-N 3.43Å; M640-W642 HydrophobicContact CB-CG 4.47Å; M640-W642 PolarHBondContact O-N 3.1Å; M640-W642 HydrophobicContact SD-CZ2 3.84Å; M640-F816 HydrophobicContact CE-CD2 3.93Å; M640-F816 HydrophobicContact CE-CE2 4.09Å; M640-F816 HydrophobicContact SD-CD2 4.48Å; M640-F816 HydrophobicContact SD-CE2 4.04Å
641	G	97.7	Very high	96.7	Very high	2 Å²	2	18.4 Å²	18.4	2%	0.021	10%	0.096	C	C	.	.	S	Bend	trans	79.9	8.4	175.2	0	0	0	0	0	115.9	R636 S662 L663 R664	R636-G641 PolarHBondContact O-N 3.33Å; G641-S662 CarbonylContact O-C 3.37Å; G641-S662 WeakPolarHBondContact O-CA 3.47Å; G641-S662 PolarHBondContact O-OG 2.81Å; G641-L663 PolarHBondContact O-N 3.24Å; G641-R664 PolarHBondContact O-N 2.87Å
642	W	98.5	Very high	95.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	162.1	-179.2	61.7	-99	0	0	0	113	V580 F583 S586 C634 R636 T637 M640 C644 C660 E661 W667 F816	V580-W642 HydrophobicContact CG1-CH2 4.16Å; F583-W642 HydrophobicContact CB-CH2 3.82Å; F583-W642 HydrophobicContact CB-CZ2 3.61Å; F583-W642 HydrophobicContact CB-CZ3 4.43Å; S586-W642 PolarHBondContact OG-NE1 3.47Å; C634-W642 HydrophobicContact CB-CZ3 4.21Å; R636-W642 CarbonylContact C-O 3.58Å; R636-W642 WeakPolarHBondContact CA-O 3.49Å; R636-W642 HydrophobicContact CB-CD2 4Å; R636-W642 HydrophobicContact CB-CE3 4.29Å; R636-W642 HydrophobicContact CB-CH2 4.25Å; R636-W642 HydrophobicContact CB-CZ2 4Å; R636-W642 HydrophobicContact CB-CZ3 4.38Å; R636-W642 WeakPolarHBondContact CB-O 3.36Å; R636-W642 HydrophobicContact CG-CD2 4.26Å; R636-W642 HydrophobicContact CG-CE3 4.26Å; R636-W642 HydrophobicContact CG-CH2 3.44Å; R636-W642 VanDerWaalsContact CG-CH2 3.44Å; R636-W642 HydrophobicContact CG-CZ2 3.46Å; R636-W642 VanDerWaalsContact CG-CZ2 3.46Å; R636-W642 HydrophobicContact CG-CZ3 3.86Å; R636-W642 PolarHBondContact N-O 3.36Å; T637-W642 PolarHBondContact N-O 2.87Å; M640-W642 HydrophobicContact CB-CG 4.47Å; M640-W642 PolarHBondContact O-N 3.1Å; M640-W642 HydrophobicContact SD-CZ2 3.84Å; W642-C644 HydrophobicContact CE3-CB 4.17Å; W642-C644 HydrophobicContact CZ3-CB 3.78Å; W642-C660 VanDerWaalsContact CE3-SG 3.6Å; W642-E661 CarbonylContact C-O 3.57Å; W642-E661 WeakPolarHBondContact CA-O 3.44Å; W642-E661 VanDerWaalsContact CB-O 3.32Å; W642-E661 WeakPolarHBondContact CB-O 3.23Å; W642-W667 HydrophobicContact CB-CH2 3.7Å; W642-W667 HydrophobicContact CB-CZ2 3.99Å; W642-W667 AromaticContact CG-CH2 3.88Å; W642-W667 HydrophobicContact CG-CH2 3.88Å; W642-W667 HydrophobicContact CG-CZ2 4.19Å; W642-F816 HydrophobicContact CH2-CE2 4.29Å; W642-F816 AromaticContact CH2-CZ 3.86Å; W642-F816 HydrophobicContact CH2-CZ 3.86Å; W642-F816 HydrophobicContact CZ2-CE2 4.04Å; W642-F816 AromaticContact CZ2-CZ 3.95Å; W642-F816 HydrophobicContact CZ2-CZ 3.95Å
643	R	98.4	Very high	94.6	Very high	55 Å²	55	27.9 Å²	27.9	21%	0.208	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	150.3	172	63.4	-173.2	-175.5	174.6	3.2	110.7	C634 T637 C660 E661 W905	C634-R643 CarbonylContact O-C 3.57Å; C634-R643 VanDerWaalsContact O-CA 3.3Å; C634-R643 WeakPolarHBondContact O-CA 3.35Å; T637-R643 HydrophobicContact CG2-CB 3.97Å; T637-R643 HydrophobicContact CG2-CG 4.29Å; R643-C660 WeakPolarHBondContact O-CA 3.32Å; R643-E661 HydrophobicContact CG-CG 4.03Å; R643-E661 IonicContact CZ-OE1 3.23Å; R643-E661 VanDerWaalsContact CZ-OE1 3.25Å; R643-E661 PolarHBondContact N-O 3.13Å; R643-E661 IonicContact NE-OE1 3.3Å; R643-E661 PolarHBondContact NE-OE1 3.38Å; R643-E661 IonicContact NH2-OE1 2.65Å; R643-E661 PolarHBondContact NH2-OE1 2.94Å; R643-E661 PolarHBondContact O-N 3.11Å; R643-W905 HydrophobicContact CB-CH2 3.78Å; R643-W905 HydrophobicContact CB-CZ2 3.64Å; R643-W905 VanDerWaalsContact CD-CE2 3.48Å; R643-W905 HydrophobicContact CG-CH2 4.2Å; R643-W905 HydrophobicContact CG-CZ2 3.62Å; R643-W905 VanDerWaalsContact CZ-CG 3.47Å
644	C	98.8	Very high	94	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.007	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	143.5	-175.3	-173.2	0	0	0	0	111	V580 E633 C634 W642 Q658 Y659 C660	V580-C644 HydrophobicContact CG2-CB 4.5Å; E633-C644 CarbonylContact C-O 3.53Å; E633-C644 WeakPolarHBondContact CA-O 3.47Å; C634-C644 HydrophobicContact CB-CB 4.39Å; C634-C644 PolarHBondContact N-O 3.42Å; C634-C644 PolarHBondContact O-N 3.13Å; W642-C644 HydrophobicContact CE3-CB 4.17Å; W642-C644 HydrophobicContact CZ3-CB 3.78Å; C644-Q658 WeakPolarHBondContact SG-CG 3.3Å; C644-Y659 CarbonylContact C-O 3.53Å; C644-Y659 WeakPolarHBondContact CA-O 3.38Å; C644-C660 HydrophobicContact CB-CB 3.99Å
645	I	98.7	Very high	93.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136	169.6	-179.4	58.8	0	0	0	109.2	E633 Q658 Y659 F886 Y900 Y904 W905	E633-I645 HydrophobicContact CB-CD1 4.2Å; I645-Q658 WeakPolarHBondContact O-CA 3.01Å; I645-Y659 PolarHBondContact N-O 3Å; I645-Y659 PolarHBondContact O-N 2.92Å; I645-F886 HydrophobicContact CG2-CZ 4.31Å; I645-Y900 HydrophobicContact CG2-CD2 3.91Å; I645-Y900 HydrophobicContact CG2-CE2 3.57Å; I645-Y904 HydrophobicContact CB-CD1 4.47Å; I645-Y904 HydrophobicContact CD1-CD1 4.01Å; I645-Y904 HydrophobicContact CD1-CD2 3.62Å; I645-Y904 HydrophobicContact CD1-CE1 3.89Å; I645-Y904 HydrophobicContact CD1-CE2 3.48Å; I645-Y904 VanDerWaalsContact CD1-CE2 3.48Å; I645-Y904 HydrophobicContact CD1-CG 3.91Å; I645-Y904 HydrophobicContact CG1-CD1 4.16Å; I645-Y904 HydrophobicContact CG1-CD2 3.9Å; I645-Y904 HydrophobicContact CG1-CE2 4.29Å; I645-Y904 HydrophobicContact CG1-CG 3.86Å; I645-W905 HydrophobicContact CB-CZ2 4.39Å
646	S	98.6	Very high	93.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	146.3	174.9	-41.1	0	0	0	0	110.4	T631 Y632 S657 Q658	T631-S646 CarbonylContact C-O 3.59Å; T631-S646 VanDerWaalsContact CA-O 3.25Å; T631-S646 WeakPolarHBondContact CA-O 3.05Å; Y632-S646 PolarHBondContact N-O 2.59Å; Y632-S646 PolarHBondContact O-N 3.25Å; S646-S657 CarbonylContact C-O 3.48Å; S646-S657 WeakPolarHBondContact CA-O 3.35Å; S646-Q658 WeakPolarHBondContact OG-CG 3.18Å; S646-Q658 PolarHBondContact OG-NE2 3.27Å; S646-Q658 VanDerWaalsContact OG-NE2 3.14Å
647	E	98.5	Very high	93.7	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	137.6	175.6	-176.2	175.8	-175.7	0	0	110.2	E630 T631 V649 C656 S657 F881 P883 V884 W885 F886	E630-E647 CarbonylContact O-C 3.51Å; E630-E647 WeakPolarHBondContact O-CA 3.23Å; T631-E647 HydrophobicContact CG2-CB 4.44Å; T631-E647 HydrophobicContact CG2-CG 4.23Å; E647-V649 HydrophobicContact CB-CG1 4.24Å; E647-V649 HydrophobicContact CG-CG1 4.24Å; E647-V649 PolarHBondContact O-N 3.12Å; E647-V649 VanDerWaalsContact O-N 3.15Å; E647-C656 CarbonylContact O-C 3.54Å; E647-C656 VanDerWaalsContact O-CA 3.23Å; E647-C656 WeakPolarHBondContact O-CA 3.44Å; E647-C656 WeakPolarHBondContact O-CB 3.32Å; E647-S657 PolarHBondContact N-O 2.7Å; E647-S657 PolarHBondContact O-N 3.27Å; E647-F881 WeakPolarHBondContact OE1-CZ 3.43Å; E647-P883 WeakPolarHBondContact OE1-CA 3.49Å; E647-V884 PolarHBondContact OE1-N 3.41Å; E647-V884 PolarHBondContact OE2-N 3.3Å; E647-W885 WeakPolarHBondContact OE2-CB 3.43Å; E647-W885 PolarHBondContact OE2-N 3.41Å; E647-F886 HydrophobicContact CB-CD2 3.69Å; E647-F886 HydrophobicContact CB-CE2 3.76Å; E647-F886 WeakPolarHBondContact OE2-CD2 3.34Å
648	Q	97.7	Very high	93.8	Very high	8 Å²	8	25.9 Å²	25.9	4%	0.037	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	95.9	169	-175.5	74.9	25.2	0	0	109.4	L627 G629 E630 S650 G655	L627-Q648 WeakPolarHBondContact O-CB 3.36Å; L627-Q648 VanDerWaalsContact O-CG 3.27Å; L627-Q648 WeakPolarHBondContact O-CG 3.39Å; G629-Q648 PolarHBondContact N-O 3.09Å; E630-Q648 HydrophobicContact CB-CB 4.47Å; E630-Q648 PolarHBondContact O-N 3.01Å; Q648-S650 PolarHBondContact NE2-O 3.04Å; Q648-G655 PolarHBondContact NE2-O 3.11Å; Q648-G655 VanDerWaalsContact NE2-O 3.09Å
649	V	96	Very high	93.9	Very high	10 Å²	10	25.3 Å²	25.3	6%	0.061	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-19.7	-172.8	-59.3	0	0	0	0	114.3	E647 G655 S657 P883 F886	E647-V649 HydrophobicContact CB-CG1 4.24Å; E647-V649 HydrophobicContact CG-CG1 4.24Å; E647-V649 PolarHBondContact O-N 3.12Å; E647-V649 VanDerWaalsContact O-N 3.15Å; V649-G655 PolarHBondContact N-O 2.89Å; V649-S657 WeakPolarHBondContact CG1-OG 3.39Å; V649-S657 WeakPolarHBondContact CG2-OG 3.29Å; V649-P883 HydrophobicContact CB-CB 4.26Å; V649-P883 HydrophobicContact CB-CG 3.65Å; V649-P883 HydrophobicContact CG1-CB 3.86Å; V649-P883 HydrophobicContact CG1-CG 3.82Å; V649-F886 HydrophobicContact CG1-CB 4.31Å
650	S	91.5	Very high	94.1	Very high	30 Å²	30	23.2 Å²	23.2	21%	0.21	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	148.4	-177	-172.3	0	0	0	0	113	Q648 P653 G655	Q648-S650 PolarHBondContact NE2-O 3.04Å; S650-P653 WeakPolarHBondContact CB-O 3.31Å; S650-P653 PolarHBondContact OG-O 3.21Å; S650-G655 PolarHBondContact N-O 3.06Å; S650-G655 PolarHBondContact O-N 3.14Å
651	H	82.2	Confident	94.1	Very high	51 Å²	51	22.3 Å²	22.3	24%	0.236	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	-35.7	178	-168.1	62	0	0	0	113.5	L628 P653 P654 R864	L628-H651 HydrophobicContact CD1-CB 4.29Å; L628-H651 HydrophobicContact CD2-CB 4.26Å; H651-P653 CarbonylContact C-O 3.22Å; H651-P653 CarbonylContact O-C 3.52Å; H651-P653 VanDerWaalsContact O-C 3.31Å; H651-P654 WeakPolarHBondContact O-CA 3.49Å; H651-P654 VanDerWaalsContact O-CD 3.27Å; H651-P654 WeakPolarHBondContact O-CD 3.32Å; H651-P654 WeakPolarHBondContact O-CG 3.12Å; H651-R864 PolarHBondContact CD2-NH2 3.47Å; H651-R864 VanDerWaalsContact CD2-NH2 3.34Å; H651-R864 PolarHBondContact NE2-NH2 3.05Å
652	H	75.8	Confident	94.2	Very high	127 Å²	127	22.3 Å²	22.3	59%	0.588	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-136.6	92.6	-177.6	-69.9	-35.9	0	0	0	110.5	R864	H652-R864 PolarHBondContact NE2-NH1 3.11Å
653	P	79.4	Confident	94.2	Very high	77 Å²	77	25.6 Å²	25.6	50%	0.5	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	cis	-72.7	153.8	1.9	30.2	-35.1	0	0	0	113.1	S650 H651 G655 F674	S650-P653 WeakPolarHBondContact CB-O 3.31Å; S650-P653 PolarHBondContact OG-O 3.21Å; H651-P653 CarbonylContact C-O 3.22Å; H651-P653 CarbonylContact O-C 3.52Å; H651-P653 VanDerWaalsContact O-C 3.31Å; P653-G655 PolarHBondContact O-N 3.31Å; P653-G655 VanDerWaalsContact O-N 3.15Å; P653-F674 HydrophobicContact CG-CD1 3.97Å
654	P	84.6	Confident	94.1	Very high	48 Å²	48	28.8 Å²	28.8	31%	0.312	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	121.4	173.4	-22	32.3	0	0	0	110.2	H651 L675	H651-P654 WeakPolarHBondContact O-CA 3.49Å; H651-P654 VanDerWaalsContact O-CD 3.27Å; H651-P654 WeakPolarHBondContact O-CD 3.32Å; H651-P654 WeakPolarHBondContact O-CG 3.12Å; P654-L675 PolarHBondContact O-N 3.43Å
655	G	92.5	Very high	94.1	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	131.8	-174.4	0	0	0	0	0	111.9	Q648 V649 S650 P653 Y673	Q648-G655 PolarHBondContact NE2-O 3.11Å; Q648-G655 VanDerWaalsContact NE2-O 3.09Å; V649-G655 PolarHBondContact N-O 2.89Å; S650-G655 PolarHBondContact N-O 3.06Å; S650-G655 PolarHBondContact O-N 3.14Å; P653-G655 PolarHBondContact O-N 3.31Å; P653-G655 VanDerWaalsContact O-N 3.15Å; G655-Y673 VanDerWaalsContact CA-O 3.25Å; G655-Y673 WeakPolarHBondContact CA-O 3.23Å
656	C	96.6	Very high	94.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	153.3	167.2	75.8	0	0	0	0	111.5	F575 L576 E647 D672 Y673	F575-C656 WeakPolarHBondContact CE1-SG 3.3Å; L576-C656 HydrophobicContact CD2-CB 3.35Å; E647-C656 CarbonylContact O-C 3.54Å; E647-C656 VanDerWaalsContact O-CA 3.23Å; E647-C656 WeakPolarHBondContact O-CA 3.44Å; E647-C656 WeakPolarHBondContact O-CB 3.32Å; C656-D672 CarbonylContact O-C 3.52Å; C656-D672 WeakPolarHBondContact O-CA 3.35Å; C656-Y673 PolarHBondContact N-O 3.23Å; C656-Y673 VanDerWaalsContact N-O 3.12Å; C656-Y673 PolarHBondContact O-N 3.29Å
657	S	97.7	Very high	94.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	143.3	179.3	-62	0	0	0	0	109.8	S646 E647 V649 D672 H898	S646-S657 CarbonylContact C-O 3.48Å; S646-S657 WeakPolarHBondContact CA-O 3.35Å; E647-S657 PolarHBondContact N-O 2.7Å; E647-S657 PolarHBondContact O-N 3.27Å; V649-S657 WeakPolarHBondContact CG1-OG 3.39Å; V649-S657 WeakPolarHBondContact CG2-OG 3.29Å; S657-D672 WeakPolarHBondContact CA-OD1 3.3Å; S657-D672 WeakPolarHBondContact CB-OD1 3.4Å; S657-D672 PolarHBondContact OG-OD1 3.13Å; S657-H898 WeakPolarHBondContact OG-CB 2.94Å; S657-H898 PolarHBondContact OG-ND1 2.91Å
658	Q	98.1	Very high	94.1	Very high	3 Å²	3	40.3 Å²	40.3	1%	0.014	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	136.8	-174.8	-176.4	176.4	65.5	0	0	110.9	V580 C644 I645 S646 W670 Q671	V580-Q658 VanDerWaalsContact CG2-NE2 3.25Å; C644-Q658 WeakPolarHBondContact SG-CG 3.3Å; I645-Q658 WeakPolarHBondContact O-CA 3.01Å; S646-Q658 WeakPolarHBondContact OG-CG 3.18Å; S646-Q658 PolarHBondContact OG-NE2 3.27Å; S646-Q658 VanDerWaalsContact OG-NE2 3.14Å; Q658-W670 VanDerWaalsContact O-CA 3.27Å; Q658-W670 WeakPolarHBondContact O-CA 3.43Å; Q658-Q671 HydrophobicContact CB-CG 4.17Å; Q658-Q671 PolarHBondContact N-O 2.91Å; Q658-Q671 PolarHBondContact O-N 3.13Å
659	Y	98.7	Very high	94.1	Very high	27 Å²	27	40 Å²	40	11%	0.106	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	126.8	172.3	176.2	-89.4	0	0	0	109.8	C644 I645 E661 K668 W670 Y900	C644-Y659 CarbonylContact C-O 3.53Å; C644-Y659 WeakPolarHBondContact CA-O 3.38Å; I645-Y659 PolarHBondContact N-O 3Å; I645-Y659 PolarHBondContact O-N 2.92Å; Y659-E661 HydrophobicContact CE1-CB 3.91Å; Y659-E661 HydrophobicContact CE1-CG 3.97Å; Y659-E661 PolarHBondContact OH-OE2 2.74Å; Y659-K668 WeakPolarHBondContact OH-CD 3.45Å; Y659-W670 HydrophobicContact CD2-CB 4.1Å; Y659-Y900 AromaticContact CD1-CD1 3.32Å; Y659-Y900 HydrophobicContact CD1-CD1 3.32Å; Y659-Y900 AromaticContact CD1-CE1 3.74Å; Y659-Y900 HydrophobicContact CD1-CE1 3.74Å; Y659-Y900 AromaticContact CD1-CG 3.85Å; Y659-Y900 HydrophobicContact CD1-CG 3.85Å; Y659-Y900 HydrophobicContact CD2-CD1 4.05Å; Y659-Y900 HydrophobicContact CD2-CG 4.23Å; Y659-Y900 AromaticContact CE1-CD1 3.56Å; Y659-Y900 HydrophobicContact CE1-CD1 3.56Å; Y659-Y900 AromaticContact CE1-CE1 3.85Å; Y659-Y900 HydrophobicContact CE1-CE1 3.85Å; Y659-Y900 HydrophobicContact CE1-CG 4.49Å; Y659-Y900 HydrophobicContact CE2-CD1 4.26Å; Y659-Y900 AromaticContact CG-CD1 3.6Å; Y659-Y900 HydrophobicContact CG-CD1 3.6Å; Y659-Y900 HydrophobicContact CG-CE1 4.43Å; Y659-Y900 AromaticContact CG-CG 3.71Å; Y659-Y900 HydrophobicContact CG-CG 3.71Å
660	C	98.8	Very high	94.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	137	179.1	-173.9	0	0	0	0	109.9	F583 W642 R643 C644 W667 K668 V669	F583-C660 HydrophobicContact CD1-CB 4.42Å; F583-C660 HydrophobicContact CE1-CB 3.68Å; F583-C660 VanDerWaalsContact CE1-SG 3.58Å; F583-C660 HydrophobicContact CE2-CB 3.83Å; F583-C660 HydrophobicContact CZ-CB 3.34Å; W642-C660 VanDerWaalsContact CE3-SG 3.6Å; R643-C660 WeakPolarHBondContact O-CA 3.32Å; C644-C660 HydrophobicContact CB-CB 3.99Å; C660-W667 HydrophobicContact CB-CZ3 4.49Å; C660-K668 CarbonylContact O-C 3.49Å; C660-K668 WeakPolarHBondContact O-CA 3.09Å; C660-V669 HydrophobicContact CB-CB 4.43Å; C660-V669 PolarHBondContact N-O 2.9Å; C660-V669 PolarHBondContact O-N 3.31Å
661	E	98.5	Very high	94.5	Very high	27 Å²	27	41 Å²	41	13%	0.126	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	138.2	177.3	65.1	-176.7	174.4	0	0	111.5	W642 R643 Y659 L663 K668	W642-E661 CarbonylContact C-O 3.57Å; W642-E661 WeakPolarHBondContact CA-O 3.44Å; W642-E661 VanDerWaalsContact CB-O 3.32Å; W642-E661 WeakPolarHBondContact CB-O 3.23Å; R643-E661 HydrophobicContact CG-CG 4.03Å; R643-E661 IonicContact CZ-OE1 3.23Å; R643-E661 VanDerWaalsContact CZ-OE1 3.25Å; R643-E661 PolarHBondContact N-O 3.13Å; R643-E661 IonicContact NE-OE1 3.3Å; R643-E661 PolarHBondContact NE-OE1 3.38Å; R643-E661 IonicContact NH2-OE1 2.65Å; R643-E661 PolarHBondContact NH2-OE1 2.94Å; R643-E661 PolarHBondContact O-N 3.11Å; Y659-E661 HydrophobicContact CE1-CB 3.91Å; Y659-E661 HydrophobicContact CE1-CG 3.97Å; Y659-E661 PolarHBondContact OH-OE2 2.74Å; E661-L663 HydrophobicContact CG-CD2 4.26Å; E661-K668 HydrophobicContact CB-CG 4.28Å
662	S	98.6	Very high	95.1	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	116	169.1	-179.5	0	0	0	0	110.1	G641 R664 H665 K666 W667	G641-S662 CarbonylContact O-C 3.37Å; G641-S662 WeakPolarHBondContact O-CA 3.47Å; G641-S662 PolarHBondContact O-OG 2.81Å; S662-R664 VanDerWaalsContact C-N 3.26Å; S662-R664 PolarHBondContact OG-N 2.83Å; S662-H665 PolarHBondContact OG-N 3.21Å; S662-K666 WeakPolarHBondContact O-CA 3.49Å; S662-K666 PolarHBondContact O-N 3.42Å; S662-W667 PolarHBondContact N-O 3.15Å
663	L	97.9	Very high	95.9	Very high	69 Å²	69	33.8 Å²	33.8	36%	0.361	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-26.6	171.7	-58.8	-170.7	0	0	0	111.2	T637 G641 E661 K666	T637-L663 HydrophobicContact CG2-CD1 3.51Å; T637-L663 HydrophobicContact CG2-CG 3.95Å; G641-L663 PolarHBondContact O-N 3.24Å; E661-L663 HydrophobicContact CG-CD2 4.26Å; L663-K666 WeakPolarHBondContact O-CD 3.41Å; L663-K666 WeakPolarHBondContact O-CE 3.47Å; L663-K666 PolarHBondContact O-NZ 3.23Å
664	R	97.8	Very high	96.5	Very high	121 Å²	121	31.6 Å²	31.6	46%	0.457	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-54.7	-179.6	-171.2	-175.7	-64.1	164.7	2.4	112.3	D639 G641 S662	D639-R664 PolarHBondContact O-NH2 3.45Å; G641-R664 PolarHBondContact O-N 2.87Å; S662-R664 VanDerWaalsContact C-N 3.26Å; S662-R664 PolarHBondContact OG-N 2.83Å
665	H	97.9	Very high	96.7	Very high	45 Å²	45	31.9 Å²	31.9	21%	0.208	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-0.9	-173.7	-67.3	-76.7	0	0	0	114	D590 Q594 S662 W667	D590-H665 IonicContact OD1-CD2 3.38Å; D590-H665 PolarHBondContact OD1-CD2 3.18Å; D590-H665 IonicContact OD1-CG 2.81Å; D590-H665 IonicContact OD2-CD2 3.95Å; Q594-H665 PolarHBondContact NE2-CE1 3.32Å; Q594-H665 VanDerWaalsContact NE2-CE1 3.33Å; S662-H665 PolarHBondContact OG-N 3.21Å; H665-W667 PolarHBondContact O-N 3.02Å
666	K	98.2	Very high	96.4	Very high	117 Å²	117	33.9 Å²	33.9	51%	0.509	16%	0.155	S	C	.	.			trans	62.1	15	170.1	-52.9	-56.5	-171.3	-167.6	0	115.4	S662 L663 T697	S662-K666 WeakPolarHBondContact O-CA 3.49Å; S662-K666 PolarHBondContact O-N 3.42Å; L663-K666 WeakPolarHBondContact O-CD 3.41Å; L663-K666 WeakPolarHBondContact O-CE 3.47Å; L663-K666 PolarHBondContact O-NZ 3.23Å; K666-T697 HydrophobicContact CB-CG2 3.32Å; K666-T697 HydrophobicContact CG-CG2 4.26Å
667	W	98.7	Very high	95.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.166	C	C	.	.			trans	-74.8	152.9	165.9	56.2	-106.4	0	0	0	110.9	F583 L589 D590 W642 C660 S662 H665 V669 L694 Q695 F696	F583-W667 HydrophobicContact CD1-CH2 4.2Å; F583-W667 HydrophobicContact CD1-CZ3 4.43Å; F583-W667 HydrophobicContact CE1-CH2 4.4Å; F583-W667 HydrophobicContact CE1-CZ3 4.17Å; L589-W667 HydrophobicContact CB-CD2 4.06Å; L589-W667 HydrophobicContact CB-CG 4.2Å; L589-W667 HydrophobicContact CB-CZ2 4.35Å; L589-W667 HydrophobicContact CD1-CD2 4.17Å; L589-W667 HydrophobicContact CD1-CE3 4.03Å; L589-W667 HydrophobicContact CD1-CH2 4.28Å; L589-W667 HydrophobicContact CD1-CZ2 4.37Å; L589-W667 HydrophobicContact CD1-CZ3 4.1Å; D590-W667 PolarHBondContact OD1-NE1 3.19Å; W642-W667 HydrophobicContact CB-CH2 3.7Å; W642-W667 HydrophobicContact CB-CZ2 3.99Å; W642-W667 AromaticContact CG-CH2 3.88Å; W642-W667 HydrophobicContact CG-CH2 3.88Å; W642-W667 HydrophobicContact CG-CZ2 4.19Å; C660-W667 HydrophobicContact CB-CZ3 4.49Å; S662-W667 PolarHBondContact N-O 3.15Å; H665-W667 PolarHBondContact O-N 3.02Å; W667-V669 HydrophobicContact CE3-CG2 4.03Å; W667-V669 HydrophobicContact CZ3-CG2 4.15Å; W667-L694 HydrophobicContact CB-CD1 4.28Å; W667-Q695 CarbonylContact C-O 3.59Å; W667-Q695 VanDerWaalsContact CA-O 3.26Å; W667-Q695 WeakPolarHBondContact CA-O 3.48Å; W667-F696 HydrophobicContact CB-CD1 3.67Å; W667-F696 HydrophobicContact CB-CE1 3.78Å; W667-F696 HydrophobicContact CG-CE1 4.43Å
668	K	98.7	Very high	94.9	Very high	83 Å²	83	41.4 Å²	41.4	36%	0.361	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	136.5	177.7	-61.6	177.6	178.3	-173.7	0	109.6	Y659 C660 E661 W670 L694 Q695	Y659-K668 WeakPolarHBondContact OH-CD 3.45Å; C660-K668 CarbonylContact O-C 3.49Å; C660-K668 WeakPolarHBondContact O-CA 3.09Å; E661-K668 HydrophobicContact CB-CG 4.28Å; K668-W670 HydrophobicContact CB-CE3 4.47Å; K668-W670 HydrophobicContact CB-CZ3 4.33Å; K668-L694 CarbonylContact O-C 3.47Å; K668-L694 WeakPolarHBondContact O-CA 3.32Å; K668-Q695 PolarHBondContact N-O 3.06Å; K668-Q695 PolarHBondContact O-N 2.99Å
669	V	98.8	Very high	93.9	Very high	1 Å²	1	42 Å²	42	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	131.4	173.9	177.8	0	0	0	0	109.2	F583 L589 C660 W667 I692 N693 L694	F583-V669 HydrophobicContact CE1-CB 3.9Å; F583-V669 HydrophobicContact CE1-CG1 4.08Å; F583-V669 HydrophobicContact CE1-CG2 4.07Å; F583-V669 HydrophobicContact CZ-CB 3.93Å; F583-V669 HydrophobicContact CZ-CG1 3.79Å; L589-V669 HydrophobicContact CD1-CG2 3.74Å; C660-V669 HydrophobicContact CB-CB 4.43Å; C660-V669 PolarHBondContact N-O 2.9Å; C660-V669 PolarHBondContact O-N 3.31Å; W667-V669 HydrophobicContact CE3-CG2 4.03Å; W667-V669 HydrophobicContact CZ3-CG2 4.15Å; V669-I692 HydrophobicContact CG1-CG2 4.13Å; V669-N693 CarbonylContact C-O 3.56Å; V669-N693 WeakPolarHBondContact CA-O 3.27Å; V669-L694 HydrophobicContact CG2-CB 4.28Å; V669-L694 HydrophobicContact CG2-CD1 3.59Å
670	W	98.1	Very high	92.7	Very high	55 Å²	55	47.7 Å²	47.7	21%	0.208	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	143.9	169.9	65.7	96.2	0	0	0	111.1	Q658 Y659 K668 N693 Q695	Q658-W670 VanDerWaalsContact O-CA 3.27Å; Q658-W670 WeakPolarHBondContact O-CA 3.43Å; Y659-W670 HydrophobicContact CD2-CB 4.1Å; K668-W670 HydrophobicContact CB-CE3 4.47Å; K668-W670 HydrophobicContact CB-CZ3 4.33Å; W670-N693 HydrophobicContact CD2-CB 3.51Å; W670-N693 HydrophobicContact CE3-CB 4.03Å; W670-N693 HydrophobicContact CG-CB 3.99Å; W670-N693 HydrophobicContact CH2-CB 3.91Å; W670-N693 HydrophobicContact CZ2-CB 3.37Å; W670-N693 HydrophobicContact CZ3-CB 4.21Å; W670-N693 PolarHBondContact N-O 2.73Å; W670-N693 VanDerWaalsContact NE1-CG 3.31Å; W670-N693 PolarHBondContact NE1-ND2 3.35Å; W670-N693 PolarHBondContact O-N 2.87Å; W670-Q695 HydrophobicContact CH2-CB 4.08Å; W670-Q695 HydrophobicContact CZ3-CB 3.85Å
671	Q	96.8	Very high	91.5	Very high	7 Å²	7	48.3 Å²	48.3	3%	0.033	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	153.4	-175.4	59	-176.2	-18.9	0	0	111.5	Q658 Y673 I692	Q658-Q671 HydrophobicContact CB-CG 4.17Å; Q658-Q671 PolarHBondContact N-O 2.91Å; Q658-Q671 PolarHBondContact O-N 3.13Å; Q671-Y673 VanDerWaalsContact CD-OH 3.29Å; Q671-Y673 HydrophobicContact CG-CD2 4.45Å; Q671-Y673 HydrophobicContact CG-CE2 3.77Å; Q671-Y673 PolarHBondContact NE2-OH 3.38Å; Q671-Y673 PolarHBondContact OE1-OH 3.22Å; Q671-I692 HydrophobicContact CB-CB 4.39Å; Q671-I692 HydrophobicContact CB-CG1 4.1Å; Q671-I692 HydrophobicContact CB-CG2 4.33Å; Q671-I692 VanDerWaalsContact OE1-CD1 3.23Å; Q671-I692 VanDerWaalsContact OE1-CG1 3.23Å
672	D	94.8	Very high	90.3	Very high	14 Å²	14	53.9 Å²	53.9	8%	0.075	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	143.7	168.9	-71.8	-19.9	0	0	0	109.8	C656 S657 F674 Y897 H898	C656-D672 CarbonylContact O-C 3.52Å; C656-D672 WeakPolarHBondContact O-CA 3.35Å; S657-D672 WeakPolarHBondContact CA-OD1 3.3Å; S657-D672 WeakPolarHBondContact CB-OD1 3.4Å; S657-D672 PolarHBondContact OG-OD1 3.13Å; D672-F674 HydrophobicContact CB-CD2 4.03Å; D672-F674 HydrophobicContact CB-CE2 3.69Å; D672-Y897 VanDerWaalsContact OD2-CA 3.23Å; D672-Y897 WeakPolarHBondContact OD2-CA 3.43Å; D672-H898 IonicContact OD1-ND1 2.74Å; D672-H898 IonicContact OD2-CE1 3.68Å; D672-H898 IonicContact OD2-CG 2.67Å; D672-H898 PolarHBondContact OD2-N 3.28Å; D672-H898 IonicContact OD2-ND1 3.97Å; D672-H898 PolarHBondContact OD2-ND1 3.34Å
673	Y	93.2	Very high	89.6	Confident	12 Å²	12	57.6 Å²	57.6	5%	0.047	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	106.9	172.4	-65.4	-94.4	0	0	0	110.2	F575 A579 D582 G655 C656 Q671 K706	F575-Y673 HydrophobicContact CE1-CD2 4.47Å; F575-Y673 HydrophobicContact CE1-CG 4.03Å; F575-Y673 HydrophobicContact CZ-CD1 4.02Å; F575-Y673 AromaticContact CZ-CG 3.99Å; F575-Y673 HydrophobicContact CZ-CG 3.99Å; A579-Y673 HydrophobicContact CB-CD2 4.26Å; A579-Y673 HydrophobicContact CB-CE2 3.67Å; D582-Y673 PolarHBondContact OD2-OH 2.82Å; G655-Y673 VanDerWaalsContact CA-O 3.25Å; G655-Y673 WeakPolarHBondContact CA-O 3.23Å; C656-Y673 PolarHBondContact N-O 3.23Å; C656-Y673 VanDerWaalsContact N-O 3.12Å; C656-Y673 PolarHBondContact O-N 3.29Å; Q671-Y673 VanDerWaalsContact CD-OH 3.29Å; Q671-Y673 HydrophobicContact CG-CD2 4.45Å; Q671-Y673 HydrophobicContact CG-CE2 3.77Å; Q671-Y673 PolarHBondContact NE2-OH 3.38Å; Q671-Y673 PolarHBondContact OE1-OH 3.22Å; Y673-K706 HydrophobicContact CE1-CD 3.9Å
674	F	92.3	Very high	89	Confident	30 Å²	30	55.6 Å²	55.6	13%	0.132	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	102.6	169	-68.8	-83.5	0	0	0	109.7	P653 D672 K689 H898	P653-F674 HydrophobicContact CG-CD1 3.97Å; D672-F674 HydrophobicContact CB-CD2 4.03Å; D672-F674 HydrophobicContact CB-CE2 3.69Å; F674-K689 HydrophobicContact CB-CB 4.11Å; F674-K689 PolarHBondContact N-O 2.77Å; F674-K689 WeakPolarHBondContact O-CB 3.25Å; F674-K689 PolarHBondContact O-N 3.33Å; F674-H898 AromaticContact CZ-CE1 3.76Å
675	L	87.6	Confident	88.6	Confident	54 Å²	54	50.4 Å²	50.4	28%	0.283	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	126.1	-172.1	-59.7	-175.8	0	0	0	112	F575 P654 I686 P688	F575-L675 HydrophobicContact CD2-CD1 4.25Å; F575-L675 HydrophobicContact CE1-CD1 4.31Å; F575-L675 HydrophobicContact CE2-CD1 3.71Å; F575-L675 HydrophobicContact CZ-CD1 3.75Å; F575-L675 HydrophobicContact CZ-CD2 4.12Å; F575-L675 HydrophobicContact CZ-CG 4.12Å; P654-L675 PolarHBondContact O-N 3.43Å; L675-I686 HydrophobicContact CD2-CG2 4.48Å; L675-P688 HydrophobicContact CD2-CB 3.86Å
676	S	85.8	Confident	88.3	Confident	43 Å²	43	50.4 Å²	50.4	30%	0.301	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	129.2	166.9	-174.8	0	0	0	0	110.1	S687	S676-S687 PolarHBondContact N-O 3.09Å; S676-S687 PolarHBondContact O-N 3Å
677	T	84.4	Confident	88	Confident	39 Å²	39	46.4 Å²	46.4	24%	0.239	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.4	177.6	78.2	0	0	0	0	111.5	D559 S685 I686	D559-T677 PolarHBondContact OD1-OG1 2.76Å; T677-S685 CarbonylContact C-O 3.6Å; T677-S685 WeakPolarHBondContact CA-O 3.26Å; T677-I686 HydrophobicContact CG2-CG1 4.47Å
678	K	80.2	Confident	87.7	Confident	120 Å²	120	47.7 Å²	47.7	52%	0.522	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	113.1	175.2	-69.3	-178.1	-178.2	174.3	0	110.1	S685	K678-S685 PolarHBondContact N-O 3.4Å; K678-S685 PolarHBondContact O-N 3.5Å
679	F	75.8	Confident	87.3	Confident	15 Å²	15	50.4 Å²	50.4	7%	0.066	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	122.2	175.3	-177.9	-134.4	0	0	0	111.5	W549 I552 A555 I556 L560 G681 L684 L714	W549-F679 HydrophobicContact CE3-CZ 4.5Å; W549-F679 AromaticContact CZ3-CZ 3.86Å; W549-F679 HydrophobicContact CZ3-CZ 3.86Å; I552-F679 HydrophobicContact CB-CZ 4.41Å; I552-F679 HydrophobicContact CD1-CE1 4.5Å; I552-F679 HydrophobicContact CD1-CE2 3.7Å; I552-F679 HydrophobicContact CD1-CZ 3.58Å; I552-F679 HydrophobicContact CG1-CZ 3.93Å; A555-F679 HydrophobicContact CB-CD1 4.03Å; A555-F679 HydrophobicContact CB-CE1 4.21Å; I556-F679 HydrophobicContact CB-CD1 4.43Å; I556-F679 HydrophobicContact CB-CE1 4.16Å; I556-F679 HydrophobicContact CG1-CD1 4.16Å; I556-F679 HydrophobicContact CG1-CE1 3.43Å; I556-F679 VanDerWaalsContact CG1-CE1 3.43Å; I556-F679 HydrophobicContact CG1-CZ 4.24Å; L560-F679 HydrophobicContact CD1-CB 3.85Å; L560-F679 HydrophobicContact CD1-CD2 4.39Å; L560-F679 HydrophobicContact CD1-CG 4.17Å; L560-F679 HydrophobicContact CG-CB 4.09Å; L560-F679 HydrophobicContact CG-CG 4.49Å; F679-G681 WeakPolarHBondContact CE2-O 3.15Å; F679-G681 WeakPolarHBondContact CZ-O 3.37Å; F679-L684 HydrophobicContact CB-CD1 4.42Å; F679-L714 HydrophobicContact CD2-CD1 3.99Å; F679-L714 HydrophobicContact CE2-CD1 3.63Å
680	R	73.2	Confident	86.9	Confident	146 Å²	146	51.7 Å²	51.7	55%	0.551	25%	0.253	S	S	*	.			trans	-118.1	42	-178.7	-67.2	-171.7	177.9	172.5	1.3	112	K682 Y683	R680-K682 PolarHBondContact O-N 3.06Å; R680-Y683 HydrophobicContact CB-CD1 4.42Å; R680-Y683 HydrophobicContact CB-CD2 4.13Å; R680-Y683 HydrophobicContact CB-CE1 3.95Å; R680-Y683 HydrophobicContact CB-CE2 3.66Å; R680-Y683 HydrophobicContact CB-CG 4.5Å; R680-Y683 VanDerWaalsContact CD-CE2 3.5Å; R680-Y683 WeakPolarHBondContact CD-OH 3.34Å; R680-Y683 HydrophobicContact CG-CE2 4.04Å; R680-Y683 PolarHBondContact N-O 3.23Å; R680-Y683 PolarHBondContact NH1-OH 3.43Å
681	G	73.5	Confident	86.7	Confident	14 Å²	14	51.8 Å²	51.8	14%	0.144	26%	0.259	C	S	.	.	S	Bend	trans	76.1	-78.1	177.2	0	0	0	0	0	112.7	F679	F679-G681 WeakPolarHBondContact CE2-O 3.15Å; F679-G681 WeakPolarHBondContact CZ-O 3.37Å
682	K	75	Confident	86.7	Confident	143 Å²	143	51.8 Å²	51.8	62%	0.622	26%	0.259	S	S	*	.	S	Bend	trans	-78.6	-22.7	-178.2	-74.1	-173.5	178.2	-174.6	0	114.1	R680 N713 L714 I715	R680-K682 PolarHBondContact O-N 3.06Å; K682-N713 PolarHBondContact O-N 3.14Å; K682-L714 PolarHBondContact O-N 3.35Å; K682-L714 VanDerWaalsContact O-N 3.1Å; K682-I715 HydrophobicContact CG-CD1 3.83Å; K682-I715 HydrophobicContact CG-CG1 4.33Å
683	Y	82.1	Confident	86.9	Confident	82 Å²	82	52.2 Å²	52.2	32%	0.322	26%	0.262	S	S	.	.			trans	-140	153	-174.7	59	-86.3	0	0	0	112	R680 V710 V711	R680-Y683 HydrophobicContact CB-CD1 4.42Å; R680-Y683 HydrophobicContact CB-CD2 4.13Å; R680-Y683 HydrophobicContact CB-CE1 3.95Å; R680-Y683 HydrophobicContact CB-CE2 3.66Å; R680-Y683 HydrophobicContact CB-CG 4.5Å; R680-Y683 VanDerWaalsContact CD-CE2 3.5Å; R680-Y683 WeakPolarHBondContact CD-OH 3.34Å; R680-Y683 HydrophobicContact CG-CE2 4.04Å; R680-Y683 PolarHBondContact N-O 3.23Å; R680-Y683 PolarHBondContact NH1-OH 3.43Å; Y683-V710 HydrophobicContact CD2-CG1 3.94Å; Y683-V710 HydrophobicContact CG-CG1 4.27Å; Y683-V711 CarbonylContact C-O 3.59Å; Y683-V711 WeakPolarHBondContact CA-O 3.27Å; Y683-V711 WeakPolarHBondContact CB-O 3.21Å
684	L	85.6	Confident	87.2	Confident	27 Å²	27	51.6 Å²	51.6	14%	0.141	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	121.5	175.1	169.2	57.5	0	0	0	108.9	L560 F679 I686 V710 V711 L714	L560-L684 HydrophobicContact CD1-CD1 3.38Å; L560-L684 HydrophobicContact CD1-CD2 3.62Å; L560-L684 HydrophobicContact CD1-CG 4Å; F679-L684 HydrophobicContact CB-CD1 4.42Å; L684-I686 HydrophobicContact CD2-CD1 4.39Å; L684-I686 HydrophobicContact CD2-CG1 4.41Å; L684-I686 HydrophobicContact CG-CG1 4.1Å; L684-V710 CarbonylContact O-C 3.56Å; L684-V710 WeakPolarHBondContact O-CA 3.33Å; L684-V711 HydrophobicContact CB-CB 4.28Å; L684-V711 PolarHBondContact N-O 2.62Å; L684-V711 PolarHBondContact O-N 2.76Å; L684-L714 HydrophobicContact CB-CD1 3.59Å
685	S	90.5	Very high	87.5	Confident	12 Å²	12	54 Å²	54	8%	0.084	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	130.5	174.7	-168.4	0	0	0	0	109.7	T677 K678 T708	T677-S685 CarbonylContact C-O 3.6Å; T677-S685 WeakPolarHBondContact CA-O 3.26Å; K678-S685 PolarHBondContact N-O 3.4Å; K678-S685 PolarHBondContact O-N 3.5Å; S685-T708 WeakPolarHBondContact OG-CG2 3.4Å
686	I	91.4	Very high	88	Confident	44 Å²	44	51.8 Å²	51.8	23%	0.226	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.7	178.6	-55.8	167.8	0	0	0	107.2	L675 T677 L684 T708 T709 V711	L675-I686 HydrophobicContact CD2-CG2 4.48Å; T677-I686 HydrophobicContact CG2-CG1 4.47Å; L684-I686 HydrophobicContact CD2-CD1 4.39Å; L684-I686 HydrophobicContact CD2-CG1 4.41Å; L684-I686 HydrophobicContact CG-CG1 4.1Å; I686-T708 WeakPolarHBondContact O-CA 3.48Å; I686-T708 WeakPolarHBondContact O-CG2 3.41Å; I686-T709 PolarHBondContact N-O 3.06Å; I686-T709 PolarHBondContact O-N 3.35Å; I686-V711 HydrophobicContact CD1-CG2 4.32Å
687	S	91.8	Very high	88.5	Confident	34 Å²	34	54.8 Å²	54.8	24%	0.238	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	104.6	-179.2	-60.7	0	0	0	0	108.9	S676 T708	S676-S687 PolarHBondContact N-O 3.09Å; S676-S687 PolarHBondContact O-N 3Å; S687-T708 PolarHBondContact OG-OG1 3.13Å
688	P	91.7	Very high	89.1	Confident	27 Å²	27	56.4 Å²	56.4	18%	0.175	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	135.8	170.7	29.1	-33.9	0	0	0	110.1	L675 K706 V707	L675-P688 HydrophobicContact CD2-CB 3.86Å; P688-K706 HydrophobicContact CB-CB 4.26Å; P688-K706 HydrophobicContact CG-CB 3.43Å; P688-K706 VanDerWaalsContact CG-CB 3.43Å; P688-K706 HydrophobicContact CG-CD 4.44Å; P688-V707 VanDerWaalsContact CD-O 3.3Å; P688-V707 WeakPolarHBondContact CD-O 3.33Å
689	K	90.8	Very high	89.9	Confident	139 Å²	139	52.5 Å²	52.5	60%	0.604	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.1	145.8	169	-60.6	-177.6	176.2	-173.7	0	109.2	F674	F674-K689 HydrophobicContact CB-CB 4.11Å; F674-K689 PolarHBondContact N-O 2.77Å; F674-K689 WeakPolarHBondContact O-CB 3.25Å; F674-K689 PolarHBondContact O-N 3.33Å
690	G	90.3	Very high	90.9	Very high	29 Å²	29	51.9 Å²	51.9	30%	0.299	27%	0.274	S	S	.	.	S	Bend	trans	132.4	151.5	-178.4	0	0	0	0	0	111.1
691	T	94.3	Very high	92.1	Very high	56 Å²	56	47.4 Å²	47.4	34%	0.344	26%	0.26	S	S	.	.			trans	-99.3	129	178.1	-57.7	0	0	0	0	109	N693 T703	T691-N693 PolarHBondContact O-ND2 2.85Å; T691-T703 HydrophobicContact CG2-CG2 4.01Å
692	I	97.5	Very high	93.3	Very high	7 Å²	7	46.8 Å²	46.8	4%	0.036	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	130.2	170.2	-51.6	-178	0	0	0	107.3	V669 Q671 T703 W704 K706	V669-I692 HydrophobicContact CG1-CG2 4.13Å; Q671-I692 HydrophobicContact CB-CB 4.39Å; Q671-I692 HydrophobicContact CB-CG1 4.1Å; Q671-I692 HydrophobicContact CB-CG2 4.33Å; Q671-I692 VanDerWaalsContact OE1-CD1 3.23Å; Q671-I692 VanDerWaalsContact OE1-CG1 3.23Å; I692-T703 VanDerWaalsContact O-CA 3.22Å; I692-T703 WeakPolarHBondContact O-CA 3.09Å; I692-W704 HydrophobicContact CB-CD2 4.03Å; I692-W704 HydrophobicContact CB-CE3 4.46Å; I692-W704 HydrophobicContact CB-CG 4.46Å; I692-W704 HydrophobicContact CB-CH2 4.42Å; I692-W704 HydrophobicContact CB-CZ2 4.01Å; I692-W704 HydrophobicContact CD1-CZ2 4.32Å; I692-W704 HydrophobicContact CG2-CD2 4.32Å; I692-W704 HydrophobicContact CG2-CH2 3.67Å; I692-W704 HydrophobicContact CG2-CZ2 3.43Å; I692-W704 VanDerWaalsContact CG2-CZ2 3.43Å; I692-W704 HydrophobicContact CG2-CZ3 4.22Å; I692-W704 PolarHBondContact N-O 2.9Å; I692-W704 PolarHBondContact O-N 3.47Å; I692-K706 HydrophobicContact CD1-CD 4.31Å; I692-K706 HydrophobicContact CD1-CG 3.79Å
693	N	97.8	Very high	94.4	Very high	23 Å²	23	41 Å²	41	12%	0.123	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.9	178.2	-67.8	-97.8	0	0	0	109.2	V669 W670 T691 H701 Y702 T703	V669-N693 CarbonylContact C-O 3.56Å; V669-N693 WeakPolarHBondContact CA-O 3.27Å; W670-N693 HydrophobicContact CD2-CB 3.51Å; W670-N693 HydrophobicContact CE3-CB 4.03Å; W670-N693 HydrophobicContact CG-CB 3.99Å; W670-N693 HydrophobicContact CH2-CB 3.91Å; W670-N693 HydrophobicContact CZ2-CB 3.37Å; W670-N693 HydrophobicContact CZ3-CB 4.21Å; W670-N693 PolarHBondContact N-O 2.73Å; W670-N693 VanDerWaalsContact NE1-CG 3.31Å; W670-N693 PolarHBondContact NE1-ND2 3.35Å; W670-N693 PolarHBondContact O-N 2.87Å; T691-N693 PolarHBondContact O-ND2 2.85Å; N693-H701 PolarHBondContact OD1-NE2 3.5Å; N693-Y702 WeakPolarHBondContact CA-O 3.37Å; N693-T703 WeakPolarHBondContact OD1-CG2 3.19Å
694	L	98.8	Very high	95.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	128.5	175.2	163.4	67.9	0	0	0	109.2	L589 V605 W667 K668 V669 F696 H701 Y702 W704	L589-L694 HydrophobicContact CD1-CD1 4.19Å; L589-L694 HydrophobicContact CD2-CD1 4.13Å; L589-L694 HydrophobicContact CD2-CD2 3.63Å; V605-L694 HydrophobicContact CB-CD2 4.41Å; V605-L694 HydrophobicContact CG1-CD2 3.91Å; V605-L694 HydrophobicContact CG2-CD2 3.64Å; W667-L694 HydrophobicContact CB-CD1 4.28Å; K668-L694 CarbonylContact O-C 3.47Å; K668-L694 WeakPolarHBondContact O-CA 3.32Å; V669-L694 HydrophobicContact CG2-CB 4.28Å; V669-L694 HydrophobicContact CG2-CD1 3.59Å; L694-F696 HydrophobicContact CD1-CE1 3.99Å; L694-F696 HydrophobicContact CD1-CE2 4.45Å; L694-F696 HydrophobicContact CD1-CZ 3.94Å; L694-F696 HydrophobicContact CD2-CE1 4.47Å; L694-F696 HydrophobicContact CD2-CE2 3.79Å; L694-F696 HydrophobicContact CD2-CZ 3.61Å; L694-F696 HydrophobicContact CG-CE1 4.45Å; L694-F696 HydrophobicContact CG-CE2 4.03Å; L694-F696 HydrophobicContact CG-CZ 3.94Å; L694-H701 CarbonylContact O-C 3.54Å; L694-H701 WeakPolarHBondContact O-CA 3.39Å; L694-Y702 HydrophobicContact CD2-CD2 4.37Å; L694-Y702 PolarHBondContact N-O 2.89Å; L694-Y702 PolarHBondContact O-N 2.7Å; L694-W704 HydrophobicContact CB-CH2 3.96Å; L694-W704 HydrophobicContact CB-CZ3 3.8Å; L694-W704 HydrophobicContact CD2-CH2 4.23Å; L694-W704 HydrophobicContact CD2-CZ3 4.26Å
695	Q	98.6	Very high	95.7	Very high	81 Å²	81	39.1 Å²	39.1	38%	0.379	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.8	179.2	-170.8	178.3	21.1	0	0	111	W667 K668 W670 S700	W667-Q695 CarbonylContact C-O 3.59Å; W667-Q695 VanDerWaalsContact CA-O 3.26Å; W667-Q695 WeakPolarHBondContact CA-O 3.48Å; K668-Q695 PolarHBondContact N-O 3.06Å; K668-Q695 PolarHBondContact O-N 2.99Å; W670-Q695 HydrophobicContact CH2-CB 4.08Å; W670-Q695 HydrophobicContact CZ3-CB 3.85Å; Q695-S700 WeakPolarHBondContact CA-O 3.27Å
696	F	98.7	Very high	96	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.026	23%	0.23	C	C	.	.			trans	-106.7	163.3	172.7	-64.1	-62.3	0	0	0	111.6	A592 Q601 V605 W667 L694 D698 G699 S700 Y702	A592-F696 HydrophobicContact CB-CE1 4.11Å; A592-F696 HydrophobicContact CB-CE2 4.18Å; A592-F696 HydrophobicContact CB-CZ 3.46Å; A592-F696 VanDerWaalsContact CB-CZ 3.46Å; Q601-F696 HydrophobicContact CG-CE2 4.18Å; V605-F696 HydrophobicContact CG2-CE2 4.06Å; V605-F696 HydrophobicContact CG2-CZ 4.19Å; W667-F696 HydrophobicContact CB-CD1 3.67Å; W667-F696 HydrophobicContact CB-CE1 3.78Å; W667-F696 HydrophobicContact CG-CE1 4.43Å; L694-F696 HydrophobicContact CD1-CE1 3.99Å; L694-F696 HydrophobicContact CD1-CE2 4.45Å; L694-F696 HydrophobicContact CD1-CZ 3.94Å; L694-F696 HydrophobicContact CD2-CE1 4.47Å; L694-F696 HydrophobicContact CD2-CE2 3.79Å; L694-F696 HydrophobicContact CD2-CZ 3.61Å; L694-F696 HydrophobicContact CG-CE1 4.45Å; L694-F696 HydrophobicContact CG-CE2 4.03Å; L694-F696 HydrophobicContact CG-CZ 3.94Å; F696-D698 VanDerWaalsContact C-N 3.29Å; F696-D698 VanDerWaalsContact CB-OD1 3.23Å; F696-D698 WeakPolarHBondContact CB-OD1 3.34Å; F696-D698 PolarHBondContact O-N 2.92Å; F696-G699 PolarHBondContact O-N 3.33Å; F696-G699 VanDerWaalsContact O-N 3.12Å; F696-S700 PolarHBondContact N-O 2.8Å; F696-Y702 HydrophobicContact CD2-CD2 4.07Å; F696-Y702 AromaticContact CD2-CE2 3.82Å; F696-Y702 HydrophobicContact CD2-CE2 3.82Å; F696-Y702 AromaticContact CE2-CD2 3.83Å; F696-Y702 HydrophobicContact CE2-CD2 3.83Å; F696-Y702 AromaticContact CE2-CE2 3.62Å; F696-Y702 HydrophobicContact CE2-CE2 3.62Å
697	T	97.5	Very high	96.2	Very high	106 Å²	106	38.3 Å²	38.3	65%	0.65	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-21.2	-179.7	47.7	0	0	0	0	114.2	K666 G699	K666-T697 HydrophobicContact CB-CG2 3.32Å; K666-T697 HydrophobicContact CG-CG2 4.26Å; T697-G699 PolarHBondContact O-N 3.3Å
698	D	95.9	Very high	96.4	Very high	73 Å²	73	38 Å²	38	39%	0.39	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-8.3	171.2	74.9	-22.5	0	0	0	111.9	F696 S700 K733	F696-D698 VanDerWaalsContact C-N 3.29Å; F696-D698 VanDerWaalsContact CB-OD1 3.23Å; F696-D698 WeakPolarHBondContact CB-OD1 3.34Å; F696-D698 PolarHBondContact O-N 2.92Å; D698-S700 WeakPolarHBondContact OD1-CB 3.48Å; D698-S700 PolarHBondContact OD1-N 2.89Å; D698-S700 PolarHBondContact OD1-OG 2.92Å; D698-S700 PolarHBondContact OD2-OG 2.94Å; D698-K733 PolarHBondContact O-NZ 2.84Å
699	G	96.6	Very high	96.6	Very high	39 Å²	39	37.8 Å²	37.8	40%	0.402	22%	0.216	S	C	.	.	S	Bend	trans	91.7	1.2	-176.9	0	0	0	0	0	114	F696 T697 H701 K733	F696-G699 PolarHBondContact O-N 3.33Å; F696-G699 VanDerWaalsContact O-N 3.12Å; T697-G699 PolarHBondContact O-N 3.3Å; G699-H701 PolarHBondContact O-N 3.01Å; G699-K733 WeakPolarHBondContact O-CD 3.42Å
700	S	98.1	Very high	96.7	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.007	19%	0.189	C	C	.	.			trans	-65.8	129.2	172.9	-66.7	0	0	0	0	110	Q601 Q695 F696 D698	Q601-S700 PolarHBondContact OE1-OG 2.89Å; Q695-S700 WeakPolarHBondContact CA-O 3.27Å; F696-S700 PolarHBondContact N-O 2.8Å; D698-S700 WeakPolarHBondContact OD1-CB 3.48Å; D698-S700 PolarHBondContact OD1-N 2.89Å; D698-S700 PolarHBondContact OD1-OG 2.92Å; D698-S700 PolarHBondContact OD2-OG 2.94Å
701	H	98.4	Very high	96.8	Very high	53 Å²	53	30.9 Å²	30.9	25%	0.245	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	116.9	178.3	173.9	-145.6	0	0	0	108.6	N693 L694 G699 N731 H732	N693-H701 PolarHBondContact OD1-NE2 3.5Å; L694-H701 CarbonylContact O-C 3.54Å; L694-H701 WeakPolarHBondContact O-CA 3.39Å; G699-H701 PolarHBondContact O-N 3.01Å; H701-N731 CarbonylContact O-C 3.53Å; H701-N731 WeakPolarHBondContact O-CA 3.45Å; H701-H732 AromaticContact CE1-CD2 3.94Å; H701-H732 AromaticContact ND1-CD2 3.63Å; H701-H732 PolarHBondContact O-CD2 3.32Å; H701-H732 PolarHBondContact O-N 3.38Å
702	Y	98.7	Very high	96.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	141.6	-179.9	-69.5	-100.4	0	0	0	111.1	Q601 M602 V605 N693 L694 F696 I729 E730 N731	Q601-Y702 HydrophobicContact CG-CE2 4.28Å; Q601-Y702 WeakPolarHBondContact CG-OH 3.45Å; Q601-Y702 PolarHBondContact OE1-OH 2.67Å; M602-Y702 HydrophobicContact CE-CD1 4.11Å; M602-Y702 HydrophobicContact CE-CE1 3.61Å; M602-Y702 HydrophobicContact SD-CD1 4.28Å; M602-Y702 HydrophobicContact SD-CE1 3.87Å; V605-Y702 HydrophobicContact CB-CD1 4.39Å; V605-Y702 HydrophobicContact CB-CE1 4.45Å; V605-Y702 HydrophobicContact CG1-CD1 4.01Å; V605-Y702 HydrophobicContact CG1-CG 4.23Å; V605-Y702 HydrophobicContact CG2-CD1 4.23Å; V605-Y702 HydrophobicContact CG2-CD2 4.31Å; V605-Y702 HydrophobicContact CG2-CE1 4.14Å; V605-Y702 HydrophobicContact CG2-CE2 4.27Å; V605-Y702 HydrophobicContact CG2-CG 4.31Å; N693-Y702 WeakPolarHBondContact CA-O 3.37Å; L694-Y702 HydrophobicContact CD2-CD2 4.37Å; L694-Y702 PolarHBondContact N-O 2.89Å; L694-Y702 PolarHBondContact O-N 2.7Å; F696-Y702 HydrophobicContact CD2-CD2 4.07Å; F696-Y702 AromaticContact CD2-CE2 3.82Å; F696-Y702 HydrophobicContact CD2-CE2 3.82Å; F696-Y702 AromaticContact CE2-CD2 3.83Å; F696-Y702 HydrophobicContact CE2-CD2 3.83Å; F696-Y702 AromaticContact CE2-CE2 3.62Å; F696-Y702 HydrophobicContact CE2-CE2 3.62Å; Y702-I729 HydrophobicContact CD1-CG2 4.08Å; Y702-E730 CarbonylContact C-O 3.59Å; Y702-E730 WeakPolarHBondContact CA-O 3.37Å; Y702-N731 HydrophobicContact CD1-CB 3.92Å; Y702-N731 HydrophobicContact CE1-CB 3.59Å; Y702-N731 HydrophobicContact CE2-CB 4.33Å; Y702-N731 HydrophobicContact CG-CB 4.44Å; Y702-N731 PolarHBondContact OH-ND2 3.24Å
703	T	98	Very high	95.6	Very high	21 Å²	21	31.8 Å²	31.8	13%	0.129	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	144.5	169	62.3	0	0	0	0	113.2	T691 I692 N693 E730 H732	T691-T703 HydrophobicContact CG2-CG2 4.01Å; I692-T703 VanDerWaalsContact O-CA 3.22Å; I692-T703 WeakPolarHBondContact O-CA 3.09Å; N693-T703 WeakPolarHBondContact OD1-CG2 3.19Å; T703-E730 PolarHBondContact N-O 3.22Å; T703-E730 PolarHBondContact O-N 3.47Å; T703-H732 VanDerWaalsContact CG2-NE2 3.3Å; T703-H732 WeakPolarHBondContact CG2-NE2 3.37Å; T703-H732 PolarHBondContact OG1-NE2 3.42Å
704	W	97.9	Very high	94.6	Very high	6 Å²	6	31.2 Å²	31.2	2%	0.023	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	174.1	171.1	67.4	101.9	0	0	0	111.6	V605 F608 S609 I692 L694 V727 T728 I729	V605-W704 HydrophobicContact CG1-CE3 4.39Å; V605-W704 HydrophobicContact CG1-CH2 4.18Å; V605-W704 HydrophobicContact CG1-CZ3 3.9Å; F608-W704 HydrophobicContact CD1-CH2 4.16Å; F608-W704 AromaticContact CD1-CZ2 3.92Å; F608-W704 HydrophobicContact CD1-CZ2 3.92Å; F608-W704 HydrophobicContact CE1-CH2 4.22Å; F608-W704 AromaticContact CE1-CZ2 3.93Å; F608-W704 HydrophobicContact CE1-CZ2 3.93Å; S609-W704 PolarHBondContact OG-NE1 2.92Å; S609-W704 VanDerWaalsContact OG-NE1 3.1Å; I692-W704 HydrophobicContact CB-CD2 4.03Å; I692-W704 HydrophobicContact CB-CE3 4.46Å; I692-W704 HydrophobicContact CB-CG 4.46Å; I692-W704 HydrophobicContact CB-CH2 4.42Å; I692-W704 HydrophobicContact CB-CZ2 4.01Å; I692-W704 HydrophobicContact CD1-CZ2 4.32Å; I692-W704 HydrophobicContact CG2-CD2 4.32Å; I692-W704 HydrophobicContact CG2-CH2 3.67Å; I692-W704 HydrophobicContact CG2-CZ2 3.43Å; I692-W704 VanDerWaalsContact CG2-CZ2 3.43Å; I692-W704 HydrophobicContact CG2-CZ3 4.22Å; I692-W704 PolarHBondContact N-O 2.9Å; I692-W704 PolarHBondContact O-N 3.47Å; L694-W704 HydrophobicContact CB-CH2 3.96Å; L694-W704 HydrophobicContact CB-CZ3 3.8Å; L694-W704 HydrophobicContact CD2-CH2 4.23Å; L694-W704 HydrophobicContact CD2-CZ3 4.26Å; W704-V727 HydrophobicContact CB-CG1 3.95Å; W704-V727 HydrophobicContact CG-CG1 4.43Å; W704-T728 WeakPolarHBondContact CB-O 3.33Å; W704-I729 HydrophobicContact CB-CB 4.23Å; W704-I729 HydrophobicContact CB-CG1 3.78Å; W704-I729 HydrophobicContact CB-CG2 4.38Å; W704-I729 HydrophobicContact CD2-CG2 4.45Å; W704-I729 HydrophobicContact CE3-CG2 4.04Å; W704-I729 HydrophobicContact CG-CD1 4.42Å; W704-I729 HydrophobicContact CG-CG1 4.09Å
705	T	96	Very high	93.2	Very high	64 Å²	64	34 Å²	34	39%	0.393	19%	0.192	S	C	.	.			trans	-121	161.4	175.4	60.1	0	0	0	0	111.1	V727	T705-V727 WeakPolarHBondContact O-CG1 3.37Å
706	K	96.6	Very high	92	Very high	34 Å²	34	35.7 Å²	35.7	15%	0.148	21%	0.208	C	C	.	.			trans	-83.8	155.3	174.4	-73.5	-170.9	177.2	-120.1	0	112.5	D582 Y613 Y673 P688 I692	D582-K706 IonicContact OD1-NZ 3.31Å; D582-K706 PolarHBondContact OD1-NZ 3.05Å; D582-K706 WeakPolarHBondContact OD2-CE 3.41Å; D582-K706 IonicContact OD2-NZ 3.95Å; D582-K706 PolarHBondContact OD2-NZ 3.48Å; Y613-K706 VanDerWaalsContact OH-CA 3.23Å; Y613-K706 WeakPolarHBondContact OH-CA 3.44Å; Y613-K706 WeakPolarHBondContact OH-CB 3.33Å; Y613-K706 WeakPolarHBondContact OH-CG 3.35Å; Y673-K706 HydrophobicContact CE1-CD 3.9Å; P688-K706 HydrophobicContact CB-CB 4.26Å; P688-K706 HydrophobicContact CG-CB 3.43Å; P688-K706 VanDerWaalsContact CG-CB 3.43Å; P688-K706 HydrophobicContact CG-CD 4.44Å; I692-K706 HydrophobicContact CD1-CD 4.31Å; I692-K706 HydrophobicContact CD1-CG 3.79Å
707	V	97.1	Very high	90.8	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.03	24%	0.235	C	C	.	.			trans	-84.4	174.5	176.4	-60	0	0	0	0	112	Y613 P688 N723 Y724 V727 F742	Y613-V707 HydrophobicContact CD1-CG2 4.46Å; Y613-V707 HydrophobicContact CE1-CG2 3.69Å; Y613-V707 HydrophobicContact CE2-CG2 4.44Å; Y613-V707 PolarHBondContact OH-N 2.98Å; P688-V707 VanDerWaalsContact CD-O 3.3Å; P688-V707 WeakPolarHBondContact CD-O 3.33Å; V707-N723 HydrophobicContact CG2-CB 4.06Å; V707-Y724 WeakPolarHBondContact CB-O 3.4Å; V707-V727 HydrophobicContact CG1-CG2 3.19Å; V707-F742 HydrophobicContact CG1-CB 4.37Å; V707-F742 HydrophobicContact CG1-CD2 3.62Å; V707-F742 HydrophobicContact CG1-CE2 3.98Å; V707-F742 HydrophobicContact CG1-CG 3.95Å; V707-F742 HydrophobicContact CG2-CD1 3.94Å; V707-F742 HydrophobicContact CG2-CD2 4.45Å; V707-F742 HydrophobicContact CG2-CE1 4.19Å; V707-F742 HydrophobicContact CG2-CG 4.08Å
708	T	96	Very high	90	Very high	27 Å²	27	38.9 Å²	38.9	17%	0.166	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	133.8	175.4	-66.8	0	0	0	0	110.8	S685 I686 S687 V710 N723 Y724	S685-T708 WeakPolarHBondContact OG-CG2 3.4Å; I686-T708 WeakPolarHBondContact O-CA 3.48Å; I686-T708 WeakPolarHBondContact O-CG2 3.41Å; S687-T708 PolarHBondContact OG-OG1 3.13Å; T708-V710 HydrophobicContact CG2-CG2 4.32Å; T708-N723 WeakPolarHBondContact O-CA 3.35Å; T708-Y724 HydrophobicContact CG2-CD1 4.43Å; T708-Y724 HydrophobicContact CG2-CE1 3.61Å; T708-Y724 PolarHBondContact N-O 2.81Å; T708-Y724 VanDerWaalsContact N-O 3.16Å; T708-Y724 PolarHBondContact O-N 3.14Å
709	T	95.7	Very high	89.5	Confident	23 Å²	23	37.9 Å²	37.9	14%	0.141	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	134.4	172.3	-57.8	0	0	0	0	109.6	I686 I721 D722 N723	I686-T709 PolarHBondContact N-O 3.06Å; I686-T709 PolarHBondContact O-N 3.35Å; T709-I721 HydrophobicContact CG2-CG2 3.41Å; T709-I721 VanDerWaalsContact CG2-CG2 3.41Å; T709-D722 CarbonylContact C-O 3.47Å; T709-D722 WeakPolarHBondContact CA-O 3.19Å; T709-N723 WeakPolarHBondContact CB-OD1 3.46Å; T709-N723 WeakPolarHBondContact CG2-OD1 3.4Å; T709-N723 PolarHBondContact OG1-OD1 2.81Å
710	V	93.2	Very high	89.2	Confident	6 Å²	6	38.7 Å²	38.7	4%	0.036	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127.5	178.9	-173.3	0	0	0	0	110.4	Y683 L684 T708 H712 I721 D722 Y724	Y683-V710 HydrophobicContact CD2-CG1 3.94Å; Y683-V710 HydrophobicContact CG-CG1 4.27Å; L684-V710 CarbonylContact O-C 3.56Å; L684-V710 WeakPolarHBondContact O-CA 3.33Å; T708-V710 HydrophobicContact CG2-CG2 4.32Å; V710-H712 WeakPolarHBondContact CG1-NE2 3.38Å; V710-I721 CarbonylContact O-C 3.55Å; V710-I721 VanDerWaalsContact O-CA 3.28Å; V710-I721 WeakPolarHBondContact O-CA 2.98Å; V710-D722 PolarHBondContact N-O 2.89Å; V710-D722 PolarHBondContact O-N 2.97Å; V710-Y724 HydrophobicContact CG2-CD1 3.74Å; V710-Y724 HydrophobicContact CG2-CE1 3.3Å
711	V	91.4	Very high	89	Confident	17 Å²	17	39.3 Å²	39.3	10%	0.103	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	114.7	169.7	-169.9	0	0	0	0	108.3	Y683 L684 I686 L714 I719 I721	Y683-V711 CarbonylContact C-O 3.59Å; Y683-V711 WeakPolarHBondContact CA-O 3.27Å; Y683-V711 WeakPolarHBondContact CB-O 3.21Å; L684-V711 HydrophobicContact CB-CB 4.28Å; L684-V711 PolarHBondContact N-O 2.62Å; L684-V711 PolarHBondContact O-N 2.76Å; I686-V711 HydrophobicContact CD1-CG2 4.32Å; V711-L714 HydrophobicContact CB-CD2 4.34Å; V711-L714 HydrophobicContact CG1-CD2 3.69Å; V711-I719 HydrophobicContact CG1-CG2 3.45Å; V711-I719 VanDerWaalsContact CG1-CG2 3.45Å; V711-I721 HydrophobicContact CG2-CG1 4.28Å
712	H	86.9	Confident	88.8	Confident	36 Å²	36	37 Å²	37	17%	0.167	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	165.4	-179	-70.9	-96.9	0	0	0	112.1	V710 L714 W720	V710-H712 WeakPolarHBondContact CG1-NE2 3.38Å; H712-L714 PolarHBondContact O-N 3.01Å; H712-W720 HydrophobicContact CB-CD2 3.84Å; H712-W720 HydrophobicContact CB-CG 4.13Å; H712-W720 HydrophobicContact CB-CH2 4.41Å; H712-W720 HydrophobicContact CB-CZ2 3.68Å; H712-W720 AromaticContact CD2-CE2 3.9Å; H712-W720 AromaticContact CD2-CE3 3.96Å; H712-W720 AromaticContact CD2-CH2 3.43Å; H712-W720 VanDerWaalsContact CD2-CH2 3.43Å; H712-W720 WeakPolarHBondContact CD2-CH2 3.21Å; H712-W720 AromaticContact CD2-CZ2 3.59Å; H712-W720 AromaticContact CD2-CZ3 3.67Å; H712-W720 AromaticContact CE1-CH2 3.78Å; H712-W720 AromaticContact CE1-CZ2 3.9Å; H712-W720 AromaticContact CG-CE2 3.54Å; H712-W720 AromaticContact CG-CH2 3.69Å; H712-W720 AromaticContact CG-CZ2 3.32Å; H712-W720 PolarHBondContact N-O 3.15Å; H712-W720 AromaticContact ND1-CH2 3.89Å; H712-W720 AromaticContact ND1-CZ2 3.53Å; H712-W720 AromaticContact NE2-CH2 3.54Å; H712-W720 AromaticContact NE2-CZ2 3.97Å; H712-W720 AromaticContact NE2-CZ3 4Å
713	N	80.2	Confident	88.8	Confident	47 Å²	47	37 Å²	37	25%	0.251	22%	0.217	S	C	.	.			trans	59.4	37	170.6	-65.7	-8.7	0	0	0	115.1	K682 I715 V716 T718 W720	K682-N713 PolarHBondContact O-N 3.14Å; N713-I715 PolarHBondContact O-N 3.09Å; N713-I715 VanDerWaalsContact O-N 3.13Å; N713-V716 VanDerWaalsContact CB-O 3.28Å; N713-V716 WeakPolarHBondContact CB-O 3.45Å; N713-T718 VanDerWaalsContact CB-O 3.24Å; N713-T718 WeakPolarHBondContact CB-O 3.08Å; N713-T718 PolarHBondContact ND2-O 3.01Å; N713-W720 PolarHBondContact ND2-NE1 2.89Å
714	L	76.9	Confident	88.6	Confident	11 Å²	11	40 Å²	40	6%	0.058	23%	0.227	C	C	.	.	S	Bend	trans	-66.8	-13.6	178.8	-62.3	174.6	0	0	0	114.4	L548 I552 F679 K682 L684 V711 H712	L548-L714 HydrophobicContact CD2-CD2 3.54Å; I552-L714 HydrophobicContact CD1-CB 3.81Å; I552-L714 HydrophobicContact CD1-CD1 4.02Å; I552-L714 HydrophobicContact CD1-CG 4.38Å; F679-L714 HydrophobicContact CD2-CD1 3.99Å; F679-L714 HydrophobicContact CE2-CD1 3.63Å; K682-L714 PolarHBondContact O-N 3.35Å; K682-L714 VanDerWaalsContact O-N 3.1Å; L684-L714 HydrophobicContact CB-CD1 3.59Å; V711-L714 HydrophobicContact CB-CD2 4.34Å; V711-L714 HydrophobicContact CG1-CD2 3.69Å; H712-L714 PolarHBondContact O-N 3.01Å
715	I	69.6	Low	88.5	Confident	58 Å²	58	40.9 Å²	40.9	30%	0.297	24%	0.237	S	C	.	.	S	Bend	trans	-109.5	-48.9	-178.9	-43.9	-171.7	0	0	0	111.5	W549 K682 N713	W549-I715 HydrophobicContact CD2-CB 4.26Å; W549-I715 HydrophobicContact CD2-CD1 4.28Å; W549-I715 HydrophobicContact CD2-CG1 3.92Å; W549-I715 HydrophobicContact CD2-CG2 3.83Å; W549-I715 HydrophobicContact CE3-CB 4.25Å; W549-I715 HydrophobicContact CE3-CD1 3.84Å; W549-I715 HydrophobicContact CE3-CG1 3.45Å; W549-I715 VanDerWaalsContact CE3-CG1 3.45Å; W549-I715 HydrophobicContact CE3-CG2 4.28Å; W549-I715 HydrophobicContact CG-CG2 3.97Å; W549-I715 HydrophobicContact CH2-CD1 3.37Å; W549-I715 HydrophobicContact CH2-CG1 4Å; W549-I715 HydrophobicContact CZ2-CD1 3.9Å; W549-I715 HydrophobicContact CZ2-CG1 4.46Å; W549-I715 HydrophobicContact CZ2-CG2 4.37Å; W549-I715 HydrophobicContact CZ3-CD1 3.33Å; W549-I715 HydrophobicContact CZ3-CG1 3.47Å; W549-I715 VanDerWaalsContact CZ3-CG1 3.47Å; K682-I715 HydrophobicContact CG-CD1 3.83Å; K682-I715 HydrophobicContact CG-CG1 4.33Å; N713-I715 PolarHBondContact O-N 3.09Å; N713-I715 VanDerWaalsContact O-N 3.13Å
716	V	71.8	Confident	88.6	Confident	116 Å²	116	43.5 Å²	43.5	70%	0.703	25%	0.249	S	C	*	.	S	Bend	trans	-143.6	135.2	-171.9	-178.3	0	0	0	0	109.1	N713	N713-V716 VanDerWaalsContact CB-O 3.28Å; N713-V716 WeakPolarHBondContact CB-O 3.45Å
717	G	74.6	Confident	88.6	Confident	58 Å²	58	41.9 Å²	41.9	60%	0.598	24%	0.242	S	C	*	.	S	Bend	trans	95.6	178.5	-179.9	0	0	0	0	0	113.2
718	T	80.6	Confident	88.7	Confident	121 Å²	121	44.3 Å²	44.3	74%	0.742	26%	0.257	S	S	*	.			trans	-72.2	129.1	175.5	-53.1	0	0	0	0	109.7	N713	N713-T718 VanDerWaalsContact CB-O 3.24Å; N713-T718 WeakPolarHBondContact CB-O 3.08Å; N713-T718 PolarHBondContact ND2-O 3.01Å
719	I	85.9	Confident	88.8	Confident	53 Å²	53	43 Å²	43	27%	0.272	25%	0.249	S	C	.	.			trans	-65	134.7	174.6	-62.9	174	0	0	0	109.1	L548 V620 V711	L548-I719 HydrophobicContact CD2-CD1 3.7Å; V620-I719 HydrophobicContact CB-CG2 3.98Å; V620-I719 HydrophobicContact CG1-CG2 4.01Å; V620-I719 HydrophobicContact CG2-CG2 4.47Å; V711-I719 HydrophobicContact CG1-CG2 3.45Å; V711-I719 VanDerWaalsContact CG1-CG2 3.45Å
720	W	89.5	Confident	88.9	Confident	55 Å²	55	46.1 Å²	46.1	21%	0.208	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	161.3	175.4	63.1	-86.6	0	0	0	110.6	H712 N713 D722 H745	H712-W720 HydrophobicContact CB-CD2 3.84Å; H712-W720 HydrophobicContact CB-CG 4.13Å; H712-W720 HydrophobicContact CB-CH2 4.41Å; H712-W720 HydrophobicContact CB-CZ2 3.68Å; H712-W720 AromaticContact CD2-CE2 3.9Å; H712-W720 AromaticContact CD2-CE3 3.96Å; H712-W720 AromaticContact CD2-CH2 3.43Å; H712-W720 VanDerWaalsContact CD2-CH2 3.43Å; H712-W720 WeakPolarHBondContact CD2-CH2 3.21Å; H712-W720 AromaticContact CD2-CZ2 3.59Å; H712-W720 AromaticContact CD2-CZ3 3.67Å; H712-W720 AromaticContact CE1-CH2 3.78Å; H712-W720 AromaticContact CE1-CZ2 3.9Å; H712-W720 AromaticContact CG-CE2 3.54Å; H712-W720 AromaticContact CG-CH2 3.69Å; H712-W720 AromaticContact CG-CZ2 3.32Å; H712-W720 PolarHBondContact N-O 3.15Å; H712-W720 AromaticContact ND1-CH2 3.89Å; H712-W720 AromaticContact ND1-CZ2 3.53Å; H712-W720 AromaticContact NE2-CH2 3.54Å; H712-W720 AromaticContact NE2-CZ2 3.97Å; H712-W720 AromaticContact NE2-CZ3 4Å; N713-W720 PolarHBondContact ND2-NE1 2.89Å; W720-D722 HydrophobicContact CE3-CB 4.42Å; W720-D722 HydrophobicContact CH2-CB 4.22Å; W720-D722 HydrophobicContact CZ3-CB 3.6Å; W720-H745 HydrophobicContact CH2-CB 3.65Å; W720-H745 AromaticContact CH2-CD2 3.5Å; W720-H745 VanDerWaalsContact CH2-CD2 3.5Å; W720-H745 WeakPolarHBondContact CH2-CD2 3.45Å; W720-H745 AromaticContact CH2-CG 3.54Å; W720-H745 AromaticContact CZ2-CD2 3.86Å; W720-H745 HydrophobicContact CZ3-CB 4.07Å
721	I	94.2	Very high	89.2	Confident	14 Å²	14	45.9 Å²	45.9	7%	0.072	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	138.1	-177.6	-70.1	169.7	0	0	0	111.3	R619 V620 T709 V710 V711	R619-I721 VanDerWaalsContact O-CD1 3.3Å; R619-I721 WeakPolarHBondContact O-CD1 3.34Å; V620-I721 HydrophobicContact CG1-CD1 4.23Å; V620-I721 HydrophobicContact CG1-CG1 4.26Å; T709-I721 HydrophobicContact CG2-CG2 3.41Å; T709-I721 VanDerWaalsContact CG2-CG2 3.41Å; V710-I721 CarbonylContact O-C 3.55Å; V710-I721 VanDerWaalsContact O-CA 3.28Å; V710-I721 WeakPolarHBondContact O-CA 2.98Å; V711-I721 HydrophobicContact CG2-CG1 4.28Å
722	D	94.9	Very high	89.5	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.021	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	152.3	164.6	-157.7	18.3	0	0	0	111.5	T709 V710 W720 H745	T709-D722 CarbonylContact C-O 3.47Å; T709-D722 WeakPolarHBondContact CA-O 3.19Å; V710-D722 PolarHBondContact N-O 2.89Å; V710-D722 PolarHBondContact O-N 2.97Å; W720-D722 HydrophobicContact CE3-CB 4.42Å; W720-D722 HydrophobicContact CH2-CB 4.22Å; W720-D722 HydrophobicContact CZ3-CB 3.6Å; D722-H745 WeakPolarHBondContact OD2-CB 3.39Å; D722-H745 PolarHBondContact OD2-N 2.73Å
723	N	97	Very high	89.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.8	171.9	-63.1	-73.2	0	0	0	108.3	Y613 T616 V707 T708 T709 F742 W775	Y613-N723 HydrophobicContact CD1-CB 4.2Å; Y613-N723 WeakPolarHBondContact CD1-OD1 3.36Å; T616-N723 PolarHBondContact OG1-ND2 2.91Å; V707-N723 HydrophobicContact CG2-CB 4.06Å; T708-N723 WeakPolarHBondContact O-CA 3.35Å; T709-N723 WeakPolarHBondContact CB-OD1 3.46Å; T709-N723 WeakPolarHBondContact CG2-OD1 3.4Å; T709-N723 PolarHBondContact OG1-OD1 2.81Å; N723-F742 HydrophobicContact CB-CD1 4.21Å; N723-W775 HydrophobicContact CB-CZ2 4.46Å
724	Y	95.1	Very high	90.7	Very high	86 Å²	86	53.5 Å²	53.5	34%	0.337	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	151.8	-175.6	82.7	-80.2	0	0	0	113.2	V707 T708 V710 F742 A744	V707-Y724 WeakPolarHBondContact CB-O 3.4Å; T708-Y724 HydrophobicContact CG2-CD1 4.43Å; T708-Y724 HydrophobicContact CG2-CE1 3.61Å; T708-Y724 PolarHBondContact N-O 2.81Å; T708-Y724 VanDerWaalsContact N-O 3.16Å; T708-Y724 PolarHBondContact O-N 3.14Å; V710-Y724 HydrophobicContact CG2-CD1 3.74Å; V710-Y724 HydrophobicContact CG2-CE1 3.3Å; Y724-F742 WeakPolarHBondContact CA-O 3.48Å; Y724-A744 HydrophobicContact CD2-CB 4.23Å; Y724-A744 HydrophobicContact CG-CB 3.96Å
725	G	95.5	Very high	91.7	Very high	23 Å²	23	55 Å²	55	24%	0.237	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	133.4	175.3	179.4	0	0	0	0	0	112.1	F742	G725-F742 PolarHBondContact N-O 3.3Å; G725-F742 VanDerWaalsContact N-O 3.11Å; G725-F742 WeakPolarHBondContact O-CB 3.11Å; G725-F742 PolarHBondContact O-N 2.85Å
726	D	97.1	Very high	93.1	Very high	119 Å²	119	54.5 Å²	54.5	64%	0.636	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	138.7	179.4	-56.3	-46.1	0	0	0	109.8	L740 Q741	D726-L740 CarbonylContact C-O 3.57Å; D726-L740 WeakPolarHBondContact CA-O 3.35Å; D726-Q741 WeakPolarHBondContact OD1-CG 3.5Å
727	V	97.6	Very high	94.4	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	133.8	173.9	-178.5	0	0	0	0	108.1	W704 T705 V707 I729 N739 L740 F742	W704-V727 HydrophobicContact CB-CG1 3.95Å; W704-V727 HydrophobicContact CG-CG1 4.43Å; T705-V727 WeakPolarHBondContact O-CG1 3.37Å; V707-V727 HydrophobicContact CG1-CG2 3.19Å; V727-I729 HydrophobicContact CG1-CG1 3.92Å; V727-N739 CarbonylContact O-C 3.58Å; V727-N739 WeakPolarHBondContact O-CA 3.49Å; V727-L740 HydrophobicContact CB-CB 4.28Å; V727-L740 PolarHBondContact N-O 3.34Å; V727-L740 PolarHBondContact O-N 2.99Å; V727-F742 HydrophobicContact CG2-CD2 4.22Å; V727-F742 HydrophobicContact CG2-CE2 3.89Å
728	T	98.3	Very high	95.5	Very high	57 Å²	57	47.3 Å²	47.3	35%	0.35	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	119.8	167	-55.5	0	0	0	0	108	W704 E730 C738	W704-T728 WeakPolarHBondContact CB-O 3.33Å; T728-E730 HydrophobicContact CG2-CG 3.68Å; T728-C738 WeakPolarHBondContact CA-O 3.19Å
729	I	98.7	Very high	96.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	122.9	173.1	-49.7	-170	0	0	0	107.5	M602 V605 V606 Y702 W704 V727 S737 C738 L740	M602-I729 HydrophobicContact SD-CB 4.13Å; M602-I729 HydrophobicContact SD-CG2 3.85Å; V605-I729 HydrophobicContact CG1-CG2 3.89Å; V606-I729 HydrophobicContact CB-CD1 4.34Å; V606-I729 HydrophobicContact CG2-CD1 3.77Å; Y702-I729 HydrophobicContact CD1-CG2 4.08Å; W704-I729 HydrophobicContact CB-CB 4.23Å; W704-I729 HydrophobicContact CB-CG1 3.78Å; W704-I729 HydrophobicContact CB-CG2 4.38Å; W704-I729 HydrophobicContact CD2-CG2 4.45Å; W704-I729 HydrophobicContact CE3-CG2 4.04Å; W704-I729 HydrophobicContact CG-CD1 4.42Å; W704-I729 HydrophobicContact CG-CG1 4.09Å; V727-I729 HydrophobicContact CG1-CG1 3.92Å; I729-S737 CarbonylContact O-C 3.59Å; I729-S737 WeakPolarHBondContact O-CA 3.42Å; I729-C738 HydrophobicContact CB-CB 4.45Å; I729-C738 PolarHBondContact N-O 3.31Å; I729-C738 PolarHBondContact O-N 3.37Å; I729-L740 HydrophobicContact CD1-CD1 3.9Å; I729-L740 HydrophobicContact CG1-CD1 4.38Å
730	E	98.3	Very high	96.9	Very high	87 Å²	87	42.1 Å²	42.1	41%	0.407	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	135.7	-174.5	-57.5	-173.1	152.2	0	0	110.6	Y702 T703 T728 H732	Y702-E730 CarbonylContact C-O 3.59Å; Y702-E730 WeakPolarHBondContact CA-O 3.37Å; T703-E730 PolarHBondContact N-O 3.22Å; T703-E730 PolarHBondContact O-N 3.47Å; T728-E730 HydrophobicContact CG2-CG 3.68Å; E730-H732 IonicContact OE2-CE1 3.25Å
731	N	98.5	Very high	97.3	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.011	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	108.6	167.4	-177.4	-25.4	0	0	0	109.4	M602 H701 Y702 K733 T734 G735 Y736	M602-N731 HydrophobicContact CE-CB 4.38Å; H701-N731 CarbonylContact O-C 3.53Å; H701-N731 WeakPolarHBondContact O-CA 3.45Å; Y702-N731 HydrophobicContact CD1-CB 3.92Å; Y702-N731 HydrophobicContact CE1-CB 3.59Å; Y702-N731 HydrophobicContact CE2-CB 4.33Å; Y702-N731 HydrophobicContact CG-CB 4.44Å; Y702-N731 PolarHBondContact OH-ND2 3.24Å; N731-K733 VanDerWaalsContact C-N 3.26Å; N731-K733 PolarHBondContact O-N 3.38Å; N731-K733 WeakPolarHBondContact OD1-CB 3.39Å; N731-K733 PolarHBondContact OD1-N 3.21Å; N731-T734 WeakPolarHBondContact CB-OG1 3.46Å; N731-T734 PolarHBondContact ND2-OG1 3.23Å; N731-T734 PolarHBondContact O-N 3.41Å; N731-T734 PolarHBondContact OD1-N 3.31Å; N731-G735 WeakPolarHBondContact O-CA 3.39Å; N731-G735 PolarHBondContact O-N 3.33Å; N731-Y736 PolarHBondContact N-O 2.82Å
732	H	97.3	Very high	97.5	Very high	101 Å²	101	43.6 Å²	43.6	47%	0.468	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-22.5	-176.4	-65.3	-64.2	0	0	0	114.3	H701 T703 E730	H701-H732 AromaticContact CE1-CD2 3.94Å; H701-H732 AromaticContact ND1-CD2 3.63Å; H701-H732 PolarHBondContact O-CD2 3.32Å; H701-H732 PolarHBondContact O-N 3.38Å; T703-H732 VanDerWaalsContact CG2-NE2 3.3Å; T703-H732 WeakPolarHBondContact CG2-NE2 3.37Å; T703-H732 PolarHBondContact OG1-NE2 3.42Å; E730-H732 IonicContact OE2-CE1 3.25Å
733	K	97.1	Very high	97.3	Very high	114 Å²	114	45.2 Å²	45.2	50%	0.496	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-45.1	178.2	177.3	-176	166.8	-162.6	0	111.7	D698 G699 N731	D698-K733 PolarHBondContact O-NZ 2.84Å; G699-K733 WeakPolarHBondContact O-CD 3.42Å; N731-K733 VanDerWaalsContact C-N 3.26Å; N731-K733 PolarHBondContact O-N 3.38Å; N731-K733 WeakPolarHBondContact OD1-CB 3.39Å; N731-K733 PolarHBondContact OD1-N 3.21Å
734	T	96.8	Very high	97	Very high	44 Å²	44	47.3 Å²	47.3	27%	0.27	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-16.5	-171	64	0	0	0	0	113.5	N731 Y736 S763	N731-T734 WeakPolarHBondContact CB-OG1 3.46Å; N731-T734 PolarHBondContact ND2-OG1 3.23Å; N731-T734 PolarHBondContact O-N 3.41Å; N731-T734 PolarHBondContact OD1-N 3.31Å; T734-Y736 PolarHBondContact O-N 3.12Å; T734-Y736 WeakPolarHBondContact OG1-CD2 3.1Å; T734-Y736 PolarHBondContact OG1-N 3.02Å; T734-S763 WeakPolarHBondContact O-CB 3.4Å
735	G	97.5	Very high	96.4	Very high	44 Å²	44	46.6 Å²	46.6	45%	0.454	26%	0.255	S	S	.	.			trans	74.5	6.1	-173.9	0	0	0	0	0	114.3	N731	N731-G735 WeakPolarHBondContact O-CA 3.39Å; N731-G735 PolarHBondContact O-N 3.33Å
736	Y	98.5	Very high	95.5	Very high	47 Å²	47	47.7 Å²	47.7	18%	0.184	26%	0.26	C	S	.	.			trans	-69.6	144	172.6	-81.6	-113.5	0	0	0	110	P598 V599 M602 N731 T734 V760 K761 N762 V768	P598-Y736 HydrophobicContact CB-CD1 4.27Å; P598-Y736 HydrophobicContact CB-CD2 4.22Å; P598-Y736 HydrophobicContact CB-CE1 4.11Å; P598-Y736 HydrophobicContact CB-CE2 4.05Å; P598-Y736 HydrophobicContact CB-CG 4.32Å; P598-Y736 HydrophobicContact CG-CE1 4.05Å; P598-Y736 HydrophobicContact CG-CE2 4.05Å; V599-Y736 HydrophobicContact CG2-CD1 4.3Å; V599-Y736 HydrophobicContact CG2-CE1 3.67Å; M602-Y736 WeakPolarHBondContact CE-O 3.34Å; N731-Y736 PolarHBondContact N-O 2.82Å; T734-Y736 PolarHBondContact O-N 3.12Å; T734-Y736 WeakPolarHBondContact OG1-CD2 3.1Å; T734-Y736 PolarHBondContact OG1-N 3.02Å; Y736-V760 HydrophobicContact CD1-CG1 4.35Å; Y736-K761 WeakPolarHBondContact CA-O 3.46Å; Y736-K761 WeakPolarHBondContact CD1-O 3.23Å; Y736-N762 HydrophobicContact CD1-CB 4.34Å; Y736-N762 HydrophobicContact CE1-CB 3.75Å; Y736-N762 HydrophobicContact CE2-CB 4.3Å; Y736-V768 HydrophobicContact CE1-CG2 4.45Å
737	S	98.7	Very high	94.2	Very high	22 Å²	22	50.2 Å²	50.2	15%	0.154	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	157.8	177.2	58.4	0	0	0	0	112.2	I729 V760 K761	I729-S737 CarbonylContact O-C 3.59Å; I729-S737 WeakPolarHBondContact O-CA 3.42Å; S737-V760 CarbonylContact O-C 3.57Å; S737-V760 WeakPolarHBondContact O-CA 3.4Å; S737-K761 PolarHBondContact N-O 3.04Å; S737-K761 PolarHBondContact O-N 3.3Å
738	C	98.8	Very high	92.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	121.3	169.4	-170.7	0	0	0	0	110	M602 V606 T728 I729 F759 V760	M602-C738 HydrophobicContact CG-CB 3.98Å; M602-C738 HydrophobicContact SD-CB 3.84Å; V606-C738 HydrophobicContact CG2-CB 3.69Å; T728-C738 WeakPolarHBondContact CA-O 3.19Å; I729-C738 HydrophobicContact CB-CB 4.45Å; I729-C738 PolarHBondContact N-O 3.31Å; I729-C738 PolarHBondContact O-N 3.37Å; C738-F759 WeakPolarHBondContact CA-O 3.3Å; C738-F759 PolarHBondContact SG-O 3.47Å; C738-V760 HydrophobicContact CB-CG2 4.35Å
739	N	98	Very high	91.2	Very high	64 Å²	64	58.3 Å²	58.3	34%	0.342	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	108.6	172.6	-62	10.7	0	0	0	107.5	V727 G758 F759 K761	V727-N739 CarbonylContact O-C 3.58Å; V727-N739 WeakPolarHBondContact O-CA 3.49Å; N739-G758 WeakPolarHBondContact O-CA 3.41Å; N739-F759 PolarHBondContact N-O 2.82Å; N739-F759 PolarHBondContact O-N 3.21Å; N739-K761 PolarHBondContact ND2-NZ 3.08Å
740	L	97.9	Very high	89.7	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.01	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	140.4	177.6	-63.1	169.8	0	0	0	110.1	V606 V610 D726 V727 I729 I756 I771	V606-L740 HydrophobicContact CB-CD1 4.43Å; V606-L740 HydrophobicContact CG1-CD1 3.84Å; V606-L740 HydrophobicContact CG1-CD2 3.82Å; V606-L740 HydrophobicContact CG1-CG 4.39Å; V606-L740 HydrophobicContact CG2-CD1 4.19Å; V610-L740 HydrophobicContact CG2-CD1 4.39Å; D726-L740 CarbonylContact C-O 3.57Å; D726-L740 WeakPolarHBondContact CA-O 3.35Å; V727-L740 HydrophobicContact CB-CB 4.28Å; V727-L740 PolarHBondContact N-O 3.34Å; V727-L740 PolarHBondContact O-N 2.99Å; I729-L740 HydrophobicContact CD1-CD1 3.9Å; I729-L740 HydrophobicContact CG1-CD1 4.38Å; L740-I756 HydrophobicContact CD2-CG2 4.26Å; L740-I771 HydrophobicContact CD2-CB 4.05Å; L740-I771 HydrophobicContact CD2-CG1 4.28Å; L740-I771 HydrophobicContact CD2-CG2 3.85Å
741	Q	97.4	Very high	88.4	Confident	96 Å²	96	67.4 Å²	67.4	45%	0.449	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	116.8	173.8	-177.6	170.9	23.1	0	0	109.2	D726 I743 I756 T757	D726-Q741 WeakPolarHBondContact OD1-CG 3.5Å; Q741-I743 HydrophobicContact CG-CG1 4.1Å; Q741-I743 PolarHBondContact O-N 2.94Å; Q741-I756 WeakPolarHBondContact O-CA 3.37Å; Q741-T757 HydrophobicContact CB-CG2 4.41Å; Q741-T757 PolarHBondContact N-O 2.74Å; Q741-T757 PolarHBondContact O-N 3.13Å; Q741-T757 VanDerWaalsContact O-N 3.14Å
742	F	97.6	Very high	87.4	Confident	3 Å²	3	72.7 Å²	72.7	1%	0.013	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	105.6	167.6	-71.7	-117.5	0	0	0	107.3	V610 Y613 V707 N723 Y724 G725 V727 A744 I756 W775	V610-F742 HydrophobicContact CG2-CZ 4.06Å; Y613-F742 AromaticContact CD2-CE1 3.64Å; Y613-F742 HydrophobicContact CD2-CE1 3.64Å; Y613-F742 AromaticContact CD2-CZ 3.9Å; Y613-F742 HydrophobicContact CD2-CZ 3.9Å; Y613-F742 AromaticContact CE2-CE1 3.8Å; Y613-F742 HydrophobicContact CE2-CE1 3.8Å; Y613-F742 AromaticContact CE2-CZ 3.7Å; Y613-F742 HydrophobicContact CE2-CZ 3.7Å; Y613-F742 HydrophobicContact CG-CE1 4.2Å; V707-F742 HydrophobicContact CG1-CB 4.37Å; V707-F742 HydrophobicContact CG1-CD2 3.62Å; V707-F742 HydrophobicContact CG1-CE2 3.98Å; V707-F742 HydrophobicContact CG1-CG 3.95Å; V707-F742 HydrophobicContact CG2-CD1 3.94Å; V707-F742 HydrophobicContact CG2-CD2 4.45Å; V707-F742 HydrophobicContact CG2-CE1 4.19Å; V707-F742 HydrophobicContact CG2-CG 4.08Å; N723-F742 HydrophobicContact CB-CD1 4.21Å; Y724-F742 WeakPolarHBondContact CA-O 3.48Å; G725-F742 PolarHBondContact N-O 3.3Å; G725-F742 VanDerWaalsContact N-O 3.11Å; G725-F742 WeakPolarHBondContact O-CB 3.11Å; G725-F742 PolarHBondContact O-N 2.85Å; V727-F742 HydrophobicContact CG2-CD2 4.22Å; V727-F742 HydrophobicContact CG2-CE2 3.89Å; F742-A744 PolarHBondContact O-N 2.89Å; F742-I756 HydrophobicContact CD1-CD1 3.85Å; F742-I756 HydrophobicContact CD1-CG1 3.92Å; F742-I756 HydrophobicContact CD2-CG1 4.41Å; F742-I756 HydrophobicContact CE1-CD1 3.54Å; F742-I756 HydrophobicContact CE1-CG1 4.13Å; F742-I756 HydrophobicContact CE2-CD1 4.31Å; F742-I756 HydrophobicContact CG-CD1 4.37Å; F742-I756 HydrophobicContact CG-CG1 4.07Å; F742-I756 HydrophobicContact CZ-CD1 3.78Å; F742-I756 HydrophobicContact CZ-CG1 4.43Å; F742-W775 HydrophobicContact CE1-CB 4.32Å
743	I	92.4	Very high	87	Confident	39 Å²	39	70.5 Å²	70.5	20%	0.2	36%	0.359	C	S	.	.			trans	-78.3	115.6	-172.8	-58.9	177.8	0	0	0	108.7	Q741 R755 T757	Q741-I743 HydrophobicContact CG-CG1 4.1Å; Q741-I743 PolarHBondContact O-N 2.94Å; I743-R755 HydrophobicContact CB-CB 4.44Å; I743-R755 WeakPolarHBondContact CB-O 3.27Å; I743-R755 HydrophobicContact CD1-CB 4.26Å; I743-R755 HydrophobicContact CD1-CG 3.98Å; I743-R755 PolarHBondContact N-O 2.65Å; I743-T757 HydrophobicContact CD1-CG2 4.15Å
744	A	89.3	Confident	86.8	Confident	43 Å²	43	68.2 Å²	68.2	36%	0.355	35%	0.348	S	S	.	.			trans	-56.1	142.7	176.2	0	0	0	0	0	111.4	Y724 F742 S746	Y724-A744 HydrophobicContact CD2-CB 4.23Å; Y724-A744 HydrophobicContact CG-CB 3.96Å; F742-A744 PolarHBondContact O-N 2.89Å; A744-S746 PolarHBondContact O-N 2.88Å
745	H	83.8	Confident	86.8	Confident	71 Å²	71	71.1 Å²	71.1	33%	0.329	35%	0.353	S	S	.	.			trans	-55.5	131.6	167.8	179.6	76.4	0	0	0	110.3	W720 D722 Y747	W720-H745 HydrophobicContact CH2-CB 3.65Å; W720-H745 AromaticContact CH2-CD2 3.5Å; W720-H745 VanDerWaalsContact CH2-CD2 3.5Å; W720-H745 WeakPolarHBondContact CH2-CD2 3.45Å; W720-H745 AromaticContact CH2-CG 3.54Å; W720-H745 AromaticContact CZ2-CD2 3.86Å; W720-H745 HydrophobicContact CZ3-CB 4.07Å; D722-H745 WeakPolarHBondContact OD2-CB 3.39Å; D722-H745 PolarHBondContact OD2-N 2.73Å; H745-Y747 AromaticContact NE2-CE1 3.94Å
746	S	76.4	Confident	86.8	Confident	47 Å²	47	69 Å²	69	33%	0.329	33%	0.332	S	S	.	.			trans	-138.5	122.7	179.1	172.4	0	0	0	0	109.5	A744 F748 N749	A744-S746 PolarHBondContact O-N 2.88Å; S746-F748 PolarHBondContact O-N 3.26Å; S746-F748 VanDerWaalsContact O-N 3.11Å; S746-F748 PolarHBondContact OG-N 2.73Å; S746-N749 PolarHBondContact O-N 2.67Å; S746-N749 PolarHBondContact OG-N 2.79Å
747	Y	70.3	Confident	86.7	Confident	171 Å²	171	68 Å²	68	67%	0.671	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-21.3	173.7	-65.4	-77.6	0	0	0	113.3	H745	H745-Y747 AromaticContact NE2-CE1 3.94Å
748	F	68.7	Low	86.7	Confident	145 Å²	145	67.2 Å²	67.2	64%	0.636	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-14.8	178.4	-56.4	-71	0	0	0	112.8	S746	S746-F748 PolarHBondContact O-N 3.26Å; S746-F748 VanDerWaalsContact O-N 3.11Å; S746-F748 PolarHBondContact OG-N 2.73Å
749	N	62.6	Low	86.6	Confident	83 Å²	83	71.5 Å²	71.5	44%	0.444	34%	0.344	S	S	.	.			trans	-91.3	113.2	178.2	-168.5	-2.7	0	0	0	109.2	S746 G751	S746-N749 PolarHBondContact O-N 2.67Å; S746-N749 PolarHBondContact OG-N 2.79Å; N749-G751 PolarHBondContact O-N 3.47Å; N749-G751 WeakPolarHBondContact OD1-CA 3.31Å; N749-G751 PolarHBondContact OD1-N 3.02Å
750	R	68.8	Low	86.6	Confident	240 Å²	240	68.4 Å²	68.4	91%	0.906	33%	0.328	S	S	*	.			trans	-75.7	-1.8	172.8	-63.3	-174.9	179.1	-163.9	-3.5	113.2
751	G	69.5	Low	86.7	Confident	38 Å²	38	70.9 Å²	70.9	39%	0.392	34%	0.339	S	S	.	.	S	Bend	trans	-67.7	168	177.4	0	0	0	0	0	112.9	N749 S753	N749-G751 PolarHBondContact O-N 3.47Å; N749-G751 WeakPolarHBondContact OD1-CA 3.31Å; N749-G751 PolarHBondContact OD1-N 3.02Å; G751-S753 PolarHBondContact O-N 2.76Å
752	Q	79.1	Confident	86.7	Confident	112 Å²	112	67.6 Å²	67.6	52%	0.523	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-55.2	130.3	174.2	-166.5	172	18.5	0	0	110.4	T774	Q752-T774 VanDerWaalsContact CD-CG2 3.48Å; Q752-T774 HydrophobicContact CG-CG2 3.88Å
753	S	87.5	Confident	86.6	Confident	56 Å²	56	71.3 Å²	71.3	39%	0.392	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	161	173.9	58.6	0	0	0	0	110.6	G751 R755	G751-S753 PolarHBondContact O-N 2.76Å; S753-R755 PolarHBondContact O-N 2.83Å; S753-R755 VanDerWaalsContact O-N 3.09Å
754	R	94	Very high	86.8	Confident	66 Å²	66	74.9 Å²	74.9	25%	0.249	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	21.3	174.3	-54.1	-170.7	-117.4	-97.5	1.5	114.8	T774 W775 D776	R754-T774 WeakPolarHBondContact O-CA 3.47Å; R754-T774 WeakPolarHBondContact O-CB 3.19Å; R754-W775 HydrophobicContact CB-CD2 4.03Å; R754-W775 VanDerWaalsContact CB-CE2 3.49Å; R754-W775 HydrophobicContact CB-CG 4.29Å; R754-W775 HydrophobicContact CB-CZ2 3.91Å; R754-W775 HydrophobicContact CG-CD2 4.38Å; R754-W775 HydrophobicContact CG-CH2 4.07Å; R754-W775 HydrophobicContact CG-CZ2 3.4Å; R754-W775 VanDerWaalsContact CG-CZ2 3.4Å; R754-W775 PolarHBondContact O-N 2.78Å; R754-W775 VanDerWaalsContact O-N 3.16Å; R754-D776 VanDerWaalsContact CD-CG 3.47Å; R754-D776 WeakPolarHBondContact CD-OD2 3.01Å; R754-D776 IonicContact CZ-OD2 2.87Å; R754-D776 IonicContact NE-OD2 2.96Å; R754-D776 PolarHBondContact NE-OD2 3.32Å; R754-D776 IonicContact NH2-OD2 3.97Å
755	R	95.4	Very high	87.1	Confident	104 Å²	104	74.9 Å²	74.9	39%	0.392	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	140	-174.1	-178	175.8	164.9	-169	-2.3	111.8	I743 S753 G773	I743-R755 HydrophobicContact CB-CB 4.44Å; I743-R755 WeakPolarHBondContact CB-O 3.27Å; I743-R755 HydrophobicContact CD1-CB 4.26Å; I743-R755 HydrophobicContact CD1-CG 3.98Å; I743-R755 PolarHBondContact N-O 2.65Å; S753-R755 PolarHBondContact O-N 2.83Å; S753-R755 VanDerWaalsContact O-N 3.09Å; R755-G773 WeakPolarHBondContact CA-O 3.27Å
756	I	97.3	Very high	87.7	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	142	168.1	-67	168.7	0	0	0	108.8	V610 L740 Q741 F742 Q772 G773 W775 L779	V610-I756 HydrophobicContact CB-CD1 4.21Å; V610-I756 HydrophobicContact CG1-CD1 3.37Å; V610-I756 HydrophobicContact CG2-CD1 3.78Å; L740-I756 HydrophobicContact CD2-CG2 4.26Å; Q741-I756 WeakPolarHBondContact O-CA 3.37Å; F742-I756 HydrophobicContact CD1-CD1 3.85Å; F742-I756 HydrophobicContact CD1-CG1 3.92Å; F742-I756 HydrophobicContact CD2-CG1 4.41Å; F742-I756 HydrophobicContact CE1-CD1 3.54Å; F742-I756 HydrophobicContact CE1-CG1 4.13Å; F742-I756 HydrophobicContact CE2-CD1 4.31Å; F742-I756 HydrophobicContact CG-CD1 4.37Å; F742-I756 HydrophobicContact CG-CG1 4.07Å; F742-I756 HydrophobicContact CZ-CD1 3.78Å; F742-I756 HydrophobicContact CZ-CG1 4.43Å; I756-Q772 WeakPolarHBondContact O-CA 3.27Å; I756-G773 PolarHBondContact N-O 3.36Å; I756-G773 PolarHBondContact O-N 3.2Å; I756-G773 VanDerWaalsContact O-N 3.17Å; I756-W775 HydrophobicContact CD1-CB 3.56Å; I756-W775 HydrophobicContact CD1-CG 4.33Å; I756-W775 HydrophobicContact CG1-CB 4.44Å; I756-L779 HydrophobicContact CG2-CD1 4.3Å
757	T	97.2	Very high	88.7	Confident	27 Å²	27	73.1 Å²	73.1	17%	0.166	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	151.9	167.8	-170.3	0	0	0	0	110.6	Q741 I743 I771	Q741-T757 HydrophobicContact CB-CG2 4.41Å; Q741-T757 PolarHBondContact N-O 2.74Å; Q741-T757 PolarHBondContact O-N 3.13Å; Q741-T757 VanDerWaalsContact O-N 3.14Å; I743-T757 HydrophobicContact CD1-CG2 4.15Å; T757-I771 CarbonylContact C-O 3.58Å; T757-I771 VanDerWaalsContact CA-O 3.26Å; T757-I771 WeakPolarHBondContact CA-O 3.28Å; T757-I771 PolarHBondContact OG1-O 3.19Å
758	G	97.7	Very high	90	Very high	4 Å²	4	66.2 Å²	66.2	4%	0.041	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.4	179.4	174.7	0	0	0	0	0	112.8	N739 I771	N739-G758 WeakPolarHBondContact O-CA 3.41Å; G758-I771 PolarHBondContact N-O 2.92Å; G758-I771 PolarHBondContact O-N 3.08Å
759	F	98.1	Very high	91.4	Very high	90 Å²	90	59.3 Å²	59.3	40%	0.395	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	130.2	179.8	-65	-83.6	0	0	0	110.1	C738 N739 P767 A769 V770 L784	C738-F759 WeakPolarHBondContact CA-O 3.3Å; C738-F759 PolarHBondContact SG-O 3.47Å; N739-F759 PolarHBondContact N-O 2.82Å; N739-F759 PolarHBondContact O-N 3.21Å; F759-P767 HydrophobicContact CB-CB 4.3Å; F759-P767 HydrophobicContact CD1-CB 4.19Å; F759-P767 HydrophobicContact CG-CB 4.49Å; F759-A769 CarbonylContact C-O 3.58Å; F759-A769 WeakPolarHBondContact CA-O 3.48Å; F759-V770 HydrophobicContact CD1-CB 4.16Å; F759-V770 HydrophobicContact CD1-CG2 4.29Å; F759-V770 HydrophobicContact CE1-CB 4.05Å; F759-V770 HydrophobicContact CE1-CG2 3.92Å; F759-V770 HydrophobicContact CZ-CG2 4.42Å; F759-L784 HydrophobicContact CD1-CD1 3.78Å; F759-L784 HydrophobicContact CE1-CD1 4.02Å
760	V	98.6	Very high	93.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	128.9	163.9	-179.2	0	0	0	0	107.7	V599 M602 Y736 S737 C738 P767 V768 A769 I771	V599-V760 HydrophobicContact CG1-CG1 4.18Å; M602-V760 HydrophobicContact CB-CG1 4.16Å; M602-V760 HydrophobicContact CG-CB 4.49Å; M602-V760 HydrophobicContact CG-CG1 3.84Å; M602-V760 HydrophobicContact CG-CG2 3.92Å; Y736-V760 HydrophobicContact CD1-CG1 4.35Å; S737-V760 CarbonylContact O-C 3.57Å; S737-V760 WeakPolarHBondContact O-CA 3.4Å; C738-V760 HydrophobicContact CB-CG2 4.35Å; V760-P767 CarbonylContact O-C 3.55Å; V760-P767 WeakPolarHBondContact O-CA 3.25Å; V760-V768 HydrophobicContact CB-CG2 4.36Å; V760-V768 HydrophobicContact CG1-CG2 4Å; V760-V768 WeakPolarHBondContact O-CG2 3.24Å; V760-V768 PolarHBondContact O-N 3.48Å; V760-A769 HydrophobicContact CB-CB 4.05Å; V760-A769 HydrophobicContact CG2-CB 4.22Å; V760-A769 PolarHBondContact N-O 3.19Å; V760-A769 PolarHBondContact O-N 2.96Å; V760-I771 HydrophobicContact CG2-CD1 4.18Å; V760-I771 HydrophobicContact CG2-CG1 4.2Å
761	K	98.4	Very high	94.5	Very high	53 Å²	53	44.7 Å²	44.7	23%	0.23	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	140.6	177.3	-64.1	171.8	-177.3	169.5	0	109.2	Y736 S737 N739 L766	Y736-K761 WeakPolarHBondContact CA-O 3.46Å; Y736-K761 WeakPolarHBondContact CD1-O 3.23Å; S737-K761 PolarHBondContact N-O 3.04Å; S737-K761 PolarHBondContact O-N 3.3Å; N739-K761 PolarHBondContact ND2-NZ 3.08Å; K761-L766 VanDerWaalsContact CA-O 3.28Å; K761-L766 WeakPolarHBondContact CA-O 2.92Å
762	N	97.5	Very high	95.9	Very high	28 Å²	28	45.9 Å²	45.9	15%	0.15	25%	0.25	C	C	.	.			trans	-76.2	-178.8	170.1	68	6.2	0	0	0	111.2	Y736 T764 G765 L766 V768	Y736-N762 HydrophobicContact CD1-CB 4.34Å; Y736-N762 HydrophobicContact CE1-CB 3.75Å; Y736-N762 HydrophobicContact CE2-CB 4.3Å; N762-T764 PolarHBondContact ND2-OG1 2.78Å; N762-T764 PolarHBondContact O-N 2.85Å; N762-T764 VanDerWaalsContact O-N 3.08Å; N762-T764 PolarHBondContact OD1-N 3.05Å; N762-T764 VanDerWaalsContact OD1-N 3.12Å; N762-T764 PolarHBondContact OD1-OG1 3.28Å; N762-G765 PolarHBondContact O-N 2.99Å; N762-G765 PolarHBondContact OD1-N 2.82Å; N762-L766 PolarHBondContact N-O 3.22Å; N762-L766 VanDerWaalsContact N-O 3.07Å; N762-L766 WeakPolarHBondContact OD1-CB 3.3Å; N762-L766 PolarHBondContact OD1-N 3.39Å; N762-L766 PolarHBondContact OD1-O 3.06Å; N762-V768 HydrophobicContact CB-CG1 4.11Å
763	S	96.6	Very high	96.8	Very high	81 Å²	81	40.7 Å²	40.7	57%	0.566	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-17.6	179.4	58.1	0	0	0	0	115.4	T734	T734-S763 WeakPolarHBondContact O-CB 3.4Å
764	T	96.3	Very high	97.2	Very high	114 Å²	114	38.1 Å²	38.1	70%	0.699	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-2.2	175.1	70.2	0	0	0	0	113	N762 L766	N762-T764 PolarHBondContact ND2-OG1 2.78Å; N762-T764 PolarHBondContact O-N 2.85Å; N762-T764 VanDerWaalsContact O-N 3.08Å; N762-T764 PolarHBondContact OD1-N 3.05Å; N762-T764 VanDerWaalsContact OD1-N 3.12Å; N762-T764 PolarHBondContact OD1-OG1 3.28Å; T764-L766 VanDerWaalsContact C-N 3.35Å
765	G	94.8	Very high	97.4	Very high	43 Å²	43	35 Å²	35	44%	0.443	20%	0.196	S	C	.	.	S	Bend	trans	83.5	4.8	-176.4	0	0	0	0	0	114.5	N762	N762-G765 PolarHBondContact O-N 2.99Å; N762-G765 PolarHBondContact OD1-N 2.82Å
766	L	96.5	Very high	97.4	Very high	62 Å²	62	31.4 Å²	31.4	33%	0.325	19%	0.185	S	C	.	.			trans	-75.4	128.1	177.6	-175.5	70.8	0	0	0	110.2	K761 N762 T764 V768	K761-L766 VanDerWaalsContact CA-O 3.28Å; K761-L766 WeakPolarHBondContact CA-O 2.92Å; N762-L766 PolarHBondContact N-O 3.22Å; N762-L766 VanDerWaalsContact N-O 3.07Å; N762-L766 WeakPolarHBondContact OD1-CB 3.3Å; N762-L766 PolarHBondContact OD1-N 3.39Å; N762-L766 PolarHBondContact OD1-O 3.06Å; T764-L766 VanDerWaalsContact C-N 3.35Å; L766-V768 PolarHBondContact O-N 2.9Å
767	P	97.8	Very high	97.4	Very high	18 Å²	18	33.8 Å²	33.8	12%	0.117	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	125.7	171.1	-22.9	34.9	0	0	0	111.5	F759 V760 L784 K788	F759-P767 HydrophobicContact CB-CB 4.3Å; F759-P767 HydrophobicContact CD1-CB 4.19Å; F759-P767 HydrophobicContact CG-CB 4.49Å; V760-P767 CarbonylContact O-C 3.55Å; V760-P767 WeakPolarHBondContact O-CA 3.25Å; P767-L784 HydrophobicContact CB-CD1 3.93Å; P767-K788 HydrophobicContact CG-CD 4.48Å
768	V	97.9	Very high	97.4	Very high	27 Å²	27	35.8 Å²	35.8	16%	0.164	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	-16.1	-178.1	-67.8	0	0	0	0	113.3	V599 Y736 V760 N762 L766 L784	V599-V768 HydrophobicContact CG1-CG2 4.36Å; V599-V768 HydrophobicContact CG2-CB 4.42Å; V599-V768 HydrophobicContact CG2-CG2 3.62Å; Y736-V768 HydrophobicContact CE1-CG2 4.45Å; V760-V768 HydrophobicContact CB-CG2 4.36Å; V760-V768 HydrophobicContact CG1-CG2 4Å; V760-V768 WeakPolarHBondContact O-CG2 3.24Å; V760-V768 PolarHBondContact O-N 3.48Å; N762-V768 HydrophobicContact CB-CG1 4.11Å; L766-V768 PolarHBondContact O-N 2.9Å; V768-L784 PolarHBondContact O-N 3.48Å
769	A	98.5	Very high	97.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	153.9	168.5	0	0	0	0	0	110.6	V599 F759 V760 Y781 Q782	V599-A769 HydrophobicContact CG1-CB 3.72Å; F759-A769 CarbonylContact C-O 3.58Å; F759-A769 WeakPolarHBondContact CA-O 3.48Å; V760-A769 HydrophobicContact CB-CB 4.05Å; V760-A769 HydrophobicContact CG2-CB 4.22Å; V760-A769 PolarHBondContact N-O 3.19Å; V760-A769 PolarHBondContact O-N 2.96Å; A769-Y781 HydrophobicContact CB-CD2 4.19Å; A769-Q782 CarbonylContact C-O 3.41Å; A769-Q782 WeakPolarHBondContact CA-O 3.01Å; A769-Q782 WeakPolarHBondContact CB-O 3.36Å
770	V	98.4	Very high	97.5	Very high	16 Å²	16	33.1 Å²	33.1	10%	0.097	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	141.1	170	60.3	0	0	0	0	109.2	F759 Y781 Q782 L784	F759-V770 HydrophobicContact CD1-CB 4.16Å; F759-V770 HydrophobicContact CD1-CG2 4.29Å; F759-V770 HydrophobicContact CE1-CB 4.05Å; F759-V770 HydrophobicContact CE1-CG2 3.92Å; F759-V770 HydrophobicContact CZ-CG2 4.42Å; V770-Y781 VanDerWaalsContact O-CA 3.22Å; V770-Y781 WeakPolarHBondContact O-CA 3.39Å; V770-Y781 WeakPolarHBondContact O-CB 3.16Å; V770-Q782 HydrophobicContact CG1-CB 3.99Å; V770-Q782 PolarHBondContact N-O 2.97Å; V770-Q782 PolarHBondContact O-N 2.82Å; V770-L784 HydrophobicContact CB-CD1 4.4Å; V770-L784 HydrophobicContact CB-CD2 4.21Å; V770-L784 HydrophobicContact CB-CG 4.47Å; V770-L784 HydrophobicContact CG1-CD2 4.02Å
771	I	98.5	Very high	97.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	134.4	172.3	-55.8	-64.9	0	0	0	107.7	V606 L740 T757 G758 V760 L779 L797	V606-I771 HydrophobicContact CG1-CD1 4.14Å; V606-I771 HydrophobicContact CG1-CG1 4.13Å; V606-I771 HydrophobicContact CG1-CG2 3.86Å; L740-I771 HydrophobicContact CD2-CB 4.05Å; L740-I771 HydrophobicContact CD2-CG1 4.28Å; L740-I771 HydrophobicContact CD2-CG2 3.85Å; T757-I771 CarbonylContact C-O 3.58Å; T757-I771 VanDerWaalsContact CA-O 3.26Å; T757-I771 WeakPolarHBondContact CA-O 3.28Å; T757-I771 PolarHBondContact OG1-O 3.19Å; G758-I771 PolarHBondContact N-O 2.92Å; G758-I771 PolarHBondContact O-N 3.08Å; V760-I771 HydrophobicContact CG2-CD1 4.18Å; V760-I771 HydrophobicContact CG2-CG1 4.2Å; I771-L779 HydrophobicContact CG2-CD1 3.72Å; I771-L779 HydrophobicContact CG2-CD2 4.12Å; I771-L779 HydrophobicContact CG2-CG 3.98Å; I771-L797 HydrophobicContact CD1-CD1 4.42Å
772	Q	97.7	Very high	97.5	Very high	63 Å²	63	33.1 Å²	33.1	29%	0.294	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	153.3	174.8	63.7	-170.2	-16	0	0	111.7	I756 E780	I756-Q772 WeakPolarHBondContact O-CA 3.27Å; Q772-E780 VanDerWaalsContact CD-OE1 3.23Å; Q772-E780 HydrophobicContact CG-CG 3.58Å; Q772-E780 WeakPolarHBondContact CG-OE1 3.38Å; Q772-E780 PolarHBondContact N-O 3.45Å; Q772-E780 VanDerWaalsContact N-O 3.09Å; Q772-E780 PolarHBondContact NE2-OE1 3.07Å; Q772-E780 WeakPolarHBondContact O-CG 3.35Å; Q772-E780 PolarHBondContact O-N 3.09Å
773	G	97.6	Very high	97.5	Very high	3 Å²	3	35.4 Å²	35.4	3%	0.031	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.9	-159.2	176	0	0	0	0	0	112.7	R755 I756 Y778	R755-G773 WeakPolarHBondContact CA-O 3.27Å; I756-G773 PolarHBondContact N-O 3.36Å; I756-G773 PolarHBondContact O-N 3.2Å; I756-G773 VanDerWaalsContact O-N 3.17Å; G773-Y778 CarbonylContact C-O 3.56Å; G773-Y778 WeakPolarHBondContact CA-O 3.36Å
774	T	97.4	Very high	97.6	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	138.6	170.4	70.5	0	0	0	0	110.2	Q752 R754 D776 S777 Y778	Q752-T774 VanDerWaalsContact CD-CG2 3.48Å; Q752-T774 HydrophobicContact CG-CG2 3.88Å; R754-T774 WeakPolarHBondContact O-CA 3.47Å; R754-T774 WeakPolarHBondContact O-CB 3.19Å; T774-D776 WeakPolarHBondContact CB-OD1 3.22Å; T774-D776 PolarHBondContact O-N 2.95Å; T774-D776 PolarHBondContact OG1-OD1 3.08Å; T774-S777 PolarHBondContact O-N 2.76Å; T774-S777 VanDerWaalsContact O-N 3.14Å; T774-S777 WeakPolarHBondContact OG1-CB 3.47Å; T774-S777 PolarHBondContact OG1-N 2.99Å; T774-S777 PolarHBondContact OG1-OG 2.88Å; T774-Y778 PolarHBondContact N-O 3.34Å; T774-Y778 PolarHBondContact O-N 2.92Å
775	W	97.2	Very high	97.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-10.8	-174.8	49.3	-104	0	0	0	114.5	V610 A617 N723 F742 R754 I756 W798	V610-W775 HydrophobicContact CG1-CB 4.14Å; A617-W775 HydrophobicContact CB-CZ3 3.97Å; N723-W775 HydrophobicContact CB-CZ2 4.46Å; F742-W775 HydrophobicContact CE1-CB 4.32Å; R754-W775 HydrophobicContact CB-CD2 4.03Å; R754-W775 VanDerWaalsContact CB-CE2 3.49Å; R754-W775 HydrophobicContact CB-CG 4.29Å; R754-W775 HydrophobicContact CB-CZ2 3.91Å; R754-W775 HydrophobicContact CG-CD2 4.38Å; R754-W775 HydrophobicContact CG-CH2 4.07Å; R754-W775 HydrophobicContact CG-CZ2 3.4Å; R754-W775 VanDerWaalsContact CG-CZ2 3.4Å; R754-W775 PolarHBondContact O-N 2.78Å; R754-W775 VanDerWaalsContact O-N 3.16Å; I756-W775 HydrophobicContact CD1-CB 3.56Å; I756-W775 HydrophobicContact CD1-CG 4.33Å; I756-W775 HydrophobicContact CG1-CB 4.44Å; W775-W798 WeakPolarHBondContact O-CH2 3.38Å
776	D	95.9	Very high	97.2	Very high	29 Å²	29	33.6 Å²	33.6	16%	0.155	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-7.8	-179.9	69.2	-24.5	0	0	0	114.2	A617 R754 T774 P800	A617-D776 HydrophobicContact CB-CB 3.83Å; R754-D776 VanDerWaalsContact CD-CG 3.47Å; R754-D776 WeakPolarHBondContact CD-OD2 3.01Å; R754-D776 IonicContact CZ-OD2 2.87Å; R754-D776 IonicContact NE-OD2 2.96Å; R754-D776 PolarHBondContact NE-OD2 3.32Å; R754-D776 IonicContact NH2-OD2 3.97Å; T774-D776 WeakPolarHBondContact CB-OD1 3.22Å; T774-D776 PolarHBondContact O-N 2.95Å; T774-D776 PolarHBondContact OG1-OD1 3.08Å; D776-P800 WeakPolarHBondContact O-CG 3.46Å
777	S	96.9	Very high	96.9	Very high	50 Å²	50	36.8 Å²	36.8	35%	0.35	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136	-46.9	-169.9	-52.9	0	0	0	0	114.7	T774 K799 P800	T774-S777 PolarHBondContact O-N 2.76Å; T774-S777 VanDerWaalsContact O-N 3.14Å; T774-S777 WeakPolarHBondContact OG1-CB 3.47Å; T774-S777 PolarHBondContact OG1-N 2.99Å; T774-S777 PolarHBondContact OG1-OG 2.88Å; S777-K799 WeakPolarHBondContact O-CG 3.33Å; S777-P800 VanDerWaalsContact C-CD 3.49Å; S777-P800 WeakPolarHBondContact O-CD 3.2Å
778	Y	98.2	Very high	96.6	Very high	70 Å²	70	42 Å²	42	28%	0.275	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	160.3	-179.3	73.6	-77.2	0	0	0	112.1	G773 T774 E780 L796 W798	G773-Y778 CarbonylContact C-O 3.56Å; G773-Y778 WeakPolarHBondContact CA-O 3.36Å; T774-Y778 PolarHBondContact N-O 3.34Å; T774-Y778 PolarHBondContact O-N 2.92Å; Y778-E780 HydrophobicContact CD2-CG 4.27Å; Y778-E780 HydrophobicContact CE2-CG 3.92Å; Y778-L796 HydrophobicContact CD2-CD1 4.31Å; Y778-W798 CarbonylContact C-O 3.58Å; Y778-W798 VanDerWaalsContact CA-O 3.29Å; Y778-W798 WeakPolarHBondContact CA-O 2.9Å
779	L	98.6	Very high	96.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	136.1	166.8	-162.3	74	0	0	0	110.3	V606 A607 V610 I756 I771 L797 W798	V606-L779 HydrophobicContact CG1-CD2 3.77Å; A607-L779 HydrophobicContact CB-CD2 4.11Å; V610-L779 HydrophobicContact CB-CD2 4.03Å; V610-L779 HydrophobicContact CG1-CD1 4.39Å; V610-L779 HydrophobicContact CG1-CD2 4.42Å; V610-L779 HydrophobicContact CG2-CD1 4.41Å; V610-L779 HydrophobicContact CG2-CD2 3.91Å; I756-L779 HydrophobicContact CG2-CD1 4.3Å; I771-L779 HydrophobicContact CG2-CD1 3.72Å; I771-L779 HydrophobicContact CG2-CD2 4.12Å; I771-L779 HydrophobicContact CG2-CG 3.98Å; L779-L797 HydrophobicContact CD2-CD1 4.4Å; L779-L797 WeakPolarHBondContact O-CB 3.4Å; L779-L797 PolarHBondContact O-N 3.32Å; L779-W798 HydrophobicContact CB-CE3 4.07Å; L779-W798 PolarHBondContact N-O 3.43Å; L779-W798 PolarHBondContact O-N 2.71Å
780	E	98.4	Very high	96.1	Very high	38 Å²	38	47.8 Å²	47.8	18%	0.178	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	160.9	178.3	62.1	174.8	-164.9	0	0	111.5	Q772 Y778 S794 V795	Q772-E780 VanDerWaalsContact CD-OE1 3.23Å; Q772-E780 HydrophobicContact CG-CG 3.58Å; Q772-E780 WeakPolarHBondContact CG-OE1 3.38Å; Q772-E780 PolarHBondContact N-O 3.45Å; Q772-E780 VanDerWaalsContact N-O 3.09Å; Q772-E780 PolarHBondContact NE2-OE1 3.07Å; Q772-E780 WeakPolarHBondContact O-CG 3.35Å; Q772-E780 PolarHBondContact O-N 3.09Å; Y778-E780 HydrophobicContact CD2-CG 4.27Å; Y778-E780 HydrophobicContact CE2-CG 3.92Å; E780-S794 WeakPolarHBondContact CB-OG 3.46Å; E780-S794 WeakPolarHBondContact CG-OG 3.46Å; E780-S794 PolarHBondContact OE1-OG 2.8Å; E780-S794 WeakPolarHBondContact OE2-CB 3.3Å; E780-S794 PolarHBondContact OE2-OG 3Å; E780-V795 CarbonylContact C-O 3.55Å; E780-V795 WeakPolarHBondContact CA-O 3.28Å; E780-V795 VanDerWaalsContact CB-O 3.32Å; E780-V795 WeakPolarHBondContact CB-O 3.35Å
781	Y	98.4	Very high	95.9	Very high	16 Å²	16	50.9 Å²	50.9	6%	0.063	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	153.7	171	85.6	-67.6	0	0	0	112.7	A603 A769 V770 V795 L797	A603-Y781 HydrophobicContact CB-CD1 4.14Å; A603-Y781 HydrophobicContact CB-CD2 4.06Å; A603-Y781 HydrophobicContact CB-CE1 4.37Å; A603-Y781 HydrophobicContact CB-CE2 4.33Å; A603-Y781 HydrophobicContact CB-CG 3.96Å; A769-Y781 HydrophobicContact CB-CD2 4.19Å; V770-Y781 VanDerWaalsContact O-CA 3.22Å; V770-Y781 WeakPolarHBondContact O-CA 3.39Å; V770-Y781 WeakPolarHBondContact O-CB 3.16Å; Y781-V795 HydrophobicContact CD1-CB 3.78Å; Y781-V795 HydrophobicContact CD1-CG1 4.25Å; Y781-V795 HydrophobicContact CE1-CB 3.51Å; Y781-V795 HydrophobicContact CE1-CG1 3.71Å; Y781-V795 HydrophobicContact CE1-CG2 4.13Å; Y781-V795 PolarHBondContact N-O 3.49Å; Y781-V795 PolarHBondContact O-N 3.09Å; Y781-L797 HydrophobicContact CD1-CD1 3.89Å; Y781-L797 HydrophobicContact CD1-CD2 3.46Å; Y781-L797 VanDerWaalsContact CD1-CD2 3.46Å; Y781-L797 HydrophobicContact CD1-CG 3.63Å; Y781-L797 HydrophobicContact CE1-CD2 3.64Å; Y781-L797 HydrophobicContact CE1-CG 4.3Å; Y781-L797 HydrophobicContact CG-CD1 4.25Å; Y781-L797 HydrophobicContact CG-CD2 4.45Å; Y781-L797 HydrophobicContact CG-CG 4.47Å
782	Q	98.4	Very high	95.7	Very high	36 Å²	36	53.7 Å²	53.7	17%	0.168	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	139.1	175.5	-164.8	175	19.7	0	0	109.8	A769 V770 P790 G792	A769-Q782 CarbonylContact C-O 3.41Å; A769-Q782 WeakPolarHBondContact CA-O 3.01Å; A769-Q782 WeakPolarHBondContact CB-O 3.36Å; V770-Q782 HydrophobicContact CG1-CB 3.99Å; V770-Q782 PolarHBondContact N-O 2.97Å; V770-Q782 PolarHBondContact O-N 2.82Å; Q782-P790 HydrophobicContact CG-CB 3.94Å; Q782-G792 PolarHBondContact NE2-O 2.77Å
783	R	98.3	Very high	95.5	Very high	77 Å²	77	58.6 Å²	58.6	29%	0.291	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	148.5	177.1	-68.5	-71.3	171.1	139.7	2.2	110.5	D597 V599 P790 V791	D597-R783 IonicContact OD1-CZ 2.72Å; D597-R783 IonicContact OD1-NH1 3.36Å; D597-R783 PolarHBondContact OD1-NH1 3.07Å; D597-R783 IonicContact OD1-NH2 3.89Å; D597-R783 PolarHBondContact OD1-NH2 3.14Å; D597-R783 IonicContact OD2-CZ 3.96Å; D597-R783 VanDerWaalsContact OD2-CZ 3.32Å; D597-R783 IonicContact OD2-NH1 2.64Å; D597-R783 PolarHBondContact OD2-NH1 3.16Å; D597-R783 IonicContact OD2-NH2 3.32Å; D597-R783 PolarHBondContact OD2-NH2 3.32Å; V599-R783 VanDerWaalsContact CB-CZ 3.41Å; R783-P790 CarbonylContact O-C 3.48Å; R783-P790 WeakPolarHBondContact O-CA 3.37Å; R783-V791 PolarHBondContact O-N 3.13Å
784	L	97.6	Very high	95.4	Very high	22 Å²	22	60.2 Å²	60.2	12%	0.115	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	142.7	174.9	-63.3	177.8	0	0	0	110.3	F759 P767 V768 V770 V789 P790	F759-L784 HydrophobicContact CD1-CD1 3.78Å; F759-L784 HydrophobicContact CE1-CD1 4.02Å; P767-L784 HydrophobicContact CB-CD1 3.93Å; V768-L784 PolarHBondContact O-N 3.48Å; V770-L784 HydrophobicContact CB-CD1 4.4Å; V770-L784 HydrophobicContact CB-CD2 4.21Å; V770-L784 HydrophobicContact CB-CG 4.47Å; V770-L784 HydrophobicContact CG1-CD2 4.02Å; L784-V789 CarbonylContact C-O 3.58Å; L784-V789 WeakPolarHBondContact CA-O 3.14Å; L784-P790 HydrophobicContact CD2-CB 4.23Å; L784-P790 HydrophobicContact CD2-CG 3.95Å
785	S	93.4	Very high	95.5	Very high	35 Å²	35	63 Å²	63	25%	0.245	35%	0.345	C	S	.	.			trans	-68.4	169.9	163.9	72	0	0	0	0	110.9	D787 K788 V789	S785-D787 PolarHBondContact O-N 3.34Å; S785-D787 PolarHBondContact OG-N 2.81Å; S785-K788 WeakPolarHBondContact O-CA 3.44Å; S785-K788 PolarHBondContact O-N 3.36Å; S785-V789 PolarHBondContact N-O 3.41Å; S785-V789 PolarHBondContact OG-N 2.91Å; S785-V789 VanDerWaalsContact OG-N 3.17Å; S785-V789 PolarHBondContact OG-O 2.9Å
786	I	89.7	Confident	95.5	Very high	143 Å²	143	67 Å²	67	73%	0.733	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-32.3	172.9	-62.4	169.1	0	0	0	111.2	K788	I786-K788 PolarHBondContact O-N 3.33Å
787	D	91	Very high	95.7	Very high	128 Å²	128	66.3 Å²	66.3	68%	0.684	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	10.1	175.8	-61.3	-48.6	0	0	0	113.4	S785 V789	S785-D787 PolarHBondContact O-N 3.34Å; S785-D787 PolarHBondContact OG-N 2.81Å; D787-V789 VanDerWaalsContact C-N 3.26Å; D787-V789 HydrophobicContact CB-CG2 4.42Å; D787-V789 PolarHBondContact O-N 3.1Å
788	K	90.1	Very high	95.7	Very high	128 Å²	128	64.4 Å²	64.4	56%	0.557	35%	0.347	S	S	*	.	S	Bend	trans	62.9	26.6	179.8	-51.8	176.7	-177.6	176.8	0	114.5	P767 S785 I786	P767-K788 HydrophobicContact CG-CD 4.48Å; S785-K788 WeakPolarHBondContact O-CA 3.44Å; S785-K788 PolarHBondContact O-N 3.36Å; I786-K788 PolarHBondContact O-N 3.33Å
789	V	92.3	Very high	95.7	Very high	84 Å²	84	67.7 Å²	67.7	51%	0.509	36%	0.362	S	S	.	.			trans	-93.7	134.8	174.3	-177.8	0	0	0	0	108.7	L784 S785 D787 V791	L784-V789 CarbonylContact C-O 3.58Å; L784-V789 WeakPolarHBondContact CA-O 3.14Å; S785-V789 PolarHBondContact N-O 3.41Å; S785-V789 PolarHBondContact OG-N 2.91Å; S785-V789 VanDerWaalsContact OG-N 3.17Å; S785-V789 PolarHBondContact OG-O 2.9Å; D787-V789 VanDerWaalsContact C-N 3.26Å; D787-V789 HydrophobicContact CB-CG2 4.42Å; D787-V789 PolarHBondContact O-N 3.1Å; V789-V791 WeakPolarHBondContact O-CG2 3.48Å; V789-V791 PolarHBondContact O-N 3.25Å
790	P	95	Very high	95.7	Very high	65 Å²	65	68.9 Å²	68.9	42%	0.422	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	135.3	174.9	-18.9	29.9	0	0	0	112.9	Q782 R783 L784	Q782-P790 HydrophobicContact CG-CB 3.94Å; R783-P790 CarbonylContact O-C 3.48Å; R783-P790 WeakPolarHBondContact O-CA 3.37Å; L784-P790 HydrophobicContact CD2-CB 4.23Å; L784-P790 HydrophobicContact CD2-CG 3.95Å
791	V	94.1	Very high	95.6	Very high	80 Å²	80	72.4 Å²	72.4	49%	0.485	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141.3	-177.6	-177.3	0	0	0	0	109.5	R783 V789	R783-V791 PolarHBondContact O-N 3.13Å; V789-V791 WeakPolarHBondContact O-CG2 3.48Å; V789-V791 PolarHBondContact O-N 3.25Å
792	G	93.2	Very high	95.5	Very high	59 Å²	59	77.5 Å²	77.5	61%	0.608	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	77.7	-171.5	-177	0	0	0	0	0	112.3	Q782	Q782-G792 PolarHBondContact NE2-O 2.77Å
793	E	93.7	Very high	95.4	Very high	166 Å²	166	78.5 Å²	78.5	78%	0.776	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	151.5	175	-64.2	-173.9	164.5	0	0	110.9
794	S	96.7	Very high	95.2	Very high	38 Å²	38	76.1 Å²	76.1	27%	0.266	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	136.9	169.9	-173.4	0	0	0	0	109.7	E780	E780-S794 WeakPolarHBondContact CB-OG 3.46Å; E780-S794 WeakPolarHBondContact CG-OG 3.46Å; E780-S794 PolarHBondContact OE1-OG 2.8Å; E780-S794 WeakPolarHBondContact OE2-CB 3.3Å; E780-S794 PolarHBondContact OE2-OG 3Å
795	V	98	Very high	95	Very high	59 Å²	59	81.8 Å²	81.8	36%	0.358	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	120.4	-179.7	179.6	0	0	0	0	109.2	E780 Y781 L797	E780-V795 CarbonylContact C-O 3.55Å; E780-V795 WeakPolarHBondContact CA-O 3.28Å; E780-V795 VanDerWaalsContact CB-O 3.32Å; E780-V795 WeakPolarHBondContact CB-O 3.35Å; Y781-V795 HydrophobicContact CD1-CB 3.78Å; Y781-V795 HydrophobicContact CD1-CG1 4.25Å; Y781-V795 HydrophobicContact CE1-CB 3.51Å; Y781-V795 HydrophobicContact CE1-CG1 3.71Å; Y781-V795 HydrophobicContact CE1-CG2 4.13Å; Y781-V795 PolarHBondContact N-O 3.49Å; Y781-V795 PolarHBondContact O-N 3.09Å; V795-L797 PolarHBondContact O-N 3Å
796	L	98.6	Very high	95	Very high	84 Å²	84	83.2 Å²	83.2	44%	0.44	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	116.6	172	-179.3	69.7	0	0	0	109.5	Y778 W798	Y778-L796 HydrophobicContact CD2-CD1 4.31Å; L796-W798 WeakPolarHBondContact CD1-O 3.32Å
797	L	98.5	Very high	95.2	Very high	14 Å²	14	76.6 Å²	76.6	7%	0.073	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-41.2	178.3	-67.5	165.2	0	0	0	111.9	L588 A603 Y604 A607 I771 L779 Y781 V795	L588-L797 WeakPolarHBondContact CD2-O 3.42Å; A603-L797 HydrophobicContact CB-CD1 3.96Å; A603-L797 HydrophobicContact CB-CD2 3.92Å; A603-L797 WeakPolarHBondContact O-CD1 3.42Å; Y604-L797 HydrophobicContact CD1-CD2 4.06Å; Y604-L797 HydrophobicContact CE1-CD2 4.04Å; A607-L797 HydrophobicContact CB-CB 3.78Å; A607-L797 HydrophobicContact CB-CD1 4.29Å; I771-L797 HydrophobicContact CD1-CD1 4.42Å; L779-L797 HydrophobicContact CD2-CD1 4.4Å; L779-L797 WeakPolarHBondContact O-CB 3.4Å; L779-L797 PolarHBondContact O-N 3.32Å; Y781-L797 HydrophobicContact CD1-CD1 3.89Å; Y781-L797 HydrophobicContact CD1-CD2 3.46Å; Y781-L797 VanDerWaalsContact CD1-CD2 3.46Å; Y781-L797 HydrophobicContact CD1-CG 3.63Å; Y781-L797 HydrophobicContact CE1-CD2 3.64Å; Y781-L797 HydrophobicContact CE1-CG 4.3Å; Y781-L797 HydrophobicContact CG-CD1 4.25Å; Y781-L797 HydrophobicContact CG-CD2 4.45Å; Y781-L797 HydrophobicContact CG-CG 4.47Å; V795-L797 PolarHBondContact O-N 3Å
798	W	98.6	Very high	95.3	Very high	10 Å²	10	73.3 Å²	73.3	4%	0.038	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	147.6	-170.7	168.1	75.2	0	0	0	111.7	Y585 L588 A607 V610 S611 W775 Y778 L779 L796 P800	Y585-W798 AromaticContact CD1-CD1 3.77Å; Y585-W798 AromaticContact CD1-NE1 3.33Å; Y585-W798 VanDerWaalsContact CD1-NE1 3.33Å; Y585-W798 HydrophobicContact CD2-CZ2 4.39Å; Y585-W798 AromaticContact CD2-NE1 3.41Å; Y585-W798 AromaticContact CE1-NE1 3.5Å; Y585-W798 HydrophobicContact CE2-CZ2 4.02Å; Y585-W798 AromaticContact CE2-NE1 3.56Å; Y585-W798 AromaticContact CG-CD1 3.82Å; Y585-W798 AromaticContact CG-NE1 3.29Å; Y585-W798 VanDerWaalsContact CG-NE1 3.29Å; Y585-W798 AromaticContact CZ-NE1 3.63Å; L588-W798 HydrophobicContact CD1-CB 4.18Å; L588-W798 HydrophobicContact CD1-CG 4.14Å; L588-W798 HydrophobicContact CD2-CB 4.33Å; A607-W798 HydrophobicContact CB-CB 4.07Å; V610-W798 HydrophobicContact CG1-CE3 4.42Å; V610-W798 HydrophobicContact CG1-CZ3 4Å; S611-W798 VanDerWaalsContact CB-CE2 3.41Å; W775-W798 WeakPolarHBondContact O-CH2 3.38Å; Y778-W798 CarbonylContact C-O 3.58Å; Y778-W798 VanDerWaalsContact CA-O 3.29Å; Y778-W798 WeakPolarHBondContact CA-O 2.9Å; L779-W798 HydrophobicContact CB-CE3 4.07Å; L779-W798 PolarHBondContact N-O 3.43Å; L779-W798 PolarHBondContact O-N 2.71Å; L796-W798 WeakPolarHBondContact CD1-O 3.32Å; W798-P800 HydrophobicContact CH2-CG 3.64Å; W798-P800 HydrophobicContact CZ2-CB 4.16Å; W798-P800 HydrophobicContact CZ2-CG 3.55Å; W798-P800 HydrophobicContact CZ3-CG 4.5Å
799	K	98.2	Very high	95.4	Very high	139 Å²	139	69.4 Å²	69.4	60%	0.604	41%	0.408	S	S	*	.			trans	-147.5	139.6	171.5	171.1	169.6	-176.7	-177	0	108.3	S777	S777-K799 WeakPolarHBondContact O-CG 3.33Å
800	P	97.6	Very high	95.5	Very high	26 Å²	26	65.4 Å²	65.4	17%	0.169	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-64	145.6	176.1	-16.2	26.5	0	0	0	112.8	Y585 D776 S777 W798	Y585-P800 VanDerWaalsContact OH-CA 3.23Å; Y585-P800 WeakPolarHBondContact OH-CA 3.47Å; D776-P800 WeakPolarHBondContact O-CG 3.46Å; S777-P800 VanDerWaalsContact C-CD 3.49Å; S777-P800 WeakPolarHBondContact O-CD 3.2Å; W798-P800 HydrophobicContact CH2-CG 3.64Å; W798-P800 HydrophobicContact CZ2-CB 4.16Å; W798-P800 HydrophobicContact CZ2-CG 3.55Å; W798-P800 HydrophobicContact CZ3-CG 4.5Å
801	D	96.3	Very high	95.4	Very high	111 Å²	111	64 Å²	64	59%	0.594	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-67.8	143.7	169.2	-69	-37.6	0	0	0	110.8	Y585 L803	Y585-D801 PolarHBondContact OH-N 2.9Å; D801-L803 PolarHBondContact O-N 2.94Å
802	P	95.7	Very high	95.5	Very high	124 Å²	124	63.6 Å²	63.6	81%	0.805	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-58.2	136.9	172.3	-22.9	33.3	0	0	0	111.7
803	L	96.2	Very high	95.7	Very high	56 Å²	56	60.8 Å²	60.8	29%	0.293	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-64.8	152.5	172.1	-65.6	-178.4	0	0	0	111.1	Y618 D801 A807	Y618-L803 HydrophobicContact CD2-CD1 3.71Å; Y618-L803 HydrophobicContact CE2-CD1 4.08Å; Y618-L803 HydrophobicContact CG-CD1 4.13Å; D801-L803 PolarHBondContact O-N 2.94Å; L803-A807 HydrophobicContact CB-CB 3.85Å; L803-A807 HydrophobicContact CD1-CB 4.25Å
804	P	95.8	Very high	95.8	Very high	27 Å²	27	54 Å²	54	18%	0.175	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-52.3	145.2	169.3	-26.1	34.4	0	0	0	112.1	N806 A807 M810 F813 I818	P804-N806 PolarHBondContact O-N 3.29Å; P804-N806 VanDerWaalsContact O-N 3.09Å; P804-A807 HydrophobicContact CB-CB 4.42Å; P804-A807 WeakPolarHBondContact O-CB 3.37Å; P804-A807 PolarHBondContact O-N 2.87Å; P804-M810 HydrophobicContact CB-CE 4.24Å; P804-F813 WeakPolarHBondContact CD-O 3.46Å; P804-I818 HydrophobicContact CG-CD1 3.89Å
805	P	93.5	Very high	95.8	Very high	141 Å²	141	58.8 Å²	58.8	92%	0.916	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-31.2	-176.7	-27.9	35	0	0	0	114.9
806	N	92.7	Very high	95.7	Very high	65 Å²	65	56.4 Å²	56.4	35%	0.348	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	20.3	178	65.4	-35.6	0	0	0	113	P804 S808 D809 M810	P804-N806 PolarHBondContact O-N 3.29Å; P804-N806 VanDerWaalsContact O-N 3.09Å; N806-S808 PolarHBondContact O-N 2.87Å; N806-D809 WeakPolarHBondContact O-CB 3.48Å; N806-D809 PolarHBondContact O-N 2.82Å; N806-M810 WeakPolarHBondContact ND2-CE 3.49Å; N806-M810 VanDerWaalsContact OD1-CE 3.25Å; N806-M810 WeakPolarHBondContact OD1-CE 2.81Å
807	A	94.4	Very high	95.7	Very high	4 Å²	4	52.4 Å²	52.4	3%	0.033	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-58.2	-32.8	-176.4	0	0	0	0	0	113.2	L803 P804 D809 M810 Y811 H812	L803-A807 HydrophobicContact CB-CB 3.85Å; L803-A807 HydrophobicContact CD1-CB 4.25Å; P804-A807 HydrophobicContact CB-CB 4.42Å; P804-A807 WeakPolarHBondContact O-CB 3.37Å; P804-A807 PolarHBondContact O-N 2.87Å; A807-D809 PolarHBondContact O-N 2.93Å; A807-M810 CarbonylContact O-C 3.39Å; A807-M810 WeakPolarHBondContact O-CA 3.33Å; A807-M810 PolarHBondContact O-N 2.99Å; A807-Y811 PolarHBondContact O-N 3.38Å; A807-H812 WeakPolarHBondContact O-CA 3.33Å; A807-H812 PolarHBondContact O-N 3.22Å
808	S	91.9	Very high	95.7	Very high	59 Å²	59	51.8 Å²	51.8	41%	0.413	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-62.1	-22.5	175.8	56.7	0	0	0	0	114	N806	N806-S808 PolarHBondContact O-N 2.87Å
809	D	93.1	Very high	95.6	Very high	46 Å²	46	51.9 Å²	51.9	25%	0.246	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-88	-11.6	174.5	-61.9	-32.6	0	0	0	111.6	V540 S541 K543 N806 A807	V540-D809 HydrophobicContact CG1-CB 4.09Å; V540-D809 HydrophobicContact CG2-CB 4.35Å; S541-D809 WeakPolarHBondContact CB-O 3.44Å; S541-D809 PolarHBondContact N-O 3.23Å; S541-D809 PolarHBondContact OG-O 3.43Å; K543-D809 VanDerWaalsContact CE-OD1 3.28Å; K543-D809 WeakPolarHBondContact CE-OD1 3.38Å; K543-D809 IonicContact NZ-OD1 3.05Å; K543-D809 PolarHBondContact NZ-OD1 3.03Å; N806-D809 WeakPolarHBondContact O-CB 3.48Å; N806-D809 PolarHBondContact O-N 2.82Å; A807-D809 PolarHBondContact O-N 2.93Å
810	M	94	Very high	95.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	48.8	-178.2	-61.4	-176.2	-61.3	0	0	111.2	A537 I538 P804 N806 A807 H812 F813 I818	A537-M810 HydrophobicContact CB-SD 3.92Å; I538-M810 HydrophobicContact CD1-CB 4.12Å; I538-M810 HydrophobicContact CG1-CB 3.79Å; I538-M810 HydrophobicContact CG1-CG 3.76Å; I538-M810 HydrophobicContact CG1-SD 3.93Å; I538-M810 PolarHBondContact N-SD 3.21Å; I538-M810 VanDerWaalsContact N-SD 3.41Å; P804-M810 HydrophobicContact CB-CE 4.24Å; N806-M810 WeakPolarHBondContact ND2-CE 3.49Å; N806-M810 VanDerWaalsContact OD1-CE 3.25Å; N806-M810 WeakPolarHBondContact OD1-CE 2.81Å; A807-M810 CarbonylContact O-C 3.39Å; A807-M810 WeakPolarHBondContact O-CA 3.33Å; A807-M810 PolarHBondContact O-N 2.99Å; M810-H812 PolarHBondContact O-N 3.12Å; M810-F813 WeakPolarHBondContact O-CB 3.2Å; M810-F813 WeakPolarHBondContact O-CG 3.48Å; M810-F813 PolarHBondContact O-N 3.48Å; M810-I818 HydrophobicContact CE-CD1 3.6Å; M810-I818 HydrophobicContact SD-CD1 4.18Å
811	Y	93.4	Very high	95.6	Very high	35 Å²	35	44.1 Å²	44.1	14%	0.137	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	25.5	175.3	-50.5	-89.4	0	0	0	114.7	I538 P572 R619 A807 F813 M841	I538-Y811 HydrophobicContact CD1-CD2 3.89Å; I538-Y811 HydrophobicContact CD1-CE2 4.2Å; P572-Y811 HydrophobicContact CG-CD2 3.85Å; P572-Y811 HydrophobicContact CG-CE2 3.65Å; R619-Y811 WeakPolarHBondContact CG-O 3.18Å; A807-Y811 PolarHBondContact O-N 3.38Å; Y811-F813 WeakPolarHBondContact O-CD1 3.49Å; Y811-F813 PolarHBondContact O-N 2.89Å; Y811-M841 HydrophobicContact CE1-CE 3.99Å
812	H	94.7	Very high	95.7	Very high	72 Å²	72	41 Å²	41	33%	0.333	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	31.8	-172.8	-63.8	-83.1	0	0	0	114.1	R619 A807 M810	R619-H812 WeakPolarHBondContact CD-O 3.39Å; R619-H812 HydrophobicContact CG-CB 3.91Å; A807-H812 WeakPolarHBondContact O-CA 3.33Å; A807-H812 PolarHBondContact O-N 3.22Å; M810-H812 PolarHBondContact O-N 3.12Å
813	F	97.3	Very high	95.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.21	C	C	.	.			trans	-67.2	137.3	178	-74.5	1	0	0	0	112	I538 E571 P572 L573 P804 M810 Y811 A817 I818	I538-F813 HydrophobicContact CD1-CD2 3.71Å; I538-F813 HydrophobicContact CD1-CE2 3.82Å; E571-F813 HydrophobicContact CB-CE1 3.92Å; E571-F813 HydrophobicContact CB-CZ 4Å; P572-F813 HydrophobicContact CG-CE2 4Å; P572-F813 HydrophobicContact CG-CZ 3.98Å; L573-F813 HydrophobicContact CD1-CE1 4.06Å; L573-F813 HydrophobicContact CD1-CE2 3.93Å; L573-F813 HydrophobicContact CD1-CZ 3.57Å; L573-F813 HydrophobicContact CG-CE2 4Å; L573-F813 HydrophobicContact CG-CZ 3.68Å; P804-F813 WeakPolarHBondContact CD-O 3.46Å; M810-F813 WeakPolarHBondContact O-CB 3.2Å; M810-F813 WeakPolarHBondContact O-CG 3.48Å; M810-F813 PolarHBondContact O-N 3.48Å; Y811-F813 WeakPolarHBondContact O-CD1 3.49Å; Y811-F813 PolarHBondContact O-N 2.89Å; F813-A817 HydrophobicContact CB-CB 3.86Å; F813-A817 HydrophobicContact CD1-CB 4.25Å; F813-A817 HydrophobicContact CD2-CB 4.3Å; F813-A817 HydrophobicContact CG-CB 3.91Å; F813-I818 HydrophobicContact CB-CG1 3.74Å; F813-I818 HydrophobicContact CD2-CG1 4.43Å
814	S	96.6	Very high	95.6	Very high	24 Å²	24	38 Å²	38	17%	0.168	20%	0.2	C	C	.	.			trans	-67.6	167.7	163.3	67.9	0	0	0	0	109.8	F816 A817 I818	S814-F816 PolarHBondContact O-N 3.41Å; S814-F816 PolarHBondContact OG-N 2.94Å; S814-A817 PolarHBondContact O-N 2.89Å; S814-A817 PolarHBondContact OG-N 2.83Å; S814-A817 VanDerWaalsContact OG-N 3.08Å; S814-I818 WeakPolarHBondContact O-CG1 3.33Å; S814-I818 PolarHBondContact O-N 3.24Å
815	R	96	Very high	95.5	Very high	138 Å²	138	42.8 Å²	42.8	52%	0.521	22%	0.223	S	C	.	.	H	α-helix	trans	-53.6	-44.2	171.2	177.8	172.2	-179	143.2	-0.9	111.5	I818 E819	R815-I818 WeakPolarHBondContact O-CB 3.48Å; R815-I818 PolarHBondContact O-N 3.06Å; R815-E819 WeakPolarHBondContact CG-OE1 3.29Å; R815-E819 IonicContact NE-OE1 3.46Å; R815-E819 PolarHBondContact NE-OE1 2.85Å; R815-E819 WeakPolarHBondContact O-CG 3.19Å; R815-E819 PolarHBondContact O-N 3.29Å
816	F	97.6	Very high	95.6	Very high	9 Å²	9	36.9 Å²	36.9	4%	0.039	19%	0.189	C	C	.	.	H	α-helix	trans	-61.9	-46.6	178.7	-171.9	-100.7	0	0	0	111.9	V580 E581 T584 R636 M640 W642 S814 I818 E819 L820	V580-F816 HydrophobicContact CG1-CE1 4.2Å; V580-F816 HydrophobicContact CG1-CZ 4.11Å; E581-F816 HydrophobicContact CG-CD1 4.31Å; E581-F816 HydrophobicContact CG-CE1 4.47Å; T584-F816 HydrophobicContact CG2-CB 4.01Å; T584-F816 HydrophobicContact CG2-CG 4.35Å; T584-F816 VanDerWaalsContact OG1-CD1 3.3Å; T584-F816 WeakPolarHBondContact OG1-CD1 3.34Å; R636-F816 VanDerWaalsContact NH1-CD2 3.3Å; M640-F816 HydrophobicContact CE-CD2 3.93Å; M640-F816 HydrophobicContact CE-CE2 4.09Å; M640-F816 HydrophobicContact SD-CD2 4.48Å; M640-F816 HydrophobicContact SD-CE2 4.04Å; W642-F816 HydrophobicContact CH2-CE2 4.29Å; W642-F816 AromaticContact CH2-CZ 3.86Å; W642-F816 HydrophobicContact CH2-CZ 3.86Å; W642-F816 HydrophobicContact CZ2-CE2 4.04Å; W642-F816 AromaticContact CZ2-CZ 3.95Å; W642-F816 HydrophobicContact CZ2-CZ 3.95Å; S814-F816 PolarHBondContact O-N 3.41Å; S814-F816 PolarHBondContact OG-N 2.94Å; F816-I818 VanDerWaalsContact C-N 3.32Å; F816-I818 PolarHBondContact O-N 2.92Å; F816-E819 WeakPolarHBondContact O-CB 3.47Å; F816-E819 PolarHBondContact O-N 2.88Å; F816-L820 HydrophobicContact CD1-CD1 4.43Å; F816-L820 HydrophobicContact CD1-CD2 4.23Å; F816-L820 HydrophobicContact CD1-CG 4.41Å; F816-L820 HydrophobicContact CE1-CD1 4.33Å; F816-L820 HydrophobicContact CE1-CD2 3.69Å; F816-L820 HydrophobicContact CE1-CG 4.31Å; F816-L820 HydrophobicContact CZ-CD2 4Å; F816-L820 WeakPolarHBondContact O-CG 3.25Å; F816-L820 PolarHBondContact O-N 3.5Å
817	A	97.8	Very high	95.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.2	-35	178.8	0	0	0	0	0	113	L573 F813 S814 E819 L820	L573-A817 HydrophobicContact CD1-CB 4.41Å; F813-A817 HydrophobicContact CB-CB 3.86Å; F813-A817 HydrophobicContact CD1-CB 4.25Å; F813-A817 HydrophobicContact CD2-CB 4.3Å; F813-A817 HydrophobicContact CG-CB 3.91Å; S814-A817 PolarHBondContact O-N 2.89Å; S814-A817 PolarHBondContact OG-N 2.83Å; S814-A817 VanDerWaalsContact OG-N 3.08Å; A817-E819 PolarHBondContact O-N 2.81Å; A817-L820 PolarHBondContact O-N 3.1Å
818	I	97.9	Very high	96	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-57.2	-39.2	171.3	-73	168.9	0	0	0	110.2	R535 I538 P804 M810 F813 S814 R815 F816 L820	R535-I818 HydrophobicContact CG-CG2 4.07Å; R535-I818 PolarHBondContact NE-O 2.88Å; R535-I818 PolarHBondContact NH2-O 3.49Å; I538-I818 HydrophobicContact CG2-CG2 4.33Å; P804-I818 HydrophobicContact CG-CD1 3.89Å; M810-I818 HydrophobicContact CE-CD1 3.6Å; M810-I818 HydrophobicContact SD-CD1 4.18Å; F813-I818 HydrophobicContact CB-CG1 3.74Å; F813-I818 HydrophobicContact CD2-CG1 4.43Å; S814-I818 WeakPolarHBondContact O-CG1 3.33Å; S814-I818 PolarHBondContact O-N 3.24Å; R815-I818 WeakPolarHBondContact O-CB 3.48Å; R815-I818 PolarHBondContact O-N 3.06Å; F816-I818 VanDerWaalsContact C-N 3.32Å; F816-I818 PolarHBondContact O-N 2.92Å; I818-L820 PolarHBondContact O-N 3.48Å
819	E	97.8	Very high	96.3	Very high	13 Å²	13	33.3 Å²	33.3	6%	0.061	17%	0.167	C	C	.	.	H	α-helix	trans	-74.8	-23.9	-175.6	-62.7	167	-178.2	0	0	113.2	R534 R535 R636 R815 F816 A817 N821 E822	R534-E819 HydrophobicContact CB-CB 4.44Å; R534-E819 HydrophobicContact CB-CG 3.77Å; R534-E819 VanDerWaalsContact CD-OE2 3.3Å; R534-E819 WeakPolarHBondContact CD-OE2 3.44Å; R535-E819 WeakPolarHBondContact O-CG 3.32Å; R636-E819 IonicContact CZ-OE2 2.79Å; R636-E819 IonicContact NH1-OE2 3.57Å; R636-E819 PolarHBondContact NH1-OE2 2.76Å; R636-E819 IonicContact NH2-OE2 3.64Å; R636-E819 PolarHBondContact NH2-OE2 2.99Å; R815-E819 WeakPolarHBondContact CG-OE1 3.29Å; R815-E819 IonicContact NE-OE1 3.46Å; R815-E819 PolarHBondContact NE-OE1 2.85Å; R815-E819 WeakPolarHBondContact O-CG 3.19Å; R815-E819 PolarHBondContact O-N 3.29Å; F816-E819 WeakPolarHBondContact O-CB 3.47Å; F816-E819 PolarHBondContact O-N 2.88Å; A817-E819 PolarHBondContact O-N 2.81Å; E819-N821 PolarHBondContact O-N 2.88Å; E819-E822 VanDerWaalsContact O-CB 3.23Å; E819-E822 WeakPolarHBondContact O-CB 3.35Å; E819-E822 PolarHBondContact O-N 3.45Å
820	L	98.1	Very high	96.5	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-29.9	-167.1	-67.9	180	0	0	0	116.2	L573 Q577 V580 E581 Y632 F816 A817 I818	L573-L820 HydrophobicContact CD1-CD1 4.29Å; L573-L820 HydrophobicContact CD2-CB 3.93Å; Q577-L820 HydrophobicContact CB-CD1 4.4Å; Q577-L820 PolarHBondContact NE2-O 2.74Å; Q577-L820 WeakPolarHBondContact O-CD1 3.27Å; V580-L820 HydrophobicContact CG1-CD2 4.03Å; E581-L820 HydrophobicContact CG-CD1 3.44Å; E581-L820 VanDerWaalsContact CG-CD1 3.44Å; Y632-L820 HydrophobicContact CE1-CD2 4.37Å; Y632-L820 WeakPolarHBondContact CE2-O 3.19Å; Y632-L820 WeakPolarHBondContact OH-CA 3.39Å; Y632-L820 VanDerWaalsContact OH-CD2 3.3Å; Y632-L820 WeakPolarHBondContact OH-CD2 3.28Å; Y632-L820 PolarHBondContact OH-O 3Å; F816-L820 HydrophobicContact CD1-CD1 4.43Å; F816-L820 HydrophobicContact CD1-CD2 4.23Å; F816-L820 HydrophobicContact CD1-CG 4.41Å; F816-L820 HydrophobicContact CE1-CD1 4.33Å; F816-L820 HydrophobicContact CE1-CD2 3.69Å; F816-L820 HydrophobicContact CE1-CG 4.31Å; F816-L820 HydrophobicContact CZ-CD2 4Å; F816-L820 WeakPolarHBondContact O-CG 3.25Å; F816-L820 PolarHBondContact O-N 3.5Å; A817-L820 PolarHBondContact O-N 3.1Å; I818-L820 PolarHBondContact O-N 3.48Å
821	N	97.6	Very high	96.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	11.3	-179.3	-159.4	47.8	0	0	0	113.6	L573 Q577 E819 M823 Q838 R839 E842	L573-N821 HydrophobicContact CD2-CB 3.79Å; Q577-N821 PolarHBondContact NE2-OD1 3.13Å; Q577-N821 VanDerWaalsContact NE2-OD1 3.11Å; E819-N821 PolarHBondContact O-N 2.88Å; N821-M823 PolarHBondContact O-N 3.04Å; N821-Q838 PolarHBondContact OD1-NE2 3.08Å; N821-R839 PolarHBondContact O-NH1 3.34Å; N821-R839 PolarHBondContact O-NH2 3.31Å; N821-E842 PolarHBondContact ND2-OE1 3.29Å; N821-E842 PolarHBondContact ND2-OE2 3.39Å; N821-E842 VanDerWaalsContact ND2-OE2 3.13Å
822	E	96.8	Very high	97	Very high	45 Å²	45	29.4 Å²	29.4	21%	0.21	15%	0.149	C	C	.	.			trans	-63	127.1	170.4	-171.7	168.2	-172.8	0	0	109.9	R534 R535 E819 R833	R534-E822 WeakPolarHBondContact CA-OE2 3.3Å; R535-E822 HydrophobicContact CG-CB 4.12Å; R535-E822 HydrophobicContact CG-CG 4.23Å; R535-E822 WeakPolarHBondContact CG-OE2 3.41Å; R535-E822 PolarHBondContact N-OE1 2.89Å; R535-E822 PolarHBondContact N-OE2 2.98Å; E819-E822 VanDerWaalsContact O-CB 3.23Å; E819-E822 WeakPolarHBondContact O-CB 3.35Å; E819-E822 PolarHBondContact O-N 3.45Å; E822-R833 WeakPolarHBondContact O-CD 3.46Å
823	M	95.6	Very high	97.1	Very high	100 Å²	100	26.1 Å²	26.1	49%	0.493	13%	0.133	S	C	.	.			trans	-63.7	139.7	178.3	-79.5	-60.1	-65.2	0	0	110.8	N821 R833 R834 R839	N821-M823 PolarHBondContact O-N 3.04Å; M823-R833 HydrophobicContact SD-CB 3.76Å; M823-R833 VanDerWaalsContact SD-O 3.35Å; M823-R834 HydrophobicContact CE-CG 4.46Å; M823-R839 PolarHBondContact SD-NH2 3.41Å
824	E	94.5	Very high	97.2	Very high	18 Å²	18	31.8 Å²	31.8	8%	0.084	16%	0.155	C	C	.	.			trans	-128.6	146.7	174.8	-68.5	-171.4	-147.6	0	0	110.9	R532 V827 R833	R532-E824 IonicContact CZ-OE2 2.69Å; R532-E824 IonicContact NH1-OE1 3.11Å; R532-E824 PolarHBondContact NH1-OE1 2.83Å; R532-E824 VanDerWaalsContact NH1-OE1 3.09Å; R532-E824 IonicContact NH1-OE2 2.93Å; R532-E824 PolarHBondContact NH1-OE2 2.96Å; R532-E824 IonicContact NH2-OE2 3.27Å; R532-E824 PolarHBondContact NH2-OE2 3.44Å; E824-V827 HydrophobicContact CB-CG1 3.71Å; E824-R833 VanDerWaalsContact CG-NH1 3.28Å; E824-R833 IonicContact OE1-NH1 2.88Å; E824-R833 PolarHBondContact OE1-NH1 2.84Å; E824-R833 IonicContact OE2-NH1 3.28Å
825	D	93.5	Very high	97.2	Very high	126 Å²	126	30.8 Å²	30.8	67%	0.674	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	145.7	176.5	-64	-33.5	0	0	0	111	N524 V827	N524-D825 PolarHBondContact ND2-OD2 2.57Å; N524-D825 VanDerWaalsContact ND2-OD2 3.16Å; D825-V827 PolarHBondContact O-N 2.82Å
826	G	95.7	Very high	97.3	Very high	18 Å²	18	25.8 Å²	25.8	19%	0.186	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	13.6	170.9	0	0	0	0	0	115.4	Q911 W913	G826-Q911 VanDerWaalsContact CA-OE1 3.26Å; G826-Q911 PolarHBondContact O-NE2 3.37Å; G826-W913 VanDerWaalsContact O-CZ2 3.27Å; G826-W913 WeakPolarHBondContact O-CZ2 3.37Å
827	V	97.7	Very high	97.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.13	C	C	.	.			trans	-71.5	151.3	171.2	-54.6	0	0	0	0	111	E633 E824 D825 D831 R833 R834	E633-V827 HydrophobicContact CG-CG1 4.29Å; E824-V827 HydrophobicContact CB-CG1 3.71Å; D825-V827 PolarHBondContact O-N 2.82Å; V827-D831 HydrophobicContact CB-CB 3.99Å; V827-D831 HydrophobicContact CG2-CB 3.83Å; V827-R833 VanDerWaalsContact CG1-NH2 3.34Å; V827-R834 HydrophobicContact CG2-CG 4.45Å; V827-R834 PolarHBondContact O-NE 3.01Å; V827-R834 PolarHBondContact O-NH2 2.79Å
828	A	98	Very high	97.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.131	C	C	.	.			trans	-51.8	149.4	178.7	0	0	0	0	0	112.6	T830 D831 R834 Y904 W913	A828-T830 PolarHBondContact O-N 2.92Å; A828-D831 WeakPolarHBondContact O-CB 3.08Å; A828-D831 PolarHBondContact O-N 3.3Å; A828-R834 WeakPolarHBondContact O-CD 3.39Å; A828-R834 PolarHBondContact O-NE 2.81Å; A828-Y904 HydrophobicContact CB-CE2 4.23Å; A828-W913 HydrophobicContact CB-CD2 4.19Å; A828-W913 HydrophobicContact CB-CE3 3.8Å; A828-W913 HydrophobicContact CB-CH2 3.98Å; A828-W913 HydrophobicContact CB-CZ2 4.38Å; A828-W913 HydrophobicContact CB-CZ3 3.7Å
829	P	98.2	Very high	97.1	Very high	52 Å²	52	27.5 Å²	27.5	34%	0.338	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.9	176.2	25.4	-34.4	0	0	0	112.9	W913 C916 Y920	P829-W913 HydrophobicContact CG-CB 4.01Å; P829-W913 HydrophobicContact CG-CG 4.41Å; P829-C916 HydrophobicContact CG-CB 3.63Å; P829-Y920 WeakPolarHBondContact O-CD2 3.36Å; P829-Y920 WeakPolarHBondContact O-CE2 3.42Å
830	T	98.3	Very high	97	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-0.1	176.2	49	0	0	0	0	114.1	T631 A828 C916 P917 I919 Y920	T631-T830 WeakPolarHBondContact CG2-OG1 3.49Å; T631-T830 PolarHBondContact N-O 3.41Å; T631-T830 VanDerWaalsContact OG1-C 3.28Å; T631-T830 WeakPolarHBondContact OG1-CB 3.22Å; T631-T830 PolarHBondContact OG1-O 2.89Å; T631-T830 PolarHBondContact OG1-OG1 3.23Å; A828-T830 PolarHBondContact O-N 2.92Å; T830-C916 HydrophobicContact CG2-CB 4.04Å; T830-P917 HydrophobicContact CG2-CG 4.09Å; T830-P917 VanDerWaalsContact CG2-O 3.23Å; T830-P917 WeakPolarHBondContact CG2-O 3.42Å; T830-I919 HydrophobicContact CG2-CD1 3.81Å; T830-I919 HydrophobicContact CG2-CG1 4.02Å; T830-I919 HydrophobicContact CG2-CG2 4.46Å; T830-Y920 PolarHBondContact O-OH 3.16Å
831	D	98.6	Very high	96.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-63.7	137.2	-175.6	-172.5	-80.9	0	0	0	112.6	T631 E633 V827 A828 R833 R834 Y920	T631-D831 CarbonylContact O-C 3.54Å; T631-D831 WeakPolarHBondContact O-CA 3.31Å; T631-D831 PolarHBondContact OG1-N 3.04Å; E633-D831 PolarHBondContact N-OD2 2.8Å; V827-D831 HydrophobicContact CB-CB 3.99Å; V827-D831 HydrophobicContact CG2-CB 3.83Å; A828-D831 WeakPolarHBondContact O-CB 3.08Å; A828-D831 PolarHBondContact O-N 3.3Å; D831-R833 PolarHBondContact O-N 3.42Å; D831-R833 VanDerWaalsContact OD1-CB 3.27Å; D831-R833 WeakPolarHBondContact OD1-CB 3.32Å; D831-R833 WeakPolarHBondContact OD1-CG 3.45Å; D831-R833 IonicContact OD1-CZ 3.1Å; D831-R833 PolarHBondContact OD1-N 3.34Å; D831-R833 IonicContact OD1-NE 2.68Å; D831-R833 PolarHBondContact OD1-NE 3.44Å; D831-R833 IonicContact OD1-NH2 3.32Å; D831-R833 PolarHBondContact OD1-NH2 2.92Å; D831-R833 IonicContact OD2-CZ 3.09Å; D831-R833 IonicContact OD2-NE 3.74Å; D831-R833 IonicContact OD2-NH2 3.82Å; D831-R833 PolarHBondContact OD2-NH2 3.24Å; D831-R834 WeakPolarHBondContact O-CB 3.23Å; D831-R834 PolarHBondContact O-N 2.87Å; D831-Y920 VanDerWaalsContact C-OH 3.28Å; D831-Y920 WeakPolarHBondContact O-CE2 3.42Å; D831-Y920 PolarHBondContact O-OH 2.96Å
832	S	98.6	Very high	96.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-52	-30.9	-179.8	-67.6	0	0	0	0	113.7	S574 E630 T631 R834 R835 Y920	S574-S832 WeakPolarHBondContact OG-CB 3.18Å; S574-S832 PolarHBondContact OG-OG 2.92Å; E630-S832 WeakPolarHBondContact OE1-CB 3.41Å; E630-S832 PolarHBondContact OE1-OG 2.93Å; T631-S832 PolarHBondContact O-N 2.6Å; T631-S832 PolarHBondContact O-OG 2.79Å; S832-R834 PolarHBondContact O-N 3.11Å; S832-R835 WeakPolarHBondContact O-CB 3.44Å; S832-R835 PolarHBondContact O-N 3.4Å; S832-R835 VanDerWaalsContact O-N 3.17Å; S832-Y920 WeakPolarHBondContact CA-OH 3.27Å
833	R	98	Very high	96.6	Very high	3 Å²	3	31.4 Å²	31.4	1%	0.011	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-70	-20.8	-179.8	-69.3	165.9	-76.8	-160.1	-6	113.6	Y632 E633 E822 M823 E824 V827 D831 R835 R839	Y632-R833 HydrophobicContact CE2-CG 4.32Å; E633-R833 PolarHBondContact O-NH2 3.45Å; E633-R833 IonicContact OE1-NH2 2.98Å; E822-R833 WeakPolarHBondContact O-CD 3.46Å; M823-R833 HydrophobicContact SD-CB 3.76Å; M823-R833 VanDerWaalsContact SD-O 3.35Å; E824-R833 VanDerWaalsContact CG-NH1 3.28Å; E824-R833 IonicContact OE1-NH1 2.88Å; E824-R833 PolarHBondContact OE1-NH1 2.84Å; E824-R833 IonicContact OE2-NH1 3.28Å; V827-R833 VanDerWaalsContact CG1-NH2 3.34Å; D831-R833 PolarHBondContact O-N 3.42Å; D831-R833 VanDerWaalsContact OD1-CB 3.27Å; D831-R833 WeakPolarHBondContact OD1-CB 3.32Å; D831-R833 WeakPolarHBondContact OD1-CG 3.45Å; D831-R833 IonicContact OD1-CZ 3.1Å; D831-R833 PolarHBondContact OD1-N 3.34Å; D831-R833 IonicContact OD1-NE 2.68Å; D831-R833 PolarHBondContact OD1-NE 3.44Å; D831-R833 IonicContact OD1-NH2 3.32Å; D831-R833 PolarHBondContact OD1-NH2 2.92Å; D831-R833 IonicContact OD2-CZ 3.09Å; D831-R833 IonicContact OD2-NE 3.74Å; D831-R833 IonicContact OD2-NH2 3.82Å; D831-R833 PolarHBondContact OD2-NH2 3.24Å; R833-R835 VanDerWaalsContact C-N 3.33Å; R833-R839 PolarHBondContact O-NH2 3.29Å
834	R	97.8	Very high	96.4	Very high	118 Å²	118	28.1 Å²	28.1	45%	0.445	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-85.4	-6.7	175.6	-65.1	-177.6	178.9	-107	3.3	112.9	M823 V827 A828 D831 S832 P836 Y920	M823-R834 HydrophobicContact CE-CG 4.46Å; V827-R834 HydrophobicContact CG2-CG 4.45Å; V827-R834 PolarHBondContact O-NE 3.01Å; V827-R834 PolarHBondContact O-NH2 2.79Å; A828-R834 WeakPolarHBondContact O-CD 3.39Å; A828-R834 PolarHBondContact O-NE 2.81Å; D831-R834 WeakPolarHBondContact O-CB 3.23Å; D831-R834 PolarHBondContact O-N 2.87Å; S832-R834 PolarHBondContact O-N 3.11Å; R834-P836 WeakPolarHBondContact O-CD 3.49Å; R834-Y920 HydrophobicContact CB-CD2 4.24Å; R834-Y920 HydrophobicContact CB-CE2 3.84Å
835	R	97.6	Very high	96.3	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.015	16%	0.163	C	C	.	.			trans	-65.4	117.7	-179.3	-178.8	164.9	176.4	164	-2.4	111.4	N625 E630 S832 R833 D837 Q838 R839 L856 Y920	N625-R835 PolarHBondContact O-NH1 2.91Å; E630-R835 IonicContact OE2-CZ 3.41Å; E630-R835 IonicContact OE2-NH1 2.75Å; E630-R835 PolarHBondContact OE2-NH1 2.91Å; S832-R835 WeakPolarHBondContact O-CB 3.44Å; S832-R835 PolarHBondContact O-N 3.4Å; S832-R835 VanDerWaalsContact O-N 3.17Å; R833-R835 VanDerWaalsContact C-N 3.33Å; R835-D837 WeakPolarHBondContact CD-OD1 3.23Å; R835-D837 WeakPolarHBondContact CG-OD1 3.38Å; R835-D837 IonicContact CZ-OD1 3.89Å; R835-D837 IonicContact CZ-OD2 2.62Å; R835-D837 IonicContact NE-OD1 3.05Å; R835-D837 PolarHBondContact NE-OD1 3.49Å; R835-D837 IonicContact NE-OD2 3.47Å; R835-D837 PolarHBondContact NE-OD2 3.34Å; R835-D837 IonicContact NH2-OD1 2.76Å; R835-D837 IonicContact NH2-OD2 3.68Å; R835-D837 PolarHBondContact NH2-OD2 3Å; R835-Q838 HydrophobicContact CB-CB 4.17Å; R835-Q838 HydrophobicContact CG-CB 4.01Å; R835-R839 PolarHBondContact O-N 3.08Å; R835-R839 VanDerWaalsContact O-N 3.08Å; R835-L856 HydrophobicContact CG-CD1 4.47Å; R835-Y920 HydrophobicContact CB-CD1 4.42Å; R835-Y920 HydrophobicContact CB-CE1 3.64Å; R835-Y920 HydrophobicContact CG-CD1 4.38Å; R835-Y920 HydrophobicContact CG-CE1 3.78Å
836	P	97.5	Very high	96.1	Very high	32 Å²	32	25.7 Å²	25.7	21%	0.208	14%	0.135	C	C	.	.	H	α-helix	trans	-71.4	-41.5	-167.4	24.5	-33	0	0	0	114.2	R834 Q838 R839 L840 E852 L856	R834-P836 WeakPolarHBondContact O-CD 3.49Å; P836-Q838 PolarHBondContact O-N 2.79Å; P836-R839 PolarHBondContact O-N 3.49Å; P836-L840 WeakPolarHBondContact O-CB 3.31Å; P836-L840 VanDerWaalsContact O-CG 3.28Å; P836-L840 WeakPolarHBondContact O-CG 3.36Å; P836-L840 PolarHBondContact O-N 3.39Å; P836-E852 HydrophobicContact CB-CG 4.38Å; P836-L856 HydrophobicContact CG-CD1 4Å
837	D	96.5	Very high	95.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.3	-43.1	177	57.1	-26.5	0	0	0	111.9	F624 R835 M841 A849 E852 K853 L856	F624-D837 HydrophobicContact CE1-CB 4.28Å; F624-D837 WeakPolarHBondContact CE1-OD2 3.42Å; R835-D837 WeakPolarHBondContact CD-OD1 3.23Å; R835-D837 WeakPolarHBondContact CG-OD1 3.38Å; R835-D837 IonicContact CZ-OD1 3.89Å; R835-D837 IonicContact CZ-OD2 2.62Å; R835-D837 IonicContact NE-OD1 3.05Å; R835-D837 PolarHBondContact NE-OD1 3.49Å; R835-D837 IonicContact NE-OD2 3.47Å; R835-D837 PolarHBondContact NE-OD2 3.34Å; R835-D837 IonicContact NH2-OD1 2.76Å; R835-D837 IonicContact NH2-OD2 3.68Å; R835-D837 PolarHBondContact NH2-OD2 3Å; D837-M841 WeakPolarHBondContact O-CB 3.43Å; D837-M841 PolarHBondContact O-N 3.05Å; D837-A849 WeakPolarHBondContact CB-O 3.43Å; D837-A849 VanDerWaalsContact O-CB 3.32Å; D837-A849 WeakPolarHBondContact O-CB 3.49Å; D837-E852 HydrophobicContact CB-CB 3.9Å; D837-K853 HydrophobicContact CB-CB 3.89Å; D837-L856 HydrophobicContact CB-CD1 4.26Å; D837-L856 WeakPolarHBondContact OD1-CD1 3.21Å
838	Q	96.6	Very high	95.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-63.3	-43.4	174.9	-179	175.6	-57.5	0	0	112.4	F624 N821 R835 P836 M841 E842	F624-Q838 HydrophobicContact CD2-CB 4.34Å; F624-Q838 HydrophobicContact CD2-CG 4.26Å; F624-Q838 HydrophobicContact CE2-CB 4.35Å; F624-Q838 HydrophobicContact CE2-CG 4.38Å; N821-Q838 PolarHBondContact OD1-NE2 3.08Å; R835-Q838 HydrophobicContact CB-CB 4.17Å; R835-Q838 HydrophobicContact CG-CB 4.01Å; P836-Q838 PolarHBondContact O-N 2.79Å; Q838-M841 PolarHBondContact O-N 3.01Å; Q838-E842 PolarHBondContact O-N 3.46Å
839	R	96.2	Very high	95.5	Very high	45 Å²	45	36.5 Å²	36.5	17%	0.17	19%	0.185	C	C	.	.	H	α-helix	trans	-65.2	-45.1	179.8	-176.5	59.1	61.2	-177.5	2.3	112	N821 M823 R833 R835 P836 M841 E842 Q843	N821-R839 PolarHBondContact O-NH1 3.34Å; N821-R839 PolarHBondContact O-NH2 3.31Å; M823-R839 PolarHBondContact SD-NH2 3.41Å; R833-R839 PolarHBondContact O-NH2 3.29Å; R835-R839 PolarHBondContact O-N 3.08Å; R835-R839 VanDerWaalsContact O-N 3.08Å; P836-R839 PolarHBondContact O-N 3.49Å; R839-M841 VanDerWaalsContact C-N 3.28Å; R839-M841 PolarHBondContact O-N 3.23Å; R839-E842 IonicContact CZ-OE2 2.62Å; R839-E842 IonicContact NH1-OE2 2.76Å; R839-E842 PolarHBondContact NH1-OE2 2.77Å; R839-E842 PolarHBondContact O-N 3.29Å; R839-Q843 WeakPolarHBondContact O-CG 3.3Å; R839-Q843 PolarHBondContact O-N 3.35Å; R839-Q843 VanDerWaalsContact O-N 3.13Å
840	L	96.4	Very high	95.1	Very high	28 Å²	28	35.8 Å²	35.8	15%	0.147	18%	0.179	C	C	.	.	H	α-helix	trans	-61.4	-39	176.4	-71.5	166.5	0	0	0	111.2	P836 Q843 G844 L845 Q848 A849 E852	P836-L840 WeakPolarHBondContact O-CB 3.31Å; P836-L840 VanDerWaalsContact O-CG 3.28Å; P836-L840 WeakPolarHBondContact O-CG 3.36Å; P836-L840 PolarHBondContact O-N 3.39Å; L840-Q843 PolarHBondContact O-N 2.65Å; L840-G844 PolarHBondContact O-N 2.71Å; L840-L845 HydrophobicContact CB-CB 4.35Å; L840-L845 HydrophobicContact CD2-CB 4.19Å; L840-L845 HydrophobicContact CD2-CD1 3.78Å; L840-L845 PolarHBondContact O-N 3.35Å; L840-Q848 HydrophobicContact CD1-CB 3.93Å; L840-Q848 HydrophobicContact CD2-CB 4.24Å; L840-A849 HydrophobicContact CB-CB 3.84Å; L840-E852 HydrophobicContact CD1-CB 4.14Å; L840-E852 HydrophobicContact CD1-CG 3.59Å
841	M	94.3	Very high	94.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.6	-45.6	175.4	179.3	173.5	176	0	0	112.4	V567 N570 F624 Y811 D837 Q838 R839 Q843 G844 W846 A849	V567-M841 HydrophobicContact CB-SD 4.13Å; V567-M841 VanDerWaalsContact O-CE 3.22Å; V567-M841 WeakPolarHBondContact O-CE 3.45Å; V567-M841 VanDerWaalsContact O-SD 3.38Å; N570-M841 VanDerWaalsContact C-CE 3.46Å; N570-M841 HydrophobicContact CB-CE 3.96Å; N570-M841 HydrophobicContact CB-SD 3.84Å; N570-M841 WeakPolarHBondContact O-CE 3.22Å; F624-M841 HydrophobicContact CE2-CB 4.34Å; F624-M841 HydrophobicContact CE2-CG 4.42Å; F624-M841 HydrophobicContact CE2-SD 3.35Å; F624-M841 WeakPolarHBondContact CE2-SD 3.48Å; F624-M841 HydrophobicContact CZ-CB 4.03Å; F624-M841 HydrophobicContact CZ-CG 4.37Å; F624-M841 HydrophobicContact CZ-SD 3.44Å; F624-M841 WeakPolarHBondContact CZ-SD 3.44Å; Y811-M841 HydrophobicContact CE1-CE 3.99Å; D837-M841 WeakPolarHBondContact O-CB 3.43Å; D837-M841 PolarHBondContact O-N 3.05Å; Q838-M841 PolarHBondContact O-N 3.01Å; R839-M841 VanDerWaalsContact C-N 3.28Å; R839-M841 PolarHBondContact O-N 3.23Å; M841-Q843 PolarHBondContact O-N 3.41Å; M841-G844 PolarHBondContact O-N 2.9Å; M841-W846 PolarHBondContact O-NE1 3.31Å; M841-A849 HydrophobicContact CB-CB 4.01Å
842	E	95.1	Very high	94.8	Very high	9 Å²	9	42.6 Å²	42.6	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-58.9	-34.6	177	-166	-179.6	-127.9	0	0	111.8	R535 P539 P572 N821 Q838 R839 G844	R535-E842 IonicContact CZ-OE1 3.47Å; R535-E842 VanDerWaalsContact CZ-OE1 3.3Å; R535-E842 IonicContact NH1-OE1 2.7Å; R535-E842 PolarHBondContact NH1-OE1 3.47Å; R535-E842 IonicContact NH1-OE2 3.22Å; R535-E842 PolarHBondContact NH1-OE2 2.77Å; R535-E842 IonicContact NH2-OE1 3.33Å; R535-E842 PolarHBondContact NH2-OE1 3.12Å; P539-E842 WeakPolarHBondContact CB-O 3.44Å; P539-E842 WeakPolarHBondContact CG-O 3.3Å; P572-E842 HydrophobicContact CB-CB 3.72Å; P572-E842 HydrophobicContact CB-CG 4.08Å; P572-E842 HydrophobicContact CG-CB 4.4Å; P572-E842 HydrophobicContact CG-CG 4.28Å; N821-E842 PolarHBondContact ND2-OE1 3.29Å; N821-E842 PolarHBondContact ND2-OE2 3.39Å; N821-E842 VanDerWaalsContact ND2-OE2 3.13Å; Q838-E842 PolarHBondContact O-N 3.46Å; R839-E842 IonicContact CZ-OE2 2.62Å; R839-E842 IonicContact NH1-OE2 2.76Å; R839-E842 PolarHBondContact NH1-OE2 2.77Å; R839-E842 PolarHBondContact O-N 3.29Å; E842-G844 PolarHBondContact O-N 2.98Å
843	Q	94.3	Very high	94.6	Very high	106 Å²	106	43.6 Å²	43.6	50%	0.495	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-3.2	177	-68.2	172.5	-11.2	0	0	113.9	R839 L840 M841 L845	R839-Q843 WeakPolarHBondContact O-CG 3.3Å; R839-Q843 PolarHBondContact O-N 3.35Å; R839-Q843 VanDerWaalsContact O-N 3.13Å; L840-Q843 PolarHBondContact O-N 2.65Å; M841-Q843 PolarHBondContact O-N 3.41Å; Q843-L845 VanDerWaalsContact C-N 3.34Å; Q843-L845 HydrophobicContact CB-CD1 4.44Å; Q843-L845 HydrophobicContact CB-CG 4.35Å
844	G	91.3	Very high	94.3	Very high	31 Å²	31	50.8 Å²	50.8	32%	0.32	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	7.4	-177.8	0	0	0	0	0	114.7	L840 M841 E842 W846	L840-G844 PolarHBondContact O-N 2.71Å; M841-G844 PolarHBondContact O-N 2.9Å; E842-G844 PolarHBondContact O-N 2.98Å; G844-W846 VanDerWaalsContact C-N 3.32Å; G844-W846 PolarHBondContact O-N 3.41Å; G844-W846 VanDerWaalsContact O-N 3.14Å
845	L	92.5	Very high	94.2	Very high	71 Å²	71	49.7 Å²	49.7	37%	0.372	24%	0.238	S	C	.	.			trans	-88.4	62.8	-179.9	-59.8	176.2	0	0	0	111.2	L840 Q843 D847 Q848 A849	L840-L845 HydrophobicContact CB-CB 4.35Å; L840-L845 HydrophobicContact CD2-CB 4.19Å; L840-L845 HydrophobicContact CD2-CD1 3.78Å; L840-L845 PolarHBondContact O-N 3.35Å; Q843-L845 VanDerWaalsContact C-N 3.34Å; Q843-L845 HydrophobicContact CB-CD1 4.44Å; Q843-L845 HydrophobicContact CB-CG 4.35Å; L845-D847 PolarHBondContact O-N 2.95Å; L845-Q848 HydrophobicContact CB-CB 4.38Å; L845-Q848 PolarHBondContact O-N 2.91Å; L845-A849 WeakPolarHBondContact O-CB 3.45Å; L845-A849 PolarHBondContact O-N 2.92Å
846	W	89.2	Confident	94.1	Very high	21 Å²	21	49.5 Å²	49.5	8%	0.08	24%	0.237	C	C	.	.	H	α-helix	trans	-66.6	-34.8	-166.3	-70.7	11.2	0	0	0	115	P542 I544 V567 N568 M841 G844 A849 N850	P542-W846 HydrophobicContact CB-CH2 4.11Å; P542-W846 HydrophobicContact CB-CZ2 4.01Å; P542-W846 HydrophobicContact CB-CZ3 4.44Å; P542-W846 HydrophobicContact CG-CD2 4.35Å; P542-W846 HydrophobicContact CG-CZ2 3.92Å; P542-W846 WeakPolarHBondContact O-CH2 3.13Å; I544-W846 HydrophobicContact CB-CZ3 4.01Å; I544-W846 HydrophobicContact CD1-CE3 3.5Å; I544-W846 HydrophobicContact CD1-CH2 4.44Å; I544-W846 HydrophobicContact CD1-CZ3 3.42Å; I544-W846 VanDerWaalsContact CD1-CZ3 3.42Å; I544-W846 HydrophobicContact CG1-CE3 4.28Å; I544-W846 HydrophobicContact CG1-CH2 4.36Å; I544-W846 HydrophobicContact CG1-CZ3 3.7Å; V567-W846 HydrophobicContact CG2-CB 4.4Å; N568-W846 HydrophobicContact CB-CE3 3.76Å; N568-W846 HydrophobicContact CB-CH2 4.34Å; N568-W846 HydrophobicContact CB-CZ3 3.5Å; N568-W846 VanDerWaalsContact CB-CZ3 3.5Å; M841-W846 PolarHBondContact O-NE1 3.31Å; G844-W846 VanDerWaalsContact C-N 3.32Å; G844-W846 PolarHBondContact O-N 3.41Å; G844-W846 VanDerWaalsContact O-N 3.14Å; W846-A849 WeakPolarHBondContact O-CB 3.23Å; W846-A849 PolarHBondContact O-N 2.98Å; W846-N850 PolarHBondContact O-N 3.39Å; W846-N850 PolarHBondContact O-ND2 2.75Å; W846-N850 VanDerWaalsContact O-ND2 3.12Å
847	D	89.5	Confident	93.8	Very high	138 Å²	138	50.7 Å²	50.7	74%	0.738	24%	0.24	S	C	*	.	H	α-helix	trans	-66.1	-42.7	176.9	-65.7	-30.1	0	0	0	111.2	L845 A849 N850 E851	L845-D847 PolarHBondContact O-N 2.95Å; D847-A849 VanDerWaalsContact C-N 3.33Å; D847-N850 PolarHBondContact O-N 3.27Å; D847-E851 PolarHBondContact O-N 2.76Å
848	Q	94.9	Very high	93.6	Very high	108 Å²	108	52.1 Å²	52.1	51%	0.505	25%	0.251	S	S	.	.	H	α-helix	trans	-66.3	-38.3	175.1	-58.9	178.9	26.2	0	0	110.9	L840 L845 E851 E852	L840-Q848 HydrophobicContact CD1-CB 3.93Å; L840-Q848 HydrophobicContact CD2-CB 4.24Å; L845-Q848 HydrophobicContact CB-CB 4.38Å; L845-Q848 PolarHBondContact O-N 2.91Å; Q848-E851 PolarHBondContact O-N 2.54Å; Q848-E852 PolarHBondContact O-N 3.42Å
849	A	93.9	Very high	93.6	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62.1	-41.6	174.3	0	0	0	0	0	112.3	V567 D837 L840 M841 L845 W846 D847 K853	V567-A849 HydrophobicContact CG1-CB 4.48Å; V567-A849 HydrophobicContact CG2-CB 4.23Å; D837-A849 WeakPolarHBondContact CB-O 3.43Å; D837-A849 VanDerWaalsContact O-CB 3.32Å; D837-A849 WeakPolarHBondContact O-CB 3.49Å; L840-A849 HydrophobicContact CB-CB 3.84Å; M841-A849 HydrophobicContact CB-CB 4.01Å; L845-A849 WeakPolarHBondContact O-CB 3.45Å; L845-A849 PolarHBondContact O-N 2.92Å; W846-A849 WeakPolarHBondContact O-CB 3.23Å; W846-A849 PolarHBondContact O-N 2.98Å; D847-A849 VanDerWaalsContact C-N 3.33Å; A849-K853 VanDerWaalsContact O-CB 3.23Å; A849-K853 WeakPolarHBondContact O-CB 3.35Å; A849-K853 PolarHBondContact O-N 3.34Å
850	N	90.1	Very high	93.5	Very high	37 Å²	37	54.2 Å²	54.2	20%	0.198	26%	0.262	C	S	.	.	H	α-helix	trans	-63.9	-39.3	174.7	-80.7	-53.5	0	0	0	111.8	V567 N568 W846 D847 R854	V567-N850 WeakPolarHBondContact CG1-OD1 3.49Å; V567-N850 HydrophobicContact CG2-CB 4.47Å; V567-N850 VanDerWaalsContact CG2-CG 3.4Å; V567-N850 WeakPolarHBondContact CG2-ND2 3.37Å; V567-N850 WeakPolarHBondContact CG2-OD1 3.44Å; V567-N850 PolarHBondContact N-OD1 2.96Å; V567-N850 VanDerWaalsContact N-OD1 3.08Å; N568-N850 PolarHBondContact OD1-ND2 2.93Å; W846-N850 PolarHBondContact O-N 3.39Å; W846-N850 PolarHBondContact O-ND2 2.75Å; W846-N850 VanDerWaalsContact O-ND2 3.12Å; D847-N850 PolarHBondContact O-N 3.27Å; N850-R854 WeakPolarHBondContact O-CG 3.46Å; N850-R854 PolarHBondContact O-N 2.96Å; N850-R854 VanDerWaalsContact O-N 3.08Å
851	E	94.3	Very high	93.2	Very high	96 Å²	96	58.5 Å²	58.5	45%	0.449	28%	0.276	S	S	.	.	H	α-helix	trans	-64.3	-51	175.8	-175.3	55.8	-148.8	0	0	111.9	D847 Q848 K853 R854 R855	D847-E851 PolarHBondContact O-N 2.76Å; Q848-E851 PolarHBondContact O-N 2.54Å; E851-K853 VanDerWaalsContact C-N 3.27Å; E851-K853 PolarHBondContact O-N 2.58Å; E851-R854 WeakPolarHBondContact O-CB 3.34Å; E851-R854 PolarHBondContact O-N 2.83Å; E851-R854 VanDerWaalsContact O-N 3.08Å; E851-R854 IonicContact OE2-CZ 3.7Å; E851-R854 VanDerWaalsContact OE2-CZ 3.3Å; E851-R854 IonicContact OE2-NE 3.81Å; E851-R854 PolarHBondContact OE2-NE 2.97Å; E851-R854 IonicContact OE2-NH2 2.73Å; E851-R854 PolarHBondContact OE2-NH2 3.07Å; E851-R855 PolarHBondContact O-N 3.03Å
852	E	96.5	Very high	93.3	Very high	46 Å²	46	63.6 Å²	63.6	22%	0.215	30%	0.303	C	S	.	.	H	α-helix	trans	-61.1	-37.8	177.8	-80	-60.2	122.8	0	0	112	P836 D837 L840 Q848 R854 R855 L856	P836-E852 HydrophobicContact CB-CG 4.38Å; D837-E852 HydrophobicContact CB-CB 3.9Å; L840-E852 HydrophobicContact CD1-CB 4.14Å; L840-E852 HydrophobicContact CD1-CG 3.59Å; Q848-E852 PolarHBondContact O-N 3.42Å; E852-R854 PolarHBondContact O-N 3.19Å; E852-R855 PolarHBondContact O-N 2.79Å; E852-R855 IonicContact OE1-NE 2.78Å; E852-R855 PolarHBondContact OE1-NE 2.85Å; E852-R855 IonicContact OE2-CZ 2.76Å; E852-R855 VanDerWaalsContact OE2-CZ 3.23Å; E852-R855 IonicContact OE2-NE 2.76Å; E852-R855 PolarHBondContact OE2-NE 3.46Å; E852-R855 IonicContact OE2-NH2 3.69Å; E852-R855 PolarHBondContact OE2-NH2 3.04Å; E852-L856 WeakPolarHBondContact O-CB 3.45Å; E852-L856 VanDerWaalsContact O-CG 3.28Å; E852-L856 WeakPolarHBondContact O-CG 3.42Å; E852-L856 PolarHBondContact O-N 3.09Å
853	K	93.7	Very high	93.2	Very high	22 Å²	22	67.9 Å²	67.9	10%	0.096	32%	0.322	C	S	.	.	H	α-helix	trans	-60.3	-45.7	174.3	179.2	175.4	176	180	0	111.2	I565 V567 D837 A849 E851 R855 L856 E857	I565-K853 PolarHBondContact O-NZ 2.62Å; V567-K853 HydrophobicContact CG1-CB 4.28Å; V567-K853 HydrophobicContact CG1-CD 3.55Å; D837-K853 HydrophobicContact CB-CB 3.89Å; A849-K853 VanDerWaalsContact O-CB 3.23Å; A849-K853 WeakPolarHBondContact O-CB 3.35Å; A849-K853 PolarHBondContact O-N 3.34Å; E851-K853 VanDerWaalsContact C-N 3.27Å; E851-K853 PolarHBondContact O-N 2.58Å; K853-R855 PolarHBondContact O-N 3.38Å; K853-L856 PolarHBondContact O-N 2.89Å; K853-E857 WeakPolarHBondContact CE-OE1 3.41Å; K853-E857 HydrophobicContact CG-CG 4.37Å; K853-E857 WeakPolarHBondContact O-CB 3.37Å; K853-E857 VanDerWaalsContact O-CG 3.31Å; K853-E857 WeakPolarHBondContact O-CG 3.48Å; K853-E857 PolarHBondContact O-N 2.68Å
854	R	91.9	Very high	93.1	Very high	154 Å²	154	64.7 Å²	64.7	58%	0.581	31%	0.305	S	S	*	.	H	α-helix	trans	-61.6	-42.9	176.5	-74.7	-170.5	-67.5	-174	-5.3	111.6	N850 E851 E852 A858	N850-R854 WeakPolarHBondContact O-CG 3.46Å; N850-R854 PolarHBondContact O-N 2.96Å; N850-R854 VanDerWaalsContact O-N 3.08Å; E851-R854 WeakPolarHBondContact O-CB 3.34Å; E851-R854 PolarHBondContact O-N 2.83Å; E851-R854 VanDerWaalsContact O-N 3.08Å; E851-R854 IonicContact OE2-CZ 3.7Å; E851-R854 VanDerWaalsContact OE2-CZ 3.3Å; E851-R854 IonicContact OE2-NE 3.81Å; E851-R854 PolarHBondContact OE2-NE 2.97Å; E851-R854 IonicContact OE2-NH2 2.73Å; E851-R854 PolarHBondContact OE2-NH2 3.07Å; E852-R854 PolarHBondContact O-N 3.19Å; R854-A858 VanDerWaalsContact O-CB 3.23Å; R854-A858 WeakPolarHBondContact O-CB 3.46Å; R854-A858 PolarHBondContact O-N 2.81Å
855	R	96.7	Very high	93.1	Very high	95 Å²	95	68.2 Å²	68.2	36%	0.358	31%	0.313	S	S	.	.	H	α-helix	trans	-59.7	-49.4	177	-172	-172	65.7	71	4.7	111.5	E851 E852 K853 A858 K859 Y920	E851-R855 PolarHBondContact O-N 3.03Å; E852-R855 PolarHBondContact O-N 2.79Å; E852-R855 IonicContact OE1-NE 2.78Å; E852-R855 PolarHBondContact OE1-NE 2.85Å; E852-R855 IonicContact OE2-CZ 2.76Å; E852-R855 VanDerWaalsContact OE2-CZ 3.23Å; E852-R855 IonicContact OE2-NE 2.76Å; E852-R855 PolarHBondContact OE2-NE 3.46Å; E852-R855 IonicContact OE2-NH2 3.69Å; E852-R855 PolarHBondContact OE2-NH2 3.04Å; K853-R855 PolarHBondContact O-N 3.38Å; R855-A858 PolarHBondContact O-N 3.11Å; R855-K859 PolarHBondContact O-N 3.42Å; R855-Y920 VanDerWaalsContact CZ-OXT 3.23Å; R855-Y920 PolarHBondContact NH1-OXT 2.78Å; R855-Y920 PolarHBondContact NH2-OXT 2.98Å
856	L	95.7	Very high	93.3	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63	-46.4	178.5	-71.1	172.3	0	0	0	112.5	L627 R835 P836 D837 E852 K853 A858 K859 Q860 Y920	L627-L856 HydrophobicContact CD1-CB 4.37Å; L627-L856 HydrophobicContact CD1-CD1 4.38Å; L627-L856 HydrophobicContact CD1-CD2 4.11Å; R835-L856 HydrophobicContact CG-CD1 4.47Å; P836-L856 HydrophobicContact CG-CD1 4Å; D837-L856 HydrophobicContact CB-CD1 4.26Å; D837-L856 WeakPolarHBondContact OD1-CD1 3.21Å; E852-L856 WeakPolarHBondContact O-CB 3.45Å; E852-L856 VanDerWaalsContact O-CG 3.28Å; E852-L856 WeakPolarHBondContact O-CG 3.42Å; E852-L856 PolarHBondContact O-N 3.09Å; K853-L856 PolarHBondContact O-N 2.89Å; L856-A858 VanDerWaalsContact C-N 3.31Å; L856-A858 PolarHBondContact O-N 2.92Å; L856-K859 WeakPolarHBondContact O-CB 3.45Å; L856-K859 PolarHBondContact O-N 3.1Å; L856-Q860 WeakPolarHBondContact O-CG 3.25Å; L856-Q860 PolarHBondContact O-N 3.32Å; L856-Y920 HydrophobicContact CD2-CD1 4.16Å; L856-Y920 WeakPolarHBondContact CD2-OXT 3.38Å
857	E	90.9	Very high	93.5	Very high	57 Å²	57	70.8 Å²	70.8	27%	0.266	33%	0.331	S	S	.	.	H	α-helix	trans	-65	-35.3	177.3	-73.2	179.8	177.7	0	0	111.6	K853 R861	K853-E857 WeakPolarHBondContact CE-OE1 3.41Å; K853-E857 HydrophobicContact CG-CG 4.37Å; K853-E857 WeakPolarHBondContact O-CB 3.37Å; K853-E857 VanDerWaalsContact O-CG 3.31Å; K853-E857 WeakPolarHBondContact O-CG 3.48Å; K853-E857 PolarHBondContact O-N 2.68Å; E857-R861 WeakPolarHBondContact O-CB 3.13Å; E857-R861 VanDerWaalsContact O-CG 3.27Å; E857-R861 WeakPolarHBondContact O-CG 3.38Å; E857-R861 PolarHBondContact O-N 3.23Å; E857-R861 PolarHBondContact O-NE 3.33Å
858	A	92.7	Very high	93.7	Very high	29 Å²	29	68.4 Å²	68.4	24%	0.24	32%	0.316	C	S	.	.	H	α-helix	trans	-66.3	-43.5	172.4	0	0	0	0	0	111.9	R854 R855 L856 Q860 R861 N862	R854-A858 VanDerWaalsContact O-CB 3.23Å; R854-A858 WeakPolarHBondContact O-CB 3.46Å; R854-A858 PolarHBondContact O-N 2.81Å; R855-A858 PolarHBondContact O-N 3.11Å; L856-A858 VanDerWaalsContact C-N 3.31Å; L856-A858 PolarHBondContact O-N 2.92Å; A858-Q860 VanDerWaalsContact C-N 3.34Å; A858-Q860 PolarHBondContact O-N 2.99Å; A858-R861 PolarHBondContact O-N 3.17Å; A858-N862 WeakPolarHBondContact O-CB 3.49Å; A858-N862 PolarHBondContact O-N 2.86Å; A858-N862 PolarHBondContact O-ND2 2.92Å
859	K	96.2	Very high	93.7	Very high	66 Å²	66	68.4 Å²	68.4	29%	0.287	31%	0.314	S	S	.	.	H	α-helix	trans	-55.4	-48.2	174.8	-177.6	174.5	177.2	171	0	111.2	R855 L856 N862 K863 D918 Y920	R855-K859 PolarHBondContact O-N 3.42Å; L856-K859 WeakPolarHBondContact O-CB 3.45Å; L856-K859 PolarHBondContact O-N 3.1Å; K859-N862 PolarHBondContact O-N 3.26Å; K859-K863 PolarHBondContact O-N 2.96Å; K859-K863 VanDerWaalsContact O-N 3.1Å; K859-D918 IonicContact NZ-OD1 3.11Å; K859-D918 PolarHBondContact NZ-OD1 3.17Å; K859-D918 IonicContact NZ-OD2 3.23Å; K859-D918 PolarHBondContact NZ-OD2 2.95Å; K859-Y920 PolarHBondContact NZ-O 3.19Å
860	Q	93	Very high	93.8	Very high	24 Å²	24	69.1 Å²	69.1	11%	0.112	32%	0.321	C	S	.	.	H	α-helix	trans	-66.3	-41.4	178.6	-70.6	-76.6	-25.8	0	0	112.9	L627 L856 A858 R864	L627-Q860 HydrophobicContact CD2-CG 4.29Å; L856-Q860 WeakPolarHBondContact O-CG 3.25Å; L856-Q860 PolarHBondContact O-N 3.32Å; A858-Q860 VanDerWaalsContact C-N 3.34Å; A858-Q860 PolarHBondContact O-N 2.99Å; Q860-R864 PolarHBondContact O-N 2.91Å; Q860-R864 VanDerWaalsContact O-N 3.12Å
861	R	91.5	Very high	94	Very high	118 Å²	118	70.1 Å²	70.1	45%	0.445	33%	0.328	S	S	.	.	H	α-helix	trans	-63.5	-44.1	175.8	-78.3	-177	-68.3	160.9	-2.1	112	E857 A858 K863 R864 H865	E857-R861 WeakPolarHBondContact O-CB 3.13Å; E857-R861 VanDerWaalsContact O-CG 3.27Å; E857-R861 WeakPolarHBondContact O-CG 3.38Å; E857-R861 PolarHBondContact O-N 3.23Å; E857-R861 PolarHBondContact O-NE 3.33Å; A858-R861 PolarHBondContact O-N 3.17Å; R861-K863 PolarHBondContact O-N 3.33Å; R861-R864 WeakPolarHBondContact O-CB 3.18Å; R861-R864 PolarHBondContact O-N 3.27Å; R861-H865 PolarHBondContact O-N 2.95Å
862	N	95.1	Very high	94	Very high	107 Å²	107	75 Å²	75	57%	0.572	34%	0.342	S	S	*	.	H	α-helix	trans	-63.8	-43.2	179.5	-69.4	-13.1	0	0	0	111.7	A858 K859 R864 H865 A866	A858-N862 WeakPolarHBondContact O-CB 3.49Å; A858-N862 PolarHBondContact O-N 2.86Å; A858-N862 PolarHBondContact O-ND2 2.92Å; K859-N862 PolarHBondContact O-N 3.26Å; N862-R864 VanDerWaalsContact C-N 3.3Å; N862-R864 PolarHBondContact O-N 3.08Å; N862-H865 PolarHBondContact O-N 2.77Å; N862-A866 WeakPolarHBondContact O-CB 3.43Å; N862-A866 PolarHBondContact O-N 3.13Å
863	K	93.5	Very high	94	Very high	100 Å²	100	77.1 Å²	77.1	44%	0.435	35%	0.352	S	S	.	.	H	α-helix	trans	-58.1	-43.9	174.3	-175.9	178.3	178.5	-178.9	0	111.4	K859 R861 A866 W867 L880	K859-K863 PolarHBondContact O-N 2.96Å; K859-K863 VanDerWaalsContact O-N 3.1Å; R861-K863 PolarHBondContact O-N 3.33Å; K863-A866 PolarHBondContact O-N 3.26Å; K863-W867 WeakPolarHBondContact O-CB 3.47Å; K863-W867 PolarHBondContact O-N 2.95Å; K863-L880 HydrophobicContact CG-CD1 4.4Å
864	R	91.3	Very high	94	Very high	39 Å²	39	79.1 Å²	79.1	15%	0.147	38%	0.379	C	S	.	.	H	α-helix	trans	-64.2	-48.8	177.5	-170.9	-167.5	-41.1	156.1	10.9	112.6	H651 H652 Q860 R861 N862 A866 W867 E868 L880	H651-R864 PolarHBondContact CD2-NH2 3.47Å; H651-R864 VanDerWaalsContact CD2-NH2 3.34Å; H651-R864 PolarHBondContact NE2-NH2 3.05Å; H652-R864 PolarHBondContact NE2-NH1 3.11Å; Q860-R864 PolarHBondContact O-N 2.91Å; Q860-R864 VanDerWaalsContact O-N 3.12Å; R861-R864 WeakPolarHBondContact O-CB 3.18Å; R861-R864 PolarHBondContact O-N 3.27Å; N862-R864 VanDerWaalsContact C-N 3.3Å; N862-R864 PolarHBondContact O-N 3.08Å; R864-A866 VanDerWaalsContact C-N 3.27Å; R864-A866 PolarHBondContact O-N 3.35Å; R864-W867 WeakPolarHBondContact O-CB 3.23Å; R864-W867 PolarHBondContact O-N 3.03Å; R864-W867 VanDerWaalsContact O-N 3.13Å; R864-E868 WeakPolarHBondContact CD-OE1 3.12Å; R864-E868 HydrophobicContact CG-CG 4.29Å; R864-E868 WeakPolarHBondContact CG-OE1 3.37Å; R864-E868 WeakPolarHBondContact O-CG 3.48Å; R864-E868 PolarHBondContact O-N 3.22Å; R864-L880 HydrophobicContact CB-CD2 4.38Å; R864-L880 HydrophobicContact CG-CD2 4.08Å
865	H	93.2	Very high	94.2	Very high	105 Å²	105	78.3 Å²	78.3	49%	0.486	38%	0.381	S	S	.	.	H	α-helix	trans	-60.9	-38.3	178.9	-66.8	169.9	0	0	0	111.9	R861 N862 E868 K869	R861-H865 PolarHBondContact O-N 2.95Å; N862-H865 PolarHBondContact O-N 2.77Å; H865-E868 IonicContact CD2-OE2 3.71Å; H865-K869 VanDerWaalsContact O-CB 3.29Å; H865-K869 WeakPolarHBondContact O-CB 3.42Å; H865-K869 PolarHBondContact O-N 2.77Å
866	A	94.7	Very high	93.9	Very high	63 Å²	63	75.3 Å²	75.3	52%	0.521	37%	0.374	S	S	.	.	H	α-helix	trans	-63.7	-43.4	174.7	0	0	0	0	0	111.7	N862 K863 R864 K869 A870	N862-A866 WeakPolarHBondContact O-CB 3.43Å; N862-A866 PolarHBondContact O-N 3.13Å; K863-A866 PolarHBondContact O-N 3.26Å; R864-A866 VanDerWaalsContact C-N 3.27Å; R864-A866 PolarHBondContact O-N 3.35Å; A866-K869 PolarHBondContact O-N 2.92Å; A866-A870 WeakPolarHBondContact O-CB 3.16Å; A866-A870 PolarHBondContact O-N 2.87Å
867	W	94.1	Very high	93.7	Very high	82 Å²	82	83 Å²	83	31%	0.311	42%	0.415	S	S	.	.	H	α-helix	trans	-64.8	-47.7	175.4	174.3	79.7	0	0	0	112.6	K863 R864 K869 A870 V871 E878 L880	K863-W867 WeakPolarHBondContact O-CB 3.47Å; K863-W867 PolarHBondContact O-N 2.95Å; R864-W867 WeakPolarHBondContact O-CB 3.23Å; R864-W867 PolarHBondContact O-N 3.03Å; R864-W867 VanDerWaalsContact O-N 3.13Å; W867-K869 VanDerWaalsContact C-N 3.27Å; W867-K869 PolarHBondContact O-N 3.03Å; W867-A870 PolarHBondContact O-N 3.47Å; W867-A870 VanDerWaalsContact O-N 3.09Å; W867-V871 HydrophobicContact CD2-CG2 4.12Å; W867-V871 HydrophobicContact CH2-CG2 4.4Å; W867-V871 HydrophobicContact CZ2-CG2 3.8Å; W867-V871 WeakPolarHBondContact O-CG2 3.26Å; W867-V871 PolarHBondContact O-N 2.94Å; W867-E878 PolarHBondContact NE1-O 3.4Å; W867-L880 HydrophobicContact CB-CD1 3.56Å; W867-L880 HydrophobicContact CD2-CB 3.72Å; W867-L880 HydrophobicContact CD2-CD1 3.94Å; W867-L880 HydrophobicContact CD2-CG 4.37Å; W867-L880 HydrophobicContact CE3-CB 3.99Å; W867-L880 HydrophobicContact CE3-CD1 4.19Å; W867-L880 HydrophobicContact CE3-CG 4.47Å; W867-L880 HydrophobicContact CG-CB 4.11Å; W867-L880 HydrophobicContact CG-CD1 3.65Å; W867-L880 HydrophobicContact CG-CG 4.49Å; W867-L880 HydrophobicContact CH2-CB 4.47Å; W867-L880 HydrophobicContact CZ2-CB 4.21Å; W867-L880 HydrophobicContact CZ3-CB 4.37Å
868	E	93.5	Very high	93.7	Very high	88 Å²	88	87.1 Å²	87.1	41%	0.411	43%	0.434	S	S	.	.	H	α-helix	trans	-58.4	-40.2	176.6	-73.3	170	175.9	0	0	111.6	R864 H865 R872	R864-E868 WeakPolarHBondContact CD-OE1 3.12Å; R864-E868 HydrophobicContact CG-CG 4.29Å; R864-E868 WeakPolarHBondContact CG-OE1 3.37Å; R864-E868 WeakPolarHBondContact O-CG 3.48Å; R864-E868 PolarHBondContact O-N 3.22Å; H865-E868 IonicContact CD2-OE2 3.71Å; E868-R872 WeakPolarHBondContact O-CB 3.38Å; E868-R872 PolarHBondContact O-N 2.93Å
869	K	96	Very high	93.6	Very high	108 Å²	108	89.4 Å²	89.4	47%	0.47	45%	0.447	S	S	.	.	H	α-helix	trans	-62.8	-47.4	173.9	-177.9	-176.4	174.1	-172.1	0	111.4	H865 A866 W867 R872 E873	H865-K869 VanDerWaalsContact O-CB 3.29Å; H865-K869 WeakPolarHBondContact O-CB 3.42Å; H865-K869 PolarHBondContact O-N 2.77Å; A866-K869 PolarHBondContact O-N 2.92Å; W867-K869 VanDerWaalsContact C-N 3.27Å; W867-K869 PolarHBondContact O-N 3.03Å; K869-R872 PolarHBondContact O-N 3.06Å; K869-E873 WeakPolarHBondContact CE-OE1 3.46Å; K869-E873 HydrophobicContact CG-CG 4.48Å; K869-E873 WeakPolarHBondContact CG-OE1 3.47Å; K869-E873 IonicContact NZ-OE1 2.79Å; K869-E873 WeakPolarHBondContact O-CB 3.28Å; K869-E873 WeakPolarHBondContact O-CG 3.18Å; K869-E873 PolarHBondContact O-N 3.27Å
870	A	95.8	Very high	93.3	Very high	16 Å²	16	88.1 Å²	88.1	13%	0.132	44%	0.442	C	S	.	.	H	α-helix	trans	-63	-41.7	179.8	0	0	0	0	0	112.2	A866 W867 E873 G874 Q875 T876	A866-A870 WeakPolarHBondContact O-CB 3.16Å; A866-A870 PolarHBondContact O-N 2.87Å; W867-A870 PolarHBondContact O-N 3.47Å; W867-A870 VanDerWaalsContact O-N 3.09Å; A870-E873 CarbonylContact O-C 3.49Å; A870-E873 PolarHBondContact O-N 2.93Å; A870-G874 PolarHBondContact O-N 3.33Å; A870-G874 VanDerWaalsContact O-N 3.09Å; A870-Q875 HydrophobicContact CB-CB 4.1Å; A870-Q875 PolarHBondContact O-N 2.9Å; A870-T876 HydrophobicContact CB-CG2 3.61Å
871	V	94.2	Very high	93.3	Very high	58 Å²	58	88.3 Å²	88.3	35%	0.352	44%	0.443	S	S	.	.	H	α-helix	trans	-61.1	-47.9	173.8	171.9	0	0	0	0	110.8	W867 E873 G874 T876	W867-V871 HydrophobicContact CD2-CG2 4.12Å; W867-V871 HydrophobicContact CH2-CG2 4.4Å; W867-V871 HydrophobicContact CZ2-CG2 3.8Å; W867-V871 WeakPolarHBondContact O-CG2 3.26Å; W867-V871 PolarHBondContact O-N 2.94Å; V871-E873 VanDerWaalsContact C-N 3.27Å; V871-E873 PolarHBondContact O-N 2.62Å; V871-G874 PolarHBondContact O-N 3.43Å; V871-T876 HydrophobicContact CG2-CG2 3.98Å
872	R	94.5	Very high	93.4	Very high	197 Å²	197	87.2 Å²	87.2	74%	0.743	45%	0.45	S	S	*	.	H	α-helix	trans	-63.2	-32.7	178.7	-175.9	179.7	61	-178.9	-3.3	112.9	E868 K869 G874	E868-R872 WeakPolarHBondContact O-CB 3.38Å; E868-R872 PolarHBondContact O-N 2.93Å; K869-R872 PolarHBondContact O-N 3.06Å; R872-G874 VanDerWaalsContact C-N 3.3Å
873	E	96.2	Very high	93.4	Very high	92 Å²	92	83 Å²	83	43%	0.43	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	1.5	177	-69.9	173.7	-171.9	0	0	112.9	K869 A870 V871 Q875	K869-E873 WeakPolarHBondContact CE-OE1 3.46Å; K869-E873 HydrophobicContact CG-CG 4.48Å; K869-E873 WeakPolarHBondContact CG-OE1 3.47Å; K869-E873 IonicContact NZ-OE1 2.79Å; K869-E873 WeakPolarHBondContact O-CB 3.28Å; K869-E873 WeakPolarHBondContact O-CG 3.18Å; K869-E873 PolarHBondContact O-N 3.27Å; A870-E873 CarbonylContact O-C 3.49Å; A870-E873 PolarHBondContact O-N 2.93Å; V871-E873 VanDerWaalsContact C-N 3.27Å; V871-E873 PolarHBondContact O-N 2.62Å; E873-Q875 HydrophobicContact CB-CG 4.08Å; E873-Q875 PolarHBondContact O-N 3.28Å; E873-Q875 PolarHBondContact OE2-NE2 3.3Å
874	G	94.3	Very high	93.6	Very high	63 Å²	63	79.3 Å²	79.3	65%	0.649	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	21.9	-178.5	0	0	0	0	0	114	A870 V871 R872	A870-G874 PolarHBondContact O-N 3.33Å; A870-G874 VanDerWaalsContact O-N 3.09Å; V871-G874 PolarHBondContact O-N 3.43Å; R872-G874 VanDerWaalsContact C-N 3.3Å
875	Q	94.5	Very high	93.9	Very high	137 Å²	137	77.5 Å²	77.5	64%	0.64	41%	0.407	S	S	*	.	S	Bend	trans	-84.1	-19.3	-179.9	-69.1	169.4	4.7	0	0	112.8	A870 E873	A870-Q875 HydrophobicContact CB-CB 4.1Å; A870-Q875 PolarHBondContact O-N 2.9Å; E873-Q875 HydrophobicContact CB-CG 4.08Å; E873-Q875 PolarHBondContact O-N 3.28Å; E873-Q875 PolarHBondContact OE2-NE2 3.3Å
876	T	91.9	Very high	94.2	Very high	33 Å²	33	72.6 Å²	72.6	20%	0.202	38%	0.384	C	S	.	.			trans	-153.2	142.8	176.8	-171.9	0	0	0	0	111.5	A870 V871 E878	A870-T876 HydrophobicContact CB-CG2 3.61Å; V871-T876 HydrophobicContact CG2-CG2 3.98Å; T876-E878 WeakPolarHBondContact OG1-CB 3.34Å; T876-E878 PolarHBondContact OG1-N 3.13Å; T876-E878 VanDerWaalsContact OG1-N 3.1Å
877	D	90.8	Very high	94.2	Very high	162 Å²	162	71.7 Å²	71.7	87%	0.866	37%	0.374	S	S	*	.			trans	-110.9	4.8	167.4	-66.1	-41.3	0	0	0	111.4
878	E	90.5	Very high	94.2	Very high	143 Å²	143	71.1 Å²	71.1	67%	0.668	38%	0.381	S	S	*	.	S	Bend	trans	-71.6	146.5	-180	-64.6	-171.7	161.9	0	0	111	W867 T876	W867-E878 PolarHBondContact NE1-O 3.4Å; T876-E878 WeakPolarHBondContact OG1-CB 3.34Å; T876-E878 PolarHBondContact OG1-N 3.13Å; T876-E878 VanDerWaalsContact OG1-N 3.1Å
879	P	90.2	Very high	94.1	Very high	77 Å²	77	70.7 Å²	70.7	50%	0.5	38%	0.378	S	S	.	.			trans	-63.4	150	173.1	29.4	-35.8	0	0	0	110.7	F881 T882	P879-F881 PolarHBondContact O-N 3.28Å; P879-T882 WeakPolarHBondContact CG-OG1 3.44Å
880	L	90.7	Very high	93.8	Very high	38 Å²	38	72.6 Å²	72.6	20%	0.199	39%	0.388	C	S	.	.	S	Bend	trans	-50.4	-33.2	176.2	175.4	63.1	0	0	0	112.8	L628 K863 R864 W867	L628-L880 HydrophobicContact CD2-CD2 3.88Å; L628-L880 HydrophobicContact CD2-CG 4.07Å; K863-L880 HydrophobicContact CG-CD1 4.4Å; R864-L880 HydrophobicContact CB-CD2 4.38Å; R864-L880 HydrophobicContact CG-CD2 4.08Å; W867-L880 HydrophobicContact CB-CD1 3.56Å; W867-L880 HydrophobicContact CD2-CB 3.72Å; W867-L880 HydrophobicContact CD2-CD1 3.94Å; W867-L880 HydrophobicContact CD2-CG 4.37Å; W867-L880 HydrophobicContact CE3-CB 3.99Å; W867-L880 HydrophobicContact CE3-CD1 4.19Å; W867-L880 HydrophobicContact CE3-CG 4.47Å; W867-L880 HydrophobicContact CG-CB 4.11Å; W867-L880 HydrophobicContact CG-CD1 3.65Å; W867-L880 HydrophobicContact CG-CG 4.49Å; W867-L880 HydrophobicContact CH2-CB 4.47Å; W867-L880 HydrophobicContact CZ2-CB 4.21Å; W867-L880 HydrophobicContact CZ3-CB 4.37Å
881	F	92.8	Very high	93.1	Very high	29 Å²	29	74.2 Å²	74.2	13%	0.127	40%	0.395	C	S	.	.			trans	-154.4	135.4	178.7	179.7	-113	0	0	0	110	L628 E647 P879 P883 V884 P917	L628-F881 HydrophobicContact CD1-CB 4.18Å; L628-F881 HydrophobicContact CD1-CD1 3.64Å; L628-F881 HydrophobicContact CD1-CE1 4.39Å; L628-F881 HydrophobicContact CD1-CG 4.15Å; L628-F881 HydrophobicContact CD2-CB 3.53Å; L628-F881 HydrophobicContact CD2-CD1 4.47Å; L628-F881 HydrophobicContact CD2-CG 4.14Å; L628-F881 HydrophobicContact CG-CB 3.77Å; L628-F881 HydrophobicContact CG-CD1 3.77Å; L628-F881 HydrophobicContact CG-CG 3.8Å; E647-F881 WeakPolarHBondContact OE1-CZ 3.43Å; P879-F881 PolarHBondContact O-N 3.28Å; F881-P883 HydrophobicContact CD1-CG 4.46Å; F881-P883 HydrophobicContact CE1-CB 4.28Å; F881-P883 HydrophobicContact CE1-CG 4.24Å; F881-V884 HydrophobicContact CZ-CG2 4.49Å; F881-P917 HydrophobicContact CE2-CG 4.02Å
882	T	93.8	Very high	92.5	Very high	95 Å²	95	78.4 Å²	78.4	58%	0.583	42%	0.42	S	S	*	.			trans	-107.2	120.2	168.2	-58.4	0	0	0	0	107.5	P879	P879-T882 WeakPolarHBondContact CG-OG1 3.44Å
883	P	96	Very high	91.8	Very high	17 Å²	17	75.1 Å²	75.1	11%	0.11	42%	0.417	C	S	.	.			trans	-55.7	142	177.3	-24.8	34.4	0	0	0	112.2	E647 V649 F881 F886	E647-P883 WeakPolarHBondContact OE1-CA 3.49Å; V649-P883 HydrophobicContact CB-CB 4.26Å; V649-P883 HydrophobicContact CB-CG 3.65Å; V649-P883 HydrophobicContact CG1-CB 3.86Å; V649-P883 HydrophobicContact CG1-CG 3.82Å; F881-P883 HydrophobicContact CD1-CG 4.46Å; F881-P883 HydrophobicContact CE1-CB 4.28Å; F881-P883 HydrophobicContact CE1-CG 4.24Å; P883-F886 HydrophobicContact CB-CB 4.39Å; P883-F886 WeakPolarHBondContact CB-O 3.22Å
884	V	97.1	Very high	91.1	Very high	23 Å²	23	72.8 Å²	72.8	14%	0.139	42%	0.418	C	S	.	.	S	Bend	trans	-87.9	-36.8	-172.3	179.5	0	0	0	0	111.5	E647 F881 K915	E647-V884 PolarHBondContact OE1-N 3.41Å; E647-V884 PolarHBondContact OE2-N 3.3Å; F881-V884 HydrophobicContact CZ-CG2 4.49Å; V884-K915 HydrophobicContact CG1-CB 3.59Å; V884-K915 HydrophobicContact CG1-CD 4.31Å; V884-K915 WeakPolarHBondContact CG2-O 3.27Å
885	W	97.9	Very high	90.7	Very high	1 Å²	1	73.9 Å²	73.9	0%	0.004	41%	0.409	C	S	.	.	S	Bend	trans	-109.1	-9.2	-171.5	-49.1	110.9	0	0	0	112.9	E647 Y900 L901 N903 Y904 W913	E647-W885 WeakPolarHBondContact OE2-CB 3.43Å; E647-W885 PolarHBondContact OE2-N 3.41Å; W885-Y900 WeakPolarHBondContact O-CD2 3.27Å; W885-L901 WeakPolarHBondContact O-CB 3.32Å; W885-L901 PolarHBondContact O-N 3.2Å; W885-N903 WeakPolarHBondContact CZ3-ND2 3.44Å; W885-Y904 AromaticContact CD2-CD2 3.61Å; W885-Y904 HydrophobicContact CD2-CD2 3.61Å; W885-Y904 HydrophobicContact CD2-CG 4.35Å; W885-Y904 AromaticContact CE2-CD2 3.53Å; W885-Y904 HydrophobicContact CE3-CD2 4.05Å; W885-Y904 HydrophobicContact CE3-CG 4.43Å; W885-Y904 AromaticContact CG-CD2 3.95Å; W885-Y904 HydrophobicContact CG-CD2 3.95Å; W885-Y904 HydrophobicContact CH2-CD2 4.29Å; W885-Y904 AromaticContact CZ2-CD2 3.89Å; W885-Y904 HydrophobicContact CZ2-CD2 3.89Å; W885-Y904 HydrophobicContact CZ2-CE2 4.32Å; W885-Y904 HydrophobicContact CZ3-CD2 4.37Å; W885-Y904 AromaticContact NE1-CD2 3.81Å; W885-W913 HydrophobicContact CH2-CE3 4.45Å; W885-W913 HydrophobicContact CH2-CZ3 4.26Å; W885-W913 HydrophobicContact CZ2-CE3 4.28Å; W885-W913 HydrophobicContact CZ2-CZ3 4.14Å
886	F	97.8	Very high	90.3	Very high	3 Å²	3	71.9 Å²	71.9	1%	0.013	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	156.1	179.6	-65.4	-96.2	0	0	0	111.1	I645 E647 V649 P883 H898 E899 Y900	I645-F886 HydrophobicContact CG2-CZ 4.31Å; E647-F886 HydrophobicContact CB-CD2 3.69Å; E647-F886 HydrophobicContact CB-CE2 3.76Å; E647-F886 WeakPolarHBondContact OE2-CD2 3.34Å; V649-F886 HydrophobicContact CG1-CB 4.31Å; P883-F886 HydrophobicContact CB-CB 4.39Å; P883-F886 WeakPolarHBondContact CB-O 3.22Å; F886-H898 HydrophobicContact CB-CB 4.04Å; F886-H898 HydrophobicContact CD1-CB 4.28Å; F886-E899 CarbonylContact C-O 3.56Å; F886-E899 WeakPolarHBondContact CA-O 3.23Å; F886-Y900 HydrophobicContact CE1-CD2 4.23Å; F886-Y900 HydrophobicContact CE1-CG 4.47Å; F886-Y900 HydrophobicContact CE2-CD2 4.49Å; F886-Y900 HydrophobicContact CZ-CD2 4.16Å
887	S	96.1	Very high	90.2	Very high	44 Å²	44	73.5 Å²	73.5	31%	0.308	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	131	175.5	-178.1	0	0	0	0	111.1	K889 H898 E899	S887-K889 PolarHBondContact O-N 2.87Å; S887-H898 CarbonylContact O-C 3.54Å; S887-H898 WeakPolarHBondContact O-CA 3.1Å; S887-E899 PolarHBondContact N-O 3.14Å; S887-E899 PolarHBondContact O-N 3.16Å
888	P	92.7	Very high	90.4	Very high	70 Å²	70	66.5 Å²	66.5	46%	0.455	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	132.2	177.6	27.6	-33.8	0	0	0	111	L896	P888-L896 HydrophobicContact CB-CD1 3.7Å
889	K	92	Very high	90.7	Very high	78 Å²	78	63.2 Å²	63.2	34%	0.339	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	161.5	175.5	-72	-165	175.4	-176.6	0	110.5	S887 L896 Y897 E899	S887-K889 PolarHBondContact O-N 2.87Å; K889-L896 CarbonylContact O-C 3.52Å; K889-L896 WeakPolarHBondContact O-CA 3.28Å; K889-Y897 HydrophobicContact CB-CD1 3.99Å; K889-Y897 HydrophobicContact CB-CE1 3.44Å; K889-Y897 VanDerWaalsContact CB-CE1 3.44Å; K889-Y897 HydrophobicContact CB-CE2 4.07Å; K889-Y897 VanDerWaalsContact CB-CZ 3.49Å; K889-Y897 HydrophobicContact CD-CE2 4.36Å; K889-Y897 VanDerWaalsContact CD-OH 3.3Å; K889-Y897 WeakPolarHBondContact CD-OH 2.91Å; K889-Y897 PolarHBondContact N-O 2.91Å; K889-Y897 PolarHBondContact O-N 2.93Å; K889-Y897 VanDerWaalsContact O-O 3.05Å; K889-E899 HydrophobicContact CD-CB 3.98Å; K889-E899 VanDerWaalsContact CE-CD 3.47Å; K889-E899 WeakPolarHBondContact CE-OE2 3.38Å; K889-E899 HydrophobicContact CG-CB 4.41Å; K889-E899 IonicContact NZ-OE1 3.76Å; K889-E899 PolarHBondContact NZ-OE1 3.07Å; K889-E899 IonicContact NZ-OE2 2.92Å; K889-E899 PolarHBondContact NZ-OE2 2.63Å
890	Q	89.3	Confident	91.1	Very high	148 Å²	148	60.9 Å²	60.9	69%	0.692	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	135	170.6	-70.8	-179.6	2.2	0	0	109.6	N895	Q890-N895 WeakPolarHBondContact CA-O 3.31Å
891	D	82.5	Confident	91.4	Very high	51 Å²	51	63.2 Å²	63.2	27%	0.273	35%	0.345	S	S	.	.			trans	-74.1	178.8	170.2	76.3	6.1	0	0	0	111.3	N893 G894 N895 Y897	D891-N893 PolarHBondContact O-N 3.25Å; D891-N893 VanDerWaalsContact O-N 3.08Å; D891-N893 VanDerWaalsContact OD1-C 3.31Å; D891-N893 VanDerWaalsContact OD1-CA 3.29Å; D891-N893 WeakPolarHBondContact OD1-CA 3.46Å; D891-N893 WeakPolarHBondContact OD1-CB 3.03Å; D891-N893 PolarHBondContact OD1-N 3.46Å; D891-G894 PolarHBondContact O-N 2.93Å; D891-G894 PolarHBondContact OD1-N 3.08Å; D891-N895 PolarHBondContact N-O 3.18Å; D891-N895 PolarHBondContact OD1-N 3.18Å; D891-N895 PolarHBondContact OD1-ND2 3.1Å; D891-N895 WeakPolarHBondContact OD2-CB 3.2Å; D891-N895 PolarHBondContact OD2-ND2 2.92Å; D891-Y897 HydrophobicContact CB-CD1 4.15Å; D891-Y897 HydrophobicContact CB-CE1 4.32Å
892	V	80.8	Confident	91.4	Very high	145 Å²	145	63.2 Å²	63.2	88%	0.879	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.7	178.8	-63.7	0	0	0	0	114.1
893	N	79.9	Confident	91.4	Very high	129 Å²	129	60.3 Å²	60.3	69%	0.69	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	2.3	178.8	-59.1	-46.8	0	0	0	112.2	D891 N895	D891-N893 PolarHBondContact O-N 3.25Å; D891-N893 VanDerWaalsContact O-N 3.08Å; D891-N893 VanDerWaalsContact OD1-C 3.31Å; D891-N893 VanDerWaalsContact OD1-CA 3.29Å; D891-N893 WeakPolarHBondContact OD1-CA 3.46Å; D891-N893 WeakPolarHBondContact OD1-CB 3.03Å; D891-N893 PolarHBondContact OD1-N 3.46Å; N893-N895 VanDerWaalsContact C-N 3.34Å
894	G	81.9	Confident	91.5	Very high	43 Å²	43	59.5 Å²	59.5	44%	0.443	33%	0.329	S	S	.	.	S	Bend	trans	80.5	7.9	-176.6	0	0	0	0	0	114.5	D891	D891-G894 PolarHBondContact O-N 2.93Å; D891-G894 PolarHBondContact OD1-N 3.08Å
895	N	85.1	Confident	91.5	Very high	85 Å²	85	59.3 Å²	59.3	46%	0.455	33%	0.326	S	S	.	.			trans	-74.9	134.4	175.8	-54.6	-60.9	0	0	0	110.1	Q890 D891 N893 Y897	Q890-N895 WeakPolarHBondContact CA-O 3.31Å; D891-N895 PolarHBondContact N-O 3.18Å; D891-N895 PolarHBondContact OD1-N 3.18Å; D891-N895 PolarHBondContact OD1-ND2 3.1Å; D891-N895 WeakPolarHBondContact OD2-CB 3.2Å; D891-N895 PolarHBondContact OD2-ND2 2.92Å; N893-N895 VanDerWaalsContact C-N 3.34Å; N895-Y897 PolarHBondContact O-N 3.39Å
896	L	86.2	Confident	91.4	Very high	95 Å²	95	63.6 Å²	63.6	50%	0.497	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	128.2	172.5	-178.2	68.5	0	0	0	110.1	P888 K889	P888-L896 HydrophobicContact CB-CD1 3.7Å; K889-L896 CarbonylContact O-C 3.52Å; K889-L896 WeakPolarHBondContact O-CA 3.28Å
897	Y	90.8	Very high	91.4	Very high	68 Å²	68	63.7 Å²	63.7	27%	0.267	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	159.8	165.2	78.1	-83.3	0	0	0	110.1	D672 K889 D891 N895 E899	D672-Y897 VanDerWaalsContact OD2-CA 3.23Å; D672-Y897 WeakPolarHBondContact OD2-CA 3.43Å; K889-Y897 HydrophobicContact CB-CD1 3.99Å; K889-Y897 HydrophobicContact CB-CE1 3.44Å; K889-Y897 VanDerWaalsContact CB-CE1 3.44Å; K889-Y897 HydrophobicContact CB-CE2 4.07Å; K889-Y897 VanDerWaalsContact CB-CZ 3.49Å; K889-Y897 HydrophobicContact CD-CE2 4.36Å; K889-Y897 VanDerWaalsContact CD-OH 3.3Å; K889-Y897 WeakPolarHBondContact CD-OH 2.91Å; K889-Y897 PolarHBondContact N-O 2.91Å; K889-Y897 PolarHBondContact O-N 2.93Å; K889-Y897 VanDerWaalsContact O-O 3.05Å; D891-Y897 HydrophobicContact CB-CD1 4.15Å; D891-Y897 HydrophobicContact CB-CE1 4.32Å; N895-Y897 PolarHBondContact O-N 3.39Å; Y897-E899 HydrophobicContact CE2-CB 4.07Å
898	H	94.7	Very high	91.5	Very high	15 Å²	15	63.2 Å²	63.2	7%	0.069	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	118	179.3	-64.2	73.9	0	0	0	111.1	S657 D672 F674 F886 S887	S657-H898 WeakPolarHBondContact OG-CB 2.94Å; S657-H898 PolarHBondContact OG-ND1 2.91Å; D672-H898 IonicContact OD1-ND1 2.74Å; D672-H898 IonicContact OD2-CE1 3.68Å; D672-H898 IonicContact OD2-CG 2.67Å; D672-H898 PolarHBondContact OD2-N 3.28Å; D672-H898 IonicContact OD2-ND1 3.97Å; D672-H898 PolarHBondContact OD2-ND1 3.34Å; F674-H898 AromaticContact CZ-CE1 3.76Å; F886-H898 HydrophobicContact CB-CB 4.04Å; F886-H898 HydrophobicContact CD1-CB 4.28Å; S887-H898 CarbonylContact O-C 3.54Å; S887-H898 WeakPolarHBondContact O-CA 3.1Å
899	E	96.2	Very high	91.7	Very high	73 Å²	73	67.8 Å²	67.8	34%	0.341	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	130.9	177.6	-175.5	-177.9	-102.8	0	0	110.5	F886 S887 K889 Y897 L901	F886-E899 CarbonylContact C-O 3.56Å; F886-E899 WeakPolarHBondContact CA-O 3.23Å; S887-E899 PolarHBondContact N-O 3.14Å; S887-E899 PolarHBondContact O-N 3.16Å; K889-E899 HydrophobicContact CD-CB 3.98Å; K889-E899 VanDerWaalsContact CE-CD 3.47Å; K889-E899 WeakPolarHBondContact CE-OE2 3.38Å; K889-E899 HydrophobicContact CG-CB 4.41Å; K889-E899 IonicContact NZ-OE1 3.76Å; K889-E899 PolarHBondContact NZ-OE1 3.07Å; K889-E899 IonicContact NZ-OE2 2.92Å; K889-E899 PolarHBondContact NZ-OE2 2.63Å; Y897-E899 HydrophobicContact CE2-CB 4.07Å; E899-L901 PolarHBondContact O-N 3.01Å
900	Y	98	Very high	91.9	Very high	29 Å²	29	72.1 Å²	72.1	11%	0.114	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	128.4	172.3	176	-121.2	0	0	0	111.2	I645 Y659 W885 F886 G902 Y904	I645-Y900 HydrophobicContact CG2-CD2 3.91Å; I645-Y900 HydrophobicContact CG2-CE2 3.57Å; Y659-Y900 AromaticContact CD1-CD1 3.32Å; Y659-Y900 HydrophobicContact CD1-CD1 3.32Å; Y659-Y900 AromaticContact CD1-CE1 3.74Å; Y659-Y900 HydrophobicContact CD1-CE1 3.74Å; Y659-Y900 AromaticContact CD1-CG 3.85Å; Y659-Y900 HydrophobicContact CD1-CG 3.85Å; Y659-Y900 HydrophobicContact CD2-CD1 4.05Å; Y659-Y900 HydrophobicContact CD2-CG 4.23Å; Y659-Y900 AromaticContact CE1-CD1 3.56Å; Y659-Y900 HydrophobicContact CE1-CD1 3.56Å; Y659-Y900 AromaticContact CE1-CE1 3.85Å; Y659-Y900 HydrophobicContact CE1-CE1 3.85Å; Y659-Y900 HydrophobicContact CE1-CG 4.49Å; Y659-Y900 HydrophobicContact CE2-CD1 4.26Å; Y659-Y900 AromaticContact CG-CD1 3.6Å; Y659-Y900 HydrophobicContact CG-CD1 3.6Å; Y659-Y900 HydrophobicContact CG-CE1 4.43Å; Y659-Y900 AromaticContact CG-CG 3.71Å; Y659-Y900 HydrophobicContact CG-CG 3.71Å; W885-Y900 WeakPolarHBondContact O-CD2 3.27Å; F886-Y900 HydrophobicContact CE1-CD2 4.23Å; F886-Y900 HydrophobicContact CE1-CG 4.47Å; F886-Y900 HydrophobicContact CE2-CD2 4.49Å; F886-Y900 HydrophobicContact CZ-CD2 4.16Å; Y900-G902 VanDerWaalsContact C-N 3.31Å; Y900-G902 PolarHBondContact O-N 2.76Å; Y900-G902 PolarHBondContact OH-O 3.22Å; Y900-Y904 WeakPolarHBondContact OH-CB 3.46Å; Y900-Y904 PolarHBondContact OH-N 3.18Å
901	L	97.4	Very high	92.3	Very high	86 Å²	86	69.8 Å²	69.8	45%	0.45	36%	0.358	S	S	.	.			trans	-80.5	-7.2	-174	-68.1	177.2	0	0	0	114.4	W885 E899 N903	W885-L901 WeakPolarHBondContact O-CB 3.32Å; W885-L901 PolarHBondContact O-N 3.2Å; E899-L901 PolarHBondContact O-N 3.01Å; L901-N903 VanDerWaalsContact C-N 3.3Å; L901-N903 WeakPolarHBondContact CB-OD1 3.28Å; L901-N903 PolarHBondContact O-N 3.47Å
902	G	93.5	Very high	93.1	Very high	29 Å²	29	70.1 Å²	70.1	30%	0.299	36%	0.36	S	S	.	.	S	Bend	trans	90.2	-27.9	177.1	0	0	0	0	0	115	Y900 Y904	Y900-G902 VanDerWaalsContact C-N 3.31Å; Y900-G902 PolarHBondContact O-N 2.76Å; Y900-G902 PolarHBondContact OH-O 3.22Å; G902-Y904 PolarHBondContact O-N 3.23Å
903	N	93.3	Very high	93.8	Very high	35 Å²	35	65.2 Å²	65.2	19%	0.187	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	2.8	-160.2	67	-47.5	0	0	0	117.3	W885 L901 E906 S907	W885-N903 WeakPolarHBondContact CZ3-ND2 3.44Å; L901-N903 VanDerWaalsContact C-N 3.3Å; L901-N903 WeakPolarHBondContact CB-OD1 3.28Å; L901-N903 PolarHBondContact O-N 3.47Å; N903-E906 VanDerWaalsContact C-OE2 3.26Å; N903-E906 WeakPolarHBondContact CA-OE2 3.46Å; N903-S907 WeakPolarHBondContact O-CB 3.49Å; N903-S907 PolarHBondContact O-N 3.02Å
904	Y	98.2	Very high	94.6	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-67.4	-48.8	-177.1	179.3	-89	0	0	0	111.9	E633 I645 A828 W885 Y900 G902 E906 S907 K908 W913	E633-Y904 HydrophobicContact CB-CE1 3.71Å; E633-Y904 VanDerWaalsContact CD-OH 3.32Å; E633-Y904 HydrophobicContact CG-CE1 4.24Å; E633-Y904 WeakPolarHBondContact CG-OH 3.49Å; E633-Y904 WeakPolarHBondContact OE2-CE1 3.5Å; E633-Y904 VanDerWaalsContact OE2-CZ 3.22Å; E633-Y904 PolarHBondContact OE2-OH 3.33Å; I645-Y904 HydrophobicContact CB-CD1 4.47Å; I645-Y904 HydrophobicContact CD1-CD1 4.01Å; I645-Y904 HydrophobicContact CD1-CD2 3.62Å; I645-Y904 HydrophobicContact CD1-CE1 3.89Å; I645-Y904 HydrophobicContact CD1-CE2 3.48Å; I645-Y904 VanDerWaalsContact CD1-CE2 3.48Å; I645-Y904 HydrophobicContact CD1-CG 3.91Å; I645-Y904 HydrophobicContact CG1-CD1 4.16Å; I645-Y904 HydrophobicContact CG1-CD2 3.9Å; I645-Y904 HydrophobicContact CG1-CE2 4.29Å; I645-Y904 HydrophobicContact CG1-CG 3.86Å; A828-Y904 HydrophobicContact CB-CE2 4.23Å; W885-Y904 AromaticContact CD2-CD2 3.61Å; W885-Y904 HydrophobicContact CD2-CD2 3.61Å; W885-Y904 HydrophobicContact CD2-CG 4.35Å; W885-Y904 AromaticContact CE2-CD2 3.53Å; W885-Y904 HydrophobicContact CE3-CD2 4.05Å; W885-Y904 HydrophobicContact CE3-CG 4.43Å; W885-Y904 AromaticContact CG-CD2 3.95Å; W885-Y904 HydrophobicContact CG-CD2 3.95Å; W885-Y904 HydrophobicContact CH2-CD2 4.29Å; W885-Y904 AromaticContact CZ2-CD2 3.89Å; W885-Y904 HydrophobicContact CZ2-CD2 3.89Å; W885-Y904 HydrophobicContact CZ2-CE2 4.32Å; W885-Y904 HydrophobicContact CZ3-CD2 4.37Å; W885-Y904 AromaticContact NE1-CD2 3.81Å; Y900-Y904 WeakPolarHBondContact OH-CB 3.46Å; Y900-Y904 PolarHBondContact OH-N 3.18Å; G902-Y904 PolarHBondContact O-N 3.23Å; Y904-E906 PolarHBondContact O-N 2.7Å; Y904-S907 WeakPolarHBondContact O-CB 3.35Å; Y904-S907 PolarHBondContact O-N 2.68Å; Y904-K908 PolarHBondContact O-N 3.27Å; Y904-W913 HydrophobicContact CE2-CH2 4.35Å; Y904-W913 HydrophobicContact CE2-CZ3 4.05Å
905	W	97.5	Very high	95.2	Very high	18 Å²	18	70.8 Å²	70.8	7%	0.068	34%	0.338	C	S	.	.	H	α-helix	trans	-69.4	-34.3	-173.7	-57.5	108.7	0	0	0	112.3	E633 D635 R643 I645 K908 E909	E633-W905 HydrophobicContact CB-CH2 3.97Å; E633-W905 HydrophobicContact CB-CZ3 4.26Å; D635-W905 HydrophobicContact CB-CH2 4.46Å; D635-W905 HydrophobicContact CB-CZ3 4.37Å; R643-W905 HydrophobicContact CB-CH2 3.78Å; R643-W905 HydrophobicContact CB-CZ2 3.64Å; R643-W905 VanDerWaalsContact CD-CE2 3.48Å; R643-W905 HydrophobicContact CG-CH2 4.2Å; R643-W905 HydrophobicContact CG-CZ2 3.62Å; R643-W905 VanDerWaalsContact CZ-CG 3.47Å; I645-W905 HydrophobicContact CB-CZ2 4.39Å; W905-K908 HydrophobicContact CE3-CD 4.23Å; W905-K908 HydrophobicContact CZ3-CD 4.36Å; W905-K908 WeakPolarHBondContact O-CB 3.48Å; W905-K908 PolarHBondContact O-N 2.93Å; W905-E909 PolarHBondContact O-N 3.23Å
906	E	96.4	Very high	95.8	Very high	92 Å²	92	67.7 Å²	67.7	43%	0.43	32%	0.323	S	S	.	.	H	α-helix	trans	-70	-32.1	173.1	-59.5	84.5	171.6	0	0	112.1	N903 Y904 R910	N903-E906 VanDerWaalsContact C-OE2 3.26Å; N903-E906 WeakPolarHBondContact CA-OE2 3.46Å; Y904-E906 PolarHBondContact O-N 2.7Å; E906-R910 WeakPolarHBondContact O-CB 3.42Å; E906-R910 WeakPolarHBondContact O-CG 3.46Å; E906-R910 PolarHBondContact O-N 3.44Å; E906-R910 PolarHBondContact O-NE 2.69Å; E906-R910 VanDerWaalsContact O-NE 3.1Å
907	S	97.7	Very high	96.2	Very high	5 Å²	5	64.7 Å²	64.7	4%	0.035	31%	0.309	C	S	.	.	H	α-helix	trans	-66.3	-42.4	169.4	-92.3	0	0	0	0	111.1	N903 Y904 R910 Q911 D912	N903-S907 WeakPolarHBondContact O-CB 3.49Å; N903-S907 PolarHBondContact O-N 3.02Å; Y904-S907 WeakPolarHBondContact O-CB 3.35Å; Y904-S907 PolarHBondContact O-N 2.68Å; S907-R910 CarbonylContact O-C 3.53Å; S907-R910 PolarHBondContact O-N 2.84Å; S907-Q911 WeakPolarHBondContact O-CA 3.38Å; S907-Q911 PolarHBondContact O-N 3.23Å; S907-D912 WeakPolarHBondContact CB-O 3.34Å; S907-D912 PolarHBondContact O-N 3.44Å; S907-D912 PolarHBondContact OG-O 3.48Å
908	K	97.6	Very high	96.4	Very high	33 Å²	33	67.6 Å²	67.6	14%	0.143	33%	0.329	C	S	.	.	H	α-helix	trans	-60.9	-48.7	175	-166.8	-169	-179.4	179.8	0	112.3	E633 Y904 W905 R910 Q911 W913	E633-K908 WeakPolarHBondContact OE1-CE 3.28Å; E633-K908 IonicContact OE1-NZ 3.93Å; E633-K908 PolarHBondContact OE1-NZ 2.7Å; E633-K908 VanDerWaalsContact OE2-CD 3.28Å; E633-K908 WeakPolarHBondContact OE2-CD 3.24Å; E633-K908 WeakPolarHBondContact OE2-CE 3.43Å; E633-K908 IonicContact OE2-NZ 2.78Å; Y904-K908 PolarHBondContact O-N 3.27Å; W905-K908 HydrophobicContact CE3-CD 4.23Å; W905-K908 HydrophobicContact CZ3-CD 4.36Å; W905-K908 WeakPolarHBondContact O-CB 3.48Å; W905-K908 PolarHBondContact O-N 2.93Å; K908-R910 VanDerWaalsContact C-N 3.26Å; K908-R910 PolarHBondContact O-N 3.03Å; K908-Q911 PolarHBondContact O-N 3.14Å; K908-Q911 PolarHBondContact O-NE2 2.85Å; K908-W913 VanDerWaalsContact CA-CH2 3.43Å; K908-W913 HydrophobicContact CB-CH2 3.64Å; K908-W913 HydrophobicContact CB-CZ2 4Å; K908-W913 HydrophobicContact CG-CH2 3.98Å; K908-W913 HydrophobicContact CG-CZ2 3.97Å
909	E	96.1	Very high	96.5	Very high	167 Å²	167	67.2 Å²	67.2	78%	0.78	33%	0.328	S	S	*	.	H	α-helix	trans	-59.5	-38.9	-179.9	-174.1	174.7	-166.3	0	0	111.8	W905 Q911	W905-E909 PolarHBondContact O-N 3.23Å; E909-Q911 VanDerWaalsContact C-N 3.33Å
910	R	97.7	Very high	96.5	Very high	169 Å²	169	65.5 Å²	65.5	64%	0.638	32%	0.318	S	S	*	.	H	α-helix	trans	-83.5	-5.8	176.7	-65.7	-177.5	-65.3	178.4	5.3	114.2	E906 S907 K908 D912	E906-R910 WeakPolarHBondContact O-CB 3.42Å; E906-R910 WeakPolarHBondContact O-CG 3.46Å; E906-R910 PolarHBondContact O-N 3.44Å; E906-R910 PolarHBondContact O-NE 2.69Å; E906-R910 VanDerWaalsContact O-NE 3.1Å; S907-R910 CarbonylContact O-C 3.53Å; S907-R910 PolarHBondContact O-N 2.84Å; K908-R910 VanDerWaalsContact C-N 3.26Å; K908-R910 PolarHBondContact O-N 3.03Å; R910-D912 HydrophobicContact CB-CB 4.31Å; R910-D912 PolarHBondContact O-N 3.25Å
911	Q	97.6	Very high	96.4	Very high	98 Å²	98	67.3 Å²	67.3	46%	0.458	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	35.3	-170.1	-65.4	-68.8	-62.5	0	0	112.9	G826 S907 K908 E909	G826-Q911 VanDerWaalsContact CA-OE1 3.26Å; G826-Q911 PolarHBondContact O-NE2 3.37Å; S907-Q911 WeakPolarHBondContact O-CA 3.38Å; S907-Q911 PolarHBondContact O-N 3.23Å; K908-Q911 PolarHBondContact O-N 3.14Å; K908-Q911 PolarHBondContact O-NE2 2.85Å; E909-Q911 VanDerWaalsContact C-N 3.33Å
912	D	97.7	Very high	96.3	Very high	59 Å²	59	66.3 Å²	66.3	32%	0.316	32%	0.322	S	S	.	.			trans	-99.4	102.2	179.6	179	9.3	0	0	0	111	S907 R910 L914	S907-D912 WeakPolarHBondContact CB-O 3.34Å; S907-D912 PolarHBondContact O-N 3.44Å; S907-D912 PolarHBondContact OG-O 3.48Å; R910-D912 HydrophobicContact CB-CB 4.31Å; R910-D912 PolarHBondContact O-N 3.25Å; D912-L914 WeakPolarHBondContact OD1-CB 3.44Å; D912-L914 VanDerWaalsContact OD1-CG 3.27Å; D912-L914 WeakPolarHBondContact OD1-CG 3.35Å; D912-L914 PolarHBondContact OD1-N 3.02Å; D912-L914 VanDerWaalsContact OD1-N 3.14Å
913	W	97.4	Very high	96.5	Very high	42 Å²	42	68.4 Å²	68.4	16%	0.159	32%	0.323	C	S	.	.			trans	-109.6	18.5	-178.4	-54.1	118.4	0	0	0	113.5	G826 A828 P829 W885 Y904 K908 K915 C916	G826-W913 VanDerWaalsContact O-CZ2 3.27Å; G826-W913 WeakPolarHBondContact O-CZ2 3.37Å; A828-W913 HydrophobicContact CB-CD2 4.19Å; A828-W913 HydrophobicContact CB-CE3 3.8Å; A828-W913 HydrophobicContact CB-CH2 3.98Å; A828-W913 HydrophobicContact CB-CZ2 4.38Å; A828-W913 HydrophobicContact CB-CZ3 3.7Å; P829-W913 HydrophobicContact CG-CB 4.01Å; P829-W913 HydrophobicContact CG-CG 4.41Å; W885-W913 HydrophobicContact CH2-CE3 4.45Å; W885-W913 HydrophobicContact CH2-CZ3 4.26Å; W885-W913 HydrophobicContact CZ2-CE3 4.28Å; W885-W913 HydrophobicContact CZ2-CZ3 4.14Å; Y904-W913 HydrophobicContact CE2-CH2 4.35Å; Y904-W913 HydrophobicContact CE2-CZ3 4.05Å; K908-W913 VanDerWaalsContact CA-CH2 3.43Å; K908-W913 HydrophobicContact CB-CH2 3.64Å; K908-W913 HydrophobicContact CB-CZ2 4Å; K908-W913 HydrophobicContact CG-CH2 3.98Å; K908-W913 HydrophobicContact CG-CZ2 3.97Å; W913-K915 PolarHBondContact O-N 3.33Å; W913-K915 VanDerWaalsContact O-N 3.08Å; W913-C916 HydrophobicContact CB-CB 4.42Å; W913-C916 WeakPolarHBondContact O-CB 3.44Å; W913-C916 PolarHBondContact O-N 2.75Å
914	L	95.8	Very high	96.7	Very high	158 Å²	158	70.4 Å²	70.4	83%	0.827	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.5	-176.6	-71.2	171.4	0	0	0	113.7	D912	D912-L914 WeakPolarHBondContact OD1-CB 3.44Å; D912-L914 VanDerWaalsContact OD1-CG 3.27Å; D912-L914 WeakPolarHBondContact OD1-CG 3.35Å; D912-L914 PolarHBondContact OD1-N 3.02Å; D912-L914 VanDerWaalsContact OD1-N 3.14Å
915	K	94.4	Very high	96.6	Very high	131 Å²	131	74.8 Å²	74.8	57%	0.57	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-14.1	177	-61.3	-175	178.3	-174.9	0	113.8	V884 W913	V884-K915 HydrophobicContact CG1-CB 3.59Å; V884-K915 HydrophobicContact CG1-CD 4.31Å; V884-K915 WeakPolarHBondContact CG2-O 3.27Å; W913-K915 PolarHBondContact O-N 3.33Å; W913-K915 VanDerWaalsContact O-N 3.08Å
916	C	96.8	Very high	96.5	Very high	20 Å²	20	78.5 Å²	78.5	14%	0.135	37%	0.371	C	S	.	.			trans	-75.1	129.4	-177	-75.5	0	0	0	0	110.9	P829 T830 W913	P829-C916 HydrophobicContact CG-CB 3.63Å; T830-C916 HydrophobicContact CG2-CB 4.04Å; W913-C916 HydrophobicContact CB-CB 4.42Å; W913-C916 WeakPolarHBondContact O-CB 3.44Å; W913-C916 PolarHBondContact O-N 2.75Å
917	P	95.5	Very high	96.6	Very high	32 Å²	32	77.6 Å²	77.6	21%	0.208	37%	0.367	C	S	.	.			trans	-70.7	153.8	172.5	30.4	-37.4	0	0	0	112.2	T830 F881 I919	T830-P917 HydrophobicContact CG2-CG 4.09Å; T830-P917 VanDerWaalsContact CG2-O 3.23Å; T830-P917 WeakPolarHBondContact CG2-O 3.42Å; F881-P917 HydrophobicContact CE2-CG 4.02Å; P917-I919 HydrophobicContact CB-CG2 4Å; P917-I919 HydrophobicContact CG-CG2 3.74Å; P917-I919 PolarHBondContact O-N 3.47Å
918	D	96	Very high	96.5	Very high	129 Å²	129	83.2 Å²	83.2	69%	0.69	39%	0.392	S	S	*	.			trans	-80.5	102.7	167	172.8	33.5	0	0	0	110.8	K859	K859-D918 IonicContact NZ-OD1 3.11Å; K859-D918 PolarHBondContact NZ-OD1 3.17Å; K859-D918 IonicContact NZ-OD2 3.23Å; K859-D918 PolarHBondContact NZ-OD2 2.95Å
919	I	96.1	Very high	96.4	Very high	6 Å²	6	87.3 Å²	87.3	3%	0.031	41%	0.413	C	S	.	.			trans	-110.3	-17	-174.3	65.8	173.8	0	0	0	114.8	E630 T830 P917	E630-I919 VanDerWaalsContact CA-CD1 3.4Å; E630-I919 HydrophobicContact CB-CD1 3.91Å; E630-I919 HydrophobicContact CG-CD1 4.37Å; T830-I919 HydrophobicContact CG2-CD1 3.81Å; T830-I919 HydrophobicContact CG2-CG1 4.02Å; T830-I919 HydrophobicContact CG2-CG2 4.46Å; P917-I919 HydrophobicContact CB-CG2 4Å; P917-I919 HydrophobicContact CG-CG2 3.74Å; P917-I919 PolarHBondContact O-N 3.47Å
920	Y	95.5	Very high	96.4	Very high	37 Å²	37	80.1 Å²	80.1	15%	0.145	38%	0.38	C	S	.	.			trans	-98.8	0	-175.7	-63.9	-43.3	0	0	0	113.7	L627 E630 P829 T830 D831 S832 R834 R835 R855 L856 K859	L627-Y920 HydrophobicContact CD1-CD1 3.8Å; L627-Y920 HydrophobicContact CD1-CE1 3.83Å; E630-Y920 WeakPolarHBondContact CG-OH 3.28Å; P829-Y920 WeakPolarHBondContact O-CD2 3.36Å; P829-Y920 WeakPolarHBondContact O-CE2 3.42Å; T830-Y920 PolarHBondContact O-OH 3.16Å; D831-Y920 VanDerWaalsContact C-OH 3.28Å; D831-Y920 WeakPolarHBondContact O-CE2 3.42Å; D831-Y920 PolarHBondContact O-OH 2.96Å; S832-Y920 WeakPolarHBondContact CA-OH 3.27Å; R834-Y920 HydrophobicContact CB-CD2 4.24Å; R834-Y920 HydrophobicContact CB-CE2 3.84Å; R835-Y920 HydrophobicContact CB-CD1 4.42Å; R835-Y920 HydrophobicContact CB-CE1 3.64Å; R835-Y920 HydrophobicContact CG-CD1 4.38Å; R835-Y920 HydrophobicContact CG-CE1 3.78Å; R855-Y920 VanDerWaalsContact CZ-OXT 3.23Å; R855-Y920 PolarHBondContact NH1-OXT 2.78Å; R855-Y920 PolarHBondContact NH2-OXT 2.98Å; L856-Y920 HydrophobicContact CD2-CD1 4.16Å; L856-Y920 WeakPolarHBondContact CD2-OXT 3.38Å; K859-Y920 PolarHBondContact NZ-O 3.19Å

Retrieved 920 of 920 residues in 259.8 ms (Link to these results)

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