A0A087XD04_POEFO Loading...

Phosphate regulating endopeptidase homolog, X-linked

AlphaFold DB , UniProt , Accession A0A087XD04, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,102 aa.

						>A0A087XD04_POEFO|A0A087XD04
MIPVSLLVFVMAGWCAVYLADTLLRSSATHRINYESWLASRGLMLSPFHVRWQTTMFNRLFAYCARINPRALYLWFSSGLVFGVAAMLGSVVLLVKTLQQTYAQMTTDNPRIGGQQTLQVVVPGVNLPTSQLAYFFIALLLSGVIHELGHAVAALRESVRVNGFGMFVFVVYPGAFVDLFTTHLNLISPAQQLRIFCAGVWHNFVLCVVALALLFLLPVLLFPVYATGVGAMVTEVVQGSAADGPRGLSVGDLVTRLEDCPVRGVEDWAGCLSQLSRAPQTGYCVPVAGLQPSWAHGRPFKRLDGTMDCCSNNSLTDLCFSYIKPQGRNSREREFACMPVRKMVTGTATCRSDDDCGVNSASVCVTPSLENQTRFIRVAHPPSPHMLFVGFPPHLQYAVSQKSSQEEFCLSPECIEAAGSILSKLDRSVDPCDDFYTFSCGGWLKENTIPEDSSSHGIYPWLRQHVDIRLKELLESPSDAKELQAVTKAKILYRSCMNESILEELDARPMLKMLRQPEFRWPVLGDGLGREYQWSPSQWSLLKTLAEMRNQHSKSVLIRLYVSPDDKNSSYYIIKLDQASLSLSSREDYTTNTSSALGNRAALLSLMVDAAVMLGAPKQAAQTQMEKALDFETKIAHILIPYENRTSENMYNKYTLSRLQRSMPQFDWLGFVKAVVESKDNPSLSISSSEPVIVRTPKYFKDLMKLINSTDSRTVANYIQWRTVFSKITTLSRRFLYRYLDFARVTTGTTSLTPRWDKCVNYVENSLVYATGRLFVDKHFQEDKKLMMEELIEGIRWAFIDMLEKENDWMDQQTKNKAIEKAHAVLPKVGYPEFILNDTYLTEDLEQLEFNEKDYYGNVMQTLKFIAQSDVSWLRRSVPRTEWFTNPTTVNAFYSSSTNQIRFPAGELQKPFFWGKEYPRSLSYGAIGVIVGHELTHGFDNNGRKYDKNGNLDQWWSETSVAAFTEKTQCMIDQYNDYYWEEAGLNVRGKRTLAENIADNGGIREAFRAYRRWVDKNRGGAEEPLLPGLELNNNQLFFLSYAHVRCNSYRPEAAREQIQSGAHSPPKYRVIGAMSNYEEFQKAFSCPQSSVMNRGAQSCRVW
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53	Low	77.1	Confident	204 Å²	204	97.7 Å²	97.7	100%	1.005	53%	0.529	S	S	*	.				0	133.7	0	-70.8	-170.4	-71.2	0	0	109.5	G124	M1-G124 CarbonylContact C-O 3.5Å; M1-G124 WeakPolarHBondContact CA-O 3.49Å; M1-G124 PolarHBondContact N-O 3.04Å
2	I	66.8	Low	77.9	Confident	76 Å²	76	94.3 Å²	94.3	39%	0.39	52%	0.524	S	S	.	.			trans	-69.6	125.9	175.3	-57.3	179.6	0	0	0	108.5	V4 L6 G124	I2-V4 PolarHBondContact O-N 2.86Å; I2-L6 HydrophobicContact CG2-CB 4.39Å; I2-L6 HydrophobicContact CG2-CD2 4.1Å; I2-G124 PolarHBondContact N-O 3.07Å
3	P	73.8	Confident	78.8	Confident	58 Å²	58	89.8 Å²	89.8	38%	0.377	51%	0.512	S	S	.	.			trans	-58.6	133.8	177.2	-22	31.7	0	0	0	111	S5 L6 L7	P3-S5 WeakPolarHBondContact CB-OG 3.49Å; P3-S5 PolarHBondContact O-N 3.09Å; P3-S5 VanDerWaalsContact O-N 3.17Å; P3-L6 HydrophobicContact CB-CB 4.35Å; P3-L6 WeakPolarHBondContact O-CB 3.4Å; P3-L6 PolarHBondContact O-N 3.43Å; P3-L7 PolarHBondContact O-N 3.44Å
4	V	75.8	Confident	79.7	Confident	111 Å²	111	85.4 Å²	85.4	67%	0.673	48%	0.483	S	S	*	.	H	α-helix	trans	-55.8	-34.8	176.7	177.4	0	0	0	0	110.8	I2 L6 L7 V8	I2-V4 PolarHBondContact O-N 2.86Å; V4-L6 VanDerWaalsContact C-N 3.34Å; V4-L6 PolarHBondContact O-N 3.19Å; V4-L7 PolarHBondContact O-N 3.08Å; V4-V8 HydrophobicContact CG1-CG2 4.15Å; V4-V8 WeakPolarHBondContact O-CB 3.42Å; V4-V8 VanDerWaalsContact O-CG2 3.24Å; V4-V8 WeakPolarHBondContact O-CG2 3.39Å; V4-V8 PolarHBondContact O-N 3.12Å
5	S	78.1	Confident	80.2	Confident	90 Å²	90	83.7 Å²	83.7	63%	0.629	48%	0.478	S	S	*	.	H	α-helix	trans	-59	-40.9	174.5	51.2	0	0	0	0	113.3	P3 F9	P3-S5 WeakPolarHBondContact CB-OG 3.49Å; P3-S5 PolarHBondContact O-N 3.09Å; P3-S5 VanDerWaalsContact O-N 3.17Å; S5-F9 WeakPolarHBondContact O-CB 3.43Å; S5-F9 PolarHBondContact O-N 3.4Å
6	L	77.6	Confident	80.8	Confident	75 Å²	75	82.1 Å²	82.1	39%	0.393	48%	0.478	S	S	.	.	H	α-helix	trans	-69.2	-42	177.3	-174.9	66.4	0	0	0	111.1	I2 P3 V4 F9 V10	I2-L6 HydrophobicContact CG2-CB 4.39Å; I2-L6 HydrophobicContact CG2-CD2 4.1Å; P3-L6 HydrophobicContact CB-CB 4.35Å; P3-L6 WeakPolarHBondContact O-CB 3.4Å; P3-L6 PolarHBondContact O-N 3.43Å; V4-L6 VanDerWaalsContact C-N 3.34Å; V4-L6 PolarHBondContact O-N 3.19Å; L6-F9 PolarHBondContact O-N 3.19Å; L6-V10 VanDerWaalsContact O-CG2 3.32Å; L6-V10 WeakPolarHBondContact O-CG2 3.15Å; L6-V10 PolarHBondContact O-N 3.25Å
7	L	80.3	Confident	81.3	Confident	103 Å²	103	81.1 Å²	81.1	54%	0.539	47%	0.473	S	S	.	.	H	α-helix	trans	-60.3	-47.5	175.9	-169.2	91.5	0	0	0	110.9	P3 V4 F9 V10 M11	P3-L7 PolarHBondContact O-N 3.44Å; V4-L7 PolarHBondContact O-N 3.08Å; L7-F9 VanDerWaalsContact C-N 3.33Å; L7-F9 PolarHBondContact O-N 3.26Å; L7-V10 PolarHBondContact O-N 3.5Å; L7-M11 WeakPolarHBondContact O-CB 3.23Å; L7-M11 VanDerWaalsContact O-CG 3.24Å; L7-M11 WeakPolarHBondContact O-CG 3.43Å; L7-M11 PolarHBondContact O-N 3.04Å
8	V	83.8	Confident	81.6	Confident	88 Å²	88	82.6 Å²	82.6	53%	0.533	47%	0.471	S	S	.	.	H	α-helix	trans	-60.8	-43.4	177.3	171	0	0	0	0	110.6	V4 M11 A12	V4-V8 HydrophobicContact CG1-CG2 4.15Å; V4-V8 WeakPolarHBondContact O-CB 3.42Å; V4-V8 VanDerWaalsContact O-CG2 3.24Å; V4-V8 WeakPolarHBondContact O-CG2 3.39Å; V4-V8 PolarHBondContact O-N 3.12Å; V8-M11 PolarHBondContact O-N 2.9Å; V8-A12 WeakPolarHBondContact O-CB 3.48Å; V8-A12 PolarHBondContact O-N 3.19Å
9	F	87.1	Confident	81.9	Confident	159 Å²	159	83.7 Å²	83.7	70%	0.697	47%	0.474	S	S	*	.	H	α-helix	trans	-63.5	-45.7	178.5	-172.9	-96.1	0	0	0	112.6	S5 L6 L7 A12 G13	S5-F9 WeakPolarHBondContact O-CB 3.43Å; S5-F9 PolarHBondContact O-N 3.4Å; L6-F9 PolarHBondContact O-N 3.19Å; L7-F9 VanDerWaalsContact C-N 3.33Å; L7-F9 PolarHBondContact O-N 3.26Å; F9-A12 PolarHBondContact O-N 3.22Å; F9-G13 PolarHBondContact O-N 3.46Å
10	V	84.9	Confident	82.2	Confident	35 Å²	35	81.9 Å²	81.9	21%	0.212	47%	0.47	C	S	.	.	H	α-helix	trans	-63.8	-46	177.9	170	0	0	0	0	111	L6 L7 G13 W14 V170 V171	L6-V10 VanDerWaalsContact O-CG2 3.32Å; L6-V10 WeakPolarHBondContact O-CG2 3.15Å; L6-V10 PolarHBondContact O-N 3.25Å; L7-V10 PolarHBondContact O-N 3.5Å; V10-G13 PolarHBondContact O-N 3.17Å; V10-W14 VanDerWaalsContact O-CD1 3.31Å; V10-W14 PolarHBondContact O-N 3.34Å; V10-V170 HydrophobicContact CG1-CG1 4.21Å; V10-V171 HydrophobicContact CG1-CG1 3.82Å; V10-V171 HydrophobicContact CG2-CG1 4.22Å
11	M	86.6	Confident	82.5	Confident	76 Å²	76	78.4 Å²	78.4	37%	0.374	45%	0.45	S	S	.	.	H	α-helix	trans	-64.7	-42.7	178.7	-69.4	-61.9	-69.3	0	0	111.6	L7 V8 G13 W14 C15 F48	L7-M11 WeakPolarHBondContact O-CB 3.23Å; L7-M11 VanDerWaalsContact O-CG 3.24Å; L7-M11 WeakPolarHBondContact O-CG 3.43Å; L7-M11 PolarHBondContact O-N 3.04Å; V8-M11 PolarHBondContact O-N 2.9Å; M11-G13 VanDerWaalsContact C-N 3.32Å; M11-G13 PolarHBondContact O-N 3.36Å; M11-W14 PolarHBondContact O-N 3.47Å; M11-C15 WeakPolarHBondContact O-CB 3.49Å; M11-C15 PolarHBondContact O-N 3.21Å; M11-C15 PolarHBondContact O-SG 3.05Å; M11-F48 HydrophobicContact CE-CD1 4.48Å; M11-F48 HydrophobicContact CE-CE1 3.45Å; M11-F48 VanDerWaalsContact CE-CE1 3.45Å; M11-F48 HydrophobicContact CE-CZ 3.5Å; M11-F48 VanDerWaalsContact CE-CZ 3.5Å; M11-F48 HydrophobicContact SD-CD1 4.34Å; M11-F48 HydrophobicContact SD-CE1 3.73Å; M11-F48 HydrophobicContact SD-CZ 4.37Å
12	A	87.3	Confident	84.2	Confident	56 Å²	56	71.3 Å²	71.3	46%	0.463	42%	0.418	S	S	.	.	H	α-helix	trans	-61.3	-40.8	174.6	0	0	0	0	0	111.9	V8 F9 C15 A16	V8-A12 WeakPolarHBondContact O-CB 3.48Å; V8-A12 PolarHBondContact O-N 3.19Å; F9-A12 PolarHBondContact O-N 3.22Å; A12-C15 PolarHBondContact O-N 3.03Å; A12-A16 WeakPolarHBondContact O-CB 3.42Å; A12-A16 PolarHBondContact O-N 2.99Å
13	G	89.4	Confident	85.2	Confident	36 Å²	36	73.3 Å²	73.3	37%	0.371	43%	0.429	S	S	.	.	H	α-helix	trans	-59.5	-46.9	174.6	0	0	0	0	0	112.7	F9 V10 M11 A16 V17	F9-G13 PolarHBondContact O-N 3.46Å; V10-G13 PolarHBondContact O-N 3.17Å; M11-G13 VanDerWaalsContact C-N 3.32Å; M11-G13 PolarHBondContact O-N 3.36Å; G13-A16 WeakPolarHBondContact O-CB 3.48Å; G13-A16 PolarHBondContact O-N 2.98Å; G13-V17 WeakPolarHBondContact O-CG2 3.31Å; G13-V17 PolarHBondContact O-N 2.9Å
14	W	91.1	Very high	85.9	Confident	28 Å²	28	73.7 Å²	73.7	11%	0.106	43%	0.428	C	S	.	.	H	α-helix	trans	-66.7	-38.8	176.4	-82.7	107.3	0	0	0	113.5	V10 M11 A16 V17 Y18 F48 H49 V50 V168 V170	V10-W14 VanDerWaalsContact O-CD1 3.31Å; V10-W14 PolarHBondContact O-N 3.34Å; M11-W14 PolarHBondContact O-N 3.47Å; W14-A16 VanDerWaalsContact C-N 3.3Å; W14-A16 PolarHBondContact O-N 3.25Å; W14-V17 PolarHBondContact O-N 3.4Å; W14-Y18 WeakPolarHBondContact O-CB 3.34Å; W14-Y18 PolarHBondContact O-N 3.16Å; W14-F48 HydrophobicContact CB-CD1 3.52Å; W14-F48 HydrophobicContact CB-CE1 3.67Å; W14-F48 HydrophobicContact CD2-CD1 4.31Å; W14-F48 AromaticContact CG-CD1 3.71Å; W14-F48 HydrophobicContact CG-CD1 3.71Å; W14-F48 HydrophobicContact CG-CE1 4.32Å; W14-F48 VanDerWaalsContact CH2-C 3.49Å; W14-F48 VanDerWaalsContact CZ3-C 3.43Å; W14-H49 VanDerWaalsContact CZ3-N 3.27Å; W14-V50 HydrophobicContact CH2-CB 4.35Å; W14-V50 HydrophobicContact CH2-CG2 3.53Å; W14-V50 HydrophobicContact CZ3-CG2 3.55Å; W14-V168 HydrophobicContact CZ2-CG1 4.25Å; W14-V170 WeakPolarHBondContact CZ2-O 3.21Å; W14-V170 PolarHBondContact NE1-O 2.66Å
15	C	87	Confident	86.5	Confident	60 Å²	60	72.4 Å²	72.4	41%	0.405	41%	0.411	S	S	.	.	H	α-helix	trans	-59.5	-42.7	172.6	-72.8	0	0	0	0	111.1	M11 A12 Y18 L19	M11-C15 WeakPolarHBondContact O-CB 3.49Å; M11-C15 PolarHBondContact O-N 3.21Å; M11-C15 PolarHBondContact O-SG 3.05Å; A12-C15 PolarHBondContact O-N 3.03Å; C15-Y18 PolarHBondContact O-N 2.72Å; C15-L19 VanDerWaalsContact O-CB 3.31Å; C15-L19 WeakPolarHBondContact O-CB 3.48Å; C15-L19 WeakPolarHBondContact O-CG 3.37Å; C15-L19 PolarHBondContact O-N 3.33Å
16	A	90.1	Very high	86.9	Confident	59 Å²	59	72.3 Å²	72.3	49%	0.488	41%	0.41	S	S	.	.	H	α-helix	trans	-63.3	-45.2	176.9	0	0	0	0	0	112.3	A12 G13 W14 L19 A20	A12-A16 WeakPolarHBondContact O-CB 3.42Å; A12-A16 PolarHBondContact O-N 2.99Å; G13-A16 WeakPolarHBondContact O-CB 3.48Å; G13-A16 PolarHBondContact O-N 2.98Å; W14-A16 VanDerWaalsContact C-N 3.3Å; W14-A16 PolarHBondContact O-N 3.25Å; A16-L19 PolarHBondContact O-N 3.21Å; A16-A20 VanDerWaalsContact O-CB 3.32Å; A16-A20 WeakPolarHBondContact O-CB 3.32Å; A16-A20 PolarHBondContact O-N 2.92Å
17	V	88.6	Confident	87.3	Confident	65 Å²	65	70.3 Å²	70.3	39%	0.394	40%	0.402	S	S	.	.	H	α-helix	trans	-61.3	-45.7	176.8	172.1	0	0	0	0	111.4	G13 W14 A20 D21 L45	G13-V17 WeakPolarHBondContact O-CG2 3.31Å; G13-V17 PolarHBondContact O-N 2.9Å; W14-V17 PolarHBondContact O-N 3.4Å; V17-A20 PolarHBondContact O-N 2.85Å; V17-D21 PolarHBondContact O-N 3.43Å; V17-L45 HydrophobicContact CG1-CD2 4.28Å
18	Y	87.1	Confident	87.3	Confident	107 Å²	107	70.5 Å²	70.5	42%	0.42	42%	0.419	S	S	.	.	H	α-helix	trans	-67.4	-42	-180	179.6	-104.3	0	0	0	112.6	W14 C15 A20 D21 T22 P47	W14-Y18 WeakPolarHBondContact O-CB 3.34Å; W14-Y18 PolarHBondContact O-N 3.16Å; C15-Y18 PolarHBondContact O-N 2.72Å; Y18-A20 VanDerWaalsContact C-N 3.34Å; Y18-D21 PolarHBondContact O-N 2.93Å; Y18-T22 WeakPolarHBondContact O-CB 3.49Å; Y18-T22 PolarHBondContact O-N 3.39Å; Y18-T22 PolarHBondContact O-OG1 3.22Å; Y18-P47 HydrophobicContact CD2-CB 4.5Å; Y18-P47 HydrophobicContact CD2-CG 4.06Å; Y18-P47 HydrophobicContact CE2-CG 3.65Å
19	L	87.6	Confident	87.2	Confident	104 Å²	104	71.6 Å²	71.6	55%	0.545	43%	0.426	S	S	.	.	H	α-helix	trans	-63	-41.9	175	-73.9	170.3	0	0	0	111	C15 A16 T22 L23	C15-L19 VanDerWaalsContact O-CB 3.31Å; C15-L19 WeakPolarHBondContact O-CB 3.48Å; C15-L19 WeakPolarHBondContact O-CG 3.37Å; C15-L19 PolarHBondContact O-N 3.33Å; A16-L19 PolarHBondContact O-N 3.21Å; L19-T22 PolarHBondContact O-N 2.78Å; L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 WeakPolarHBondContact O-CG 3.4Å; L19-L23 PolarHBondContact O-N 3.48Å
20	A	88.3	Confident	87.1	Confident	47 Å²	47	68.8 Å²	68.8	39%	0.388	42%	0.415	S	S	.	.	H	α-helix	trans	-62.4	-46.5	175.7	0	0	0	0	0	112.3	A16 V17 Y18 T22 L23 L24	A16-A20 VanDerWaalsContact O-CB 3.32Å; A16-A20 WeakPolarHBondContact O-CB 3.32Å; A16-A20 PolarHBondContact O-N 2.92Å; V17-A20 PolarHBondContact O-N 2.85Å; Y18-A20 VanDerWaalsContact C-N 3.34Å; A20-T22 VanDerWaalsContact C-N 3.35Å; A20-T22 PolarHBondContact O-N 3.17Å; A20-L23 PolarHBondContact O-N 3.47Å; A20-L24 WeakPolarHBondContact O-CB 3.31Å; A20-L24 VanDerWaalsContact O-CG 3.29Å; A20-L24 WeakPolarHBondContact O-CG 3.49Å; A20-L24 PolarHBondContact O-N 3.2Å
21	D	89.1	Confident	87.2	Confident	10 Å²	10	73.3 Å²	73.3	5%	0.053	43%	0.428	C	S	.	.	H	α-helix	trans	-59.7	-44.9	175.8	-175.3	68.2	0	0	0	111.6	V17 Y18 L24 R25 Y34 L45	V17-D21 PolarHBondContact O-N 3.43Å; Y18-D21 PolarHBondContact O-N 2.93Å; D21-L24 PolarHBondContact O-N 3.27Å; D21-R25 WeakPolarHBondContact O-CB 3.35Å; D21-R25 VanDerWaalsContact O-CG 3.29Å; D21-R25 WeakPolarHBondContact O-CG 3.27Å; D21-R25 PolarHBondContact O-N 3.3Å; D21-R25 IonicContact OD1-CZ 2.9Å; D21-R25 IonicContact OD1-NE 3.72Å; D21-R25 PolarHBondContact OD1-NE 3.04Å; D21-R25 IonicContact OD1-NH2 3.92Å; D21-R25 WeakPolarHBondContact OD2-CD 3.17Å; D21-R25 IonicContact OD2-CZ 3.58Å; D21-R25 IonicContact OD2-NE 2.73Å; D21-R25 PolarHBondContact OD2-NE 3.15Å; D21-Y34 WeakPolarHBondContact OD1-CE1 3.43Å; D21-Y34 PolarHBondContact OD1-OH 3.45Å; D21-L45 HydrophobicContact CB-CD1 4.11Å; D21-L45 VanDerWaalsContact OD1-CD1 3.28Å; D21-L45 WeakPolarHBondContact OD1-CD1 3.26Å
22	T	87.1	Confident	87.1	Confident	55 Å²	55	75.6 Å²	75.6	34%	0.337	44%	0.441	S	S	.	.	H	α-helix	trans	-65.2	-41.6	179.4	-53.4	0	0	0	0	111.8	Y18 L19 A20 S26	Y18-T22 WeakPolarHBondContact O-CB 3.49Å; Y18-T22 PolarHBondContact O-N 3.39Å; Y18-T22 PolarHBondContact O-OG1 3.22Å; L19-T22 PolarHBondContact O-N 2.78Å; A20-T22 VanDerWaalsContact C-N 3.35Å; A20-T22 PolarHBondContact O-N 3.17Å; T22-S26 VanDerWaalsContact O-CB 3.3Å; T22-S26 WeakPolarHBondContact O-CB 3.31Å; T22-S26 PolarHBondContact O-N 3.29Å; T22-S26 PolarHBondContact O-OG 3.17Å
23	L	89.1	Confident	87.2	Confident	117 Å²	117	78.6 Å²	78.6	61%	0.613	45%	0.449	S	S	*	.	H	α-helix	trans	-65.6	-41.8	177	-74.9	170.4	0	0	0	111.9	L19 A20 S26 S27	L19-L23 WeakPolarHBondContact O-CB 3.34Å; L19-L23 WeakPolarHBondContact O-CG 3.4Å; L19-L23 PolarHBondContact O-N 3.48Å; A20-L23 PolarHBondContact O-N 3.47Å; L23-S26 WeakPolarHBondContact CA-OG 3.5Å; L23-S26 PolarHBondContact O-N 3.42Å; L23-S26 PolarHBondContact O-OG 3.33Å; L23-S27 WeakPolarHBondContact O-CB 3.33Å; L23-S27 PolarHBondContact O-N 3.44Å
24	L	88.8	Confident	87.1	Confident	66 Å²	66	78.5 Å²	78.5	35%	0.346	44%	0.437	S	S	.	.	H	α-helix	trans	-69.6	-36.9	178.5	-70.4	171.1	0	0	0	112.2	A20 D21 Y34	A20-L24 WeakPolarHBondContact O-CB 3.31Å; A20-L24 VanDerWaalsContact O-CG 3.29Å; A20-L24 WeakPolarHBondContact O-CG 3.49Å; A20-L24 PolarHBondContact O-N 3.2Å; D21-L24 PolarHBondContact O-N 3.27Å; L24-Y34 HydrophobicContact CB-CD1 3.57Å; L24-Y34 HydrophobicContact CB-CD2 4.21Å; L24-Y34 HydrophobicContact CB-CE1 3.74Å; L24-Y34 HydrophobicContact CB-CE2 4.38Å; L24-Y34 HydrophobicContact CB-CG 3.81Å; L24-Y34 HydrophobicContact CD1-CD2 3.81Å; L24-Y34 HydrophobicContact CD1-CE1 4.34Å; L24-Y34 HydrophobicContact CD1-CE2 3.59Å; L24-Y34 HydrophobicContact CD1-CG 4.28Å
25	R	87.3	Confident	86.9	Confident	85 Å²	85	81 Å²	81	32%	0.321	45%	0.45	S	S	.	.	H	α-helix	trans	-71.1	-29.7	174	-72.2	175.7	-176.9	-87	4.1	113.5	D21 R31 Y34 E35 L38	D21-R25 WeakPolarHBondContact O-CB 3.35Å; D21-R25 VanDerWaalsContact O-CG 3.29Å; D21-R25 WeakPolarHBondContact O-CG 3.27Å; D21-R25 PolarHBondContact O-N 3.3Å; D21-R25 IonicContact OD1-CZ 2.9Å; D21-R25 IonicContact OD1-NE 3.72Å; D21-R25 PolarHBondContact OD1-NE 3.04Å; D21-R25 IonicContact OD1-NH2 3.92Å; D21-R25 WeakPolarHBondContact OD2-CD 3.17Å; D21-R25 IonicContact OD2-CZ 3.58Å; D21-R25 IonicContact OD2-NE 2.73Å; D21-R25 PolarHBondContact OD2-NE 3.15Å; R25-R31 VanDerWaalsContact O-CD 3.24Å; R25-R31 WeakPolarHBondContact O-CD 3.42Å; R25-R31 WeakPolarHBondContact O-CG 3.41Å; R25-Y34 HydrophobicContact CG-CD1 4.13Å; R25-Y34 HydrophobicContact CG-CE1 4.02Å; R25-E35 IonicContact NH1-OE1 3.64Å; R25-L38 VanDerWaalsContact NH2-CD1 3.29Å
26	S	85.8	Confident	86.8	Confident	87 Å²	87	81.7 Å²	81.7	61%	0.608	46%	0.456	S	S	*	.	H	α-helix	trans	-87.8	-11.8	177.2	56.7	0	0	0	0	113.9	T22 L23 A28	T22-S26 VanDerWaalsContact O-CB 3.3Å; T22-S26 WeakPolarHBondContact O-CB 3.31Å; T22-S26 PolarHBondContact O-N 3.29Å; T22-S26 PolarHBondContact O-OG 3.17Å; L23-S26 WeakPolarHBondContact CA-OG 3.5Å; L23-S26 PolarHBondContact O-N 3.42Å; L23-S26 PolarHBondContact O-OG 3.33Å; S26-A28 PolarHBondContact O-N 2.97Å
27	S	87.2	Confident	86.8	Confident	33 Å²	33	84.8 Å²	84.8	23%	0.231	46%	0.455	C	S	.	.			trans	-70.2	121	177.1	-176.3	0	0	0	0	112.3	L23 T29 H30 R31	L23-S27 WeakPolarHBondContact O-CB 3.33Å; L23-S27 PolarHBondContact O-N 3.44Å; S27-T29 PolarHBondContact O-N 3.06Å; S27-T29 PolarHBondContact OG-OG1 3.15Å; S27-H30 PolarHBondContact O-N 2.85Å; S27-H30 PolarHBondContact OG-N 2.99Å; S27-H30 PolarHBondContact OG-ND1 3.29Å; S27-R31 VanDerWaalsContact O-CB 3.27Å; S27-R31 WeakPolarHBondContact O-CB 3.28Å; S27-R31 PolarHBondContact O-N 3.47Å; S27-R31 VanDerWaalsContact O-N 3.1Å
28	A	80.1	Confident	86.8	Confident	108 Å²	108	81.9 Å²	81.9	89%	0.893	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-31.5	177	0	0	0	0	0	113.5	S26	S26-A28 PolarHBondContact O-N 2.97Å
29	T	82.4	Confident	86.6	Confident	110 Å²	110	80.5 Å²	80.5	68%	0.675	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-34.4	-178.8	23	0	0	0	0	114.4	S27	S27-T29 PolarHBondContact O-N 3.06Å; S27-T29 PolarHBondContact OG-OG1 3.15Å
30	H	84.3	Confident	86.4	Confident	101 Å²	101	79.7 Å²	79.7	47%	0.468	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-13.6	-167.7	-63.9	87.9	0	0	0	114.3	S27 I32 N33 Y34	S27-H30 PolarHBondContact O-N 2.85Å; S27-H30 PolarHBondContact OG-N 2.99Å; S27-H30 PolarHBondContact OG-ND1 3.29Å; H30-I32 PolarHBondContact O-N 2.81Å; H30-N33 PolarHBondContact O-N 3.29Å; H30-Y34 VanDerWaalsContact O-CB 3.3Å; H30-Y34 WeakPolarHBondContact O-CB 3.46Å; H30-Y34 PolarHBondContact O-N 2.88Å
31	R	87.3	Confident	86.3	Confident	129 Å²	129	85 Å²	85	49%	0.487	46%	0.461	S	S	.	.	H	α-helix	trans	-52.2	-51.9	-175.5	-179.1	-177.4	70.3	170.2	1.7	113.4	R25 S27 N33 Y34 E35	R25-R31 VanDerWaalsContact O-CD 3.24Å; R25-R31 WeakPolarHBondContact O-CD 3.42Å; R25-R31 WeakPolarHBondContact O-CG 3.41Å; S27-R31 VanDerWaalsContact O-CB 3.27Å; S27-R31 WeakPolarHBondContact O-CB 3.28Å; S27-R31 PolarHBondContact O-N 3.47Å; S27-R31 VanDerWaalsContact O-N 3.1Å; R31-N33 PolarHBondContact O-N 3.42Å; R31-Y34 PolarHBondContact O-N 2.98Å; R31-E35 HydrophobicContact CG-CG 4.31Å; R31-E35 WeakPolarHBondContact O-CB 3.4Å; R31-E35 WeakPolarHBondContact O-CG 3.41Å; R31-E35 PolarHBondContact O-N 2.83Å
32	I	84.9	Confident	86.1	Confident	125 Å²	125	85.5 Å²	85.5	64%	0.641	47%	0.469	S	S	*	.	H	α-helix	trans	-63.8	-44.6	-175	-63.2	172	0	0	0	110.9	H30 S36	H30-I32 PolarHBondContact O-N 2.81Å; I32-S36 WeakPolarHBondContact O-CB 3.43Å; I32-S36 PolarHBondContact O-N 2.88Å
33	N	87.7	Confident	86.2	Confident	119 Å²	119	85 Å²	85	64%	0.636	46%	0.464	S	S	*	.	H	α-helix	trans	-67.4	-39.4	179.2	-70.2	-18.4	0	0	0	111.6	H30 R31 W37	H30-N33 PolarHBondContact O-N 3.29Å; R31-N33 PolarHBondContact O-N 3.42Å; N33-W37 WeakPolarHBondContact O-CB 3.1Å; N33-W37 PolarHBondContact O-N 3.16Å
34	Y	87.8	Confident	86.1	Confident	33 Å²	33	85 Å²	85	13%	0.129	46%	0.462	C	S	.	.	H	α-helix	trans	-71.1	-43.4	179.1	-179.6	-114.1	0	0	0	112.6	D21 L24 R25 H30 R31 W37 L38 L45	D21-Y34 WeakPolarHBondContact OD1-CE1 3.43Å; D21-Y34 PolarHBondContact OD1-OH 3.45Å; L24-Y34 HydrophobicContact CB-CD1 3.57Å; L24-Y34 HydrophobicContact CB-CD2 4.21Å; L24-Y34 HydrophobicContact CB-CE1 3.74Å; L24-Y34 HydrophobicContact CB-CE2 4.38Å; L24-Y34 HydrophobicContact CB-CG 3.81Å; L24-Y34 HydrophobicContact CD1-CD2 3.81Å; L24-Y34 HydrophobicContact CD1-CE1 4.34Å; L24-Y34 HydrophobicContact CD1-CE2 3.59Å; L24-Y34 HydrophobicContact CD1-CG 4.28Å; R25-Y34 HydrophobicContact CG-CD1 4.13Å; R25-Y34 HydrophobicContact CG-CE1 4.02Å; H30-Y34 VanDerWaalsContact O-CB 3.3Å; H30-Y34 WeakPolarHBondContact O-CB 3.46Å; H30-Y34 PolarHBondContact O-N 2.88Å; R31-Y34 PolarHBondContact O-N 2.98Å; Y34-W37 HydrophobicContact CD2-CE3 4.25Å; Y34-W37 HydrophobicContact CE2-CE3 4.11Å; Y34-W37 HydrophobicContact CE2-CZ3 4.22Å; Y34-W37 WeakPolarHBondContact O-CB 3.39Å; Y34-W37 PolarHBondContact O-N 2.82Å; Y34-L38 HydrophobicContact CD1-CD1 4.06Å; Y34-L38 HydrophobicContact CE1-CD1 3.51Å; Y34-L38 HydrophobicContact CE1-CG 4.25Å; Y34-L38 HydrophobicContact CE2-CD1 4.31Å; Y34-L38 HydrophobicContact CE2-CD2 4.44Å; Y34-L38 HydrophobicContact CE2-CG 4.18Å; Y34-L38 WeakPolarHBondContact O-CG 3.4Å; Y34-L38 PolarHBondContact O-N 2.73Å; Y34-L45 VanDerWaalsContact OH-CD1 3.26Å; Y34-L45 WeakPolarHBondContact OH-CD1 3.29Å
35	E	86.5	Confident	86.1	Confident	80 Å²	80	83.9 Å²	83.9	37%	0.374	46%	0.456	S	S	.	.	H	α-helix	trans	-66.8	-39	175.5	-72.3	-175.5	156.3	0	0	111.8	R25 R31 W37 L38 A39	R25-E35 IonicContact NH1-OE1 3.64Å; R31-E35 HydrophobicContact CG-CG 4.31Å; R31-E35 WeakPolarHBondContact O-CB 3.4Å; R31-E35 WeakPolarHBondContact O-CG 3.41Å; R31-E35 PolarHBondContact O-N 2.83Å; E35-W37 VanDerWaalsContact C-N 3.34Å; E35-L38 PolarHBondContact O-N 2.97Å; E35-A39 VanDerWaalsContact O-CB 3.3Å; E35-A39 WeakPolarHBondContact O-CB 3.34Å; E35-A39 PolarHBondContact O-N 3Å
36	S	86.6	Confident	86	Confident	76 Å²	76	82.1 Å²	82.1	53%	0.531	46%	0.457	S	S	.	.	H	α-helix	trans	-63.8	-39.2	171.5	-174.9	0	0	0	0	111.8	I32 A39 S40	I32-S36 WeakPolarHBondContact O-CB 3.43Å; I32-S36 PolarHBondContact O-N 2.88Å; S36-A39 PolarHBondContact O-N 3.25Å; S36-S40 VanDerWaalsContact O-CB 3.24Å; S36-S40 WeakPolarHBondContact O-CB 3.36Å; S36-S40 PolarHBondContact O-N 3.21Å; S36-S40 PolarHBondContact O-OG 3.37Å
37	W	89.5	Confident	86	Confident	123 Å²	123	81.5 Å²	81.5	47%	0.466	45%	0.451	S	S	.	.	H	α-helix	trans	-64.2	-46.8	175	179.5	88.7	0	0	0	112	N33 Y34 E35 A39 S40 R41 L43	N33-W37 WeakPolarHBondContact O-CB 3.1Å; N33-W37 PolarHBondContact O-N 3.16Å; Y34-W37 HydrophobicContact CD2-CE3 4.25Å; Y34-W37 HydrophobicContact CE2-CE3 4.11Å; Y34-W37 HydrophobicContact CE2-CZ3 4.22Å; Y34-W37 WeakPolarHBondContact O-CB 3.39Å; Y34-W37 PolarHBondContact O-N 2.82Å; E35-W37 VanDerWaalsContact C-N 3.34Å; W37-A39 PolarHBondContact O-N 2.86Å; W37-S40 WeakPolarHBondContact CA-OG 3.33Å; W37-S40 PolarHBondContact O-N 3.45Å; W37-S40 PolarHBondContact O-OG 3.31Å; W37-R41 WeakPolarHBondContact O-CB 3.36Å; W37-R41 WeakPolarHBondContact O-CG 3.1Å; W37-R41 PolarHBondContact O-N 3.11Å; W37-L43 HydrophobicContact CH2-CD1 3.8Å; W37-L43 HydrophobicContact CZ3-CD1 3.98Å
38	L	87.6	Confident	85.9	Confident	5 Å²	5	83.3 Å²	83.3	3%	0.026	46%	0.455	C	S	.	.	H	α-helix	trans	-60.4	-46.8	175.6	-75.5	175.9	0	0	0	111.4	R25 Y34 E35 R41 G42 L43 L45	R25-L38 VanDerWaalsContact NH2-CD1 3.29Å; Y34-L38 HydrophobicContact CD1-CD1 4.06Å; Y34-L38 HydrophobicContact CE1-CD1 3.51Å; Y34-L38 HydrophobicContact CE1-CG 4.25Å; Y34-L38 HydrophobicContact CE2-CD1 4.31Å; Y34-L38 HydrophobicContact CE2-CD2 4.44Å; Y34-L38 HydrophobicContact CE2-CG 4.18Å; Y34-L38 WeakPolarHBondContact O-CG 3.4Å; Y34-L38 PolarHBondContact O-N 2.73Å; E35-L38 PolarHBondContact O-N 2.97Å; L38-R41 CarbonylContact O-C 3.56Å; L38-R41 PolarHBondContact O-N 3.47Å; L38-G42 PolarHBondContact O-N 3.02Å; L38-L43 HydrophobicContact CD2-CB 3.67Å; L38-L43 HydrophobicContact CD2-CD1 4.47Å; L38-L43 PolarHBondContact O-N 3.47Å; L38-L45 HydrophobicContact CD2-CD1 4.01Å
39	A	83.3	Confident	86.4	Confident	77 Å²	77	80.6 Å²	80.6	64%	0.636	42%	0.423	S	S	*	.	H	α-helix	trans	-64.9	-43	178.9	0	0	0	0	0	112.5	E35 S36 W37 R41 G42	E35-A39 VanDerWaalsContact O-CB 3.3Å; E35-A39 WeakPolarHBondContact O-CB 3.34Å; E35-A39 PolarHBondContact O-N 3Å; S36-A39 PolarHBondContact O-N 3.25Å; W37-A39 PolarHBondContact O-N 2.86Å; A39-R41 VanDerWaalsContact C-N 3.28Å; A39-R41 PolarHBondContact O-N 2.9Å; A39-G42 PolarHBondContact O-N 3.35Å
40	S	84.6	Confident	86.7	Confident	87 Å²	87	77.3 Å²	77.3	61%	0.608	40%	0.403	S	S	*	.	H	α-helix	trans	-68	-26.5	178.9	64.1	0	0	0	0	113.4	S36 W37	S36-S40 VanDerWaalsContact O-CB 3.24Å; S36-S40 WeakPolarHBondContact O-CB 3.36Å; S36-S40 PolarHBondContact O-N 3.21Å; S36-S40 PolarHBondContact O-OG 3.37Å; W37-S40 WeakPolarHBondContact CA-OG 3.33Å; W37-S40 PolarHBondContact O-N 3.45Å; W37-S40 PolarHBondContact O-OG 3.31Å
41	R	85.1	Confident	87	Confident	158 Å²	158	76.3 Å²	76.3	60%	0.596	40%	0.395	S	S	*	.	H	α-helix	trans	-94.1	-4.6	175.2	-63.2	-65.1	-173.5	171.9	0.8	113.6	W37 L38 A39 L43 W52	W37-R41 WeakPolarHBondContact O-CB 3.36Å; W37-R41 WeakPolarHBondContact O-CG 3.1Å; W37-R41 PolarHBondContact O-N 3.11Å; L38-R41 CarbonylContact O-C 3.56Å; L38-R41 PolarHBondContact O-N 3.47Å; A39-R41 VanDerWaalsContact C-N 3.28Å; A39-R41 PolarHBondContact O-N 2.9Å; R41-L43 VanDerWaalsContact C-N 3.3Å; R41-L43 HydrophobicContact CB-CD1 4.05Å; R41-L43 HydrophobicContact CB-CG 4.17Å; R41-L43 PolarHBondContact O-N 2.97Å; R41-W52 VanDerWaalsContact O-CD1 3.23Å; R41-W52 PolarHBondContact O-NE1 3.23Å; R41-W52 VanDerWaalsContact O-NE1 3.15Å
42	G	85.3	Confident	87.3	Confident	22 Å²	22	74 Å²	74	23%	0.227	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	28.6	-178.1	0	0	0	0	0	113.7	L38 A39 W52 Q53	L38-G42 PolarHBondContact O-N 3.02Å; A39-G42 PolarHBondContact O-N 3.35Å; G42-W52 CarbonylContact O-C 3.34Å; G42-W52 WeakPolarHBondContact O-CA 3.36Å; G42-Q53 PolarHBondContact O-N 3.49Å
43	L	88.9	Confident	87.5	Confident	44 Å²	44	70.4 Å²	70.4	23%	0.23	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	133.9	-178.6	-71.2	170.1	0	0	0	111.2	W37 L38 R41 V50 R51 W52	W37-L43 HydrophobicContact CH2-CD1 3.8Å; W37-L43 HydrophobicContact CZ3-CD1 3.98Å; L38-L43 HydrophobicContact CD2-CB 3.67Å; L38-L43 HydrophobicContact CD2-CD1 4.47Å; L38-L43 PolarHBondContact O-N 3.47Å; R41-L43 VanDerWaalsContact C-N 3.3Å; R41-L43 HydrophobicContact CB-CD1 4.05Å; R41-L43 HydrophobicContact CB-CG 4.17Å; R41-L43 PolarHBondContact O-N 2.97Å; L43-V50 HydrophobicContact CD2-CG1 4.48Å; L43-R51 CarbonylContact C-O 3.4Å; L43-R51 WeakPolarHBondContact CA-O 3.26Å; L43-W52 HydrophobicContact CD2-CB 3.84Å; L43-W52 HydrophobicContact CD2-CG 4.15Å
44	M	87.8	Confident	87.5	Confident	116 Å²	116	65.9 Å²	65.9	57%	0.571	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.5	125.4	171.7	-62.7	-179.7	71.4	0	0	109	R51	M44-R51 HydrophobicContact CB-CB 4.29Å; M44-R51 PolarHBondContact N-O 3.23Å; M44-R51 PolarHBondContact O-N 3.49Å
45	L	88.5	Confident	87.5	Confident	44 Å²	44	68.8 Å²	68.8	23%	0.23	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	137.4	179.3	-67.8	162.2	0	0	0	109.4	V17 D21 Y34 L38 V50	V17-L45 HydrophobicContact CG1-CD2 4.28Å; D21-L45 HydrophobicContact CB-CD1 4.11Å; D21-L45 VanDerWaalsContact OD1-CD1 3.28Å; D21-L45 WeakPolarHBondContact OD1-CD1 3.26Å; Y34-L45 VanDerWaalsContact OH-CD1 3.26Å; Y34-L45 WeakPolarHBondContact OH-CD1 3.29Å; L38-L45 HydrophobicContact CD2-CD1 4.01Å; L45-V50 HydrophobicContact CD2-CB 3.99Å; L45-V50 HydrophobicContact CD2-CG1 3.75Å; L45-V50 HydrophobicContact CD2-CG2 3.34Å
46	S	85.9	Confident	87.5	Confident	47 Å²	47	71.6 Å²	71.6	33%	0.329	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	163.2	176.4	48.7	0	0	0	0	108.9	F48 H49	S46-F48 PolarHBondContact O-N 3.5Å; S46-F48 VanDerWaalsContact O-N 3.12Å; S46-H49 PolarHBondContact N-O 3.17Å; S46-H49 CarbonylContact O-C 3.52Å; S46-H49 PolarHBondContact O-N 3.4Å; S46-H49 VanDerWaalsContact OG-CB 3.27Å; S46-H49 WeakPolarHBondContact OG-CB 3.33Å; S46-H49 PolarHBondContact OG-ND1 3.03Å; S46-H49 PolarHBondContact OG-O 2.95Å
47	P	84.8	Confident	87.4	Confident	74 Å²	74	71.5 Å²	71.5	48%	0.481	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	123.1	-179.4	-26.1	33.8	0	0	0	111.7	Y18 H49	Y18-P47 HydrophobicContact CD2-CB 4.5Å; Y18-P47 HydrophobicContact CD2-CG 4.06Å; Y18-P47 HydrophobicContact CE2-CG 3.65Å; P47-H49 PolarHBondContact O-N 3.46Å; P47-H49 VanDerWaalsContact O-N 3.15Å
48	F	86.1	Confident	87.3	Confident	71 Å²	71	67.2 Å²	67.2	31%	0.311	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	18.2	-177.9	-52	-73.8	0	0	0	115.8	M11 W14 S46 F169 V170	M11-F48 HydrophobicContact CE-CD1 4.48Å; M11-F48 HydrophobicContact CE-CE1 3.45Å; M11-F48 VanDerWaalsContact CE-CE1 3.45Å; M11-F48 HydrophobicContact CE-CZ 3.5Å; M11-F48 VanDerWaalsContact CE-CZ 3.5Å; M11-F48 HydrophobicContact SD-CD1 4.34Å; M11-F48 HydrophobicContact SD-CE1 3.73Å; M11-F48 HydrophobicContact SD-CZ 4.37Å; W14-F48 HydrophobicContact CB-CD1 3.52Å; W14-F48 HydrophobicContact CB-CE1 3.67Å; W14-F48 HydrophobicContact CD2-CD1 4.31Å; W14-F48 AromaticContact CG-CD1 3.71Å; W14-F48 HydrophobicContact CG-CD1 3.71Å; W14-F48 HydrophobicContact CG-CE1 4.32Å; W14-F48 VanDerWaalsContact CH2-C 3.49Å; W14-F48 VanDerWaalsContact CZ3-C 3.43Å; S46-F48 PolarHBondContact O-N 3.5Å; S46-F48 VanDerWaalsContact O-N 3.12Å; F48-F169 CarbonylContact O-C 3.56Å; F48-F169 WeakPolarHBondContact O-CA 3.5Å; F48-V170 HydrophobicContact CB-CG2 4.01Å; F48-V170 PolarHBondContact O-N 2.77Å
49	H	88.9	Confident	87.2	Confident	51 Å²	51	77.5 Å²	77.5	24%	0.236	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	117.3	-171.6	-177.7	-152.9	0	0	0	112.5	W14 S46 P47 F167 V168 F169	W14-H49 VanDerWaalsContact CZ3-N 3.27Å; S46-H49 PolarHBondContact N-O 3.17Å; S46-H49 CarbonylContact O-C 3.52Å; S46-H49 PolarHBondContact O-N 3.4Å; S46-H49 VanDerWaalsContact OG-CB 3.27Å; S46-H49 WeakPolarHBondContact OG-CB 3.33Å; S46-H49 PolarHBondContact OG-ND1 3.03Å; S46-H49 PolarHBondContact OG-O 2.95Å; P47-H49 PolarHBondContact O-N 3.46Å; P47-H49 VanDerWaalsContact O-N 3.15Å; H49-F167 AromaticContact NE2-CD2 3.68Å; H49-F167 AromaticContact NE2-CG 3.8Å; H49-V168 WeakPolarHBondContact CA-O 3.46Å; H49-F169 HydrophobicContact CB-CD2 4.06Å
50	V	90.3	Very high	87.3	Confident	41 Å²	41	78.1 Å²	78.1	25%	0.248	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.5	171.8	-176.7	0	0	0	0	108.9	W14 L43 L45 F167 V168	W14-V50 HydrophobicContact CH2-CB 4.35Å; W14-V50 HydrophobicContact CH2-CG2 3.53Å; W14-V50 HydrophobicContact CZ3-CG2 3.55Å; L43-V50 HydrophobicContact CD2-CG1 4.48Å; L45-V50 HydrophobicContact CD2-CB 3.99Å; L45-V50 HydrophobicContact CD2-CG1 3.75Å; L45-V50 HydrophobicContact CD2-CG2 3.34Å; V50-F167 CarbonylContact O-C 3.51Å; V50-F167 WeakPolarHBondContact O-CA 3.5Å; V50-F167 WeakPolarHBondContact O-CB 3.46Å; V50-V168 PolarHBondContact N-O 3.23Å; V50-V168 PolarHBondContact O-N 3.49Å
51	R	90.8	Very high	87.6	Confident	81 Å²	81	74.3 Å²	74.3	31%	0.306	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	136.9	176.4	-178.8	177.7	175	165.5	-3.9	110	L43 M44 F167 F176	L43-R51 CarbonylContact C-O 3.4Å; L43-R51 WeakPolarHBondContact CA-O 3.26Å; M44-R51 HydrophobicContact CB-CB 4.29Å; M44-R51 PolarHBondContact N-O 3.23Å; M44-R51 PolarHBondContact O-N 3.49Å; R51-F167 HydrophobicContact CB-CB 4.34Å; R51-F176 HydrophobicContact CG-CE1 3.57Å; R51-F176 HydrophobicContact CG-CZ 3.86Å
52	W	92.3	Very high	87.6	Confident	79 Å²	79	68.3 Å²	68.3	30%	0.299	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.3	174.8	175.1	67.8	0	0	0	109.6	R41 G42 L43 T54 G165 M166	R41-W52 VanDerWaalsContact O-CD1 3.23Å; R41-W52 PolarHBondContact O-NE1 3.23Å; R41-W52 VanDerWaalsContact O-NE1 3.15Å; G42-W52 CarbonylContact O-C 3.34Å; G42-W52 WeakPolarHBondContact O-CA 3.36Å; L43-W52 HydrophobicContact CD2-CB 3.84Å; L43-W52 HydrophobicContact CD2-CG 4.15Å; W52-T54 HydrophobicContact CH2-CG2 3.41Å; W52-T54 VanDerWaalsContact CH2-CG2 3.41Å; W52-T54 HydrophobicContact CZ2-CG2 3.76Å; W52-T54 HydrophobicContact CZ3-CG2 3.94Å; W52-G165 CarbonylContact O-C 3.55Å; W52-G165 WeakPolarHBondContact O-CA 3.46Å; W52-M166 HydrophobicContact CE3-CB 4.4Å; W52-M166 HydrophobicContact CE3-CE 3.69Å; W52-M166 HydrophobicContact CE3-CG 4.45Å; W52-M166 HydrophobicContact CZ3-CE 3.69Å; W52-M166 PolarHBondContact N-O 3.03Å; W52-M166 PolarHBondContact O-N 2.97Å
53	Q	90.1	Very high	87.6	Confident	51 Å²	51	74.5 Å²	74.5	24%	0.238	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	139.9	179.7	-174.9	168	-14	0	0	111.2	G42 F176 D178	G42-Q53 PolarHBondContact O-N 3.49Å; Q53-F176 HydrophobicContact CB-CZ 4.11Å; Q53-F176 HydrophobicContact CG-CE2 4.44Å; Q53-F176 HydrophobicContact CG-CZ 4.33Å; Q53-D178 PolarHBondContact NE2-OD2 2.79Å
54	T	87.8	Confident	87.5	Confident	24 Å²	24	74.3 Å²	74.3	15%	0.147	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	151.4	176	-173.7	0	0	0	0	111.9	W52 M56 F57 G163 F164	W52-T54 HydrophobicContact CH2-CG2 3.41Å; W52-T54 VanDerWaalsContact CH2-CG2 3.41Å; W52-T54 HydrophobicContact CZ2-CG2 3.76Å; W52-T54 HydrophobicContact CZ3-CG2 3.94Å; T54-M56 HydrophobicContact CG2-CB 4.38Å; T54-M56 WeakPolarHBondContact OG1-CB 3.29Å; T54-M56 PolarHBondContact OG1-N 2.85Å; T54-F57 HydrophobicContact CG2-CD2 3.75Å; T54-F57 HydrophobicContact CG2-CE2 3.83Å; T54-G163 WeakPolarHBondContact O-CA 3.21Å; T54-F164 PolarHBondContact N-O 3.27Å; T54-F164 PolarHBondContact O-N 2.96Å; T54-F164 VanDerWaalsContact O-O 3.1Å
55	T	87.2	Confident	87.4	Confident	93 Å²	93	69.1 Å²	69.1	57%	0.571	34%	0.338	S	S	*	.	S	Bend	trans	-99.1	-1.7	172.6	59.1	0	0	0	0	112.6	F57 N58 N162	T55-F57 PolarHBondContact O-N 3.39Å; T55-N58 WeakPolarHBondContact O-CB 3.31Å; T55-N58 PolarHBondContact O-N 2.95Å; T55-N162 WeakPolarHBondContact CG2-O 3.49Å
56	M	85.9	Confident	87.2	Confident	140 Å²	140	76.8 Å²	76.8	69%	0.69	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-39.7	-174.7	-172.6	-172.5	-65	0	0	112.5	T54	T54-M56 HydrophobicContact CG2-CB 4.38Å; T54-M56 WeakPolarHBondContact OG1-CB 3.29Å; T54-M56 PolarHBondContact OG1-N 2.85Å
57	F	85.8	Confident	87	Confident	73 Å²	73	79.6 Å²	79.6	32%	0.32	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-10.2	-177.1	-58.4	-71.4	0	0	0	114.2	T54 T55 R59 L60 F61 F164	T54-F57 HydrophobicContact CG2-CD2 3.75Å; T54-F57 HydrophobicContact CG2-CE2 3.83Å; T55-F57 PolarHBondContact O-N 3.39Å; F57-R59 PolarHBondContact O-N 2.96Å; F57-L60 HydrophobicContact CD1-CD2 4.39Å; F57-L60 WeakPolarHBondContact O-CA 3.47Å; F57-L60 WeakPolarHBondContact O-CB 3.29Å; F57-L60 PolarHBondContact O-N 3.46Å; F57-F61 HydrophobicContact CB-CD1 4.45Å; F57-F61 HydrophobicContact CB-CD2 4.33Å; F57-F61 HydrophobicContact CB-CE1 3.74Å; F57-F61 HydrophobicContact CB-CE2 3.63Å; F57-F61 HydrophobicContact CB-CZ 3.31Å; F57-F61 HydrophobicContact CG-CZ 4.24Å; F57-F61 WeakPolarHBondContact O-CD2 3.35Å; F57-F61 VanDerWaalsContact O-CG 3.28Å; F57-F61 WeakPolarHBondContact O-CG 3.31Å; F57-F61 PolarHBondContact O-N 3.42Å; F57-F164 HydrophobicContact CD2-CD1 4.17Å
58	N	85.9	Confident	87.1	Confident	33 Å²	33	79.9 Å²	79.9	18%	0.176	37%	0.372	C	S	.	.	H	α-helix	trans	-60.1	-34.9	-176.4	-67.1	4	0	0	0	112.1	T55 A62 V161 N162	T55-N58 WeakPolarHBondContact O-CB 3.31Å; T55-N58 PolarHBondContact O-N 2.95Å; N58-A62 WeakPolarHBondContact O-CB 3.26Å; N58-A62 PolarHBondContact O-N 3.46Å; N58-V161 PolarHBondContact ND2-O 3.29Å; N58-N162 PolarHBondContact ND2-O 3.22Å
59	R	85.6	Confident	87	Confident	221 Å²	221	79.4 Å²	79.4	83%	0.834	38%	0.376	S	S	*	.	H	α-helix	trans	-67.6	-40.2	175.1	-69.7	-175.5	-179.1	176.3	1.1	112	F57 A62 Y63	F57-R59 PolarHBondContact O-N 2.96Å; R59-A62 PolarHBondContact O-N 3.01Å; R59-Y63 WeakPolarHBondContact O-CB 3.46Å; R59-Y63 PolarHBondContact O-N 3.22Å
60	L	86.2	Confident	86.9	Confident	91 Å²	91	86.8 Å²	86.8	48%	0.476	40%	0.402	S	S	.	.	H	α-helix	trans	-64.5	-46.1	176.3	178.7	64	0	0	0	110.5	F57 A62 Y63 C64	F57-L60 HydrophobicContact CD1-CD2 4.39Å; F57-L60 WeakPolarHBondContact O-CA 3.47Å; F57-L60 WeakPolarHBondContact O-CB 3.29Å; F57-L60 PolarHBondContact O-N 3.46Å; L60-A62 VanDerWaalsContact C-N 3.32Å; L60-A62 PolarHBondContact O-N 2.83Å; L60-Y63 WeakPolarHBondContact O-CB 3.35Å; L60-Y63 PolarHBondContact O-N 2.81Å; L60-Y63 VanDerWaalsContact O-N 3.17Å; L60-C64 PolarHBondContact O-N 2.71Å; L60-C64 PolarHBondContact O-SG 2.97Å
61	F	90.2	Very high	86.8	Confident	7 Å²	7	87.1 Å²	87.1	3%	0.031	41%	0.409	C	S	.	.	H	α-helix	trans	-62	-40.8	176.8	-52.7	-30.7	0	0	0	111.9	F57 Y63 C64 A65 L148 A151 L155 V161 F164	F57-F61 HydrophobicContact CB-CD1 4.45Å; F57-F61 HydrophobicContact CB-CD2 4.33Å; F57-F61 HydrophobicContact CB-CE1 3.74Å; F57-F61 HydrophobicContact CB-CE2 3.63Å; F57-F61 HydrophobicContact CB-CZ 3.31Å; F57-F61 HydrophobicContact CG-CZ 4.24Å; F57-F61 WeakPolarHBondContact O-CD2 3.35Å; F57-F61 VanDerWaalsContact O-CG 3.28Å; F57-F61 WeakPolarHBondContact O-CG 3.31Å; F57-F61 PolarHBondContact O-N 3.42Å; F61-Y63 VanDerWaalsContact C-N 3.32Å; F61-Y63 PolarHBondContact O-N 3.21Å; F61-C64 PolarHBondContact O-N 2.74Å; F61-A65 WeakPolarHBondContact O-CB 2.79Å; F61-A65 PolarHBondContact O-N 3.09Å; F61-L148 HydrophobicContact CD1-CD1 3.44Å; F61-L148 VanDerWaalsContact CD1-CD1 3.44Å; F61-L148 HydrophobicContact CE1-CD1 3.27Å; F61-L148 HydrophobicContact CZ-CD1 4.32Å; F61-A151 HydrophobicContact CD2-CB 3.79Å; F61-A151 HydrophobicContact CE2-CB 4.03Å; F61-A151 HydrophobicContact CG-CB 4.06Å; F61-A151 HydrophobicContact CZ-CB 4.48Å; F61-L155 VanDerWaalsContact C-CD1 3.5Å; F61-L155 HydrophobicContact CB-CD1 3.46Å; F61-L155 VanDerWaalsContact CB-CD1 3.46Å; F61-V161 HydrophobicContact CD2-CG1 4.48Å; F61-F164 HydrophobicContact CE2-CB 3.79Å; F61-F164 HydrophobicContact CE2-CD2 4.29Å; F61-F164 HydrophobicContact CE2-CG 4.29Å; F61-F164 HydrophobicContact CZ-CB 3.98Å; F61-F164 AromaticContact CZ-CD2 3.91Å; F61-F164 HydrophobicContact CZ-CD2 3.91Å; F61-F164 HydrophobicContact CZ-CG 4Å
62	A	84.6	Confident	86.7	Confident	31 Å²	31	84.8 Å²	84.8	26%	0.256	40%	0.402	S	S	.	.	H	α-helix	trans	-65.8	-35.1	176.2	0	0	0	0	0	112.5	N58 R59 L60 R66 L155	N58-A62 WeakPolarHBondContact O-CB 3.26Å; N58-A62 PolarHBondContact O-N 3.46Å; R59-A62 PolarHBondContact O-N 3.01Å; L60-A62 VanDerWaalsContact C-N 3.32Å; L60-A62 PolarHBondContact O-N 2.83Å; A62-R66 WeakPolarHBondContact O-CG 3.43Å; A62-L155 HydrophobicContact CB-CD1 4.32Å
63	Y	87.2	Confident	86.6	Confident	153 Å²	153	86 Å²	86	60%	0.6	41%	0.408	S	S	*	.	H	α-helix	trans	-64.7	-54	171	176.6	-101	0	0	0	110.5	R59 L60 F61 A65 R66 I67	R59-Y63 WeakPolarHBondContact O-CB 3.46Å; R59-Y63 PolarHBondContact O-N 3.22Å; L60-Y63 WeakPolarHBondContact O-CB 3.35Å; L60-Y63 PolarHBondContact O-N 2.81Å; L60-Y63 VanDerWaalsContact O-N 3.17Å; F61-Y63 VanDerWaalsContact C-N 3.32Å; F61-Y63 PolarHBondContact O-N 3.21Å; Y63-A65 VanDerWaalsContact C-N 3.28Å; Y63-A65 PolarHBondContact O-N 2.84Å; Y63-R66 PolarHBondContact O-N 3.49Å; Y63-I67 HydrophobicContact CD1-CD1 3.82Å; Y63-I67 HydrophobicContact CD1-CG1 4.07Å; Y63-I67 HydrophobicContact CE1-CD1 3.46Å; Y63-I67 VanDerWaalsContact CE1-CD1 3.46Å; Y63-I67 HydrophobicContact CE1-CG1 3.75Å; Y63-I67 WeakPolarHBondContact O-CG1 3.43Å; Y63-I67 PolarHBondContact O-N 3.02Å
64	C	85.6	Confident	86.7	Confident	39 Å²	39	89.1 Å²	89.1	26%	0.264	43%	0.425	S	S	.	.	H	α-helix	trans	-53.8	-42.4	178.4	-68.7	0	0	0	0	112.5	L60 F61 R66 I67 L72 V152	L60-C64 PolarHBondContact O-N 2.71Å; L60-C64 PolarHBondContact O-SG 2.97Å; F61-C64 PolarHBondContact O-N 2.74Å; C64-R66 PolarHBondContact O-N 3.47Å; C64-R66 VanDerWaalsContact O-N 3.15Å; C64-I67 PolarHBondContact O-N 3.49Å; C64-L72 VanDerWaalsContact O-CD1 3.25Å; C64-L72 WeakPolarHBondContact O-CD1 3.47Å; C64-V152 HydrophobicContact CB-CG1 4.4Å; C64-V152 HydrophobicContact CB-CG2 4.09Å
65	A	85.6	Confident	87	Confident	7 Å²	7	92.5 Å²	92.5	6%	0.058	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-14.5	178.1	0	0	0	0	0	114.3	F61 Y63 V152 L155	F61-A65 WeakPolarHBondContact O-CB 2.79Å; F61-A65 PolarHBondContact O-N 3.09Å; Y63-A65 VanDerWaalsContact C-N 3.28Å; Y63-A65 PolarHBondContact O-N 2.84Å; A65-V152 HydrophobicContact CB-CG1 4.34Å; A65-L155 HydrophobicContact CB-CB 3.85Å
66	R	85.7	Confident	87.3	Confident	205 Å²	205	88.4 Å²	88.4	77%	0.774	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	-14	-178	-68.6	176.9	-177.1	-175.9	1	114.6	A62 Y63 C64 N68	A62-R66 WeakPolarHBondContact O-CG 3.43Å; Y63-R66 PolarHBondContact O-N 3.49Å; C64-R66 PolarHBondContact O-N 3.47Å; C64-R66 VanDerWaalsContact O-N 3.15Å; R66-N68 PolarHBondContact O-N 3.2Å
67	I	81.2	Confident	87.6	Confident	107 Å²	107	82.9 Å²	82.9	55%	0.549	39%	0.385	S	S	.	.	S	Bend	trans	-57.1	-44.4	-173.6	-66.4	174	0	0	0	112.2	Y63 C64	Y63-I67 HydrophobicContact CD1-CD1 3.82Å; Y63-I67 HydrophobicContact CD1-CG1 4.07Å; Y63-I67 HydrophobicContact CE1-CD1 3.46Å; Y63-I67 VanDerWaalsContact CE1-CD1 3.46Å; Y63-I67 HydrophobicContact CE1-CG1 3.75Å; Y63-I67 WeakPolarHBondContact O-CG1 3.43Å; Y63-I67 PolarHBondContact O-N 3.02Å; C64-I67 PolarHBondContact O-N 3.49Å
68	N	87.2	Confident	87.9	Confident	80 Å²	80	82.4 Å²	82.4	43%	0.428	39%	0.391	S	S	.	.			trans	-154.4	95.7	173.8	-170	-27.9	0	0	0	111.1	R66 R70 A71 L72	R66-N68 PolarHBondContact O-N 3.2Å; N68-R70 VanDerWaalsContact C-N 3.27Å; N68-R70 PolarHBondContact O-N 3.33Å; N68-R70 PolarHBondContact OD1-N 3.07Å; N68-A71 HydrophobicContact CB-CB 3.94Å; N68-A71 PolarHBondContact O-N 2.88Å; N68-A71 PolarHBondContact OD1-N 3.15Å; N68-A71 VanDerWaalsContact OD1-N 3.15Å; N68-L72 WeakPolarHBondContact O-CB 3.42Å; N68-L72 WeakPolarHBondContact O-CG 3.34Å; N68-L72 PolarHBondContact O-N 3.49Å
69	P	82.3	Confident	88.2	Confident	61 Å²	61	80.9 Å²	80.9	40%	0.396	38%	0.382	S	S	.	.	H	α-helix	trans	-69	-22.3	-170.6	25.9	-34.2	0	0	0	113.9	Y73	P69-Y73 WeakPolarHBondContact O-CB 3.38Å; P69-Y73 PolarHBondContact O-N 3.47Å
70	R	86.9	Confident	88.6	Confident	206 Å²	206	72.2 Å²	72.2	78%	0.777	35%	0.352	S	S	*	.	H	α-helix	trans	-79.2	-45.9	175.1	-71.4	-174.7	179.8	174.7	0.4	111.2	N68 Y73 L74	N68-R70 VanDerWaalsContact C-N 3.27Å; N68-R70 PolarHBondContact O-N 3.33Å; N68-R70 PolarHBondContact OD1-N 3.07Å; R70-Y73 PolarHBondContact O-N 3.32Å; R70-L74 PolarHBondContact O-N 3.17Å; R70-L74 VanDerWaalsContact O-N 3.08Å
71	A	88.8	Confident	88.9	Confident	48 Å²	48	72.7 Å²	72.7	40%	0.397	36%	0.359	S	S	.	.	H	α-helix	trans	-64.1	-41.9	177.4	0	0	0	0	0	111.7	N68 Y73 L74 W75	N68-A71 HydrophobicContact CB-CB 3.94Å; N68-A71 PolarHBondContact O-N 2.88Å; N68-A71 PolarHBondContact OD1-N 3.15Å; N68-A71 VanDerWaalsContact OD1-N 3.15Å; A71-Y73 VanDerWaalsContact C-N 3.34Å; A71-Y73 PolarHBondContact O-N 3.01Å; A71-L74 PolarHBondContact O-N 2.99Å; A71-W75 VanDerWaalsContact O-CB 3.3Å; A71-W75 WeakPolarHBondContact O-CB 3.37Å; A71-W75 PolarHBondContact O-N 3.29Å
72	L	89.3	Confident	89.1	Confident	32 Å²	32	75.1 Å²	75.1	17%	0.168	37%	0.369	C	S	.	.	H	α-helix	trans	-65.8	-36.3	176.1	-72.3	166	0	0	0	112.6	C64 N68 W75 F76 V152	C64-L72 VanDerWaalsContact O-CD1 3.25Å; C64-L72 WeakPolarHBondContact O-CD1 3.47Å; N68-L72 WeakPolarHBondContact O-CB 3.42Å; N68-L72 WeakPolarHBondContact O-CG 3.34Å; N68-L72 PolarHBondContact O-N 3.49Å; L72-W75 PolarHBondContact O-N 3.32Å; L72-F76 HydrophobicContact CB-CD2 4.42Å; L72-F76 HydrophobicContact CB-CE2 4.36Å; L72-F76 HydrophobicContact CD2-CE2 3.91Å; L72-F76 WeakPolarHBondContact O-CD2 3.41Å; L72-F76 PolarHBondContact O-N 2.87Å; L72-V152 HydrophobicContact CD2-CG1 4.43Å
73	Y	89.3	Confident	89.4	Confident	105 Å²	105	74 Å²	74	41%	0.412	36%	0.361	S	S	.	.	H	α-helix	trans	-62.5	-45.3	174.3	177.4	-96.7	0	0	0	111.5	P69 R70 A71 S77 R194	P69-Y73 WeakPolarHBondContact O-CB 3.38Å; P69-Y73 PolarHBondContact O-N 3.47Å; R70-Y73 PolarHBondContact O-N 3.32Å; A71-Y73 VanDerWaalsContact C-N 3.34Å; A71-Y73 PolarHBondContact O-N 3.01Å; Y73-S77 WeakPolarHBondContact O-CB 3.44Å; Y73-S77 PolarHBondContact O-N 2.92Å; Y73-S77 PolarHBondContact O-OG 3.47Å; Y73-R194 PolarHBondContact OH-NH2 3Å
74	L	92.2	Very high	89.5	Confident	115 Å²	115	69.1 Å²	69.1	60%	0.602	35%	0.347	S	S	*	.	H	α-helix	trans	-63.7	-45.6	174.9	-70.5	171.7	0	0	0	111.2	R70 A71 F76 S77 S78	R70-L74 PolarHBondContact O-N 3.17Å; R70-L74 VanDerWaalsContact O-N 3.08Å; A71-L74 PolarHBondContact O-N 2.99Å; L74-F76 PolarHBondContact O-N 3.38Å; L74-S77 PolarHBondContact O-N 3Å; L74-S78 PolarHBondContact O-N 2.96Å; L74-S78 PolarHBondContact O-OG 3.24Å
75	W	93.5	Very high	89.7	Confident	95 Å²	95	70.1 Å²	70.1	36%	0.36	36%	0.358	S	S	.	.	H	α-helix	trans	-55.5	-52.9	179.1	-179.3	-94.6	0	0	0	113	A71 L72 S77 S78 G79 W201 H202 V205	A71-W75 VanDerWaalsContact O-CB 3.3Å; A71-W75 WeakPolarHBondContact O-CB 3.37Å; A71-W75 PolarHBondContact O-N 3.29Å; L72-W75 PolarHBondContact O-N 3.32Å; W75-S77 VanDerWaalsContact C-N 3.35Å; W75-S78 PolarHBondContact O-N 3.23Å; W75-G79 PolarHBondContact O-N 2.96Å; W75-W201 AromaticContact CD1-CD1 3.97Å; W75-W201 AromaticContact CD1-NE1 3.75Å; W75-W201 AromaticContact CD2-NE1 3.51Å; W75-W201 AromaticContact CE2-CD1 3.72Å; W75-W201 AromaticContact CE2-NE1 3.1Å; W75-W201 AromaticContact CG-NE1 3.93Å; W75-W201 HydrophobicContact CH2-CZ2 4.39Å; W75-W201 AromaticContact CZ2-NE1 3.4Å; W75-W201 HydrophobicContact CZ3-CZ2 4.38Å; W75-W201 AromaticContact NE1-CD1 3.37Å; W75-W201 AromaticContact NE1-NE1 3.22Å; W75-W201 PolarHBondContact O-NE1 3.24Å; W75-H202 AromaticContact CE2-NE2 3.86Å; W75-H202 AromaticContact CZ2-CD2 3.98Å; W75-H202 AromaticContact NE1-CD2 3.43Å; W75-H202 PolarHBondContact NE1-CD2 3.3Å; W75-H202 AromaticContact NE1-NE2 3.05Å; W75-H202 PolarHBondContact NE1-NE2 3.49Å; W75-V205 HydrophobicContact CH2-CB 4.42Å; W75-V205 HydrophobicContact CH2-CG1 3.97Å; W75-V205 HydrophobicContact CH2-CG2 3.72Å; W75-V205 HydrophobicContact CZ2-CB 4.48Å; W75-V205 HydrophobicContact CZ2-CG1 4.31Å; W75-V205 HydrophobicContact CZ2-CG2 3.86Å
76	F	94.2	Very high	89.8	Confident	7 Å²	7	71.5 Å²	71.5	3%	0.031	37%	0.369	C	S	.	.	H	α-helix	trans	-76	-23.1	179.7	-65.7	-60.5	0	0	0	112.9	L72 L74 G79 L80 V152 A153 A198	L72-F76 HydrophobicContact CB-CD2 4.42Å; L72-F76 HydrophobicContact CB-CE2 4.36Å; L72-F76 HydrophobicContact CD2-CE2 3.91Å; L72-F76 WeakPolarHBondContact O-CD2 3.41Å; L72-F76 PolarHBondContact O-N 2.87Å; L74-F76 PolarHBondContact O-N 3.38Å; F76-G79 PolarHBondContact O-N 3.3Å; F76-L80 PolarHBondContact O-N 2.87Å; F76-V152 HydrophobicContact CE2-CG1 4.03Å; F76-V152 HydrophobicContact CZ-CB 4.15Å; F76-V152 HydrophobicContact CZ-CG1 3.92Å; F76-A153 HydrophobicContact CD1-CB 3.97Å; F76-A153 HydrophobicContact CD2-CB 4.25Å; F76-A153 HydrophobicContact CE1-CB 3.89Å; F76-A153 HydrophobicContact CE2-CB 4.16Å; F76-A153 HydrophobicContact CG-CB 4.17Å; F76-A153 HydrophobicContact CZ-CB 3.98Å; F76-A198 HydrophobicContact CD1-CB 3.74Å; F76-A198 HydrophobicContact CE1-CB 3.73Å
77	S	92.2	Very high	90	Very high	25 Å²	25	67 Å²	67	18%	0.175	36%	0.359	C	S	.	.	H	α-helix	trans	-70.9	-39.6	171	-62.6	0	0	0	0	111.8	Y73 L74 W75 G79 L80 V81 R194	Y73-S77 WeakPolarHBondContact O-CB 3.44Å; Y73-S77 PolarHBondContact O-N 2.92Å; Y73-S77 PolarHBondContact O-OG 3.47Å; L74-S77 PolarHBondContact O-N 3Å; W75-S77 VanDerWaalsContact C-N 3.35Å; S77-G79 VanDerWaalsContact C-N 3.31Å; S77-L80 PolarHBondContact O-N 2.96Å; S77-V81 PolarHBondContact O-N 3.36Å; S77-V81 VanDerWaalsContact O-N 3.12Å; S77-R194 PolarHBondContact OG-NE 3.04Å
78	S	92.4	Very high	90.3	Very high	63 Å²	63	67.1 Å²	67.1	44%	0.441	36%	0.36	S	S	.	.	H	α-helix	trans	-61.4	-42	169.1	-63.4	0	0	0	0	111.2	L74 W75 L80 V81 F82	L74-S78 PolarHBondContact O-N 2.96Å; L74-S78 PolarHBondContact O-OG 3.24Å; W75-S78 PolarHBondContact O-N 3.23Å; S78-L80 VanDerWaalsContact C-N 3.32Å; S78-L80 PolarHBondContact O-N 3.28Å; S78-V81 PolarHBondContact O-N 2.94Å; S78-F82 PolarHBondContact O-N 3.46Å
79	G	92.5	Very high	90.3	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-59.5	-37.7	173.8	0	0	0	0	0	113.8	W75 F76 S77 G83	W75-G79 PolarHBondContact O-N 2.96Å; F76-G79 PolarHBondContact O-N 3.3Å; S77-G79 VanDerWaalsContact C-N 3.31Å; G79-G83 PolarHBondContact O-N 3.29Å
80	L	93.8	Very high	90.5	Very high	39 Å²	39	65.4 Å²	65.4	20%	0.204	36%	0.362	C	S	.	.	H	α-helix	trans	-64.7	-46.2	173.5	175.7	147.4	0	0	0	112	F76 S77 S78 G83 V84 L193 R194	F76-L80 PolarHBondContact O-N 2.87Å; S77-L80 PolarHBondContact O-N 2.96Å; S78-L80 VanDerWaalsContact C-N 3.32Å; S78-L80 PolarHBondContact O-N 3.28Å; L80-G83 PolarHBondContact O-N 2.84Å; L80-V84 WeakPolarHBondContact O-CG2 3.24Å; L80-V84 PolarHBondContact O-N 3.5Å; L80-L193 HydrophobicContact CD1-CB 3.66Å; L80-L193 HydrophobicContact CG-CB 4.46Å; L80-R194 HydrophobicContact CB-CG 4.11Å; L80-R194 HydrophobicContact CD1-CG 3.64Å
81	V	93.4	Very high	90.5	Very high	101 Å²	101	59.4 Å²	59.4	61%	0.612	35%	0.348	S	S	*	.	H	α-helix	trans	-61.5	-47	178.2	174.7	0	0	0	0	110.5	S77 S78 A85	S77-V81 PolarHBondContact O-N 3.36Å; S77-V81 VanDerWaalsContact O-N 3.12Å; S78-V81 PolarHBondContact O-N 2.94Å; V81-A85 WeakPolarHBondContact O-CB 3.48Å; V81-A85 PolarHBondContact O-N 2.95Å; V81-A85 VanDerWaalsContact O-N 3.09Å
82	F	93.1	Very high	90.5	Very high	58 Å²	58	61.9 Å²	61.9	25%	0.254	36%	0.358	S	S	.	.	H	α-helix	trans	-61.2	-47.2	175.4	175.3	-97	0	0	0	111.6	S78 V84 A85 A86 V200 W201 F204	S78-F82 PolarHBondContact O-N 3.46Å; F82-V84 VanDerWaalsContact C-N 3.34Å; F82-V84 PolarHBondContact O-N 2.98Å; F82-A85 PolarHBondContact O-N 2.89Å; F82-A86 HydrophobicContact CD1-CB 4.43Å; F82-A86 HydrophobicContact CE1-CB 4.07Å; F82-A86 HydrophobicContact CZ-CB 4.12Å; F82-A86 WeakPolarHBondContact O-CB 3.34Å; F82-A86 PolarHBondContact O-N 2.83Å; F82-V200 HydrophobicContact CE1-CG1 4.2Å; F82-W201 HydrophobicContact CB-CE3 3.8Å; F82-W201 HydrophobicContact CB-CZ3 3.93Å; F82-W201 AromaticContact CD1-CE3 3.85Å; F82-W201 HydrophobicContact CD1-CE3 3.85Å; F82-W201 HydrophobicContact CD1-CZ3 4.43Å; F82-W201 HydrophobicContact CD2-CZ3 4.39Å; F82-W201 AromaticContact CG-CE3 3.82Å; F82-W201 HydrophobicContact CG-CE3 3.82Å; F82-W201 AromaticContact CG-CZ3 4Å; F82-W201 HydrophobicContact CG-CZ3 4Å; F82-F204 HydrophobicContact CE1-CB 3.71Å; F82-F204 HydrophobicContact CE1-CD1 4.45Å; F82-F204 HydrophobicContact CE1-CD2 4.28Å; F82-F204 AromaticContact CE1-CG 3.89Å; F82-F204 HydrophobicContact CE1-CG 3.89Å; F82-F204 HydrophobicContact CE2-CD1 4.12Å; F82-F204 AromaticContact CE2-CD2 3.79Å; F82-F204 HydrophobicContact CE2-CD2 3.79Å; F82-F204 HydrophobicContact CE2-CE1 4.22Å; F82-F204 AromaticContact CE2-CE2 3.91Å; F82-F204 HydrophobicContact CE2-CE2 3.91Å; F82-F204 AromaticContact CE2-CG 3.9Å; F82-F204 HydrophobicContact CE2-CG 3.9Å; F82-F204 HydrophobicContact CE2-CZ 4.12Å; F82-F204 HydrophobicContact CZ-CB 3.76Å; F82-F204 HydrophobicContact CZ-CD1 4.09Å; F82-F204 AromaticContact CZ-CD2 3.43Å; F82-F204 HydrophobicContact CZ-CD2 3.43Å; F82-F204 VanDerWaalsContact CZ-CD2 3.43Å; F82-F204 HydrophobicContact CZ-CE2 4.03Å; F82-F204 AromaticContact CZ-CG 3.47Å; F82-F204 HydrophobicContact CZ-CG 3.47Å; F82-F204 VanDerWaalsContact CZ-CG 3.47Å
83	G	90.6	Very high	90.1	Very high	8 Å²	8	64.8 Å²	64.8	8%	0.082	37%	0.373	C	S	.	.	H	α-helix	trans	-59.5	-42.7	-178.4	0	0	0	0	0	112.6	G79 L80 M87	G79-G83 PolarHBondContact O-N 3.29Å; L80-G83 PolarHBondContact O-N 2.84Å; G83-M87 WeakPolarHBondContact O-CB 3.29Å; G83-M87 PolarHBondContact O-N 2.86Å
84	V	90.1	Very high	89.8	Confident	50 Å²	50	65.3 Å²	65.3	30%	0.303	38%	0.382	S	S	.	.	H	α-helix	trans	-66.9	-44.1	176	174.5	0	0	0	0	111.3	L80 F82 M87 L88 L193	L80-V84 WeakPolarHBondContact O-CG2 3.24Å; L80-V84 PolarHBondContact O-N 3.5Å; F82-V84 VanDerWaalsContact C-N 3.34Å; F82-V84 PolarHBondContact O-N 2.98Å; V84-M87 PolarHBondContact O-N 3.18Å; V84-L88 HydrophobicContact CG1-CD1 4.46Å; V84-L88 WeakPolarHBondContact O-CG 3.18Å; V84-L88 PolarHBondContact O-N 2.84Å; V84-L193 HydrophobicContact CG2-CD2 4Å
85	A	89.9	Confident	89.4	Confident	60 Å²	60	63 Å²	63	50%	0.496	37%	0.373	S	S	.	.	H	α-helix	trans	-64.6	-44.4	177.8	0	0	0	0	0	112.1	V81 F82 M87 L88 G89	V81-A85 WeakPolarHBondContact O-CB 3.48Å; V81-A85 PolarHBondContact O-N 2.95Å; V81-A85 VanDerWaalsContact O-N 3.09Å; F82-A85 PolarHBondContact O-N 2.89Å; A85-M87 VanDerWaalsContact C-N 3.35Å; A85-L88 PolarHBondContact O-N 3.19Å; A85-G89 PolarHBondContact O-N 3.49Å
86	A	87.6	Confident	88.7	Confident	36 Å²	36	64.1 Å²	64.1	30%	0.298	38%	0.38	S	S	.	.	H	α-helix	trans	-65.9	-37.4	177	0	0	0	0	0	111.5	F82 G89 S90	F82-A86 HydrophobicContact CD1-CB 4.43Å; F82-A86 HydrophobicContact CE1-CB 4.07Å; F82-A86 HydrophobicContact CZ-CB 4.12Å; F82-A86 WeakPolarHBondContact O-CB 3.34Å; F82-A86 PolarHBondContact O-N 2.83Å; A86-G89 PolarHBondContact O-N 3.14Å; A86-S90 VanDerWaalsContact O-CB 3.23Å; A86-S90 WeakPolarHBondContact O-CB 3.45Å; A86-S90 PolarHBondContact O-N 3.42Å; A86-S90 PolarHBondContact O-OG 3.41Å
87	M	88.8	Confident	87.8	Confident	111 Å²	111	66.5 Å²	66.5	55%	0.547	40%	0.395	S	S	.	.	H	α-helix	trans	-61.2	-49.8	173.5	-175.7	-178.1	71.3	0	0	110.7	G83 V84 A85 G89 S90 V91	G83-M87 WeakPolarHBondContact O-CB 3.29Å; G83-M87 PolarHBondContact O-N 2.86Å; V84-M87 PolarHBondContact O-N 3.18Å; A85-M87 VanDerWaalsContact C-N 3.35Å; M87-G89 PolarHBondContact O-N 3.21Å; M87-S90 WeakPolarHBondContact CA-OG 3.43Å; M87-S90 PolarHBondContact O-N 3.19Å; M87-S90 PolarHBondContact O-OG 2.69Å; M87-V91 WeakPolarHBondContact O-CG2 3.48Å; M87-V91 PolarHBondContact O-N 2.79Å
88	L	88.8	Confident	87.1	Confident	109 Å²	109	70.9 Å²	70.9	57%	0.571	42%	0.416	S	S	*	.	H	α-helix	trans	-59.7	-45.3	176.3	-71.2	170.9	0	0	0	111.8	V84 A85 S90 V91 V92	V84-L88 HydrophobicContact CG1-CD1 4.46Å; V84-L88 WeakPolarHBondContact O-CG 3.18Å; V84-L88 PolarHBondContact O-N 2.84Å; A85-L88 PolarHBondContact O-N 3.19Å; L88-S90 VanDerWaalsContact C-N 3.34Å; L88-S90 PolarHBondContact O-N 3.39Å; L88-V91 PolarHBondContact O-N 2.92Å; L88-V92 WeakPolarHBondContact O-CG2 3.43Å; L88-V92 PolarHBondContact O-N 3.24Å
89	G	87.5	Confident	86.4	Confident	40 Å²	40	74 Å²	74	41%	0.412	42%	0.424	S	S	.	.	H	α-helix	trans	-60.5	-41.7	175.2	0	0	0	0	0	112.7	A85 A86 M87 V92 L93	A85-G89 PolarHBondContact O-N 3.49Å; A86-G89 PolarHBondContact O-N 3.14Å; M87-G89 PolarHBondContact O-N 3.21Å; G89-V92 PolarHBondContact O-N 2.98Å; G89-L93 VanDerWaalsContact O-CB 3.3Å; G89-L93 WeakPolarHBondContact O-CB 3.34Å; G89-L93 PolarHBondContact O-N 3.24Å
90	S	84.8	Confident	85.3	Confident	65 Å²	65	77 Å²	77	46%	0.455	44%	0.438	S	S	.	.	H	α-helix	trans	-67.7	-37.7	178.6	74.2	0	0	0	0	112	A86 M87 L88 L93 L94	A86-S90 VanDerWaalsContact O-CB 3.23Å; A86-S90 WeakPolarHBondContact O-CB 3.45Å; A86-S90 PolarHBondContact O-N 3.42Å; A86-S90 PolarHBondContact O-OG 3.41Å; M87-S90 WeakPolarHBondContact CA-OG 3.43Å; M87-S90 PolarHBondContact O-N 3.19Å; M87-S90 PolarHBondContact O-OG 2.69Å; L88-S90 VanDerWaalsContact C-N 3.34Å; L88-S90 PolarHBondContact O-N 3.39Å; S90-L93 PolarHBondContact O-N 2.95Å; S90-L94 WeakPolarHBondContact O-CB 3.4Å; S90-L94 PolarHBondContact O-N 3.34Å
91	V	88	Confident	84	Confident	80 Å²	80	77.5 Å²	77.5	49%	0.485	44%	0.442	S	S	.	.	H	α-helix	trans	-65.8	-44.6	174.7	171.1	0	0	0	0	110.1	M87 L88 L93 L94 V95	M87-V91 WeakPolarHBondContact O-CG2 3.48Å; M87-V91 PolarHBondContact O-N 2.79Å; L88-V91 PolarHBondContact O-N 2.92Å; V91-L93 VanDerWaalsContact C-N 3.31Å; V91-L93 PolarHBondContact O-N 3.25Å; V91-L94 PolarHBondContact O-N 2.86Å; V91-V95 HydrophobicContact CG1-CG2 4.27Å; V91-V95 WeakPolarHBondContact O-CB 3.38Å; V91-V95 VanDerWaalsContact O-CG2 3.22Å; V91-V95 WeakPolarHBondContact O-CG2 3.32Å; V91-V95 PolarHBondContact O-N 2.92Å
92	V	88.1	Confident	82.9	Confident	100 Å²	100	80.3 Å²	80.3	61%	0.606	44%	0.443	S	S	*	.	H	α-helix	trans	-59.9	-44.9	174.9	170.9	0	0	0	0	110.7	L88 G89 K96	L88-V92 WeakPolarHBondContact O-CG2 3.43Å; L88-V92 PolarHBondContact O-N 3.24Å; G89-V92 PolarHBondContact O-N 2.98Å; V92-K96 VanDerWaalsContact O-CB 3.24Å; V92-K96 WeakPolarHBondContact O-CB 3.32Å; V92-K96 PolarHBondContact O-N 2.87Å
93	L	81.7	Confident	81.6	Confident	93 Å²	93	79.8 Å²	79.8	49%	0.487	45%	0.45	S	S	.	.	H	α-helix	trans	-68.1	-39	-179.5	-160.4	142.7	0	0	0	111.5	G89 S90 V91 K96 T97	G89-L93 VanDerWaalsContact O-CB 3.3Å; G89-L93 WeakPolarHBondContact O-CB 3.34Å; G89-L93 PolarHBondContact O-N 3.24Å; S90-L93 PolarHBondContact O-N 2.95Å; V91-L93 VanDerWaalsContact C-N 3.31Å; V91-L93 PolarHBondContact O-N 3.25Å; L93-K96 PolarHBondContact O-N 3.15Å; L93-T97 VanDerWaalsContact O-CB 3.28Å; L93-T97 WeakPolarHBondContact O-CB 3.41Å; L93-T97 PolarHBondContact O-N 3.39Å; L93-T97 PolarHBondContact O-OG1 2.99Å
94	L	83	Confident	80.1	Confident	117 Å²	117	83.5 Å²	83.5	61%	0.613	47%	0.465	S	S	*	.	H	α-helix	trans	-70.2	-41.6	177	-167.3	123.7	0	0	0	111.4	S90 V91 T97 L98	S90-L94 WeakPolarHBondContact O-CB 3.4Å; S90-L94 PolarHBondContact O-N 3.34Å; V91-L94 PolarHBondContact O-N 2.86Å; L94-T97 PolarHBondContact O-N 3.26Å; L94-L98 WeakPolarHBondContact O-CB 3.28Å; L94-L98 PolarHBondContact O-N 3.4Å
95	V	83.3	Confident	78.5	Confident	65 Å²	65	88.1 Å²	88.1	39%	0.394	49%	0.485	S	S	.	.	H	α-helix	trans	-62.3	-44.6	172.6	169.1	0	0	0	0	110.3	V91 T97 L98 Q99	V91-V95 HydrophobicContact CG1-CG2 4.27Å; V91-V95 WeakPolarHBondContact O-CB 3.38Å; V91-V95 VanDerWaalsContact O-CG2 3.22Å; V91-V95 WeakPolarHBondContact O-CG2 3.32Å; V91-V95 PolarHBondContact O-N 2.92Å; V95-T97 PolarHBondContact O-N 2.76Å; V95-L98 PolarHBondContact O-N 3.14Å; V95-Q99 HydrophobicContact CG1-CG 4.27Å; V95-Q99 VanDerWaalsContact O-CB 3.26Å; V95-Q99 WeakPolarHBondContact O-CB 3.42Å; V95-Q99 WeakPolarHBondContact O-CG 3.37Å; V95-Q99 PolarHBondContact O-N 3.14Å
96	K	79.2	Confident	77	Confident	120 Å²	120	89 Å²	89	52%	0.522	49%	0.485	S	S	.	.	H	α-helix	trans	-62.7	-43.1	176.1	-172.3	-180	-179.2	-177.9	0	111.5	V92 L93 Q99 Q100	V92-K96 VanDerWaalsContact O-CB 3.24Å; V92-K96 WeakPolarHBondContact O-CB 3.32Å; V92-K96 PolarHBondContact O-N 2.87Å; L93-K96 PolarHBondContact O-N 3.15Å; K96-Q99 PolarHBondContact O-N 3.31Å; K96-Q100 VanDerWaalsContact O-CB 3.31Å; K96-Q100 WeakPolarHBondContact O-CB 3.36Å; K96-Q100 VanDerWaalsContact O-CG 3.24Å; K96-Q100 WeakPolarHBondContact O-CG 3.44Å; K96-Q100 PolarHBondContact O-N 3.11Å
97	T	75	Confident	75.1	Confident	56 Å²	56	90.9 Å²	90.9	34%	0.344	49%	0.492	S	S	.	.	H	α-helix	trans	-66.6	-41.4	177.8	-55.3	0	0	0	0	110.6	L93 L94 V95 Q100 T101	L93-T97 VanDerWaalsContact O-CB 3.28Å; L93-T97 WeakPolarHBondContact O-CB 3.41Å; L93-T97 PolarHBondContact O-N 3.39Å; L93-T97 PolarHBondContact O-OG1 2.99Å; L94-T97 PolarHBondContact O-N 3.26Å; V95-T97 PolarHBondContact O-N 2.76Å; T97-Q100 PolarHBondContact O-N 2.89Å; T97-T101 VanDerWaalsContact O-CB 3.27Å; T97-T101 WeakPolarHBondContact O-CB 3.3Å; T97-T101 PolarHBondContact O-N 3.16Å; T97-T101 PolarHBondContact O-OG1 3.2Å
98	L	77.8	Confident	73	Confident	118 Å²	118	93.5 Å²	93.5	62%	0.618	51%	0.509	S	S	*	.	H	α-helix	trans	-67.7	-40.7	176.8	-162.8	93.2	0	0	0	111.1	L94 V95 T101 Y102	L94-L98 WeakPolarHBondContact O-CB 3.28Å; L94-L98 PolarHBondContact O-N 3.4Å; V95-L98 PolarHBondContact O-N 3.14Å; L98-T101 PolarHBondContact O-N 2.71Å; L98-Y102 WeakPolarHBondContact O-CA 3.45Å; L98-Y102 WeakPolarHBondContact O-CB 3.14Å; L98-Y102 PolarHBondContact O-N 2.92Å
99	Q	77.1	Confident	70.7	Confident	127 Å²	127	91.2 Å²	91.2	59%	0.593	50%	0.497	S	S	*	.	H	α-helix	trans	-63.3	-43.1	173.1	-77.7	174.1	-20.2	0	0	111.1	V95 K96 A103	V95-Q99 HydrophobicContact CG1-CG 4.27Å; V95-Q99 VanDerWaalsContact O-CB 3.26Å; V95-Q99 WeakPolarHBondContact O-CB 3.42Å; V95-Q99 WeakPolarHBondContact O-CG 3.37Å; V95-Q99 PolarHBondContact O-N 3.14Å; K96-Q99 PolarHBondContact O-N 3.31Å; Q99-A103 WeakPolarHBondContact O-CB 3.44Å; Q99-A103 PolarHBondContact O-N 2.97Å
100	Q	69.8	Low	68.3	Low	63 Å²	63	93.7 Å²	93.7	29%	0.294	51%	0.506	S	S	.	.	H	α-helix	trans	-65.4	-43.6	175.1	-77.7	176.3	-36.1	0	0	111.7	K96 T97 A103 Q104	K96-Q100 VanDerWaalsContact O-CB 3.31Å; K96-Q100 WeakPolarHBondContact O-CB 3.36Å; K96-Q100 VanDerWaalsContact O-CG 3.24Å; K96-Q100 WeakPolarHBondContact O-CG 3.44Å; K96-Q100 PolarHBondContact O-N 3.11Å; T97-Q100 PolarHBondContact O-N 2.89Å; Q100-A103 PolarHBondContact O-N 2.86Å; Q100-Q104 WeakPolarHBondContact O-CB 3.25Å; Q100-Q104 VanDerWaalsContact O-CG 3.22Å; Q100-Q104 WeakPolarHBondContact O-CG 3.38Å; Q100-Q104 PolarHBondContact O-N 3.04Å
101	T	67.3	Low	66.2	Low	50 Å²	50	98.8 Å²	98.8	31%	0.307	52%	0.515	S	S	.	.	H	α-helix	trans	-69.1	-41.9	179.2	-51	0	0	0	0	110.5	T97 L98 Q104 M105	T97-T101 VanDerWaalsContact O-CB 3.27Å; T97-T101 WeakPolarHBondContact O-CB 3.3Å; T97-T101 PolarHBondContact O-N 3.16Å; T97-T101 PolarHBondContact O-OG1 3.2Å; L98-T101 PolarHBondContact O-N 2.71Å; T101-Q104 CarbonylContact O-C 3.59Å; T101-Q104 WeakPolarHBondContact O-CB 3.29Å; T101-Q104 PolarHBondContact O-N 3.06Å; T101-M105 HydrophobicContact CG2-CE 3.39Å; T101-M105 HydrophobicContact CG2-CG 4.46Å; T101-M105 WeakPolarHBondContact O-CB 3.49Å; T101-M105 VanDerWaalsContact O-CG 3.31Å; T101-M105 WeakPolarHBondContact O-CG 2.91Å; T101-M105 PolarHBondContact O-N 3.33Å
102	Y	70.3	Confident	64	Low	160 Å²	160	102.8 Å²	102.8	63%	0.627	53%	0.532	S	S	*	.	H	α-helix	trans	-65	-41.9	174.1	-177.8	-98.3	0	0	0	111.3	L98 Q104 M105 T106	L98-Y102 WeakPolarHBondContact O-CA 3.45Å; L98-Y102 WeakPolarHBondContact O-CB 3.14Å; L98-Y102 PolarHBondContact O-N 2.92Å; Y102-Q104 VanDerWaalsContact C-N 3.3Å; Y102-Q104 PolarHBondContact O-N 3.28Å; Y102-M105 PolarHBondContact O-N 3.43Å; Y102-T106 HydrophobicContact CD1-CG2 4.14Å; Y102-T106 HydrophobicContact CD2-CG2 4.08Å; Y102-T106 HydrophobicContact CE1-CG2 3.73Å; Y102-T106 HydrophobicContact CE2-CG2 3.67Å; Y102-T106 HydrophobicContact CG-CG2 4.31Å; Y102-T106 VanDerWaalsContact CZ-CG2 3.48Å; Y102-T106 WeakPolarHBondContact O-CB 3.17Å; Y102-T106 WeakPolarHBondContact O-CG2 3.35Å; Y102-T106 PolarHBondContact O-N 3.01Å; Y102-T106 PolarHBondContact O-OG1 2.98Å
103	A	65.6	Low	61.6	Low	48 Å²	48	100 Å²	100	40%	0.397	52%	0.523	S	S	.	.	H	α-helix	trans	-62.6	-37.5	172.3	0	0	0	0	0	111.3	Q99 Q100 T107	Q99-A103 WeakPolarHBondContact O-CB 3.44Å; Q99-A103 PolarHBondContact O-N 2.97Å; Q100-A103 PolarHBondContact O-N 2.86Å; A103-T107 VanDerWaalsContact O-CB 3.28Å; A103-T107 WeakPolarHBondContact O-CB 3.29Å; A103-T107 WeakPolarHBondContact O-CG2 3.31Å; A103-T107 PolarHBondContact O-N 3.19Å; A103-T107 PolarHBondContact O-OG1 3.35Å
104	Q	58.8	Low	59.9	Low	85 Å²	85	100 Å²	100	40%	0.397	55%	0.546	S	S	.	.	H	α-helix	trans	-71	-33.3	174.1	-77.4	171.9	-16.8	0	0	113.2	Q100 T101 Y102	Q100-Q104 WeakPolarHBondContact O-CB 3.25Å; Q100-Q104 VanDerWaalsContact O-CG 3.22Å; Q100-Q104 WeakPolarHBondContact O-CG 3.38Å; Q100-Q104 PolarHBondContact O-N 3.04Å; T101-Q104 CarbonylContact O-C 3.59Å; T101-Q104 WeakPolarHBondContact O-CB 3.29Å; T101-Q104 PolarHBondContact O-N 3.06Å; Y102-Q104 VanDerWaalsContact C-N 3.3Å; Y102-Q104 PolarHBondContact O-N 3.28Å
105	M	55.7	Low	57.9	Low	148 Å²	148	100.8 Å²	100.8	73%	0.729	55%	0.546	S	S	*	.	H	α-helix	trans	-80.4	-29	177.6	-73.1	-163.7	-138.1	0	0	112.8	T101 Y102	T101-M105 HydrophobicContact CG2-CE 3.39Å; T101-M105 HydrophobicContact CG2-CG 4.46Å; T101-M105 WeakPolarHBondContact O-CB 3.49Å; T101-M105 VanDerWaalsContact O-CG 3.31Å; T101-M105 WeakPolarHBondContact O-CG 2.91Å; T101-M105 PolarHBondContact O-N 3.33Å; Y102-M105 PolarHBondContact O-N 3.43Å
106	T	58.1	Low	55.9	Low	79 Å²	79	107.3 Å²	107.3	49%	0.485	57%	0.572	S	S	.	*	H	α-helix	trans	-94	-6.6	178.3	55.5	0	0	0	0	113.5	Y102	Y102-T106 HydrophobicContact CD1-CG2 4.14Å; Y102-T106 HydrophobicContact CD2-CG2 4.08Å; Y102-T106 HydrophobicContact CE1-CG2 3.73Å; Y102-T106 HydrophobicContact CE2-CG2 3.67Å; Y102-T106 HydrophobicContact CG-CG2 4.31Å; Y102-T106 VanDerWaalsContact CZ-CG2 3.48Å; Y102-T106 WeakPolarHBondContact O-CB 3.17Å; Y102-T106 WeakPolarHBondContact O-CG2 3.35Å; Y102-T106 PolarHBondContact O-N 3.01Å; Y102-T106 PolarHBondContact O-OG1 2.98Å
107	T	47.8	Very low	54.3	Low	74 Å²	74	105.1 Å²	105.1	45%	0.454	57%	0.569	S	S	.	*	S	Bend	trans	-95.2	125.1	167.4	49.7	0	0	0	0	109.3	A103 N109	A103-T107 VanDerWaalsContact O-CB 3.28Å; A103-T107 WeakPolarHBondContact O-CB 3.29Å; A103-T107 WeakPolarHBondContact O-CG2 3.31Å; A103-T107 PolarHBondContact O-N 3.19Å; A103-T107 PolarHBondContact O-OG1 3.35Å; T107-N109 PolarHBondContact O-N 2.89Å
108	D	45.3	Very low	52.8	Low	167 Å²	167	109.4 Å²	109.4	89%	0.893	59%	0.589	S	S	*	*	S	Bend	trans	-65.7	16.4	178.6	-70.3	-39.4	0	0	0	114.2
109	N	41.3	Very low	51.5	Low	60 Å²	60	110.5 Å²	110.5	32%	0.321	59%	0.591	S	S	.	*	S	Bend	trans	-154.4	99.7	-179.9	-94.7	-52.9	0	0	0	110.5	T107 R111	T107-N109 PolarHBondContact O-N 2.89Å; N109-R111 PolarHBondContact O-N 3.05Å; N109-R111 VanDerWaalsContact O-N 3.08Å
110	P	37	Very low	50.4	Low	92 Å²	92	110 Å²	110	60%	0.597	60%	0.597	S	S	*	*			trans	-68.8	112.8	176.2	26.9	-30.7	0	0	0	109.7	I112	P110-I112 PolarHBondContact O-N 3.21Å
111	R	39.4	Very low	49.7	Very low	172 Å²	172	110.4 Å²	110.4	65%	0.649	60%	0.603	S	S	*	*			trans	-66.4	107.4	169.3	-73.4	-180	168.5	176	-5.9	109.1	N109 G113 E475	N109-R111 PolarHBondContact O-N 3.05Å; N109-R111 VanDerWaalsContact O-N 3.08Å; R111-G113 PolarHBondContact O-N 3.42Å; R111-E475 IonicContact CZ-OE2 3.98Å; R111-E475 IonicContact NE-OE2 3.92Å; R111-E475 IonicContact NH2-OE2 3.5Å; R111-E475 PolarHBondContact NH2-OE2 3.29Å
112	I	42	Very low	49.5	Very low	164 Å²	164	111.2 Å²	111.2	84%	0.841	61%	0.608	S	S	*	*			trans	-80.1	71.2	162.1	-52.1	177.2	0	0	0	107	P110	P110-I112 PolarHBondContact O-N 3.21Å
113	G	39.3	Very low	48.9	Very low	41 Å²	41	105.6 Å²	105.6	42%	0.423	59%	0.591	S	S	.	*			trans	-87.1	139.2	165.1	0	0	0	0	0	108.5	R111 Q115	R111-G113 PolarHBondContact O-N 3.42Å; G113-Q115 PolarHBondContact O-N 3.27Å
114	G	45	Very low	48.4	Very low	93 Å²	93	103.4 Å²	103.4	96%	0.959	57%	0.574	S	S	*	*			trans	-65.3	50	174.5	0	0	0	0	0	114.2
115	Q	41.5	Very low	48.5	Very low	134 Å²	134	105 Å²	105	63%	0.626	59%	0.589	S	S	*	*			trans	-77.5	128.3	155.8	-73.6	-167.7	-22.6	0	0	107	G113 T117	G113-Q115 PolarHBondContact O-N 3.27Å; Q115-T117 PolarHBondContact O-N 3.13Å
116	Q	40.8	Very low	48.8	Very low	202 Å²	202	101.1 Å²	101.1	94%	0.944	57%	0.571	S	S	*	*			trans	-59.3	83	164.5	-73.6	-175.3	-17.1	0	0	108.1
117	T	46.2	Very low	49.1	Very low	75 Å²	75	98.8 Å²	98.8	46%	0.46	56%	0.555	S	S	.	*			trans	-72.4	129.9	167.3	48.9	0	0	0	0	105.5	Q115 Q119	Q115-T117 PolarHBondContact O-N 3.13Å; T117-Q119 PolarHBondContact O-N 3.17Å
118	L	42.4	Very low	50.3	Low	146 Å²	146	98.5 Å²	98.5	76%	0.764	56%	0.555	S	S	*	*			trans	-66.7	89.4	176.7	-143.1	126.9	0	0	0	106.4	V120	L118-V120 PolarHBondContact O-N 3.1Å
119	Q	50.3	Low	51.7	Low	141 Å²	141	93.8 Å²	93.8	66%	0.659	53%	0.532	S	S	*	.			trans	-65.6	119.7	179.7	-82.5	-173	-10.6	0	0	107.7	T117 V121	T117-Q119 PolarHBondContact O-N 3.17Å; Q119-V121 PolarHBondContact O-N 3.09Å; Q119-V121 VanDerWaalsContact O-N 3.14Å
120	V	54.9	Low	53.4	Low	116 Å²	116	95.2 Å²	95.2	70%	0.703	55%	0.547	S	S	*	.			trans	-59.4	120.8	172.4	179.7	0	0	0	0	107.1	L118 V122 N126	L118-V120 PolarHBondContact O-N 3.1Å; V120-V122 HydrophobicContact CG1-CG2 4.24Å; V120-V122 PolarHBondContact O-N 3.27Å; V120-V122 VanDerWaalsContact O-N 3.11Å; V120-N126 PolarHBondContact O-ND2 3.06Å
121	V	55.8	Low	55.3	Low	72 Å²	72	95.5 Å²	95.5	44%	0.436	54%	0.54	S	S	.	.			trans	-68.7	110.5	176.9	-179.9	0	0	0	0	107.7	Q119 P123 L127 F135	Q119-V121 PolarHBondContact O-N 3.09Å; Q119-V121 VanDerWaalsContact O-N 3.14Å; V121-P123 WeakPolarHBondContact O-CD 3.38Å; V121-L127 HydrophobicContact CG1-CB 4.28Å; V121-L127 HydrophobicContact CG1-CD1 3.65Å; V121-F135 HydrophobicContact CG1-CE2 4.27Å; V121-F135 HydrophobicContact CG1-CZ 4.33Å
122	V	62.5	Low	57.1	Low	67 Å²	67	88.4 Å²	88.4	41%	0.406	52%	0.515	S	S	.	.			trans	-111	102.6	176.6	-177.9	0	0	0	0	107.5	V120 G124 V125 N126	V120-V122 HydrophobicContact CG1-CG2 4.24Å; V120-V122 PolarHBondContact O-N 3.27Å; V120-V122 VanDerWaalsContact O-N 3.11Å; V122-G124 PolarHBondContact O-N 3.01Å; V122-V125 HydrophobicContact CB-CB 4.04Å; V122-V125 HydrophobicContact CB-CG2 4.31Å; V122-V125 HydrophobicContact CG1-CB 3.95Å; V122-V125 HydrophobicContact CG1-CG2 3.65Å; V122-V125 PolarHBondContact O-N 2.92Å; V122-N126 PolarHBondContact N-OD1 3.21Å; V122-N126 PolarHBondContact O-N 3.23Å; V122-N126 PolarHBondContact O-OD1 3.41Å
123	P	57.6	Low	59	Low	41 Å²	41	83.4 Å²	83.4	27%	0.266	50%	0.498	S	S	.	.	B	Isolated β-bridge	trans	-41.1	120.4	175.2	-36.9	40.8	0	0	0	113.2	V121 V125 L132 F135	V121-P123 WeakPolarHBondContact O-CD 3.38Å; P123-V125 VanDerWaalsContact C-N 3.3Å; P123-V125 PolarHBondContact O-N 3.25Å; P123-L132 HydrophobicContact CB-CD2 3.54Å; P123-L132 HydrophobicContact CG-CD2 4.38Å; P123-F135 HydrophobicContact CG-CD1 4.39Å; P123-F135 HydrophobicContact CG-CE1 4.03Å
124	G	54.9	Low	61	Low	3 Å²	3	90 Å²	90	3%	0.031	51%	0.512	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	-3	177.6	0	0	0	0	0	116.7	M1 I2 V122 L127	M1-G124 CarbonylContact C-O 3.5Å; M1-G124 WeakPolarHBondContact CA-O 3.49Å; M1-G124 PolarHBondContact N-O 3.04Å; I2-G124 PolarHBondContact N-O 3.07Å; V122-G124 PolarHBondContact O-N 3.01Å; G124-L127 WeakPolarHBondContact CA-O 3.22Å; G124-L127 PolarHBondContact N-O 2.71Å; G124-L127 VanDerWaalsContact N-O 3.12Å
125	V	61.3	Low	62.8	Low	118 Å²	118	88.6 Å²	88.6	72%	0.715	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-55	167.7	179.6	0	0	0	0	110	V122 P123	V122-V125 HydrophobicContact CB-CB 4.04Å; V122-V125 HydrophobicContact CB-CG2 4.31Å; V122-V125 HydrophobicContact CG1-CB 3.95Å; V122-V125 HydrophobicContact CG1-CG2 3.65Å; V122-V125 PolarHBondContact O-N 2.92Å; P123-V125 VanDerWaalsContact C-N 3.3Å; P123-V125 PolarHBondContact O-N 3.25Å
126	N	62.5	Low	64.9	Low	67 Å²	67	84 Å²	84	36%	0.358	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-2.5	177.5	63.6	-4.3	0	0	0	114.3	V120 V122	V120-N126 PolarHBondContact O-ND2 3.06Å; V122-N126 PolarHBondContact N-OD1 3.21Å; V122-N126 PolarHBondContact O-N 3.23Å; V122-N126 PolarHBondContact O-OD1 3.41Å
127	L	64.1	Low	67.1	Low	30 Å²	30	79.1 Å²	79.1	16%	0.157	44%	0.437	C	S	.	.	B	Isolated β-bridge	trans	-114.9	127.6	173.7	-155	110	0	0	0	110.4	V121 G124 Q131 L132 F135	V121-L127 HydrophobicContact CG1-CB 4.28Å; V121-L127 HydrophobicContact CG1-CD1 3.65Å; G124-L127 WeakPolarHBondContact CA-O 3.22Å; G124-L127 PolarHBondContact N-O 2.71Å; G124-L127 VanDerWaalsContact N-O 3.12Å; L127-Q131 HydrophobicContact CD2-CB 3.85Å; L127-Q131 HydrophobicContact CG-CB 4.41Å; L127-L132 HydrophobicContact CD2-CD2 4.17Å; L127-F135 HydrophobicContact CD2-CB 4.19Å; L127-F135 HydrophobicContact CD2-CG 4.47Å
128	P	73.3	Confident	69	Low	68 Å²	68	78.2 Å²	78.2	44%	0.442	44%	0.437	S	S	.	.			trans	-57.7	144.4	176.9	-24.5	33.7	0	0	0	112.6	S130 Q131	P128-S130 PolarHBondContact O-N 3.05Å; P128-Q131 HydrophobicContact CB-CG 4.45Å; P128-Q131 PolarHBondContact O-N 2.83Å
129	T	73.5	Confident	71.1	Confident	67 Å²	67	73.7 Å²	73.7	41%	0.411	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-62.2	-30.1	-179	47.8	0	0	0	0	113	Q131 L132	T129-Q131 PolarHBondContact O-N 2.75Å; T129-L132 HydrophobicContact CG2-CD1 4.25Å; T129-L132 WeakPolarHBondContact O-CB 3.34Å; T129-L132 WeakPolarHBondContact O-CG 3.49Å; T129-L132 PolarHBondContact O-N 2.83Å
130	S	76.3	Confident	73	Confident	91 Å²	91	69.2 Å²	69.2	64%	0.636	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-64.2	-23.6	175.6	55.1	0	0	0	0	113.6	P128	P128-S130 PolarHBondContact O-N 3.05Å
131	Q	77.1	Confident	74.6	Confident	97 Å²	97	68.8 Å²	68.8	45%	0.453	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-93.8	-6.2	-178.5	-63.8	-175.7	-1.4	0	0	113.4	L127 P128 T129 A133 Y134 F135	L127-Q131 HydrophobicContact CD2-CB 3.85Å; L127-Q131 HydrophobicContact CG-CB 4.41Å; P128-Q131 HydrophobicContact CB-CG 4.45Å; P128-Q131 PolarHBondContact O-N 2.83Å; T129-Q131 PolarHBondContact O-N 2.75Å; Q131-A133 VanDerWaalsContact C-N 3.3Å; Q131-A133 PolarHBondContact O-N 2.91Å; Q131-Y134 PolarHBondContact O-N 2.9Å; Q131-F135 PolarHBondContact O-N 3.12Å
132	L	78.9	Confident	76.3	Confident	23 Å²	23	66.9 Å²	66.9	12%	0.12	38%	0.376	C	S	.	.	H	α-helix	trans	-60	-38.4	-177.3	-69.6	175.3	0	0	0	113	P123 L127 T129 F135 F136	P123-L132 HydrophobicContact CB-CD2 3.54Å; P123-L132 HydrophobicContact CG-CD2 4.38Å; L127-L132 HydrophobicContact CD2-CD2 4.17Å; T129-L132 HydrophobicContact CG2-CD1 4.25Å; T129-L132 WeakPolarHBondContact O-CB 3.34Å; T129-L132 WeakPolarHBondContact O-CG 3.49Å; T129-L132 PolarHBondContact O-N 2.83Å; L132-F135 PolarHBondContact O-N 3.47Å; L132-F136 HydrophobicContact CB-CD2 4.31Å; L132-F136 HydrophobicContact CB-CE2 4.07Å; L132-F136 HydrophobicContact CD2-CE2 4.38Å; L132-F136 WeakPolarHBondContact O-CB 3.43Å; L132-F136 WeakPolarHBondContact O-CD2 3.32Å; L132-F136 WeakPolarHBondContact O-CG 3.2Å; L132-F136 PolarHBondContact O-N 3.34Å
133	A	80.3	Confident	77.6	Confident	60 Å²	60	64.5 Å²	64.5	50%	0.496	37%	0.365	S	S	.	.	H	α-helix	trans	-62.2	-47.9	179	0	0	0	0	0	111.4	Q131 F135 F136 I137	Q131-A133 VanDerWaalsContact C-N 3.3Å; Q131-A133 PolarHBondContact O-N 2.91Å; A133-F135 VanDerWaalsContact C-N 3.33Å; A133-F135 PolarHBondContact O-N 3.45Å; A133-F136 PolarHBondContact O-N 3.45Å; A133-I137 WeakPolarHBondContact O-CB 3.44Å; A133-I137 WeakPolarHBondContact O-CD1 3.19Å; A133-I137 WeakPolarHBondContact O-CG1 3.36Å; A133-I137 PolarHBondContact O-N 2.72Å
134	Y	81.2	Confident	79.2	Confident	180 Å²	180	64.8 Å²	64.8	71%	0.706	37%	0.366	S	S	*	.	H	α-helix	trans	-62.1	-42	176.7	-63.3	-73.4	0	0	0	111.9	Q131 I137 A138	Q131-Y134 PolarHBondContact O-N 2.9Å; Y134-I137 PolarHBondContact O-N 3.22Å; Y134-A138 VanDerWaalsContact O-CB 3.31Å; Y134-A138 WeakPolarHBondContact O-CB 3.49Å; Y134-A138 PolarHBondContact O-N 3.31Å
135	F	83.1	Confident	81	Confident	62 Å²	62	67.3 Å²	67.3	27%	0.272	38%	0.379	S	S	.	.	H	α-helix	trans	-62.8	-47.3	178.3	-176.9	-105.6	0	0	0	112.3	V121 P123 L127 Q131 L132 A133 A138 L139	V121-F135 HydrophobicContact CG1-CE2 4.27Å; V121-F135 HydrophobicContact CG1-CZ 4.33Å; P123-F135 HydrophobicContact CG-CD1 4.39Å; P123-F135 HydrophobicContact CG-CE1 4.03Å; L127-F135 HydrophobicContact CD2-CB 4.19Å; L127-F135 HydrophobicContact CD2-CG 4.47Å; Q131-F135 PolarHBondContact O-N 3.12Å; L132-F135 PolarHBondContact O-N 3.47Å; A133-F135 VanDerWaalsContact C-N 3.33Å; A133-F135 PolarHBondContact O-N 3.45Å; F135-A138 PolarHBondContact O-N 2.92Å; F135-L139 HydrophobicContact CD1-CD1 3.71Å; F135-L139 HydrophobicContact CD1-CG 4.47Å; F135-L139 HydrophobicContact CE1-CD1 3.24Å; F135-L139 HydrophobicContact CE1-CG 4.16Å; F135-L139 HydrophobicContact CE2-CD1 4.39Å; F135-L139 HydrophobicContact CG-CD1 4.47Å; F135-L139 HydrophobicContact CZ-CD1 3.63Å; F135-L139 HydrophobicContact CZ-CG 4.18Å; F135-L139 WeakPolarHBondContact O-CB 3.37Å; F135-L139 WeakPolarHBondContact O-CG 3.46Å; F135-L139 PolarHBondContact O-N 2.82Å
136	F	86.4	Confident	82.5	Confident	38 Å²	38	63.5 Å²	63.5	17%	0.167	35%	0.353	C	S	.	.	H	α-helix	trans	-67.9	-36.5	178.2	-69.6	-44.8	0	0	0	112.9	L132 A133 L139 L140 V171 P173	L132-F136 HydrophobicContact CB-CD2 4.31Å; L132-F136 HydrophobicContact CB-CE2 4.07Å; L132-F136 HydrophobicContact CD2-CE2 4.38Å; L132-F136 WeakPolarHBondContact O-CB 3.43Å; L132-F136 WeakPolarHBondContact O-CD2 3.32Å; L132-F136 WeakPolarHBondContact O-CG 3.2Å; L132-F136 PolarHBondContact O-N 3.34Å; A133-F136 PolarHBondContact O-N 3.45Å; F136-L139 HydrophobicContact CD1-CD1 4.33Å; F136-L139 PolarHBondContact O-N 3.41Å; F136-L140 WeakPolarHBondContact O-CB 3.34Å; F136-L140 PolarHBondContact O-N 3.14Å; F136-V171 HydrophobicContact CE2-CB 4.25Å; F136-V171 HydrophobicContact CE2-CG2 4.14Å; F136-V171 HydrophobicContact CZ-CB 4.26Å; F136-V171 HydrophobicContact CZ-CG2 3.73Å; F136-P173 HydrophobicContact CB-CG 3.9Å; F136-P173 WeakPolarHBondContact O-CG 3.44Å
137	I	86	Confident	84	Confident	99 Å²	99	62.1 Å²	62.1	51%	0.508	34%	0.344	S	S	.	.	H	α-helix	trans	-63.1	-45.8	173.1	-70	165.7	0	0	0	110.4	A133 Y134 L139 L140 L141	A133-I137 WeakPolarHBondContact O-CB 3.44Å; A133-I137 WeakPolarHBondContact O-CD1 3.19Å; A133-I137 WeakPolarHBondContact O-CG1 3.36Å; A133-I137 PolarHBondContact O-N 2.72Å; Y134-I137 PolarHBondContact O-N 3.22Å; I137-L139 PolarHBondContact O-N 3.42Å; I137-L140 PolarHBondContact O-N 2.97Å; I137-L141 HydrophobicContact CG2-CD1 3.93Å; I137-L141 HydrophobicContact CG2-CG 4.42Å; I137-L141 WeakPolarHBondContact O-CG 3.46Å; I137-L141 PolarHBondContact O-N 2.96Å
138	A	86.8	Confident	85.3	Confident	56 Å²	56	63.5 Å²	63.5	46%	0.463	35%	0.351	S	S	.	.	H	α-helix	trans	-62.7	-42.3	178.2	0	0	0	0	0	112.1	Y134 F135 L141 S142	Y134-A138 VanDerWaalsContact O-CB 3.31Å; Y134-A138 WeakPolarHBondContact O-CB 3.49Å; Y134-A138 PolarHBondContact O-N 3.31Å; F135-A138 PolarHBondContact O-N 2.92Å; A138-L141 PolarHBondContact O-N 2.88Å; A138-S142 VanDerWaalsContact O-CB 3.23Å; A138-S142 WeakPolarHBondContact O-CB 3.19Å; A138-S142 PolarHBondContact O-N 3.32Å
139	L	86.8	Confident	86.3	Confident	51 Å²	51	60.2 Å²	60.2	27%	0.267	33%	0.33	S	S	.	.	H	α-helix	trans	-62.2	-43.9	175	-79.5	174.5	0	0	0	112.4	F135 F136 I137 S142 G143 Y172	F135-L139 HydrophobicContact CD1-CD1 3.71Å; F135-L139 HydrophobicContact CD1-CG 4.47Å; F135-L139 HydrophobicContact CE1-CD1 3.24Å; F135-L139 HydrophobicContact CE1-CG 4.16Å; F135-L139 HydrophobicContact CE2-CD1 4.39Å; F135-L139 HydrophobicContact CG-CD1 4.47Å; F135-L139 HydrophobicContact CZ-CD1 3.63Å; F135-L139 HydrophobicContact CZ-CG 4.18Å; F135-L139 WeakPolarHBondContact O-CB 3.37Å; F135-L139 WeakPolarHBondContact O-CG 3.46Å; F135-L139 PolarHBondContact O-N 2.82Å; F136-L139 HydrophobicContact CD1-CD1 4.33Å; F136-L139 PolarHBondContact O-N 3.41Å; I137-L139 PolarHBondContact O-N 3.42Å; L139-S142 PolarHBondContact O-N 3.27Å; L139-G143 PolarHBondContact O-N 2.79Å; L139-Y172 HydrophobicContact CD1-CD2 4.28Å; L139-Y172 HydrophobicContact CD1-CE2 3.89Å
140	L	89.1	Confident	87.2	Confident	47 Å²	47	58.2 Å²	58.2	25%	0.246	32%	0.316	C	S	.	.	H	α-helix	trans	-63.4	-47.5	177.5	178.7	58.4	0	0	0	111.5	F136 I137 S142 G143 V144 M166 P173	F136-L140 WeakPolarHBondContact O-CB 3.34Å; F136-L140 PolarHBondContact O-N 3.14Å; I137-L140 PolarHBondContact O-N 2.97Å; L140-S142 VanDerWaalsContact C-N 3.35Å; L140-S142 PolarHBondContact O-N 2.86Å; L140-G143 PolarHBondContact O-N 2.84Å; L140-V144 HydrophobicContact CD1-CG2 4.28Å; L140-V144 WeakPolarHBondContact O-CG2 3.29Å; L140-V144 PolarHBondContact O-N 3.31Å; L140-M166 HydrophobicContact CD1-CG 4.46Å; L140-M166 HydrophobicContact CD1-SD 4.03Å; L140-P173 HydrophobicContact CB-CB 4.09Å; L140-P173 HydrophobicContact CB-CG 3.98Å; L140-P173 HydrophobicContact CD1-CB 4.17Å; L140-P173 HydrophobicContact CD2-CB 4.23Å; L140-P173 HydrophobicContact CG-CB 4.38Å
141	L	89.3	Confident	87.9	Confident	108 Å²	108	53.9 Å²	53.9	57%	0.565	29%	0.286	S	S	*	.	H	α-helix	trans	-60.8	-44.8	178.4	-71.7	173.3	0	0	0	111.6	I137 A138 V144 I145	I137-L141 HydrophobicContact CG2-CD1 3.93Å; I137-L141 HydrophobicContact CG2-CG 4.42Å; I137-L141 WeakPolarHBondContact O-CG 3.46Å; I137-L141 PolarHBondContact O-N 2.96Å; A138-L141 PolarHBondContact O-N 2.88Å; L141-V144 PolarHBondContact O-N 2.64Å; L141-I145 WeakPolarHBondContact O-CG1 3.31Å; L141-I145 PolarHBondContact O-N 3.35Å
142	S	91.2	Very high	88.6	Confident	31 Å²	31	49.8 Å²	49.8	22%	0.217	27%	0.267	C	S	.	.	H	α-helix	trans	-61.2	-46.2	174.7	-177.9	0	0	0	0	111.4	A138 L139 L140 V144 I145 H146 N203	A138-S142 VanDerWaalsContact O-CB 3.23Å; A138-S142 WeakPolarHBondContact O-CB 3.19Å; A138-S142 PolarHBondContact O-N 3.32Å; L139-S142 PolarHBondContact O-N 3.27Å; L140-S142 VanDerWaalsContact C-N 3.35Å; L140-S142 PolarHBondContact O-N 2.86Å; S142-V144 PolarHBondContact O-N 3.27Å; S142-I145 PolarHBondContact O-N 3.09Å; S142-H146 WeakPolarHBondContact O-CB 3.23Å; S142-H146 PolarHBondContact O-N 3.32Å; S142-N203 PolarHBondContact O-OD1 3.13Å
143	G	89.9	Confident	89.2	Confident	17 Å²	17	48.8 Å²	48.8	18%	0.175	26%	0.262	C	S	.	.	H	α-helix	trans	-60.4	-41.3	177.1	0	0	0	0	0	113.1	L139 L140 I145 H146 E147	L139-G143 PolarHBondContact O-N 2.79Å; L140-G143 PolarHBondContact O-N 2.84Å; G143-I145 VanDerWaalsContact C-N 3.34Å; G143-I145 PolarHBondContact O-N 3.24Å; G143-H146 WeakPolarHBondContact O-CB 3.35Å; G143-H146 PolarHBondContact O-N 3.14Å; G143-E147 WeakPolarHBondContact O-CB 3.3Å; G143-E147 VanDerWaalsContact O-CG 3.25Å; G143-E147 WeakPolarHBondContact O-CG 3.39Å; G143-E147 PolarHBondContact O-N 2.9Å
144	V	91.6	Very high	89.7	Confident	48 Å²	48	45.9 Å²	45.9	29%	0.291	24%	0.239	S	C	.	.	H	α-helix	trans	-61.6	-43.8	176.1	168	0	0	0	0	111.3	L140 L141 S142 L148 F164 A175	L140-V144 HydrophobicContact CD1-CG2 4.28Å; L140-V144 WeakPolarHBondContact O-CG2 3.29Å; L140-V144 PolarHBondContact O-N 3.31Å; L141-V144 PolarHBondContact O-N 2.64Å; S142-V144 PolarHBondContact O-N 3.27Å; V144-L148 WeakPolarHBondContact O-CB 3.23Å; V144-L148 PolarHBondContact O-N 3.25Å; V144-F164 HydrophobicContact CB-CZ 4.33Å; V144-F164 HydrophobicContact CG1-CZ 3.98Å; V144-F164 HydrophobicContact CG2-CZ 4.2Å; V144-A175 HydrophobicContact CG2-CB 3.98Å
145	I	92	Very high	90.2	Very high	56 Å²	56	39.5 Å²	39.5	29%	0.287	22%	0.217	S	C	.	.	H	α-helix	trans	-67.5	-38.9	177.9	-68.6	170.6	0	0	0	111.1	L141 S142 G143 L148 G149 H202 L206	L141-I145 WeakPolarHBondContact O-CG1 3.31Å; L141-I145 PolarHBondContact O-N 3.35Å; S142-I145 PolarHBondContact O-N 3.09Å; G143-I145 VanDerWaalsContact C-N 3.34Å; G143-I145 PolarHBondContact O-N 3.24Å; I145-L148 WeakPolarHBondContact O-CB 3.37Å; I145-L148 PolarHBondContact O-N 2.77Å; I145-G149 PolarHBondContact O-N 3.13Å; I145-H202 HydrophobicContact CG2-CB 4.07Å; I145-L206 HydrophobicContact CD1-CD1 3.8Å; I145-L206 HydrophobicContact CD1-CD2 3.79Å; I145-L206 HydrophobicContact CD1-CG 4.4Å
146	H	94.2	Very high	90.5	Very high	38 Å²	38	40.7 Å²	40.7	18%	0.176	22%	0.219	C	C	.	.	H	α-helix	trans	-57.5	-53.1	175.3	-169.6	97.7	0	0	0	111.8	S142 G143 L148 G149 H150 G199 V200 N203	S142-H146 WeakPolarHBondContact O-CB 3.23Å; S142-H146 PolarHBondContact O-N 3.32Å; G143-H146 WeakPolarHBondContact O-CB 3.35Å; G143-H146 PolarHBondContact O-N 3.14Å; H146-L148 VanDerWaalsContact C-N 3.35Å; H146-L148 PolarHBondContact O-N 3.44Å; H146-G149 WeakPolarHBondContact O-CA 3.39Å; H146-G149 PolarHBondContact O-N 2.71Å; H146-G149 VanDerWaalsContact O-N 3.07Å; H146-H150 AromaticContact CD2-CD2 3.69Å; H146-H150 AromaticContact CD2-NE2 3.35Å; H146-H150 PolarHBondContact CD2-NE2 3.17Å; H146-H150 VanDerWaalsContact CD2-NE2 3.35Å; H146-H150 AromaticContact NE2-CD2 3.99Å; H146-H150 AromaticContact NE2-NE2 3.16Å; H146-H150 PolarHBondContact NE2-NE2 3.44Å; H146-H150 VanDerWaalsContact NE2-NE2 3.16Å; H146-H150 PolarHBondContact O-N 3.48Å; H146-G199 PolarHBondContact ND1-O 2.94Å; H146-G199 VanDerWaalsContact ND1-O 3.09Å; H146-G199 WeakPolarHBondContact O-CA 3.38Å; H146-V200 PolarHBondContact CE1-N 2.88Å; H146-N203 WeakPolarHBondContact CB-OD1 3.48Å; H146-N203 PolarHBondContact ND1-ND2 3.08Å
147	E	93.5	Very high	90.6	Very high	37 Å²	37	39.9 Å²	39.9	17%	0.173	22%	0.216	C	C	.	.	H	α-helix	trans	-71.2	-30.9	-176.5	-64.9	-62.3	145.8	0	0	112.4	G143 G149 H150 A151 F164 A175 F176 V177	G143-E147 WeakPolarHBondContact O-CB 3.3Å; G143-E147 VanDerWaalsContact O-CG 3.25Å; G143-E147 WeakPolarHBondContact O-CG 3.39Å; G143-E147 PolarHBondContact O-N 2.9Å; E147-G149 PolarHBondContact O-N 2.82Å; E147-H150 PolarHBondContact O-N 3.47Å; E147-H150 IonicContact OE1-CD2 3.98Å; E147-H150 IonicContact OE2-CD2 3.79Å; E147-A151 PolarHBondContact O-N 3.46Å; E147-F164 HydrophobicContact CB-CD2 4.39Å; E147-F164 HydrophobicContact CB-CE2 3.67Å; E147-A175 HydrophobicContact CB-CB 4.39Å; E147-A175 HydrophobicContact CG-CB 3.93Å; E147-F176 WeakPolarHBondContact OE2-CA 3.23Å; E147-V177 WeakPolarHBondContact OE2-CG1 3.37Å; E147-V177 PolarHBondContact OE2-N 3.26Å
148	L	91.8	Very high	90.7	Very high	59 Å²	59	39.9 Å²	39.9	31%	0.309	23%	0.225	S	C	.	.	H	α-helix	trans	-56.9	-41.1	168.1	174.4	68.1	0	0	0	111.2	F61 V144 I145 H146 A151 V152	F61-L148 HydrophobicContact CD1-CD1 3.44Å; F61-L148 VanDerWaalsContact CD1-CD1 3.44Å; F61-L148 HydrophobicContact CE1-CD1 3.27Å; F61-L148 HydrophobicContact CZ-CD1 4.32Å; V144-L148 WeakPolarHBondContact O-CB 3.23Å; V144-L148 PolarHBondContact O-N 3.25Å; I145-L148 WeakPolarHBondContact O-CB 3.37Å; I145-L148 PolarHBondContact O-N 2.77Å; H146-L148 VanDerWaalsContact C-N 3.35Å; H146-L148 PolarHBondContact O-N 3.44Å; L148-A151 PolarHBondContact O-N 2.87Å; L148-V152 HydrophobicContact CD1-CG2 4Å; L148-V152 HydrophobicContact CG-CG2 4.45Å; L148-V152 WeakPolarHBondContact O-CG2 3.46Å; L148-V152 PolarHBondContact O-N 2.66Å
149	G	92.5	Very high	90.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-57.7	-49.1	175.5	0	0	0	0	0	112.7	I145 H146 E147 A151 A153 A198 H202	I145-G149 PolarHBondContact O-N 3.13Å; H146-G149 WeakPolarHBondContact O-CA 3.39Å; H146-G149 PolarHBondContact O-N 2.71Å; H146-G149 VanDerWaalsContact O-N 3.07Å; E147-G149 PolarHBondContact O-N 2.82Å; G149-A151 PolarHBondContact O-N 2.93Å; G149-A153 VanDerWaalsContact O-CB 3.29Å; G149-A153 WeakPolarHBondContact O-CB 3.44Å; G149-A153 PolarHBondContact O-N 3.46Å; G149-A198 WeakPolarHBondContact O-CB 3.49Å; G149-H202 WeakPolarHBondContact CA-CE1 3.45Å; G149-H202 WeakPolarHBondContact CA-ND1 3.21Å; G149-H202 PolarHBondContact N-ND1 3.16Å
150	H	93.6	Very high	90.9	Very high	25 Å²	25	42.4 Å²	42.4	12%	0.116	22%	0.219	C	C	.	.	H	α-helix	trans	-59.8	-44.8	175.2	-66.3	-48.7	0	0	0	112.3	H146 E147 A153 A154 V177 I195 F196 G199	H146-H150 AromaticContact CD2-CD2 3.69Å; H146-H150 AromaticContact CD2-NE2 3.35Å; H146-H150 PolarHBondContact CD2-NE2 3.17Å; H146-H150 VanDerWaalsContact CD2-NE2 3.35Å; H146-H150 AromaticContact NE2-CD2 3.99Å; H146-H150 AromaticContact NE2-NE2 3.16Å; H146-H150 PolarHBondContact NE2-NE2 3.44Å; H146-H150 VanDerWaalsContact NE2-NE2 3.16Å; H146-H150 PolarHBondContact O-N 3.48Å; E147-H150 PolarHBondContact O-N 3.47Å; E147-H150 IonicContact OE1-CD2 3.98Å; E147-H150 IonicContact OE2-CD2 3.79Å; H150-A153 PolarHBondContact O-N 2.91Å; H150-A154 WeakPolarHBondContact O-CB 3.49Å; H150-A154 PolarHBondContact O-N 3.16Å; H150-V177 HydrophobicContact CB-CG1 3.61Å; H150-I195 PolarHBondContact CE1-O 3.16Å; H150-I195 PolarHBondContact ND1-O 3.22Å; H150-F196 PolarHBondContact CE1-O 2.95Å; H150-F196 VanDerWaalsContact CE1-O 3.29Å; H150-G199 PolarHBondContact CE1-N 2.84Å
151	A	91.2	Very high	90.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.3	-46.9	-179	0	0	0	0	0	112.7	F61 E147 L148 G149 L155 V161 V177	F61-A151 HydrophobicContact CD2-CB 3.79Å; F61-A151 HydrophobicContact CE2-CB 4.03Å; F61-A151 HydrophobicContact CG-CB 4.06Å; F61-A151 HydrophobicContact CZ-CB 4.48Å; E147-A151 PolarHBondContact O-N 3.46Å; L148-A151 PolarHBondContact O-N 2.87Å; G149-A151 PolarHBondContact O-N 2.93Å; A151-L155 WeakPolarHBondContact O-CG 3.46Å; A151-L155 PolarHBondContact O-N 2.84Å; A151-L155 VanDerWaalsContact O-N 3.17Å; A151-V161 HydrophobicContact CB-CG2 4.37Å; A151-V177 HydrophobicContact CB-CB 4.41Å; A151-V177 HydrophobicContact CB-CG2 3.75Å
152	V	91.8	Very high	90.7	Very high	10 Å²	10	37.8 Å²	37.8	6%	0.061	20%	0.195	C	C	.	.	H	α-helix	trans	-71.3	-39.2	-178.6	177.3	0	0	0	0	111.2	C64 A65 L72 F76 L148 R156	C64-V152 HydrophobicContact CB-CG1 4.4Å; C64-V152 HydrophobicContact CB-CG2 4.09Å; A65-V152 HydrophobicContact CB-CG1 4.34Å; L72-V152 HydrophobicContact CD2-CG1 4.43Å; F76-V152 HydrophobicContact CE2-CG1 4.03Å; F76-V152 HydrophobicContact CZ-CB 4.15Å; F76-V152 HydrophobicContact CZ-CG1 3.92Å; L148-V152 HydrophobicContact CD1-CG2 4Å; L148-V152 HydrophobicContact CG-CG2 4.45Å; L148-V152 WeakPolarHBondContact O-CG2 3.46Å; L148-V152 PolarHBondContact O-N 2.66Å; V152-R156 PolarHBondContact O-N 3.18Å; V152-R156 VanDerWaalsContact O-N 3.16Å
153	A	91.8	Very high	90.5	Very high	2 Å²	2	36.3 Å²	36.3	2%	0.017	19%	0.185	C	C	.	.	H	α-helix	trans	-64.8	-43.2	175.3	0	0	0	0	0	111.9	F76 G149 H150 R156 E157 I195 A198	F76-A153 HydrophobicContact CD1-CB 3.97Å; F76-A153 HydrophobicContact CD2-CB 4.25Å; F76-A153 HydrophobicContact CE1-CB 3.89Å; F76-A153 HydrophobicContact CE2-CB 4.16Å; F76-A153 HydrophobicContact CG-CB 4.17Å; F76-A153 HydrophobicContact CZ-CB 3.98Å; G149-A153 VanDerWaalsContact O-CB 3.29Å; G149-A153 WeakPolarHBondContact O-CB 3.44Å; G149-A153 PolarHBondContact O-N 3.46Å; H150-A153 PolarHBondContact O-N 2.91Å; A153-R156 PolarHBondContact O-N 3.07Å; A153-E157 PolarHBondContact O-N 3.45Å; A153-E157 VanDerWaalsContact O-N 3.08Å; A153-I195 HydrophobicContact CB-CG1 4.3Å; A153-A198 HydrophobicContact CB-CB 3.66Å
154	A	91.1	Very high	90.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-59.3	-49.1	178	0	0	0	0	0	111.8	H150 R156 E157 S158 V159 V161 L179 I195	H150-A154 WeakPolarHBondContact O-CB 3.49Å; H150-A154 PolarHBondContact O-N 3.16Å; A154-R156 VanDerWaalsContact C-N 3.26Å; A154-R156 PolarHBondContact O-N 3.37Å; A154-E157 CarbonylContact O-C 3.55Å; A154-E157 PolarHBondContact O-N 3.26Å; A154-S158 PolarHBondContact O-N 3.5Å; A154-V159 CarbonylContact C-O 3.54Å; A154-V159 HydrophobicContact CB-CB 4.04Å; A154-V159 HydrophobicContact CB-CG1 4.31Å; A154-V159 WeakPolarHBondContact O-CA 3.43Å; A154-V159 WeakPolarHBondContact O-CB 3.47Å; A154-V159 PolarHBondContact O-N 2.91Å; A154-V161 HydrophobicContact CB-CG2 4.41Å; A154-L179 HydrophobicContact CB-CD1 4.08Å; A154-L179 HydrophobicContact CB-CD2 3.63Å; A154-I195 HydrophobicContact CB-CD1 4.24Å; A154-I195 HydrophobicContact CB-CG1 4.46Å; A154-I195 HydrophobicContact CB-CG2 4.15Å
155	L	90.1	Very high	90.6	Very high	46 Å²	46	33.7 Å²	33.7	24%	0.241	17%	0.165	C	C	.	.	H	α-helix	trans	-63.4	-32.1	178.3	-70.3	169.4	0	0	0	112.7	F61 A62 A65 A151 S158 V161	F61-L155 VanDerWaalsContact C-CD1 3.5Å; F61-L155 HydrophobicContact CB-CD1 3.46Å; F61-L155 VanDerWaalsContact CB-CD1 3.46Å; A62-L155 HydrophobicContact CB-CD1 4.32Å; A65-L155 HydrophobicContact CB-CB 3.85Å; A151-L155 WeakPolarHBondContact O-CG 3.46Å; A151-L155 PolarHBondContact O-N 2.84Å; A151-L155 VanDerWaalsContact O-N 3.17Å; L155-S158 PolarHBondContact O-N 2.71Å; L155-V161 HydrophobicContact CD1-CG2 4.06Å; L155-V161 HydrophobicContact CD2-CB 4.37Å; L155-V161 HydrophobicContact CD2-CG2 3.96Å; L155-V161 HydrophobicContact CG-CG2 3.68Å
156	R	89.5	Confident	90.6	Very high	87 Å²	87	34.3 Å²	34.3	33%	0.328	17%	0.167	S	C	.	.	H	α-helix	trans	-69.5	-36.2	176.4	178.2	57.8	-173.6	106.6	-5.3	112.7	V152 A153 A154 S158	V152-R156 PolarHBondContact O-N 3.18Å; V152-R156 VanDerWaalsContact O-N 3.16Å; A153-R156 PolarHBondContact O-N 3.07Å; A154-R156 VanDerWaalsContact C-N 3.26Å; A154-R156 PolarHBondContact O-N 3.37Å; R156-S158 PolarHBondContact O-N 3.2Å
157	E	89.3	Confident	90.4	Very high	21 Å²	21	35 Å²	35	10%	0.098	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	14.5	175.5	-62.6	-67	-178	0	0	112.5	A153 A154 V159 I187 Q191 R194 I195	A153-E157 PolarHBondContact O-N 3.45Å; A153-E157 VanDerWaalsContact O-N 3.08Å; A154-E157 CarbonylContact O-C 3.55Å; A154-E157 PolarHBondContact O-N 3.26Å; E157-V159 VanDerWaalsContact C-N 3.27Å; E157-V159 PolarHBondContact O-N 3.45Å; E157-I187 HydrophobicContact CB-CD1 4.49Å; E157-Q191 HydrophobicContact CB-CB 4.44Å; E157-Q191 HydrophobicContact CG-CB 4.16Å; E157-Q191 VanDerWaalsContact OE2-CG 3.23Å; E157-Q191 WeakPolarHBondContact OE2-CG 3.37Å; E157-Q191 PolarHBondContact OE2-NE2 2.94Å; E157-R194 WeakPolarHBondContact OE1-CD 3.46Å; E157-R194 IonicContact OE1-CZ 3.82Å; E157-R194 IonicContact OE1-NH1 2.84Å; E157-R194 PolarHBondContact OE1-NH1 2.94Å; E157-I195 HydrophobicContact CB-CD1 4.12Å; E157-I195 HydrophobicContact CB-CG1 4.44Å; E157-I195 HydrophobicContact CG-CD1 4.45Å; E157-I195 HydrophobicContact CG-CG1 4.28Å
158	S	88.5	Confident	90.2	Very high	99 Å²	99	36 Å²	36	69%	0.692	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.2	21.1	178.5	-48.5	0	0	0	0	115.2	A154 L155 R156	A154-S158 PolarHBondContact O-N 3.5Å; L155-S158 PolarHBondContact O-N 2.71Å; R156-S158 PolarHBondContact O-N 3.2Å
159	V	89.3	Confident	90	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-89	130	171.7	-179	0	0	0	0	109.5	A154 E157 L179 H183 L184 I187 I195	A154-V159 CarbonylContact C-O 3.54Å; A154-V159 HydrophobicContact CB-CB 4.04Å; A154-V159 HydrophobicContact CB-CG1 4.31Å; A154-V159 WeakPolarHBondContact O-CA 3.43Å; A154-V159 WeakPolarHBondContact O-CB 3.47Å; A154-V159 PolarHBondContact O-N 2.91Å; E157-V159 VanDerWaalsContact C-N 3.27Å; E157-V159 PolarHBondContact O-N 3.45Å; V159-L179 HydrophobicContact CG1-CB 4.5Å; V159-H183 HydrophobicContact CG1-CB 4.24Å; V159-L184 HydrophobicContact CG1-CB 4.26Å; V159-L184 HydrophobicContact CG1-CD1 4.3Å; V159-L184 HydrophobicContact CG2-CD1 4.27Å; V159-I187 HydrophobicContact CG2-CD1 3.71Å; V159-I187 HydrophobicContact CG2-CG1 4.26Å; V159-I187 HydrophobicContact CG2-CG2 4.24Å; V159-I195 HydrophobicContact CB-CD1 4.41Å; V159-I195 HydrophobicContact CG2-CD1 3.89Å
160	R	87.7	Confident	89.7	Confident	158 Å²	158	40.7 Å²	40.7	60%	0.596	20%	0.2	S	C	*	.	P	Polyproline II helix	trans	-76.7	135.3	-178.1	-177	179.3	177.7	177.1	-0.9	110.8	F180	R160-F180 HydrophobicContact CB-CB 4.02Å; R160-F180 WeakPolarHBondContact O-CB 3.48Å; R160-F180 PolarHBondContact O-N 3.23Å
161	V	89.3	Confident	89	Confident	9 Å²	9	42.8 Å²	42.8	6%	0.055	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121.2	170.9	177.4	0	0	0	0	109	N58 F61 A151 A154 L155 V177 L179	N58-V161 PolarHBondContact ND2-O 3.29Å; F61-V161 HydrophobicContact CD2-CG1 4.48Å; A151-V161 HydrophobicContact CB-CG2 4.37Å; A154-V161 HydrophobicContact CB-CG2 4.41Å; L155-V161 HydrophobicContact CD1-CG2 4.06Å; L155-V161 HydrophobicContact CD2-CB 4.37Å; L155-V161 HydrophobicContact CD2-CG2 3.96Å; L155-V161 HydrophobicContact CG-CG2 3.68Å; V161-V177 HydrophobicContact CG1-CG2 3.63Å; V161-V177 HydrophobicContact CG2-CG2 4.46Å; V161-L179 HydrophobicContact CB-CD2 4.46Å; V161-L179 HydrophobicContact CG2-CD2 3.72Å
162	N	86	Confident	88.7	Confident	49 Å²	49	47.7 Å²	47.7	26%	0.262	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-40	177.7	-68.5	-27.3	0	0	0	110.9	T55 N58 D178	T55-N162 WeakPolarHBondContact CG2-O 3.49Å; N58-N162 PolarHBondContact ND2-O 3.22Å; N162-D178 HydrophobicContact CB-CB 4.13Å; N162-D178 WeakPolarHBondContact CB-OD2 3.39Å; N162-D178 PolarHBondContact N-O 2.92Å
163	G	86.6	Confident	88.6	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.2	175.2	175.3	0	0	0	0	0	112.8	T54 D178	T54-G163 WeakPolarHBondContact O-CA 3.21Å; G163-D178 PolarHBondContact O-N 3.17Å
164	F	91.5	Very high	88.5	Confident	11 Å²	11	48.1 Å²	48.1	5%	0.048	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	145.8	174.8	177.9	-87.5	0	0	0	109.1	T54 F57 F61 V144 E147 A175	T54-F164 PolarHBondContact N-O 3.27Å; T54-F164 PolarHBondContact O-N 2.96Å; T54-F164 VanDerWaalsContact O-O 3.1Å; F57-F164 HydrophobicContact CD2-CD1 4.17Å; F61-F164 HydrophobicContact CE2-CB 3.79Å; F61-F164 HydrophobicContact CE2-CD2 4.29Å; F61-F164 HydrophobicContact CE2-CG 4.29Å; F61-F164 HydrophobicContact CZ-CB 3.98Å; F61-F164 AromaticContact CZ-CD2 3.91Å; F61-F164 HydrophobicContact CZ-CD2 3.91Å; F61-F164 HydrophobicContact CZ-CG 4Å; V144-F164 HydrophobicContact CB-CZ 4.33Å; V144-F164 HydrophobicContact CG1-CZ 3.98Å; V144-F164 HydrophobicContact CG2-CZ 4.2Å; E147-F164 HydrophobicContact CB-CD2 4.39Å; E147-F164 HydrophobicContact CB-CE2 3.67Å; F164-A175 HydrophobicContact CZ-CB 4.09Å
165	G	91	Very high	88.5	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	173.4	-178	0	0	0	0	0	114.8	W52 A175 F176	W52-G165 CarbonylContact O-C 3.55Å; W52-G165 WeakPolarHBondContact O-CA 3.46Å; G165-A175 CarbonylContact O-C 3.57Å; G165-A175 VanDerWaalsContact O-CA 3.31Å; G165-A175 WeakPolarHBondContact O-CA 3.27Å; G165-F176 VanDerWaalsContact CA-CE1 3.46Å; G165-F176 VanDerWaalsContact CA-CZ 3.5Å; G165-F176 PolarHBondContact N-O 3.38Å; G165-F176 PolarHBondContact O-N 3.36Å
166	M	92	Very high	88.6	Confident	69 Å²	69	47.6 Å²	47.6	34%	0.34	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	153	176.1	-63.3	-175.3	-65.6	0	0	109.3	W52 L140 G174	W52-M166 HydrophobicContact CE3-CB 4.4Å; W52-M166 HydrophobicContact CE3-CE 3.69Å; W52-M166 HydrophobicContact CE3-CG 4.45Å; W52-M166 HydrophobicContact CZ3-CE 3.69Å; W52-M166 PolarHBondContact N-O 3.03Å; W52-M166 PolarHBondContact O-N 2.97Å; L140-M166 HydrophobicContact CD1-CG 4.46Å; L140-M166 HydrophobicContact CD1-SD 4.03Å; M166-G174 CarbonylContact C-O 3.54Å; M166-G174 VanDerWaalsContact CA-O 3.23Å; M166-G174 WeakPolarHBondContact CA-O 3.29Å
167	F	91.1	Very high	88.7	Confident	51 Å²	51	44.4 Å²	44.4	22%	0.224	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	155.8	172.8	68.1	-87.7	0	0	0	111	H49 V50 R51 F169 Y172 P173 G174 F176	H49-F167 AromaticContact NE2-CD2 3.68Å; H49-F167 AromaticContact NE2-CG 3.8Å; V50-F167 CarbonylContact O-C 3.51Å; V50-F167 WeakPolarHBondContact O-CA 3.5Å; V50-F167 WeakPolarHBondContact O-CB 3.46Å; R51-F167 HydrophobicContact CB-CB 4.34Å; F167-F169 HydrophobicContact CD2-CB 4.31Å; F167-F169 HydrophobicContact CE2-CB 4.36Å; F167-Y172 HydrophobicContact CE2-CD1 4.08Å; F167-Y172 HydrophobicContact CE2-CE1 4.08Å; F167-Y172 HydrophobicContact CZ-CE1 4.11Å; F167-P173 CarbonylContact O-C 3.42Å; F167-P173 WeakPolarHBondContact O-CA 3.41Å; F167-G174 PolarHBondContact N-O 3.28Å; F167-G174 PolarHBondContact O-N 2.92Å; F167-F176 HydrophobicContact CD1-CD1 4.03Å
168	V	88.9	Confident	88.6	Confident	60 Å²	60	45.8 Å²	45.8	36%	0.364	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	118.6	169.5	-177.7	0	0	0	0	107.6	W14 H49 V50 Y172	W14-V168 HydrophobicContact CZ2-CG1 4.25Å; H49-V168 WeakPolarHBondContact CA-O 3.46Å; V50-V168 PolarHBondContact N-O 3.23Å; V50-V168 PolarHBondContact O-N 3.49Å; V168-Y172 CarbonylContact C-O 3.51Å; V168-Y172 WeakPolarHBondContact CA-O 3.44Å
169	F	87.5	Confident	88.6	Confident	109 Å²	109	42.3 Å²	42.3	48%	0.478	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	110.5	174.5	-178.7	-102.3	0	0	0	109.5	F48 H49 F167 V171 Y172	F48-F169 CarbonylContact O-C 3.56Å; F48-F169 WeakPolarHBondContact O-CA 3.5Å; H49-F169 HydrophobicContact CB-CD2 4.06Å; F167-F169 HydrophobicContact CD2-CB 4.31Å; F167-F169 HydrophobicContact CE2-CB 4.36Å; F169-V171 VanDerWaalsContact C-N 3.29Å; F169-V171 PolarHBondContact O-N 2.94Å; F169-Y172 PolarHBondContact N-O 3.15Å; F169-Y172 WeakPolarHBondContact O-CB 3.3Å; F169-Y172 PolarHBondContact O-N 3.49Å
170	V	85.3	Confident	88.4	Confident	47 Å²	47	45.8 Å²	45.8	29%	0.285	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	-80.4	-172.2	-172.7	0	0	0	0	112.6	V10 W14 F48	V10-V170 HydrophobicContact CG1-CG1 4.21Å; W14-V170 WeakPolarHBondContact CZ2-O 3.21Å; W14-V170 PolarHBondContact NE1-O 2.66Å; F48-V170 HydrophobicContact CB-CG2 4.01Å; F48-V170 PolarHBondContact O-N 2.77Å
171	V	80.6	Confident	88.1	Confident	69 Å²	69	42.7 Å²	42.7	42%	0.418	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.6	-4.1	174.9	-67.9	0	0	0	0	112.3	V10 F136 F169 P173	V10-V171 HydrophobicContact CG1-CG1 3.82Å; V10-V171 HydrophobicContact CG2-CG1 4.22Å; F136-V171 HydrophobicContact CE2-CB 4.25Å; F136-V171 HydrophobicContact CE2-CG2 4.14Å; F136-V171 HydrophobicContact CZ-CB 4.26Å; F136-V171 HydrophobicContact CZ-CG2 3.73Å; F169-V171 VanDerWaalsContact C-N 3.29Å; F169-V171 PolarHBondContact O-N 2.94Å; V171-P173 VanDerWaalsContact O-CD 3.27Å; V171-P173 WeakPolarHBondContact O-CD 3.45Å
172	Y	84.6	Confident	87.8	Confident	103 Å²	103	45.8 Å²	45.8	40%	0.404	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	113	-175.6	175.3	-93.9	0	0	0	110.4	L139 F167 V168 F169	L139-Y172 HydrophobicContact CD1-CD2 4.28Å; L139-Y172 HydrophobicContact CD1-CE2 3.89Å; F167-Y172 HydrophobicContact CE2-CD1 4.08Å; F167-Y172 HydrophobicContact CE2-CE1 4.08Å; F167-Y172 HydrophobicContact CZ-CE1 4.11Å; V168-Y172 CarbonylContact C-O 3.51Å; V168-Y172 WeakPolarHBondContact CA-O 3.44Å; F169-Y172 PolarHBondContact N-O 3.15Å; F169-Y172 WeakPolarHBondContact O-CB 3.3Å; F169-Y172 PolarHBondContact O-N 3.49Å
173	P	89.1	Confident	87.6	Confident	17 Å²	17	47 Å²	47	11%	0.11	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	137.5	172	35.8	-34.4	0	0	0	110.6	F136 L140 F167 V171	F136-P173 HydrophobicContact CB-CG 3.9Å; F136-P173 WeakPolarHBondContact O-CG 3.44Å; L140-P173 HydrophobicContact CB-CB 4.09Å; L140-P173 HydrophobicContact CB-CG 3.98Å; L140-P173 HydrophobicContact CD1-CB 4.17Å; L140-P173 HydrophobicContact CD2-CB 4.23Å; L140-P173 HydrophobicContact CG-CB 4.38Å; F167-P173 CarbonylContact O-C 3.42Å; F167-P173 WeakPolarHBondContact O-CA 3.41Å; V171-P173 VanDerWaalsContact O-CD 3.27Å; V171-P173 WeakPolarHBondContact O-CD 3.45Å
174	G	89.1	Confident	87.5	Confident	4 Å²	4	48 Å²	48	4%	0.041	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	167	176.7	0	0	0	0	0	112.2	M166 F167	M166-G174 CarbonylContact C-O 3.54Å; M166-G174 VanDerWaalsContact CA-O 3.23Å; M166-G174 WeakPolarHBondContact CA-O 3.29Å; F167-G174 PolarHBondContact N-O 3.28Å; F167-G174 PolarHBondContact O-N 2.92Å
175	A	91.8	Very high	87.1	Confident	10 Å²	10	53.4 Å²	53.4	8%	0.083	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	160.7	172.7	0	0	0	0	0	109.9	V144 E147 F164 G165	V144-A175 HydrophobicContact CG2-CB 3.98Å; E147-A175 HydrophobicContact CB-CB 4.39Å; E147-A175 HydrophobicContact CG-CB 3.93Å; F164-A175 HydrophobicContact CZ-CB 4.09Å; G165-A175 CarbonylContact O-C 3.57Å; G165-A175 VanDerWaalsContact O-CA 3.31Å; G165-A175 WeakPolarHBondContact O-CA 3.27Å
176	F	92.4	Very high	86.9	Confident	25 Å²	25	60.4 Å²	60.4	11%	0.11	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	151.3	171.1	68.5	-84	0	0	0	110.8	R51 Q53 E147 G165 F167 D178	R51-F176 HydrophobicContact CG-CE1 3.57Å; R51-F176 HydrophobicContact CG-CZ 3.86Å; Q53-F176 HydrophobicContact CB-CZ 4.11Å; Q53-F176 HydrophobicContact CG-CE2 4.44Å; Q53-F176 HydrophobicContact CG-CZ 4.33Å; E147-F176 WeakPolarHBondContact OE2-CA 3.23Å; G165-F176 VanDerWaalsContact CA-CE1 3.46Å; G165-F176 VanDerWaalsContact CA-CZ 3.5Å; G165-F176 PolarHBondContact N-O 3.38Å; G165-F176 PolarHBondContact O-N 3.36Å; F167-F176 HydrophobicContact CD1-CD1 4.03Å; F176-D178 HydrophobicContact CE2-CB 4.39Å
177	V	90.8	Very high	86.7	Confident	20 Å²	20	58.6 Å²	58.6	12%	0.121	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	134.1	161.7	70.3	0	0	0	0	110.9	E147 H150 A151 V161 L179	E147-V177 WeakPolarHBondContact OE2-CG1 3.37Å; E147-V177 PolarHBondContact OE2-N 3.26Å; H150-V177 HydrophobicContact CB-CG1 3.61Å; A151-V177 HydrophobicContact CB-CB 4.41Å; A151-V177 HydrophobicContact CB-CG2 3.75Å; V161-V177 HydrophobicContact CG1-CG2 3.63Å; V161-V177 HydrophobicContact CG2-CG2 4.46Å; V177-L179 HydrophobicContact CG1-CD2 4.13Å; V177-L179 HydrophobicContact CG1-CG 4.18Å; V177-L179 HydrophobicContact CG2-CD2 3.93Å
178	D	87.4	Confident	86.6	Confident	51 Å²	51	58.6 Å²	58.6	27%	0.273	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	114.7	175.4	-178.3	13.9	0	0	0	109.9	Q53 N162 G163 F176	Q53-D178 PolarHBondContact NE2-OD2 2.79Å; N162-D178 HydrophobicContact CB-CB 4.13Å; N162-D178 WeakPolarHBondContact CB-OD2 3.39Å; N162-D178 PolarHBondContact N-O 2.92Å; G163-D178 PolarHBondContact O-N 3.17Å; F176-D178 HydrophobicContact CE2-CB 4.39Å
179	L	88.4	Confident	86.6	Confident	25 Å²	25	60.2 Å²	60.2	13%	0.131	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	144.8	-177.9	-57.9	-177.8	0	0	0	110.9	A154 V159 V161 V177 T181 I195	A154-L179 HydrophobicContact CB-CD1 4.08Å; A154-L179 HydrophobicContact CB-CD2 3.63Å; V159-L179 HydrophobicContact CG1-CB 4.5Å; V161-L179 HydrophobicContact CB-CD2 4.46Å; V161-L179 HydrophobicContact CG2-CD2 3.72Å; V177-L179 HydrophobicContact CG1-CD2 4.13Å; V177-L179 HydrophobicContact CG1-CG 4.18Å; V177-L179 HydrophobicContact CG2-CD2 3.93Å; L179-T181 PolarHBondContact O-N 2.89Å; L179-T181 VanDerWaalsContact O-N 3.08Å; L179-I195 HydrophobicContact CD1-CG2 4.01Å
180	F	85.9	Confident	86.5	Confident	74 Å²	74	57.3 Å²	57.3	33%	0.325	32%	0.321	S	S	.	.			trans	-74	104.1	178.3	-162.3	-113.1	0	0	0	111.1	R160 T182 H183 L184	R160-F180 HydrophobicContact CB-CB 4.02Å; R160-F180 WeakPolarHBondContact O-CB 3.48Å; R160-F180 PolarHBondContact O-N 3.23Å; F180-T182 VanDerWaalsContact C-N 3.35Å; F180-T182 WeakPolarHBondContact CD1-OG1 2.91Å; F180-T182 WeakPolarHBondContact CE1-OG1 3.47Å; F180-T182 PolarHBondContact O-N 3.25Å; F180-H183 HydrophobicContact CD1-CB 4.21Å; F180-H183 AromaticContact CD1-CD2 3.37Å; F180-H183 WeakPolarHBondContact CD1-CD2 3.39Å; F180-H183 AromaticContact CD1-CG 3.73Å; F180-H183 AromaticContact CD1-NE2 3.78Å; F180-H183 AromaticContact CE1-CD2 3.63Å; F180-H183 AromaticContact CE1-NE2 3.79Å; F180-H183 PolarHBondContact O-N 2.8Å; F180-H183 VanDerWaalsContact O-N 3.14Å; F180-L184 PolarHBondContact O-N 2.77Å; F180-L184 VanDerWaalsContact O-N 3.16Å
181	T	81.7	Confident	86.6	Confident	94 Å²	94	57.7 Å²	57.7	58%	0.577	32%	0.32	S	S	*	.	H	α-helix	trans	-58.9	-36.6	-168.5	51.5	0	0	0	0	114.5	L179 L184 N185	L179-T181 PolarHBondContact O-N 2.89Å; L179-T181 VanDerWaalsContact O-N 3.08Å; T181-L184 PolarHBondContact O-N 3.3Å; T181-N185 PolarHBondContact O-N 2.9Å; T181-N185 PolarHBondContact O-ND2 3.25Å
182	T	81.3	Confident	87	Confident	73 Å²	73	56.5 Å²	56.5	45%	0.448	31%	0.31	S	S	.	.	H	α-helix	trans	-67.5	-36.9	178.2	48.4	0	0	0	0	112.3	F180 L186	F180-T182 VanDerWaalsContact C-N 3.35Å; F180-T182 WeakPolarHBondContact CD1-OG1 2.91Å; F180-T182 WeakPolarHBondContact CE1-OG1 3.47Å; F180-T182 PolarHBondContact O-N 3.25Å; T182-L186 WeakPolarHBondContact O-CD1 3.39Å; T182-L186 WeakPolarHBondContact O-CG 3.32Å; T182-L186 PolarHBondContact O-N 3.45Å
183	H	82.8	Confident	87.3	Confident	75 Å²	75	54.9 Å²	54.9	35%	0.347	31%	0.308	S	S	.	.	H	α-helix	trans	-69.9	-38.1	173.8	-75.1	-155.9	0	0	0	111.5	V159 F180 N185 L186	V159-H183 HydrophobicContact CG1-CB 4.24Å; F180-H183 HydrophobicContact CD1-CB 4.21Å; F180-H183 AromaticContact CD1-CD2 3.37Å; F180-H183 WeakPolarHBondContact CD1-CD2 3.39Å; F180-H183 AromaticContact CD1-CG 3.73Å; F180-H183 AromaticContact CD1-NE2 3.78Å; F180-H183 AromaticContact CE1-CD2 3.63Å; F180-H183 AromaticContact CE1-NE2 3.79Å; F180-H183 PolarHBondContact O-N 2.8Å; F180-H183 VanDerWaalsContact O-N 3.14Å; H183-N185 VanDerWaalsContact C-N 3.29Å; H183-N185 PolarHBondContact O-N 3.35Å; H183-L186 PolarHBondContact O-N 3.11Å
184	L	84.3	Confident	87.4	Confident	22 Å²	22	55.8 Å²	55.8	12%	0.115	31%	0.309	C	S	.	.	H	α-helix	trans	-62.4	-37.4	178.3	-169.9	68.8	0	0	0	111.8	V159 F180 T181 L186 I187 Q192 I195 F196	V159-L184 HydrophobicContact CG1-CB 4.26Å; V159-L184 HydrophobicContact CG1-CD1 4.3Å; V159-L184 HydrophobicContact CG2-CD1 4.27Å; F180-L184 PolarHBondContact O-N 2.77Å; F180-L184 VanDerWaalsContact O-N 3.16Å; T181-L184 PolarHBondContact O-N 3.3Å; L184-L186 VanDerWaalsContact C-N 3.32Å; L184-L186 PolarHBondContact O-N 2.79Å; L184-I187 HydrophobicContact CD1-CD1 4.22Å; L184-I187 WeakPolarHBondContact O-CG1 3.37Å; L184-Q192 PolarHBondContact O-NE2 2.94Å; L184-I195 HydrophobicContact CD1-CD1 3.72Å; L184-F196 HydrophobicContact CD2-CE1 4.21Å; L184-F196 HydrophobicContact CD2-CZ 4.17Å
185	N	84.1	Confident	87.6	Confident	124 Å²	124	55.6 Å²	55.6	66%	0.663	31%	0.307	S	S	*	.	H	α-helix	trans	-77	-14.8	178.9	-68.7	-17.6	0	0	0	114.2	T181 H183	T181-N185 PolarHBondContact O-N 2.9Å; T181-N185 PolarHBondContact O-ND2 3.25Å; H183-N185 VanDerWaalsContact C-N 3.29Å; H183-N185 PolarHBondContact O-N 3.35Å
186	L	85.4	Confident	87.5	Confident	147 Å²	147	60.3 Å²	60.3	77%	0.77	33%	0.326	S	S	*	.	H	α-helix	trans	-89.4	-17.9	-179.5	-72.8	168.3	0	0	0	113.7	T182 H183 L184	T182-L186 WeakPolarHBondContact O-CD1 3.39Å; T182-L186 WeakPolarHBondContact O-CG 3.32Å; T182-L186 PolarHBondContact O-N 3.45Å; H183-L186 PolarHBondContact O-N 3.11Å; L184-L186 VanDerWaalsContact C-N 3.32Å; L184-L186 PolarHBondContact O-N 2.79Å
187	I	88.1	Confident	87.5	Confident	30 Å²	30	59.9 Å²	59.9	15%	0.154	33%	0.326	C	S	.	.	S	Bend	trans	-85.5	159	179.4	56.3	157.9	0	0	0	111.9	E157 V159 L184 Q191 Q192 I195	E157-I187 HydrophobicContact CB-CD1 4.49Å; V159-I187 HydrophobicContact CG2-CD1 3.71Å; V159-I187 HydrophobicContact CG2-CG1 4.26Å; V159-I187 HydrophobicContact CG2-CG2 4.24Å; L184-I187 HydrophobicContact CD1-CD1 4.22Å; L184-I187 WeakPolarHBondContact O-CG1 3.37Å; I187-Q191 HydrophobicContact CB-CB 4.22Å; I187-Q191 HydrophobicContact CD1-CB 3.84Å; I187-Q191 HydrophobicContact CG1-CB 4.47Å; I187-Q192 HydrophobicContact CD1-CG 3.75Å; I187-Q192 HydrophobicContact CG1-CG 3.71Å; I187-Q192 PolarHBondContact O-NE2 3.25Å; I187-I195 HydrophobicContact CD1-CD1 3.63Å
188	S	90	Very high	87.7	Confident	52 Å²	52	59 Å²	59	36%	0.364	32%	0.32	S	S	.	.			trans	-66	154.9	-177.1	67.6	0	0	0	0	112.7	A190 Q191 Q192	S188-A190 PolarHBondContact O-N 3.11Å; S188-Q191 WeakPolarHBondContact O-CB 3.18Å; S188-Q191 PolarHBondContact O-N 3.32Å; S188-Q191 VanDerWaalsContact OG-CD 3.32Å; S188-Q191 VanDerWaalsContact OG-CG 3.23Å; S188-Q191 WeakPolarHBondContact OG-CG 3.41Å; S188-Q191 PolarHBondContact OG-OE1 2.86Å; S188-Q192 PolarHBondContact O-N 3.49Å
189	P	87.8	Confident	87.8	Confident	93 Å²	93	56.6 Å²	56.6	60%	0.604	31%	0.307	S	S	*	.	H	α-helix	trans	-55.4	-37	179.2	-27.8	35.3	0	0	0	113.7	Q191 Q192 L193	P189-Q191 VanDerWaalsContact C-N 3.32Å; P189-Q191 PolarHBondContact O-N 3.14Å; P189-Q192 PolarHBondContact O-N 2.95Å; P189-L193 WeakPolarHBondContact O-CD1 3.5Å; P189-L193 PolarHBondContact O-N 2.91Å
190	A	85.1	Confident	87.9	Confident	49 Å²	49	58.6 Å²	58.6	41%	0.405	32%	0.321	S	S	.	.	H	α-helix	trans	-64.7	-36.4	176.7	0	0	0	0	0	112.4	S188 R194	S188-A190 PolarHBondContact O-N 3.11Å; A190-R194 WeakPolarHBondContact O-CG 3.34Å; A190-R194 PolarHBondContact O-N 2.79Å; A190-R194 VanDerWaalsContact O-N 3.13Å
191	Q	88.9	Confident	88.3	Confident	54 Å²	54	56.7 Å²	56.7	25%	0.252	31%	0.311	S	S	.	.	H	α-helix	trans	-72.1	-39.2	176.1	-64.7	171.9	-67.1	0	0	111.1	E157 I187 S188 P189 R194 I195	E157-Q191 HydrophobicContact CB-CB 4.44Å; E157-Q191 HydrophobicContact CG-CB 4.16Å; E157-Q191 VanDerWaalsContact OE2-CG 3.23Å; E157-Q191 WeakPolarHBondContact OE2-CG 3.37Å; E157-Q191 PolarHBondContact OE2-NE2 2.94Å; I187-Q191 HydrophobicContact CB-CB 4.22Å; I187-Q191 HydrophobicContact CD1-CB 3.84Å; I187-Q191 HydrophobicContact CG1-CB 4.47Å; S188-Q191 WeakPolarHBondContact O-CB 3.18Å; S188-Q191 PolarHBondContact O-N 3.32Å; S188-Q191 VanDerWaalsContact OG-CD 3.32Å; S188-Q191 VanDerWaalsContact OG-CG 3.23Å; S188-Q191 WeakPolarHBondContact OG-CG 3.41Å; S188-Q191 PolarHBondContact OG-OE1 2.86Å; P189-Q191 VanDerWaalsContact C-N 3.32Å; P189-Q191 PolarHBondContact O-N 3.14Å; Q191-R194 PolarHBondContact O-N 2.76Å; Q191-I195 WeakPolarHBondContact O-CG1 3.46Å; Q191-I195 PolarHBondContact O-N 3.39Å
192	Q	89.3	Confident	88.9	Confident	45 Å²	45	53.7 Å²	53.7	21%	0.21	29%	0.291	C	S	.	.	H	α-helix	trans	-60.5	-46.1	173.1	-65.9	178.7	1.6	0	0	111.3	L184 I187 S188 P189 R194 I195 F196	L184-Q192 PolarHBondContact O-NE2 2.94Å; I187-Q192 HydrophobicContact CD1-CG 3.75Å; I187-Q192 HydrophobicContact CG1-CG 3.71Å; I187-Q192 PolarHBondContact O-NE2 3.25Å; S188-Q192 PolarHBondContact O-N 3.49Å; P189-Q192 PolarHBondContact O-N 2.95Å; Q192-R194 VanDerWaalsContact C-N 3.33Å; Q192-R194 PolarHBondContact O-N 2.79Å; Q192-I195 WeakPolarHBondContact O-CB 3.33Å; Q192-I195 PolarHBondContact O-N 3.2Å; Q192-I195 VanDerWaalsContact O-N 3.1Å; Q192-F196 HydrophobicContact CB-CD2 4.34Å; Q192-F196 HydrophobicContact CB-CE2 3.87Å; Q192-F196 VanDerWaalsContact O-CD2 3.23Å; Q192-F196 WeakPolarHBondContact O-CD2 3.49Å; Q192-F196 WeakPolarHBondContact O-CG 3.23Å; Q192-F196 PolarHBondContact O-N 3.17Å
193	L	89.6	Confident	89.4	Confident	69 Å²	69	52.5 Å²	52.5	36%	0.361	28%	0.282	S	S	.	.	H	α-helix	trans	-61.4	-37.6	176.6	-95.9	98.2	0	0	0	112.6	L80 V84 P189 I195 F196 C197	L80-L193 HydrophobicContact CD1-CB 3.66Å; L80-L193 HydrophobicContact CG-CB 4.46Å; V84-L193 HydrophobicContact CG2-CD2 4Å; P189-L193 WeakPolarHBondContact O-CD1 3.5Å; P189-L193 PolarHBondContact O-N 2.91Å; L193-I195 VanDerWaalsContact C-N 3.25Å; L193-I195 PolarHBondContact O-N 3.41Å; L193-F196 PolarHBondContact O-N 2.92Å; L193-C197 WeakPolarHBondContact O-CB 3.47Å; L193-C197 PolarHBondContact O-N 2.79Å; L193-C197 PolarHBondContact O-SG 2.77Å
194	R	92.1	Very high	89.8	Confident	36 Å²	36	53 Å²	53	14%	0.136	28%	0.283	C	S	.	.	H	α-helix	trans	-61.3	-37.7	175.2	-73.8	-171	-160.1	111.1	6.8	111.7	Y73 S77 L80 E157 A190 Q191 Q192 A198	Y73-R194 PolarHBondContact OH-NH2 3Å; S77-R194 PolarHBondContact OG-NE 3.04Å; L80-R194 HydrophobicContact CB-CG 4.11Å; L80-R194 HydrophobicContact CD1-CG 3.64Å; E157-R194 WeakPolarHBondContact OE1-CD 3.46Å; E157-R194 IonicContact OE1-CZ 3.82Å; E157-R194 IonicContact OE1-NH1 2.84Å; E157-R194 PolarHBondContact OE1-NH1 2.94Å; A190-R194 WeakPolarHBondContact O-CG 3.34Å; A190-R194 PolarHBondContact O-N 2.79Å; A190-R194 VanDerWaalsContact O-N 3.13Å; Q191-R194 PolarHBondContact O-N 2.76Å; Q192-R194 VanDerWaalsContact C-N 3.33Å; Q192-R194 PolarHBondContact O-N 2.79Å; R194-A198 WeakPolarHBondContact O-CB 3.21Å; R194-A198 PolarHBondContact O-N 3.13Å
195	I	91.7	Very high	90.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-66.9	-50.4	174.7	-59.2	168	0	0	0	109.6	H150 A153 A154 E157 V159 L179 L184 I187 Q191 Q192 L193 C197 A198	H150-I195 PolarHBondContact CE1-O 3.16Å; H150-I195 PolarHBondContact ND1-O 3.22Å; A153-I195 HydrophobicContact CB-CG1 4.3Å; A154-I195 HydrophobicContact CB-CD1 4.24Å; A154-I195 HydrophobicContact CB-CG1 4.46Å; A154-I195 HydrophobicContact CB-CG2 4.15Å; E157-I195 HydrophobicContact CB-CD1 4.12Å; E157-I195 HydrophobicContact CB-CG1 4.44Å; E157-I195 HydrophobicContact CG-CD1 4.45Å; E157-I195 HydrophobicContact CG-CG1 4.28Å; V159-I195 HydrophobicContact CB-CD1 4.41Å; V159-I195 HydrophobicContact CG2-CD1 3.89Å; L179-I195 HydrophobicContact CD1-CG2 4.01Å; L184-I195 HydrophobicContact CD1-CD1 3.72Å; I187-I195 HydrophobicContact CD1-CD1 3.63Å; Q191-I195 WeakPolarHBondContact O-CG1 3.46Å; Q191-I195 PolarHBondContact O-N 3.39Å; Q192-I195 WeakPolarHBondContact O-CB 3.33Å; Q192-I195 PolarHBondContact O-N 3.2Å; Q192-I195 VanDerWaalsContact O-N 3.1Å; L193-I195 VanDerWaalsContact C-N 3.25Å; L193-I195 PolarHBondContact O-N 3.41Å; I195-C197 PolarHBondContact O-N 3.33Å; I195-A198 WeakPolarHBondContact O-CB 3.49Å; I195-A198 PolarHBondContact O-N 3.17Å
196	F	90.9	Very high	90.6	Very high	109 Å²	109	50.7 Å²	50.7	48%	0.478	27%	0.271	S	S	.	.	H	α-helix	trans	-67.2	-30	-177.6	-60.1	-40.1	0	0	0	114.3	H150 L184 Q192 L193	H150-F196 PolarHBondContact CE1-O 2.95Å; H150-F196 VanDerWaalsContact CE1-O 3.29Å; L184-F196 HydrophobicContact CD2-CE1 4.21Å; L184-F196 HydrophobicContact CD2-CZ 4.17Å; Q192-F196 HydrophobicContact CB-CD2 4.34Å; Q192-F196 HydrophobicContact CB-CE2 3.87Å; Q192-F196 VanDerWaalsContact O-CD2 3.23Å; Q192-F196 WeakPolarHBondContact O-CD2 3.49Å; Q192-F196 WeakPolarHBondContact O-CG 3.23Å; Q192-F196 PolarHBondContact O-N 3.17Å; L193-F196 PolarHBondContact O-N 2.92Å
197	C	92.9	Very high	90.7	Very high	16 Å²	16	47 Å²	47	11%	0.108	26%	0.257	C	S	.	.	H	α-helix	trans	-83.9	-14.1	176.9	-64.3	0	0	0	0	113.2	L193 I195 G199 V200 W201	L193-C197 WeakPolarHBondContact O-CB 3.47Å; L193-C197 PolarHBondContact O-N 2.79Å; L193-C197 PolarHBondContact O-SG 2.77Å; I195-C197 PolarHBondContact O-N 3.33Å; C197-G199 PolarHBondContact O-N 3.43Å; C197-V200 PolarHBondContact O-N 3.05Å; C197-W201 WeakPolarHBondContact O-CB 3.32Å; C197-W201 PolarHBondContact O-N 3.05Å
198	A	93.2	Very high	90.8	Very high	1 Å²	1	49 Å²	49	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-60.3	-42.3	-174.5	0	0	0	0	0	113.4	F76 G149 A153 R194 I195 W201 H202	F76-A198 HydrophobicContact CD1-CB 3.74Å; F76-A198 HydrophobicContact CE1-CB 3.73Å; G149-A198 WeakPolarHBondContact O-CB 3.49Å; A153-A198 HydrophobicContact CB-CB 3.66Å; R194-A198 WeakPolarHBondContact O-CB 3.21Å; R194-A198 PolarHBondContact O-N 3.13Å; I195-A198 WeakPolarHBondContact O-CB 3.49Å; I195-A198 PolarHBondContact O-N 3.17Å; A198-W201 PolarHBondContact O-N 2.77Å; A198-H202 PolarHBondContact O-N 2.96Å
199	G	90.6	Very high	90.8	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.7	-47.1	179.2	0	0	0	0	0	112.8	H146 H150 C197 W201 H202 N203	H146-G199 PolarHBondContact ND1-O 2.94Å; H146-G199 VanDerWaalsContact ND1-O 3.09Å; H146-G199 WeakPolarHBondContact O-CA 3.38Å; H150-G199 PolarHBondContact CE1-N 2.84Å; C197-G199 PolarHBondContact O-N 3.43Å; G199-W201 VanDerWaalsContact C-N 3.3Å; G199-W201 PolarHBondContact O-N 3.41Å; G199-H202 PolarHBondContact O-N 3.38Å; G199-N203 PolarHBondContact O-N 3.2Å
200	V	90.6	Very high	90.8	Very high	67 Å²	67	48.2 Å²	48.2	41%	0.406	27%	0.267	S	S	.	.	H	α-helix	trans	-61.3	-40.8	177.5	-179.6	0	0	0	0	111.1	F82 H146 C197 N203 F204	F82-V200 HydrophobicContact CE1-CG1 4.2Å; H146-V200 PolarHBondContact CE1-N 2.88Å; C197-V200 PolarHBondContact O-N 3.05Å; V200-N203 PolarHBondContact O-N 3.21Å; V200-F204 PolarHBondContact O-N 3.39Å
201	W	94.5	Very high	90.8	Very high	35 Å²	35	50.1 Å²	50.1	13%	0.133	27%	0.271	C	S	.	.	H	α-helix	trans	-61.2	-44.1	176.1	175.1	-120.8	0	0	0	112.6	W75 F82 C197 A198 G199 F204 V205	W75-W201 AromaticContact CD1-CD1 3.97Å; W75-W201 AromaticContact CD1-NE1 3.75Å; W75-W201 AromaticContact CD2-NE1 3.51Å; W75-W201 AromaticContact CE2-CD1 3.72Å; W75-W201 AromaticContact CE2-NE1 3.1Å; W75-W201 AromaticContact CG-NE1 3.93Å; W75-W201 HydrophobicContact CH2-CZ2 4.39Å; W75-W201 AromaticContact CZ2-NE1 3.4Å; W75-W201 HydrophobicContact CZ3-CZ2 4.38Å; W75-W201 AromaticContact NE1-CD1 3.37Å; W75-W201 AromaticContact NE1-NE1 3.22Å; W75-W201 PolarHBondContact O-NE1 3.24Å; F82-W201 HydrophobicContact CB-CE3 3.8Å; F82-W201 HydrophobicContact CB-CZ3 3.93Å; F82-W201 AromaticContact CD1-CE3 3.85Å; F82-W201 HydrophobicContact CD1-CE3 3.85Å; F82-W201 HydrophobicContact CD1-CZ3 4.43Å; F82-W201 HydrophobicContact CD2-CZ3 4.39Å; F82-W201 AromaticContact CG-CE3 3.82Å; F82-W201 HydrophobicContact CG-CE3 3.82Å; F82-W201 AromaticContact CG-CZ3 4Å; F82-W201 HydrophobicContact CG-CZ3 4Å; C197-W201 WeakPolarHBondContact O-CB 3.32Å; C197-W201 PolarHBondContact O-N 3.05Å; A198-W201 PolarHBondContact O-N 2.77Å; G199-W201 VanDerWaalsContact C-N 3.3Å; G199-W201 PolarHBondContact O-N 3.41Å; W201-F204 HydrophobicContact CE3-CD1 4.04Å; W201-F204 HydrophobicContact CH2-CD1 4.49Å; W201-F204 AromaticContact CZ3-CD1 3.7Å; W201-F204 HydrophobicContact CZ3-CD1 3.7Å; W201-F204 HydrophobicContact CZ3-CE1 4.06Å; W201-F204 PolarHBondContact O-N 2.93Å; W201-V205 HydrophobicContact CD2-CG2 4.21Å; W201-V205 HydrophobicContact CH2-CG2 4.32Å; W201-V205 HydrophobicContact CZ2-CG2 3.97Å; W201-V205 WeakPolarHBondContact O-CG2 3.19Å; W201-V205 PolarHBondContact O-N 3.5Å
202	H	93.9	Very high	90.7	Very high	30 Å²	30	49.8 Å²	49.8	14%	0.139	28%	0.277	C	S	.	.	H	α-helix	trans	-65.3	-37.8	176.6	-78.7	-173	0	0	0	112.9	W75 I145 G149 A198 G199 V205 L206	W75-H202 AromaticContact CE2-NE2 3.86Å; W75-H202 AromaticContact CZ2-CD2 3.98Å; W75-H202 AromaticContact NE1-CD2 3.43Å; W75-H202 PolarHBondContact NE1-CD2 3.3Å; W75-H202 AromaticContact NE1-NE2 3.05Å; W75-H202 PolarHBondContact NE1-NE2 3.49Å; I145-H202 HydrophobicContact CG2-CB 4.07Å; G149-H202 WeakPolarHBondContact CA-CE1 3.45Å; G149-H202 WeakPolarHBondContact CA-ND1 3.21Å; G149-H202 PolarHBondContact N-ND1 3.16Å; A198-H202 PolarHBondContact O-N 2.96Å; G199-H202 PolarHBondContact O-N 3.38Å; H202-V205 PolarHBondContact O-N 3.29Å; H202-L206 WeakPolarHBondContact O-CB 3.29Å; H202-L206 PolarHBondContact O-N 2.99Å
203	N	91.4	Very high	90.5	Very high	49 Å²	49	52.2 Å²	52.2	26%	0.262	29%	0.291	S	S	.	.	H	α-helix	trans	-64.8	-39.6	174.4	-74.5	9.3	0	0	0	112.4	S142 H146 G199 V200 L206 C207	S142-N203 PolarHBondContact O-OD1 3.13Å; H146-N203 WeakPolarHBondContact CB-OD1 3.48Å; H146-N203 PolarHBondContact ND1-ND2 3.08Å; G199-N203 PolarHBondContact O-N 3.2Å; V200-N203 PolarHBondContact O-N 3.21Å; N203-L206 PolarHBondContact O-N 3.33Å; N203-C207 PolarHBondContact O-N 3.02Å
204	F	92.1	Very high	90.1	Very high	86 Å²	86	54.5 Å²	54.5	38%	0.377	30%	0.303	S	S	.	.	H	α-helix	trans	-61.8	-46.9	174.6	174.2	-103.1	0	0	0	111.5	F82 V200 W201 L206 C207 V208	F82-F204 HydrophobicContact CE1-CB 3.71Å; F82-F204 HydrophobicContact CE1-CD1 4.45Å; F82-F204 HydrophobicContact CE1-CD2 4.28Å; F82-F204 AromaticContact CE1-CG 3.89Å; F82-F204 HydrophobicContact CE1-CG 3.89Å; F82-F204 HydrophobicContact CE2-CD1 4.12Å; F82-F204 AromaticContact CE2-CD2 3.79Å; F82-F204 HydrophobicContact CE2-CD2 3.79Å; F82-F204 HydrophobicContact CE2-CE1 4.22Å; F82-F204 AromaticContact CE2-CE2 3.91Å; F82-F204 HydrophobicContact CE2-CE2 3.91Å; F82-F204 AromaticContact CE2-CG 3.9Å; F82-F204 HydrophobicContact CE2-CG 3.9Å; F82-F204 HydrophobicContact CE2-CZ 4.12Å; F82-F204 HydrophobicContact CZ-CB 3.76Å; F82-F204 HydrophobicContact CZ-CD1 4.09Å; F82-F204 AromaticContact CZ-CD2 3.43Å; F82-F204 HydrophobicContact CZ-CD2 3.43Å; F82-F204 VanDerWaalsContact CZ-CD2 3.43Å; F82-F204 HydrophobicContact CZ-CE2 4.03Å; F82-F204 AromaticContact CZ-CG 3.47Å; F82-F204 HydrophobicContact CZ-CG 3.47Å; F82-F204 VanDerWaalsContact CZ-CG 3.47Å; V200-F204 PolarHBondContact O-N 3.39Å; W201-F204 HydrophobicContact CE3-CD1 4.04Å; W201-F204 HydrophobicContact CH2-CD1 4.49Å; W201-F204 AromaticContact CZ3-CD1 3.7Å; W201-F204 HydrophobicContact CZ3-CD1 3.7Å; W201-F204 HydrophobicContact CZ3-CE1 4.06Å; W201-F204 PolarHBondContact O-N 2.93Å; F204-L206 VanDerWaalsContact C-N 3.33Å; F204-L206 PolarHBondContact O-N 3.12Å; F204-C207 WeakPolarHBondContact O-CB 3.41Å; F204-C207 PolarHBondContact O-N 2.91Å; F204-V208 HydrophobicContact CD1-CG2 4.49Å; F204-V208 HydrophobicContact CE1-CG2 4.02Å; F204-V208 HydrophobicContact CE2-CG2 4.24Å; F204-V208 HydrophobicContact CZ-CG2 3.89Å; F204-V208 WeakPolarHBondContact O-CG2 3.31Å; F204-V208 PolarHBondContact O-N 2.78Å
205	V	92.7	Very high	89.5	Confident	38 Å²	38	60.4 Å²	60.4	23%	0.23	33%	0.33	C	S	.	.	H	α-helix	trans	-61.3	-42.7	176.7	171.7	0	0	0	0	111.2	W75 W201 H202 C207 V208 V209	W75-V205 HydrophobicContact CH2-CB 4.42Å; W75-V205 HydrophobicContact CH2-CG1 3.97Å; W75-V205 HydrophobicContact CH2-CG2 3.72Å; W75-V205 HydrophobicContact CZ2-CB 4.48Å; W75-V205 HydrophobicContact CZ2-CG1 4.31Å; W75-V205 HydrophobicContact CZ2-CG2 3.86Å; W201-V205 HydrophobicContact CD2-CG2 4.21Å; W201-V205 HydrophobicContact CH2-CG2 4.32Å; W201-V205 HydrophobicContact CZ2-CG2 3.97Å; W201-V205 WeakPolarHBondContact O-CG2 3.19Å; W201-V205 PolarHBondContact O-N 3.5Å; H202-V205 PolarHBondContact O-N 3.29Å; V205-C207 VanDerWaalsContact C-N 3.28Å; V205-C207 PolarHBondContact O-N 2.77Å; V205-V208 PolarHBondContact O-N 2.65Å; V205-V209 HydrophobicContact CG1-CG2 4.42Å; V205-V209 WeakPolarHBondContact O-CG2 3.34Å; V205-V209 PolarHBondContact O-N 3.38Å
206	L	91	Very high	89.1	Confident	58 Å²	58	64.9 Å²	64.9	30%	0.304	35%	0.353	S	S	.	.	H	α-helix	trans	-58.5	-41.7	176	-176.4	64.6	0	0	0	111.6	I145 H202 N203 F204 V209 A210	I145-L206 HydrophobicContact CD1-CD1 3.8Å; I145-L206 HydrophobicContact CD1-CD2 3.79Å; I145-L206 HydrophobicContact CD1-CG 4.4Å; H202-L206 WeakPolarHBondContact O-CB 3.29Å; H202-L206 PolarHBondContact O-N 2.99Å; N203-L206 PolarHBondContact O-N 3.33Å; F204-L206 VanDerWaalsContact C-N 3.33Å; F204-L206 PolarHBondContact O-N 3.12Å; L206-V209 PolarHBondContact O-N 3.43Å; L206-A210 WeakPolarHBondContact O-CB 3.41Å; L206-A210 PolarHBondContact O-N 3.11Å
207	C	88.6	Confident	88.4	Confident	70 Å²	70	63.9 Å²	63.9	47%	0.473	35%	0.352	S	S	.	.	H	α-helix	trans	-62.4	-46.3	175.3	-174.8	0	0	0	0	111.9	N203 F204 V205 V209 A210 L211	N203-C207 PolarHBondContact O-N 3.02Å; F204-C207 WeakPolarHBondContact O-CB 3.41Å; F204-C207 PolarHBondContact O-N 2.91Å; V205-C207 VanDerWaalsContact C-N 3.28Å; V205-C207 PolarHBondContact O-N 2.77Å; C207-V209 VanDerWaalsContact C-N 3.33Å; C207-V209 PolarHBondContact O-N 3.44Å; C207-A210 PolarHBondContact O-N 3.14Å; C207-L211 WeakPolarHBondContact O-CG 3.33Å; C207-L211 PolarHBondContact O-N 3.06Å
208	V	90.9	Very high	87.1	Confident	71 Å²	71	67.5 Å²	67.5	43%	0.43	38%	0.376	S	S	.	.	H	α-helix	trans	-60.6	-42.7	177.1	173.6	0	0	0	0	111.3	F204 V205 L211 A212	F204-V208 HydrophobicContact CD1-CG2 4.49Å; F204-V208 HydrophobicContact CE1-CG2 4.02Å; F204-V208 HydrophobicContact CE2-CG2 4.24Å; F204-V208 HydrophobicContact CZ-CG2 3.89Å; F204-V208 WeakPolarHBondContact O-CG2 3.31Å; F204-V208 PolarHBondContact O-N 2.78Å; V205-V208 PolarHBondContact O-N 2.65Å; V208-L211 PolarHBondContact O-N 3.42Å; V208-A212 WeakPolarHBondContact O-CB 3.15Å; V208-A212 PolarHBondContact O-N 3.28Å
209	V	90.1	Very high	86.2	Confident	74 Å²	74	72.3 Å²	72.3	45%	0.448	41%	0.405	S	S	.	.	H	α-helix	trans	-64.7	-43.4	176.4	171.9	0	0	0	0	111.2	V205 L206 C207 A212 L213	V205-V209 HydrophobicContact CG1-CG2 4.42Å; V205-V209 WeakPolarHBondContact O-CG2 3.34Å; V205-V209 PolarHBondContact O-N 3.38Å; L206-V209 PolarHBondContact O-N 3.43Å; C207-V209 VanDerWaalsContact C-N 3.33Å; C207-V209 PolarHBondContact O-N 3.44Å; V209-A212 PolarHBondContact O-N 3.48Å; V209-L213 HydrophobicContact CG1-CD1 4.04Å; V209-L213 HydrophobicContact CG1-CG 4.47Å; V209-L213 WeakPolarHBondContact O-CB 3.15Å; V209-L213 WeakPolarHBondContact O-CG 3.44Å; V209-L213 PolarHBondContact O-N 3.44Å
210	A	85.9	Confident	85.4	Confident	55 Å²	55	77.2 Å²	77.2	46%	0.455	43%	0.43	S	S	.	.	H	α-helix	trans	-62.7	-42.9	177.6	0	0	0	0	0	111.9	L206 C207 L213 L214	L206-A210 WeakPolarHBondContact O-CB 3.41Å; L206-A210 PolarHBondContact O-N 3.11Å; C207-A210 PolarHBondContact O-N 3.14Å; A210-L213 PolarHBondContact O-N 3.5Å; A210-L214 WeakPolarHBondContact O-CB 3.24Å; A210-L214 PolarHBondContact O-N 3.04Å
211	L	86.2	Confident	84.5	Confident	90 Å²	90	77 Å²	77	47%	0.471	43%	0.427	S	S	.	.	H	α-helix	trans	-62.4	-46.2	174.5	-72.9	171.1	0	0	0	111.2	C207 V208 L213 L214 F215	C207-L211 WeakPolarHBondContact O-CG 3.33Å; C207-L211 PolarHBondContact O-N 3.06Å; V208-L211 PolarHBondContact O-N 3.42Å; L211-L213 VanDerWaalsContact C-N 3.34Å; L211-L213 PolarHBondContact O-N 2.95Å; L211-L214 PolarHBondContact O-N 3.31Å; L211-F215 WeakPolarHBondContact O-CD2 3.44Å; L211-F215 PolarHBondContact O-N 3.16Å
212	A	87.1	Confident	82.6	Confident	47 Å²	47	81.8 Å²	81.8	39%	0.388	45%	0.449	S	S	.	.	H	α-helix	trans	-59.9	-43.4	177.2	0	0	0	0	0	111.9	V208 V209 L214 F215 L216	V208-A212 WeakPolarHBondContact O-CB 3.15Å; V208-A212 PolarHBondContact O-N 3.28Å; V209-A212 PolarHBondContact O-N 3.48Å; A212-L214 VanDerWaalsContact C-N 3.34Å; A212-L214 PolarHBondContact O-N 2.57Å; A212-F215 PolarHBondContact O-N 3.12Å; A212-L216 VanDerWaalsContact O-CB 3.3Å; A212-L216 WeakPolarHBondContact O-CB 3.18Å; A212-L216 VanDerWaalsContact O-CG 3.23Å; A212-L216 WeakPolarHBondContact O-CG 3.02Å; A212-L216 PolarHBondContact O-N 3.34Å
213	L	85.2	Confident	80.9	Confident	95 Å²	95	85.6 Å²	85.6	50%	0.497	48%	0.476	S	S	.	.	H	α-helix	trans	-61.9	-40.5	175	-76.6	170.1	0	0	0	112.1	V209 A210 L211 L216 L217 L220	V209-L213 HydrophobicContact CG1-CD1 4.04Å; V209-L213 HydrophobicContact CG1-CG 4.47Å; V209-L213 WeakPolarHBondContact O-CB 3.15Å; V209-L213 WeakPolarHBondContact O-CG 3.44Å; V209-L213 PolarHBondContact O-N 3.44Å; A210-L213 PolarHBondContact O-N 3.5Å; L211-L213 VanDerWaalsContact C-N 3.34Å; L211-L213 PolarHBondContact O-N 2.95Å; L213-L216 CarbonylContact O-C 3.57Å; L213-L216 PolarHBondContact O-N 3Å; L213-L217 WeakPolarHBondContact O-CB 3.28Å; L213-L217 PolarHBondContact O-N 3.41Å; L213-L220 HydrophobicContact CD2-CD1 4.26Å
214	L	80.6	Confident	79.3	Confident	118 Å²	118	88.6 Å²	88.6	62%	0.618	50%	0.496	S	S	*	.	H	α-helix	trans	-66.5	-42	178.8	-167.1	146.6	0	0	0	111.7	A210 L211 A212 L217	A210-L214 WeakPolarHBondContact O-CB 3.24Å; A210-L214 PolarHBondContact O-N 3.04Å; L211-L214 PolarHBondContact O-N 3.31Å; A212-L214 VanDerWaalsContact C-N 3.34Å; A212-L214 PolarHBondContact O-N 2.57Å; L214-L217 WeakPolarHBondContact O-CB 3.16Å; L214-L217 PolarHBondContact O-N 3.4Å
215	F	79.1	Confident	77.3	Confident	159 Å²	159	91.8 Å²	91.8	70%	0.697	51%	0.507	S	S	*	.	H	α-helix	trans	-68.4	-32.9	174.6	-80.2	-68.9	0	0	0	113.2	L211 A212 P218	L211-F215 WeakPolarHBondContact O-CD2 3.44Å; L211-F215 PolarHBondContact O-N 3.16Å; A212-F215 PolarHBondContact O-N 3.12Å; F215-P218 WeakPolarHBondContact O-CD 3.48Å
216	L	83.2	Confident	75.3	Confident	95 Å²	95	94.9 Å²	94.9	50%	0.497	54%	0.536	S	S	.	.	H	α-helix	trans	-85.6	-8.9	177.9	-68.3	171.1	0	0	0	113.1	A212 L213 P218 V219 L220	A212-L216 VanDerWaalsContact O-CB 3.3Å; A212-L216 WeakPolarHBondContact O-CB 3.18Å; A212-L216 VanDerWaalsContact O-CG 3.23Å; A212-L216 WeakPolarHBondContact O-CG 3.02Å; A212-L216 PolarHBondContact O-N 3.34Å; L213-L216 CarbonylContact O-C 3.57Å; L213-L216 PolarHBondContact O-N 3Å; L216-P218 VanDerWaalsContact C-CD 3.47Å; L216-V219 WeakPolarHBondContact O-CB 3.45Å; L216-V219 PolarHBondContact O-N 2.87Å; L216-L220 HydrophobicContact CB-CD1 4.14Å; L216-L220 HydrophobicContact CB-CG 4.41Å; L216-L220 WeakPolarHBondContact O-CG 3.48Å; L216-L220 PolarHBondContact O-N 3.5Å
217	L	76.9	Confident	73.2	Confident	87 Å²	87	97.4 Å²	97.4	46%	0.455	55%	0.554	S	S	.	*	H	α-helix	trans	-55.4	-43.1	-176.5	-166.9	70.1	0	0	0	113.2	L213 L214 V219 L220 L221	L213-L217 WeakPolarHBondContact O-CB 3.28Å; L213-L217 PolarHBondContact O-N 3.41Å; L214-L217 WeakPolarHBondContact O-CB 3.16Å; L214-L217 PolarHBondContact O-N 3.4Å; L217-V219 VanDerWaalsContact C-N 3.27Å; L217-V219 PolarHBondContact O-N 2.84Å; L217-L220 PolarHBondContact O-N 2.75Å; L217-L221 HydrophobicContact CD1-CD1 4.04Å; L217-L221 HydrophobicContact CD1-CG 4.14Å; L217-L221 HydrophobicContact CD2-CD1 4.28Å; L217-L221 HydrophobicContact CG-CD1 3.74Å; L217-L221 HydrophobicContact CG-CG 4.18Å; L217-L221 WeakPolarHBondContact O-CB 3.43Å; L217-L221 VanDerWaalsContact O-CG 3.27Å; L217-L221 WeakPolarHBondContact O-CG 3.34Å; L217-L221 PolarHBondContact O-N 2.84Å
218	P	65.9	Low	71.7	Confident	93 Å²	93	97.7 Å²	97.7	60%	0.604	57%	0.569	S	S	*	*	H	α-helix	trans	-60.8	-36.2	176	-22.7	34.9	0	0	0	112.8	F215 L216 F222	F215-P218 WeakPolarHBondContact O-CD 3.48Å; L216-P218 VanDerWaalsContact C-CD 3.47Å; P218-F222 WeakPolarHBondContact O-CB 3.48Å; P218-F222 PolarHBondContact O-N 3.05Å
219	V	74.8	Confident	70.4	Confident	102 Å²	102	98.7 Å²	98.7	62%	0.618	58%	0.575	S	S	*	*	H	α-helix	trans	-75.3	-39.6	178.6	-179	0	0	0	0	111.1	L216 L217 L221 F222	L216-V219 WeakPolarHBondContact O-CB 3.45Å; L216-V219 PolarHBondContact O-N 2.87Å; L217-V219 VanDerWaalsContact C-N 3.27Å; L217-V219 PolarHBondContact O-N 2.84Å; V219-L221 VanDerWaalsContact C-N 3.33Å; V219-F222 WeakPolarHBondContact O-CB 3.47Å; V219-F222 PolarHBondContact O-N 2.7Å
220	L	73.1	Confident	69.4	Low	102 Å²	102	95.4 Å²	95.4	53%	0.534	56%	0.556	S	S	.	*	H	α-helix	trans	-68	-32.9	177.3	-72.5	169.1	0	0	0	112.4	L213 L216 L217 P223	L213-L220 HydrophobicContact CD2-CD1 4.26Å; L216-L220 HydrophobicContact CB-CD1 4.14Å; L216-L220 HydrophobicContact CB-CG 4.41Å; L216-L220 WeakPolarHBondContact O-CG 3.48Å; L216-L220 PolarHBondContact O-N 3.5Å; L217-L220 PolarHBondContact O-N 2.75Å; L220-P223 WeakPolarHBondContact O-CD 3.29Å
221	L	71	Confident	69.1	Low	63 Å²	63	92.9 Å²	92.9	33%	0.33	54%	0.535	S	S	.	.	H	α-helix	trans	-88	-14.7	177.9	-64.3	177.9	0	0	0	113.2	L217 V219 P223 V224 Y225	L217-L221 HydrophobicContact CD1-CD1 4.04Å; L217-L221 HydrophobicContact CD1-CG 4.14Å; L217-L221 HydrophobicContact CD2-CD1 4.28Å; L217-L221 HydrophobicContact CG-CD1 3.74Å; L217-L221 HydrophobicContact CG-CG 4.18Å; L217-L221 WeakPolarHBondContact O-CB 3.43Å; L217-L221 VanDerWaalsContact O-CG 3.27Å; L217-L221 WeakPolarHBondContact O-CG 3.34Å; L217-L221 PolarHBondContact O-N 2.84Å; V219-L221 VanDerWaalsContact C-N 3.33Å; L221-P223 VanDerWaalsContact C-N 3.33Å; L221-V224 WeakPolarHBondContact O-CA 3.3Å; L221-V224 WeakPolarHBondContact O-CB 3.43Å; L221-V224 PolarHBondContact O-N 2.47Å; L221-Y225 HydrophobicContact CB-CD2 4.17Å; L221-Y225 HydrophobicContact CB-CE2 3.85Å; L221-Y225 HydrophobicContact CD1-CE2 4.44Å; L221-Y225 VanDerWaalsContact O-CD2 3.28Å; L221-Y225 WeakPolarHBondContact O-CD2 3.28Å; L221-Y225 PolarHBondContact O-N 3.17Å
222	F	55.3	Low	68.8	Low	135 Å²	135	93.4 Å²	93.4	59%	0.592	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-50.7	-40.9	178.3	-176.1	-101.3	0	0	0	114.5	P218 V219 V224 Y225	P218-F222 WeakPolarHBondContact O-CB 3.48Å; P218-F222 PolarHBondContact O-N 3.05Å; V219-F222 WeakPolarHBondContact O-CB 3.47Å; V219-F222 PolarHBondContact O-N 2.7Å; F222-V224 PolarHBondContact O-N 3.44Å; F222-Y225 PolarHBondContact O-N 3.14Å
223	P	58.7	Low	68.5	Low	110 Å²	110	91.2 Å²	91.2	71%	0.714	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-67.9	-15.1	176.5	-16.1	30.4	0	0	0	114.2	L220 L221	L220-P223 WeakPolarHBondContact O-CD 3.29Å; L221-P223 VanDerWaalsContact C-N 3.33Å
224	V	57.2	Low	68	Low	112 Å²	112	89.1 Å²	89.1	68%	0.679	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-94.1	-13.3	-178	-163.4	0	0	0	0	111.2	L221 F222	L221-V224 WeakPolarHBondContact O-CA 3.3Å; L221-V224 WeakPolarHBondContact O-CB 3.43Å; L221-V224 PolarHBondContact O-N 2.47Å; F222-V224 PolarHBondContact O-N 3.44Å
225	Y	49.8	Very low	67.9	Low	154 Å²	154	89 Å²	89	60%	0.604	51%	0.506	S	S	*	.	S	Bend	trans	-107.7	108.4	175.3	-68.4	-74.7	0	0	0	110.7	L221 F222 T227	L221-Y225 HydrophobicContact CB-CD2 4.17Å; L221-Y225 HydrophobicContact CB-CE2 3.85Å; L221-Y225 HydrophobicContact CD1-CE2 4.44Å; L221-Y225 VanDerWaalsContact O-CD2 3.28Å; L221-Y225 WeakPolarHBondContact O-CD2 3.28Å; L221-Y225 PolarHBondContact O-N 3.17Å; F222-Y225 PolarHBondContact O-N 3.14Å; Y225-T227 PolarHBondContact O-N 3.3Å
226	A	50.2	Low	68.2	Low	102 Å²	102	82.7 Å²	82.7	84%	0.843	48%	0.48	S	S	*	.			trans	-72.4	113	172	0	0	0	0	0	109.7
227	T	48.3	Very low	68.1	Low	112 Å²	112	81.5 Å²	81.5	69%	0.687	48%	0.476	S	S	*	.			trans	-111.9	134.7	170.9	51.3	0	0	0	0	109.5	Y225	Y225-T227 PolarHBondContact O-N 3.3Å
228	G	55.9	Low	68.2	Low	76 Å²	76	85.9 Å²	85.9	78%	0.784	50%	0.495	S	S	*	.	S	Bend	trans	120.9	2	147.9	0	0	0	0	0	120.9
229	V	63.7	Low	68.7	Low	91 Å²	91	84.8 Å²	84.8	55%	0.552	50%	0.501	S	S	*	.	S	Bend	trans	-152.2	97.4	174.2	-159.8	0	0	0	0	113.3	L253 T255	V229-L253 WeakPolarHBondContact O-CD2 3.35Å; V229-L253 WeakPolarHBondContact O-CG 3.47Å; V229-T255 WeakPolarHBondContact O-CG2 3.3Å
230	G	69.2	Low	69	Low	6 Å²	6	81.2 Å²	81.2	6%	0.062	48%	0.48	C	S	.	.	S	Bend	trans	138.6	167.4	163.9	0	0	0	0	0	116.2	L253 V254 V262	G230-L253 VanDerWaalsContact C-CD1 3.47Å; G230-L253 WeakPolarHBondContact O-CD1 3.16Å; G230-V254 CarbonylContact C-O 3.58Å; G230-V254 WeakPolarHBondContact CA-O 3.42Å; G230-V262 WeakPolarHBondContact CA-O 3.13Å
231	A	79.4	Confident	69.4	Low	1 Å²	1	79.8 Å²	79.8	1%	0.008	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	123	173.7	0	0	0	0	0	110.7	V254 V262 W268	A231-V254 PolarHBondContact N-O 2.89Å; A231-V254 PolarHBondContact O-N 3.47Å; A231-V262 HydrophobicContact CB-CG1 3.68Å; A231-W268 HydrophobicContact CB-CB 4.5Å
232	M	79.9	Confident	70	Confident	102 Å²	102	76.8 Å²	76.8	50%	0.502	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	128.4	-177.9	-175.4	-179.9	-71	0	0	110.7	T234 D252 L253 Q401 K402	M232-T234 PolarHBondContact O-N 3.47Å; M232-D252 WeakPolarHBondContact CA-O 3.49Å; M232-L253 HydrophobicContact CB-CD1 4.39Å; M232-Q401 WeakPolarHBondContact O-CA 3.34Å; M232-K402 PolarHBondContact O-N 3.27Å
233	V	80.9	Confident	71.3	Confident	1 Å²	1	73.9 Å²	73.9	1%	0.006	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	117.2	174.6	177.1	0	0	0	0	109.4	V236 L248 S249 G251 D252 V254 V399	V233-V236 HydrophobicContact CG1-CG2 3.48Å; V233-V236 VanDerWaalsContact CG1-CG2 3.48Å; V233-L248 HydrophobicContact CG2-CB 4.35Å; V233-L248 HydrophobicContact CG2-CD1 4.31Å; V233-L248 HydrophobicContact CG2-CD2 4.25Å; V233-S249 WeakPolarHBondContact CG1-O 3.2Å; V233-G251 PolarHBondContact O-N 3.18Å; V233-D252 HydrophobicContact CB-CB 4.38Å; V233-D252 HydrophobicContact CG2-CB 4.19Å; V233-D252 PolarHBondContact N-O 2.89Å; V233-V254 HydrophobicContact CG2-CG2 3.96Å; V233-V399 HydrophobicContact CB-CG1 4.37Å; V233-V399 HydrophobicContact CG1-CG1 3.76Å; V233-V399 HydrophobicContact CG2-CG1 3.95Å
234	T	74.5	Confident	72.3	Confident	50 Å²	50	70.2 Å²	70.2	31%	0.307	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-25.3	-179.9	52.5	0	0	0	0	112.9	M232 S400 K402	M232-T234 PolarHBondContact O-N 3.47Å; T234-S400 PolarHBondContact N-O 2.72Å; T234-S400 VanDerWaalsContact OG1-C 3.3Å; T234-S400 PolarHBondContact OG1-O 3.14Å; T234-K402 HydrophobicContact CG2-CB 3.83Å; T234-K402 HydrophobicContact CG2-CD 4.45Å; T234-K402 HydrophobicContact CG2-CG 3.98Å
235	E	79.5	Confident	73.2	Confident	116 Å²	116	71.7 Å²	71.7	54%	0.542	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	145.5	178.3	-161.8	-178	172.2	0	0	110	V399 S400	E235-V399 WeakPolarHBondContact O-CA 3.45Å; E235-S400 PolarHBondContact N-O 3.08Å; E235-S400 PolarHBondContact O-N 3.32Å
236	V	85	Confident	74.5	Confident	26 Å²	26	71.8 Å²	71.8	16%	0.158	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	124.1	171.2	-177.9	0	0	0	0	107.7	V233 Q238 A242 D243 L248 A398	V233-V236 HydrophobicContact CG1-CG2 3.48Å; V233-V236 VanDerWaalsContact CG1-CG2 3.48Å; V236-Q238 PolarHBondContact O-N 2.85Å; V236-A242 HydrophobicContact CG1-CB 3.97Å; V236-D243 HydrophobicContact CG1-CB 4.09Å; V236-L248 HydrophobicContact CG2-CB 4.13Å; V236-A398 WeakPolarHBondContact CA-O 3.28Å
237	V	80	Confident	76.1	Confident	70 Å²	70	67.4 Å²	67.4	42%	0.424	42%	0.416	S	S	.	.			trans	-66.5	124.5	-177.8	177.9	0	0	0	0	109.5	G239 S240 A398	V237-G239 PolarHBondContact O-N 3.36Å; V237-S240 WeakPolarHBondContact O-CB 3.37Å; V237-S240 PolarHBondContact O-N 3.31Å; V237-S240 VanDerWaalsContact O-N 3.13Å; V237-S240 PolarHBondContact O-OG 3.21Å; V237-A398 PolarHBondContact N-O 2.86Å
238	Q	79.4	Confident	78	Confident	179 Å²	179	62.3 Å²	62.3	84%	0.836	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	132.2	-178.3	-165.4	176.8	10	0	0	111.5	V236 S240 D243	V236-Q238 PolarHBondContact O-N 2.85Å; Q238-S240 VanDerWaalsContact C-N 3.26Å; Q238-S240 PolarHBondContact O-N 2.81Å; Q238-D243 WeakPolarHBondContact CA-OD2 3.31Å
239	G	76.2	Confident	79.5	Confident	71 Å²	71	61.8 Å²	61.8	73%	0.732	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	4.9	-176.6	0	0	0	0	0	115.2	V237 D243	V237-G239 PolarHBondContact O-N 3.36Å; G239-D243 PolarHBondContact N-OD2 2.85Å
240	S	82.6	Confident	80.3	Confident	26 Å²	26	62.4 Å²	62.4	18%	0.182	37%	0.373	C	S	.	.	S	Bend	trans	-75.4	166.1	173.4	73.8	0	0	0	0	112.1	V237 Q238 A242 D243	V237-S240 WeakPolarHBondContact O-CB 3.37Å; V237-S240 PolarHBondContact O-N 3.31Å; V237-S240 VanDerWaalsContact O-N 3.13Å; V237-S240 PolarHBondContact O-OG 3.21Å; Q238-S240 VanDerWaalsContact C-N 3.26Å; Q238-S240 PolarHBondContact O-N 2.81Å; S240-A242 PolarHBondContact O-N 2.78Å; S240-A242 VanDerWaalsContact O-N 3.08Å; S240-A242 PolarHBondContact OG-N 2.81Å; S240-D243 PolarHBondContact O-N 3.19Å; S240-D243 PolarHBondContact OG-N 3.04Å
241	A	80.7	Confident	80.5	Confident	72 Å²	72	64.4 Å²	64.4	60%	0.595	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-9.3	173.5	0	0	0	0	0	113.8	M386 F388	A241-M386 VanDerWaalsContact O-CE 3.31Å; A241-M386 WeakPolarHBondContact O-CE 3.48Å; A241-F388 HydrophobicContact CB-CD2 4.12Å; A241-F388 HydrophobicContact CB-CE2 3.81Å
242	A	83.8	Confident	80.7	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-15.4	172	0	0	0	0	0	113.4	V236 S240 G247 L248 M386 L395 A398 V399	V236-A242 HydrophobicContact CG1-CB 3.97Å; S240-A242 PolarHBondContact O-N 2.78Å; S240-A242 VanDerWaalsContact O-N 3.08Å; S240-A242 PolarHBondContact OG-N 2.81Å; A242-G247 CarbonylContact O-C 3.46Å; A242-G247 VanDerWaalsContact O-CA 3.31Å; A242-G247 WeakPolarHBondContact O-CA 3.26Å; A242-L248 PolarHBondContact O-N 2.84Å; A242-M386 HydrophobicContact CB-CE 3.93Å; A242-M386 HydrophobicContact CB-SD 4.48Å; A242-L395 HydrophobicContact CB-CD1 4.09Å; A242-A398 HydrophobicContact CB-CB 4.03Å; A242-V399 HydrophobicContact CB-CG2 3.62Å
243	D	82	Confident	80.8	Confident	75 Å²	75	63.3 Å²	63.3	40%	0.401	39%	0.389	S	S	.	.			trans	-91.5	121.9	177.7	-177.9	22.5	0	0	0	110.6	V236 Q238 G239 S240	V236-D243 HydrophobicContact CG1-CB 4.09Å; Q238-D243 WeakPolarHBondContact CA-OD2 3.31Å; G239-D243 PolarHBondContact N-OD2 2.85Å; S240-D243 PolarHBondContact O-N 3.19Å; S240-D243 PolarHBondContact OG-N 3.04Å
244	G	80.3	Confident	81.1	Confident	32 Å²	32	63.3 Å²	63.3	33%	0.33	39%	0.389	S	S	.	.	S	Bend	trans	165.6	170.8	178.6	0	0	0	0	0	113.8	R246 G247	G244-R246 PolarHBondContact O-N 2.68Å; G244-G247 PolarHBondContact O-N 3.06Å
245	P	75.1	Confident	81.7	Confident	144 Å²	144	62.6 Å²	62.6	94%	0.935	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-10.6	-174.2	23.9	-33.3	0	0	0	114.7
246	R	78.4	Confident	82.1	Confident	155 Å²	155	62.8 Å²	62.8	59%	0.585	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.9	25.9	173	-59.9	-172.7	-179.4	149.9	-0.5	111.7	G244	G244-R246 PolarHBondContact O-N 2.68Å
247	G	84	Confident	82.3	Confident	11 Å²	11	61.6 Å²	61.6	11%	0.113	37%	0.373	C	S	.	.	S	Bend	trans	-88.8	-162.9	172.3	0	0	0	0	0	111.3	A242 G244	A242-G247 CarbonylContact O-C 3.46Å; A242-G247 VanDerWaalsContact O-CA 3.31Å; A242-G247 WeakPolarHBondContact O-CA 3.26Å; G244-G247 PolarHBondContact O-N 3.06Å
248	L	88	Confident	82.6	Confident	4 Å²	4	58.4 Å²	58.4	2%	0.021	35%	0.354	C	S	.	.			trans	-86.1	145.3	173.8	-69	166.3	0	0	0	109.8	V233 V236 A242 D252 V254 W268 V378 H380 M386 V399	V233-L248 HydrophobicContact CG2-CB 4.35Å; V233-L248 HydrophobicContact CG2-CD1 4.31Å; V233-L248 HydrophobicContact CG2-CD2 4.25Å; V236-L248 HydrophobicContact CG2-CB 4.13Å; A242-L248 PolarHBondContact O-N 2.84Å; L248-D252 HydrophobicContact CD2-CB 4.37Å; L248-V254 HydrophobicContact CD2-CG2 4.03Å; L248-W268 HydrophobicContact CD1-CH2 4.38Å; L248-V378 HydrophobicContact CD1-CG1 4.45Å; L248-V378 HydrophobicContact CD2-CG1 4.29Å; L248-H380 HydrophobicContact CD2-CB 4.1Å; L248-M386 HydrophobicContact CD1-SD 3.91Å; L248-M386 HydrophobicContact CG-SD 3.68Å; L248-V399 HydrophobicContact CD1-CG1 4.19Å; L248-V399 HydrophobicContact CD1-CG2 3.8Å
249	S	87.2	Confident	82.7	Confident	65 Å²	65	54.1 Å²	54.1	46%	0.455	34%	0.336	S	S	.	.			trans	-120.2	155	173.6	-64.6	0	0	0	0	111	V233 G251 D252	V233-S249 WeakPolarHBondContact CG1-O 3.2Å; S249-G251 PolarHBondContact O-N 2.83Å; S249-D252 PolarHBondContact N-OD2 2.96Å; S249-D252 VanDerWaalsContact O-CB 3.28Å; S249-D252 WeakPolarHBondContact O-CB 3.38Å; S249-D252 PolarHBondContact O-N 3.16Å
250	V	80.1	Confident	83.2	Confident	104 Å²	104	52 Å²	52	63%	0.63	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	126.3	173.2	179.5	0	0	0	0	109.2
251	G	72.7	Confident	83.4	Confident	48 Å²	48	54.2 Å²	54.2	50%	0.495	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.8	-8	-174.6	0	0	0	0	0	115.1	V233 S249	V233-G251 PolarHBondContact O-N 3.18Å; S249-G251 PolarHBondContact O-N 2.83Å
252	D	83.9	Confident	83.7	Confident	23 Å²	23	50.8 Å²	50.8	12%	0.123	30%	0.296	C	S	.	.			trans	-66.6	142.1	173.8	-80.5	-20.4	0	0	0	111.5	M232 V233 L248 S249 H380	M232-D252 WeakPolarHBondContact CA-O 3.49Å; V233-D252 HydrophobicContact CB-CB 4.38Å; V233-D252 HydrophobicContact CG2-CB 4.19Å; V233-D252 PolarHBondContact N-O 2.89Å; L248-D252 HydrophobicContact CD2-CB 4.37Å; S249-D252 PolarHBondContact N-OD2 2.96Å; S249-D252 VanDerWaalsContact O-CB 3.28Å; S249-D252 WeakPolarHBondContact O-CB 3.38Å; S249-D252 PolarHBondContact O-N 3.16Å; D252-H380 HydrophobicContact CB-CB 4.34Å; D252-H380 IonicContact OD1-ND1 3.42Å; D252-H380 IonicContact OD2-CE1 2.69Å; D252-H380 PolarHBondContact OD2-CE1 3.38Å; D252-H380 IonicContact OD2-ND1 3.04Å; D252-H380 PolarHBondContact OD2-ND1 3.14Å
253	L	82.8	Confident	83.4	Confident	58 Å²	58	59.5 Å²	59.5	30%	0.304	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	105.7	179.3	-169.3	66.9	0	0	0	110.4	V229 G230 M232 T255 H380	V229-L253 WeakPolarHBondContact O-CD2 3.35Å; V229-L253 WeakPolarHBondContact O-CG 3.47Å; G230-L253 VanDerWaalsContact C-CD1 3.47Å; G230-L253 WeakPolarHBondContact O-CD1 3.16Å; M232-L253 HydrophobicContact CB-CD1 4.39Å; L253-T255 PolarHBondContact O-N 2.9Å; L253-H380 VanDerWaalsContact O-CA 3.27Å; L253-H380 WeakPolarHBondContact O-CA 3.3Å
254	V	87.4	Confident	83	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	121.8	178.4	-177.1	0	0	0	0	110.2	G230 A231 V233 L248 V262 W268 V378 A379	G230-V254 CarbonylContact C-O 3.58Å; G230-V254 WeakPolarHBondContact CA-O 3.42Å; A231-V254 PolarHBondContact N-O 2.89Å; A231-V254 PolarHBondContact O-N 3.47Å; V233-V254 HydrophobicContact CG2-CG2 3.96Å; L248-V254 HydrophobicContact CD2-CG2 4.03Å; V254-V262 HydrophobicContact CG1-CB 4.47Å; V254-V262 HydrophobicContact CG1-CG1 4.49Å; V254-V262 HydrophobicContact CG1-CG2 4.45Å; V254-W268 HydrophobicContact CB-CE3 4.41Å; V254-W268 HydrophobicContact CB-CZ3 4.32Å; V254-W268 HydrophobicContact CG1-CE3 3.89Å; V254-W268 HydrophobicContact CG1-CZ3 3.73Å; V254-W268 HydrophobicContact CG2-CZ3 4.06Å; V254-V378 HydrophobicContact CG1-CG1 3.78Å; V254-V378 HydrophobicContact CG2-CG1 4.2Å; V254-A379 WeakPolarHBondContact CA-O 3.35Å
255	T	87	Confident	82.6	Confident	36 Å²	36	56.9 Å²	56.9	22%	0.221	31%	0.311	C	S	.	.			trans	-109.3	-19.3	-177.4	56.2	0	0	0	0	113.5	V229 L253 V262 A379 P381	V229-T255 WeakPolarHBondContact O-CG2 3.3Å; L253-T255 PolarHBondContact O-N 2.9Å; T255-V262 PolarHBondContact O-N 3.42Å; T255-A379 PolarHBondContact N-O 2.62Å; T255-A379 PolarHBondContact OG1-O 2.81Å; T255-P381 HydrophobicContact CG2-CG 4.09Å; T255-P381 WeakPolarHBondContact OG1-CD 3.46Å
256	R	87.5	Confident	82.7	Confident	120 Å²	120	58.3 Å²	58.3	45%	0.453	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	144.8	-179.1	-157.5	-178.6	-66.6	-174.1	-1.6	112.6	E258 C260 A379	R256-E258 WeakPolarHBondContact CD-O 3.08Å; R256-E258 WeakPolarHBondContact CG-O 3.15Å; R256-C260 WeakPolarHBondContact CA-O 3.42Å; R256-C260 WeakPolarHBondContact CG-O 3.45Å; R256-A379 HydrophobicContact CB-CB 3.87Å; R256-A379 PolarHBondContact O-N 2.6Å
257	L	88.9	Confident	82.8	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	106.7	165.1	-74	174.1	0	0	0	108.9	D259 C260 V262 W268 C271 L272 L275 I376 V378	L257-D259 PolarHBondContact O-N 3.29Å; L257-D259 VanDerWaalsContact O-N 3.08Å; L257-C260 PolarHBondContact N-O 3.19Å; L257-C260 WeakPolarHBondContact O-CA 3.34Å; L257-C260 VanDerWaalsContact O-CB 3.23Å; L257-C260 WeakPolarHBondContact O-CB 3.22Å; L257-C260 PolarHBondContact O-N 3.4Å; L257-V262 HydrophobicContact CB-CG2 4.39Å; L257-V262 HydrophobicContact CD1-CG2 4.22Å; L257-V262 HydrophobicContact CG-CG2 4.01Å; L257-W268 HydrophobicContact CD1-CD2 4Å; L257-W268 HydrophobicContact CD1-CE3 3.51Å; L257-W268 HydrophobicContact CD1-CZ3 3.88Å; L257-W268 HydrophobicContact CD2-CE3 4.03Å; L257-W268 HydrophobicContact CD2-CH2 4.19Å; L257-W268 HydrophobicContact CD2-CZ3 3.53Å; L257-W268 HydrophobicContact CG-CE3 3.88Å; L257-W268 HydrophobicContact CG-CZ3 3.92Å; L257-C271 HydrophobicContact CB-CB 4.1Å; L257-C271 HydrophobicContact CD1-CB 3.65Å; L257-C271 HydrophobicContact CG-CB 4.46Å; L257-L272 HydrophobicContact CD1-CD2 3.75Å; L257-L272 HydrophobicContact CD1-CG 3.7Å; L257-L272 HydrophobicContact CD2-CD2 4.43Å; L257-L275 HydrophobicContact CB-CD1 4.17Å; L257-I376 HydrophobicContact CD2-CG2 4.04Å; L257-V378 HydrophobicContact CD2-CB 4.2Å; L257-V378 HydrophobicContact CD2-CG1 3.97Å; L257-V378 HydrophobicContact CD2-CG2 3.71Å
258	E	86.8	Confident	82.9	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.019	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	-105.7	-168.5	-71.1	-64.7	168	0	0	113.3	R256 L275 Y283 I376 R377	R256-E258 WeakPolarHBondContact CD-O 3.08Å; R256-E258 WeakPolarHBondContact CG-O 3.15Å; E258-L275 HydrophobicContact CB-CD2 4.48Å; E258-L275 HydrophobicContact CG-CD2 4.41Å; E258-Y283 PolarHBondContact OE1-OH 3.28Å; E258-Y283 PolarHBondContact OE2-OH 3.43Å; E258-I376 HydrophobicContact CG-CG2 4.19Å; E258-I376 VanDerWaalsContact OE1-C 3.31Å; E258-I376 VanDerWaalsContact OE1-CA 3.27Å; E258-I376 WeakPolarHBondContact OE1-CA 3.21Å; E258-R377 VanDerWaalsContact CD-N 3.33Å; E258-R377 HydrophobicContact CG-CB 4.5Å; E258-R377 PolarHBondContact N-O 2.91Å; E258-R377 VanDerWaalsContact OE1-CB 3.26Å; E258-R377 WeakPolarHBondContact OE1-CB 3.38Å; E258-R377 PolarHBondContact OE1-N 2.92Å; E258-R377 IonicContact OE2-NE 3.26Å
259	D	80.9	Confident	82.6	Confident	88 Å²	88	55.2 Å²	55.2	47%	0.471	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-1.2	176.3	-67.2	-35.2	0	0	0	112.2	L257 P261 T349	L257-D259 PolarHBondContact O-N 3.29Å; L257-D259 VanDerWaalsContact O-N 3.08Å; D259-P261 WeakPolarHBondContact O-CD 3.44Å; D259-T349 PolarHBondContact OD1-OG1 3.06Å; D259-T349 WeakPolarHBondContact OD2-CB 3.38Å; D259-T349 PolarHBondContact OD2-OG1 2.92Å
260	C	86.3	Confident	82.5	Confident	26 Å²	26	54 Å²	54	18%	0.176	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	113.3	-179.1	-165.1	0	0	0	0	110.5	R256 L257 C271	R256-C260 WeakPolarHBondContact CA-O 3.42Å; R256-C260 WeakPolarHBondContact CG-O 3.45Å; L257-C260 PolarHBondContact N-O 3.19Å; L257-C260 WeakPolarHBondContact O-CA 3.34Å; L257-C260 VanDerWaalsContact O-CB 3.23Å; L257-C260 WeakPolarHBondContact O-CB 3.22Å; L257-C260 PolarHBondContact O-N 3.4Å; C260-C271 HydrophobicContact CB-CB 3.69Å; C260-C271 WeakPolarHBondContact CB-SG 3.25Å; C260-C271 VanDerWaalsContact SG-CA 3.54Å; C260-C271 WeakPolarHBondContact SG-CB 3.27Å; C260-C271 CovalentContact SG-SG 2.02Å; C260-C271 PolarHBondContact SG-SG 2.98Å
261	P	87.9	Confident	82.9	Confident	73 Å²	73	49.2 Å²	49.2	47%	0.474	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	136.5	178.7	29	-33.2	0	0	0	110.8	D259	D259-P261 WeakPolarHBondContact O-CD 3.44Å
262	V	86.1	Confident	83.6	Confident	1 Å²	1	47 Å²	47	1%	0.006	25%	0.248	C	C	.	.			trans	-113.1	113	178.1	178.8	0	0	0	0	108.2	G230 A231 V254 T255 L257 D267 W268	G230-V262 WeakPolarHBondContact CA-O 3.13Å; A231-V262 HydrophobicContact CB-CG1 3.68Å; V254-V262 HydrophobicContact CG1-CB 4.47Å; V254-V262 HydrophobicContact CG1-CG1 4.49Å; V254-V262 HydrophobicContact CG1-CG2 4.45Å; T255-V262 PolarHBondContact O-N 3.42Å; L257-V262 HydrophobicContact CB-CG2 4.39Å; L257-V262 HydrophobicContact CD1-CG2 4.22Å; L257-V262 HydrophobicContact CG-CG2 4.01Å; V262-D267 HydrophobicContact CG1-CB 4.4Å; V262-W268 HydrophobicContact CG1-CB 4.03Å
263	R	78.8	Confident	83.8	Confident	183 Å²	183	48.3 Å²	48.3	69%	0.691	26%	0.258	S	S	*	.	S	Bend	trans	-106.9	-16.5	175.5	-55.5	177.1	178.1	171.6	-0.4	112.7	D267	R263-D267 WeakPolarHBondContact CA-OD2 3.38Å; R263-D267 VanDerWaalsContact CB-OD2 3.24Å; R263-D267 WeakPolarHBondContact CB-OD2 3.44Å; R263-D267 PolarHBondContact N-OD2 3.25Å
264	G	73.6	Confident	84	Confident	13 Å²	13	51.3 Å²	51.3	13%	0.134	27%	0.271	C	S	.	.	S	Bend	trans	-164.2	-174.3	176.3	0	0	0	0	0	112.3	E266 D267 W268	G264-E266 VanDerWaalsContact C-N 3.33Å; G264-E266 PolarHBondContact O-N 3.08Å; G264-D267 PolarHBondContact O-N 2.95Å; G264-W268 PolarHBondContact O-N 3.49Å; G264-W268 VanDerWaalsContact O-N 3.12Å
265	V	72.2	Confident	84	Confident	38 Å²	38	52.4 Å²	52.4	23%	0.23	28%	0.277	C	S	.	.	H	α-helix	trans	-67.9	-31.5	-174.3	178.1	0	0	0	0	112.9	W268 A269 Q401 K402	V265-W268 WeakPolarHBondContact O-CB 3.44Å; V265-W268 PolarHBondContact O-N 3.36Å; V265-A269 PolarHBondContact O-N 3.25Å; V265-Q401 HydrophobicContact CG1-CB 4.41Å; V265-Q401 HydrophobicContact CG2-CB 3.69Å; V265-K402 WeakPolarHBondContact CG2-O 3.45Å
266	E	76	Confident	83.9	Confident	175 Å²	175	52.4 Å²	52.4	82%	0.818	28%	0.278	S	S	*	.	H	α-helix	trans	-65.1	-43.1	174.8	-67	-173.8	177	0	0	111.7	G264 W268 A269 G270	G264-E266 VanDerWaalsContact C-N 3.33Å; G264-E266 PolarHBondContact O-N 3.08Å; E266-W268 VanDerWaalsContact C-N 3.33Å; E266-W268 PolarHBondContact O-N 3.08Å; E266-A269 PolarHBondContact O-N 2.68Å; E266-G270 PolarHBondContact O-N 2.93Å
267	D	81.3	Confident	83.7	Confident	66 Å²	66	56.5 Å²	56.5	35%	0.353	29%	0.293	S	S	.	.	H	α-helix	trans	-63.1	-40.5	174.7	-67.2	-23.8	0	0	0	110.9	V262 R263 G264 G270 C271	V262-D267 HydrophobicContact CG1-CB 4.4Å; R263-D267 WeakPolarHBondContact CA-OD2 3.38Å; R263-D267 VanDerWaalsContact CB-OD2 3.24Å; R263-D267 WeakPolarHBondContact CB-OD2 3.44Å; R263-D267 PolarHBondContact N-OD2 3.25Å; G264-D267 PolarHBondContact O-N 2.95Å; D267-G270 PolarHBondContact O-N 3.4Å; D267-C271 WeakPolarHBondContact O-CB 3.43Å; D267-C271 PolarHBondContact O-N 3.12Å; D267-C271 PolarHBondContact O-SG 2.86Å
268	W	84.7	Confident	83.5	Confident	7 Å²	7	57.7 Å²	57.7	3%	0.027	30%	0.303	C	S	.	.	H	α-helix	trans	-58.1	-51.9	175.7	167.7	-96.2	0	0	0	112.1	A231 L248 V254 L257 V262 G264 V265 E266 G270 C271 L272 V378 L395 V399 Q401	A231-W268 HydrophobicContact CB-CB 4.5Å; L248-W268 HydrophobicContact CD1-CH2 4.38Å; V254-W268 HydrophobicContact CB-CE3 4.41Å; V254-W268 HydrophobicContact CB-CZ3 4.32Å; V254-W268 HydrophobicContact CG1-CE3 3.89Å; V254-W268 HydrophobicContact CG1-CZ3 3.73Å; V254-W268 HydrophobicContact CG2-CZ3 4.06Å; L257-W268 HydrophobicContact CD1-CD2 4Å; L257-W268 HydrophobicContact CD1-CE3 3.51Å; L257-W268 HydrophobicContact CD1-CZ3 3.88Å; L257-W268 HydrophobicContact CD2-CE3 4.03Å; L257-W268 HydrophobicContact CD2-CH2 4.19Å; L257-W268 HydrophobicContact CD2-CZ3 3.53Å; L257-W268 HydrophobicContact CG-CE3 3.88Å; L257-W268 HydrophobicContact CG-CZ3 3.92Å; V262-W268 HydrophobicContact CG1-CB 4.03Å; G264-W268 PolarHBondContact O-N 3.49Å; G264-W268 VanDerWaalsContact O-N 3.12Å; V265-W268 WeakPolarHBondContact O-CB 3.44Å; V265-W268 PolarHBondContact O-N 3.36Å; E266-W268 VanDerWaalsContact C-N 3.33Å; E266-W268 PolarHBondContact O-N 3.08Å; W268-G270 PolarHBondContact O-N 2.96Å; W268-C271 PolarHBondContact O-N 3.47Å; W268-L272 HydrophobicContact CD2-CD1 4.16Å; W268-L272 HydrophobicContact CZ2-CD1 3.78Å; W268-L272 WeakPolarHBondContact O-CG 3.37Å; W268-L272 PolarHBondContact O-N 2.96Å; W268-V378 HydrophobicContact CZ3-CG1 4.11Å; W268-L395 HydrophobicContact CH2-CD2 4.11Å; W268-L395 HydrophobicContact CH2-CG 4.01Å; W268-L395 HydrophobicContact CZ2-CD2 4.5Å; W268-L395 HydrophobicContact CZ2-CG 4.02Å; W268-V399 HydrophobicContact CZ2-CB 4.39Å; W268-Q401 VanDerWaalsContact CB-OE1 3.24Å; W268-Q401 VanDerWaalsContact CD1-OE1 3.32Å; W268-Q401 VanDerWaalsContact CZ2-NE2 3.28Å
269	A	81.9	Confident	83.3	Confident	31 Å²	31	62.1 Å²	62.1	26%	0.256	33%	0.332	S	S	.	.	H	α-helix	trans	-64.6	-40.3	178.6	0	0	0	0	0	111.8	V265 E266 S273	V265-A269 PolarHBondContact O-N 3.25Å; E266-A269 PolarHBondContact O-N 2.68Å; A269-S273 VanDerWaalsContact O-CB 3.32Å; A269-S273 WeakPolarHBondContact O-CB 3.37Å; A269-S273 PolarHBondContact O-N 3.25Å
270	G	84.9	Confident	83.6	Confident	40 Å²	40	59.8 Å²	59.8	41%	0.412	32%	0.319	S	S	.	.	H	α-helix	trans	-62	-47.6	175.9	0	0	0	0	0	112.7	E266 D267 W268 S273 Q274	E266-G270 PolarHBondContact O-N 2.93Å; D267-G270 PolarHBondContact O-N 3.4Å; W268-G270 PolarHBondContact O-N 2.96Å; G270-S273 PolarHBondContact O-N 3.31Å; G270-Q274 WeakPolarHBondContact O-CB 3.46Å; G270-Q274 PolarHBondContact O-N 3.08Å
271	C	88.9	Confident	83.7	Confident	4 Å²	4	59.6 Å²	59.6	3%	0.027	32%	0.316	C	S	.	.	H	α-helix	trans	-62.1	-44.8	178	-70.4	0	0	0	0	111.8	L257 C260 D267 W268 Q274 L275	L257-C271 HydrophobicContact CB-CB 4.1Å; L257-C271 HydrophobicContact CD1-CB 3.65Å; L257-C271 HydrophobicContact CG-CB 4.46Å; C260-C271 HydrophobicContact CB-CB 3.69Å; C260-C271 WeakPolarHBondContact CB-SG 3.25Å; C260-C271 VanDerWaalsContact SG-CA 3.54Å; C260-C271 WeakPolarHBondContact SG-CB 3.27Å; C260-C271 CovalentContact SG-SG 2.02Å; C260-C271 PolarHBondContact SG-SG 2.98Å; D267-C271 WeakPolarHBondContact O-CB 3.43Å; D267-C271 PolarHBondContact O-N 3.12Å; D267-C271 PolarHBondContact O-SG 2.86Å; W268-C271 PolarHBondContact O-N 3.47Å; C271-Q274 PolarHBondContact O-N 2.71Å; C271-L275 WeakPolarHBondContact O-CB 3.23Å; C271-L275 VanDerWaalsContact O-CG 3.26Å; C271-L275 WeakPolarHBondContact O-CG 3.23Å; C271-L275 PolarHBondContact O-N 3.36Å
272	L	88.8	Confident	83.7	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-65.3	-40.8	177.1	-70.8	177.9	0	0	0	112.3	L257 W268 Q274 L275 S276 I376 P392 L395 Q396	L257-L272 HydrophobicContact CD1-CD2 3.75Å; L257-L272 HydrophobicContact CD1-CG 3.7Å; L257-L272 HydrophobicContact CD2-CD2 4.43Å; W268-L272 HydrophobicContact CD2-CD1 4.16Å; W268-L272 HydrophobicContact CZ2-CD1 3.78Å; W268-L272 WeakPolarHBondContact O-CG 3.37Å; W268-L272 PolarHBondContact O-N 2.96Å; L272-Q274 VanDerWaalsContact C-N 3.35Å; L272-L275 PolarHBondContact O-N 3.48Å; L272-S276 PolarHBondContact O-N 3.32Å; L272-I376 HydrophobicContact CD2-CD1 4.18Å; L272-P392 HydrophobicContact CD2-CB 4.37Å; L272-L395 HydrophobicContact CD2-CB 4.47Å; L272-L395 HydrophobicContact CD2-CD2 4.03Å; L272-Q396 HydrophobicContact CD1-CB 3.86Å
273	S	86.8	Confident	83.8	Confident	49 Å²	49	56 Å²	56	34%	0.343	29%	0.293	S	S	.	.	H	α-helix	trans	-61.2	-43.4	174.2	-176.4	0	0	0	0	111.4	A269 G270 S276	A269-S273 VanDerWaalsContact O-CB 3.32Å; A269-S273 WeakPolarHBondContact O-CB 3.37Å; A269-S273 PolarHBondContact O-N 3.25Å; G270-S273 PolarHBondContact O-N 3.31Å; S273-S276 PolarHBondContact O-N 2.8Å; S273-S276 PolarHBondContact O-OG 3.44Å
274	Q	86.7	Confident	84.2	Confident	122 Å²	122	48 Å²	48	57%	0.57	27%	0.265	S	S	*	.	H	α-helix	trans	-63.1	-45.9	175.4	-172.1	-179.5	7.7	0	0	111.8	G270 C271 L272 S276 R277 A278	G270-Q274 WeakPolarHBondContact O-CB 3.46Å; G270-Q274 PolarHBondContact O-N 3.08Å; C271-Q274 PolarHBondContact O-N 2.71Å; L272-Q274 VanDerWaalsContact C-N 3.35Å; Q274-S276 PolarHBondContact O-N 3.5Å; Q274-R277 PolarHBondContact O-N 3.13Å; Q274-R277 VanDerWaalsContact O-N 3.12Å; Q274-A278 WeakPolarHBondContact O-CB 3.37Å; Q274-A278 PolarHBondContact O-N 3.37Å
275	L	87.3	Confident	84.7	Confident	23 Å²	23	47.8 Å²	47.8	12%	0.12	26%	0.261	C	S	.	.	H	α-helix	trans	-62.1	-30.8	178.4	-73.2	168.6	0	0	0	112.6	L257 E258 C271 L272 R277 R374 I376	L257-L275 HydrophobicContact CB-CD1 4.17Å; E258-L275 HydrophobicContact CB-CD2 4.48Å; E258-L275 HydrophobicContact CG-CD2 4.41Å; C271-L275 WeakPolarHBondContact O-CB 3.23Å; C271-L275 VanDerWaalsContact O-CG 3.26Å; C271-L275 WeakPolarHBondContact O-CG 3.23Å; C271-L275 PolarHBondContact O-N 3.36Å; L272-L275 PolarHBondContact O-N 3.48Å; L275-R277 VanDerWaalsContact C-N 3.3Å; L275-R277 PolarHBondContact O-N 3.06Å; L275-R374 PolarHBondContact O-NE 3.48Å; L275-I376 HydrophobicContact CD1-CD1 4.22Å; L275-I376 HydrophobicContact CD1-CG1 4.38Å; L275-I376 HydrophobicContact CD1-CG2 3.95Å
276	S	85	Confident	85.2	Confident	35 Å²	35	49.3 Å²	49.3	25%	0.245	27%	0.272	C	S	.	.	H	α-helix	trans	-67.1	-29	175.7	78.2	0	0	0	0	113.7	L272 S273 Q274	L272-S276 PolarHBondContact O-N 3.32Å; S273-S276 PolarHBondContact O-N 2.8Å; S273-S276 PolarHBondContact O-OG 3.44Å; Q274-S276 PolarHBondContact O-N 3.5Å
277	R	84.6	Confident	85.3	Confident	207 Å²	207	43.8 Å²	43.8	78%	0.781	25%	0.25	S	C	*	.	H	α-helix	trans	-100	-24.3	-178.2	-60.3	178.8	-169.6	172.4	2.7	112.9	Q274 L275	Q274-R277 PolarHBondContact O-N 3.13Å; Q274-R277 VanDerWaalsContact O-N 3.12Å; L275-R277 VanDerWaalsContact C-N 3.3Å; L275-R277 PolarHBondContact O-N 3.06Å
278	A	83.4	Confident	84.8	Confident	25 Å²	25	45.8 Å²	45.8	21%	0.207	28%	0.275	C	S	.	.	S	Bend	trans	-72.1	148.5	179.3	0	0	0	0	0	111.6	Q274 R374	Q274-A278 WeakPolarHBondContact O-CB 3.37Å; Q274-A278 PolarHBondContact O-N 3.37Å; A278-R374 PolarHBondContact O-NE 2.83Å; A278-R374 PolarHBondContact O-NH2 3.16Å
279	P	83.4	Confident	84.1	Confident	96 Å²	96	47.3 Å²	47.3	62%	0.623	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-62.8	151.9	166.8	26.8	-32.3	0	0	0	110.5	T281	P279-T281 PolarHBondContact O-N 3.39Å
280	Q	88	Confident	83.6	Confident	40 Å²	40	46.6 Å²	46.6	19%	0.187	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-59.8	127.4	-178.7	178	59.7	56.8	0	0	111.5	P367 R374 F375	Q280-P367 HydrophobicContact CG-CG 3.52Å; Q280-R374 VanDerWaalsContact OE1-CA 3.29Å; Q280-F375 PolarHBondContact NE2-O 2.82Å
281	T	86.5	Confident	82.6	Confident	21 Å²	21	50.8 Å²	50.8	13%	0.129	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-72.4	136.4	175.4	-49.5	0	0	0	0	110.2	P279 T349	P279-T281 PolarHBondContact O-N 3.39Å; T281-T349 HydrophobicContact CG2-CG2 3.83Å
282	G	87.9	Confident	81.1	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	179.4	171.8	0	0	0	0	0	112.3	T349 C350 V365	G282-T349 CarbonylContact O-C 3.45Å; G282-T349 WeakPolarHBondContact O-CA 3.06Å; G282-C350 CarbonylContact C-O 3.57Å; G282-C350 VanDerWaalsContact CA-O 3.31Å; G282-C350 WeakPolarHBondContact CA-O 3.47Å; G282-C350 PolarHBondContact N-O 3.39Å; G282-C350 PolarHBondContact O-N 3.3Å; G282-V365 CarbonylContact C-O 3.57Å; G282-V365 WeakPolarHBondContact CA-O 3.45Å
283	Y	88.8	Confident	79.4	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	146	178.1	-57.9	-93.7	0	0	0	111.5	E258 V285 M343 V344 A348 T349 C350 V365 F375	E258-Y283 PolarHBondContact OE1-OH 3.28Å; E258-Y283 PolarHBondContact OE2-OH 3.43Å; Y283-V285 PolarHBondContact O-N 3.17Å; Y283-M343 HydrophobicContact CD1-CE 3.72Å; Y283-M343 HydrophobicContact CD2-CE 3.45Å; Y283-M343 VanDerWaalsContact CD2-CE 3.45Å; Y283-M343 HydrophobicContact CD2-SD 4.23Å; Y283-M343 HydrophobicContact CE1-CE 4.44Å; Y283-M343 HydrophobicContact CE2-CE 4.2Å; Y283-M343 HydrophobicContact CG-CE 3.16Å; Y283-M343 HydrophobicContact CG-SD 4.3Å; Y283-V344 HydrophobicContact CE1-CG1 4.29Å; Y283-V344 HydrophobicContact CE1-CG2 4.45Å; Y283-A348 WeakPolarHBondContact CA-O 3.18Å; Y283-T349 HydrophobicContact CD1-CG2 4.07Å; Y283-T349 HydrophobicContact CE1-CG2 3.81Å; Y283-C350 VanDerWaalsContact CA-SG 3.55Å; Y283-C350 PolarHBondContact N-SG 3.42Å; Y283-C350 PolarHBondContact O-SG 2.98Å; Y283-V365 PolarHBondContact N-O 3.02Å; Y283-V365 VanDerWaalsContact O-CG2 3.31Å; Y283-V365 WeakPolarHBondContact O-CG2 3.48Å; Y283-V365 PolarHBondContact O-N 3.26Å; Y283-F375 AromaticContact CE2-CD1 3.71Å; Y283-F375 HydrophobicContact CE2-CD1 3.71Å; Y283-F375 AromaticContact CE2-CE1 3.84Å; Y283-F375 HydrophobicContact CE2-CE1 3.84Å; Y283-F375 AromaticContact CZ-CD1 3.88Å; Y283-F375 AromaticContact CZ-CE1 3.78Å; Y283-F375 VanDerWaalsContact OH-CD1 3.24Å; Y283-F375 WeakPolarHBondContact OH-CD1 3.3Å; Y283-F375 VanDerWaalsContact OH-CE1 3.28Å; Y283-F375 WeakPolarHBondContact OH-CE1 3.47Å
284	C	87	Confident	77.8	Confident	13 Å²	13	61 Å²	61	9%	0.088	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	115.5	178.4	-64.3	0	0	0	0	110.8	T347 A348 C350 C356	C284-T347 WeakPolarHBondContact O-CB 2.94Å; C284-T347 WeakPolarHBondContact O-CG2 3.35Å; C284-A348 PolarHBondContact N-O 3.25Å; C284-C350 VanDerWaalsContact SG-CB 3.58Å; C284-C356 WeakPolarHBondContact CA-SG 3.3Å; C284-C356 HydrophobicContact CB-CB 3.66Å; C284-C356 WeakPolarHBondContact CB-SG 3.48Å; C284-C356 WeakPolarHBondContact SG-CA 3.45Å; C284-C356 WeakPolarHBondContact SG-CB 3.36Å; C284-C356 CovalentContact SG-SG 2.04Å; C284-C356 PolarHBondContact SG-SG 2.78Å
285	V	85.3	Confident	76.1	Confident	9 Å²	9	58.3 Å²	58.3	6%	0.055	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.4	-178	178	0	0	0	0	110.1	Y283 V287 L290 M338 M343 S362 V363 V365	Y283-V285 PolarHBondContact O-N 3.17Å; V285-V287 PolarHBondContact O-N 3.07Å; V285-L290 HydrophobicContact CG1-CD2 4.03Å; V285-L290 HydrophobicContact CG1-CG 4.48Å; V285-M338 HydrophobicContact CG1-CE 4.2Å; V285-M343 HydrophobicContact CG2-CG 3.51Å; V285-M343 HydrophobicContact CG2-SD 3.97Å; V285-S362 CarbonylContact O-C 3.49Å; V285-S362 VanDerWaalsContact O-CA 3.25Å; V285-S362 WeakPolarHBondContact O-CA 3.4Å; V285-V363 PolarHBondContact N-O 3.02Å; V285-V363 PolarHBondContact O-N 3.28Å; V285-V365 HydrophobicContact CB-CG1 4.16Å; V285-V365 HydrophobicContact CB-CG2 4.12Å; V285-V365 HydrophobicContact CG2-CG1 4.45Å; V285-V365 HydrophobicContact CG2-CG2 3.5Å
286	P	82.7	Confident	74.6	Confident	70 Å²	70	62 Å²	62	46%	0.455	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	133.3	174.2	-24.3	34	0	0	0	111.9	A288 G289 A361	P286-A288 PolarHBondContact O-N 3.22Å; P286-A288 VanDerWaalsContact O-N 3.15Å; P286-G289 WeakPolarHBondContact O-CA 3.36Å; P286-G289 PolarHBondContact O-N 2.91Å; P286-A361 CarbonylContact C-O 3.37Å; P286-A361 WeakPolarHBondContact CA-O 3.21Å
287	V	77.1	Confident	73.4	Confident	59 Å²	59	62.2 Å²	62.2	36%	0.358	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-57	-32.1	179.2	176	0	0	0	0	111.7	V285 G289 L290 A361 V363	V285-V287 PolarHBondContact O-N 3.07Å; V287-G289 PolarHBondContact O-N 2.8Å; V287-L290 PolarHBondContact O-N 2.75Å; V287-L290 VanDerWaalsContact O-N 3.15Å; V287-A361 WeakPolarHBondContact CB-O 3.37Å; V287-A361 VanDerWaalsContact CG2-O 3.32Å; V287-A361 WeakPolarHBondContact CG2-O 3.18Å; V287-A361 PolarHBondContact N-O 3.44Å; V287-V363 HydrophobicContact CG2-CB 4.39Å; V287-V363 HydrophobicContact CG2-CG1 3.66Å; V287-V363 HydrophobicContact CG2-CG2 3.97Å
288	A	71.7	Confident	72.5	Confident	108 Å²	108	62.9 Å²	62.9	89%	0.893	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-63.8	-22.3	175.1	0	0	0	0	0	113.9	P286	P286-A288 PolarHBondContact O-N 3.22Å; P286-A288 VanDerWaalsContact O-N 3.15Å
289	G	68.8	Low	72	Confident	39 Å²	39	63.5 Å²	63.5	40%	0.402	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-89.1	-7.5	176.8	0	0	0	0	0	114.1	P286 V287 Q291 M338	P286-G289 WeakPolarHBondContact O-CA 3.36Å; P286-G289 PolarHBondContact O-N 2.91Å; V287-G289 PolarHBondContact O-N 2.8Å; G289-Q291 PolarHBondContact O-N 3.4Å; G289-M338 WeakPolarHBondContact O-CE 3.47Å
290	L	72.3	Confident	71.8	Confident	16 Å²	16	64.4 Å²	64.4	8%	0.084	36%	0.356	C	S	.	.			trans	-85.8	103.2	178.9	-61.7	174.8	0	0	0	109.5	V285 V287 P292 Y322 A336 M338 V363 V365	V285-L290 HydrophobicContact CG1-CD2 4.03Å; V285-L290 HydrophobicContact CG1-CG 4.48Å; V287-L290 PolarHBondContact O-N 2.75Å; V287-L290 VanDerWaalsContact O-N 3.15Å; L290-P292 WeakPolarHBondContact O-CD 3.17Å; L290-Y322 HydrophobicContact CD1-CD1 4.23Å; L290-Y322 HydrophobicContact CD1-CD2 3.91Å; L290-Y322 HydrophobicContact CD1-CE1 4.18Å; L290-Y322 HydrophobicContact CD1-CE2 3.87Å; L290-Y322 HydrophobicContact CD1-CG 4.11Å; L290-A336 HydrophobicContact CD2-CB 4.33Å; L290-M338 HydrophobicContact CD2-CE 4.37Å; L290-V363 HydrophobicContact CD1-CG2 3.4Å; L290-V365 HydrophobicContact CD1-CG1 4.4Å; L290-V365 HydrophobicContact CD2-CG1 3.81Å
291	Q	64.1	Low	71.5	Confident	128 Å²	128	69.5 Å²	69.5	60%	0.598	38%	0.377	S	S	*	.			trans	-79.7	122.6	168.1	-71.6	-164.8	-30.8	0	0	109.4	G289	G289-Q291 PolarHBondContact O-N 3.4Å
292	P	57.2	Low	71.2	Confident	53 Å²	53	74 Å²	74	34%	0.344	39%	0.392	S	S	.	.			trans	-63	145.1	177.2	4.6	-3.1	0	0	0	111.4	L290 W294	L290-P292 WeakPolarHBondContact O-CD 3.17Å; P292-W294 HydrophobicContact CB-CD2 4.47Å; P292-W294 HydrophobicContact CB-CE3 4.21Å; P292-W294 HydrophobicContact CB-CZ3 4.3Å; P292-W294 HydrophobicContact CG-CE3 4.43Å; P292-W294 HydrophobicContact CG-CZ3 4.34Å; P292-W294 PolarHBondContact O-N 3.35Å
293	S	53.8	Low	70.8	Confident	19 Å²	19	83.3 Å²	83.3	13%	0.133	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-48.6	-8.9	-173.7	50.5	0	0	0	0	118.3	A295 H296 G297 P299 F335	S293-A295 VanDerWaalsContact C-N 3.25Å; S293-A295 PolarHBondContact O-N 2.58Å; S293-H296 PolarHBondContact O-N 3.09Å; S293-G297 CarbonylContact O-C 3.6Å; S293-G297 PolarHBondContact O-N 2.05Å; S293-P299 WeakPolarHBondContact OG-CD 3.42Å; S293-P299 WeakPolarHBondContact OG-CG 3.29Å; S293-F335 WeakPolarHBondContact CB-O 3.23Å
294	W	52.3	Low	70.2	Confident	199 Å²	199	86.5 Å²	86.5	75%	0.754	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-73.2	-12.7	-177.9	-46.6	-41.7	0	0	0	114.6	P292	P292-W294 HydrophobicContact CB-CD2 4.47Å; P292-W294 HydrophobicContact CB-CE3 4.21Å; P292-W294 HydrophobicContact CB-CZ3 4.3Å; P292-W294 HydrophobicContact CG-CE3 4.43Å; P292-W294 HydrophobicContact CG-CZ3 4.34Å; P292-W294 PolarHBondContact O-N 3.35Å
295	A	51.3	Low	69.7	Low	65 Å²	65	87.8 Å²	87.8	54%	0.537	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-78.7	-22	177.7	0	0	0	0	0	114.2	S293	S293-A295 VanDerWaalsContact C-N 3.25Å; S293-A295 PolarHBondContact O-N 2.58Å
296	H	54.9	Low	69.6	Low	99 Å²	99	88.1 Å²	88.1	46%	0.458	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.4	1.4	-172.5	-66.3	-53	0	0	0	115.1	S293	S293-H296 PolarHBondContact O-N 3.09Å
297	G	59.5	Low	69.6	Low	40 Å²	40	86.9 Å²	86.9	41%	0.412	46%	0.464	S	S	.	.			trans	122.2	149.8	178.7	0	0	0	0	0	112.2	S293	S293-G297 CarbonylContact O-C 3.6Å; S293-G297 PolarHBondContact O-N 2.05Å
298	R	66.3	Low	69.9	Low	221 Å²	221	84.7 Å²	84.7	83%	0.834	45%	0.45	S	S	*	.			trans	-62.1	134.8	179.5	-73.4	-171.8	-176.9	-163.8	1.2	109.9	F300	R298-F300 PolarHBondContact O-N 3.21Å
299	P	72.9	Confident	70.4	Confident	38 Å²	38	79.7 Å²	79.7	25%	0.247	41%	0.409	C	S	.	.			trans	-55.3	129.9	174.7	-22.2	32.4	0	0	0	109.9	S293 M307 D308 C309 F335	S293-P299 WeakPolarHBondContact OG-CD 3.42Å; S293-P299 WeakPolarHBondContact OG-CG 3.29Å; P299-M307 HydrophobicContact CB-CE 3.55Å; P299-D308 CarbonylContact C-O 3.51Å; P299-D308 VanDerWaalsContact CA-O 3.24Å; P299-D308 WeakPolarHBondContact CA-O 3.3Å; P299-C309 HydrophobicContact CB-CB 4.16Å; P299-C309 HydrophobicContact CG-CB 4.12Å; P299-F335 HydrophobicContact CB-CB 4.45Å; P299-F335 HydrophobicContact CB-CD2 4.45Å; P299-F335 HydrophobicContact CG-CB 4.25Å
300	F	79.8	Confident	70.9	Confident	115 Å²	115	78.5 Å²	78.5	50%	0.504	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	151.8	176.6	69.8	-86.3	0	0	0	110	R298 R302 D308	R298-F300 PolarHBondContact O-N 3.21Å; F300-R302 HydrophobicContact CE2-CG 4.12Å; F300-D308 HydrophobicContact CD1-CB 4.5Å; F300-D308 HydrophobicContact CE1-CB 3.96Å; F300-D308 HydrophobicContact CE2-CB 4.28Å; F300-D308 HydrophobicContact CZ-CB 3.83Å; F300-D308 PolarHBondContact N-O 3.44Å; F300-D308 PolarHBondContact O-N 3.49Å
301	K	81.9	Confident	70.6	Confident	148 Å²	148	80.6 Å²	80.6	64%	0.643	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	125.4	179.2	-165.5	172.6	178	177.2	0	109.2	G305 T306 M307	K301-G305 WeakPolarHBondContact CE-O 3.29Å; K301-T306 CarbonylContact C-O 3.49Å; K301-T306 WeakPolarHBondContact CA-O 3.34Å; K301-M307 HydrophobicContact CB-SD 3.68Å; K301-M307 HydrophobicContact CG-SD 4.04Å
302	R	80	Confident	70.5	Confident	116 Å²	116	82.1 Å²	82.1	44%	0.438	42%	0.422	S	S	.	.			trans	-73.6	164.1	172.6	-71.5	-176.7	175.9	-169.6	3.2	110.7	F300 D304 G305 T306 D308	F300-R302 HydrophobicContact CE2-CG 4.12Å; R302-D304 WeakPolarHBondContact CB-OD1 3.49Å; R302-D304 PolarHBondContact O-N 3.05Å; R302-G305 PolarHBondContact O-N 2.97Å; R302-T306 PolarHBondContact N-O 2.88Å; R302-D308 HydrophobicContact CG-CB 4.12Å; R302-D308 IonicContact CZ-OD2 3.79Å; R302-D308 VanDerWaalsContact CZ-OD2 3.26Å; R302-D308 IonicContact NE-OD2 3.94Å; R302-D308 PolarHBondContact NE-OD2 2.9Å; R302-D308 IonicContact NH2-OD2 2.93Å; R302-D308 PolarHBondContact NH2-OD2 3.22Å
303	L	79.1	Confident	70.5	Confident	194 Å²	194	87.2 Å²	87.2	100%	1.016	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.9	179.2	-72.5	166	0	0	0	112.7	G305	L303-G305 PolarHBondContact O-N 3.47Å
304	D	75.3	Confident	71.1	Confident	67 Å²	67	88.3 Å²	88.3	36%	0.358	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-4.3	176	58.6	30.5	0	0	0	113.8	R302 T306 E370	R302-D304 WeakPolarHBondContact CB-OD1 3.49Å; R302-D304 PolarHBondContact O-N 3.05Å; D304-T306 WeakPolarHBondContact OD1-CA 3.48Å; D304-T306 VanDerWaalsContact OD1-CB 3.25Å; D304-T306 WeakPolarHBondContact OD1-CB 3.26Å; D304-T306 WeakPolarHBondContact OD1-CG2 3.25Å; D304-T306 PolarHBondContact OD1-N 3.05Å; D304-T306 PolarHBondContact OD1-OG1 2.89Å; D304-T306 PolarHBondContact OD2-OG1 3.21Å; D304-E370 HydrophobicContact CB-CG 3.9Å; D304-E370 WeakPolarHBondContact CB-OE1 3.14Å; D304-E370 VanDerWaalsContact OD2-OE1 3.09Å
305	G	76.6	Confident	71.8	Confident	40 Å²	40	87.7 Å²	87.7	41%	0.412	47%	0.465	S	S	.	.	S	Bend	trans	88.7	-5.2	-179.5	0	0	0	0	0	115.6	K301 R302 L303	K301-G305 WeakPolarHBondContact CE-O 3.29Å; R302-G305 PolarHBondContact O-N 2.97Å; L303-G305 PolarHBondContact O-N 3.47Å
306	T	83.4	Confident	72.9	Confident	16 Å²	16	89.2 Å²	89.2	10%	0.098	47%	0.468	C	S	.	.			trans	-76.4	156.9	175	67.8	0	0	0	0	111.4	K301 R302 D304 L369 E370	K301-T306 CarbonylContact C-O 3.49Å; K301-T306 WeakPolarHBondContact CA-O 3.34Å; R302-T306 PolarHBondContact N-O 2.88Å; D304-T306 WeakPolarHBondContact OD1-CA 3.48Å; D304-T306 VanDerWaalsContact OD1-CB 3.25Å; D304-T306 WeakPolarHBondContact OD1-CB 3.26Å; D304-T306 WeakPolarHBondContact OD1-CG2 3.25Å; D304-T306 PolarHBondContact OD1-N 3.05Å; D304-T306 PolarHBondContact OD1-OG1 2.89Å; D304-T306 PolarHBondContact OD2-OG1 3.21Å; T306-L369 VanDerWaalsContact CG2-C 3.42Å; T306-E370 HydrophobicContact CG2-CB 4.29Å; T306-E370 HydrophobicContact CG2-CG 3.8Å
307	M	84.1	Confident	74.3	Confident	44 Å²	44	87 Å²	87	22%	0.217	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130.2	175.5	-70.3	-67	-61.8	0	0	109.6	P299 K301 F335 S368	P299-M307 HydrophobicContact CB-CE 3.55Å; K301-M307 HydrophobicContact CB-SD 3.68Å; K301-M307 HydrophobicContact CG-SD 4.04Å; M307-F335 HydrophobicContact CB-CD1 3.81Å; M307-F335 HydrophobicContact CB-CD2 4.46Å; M307-F335 HydrophobicContact CB-CE1 3.39Å; M307-F335 HydrophobicContact CB-CE2 4.12Å; M307-F335 HydrophobicContact CB-CG 4.33Å; M307-F335 HydrophobicContact CB-CZ 3.58Å; M307-F335 HydrophobicContact CE-CD2 4.46Å; M307-F335 HydrophobicContact CE-CE2 4.27Å; M307-F335 HydrophobicContact CG-CE1 3.81Å; M307-F335 HydrophobicContact CG-CE2 3.88Å; M307-F335 HydrophobicContact CG-CZ 3.43Å; M307-F335 VanDerWaalsContact CG-CZ 3.43Å; M307-S368 PolarHBondContact N-OG 3.36Å; M307-S368 VanDerWaalsContact N-OG 3.12Å; M307-S368 VanDerWaalsContact O-CB 3.25Å; M307-S368 WeakPolarHBondContact O-CB 3.31Å; M307-S368 PolarHBondContact O-OG 3.05Å
308	D	82.9	Confident	75.6	Confident	13 Å²	13	86.5 Å²	86.5	7%	0.07	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133.1	172.5	-164.2	-5.8	0	0	0	109.8	P299 F300 R302 C310	P299-D308 CarbonylContact C-O 3.51Å; P299-D308 VanDerWaalsContact CA-O 3.24Å; P299-D308 WeakPolarHBondContact CA-O 3.3Å; F300-D308 HydrophobicContact CD1-CB 4.5Å; F300-D308 HydrophobicContact CE1-CB 3.96Å; F300-D308 HydrophobicContact CE2-CB 4.28Å; F300-D308 HydrophobicContact CZ-CB 3.83Å; F300-D308 PolarHBondContact N-O 3.44Å; F300-D308 PolarHBondContact O-N 3.49Å; R302-D308 HydrophobicContact CG-CB 4.12Å; R302-D308 IonicContact CZ-OD2 3.79Å; R302-D308 VanDerWaalsContact CZ-OD2 3.26Å; R302-D308 IonicContact NE-OD2 3.94Å; R302-D308 PolarHBondContact NE-OD2 2.9Å; R302-D308 IonicContact NH2-OD2 2.93Å; R302-D308 PolarHBondContact NH2-OD2 3.22Å; D308-C310 PolarHBondContact OD1-N 3.02Å
309	C	81.9	Confident	76.6	Confident	4 Å²	4	76.2 Å²	76.2	3%	0.027	41%	0.409	C	S	.	.			trans	-130.4	4.2	-178.8	61.6	0	0	0	0	112.2	P299 C319 F335 C337	P299-C309 HydrophobicContact CB-CB 4.16Å; P299-C309 HydrophobicContact CG-CB 4.12Å; C309-C319 HydrophobicContact CB-CB 4.19Å; C309-C319 WeakPolarHBondContact CB-SG 3.31Å; C309-C319 PolarHBondContact N-SG 3.19Å; C309-C319 WeakPolarHBondContact SG-CA 3.42Å; C309-C319 WeakPolarHBondContact SG-CB 3.38Å; C309-C319 CovalentContact SG-SG 2.04Å; C309-C319 PolarHBondContact SG-SG 3.2Å; C309-F335 HydrophobicContact CB-CB 4.01Å; C309-C337 WeakPolarHBondContact O-CB 3.42Å; C309-C337 PolarHBondContact SG-N 2.9Å
310	C	78.4	Confident	77.3	Confident	14 Å²	14	74.4 Å²	74.4	10%	0.095	40%	0.397	C	S	.	.	S	Bend	trans	-99.7	131.5	174.7	-68.7	0	0	0	0	109.5	D308 C337	D308-C310 PolarHBondContact OD1-N 3.02Å; C310-C337 WeakPolarHBondContact CA-SG 3.5Å; C310-C337 HydrophobicContact CB-CB 4.05Å; C310-C337 WeakPolarHBondContact CB-SG 3.44Å; C310-C337 VanDerWaalsContact SG-CA 3.53Å; C310-C337 WeakPolarHBondContact SG-CB 3.27Å; C310-C337 CovalentContact SG-SG 2.04Å; C310-C337 PolarHBondContact SG-SG 3.19Å
311	S	67.4	Low	77.7	Confident	60 Å²	60	69.2 Å²	69.2	42%	0.42	38%	0.375	S	S	.	.			trans	-61.8	148.7	172.2	59.8	0	0	0	0	110.8	N313	S311-N313 PolarHBondContact O-N 2.96Å
312	N	60.5	Low	77.9	Confident	159 Å²	159	62.9 Å²	62.9	85%	0.85	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	14.2	-169.7	-141.9	18.7	0	0	0	117
313	N	58.2	Low	78	Confident	161 Å²	161	60 Å²	60	86%	0.861	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.1	5	-168.7	-83.5	5.4	0	0	0	115.5	S311	S311-N313 PolarHBondContact O-N 2.96Å
314	S	65.6	Low	77.8	Confident	42 Å²	42	54.2 Å²	54.2	29%	0.294	31%	0.306	S	S	.	.			trans	-124.2	122.5	-178.4	-173.2	0	0	0	0	112.5	T316 D317	S314-T316 VanDerWaalsContact C-N 3.3Å; S314-T316 PolarHBondContact OG-N 3.49Å; S314-T316 PolarHBondContact OG-OG1 2.74Å; S314-D317 WeakPolarHBondContact CB-OD2 3.47Å; S314-D317 PolarHBondContact OG-OD2 3.43Å
315	L	67.8	Low	77.3	Confident	186 Å²	186	55.9 Å²	55.9	97%	0.974	32%	0.321	S	S	*	.	S	Bend	trans	-84.9	-1.6	174	-68.6	170.5	0	0	0	112.8
316	T	75.1	Confident	76.5	Confident	97 Å²	97	59 Å²	59	60%	0.595	33%	0.325	S	S	*	.	S	Bend	trans	-113.3	-7.8	-173.7	56.1	0	0	0	0	114.3	S314 V340	S314-T316 VanDerWaalsContact C-N 3.3Å; S314-T316 PolarHBondContact OG-N 3.49Å; S314-T316 PolarHBondContact OG-OG1 2.74Å; T316-V340 PolarHBondContact O-N 2.9Å
317	D	84.3	Confident	75.1	Confident	51 Å²	51	61.9 Å²	61.9	27%	0.273	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	144.2	-174.2	-51.4	-27.8	0	0	0	110	S314 M338 P339	S314-D317 WeakPolarHBondContact CB-OD2 3.47Å; S314-D317 PolarHBondContact OG-OD2 3.43Å; D317-M338 WeakPolarHBondContact CA-O 3.36Å; D317-P339 VanDerWaalsContact OD1-CA 3.26Å; D317-P339 WeakPolarHBondContact OD1-CA 3.4Å; D317-P339 WeakPolarHBondContact OD1-CB 3.33Å
318	L	86	Confident	73.6	Confident	30 Å²	30	71.4 Å²	71.4	16%	0.157	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.5	177.7	-170.1	68.7	0	0	0	109.3	F320 M338 V340 P367 L369	L318-F320 HydrophobicContact CB-CD2 4.45Å; L318-F320 HydrophobicContact CB-CE2 3.76Å; L318-F320 HydrophobicContact CB-CZ 4.25Å; L318-F320 HydrophobicContact CD2-CE2 4.33Å; L318-F320 HydrophobicContact CD2-CZ 4.06Å; L318-F320 HydrophobicContact CG-CE2 4.32Å; L318-F320 WeakPolarHBondContact O-CD2 3.16Å; L318-F320 WeakPolarHBondContact O-CE2 3.32Å; L318-M338 PolarHBondContact N-O 3.1Å; L318-M338 PolarHBondContact O-N 3.46Å; L318-V340 HydrophobicContact CB-CG2 3.33Å; L318-V340 HydrophobicContact CD2-CG2 4.45Å; L318-P367 HydrophobicContact CD2-CB 3.55Å; L318-P367 HydrophobicContact CG-CB 4.42Å; L318-L369 HydrophobicContact CD1-CD2 3.97Å; L318-L369 HydrophobicContact CD2-CD2 4.37Å
319	C	87.1	Confident	72.1	Confident	5 Å²	5	78.8 Å²	78.8	3%	0.034	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	127.2	175.2	-172.6	0	0	0	0	110	C309 S368	C309-C319 HydrophobicContact CB-CB 4.19Å; C309-C319 WeakPolarHBondContact CB-SG 3.31Å; C309-C319 PolarHBondContact N-SG 3.19Å; C309-C319 WeakPolarHBondContact SG-CA 3.42Å; C309-C319 WeakPolarHBondContact SG-CB 3.38Å; C309-C319 CovalentContact SG-SG 2.04Å; C309-C319 PolarHBondContact SG-SG 3.2Å; C319-S368 WeakPolarHBondContact O-CB 3.41Å; C319-S368 PolarHBondContact O-N 3.27Å
320	F	88.1	Confident	70.7	Confident	1 Å²	1	81.7 Å²	81.7	0%	0.004	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	144.3	175.5	-66.7	-100.2	0	0	0	110.5	L318 F335 A336 M338 V340 M343 V365 T366 P367	L318-F320 HydrophobicContact CB-CD2 4.45Å; L318-F320 HydrophobicContact CB-CE2 3.76Å; L318-F320 HydrophobicContact CB-CZ 4.25Å; L318-F320 HydrophobicContact CD2-CE2 4.33Å; L318-F320 HydrophobicContact CD2-CZ 4.06Å; L318-F320 HydrophobicContact CG-CE2 4.32Å; L318-F320 WeakPolarHBondContact O-CD2 3.16Å; L318-F320 WeakPolarHBondContact O-CE2 3.32Å; F320-F335 CarbonylContact O-C 3.58Å; F320-F335 WeakPolarHBondContact O-CA 3.17Å; F320-A336 PolarHBondContact N-O 3.45Å; F320-A336 PolarHBondContact O-N 3.31Å; F320-M338 HydrophobicContact CD2-CB 3.92Å; F320-M338 HydrophobicContact CD2-CG 4.36Å; F320-M338 HydrophobicContact CE2-CB 4.1Å; F320-V340 HydrophobicContact CE2-CG2 4.35Å; F320-V340 HydrophobicContact CZ-CG2 4.48Å; F320-M343 HydrophobicContact CD1-SD 4.45Å; F320-M343 HydrophobicContact CE1-SD 3.87Å; F320-M343 HydrophobicContact CE2-SD 4.41Å; F320-M343 HydrophobicContact CZ-SD 3.86Å; F320-V365 HydrophobicContact CB-CB 4.1Å; F320-V365 HydrophobicContact CB-CG2 4.5Å; F320-V365 HydrophobicContact CD1-CB 4.36Å; F320-V365 HydrophobicContact CD1-CG2 4.04Å; F320-V365 HydrophobicContact CG-CG2 4.43Å; F320-T366 CarbonylContact C-O 3.5Å; F320-T366 WeakPolarHBondContact CA-O 3.22Å; F320-P367 HydrophobicContact CD1-CB 3.83Å; F320-P367 HydrophobicContact CD1-CG 4.4Å; F320-P367 HydrophobicContact CE1-CB 3.63Å; F320-P367 HydrophobicContact CE1-CG 4.08Å; F320-P367 HydrophobicContact CZ-CB 4.28Å
321	S	87.4	Confident	69.9	Low	5 Å²	5	91.4 Å²	91.4	4%	0.035	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	139.8	173.5	82.9	0	0	0	0	110.8	E334 T366	S321-E334 WeakPolarHBondContact CA-O 3.45Å; S321-T366 PolarHBondContact N-O 2.74Å; S321-T366 PolarHBondContact O-N 3.49Å; S321-T366 PolarHBondContact O-OG1 3.37Å; S321-T366 PolarHBondContact OG-OG1 2.97Å
322	Y	86.8	Confident	70.1	Confident	15 Å²	15	94.7 Å²	94.7	6%	0.059	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	162.5	176.1	66.1	-82.7	0	0	0	110.7	L290 K324 E334 A336 V363 V365	L290-Y322 HydrophobicContact CD1-CD1 4.23Å; L290-Y322 HydrophobicContact CD1-CD2 3.91Å; L290-Y322 HydrophobicContact CD1-CE1 4.18Å; L290-Y322 HydrophobicContact CD1-CE2 3.87Å; L290-Y322 HydrophobicContact CD1-CG 4.11Å; Y322-K324 HydrophobicContact CE2-CB 4.17Å; Y322-E334 HydrophobicContact CD1-CB 4.48Å; Y322-E334 HydrophobicContact CE1-CB 3.86Å; Y322-E334 HydrophobicContact CE2-CB 3.9Å; Y322-E334 PolarHBondContact N-O 3.28Å; Y322-E334 PolarHBondContact O-N 2.89Å; Y322-E334 PolarHBondContact OH-OE2 2.91Å; Y322-A336 HydrophobicContact CD1-CB 4.47Å; Y322-A336 HydrophobicContact CE1-CB 3.86Å; Y322-V363 HydrophobicContact CD2-CG2 4.24Å; Y322-V365 HydrophobicContact CD1-CG1 4.5Å; Y322-V365 HydrophobicContact CG-CG1 4.4Å
323	I	82.8	Confident	71.1	Confident	57 Å²	57	94.4 Å²	94.4	29%	0.292	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	120	174.7	-59.4	176.1	0	0	0	107.2	P325 R331	I323-P325 WeakPolarHBondContact O-CD 3.24Å; I323-R331 HydrophobicContact CG2-CB 4.11Å; I323-R331 HydrophobicContact CG2-CG 4.26Å
324	K	73.4	Confident	72.3	Confident	71 Å²	71	88.4 Å²	88.4	31%	0.309	45%	0.448	S	S	.	.			trans	-78.3	126.6	175.8	-172	172.2	-174.7	171.1	0	109.6	Y322 Q326 E334	Y322-K324 HydrophobicContact CE2-CB 4.17Å; K324-Q326 HydrophobicContact CD-CG 4.35Å; K324-Q326 HydrophobicContact CG-CG 4.25Å; K324-Q326 PolarHBondContact O-N 3.14Å; K324-E334 HydrophobicContact CB-CG 4.46Å; K324-E334 VanDerWaalsContact CD-CD 3.42Å; K324-E334 WeakPolarHBondContact CD-OE1 3.3Å; K324-E334 WeakPolarHBondContact CD-OE2 3.46Å; K324-E334 IonicContact NZ-OE1 2.86Å; K324-E334 PolarHBondContact NZ-OE1 3.27Å; K324-E334 IonicContact NZ-OE2 3.5Å
325	P	65.3	Low	73.2	Confident	102 Å²	102	87.8 Å²	87.8	66%	0.662	44%	0.44	S	S	*	.			trans	-71	95.3	173	25.3	-29.2	0	0	0	109.4	I323	I323-P325 WeakPolarHBondContact O-CD 3.24Å
326	Q	59.3	Low	74	Confident	107 Å²	107	78.9 Å²	78.9	50%	0.5	39%	0.393	S	S	.	.			trans	-107.2	145.5	166.4	-76.5	-170.9	0.3	0	0	110.1	K324	K324-Q326 HydrophobicContact CD-CG 4.35Å; K324-Q326 HydrophobicContact CG-CG 4.25Å; K324-Q326 PolarHBondContact O-N 3.14Å
327	G	54.5	Low	74.4	Confident	75 Å²	75	75.2 Å²	75.2	77%	0.773	37%	0.371	S	S	*	.	S	Bend	trans	-49.4	145.3	-174.3	0	0	0	0	0	114.1	N329	G327-N329 PolarHBondContact O-N 3.4Å
328	R	52.1	Low	74.4	Confident	245 Å²	245	73.9 Å²	73.9	93%	0.925	36%	0.364	S	S	*	.	S	Bend	trans	-13.6	104.4	-176.3	-74	178.3	177.2	176.5	-1.1	115.2
329	N	52.6	Low	74.2	Confident	168 Å²	168	75 Å²	75	90%	0.898	37%	0.373	S	S	*	.	S	Bend	trans	114.3	21.6	156.9	-62.1	-8	0	0	0	119.7	G327	G327-N329 PolarHBondContact O-N 3.4Å
330	S	52.7	Low	74.1	Confident	65 Å²	65	75.4 Å²	75.4	46%	0.455	38%	0.375	S	S	.	.			trans	-143.4	120.1	159.4	175.1	0	0	0	0	110.9
331	R	61.9	Low	73.7	Confident	217 Å²	217	79 Å²	79	82%	0.819	39%	0.389	S	S	*	.			trans	-102.9	88.5	168.8	-67.9	-172.7	-165.4	-173.5	3.1	108	I323	I323-R331 HydrophobicContact CG2-CB 4.11Å; I323-R331 HydrophobicContact CG2-CG 4.26Å
332	E	70.4	Confident	73.2	Confident	129 Å²	129	87.3 Å²	87.3	60%	0.603	42%	0.424	S	S	*	.			trans	-88	129.2	173.7	-152.9	168.1	-167.2	0	0	109.4	E334	E332-E334 PolarHBondContact O-N 3.15Å
333	R	81.2	Confident	72.8	Confident	153 Å²	153	87.1 Å²	87.1	58%	0.577	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	112.3	176.9	-177	176.9	-86	-156.1	-5.6	107.8	F335	R333-F335 HydrophobicContact CG-CE2 4.27Å; R333-F335 HydrophobicContact CG-CZ 4.08Å
334	E	83.9	Confident	72.3	Confident	36 Å²	36	84.6 Å²	84.6	17%	0.168	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	160.7	175.5	-72.9	-169.6	-177.2	0	0	110.4	S321 Y322 K324 E332	S321-E334 WeakPolarHBondContact CA-O 3.45Å; Y322-E334 HydrophobicContact CD1-CB 4.48Å; Y322-E334 HydrophobicContact CE1-CB 3.86Å; Y322-E334 HydrophobicContact CE2-CB 3.9Å; Y322-E334 PolarHBondContact N-O 3.28Å; Y322-E334 PolarHBondContact O-N 2.89Å; Y322-E334 PolarHBondContact OH-OE2 2.91Å; K324-E334 HydrophobicContact CB-CG 4.46Å; K324-E334 VanDerWaalsContact CD-CD 3.42Å; K324-E334 WeakPolarHBondContact CD-OE1 3.3Å; K324-E334 WeakPolarHBondContact CD-OE2 3.46Å; K324-E334 IonicContact NZ-OE1 2.86Å; K324-E334 PolarHBondContact NZ-OE1 3.27Å; K324-E334 IonicContact NZ-OE2 3.5Å; E332-E334 PolarHBondContact O-N 3.15Å
335	F	84.8	Confident	72.2	Confident	28 Å²	28	86.4 Å²	86.4	12%	0.123	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	137	179.3	-62.3	-91.6	0	0	0	110.3	S293 P299 M307 C309 F320 R333	S293-F335 WeakPolarHBondContact CB-O 3.23Å; P299-F335 HydrophobicContact CB-CB 4.45Å; P299-F335 HydrophobicContact CB-CD2 4.45Å; P299-F335 HydrophobicContact CG-CB 4.25Å; M307-F335 HydrophobicContact CB-CD1 3.81Å; M307-F335 HydrophobicContact CB-CD2 4.46Å; M307-F335 HydrophobicContact CB-CE1 3.39Å; M307-F335 HydrophobicContact CB-CE2 4.12Å; M307-F335 HydrophobicContact CB-CG 4.33Å; M307-F335 HydrophobicContact CB-CZ 3.58Å; M307-F335 HydrophobicContact CE-CD2 4.46Å; M307-F335 HydrophobicContact CE-CE2 4.27Å; M307-F335 HydrophobicContact CG-CE1 3.81Å; M307-F335 HydrophobicContact CG-CE2 3.88Å; M307-F335 HydrophobicContact CG-CZ 3.43Å; M307-F335 VanDerWaalsContact CG-CZ 3.43Å; C309-F335 HydrophobicContact CB-CB 4.01Å; F320-F335 CarbonylContact O-C 3.58Å; F320-F335 WeakPolarHBondContact O-CA 3.17Å; R333-F335 HydrophobicContact CG-CE2 4.27Å; R333-F335 HydrophobicContact CG-CZ 4.08Å
336	A	84.6	Confident	72.3	Confident	0 Å²	0	85.5 Å²	85.5	0%	0	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.8	176.4	0	0	0	0	0	110.3	L290 F320 Y322 M338	L290-A336 HydrophobicContact CD2-CB 4.33Å; F320-A336 PolarHBondContact N-O 3.45Å; F320-A336 PolarHBondContact O-N 3.31Å; Y322-A336 HydrophobicContact CD1-CB 4.47Å; Y322-A336 HydrophobicContact CE1-CB 3.86Å; A336-M338 HydrophobicContact CB-CG 4.24Å
337	C	84.4	Confident	73	Confident	19 Å²	19	82 Å²	82	13%	0.128	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	122.4	171.6	-176.7	0	0	0	0	108.7	C309 C310	C309-C337 WeakPolarHBondContact O-CB 3.42Å; C309-C337 PolarHBondContact SG-N 2.9Å; C310-C337 WeakPolarHBondContact CA-SG 3.5Å; C310-C337 HydrophobicContact CB-CB 4.05Å; C310-C337 WeakPolarHBondContact CB-SG 3.44Å; C310-C337 VanDerWaalsContact SG-CA 3.53Å; C310-C337 WeakPolarHBondContact SG-CB 3.27Å; C310-C337 CovalentContact SG-SG 2.04Å; C310-C337 PolarHBondContact SG-SG 3.19Å
338	M	82.4	Confident	74.2	Confident	23 Å²	23	81.4 Å²	81.4	11%	0.113	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	140.4	-172.1	-65.2	-69.7	-78.7	0	0	111.8	V285 G289 L290 D317 L318 F320 A336 V340	V285-M338 HydrophobicContact CG1-CE 4.2Å; G289-M338 WeakPolarHBondContact O-CE 3.47Å; L290-M338 HydrophobicContact CD2-CE 4.37Å; D317-M338 WeakPolarHBondContact CA-O 3.36Å; L318-M338 PolarHBondContact N-O 3.1Å; L318-M338 PolarHBondContact O-N 3.46Å; F320-M338 HydrophobicContact CD2-CB 3.92Å; F320-M338 HydrophobicContact CD2-CG 4.36Å; F320-M338 HydrophobicContact CE2-CB 4.1Å; A336-M338 HydrophobicContact CB-CG 4.24Å; M338-V340 PolarHBondContact O-N 3.39Å; M338-V340 VanDerWaalsContact O-N 3.13Å
339	P	83.6	Confident	75.8	Confident	54 Å²	54	71.3 Å²	71.3	35%	0.351	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	110	171.4	26	-31.8	0	0	0	110.2	D317 R341 K342 M343	D317-P339 VanDerWaalsContact OD1-CA 3.26Å; D317-P339 WeakPolarHBondContact OD1-CA 3.4Å; D317-P339 WeakPolarHBondContact OD1-CB 3.33Å; P339-R341 PolarHBondContact O-N 3.25Å; P339-K342 HydrophobicContact CB-CB 4.38Å; P339-K342 HydrophobicContact CG-CB 4.19Å; P339-K342 HydrophobicContact CG-CD 4.46Å; P339-K342 PolarHBondContact O-N 3.2Å; P339-M343 PolarHBondContact O-N 3.39Å; P339-M343 VanDerWaalsContact O-N 3.13Å
340	V	83	Confident	77.3	Confident	13 Å²	13	63.5 Å²	63.5	8%	0.079	34%	0.336	C	S	.	.	H	α-helix	trans	-58.9	-47.3	-166.6	-178.5	0	0	0	0	111.8	T316 L318 F320 M338 K342 M343 V344 F375 L387	T316-V340 PolarHBondContact O-N 2.9Å; L318-V340 HydrophobicContact CB-CG2 3.33Å; L318-V340 HydrophobicContact CD2-CG2 4.45Å; F320-V340 HydrophobicContact CE2-CG2 4.35Å; F320-V340 HydrophobicContact CZ-CG2 4.48Å; M338-V340 PolarHBondContact O-N 3.39Å; M338-V340 VanDerWaalsContact O-N 3.13Å; V340-K342 PolarHBondContact O-N 3.12Å; V340-M343 WeakPolarHBondContact O-CB 3.4Å; V340-M343 PolarHBondContact O-N 3.46Å; V340-M343 VanDerWaalsContact O-N 3.16Å; V340-V344 HydrophobicContact CG1-CG2 4.03Å; V340-V344 VanDerWaalsContact O-CG2 3.25Å; V340-V344 WeakPolarHBondContact O-CG2 3.28Å; V340-V344 PolarHBondContact O-N 3.09Å; V340-F375 HydrophobicContact CG1-CD2 4.49Å; V340-F375 HydrophobicContact CG1-CE1 4.01Å; V340-F375 HydrophobicContact CG1-CE2 3.44Å; V340-F375 VanDerWaalsContact CG1-CE2 3.44Å; V340-F375 HydrophobicContact CG1-CZ 3.14Å; V340-L387 HydrophobicContact CG1-CD1 3.98Å
341	R	80.6	Confident	78.8	Confident	78 Å²	78	69.5 Å²	69.5	29%	0.294	35%	0.348	S	S	.	.	H	α-helix	trans	-66	-37.9	-175.7	-170.4	172.1	-70.7	-90.5	0.8	112.4	P339 M343 T345 H385 L387	P339-R341 PolarHBondContact O-N 3.25Å; R341-M343 VanDerWaalsContact C-N 3.28Å; R341-M343 PolarHBondContact O-N 3.28Å; R341-T345 WeakPolarHBondContact O-CB 3.44Å; R341-T345 PolarHBondContact O-N 2.96Å; R341-T345 PolarHBondContact O-OG1 3.11Å; R341-H385 PolarHBondContact NH1-O 3.43Å; R341-L387 HydrophobicContact CB-CD1 4.09Å; R341-L387 HydrophobicContact CG-CD1 4.39Å
342	K	76.8	Confident	79.8	Confident	178 Å²	178	61.6 Å²	61.6	77%	0.774	33%	0.326	S	S	*	.	H	α-helix	trans	-68.5	-32.2	176.9	-170.5	177.2	-179.8	-177.9	0	111.2	P339 V340	P339-K342 HydrophobicContact CB-CB 4.38Å; P339-K342 HydrophobicContact CG-CB 4.19Å; P339-K342 HydrophobicContact CG-CD 4.46Å; P339-K342 PolarHBondContact O-N 3.2Å; V340-K342 PolarHBondContact O-N 3.12Å
343	M	77.9	Confident	80.3	Confident	11 Å²	11	58.4 Å²	58.4	5%	0.054	31%	0.313	C	S	.	.	H	α-helix	trans	-71.9	-48.7	176.8	-168.5	-127.3	78.1	0	0	111.7	Y283 V285 F320 P339 V340 R341 T345 T347 V365	Y283-M343 HydrophobicContact CD1-CE 3.72Å; Y283-M343 HydrophobicContact CD2-CE 3.45Å; Y283-M343 VanDerWaalsContact CD2-CE 3.45Å; Y283-M343 HydrophobicContact CD2-SD 4.23Å; Y283-M343 HydrophobicContact CE1-CE 4.44Å; Y283-M343 HydrophobicContact CE2-CE 4.2Å; Y283-M343 HydrophobicContact CG-CE 3.16Å; Y283-M343 HydrophobicContact CG-SD 4.3Å; V285-M343 HydrophobicContact CG2-CG 3.51Å; V285-M343 HydrophobicContact CG2-SD 3.97Å; F320-M343 HydrophobicContact CD1-SD 4.45Å; F320-M343 HydrophobicContact CE1-SD 3.87Å; F320-M343 HydrophobicContact CE2-SD 4.41Å; F320-M343 HydrophobicContact CZ-SD 3.86Å; P339-M343 PolarHBondContact O-N 3.39Å; P339-M343 VanDerWaalsContact O-N 3.13Å; V340-M343 WeakPolarHBondContact O-CB 3.4Å; V340-M343 PolarHBondContact O-N 3.46Å; V340-M343 VanDerWaalsContact O-N 3.16Å; R341-M343 VanDerWaalsContact C-N 3.28Å; R341-M343 PolarHBondContact O-N 3.28Å; M343-T345 VanDerWaalsContact C-N 3.3Å; M343-T345 PolarHBondContact O-N 2.72Å; M343-T347 WeakPolarHBondContact O-CG2 3.33Å; M343-T347 PolarHBondContact O-OG1 2.71Å; M343-V365 HydrophobicContact SD-CG2 4.02Å
344	V	73.8	Confident	80.3	Confident	5 Å²	5	58 Å²	58	3%	0.03	32%	0.322	C	S	.	.	H	α-helix	trans	-76.6	-19.4	-168.8	176.9	0	0	0	0	113	Y283 V340 G346 F375 R377 L387	Y283-V344 HydrophobicContact CE1-CG1 4.29Å; Y283-V344 HydrophobicContact CE1-CG2 4.45Å; V340-V344 HydrophobicContact CG1-CG2 4.03Å; V340-V344 VanDerWaalsContact O-CG2 3.25Å; V340-V344 WeakPolarHBondContact O-CG2 3.28Å; V340-V344 PolarHBondContact O-N 3.09Å; V344-G346 PolarHBondContact O-N 3.03Å; V344-F375 HydrophobicContact CG2-CE1 3.55Å; V344-F375 HydrophobicContact CG2-CZ 3.74Å; V344-R377 VanDerWaalsContact CG1-CD 3.43Å; V344-R377 HydrophobicContact CG1-CG 4.23Å; V344-L387 HydrophobicContact CG1-CD2 4.13Å
345	T	70.5	Confident	80.2	Confident	108 Å²	108	60.4 Å²	60.4	66%	0.663	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	102.2	-177.2	-49.9	0	0	0	0	109.6	R341 M343	R341-T345 WeakPolarHBondContact O-CB 3.44Å; R341-T345 PolarHBondContact O-N 2.96Å; R341-T345 PolarHBondContact O-OG1 3.11Å; M343-T345 VanDerWaalsContact C-N 3.3Å; M343-T345 PolarHBondContact O-N 2.72Å
346	G	66.3	Low	80	Confident	84 Å²	84	59.6 Å²	59.6	87%	0.866	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.5	5.7	174.7	0	0	0	0	0	116.2	V344	V344-G346 PolarHBondContact O-N 3.03Å
347	T	74	Confident	79.3	Confident	33 Å²	33	61.5 Å²	61.5	20%	0.202	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-99.5	144.4	175.4	57.3	0	0	0	0	112.3	C284 M343	C284-T347 WeakPolarHBondContact O-CB 2.94Å; C284-T347 WeakPolarHBondContact O-CG2 3.35Å; M343-T347 WeakPolarHBondContact O-CG2 3.33Å; M343-T347 PolarHBondContact O-OG1 2.71Å
348	A	79.9	Confident	78.1	Confident	63 Å²	63	67.7 Å²	67.7	52%	0.521	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-72.4	151.2	171	0	0	0	0	0	111.6	Y283 C284	Y283-A348 WeakPolarHBondContact CA-O 3.18Å; C284-A348 PolarHBondContact N-O 3.25Å
349	T	85.6	Confident	76.7	Confident	33 Å²	33	74.8 Å²	74.8	20%	0.202	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	150.7	170.6	46.6	0	0	0	0	110.4	D259 T281 G282 Y283	D259-T349 PolarHBondContact OD1-OG1 3.06Å; D259-T349 WeakPolarHBondContact OD2-CB 3.38Å; D259-T349 PolarHBondContact OD2-OG1 2.92Å; T281-T349 HydrophobicContact CG2-CG2 3.83Å; G282-T349 CarbonylContact O-C 3.45Å; G282-T349 WeakPolarHBondContact O-CA 3.06Å; Y283-T349 HydrophobicContact CD1-CG2 4.07Å; Y283-T349 HydrophobicContact CE1-CG2 3.81Å
350	C	85.6	Confident	75.5	Confident	4 Å²	4	74.9 Å²	74.9	3%	0.027	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	157.3	178.6	61.3	0	0	0	0	111.8	G282 Y283 C284 D355 C364	G282-C350 CarbonylContact C-O 3.57Å; G282-C350 VanDerWaalsContact CA-O 3.31Å; G282-C350 WeakPolarHBondContact CA-O 3.47Å; G282-C350 PolarHBondContact N-O 3.39Å; G282-C350 PolarHBondContact O-N 3.3Å; Y283-C350 VanDerWaalsContact CA-SG 3.55Å; Y283-C350 PolarHBondContact N-SG 3.42Å; Y283-C350 PolarHBondContact O-SG 2.98Å; C284-C350 VanDerWaalsContact SG-CB 3.58Å; C350-D355 HydrophobicContact CB-CB 3.75Å; C350-C364 VanDerWaalsContact C-SG 3.59Å; C350-C364 HydrophobicContact CB-CB 3.85Å; C350-C364 WeakPolarHBondContact CB-SG 3.29Å; C350-C364 WeakPolarHBondContact SG-CA 3.49Å; C350-C364 WeakPolarHBondContact SG-CB 3.41Å; C350-C364 CovalentContact SG-SG 2.03Å; C350-C364 PolarHBondContact SG-SG 3.17Å
351	R	84.4	Confident	75.1	Confident	191 Å²	191	78.1 Å²	78.1	72%	0.721	46%	0.459	S	S	*	.	S	Bend	trans	-114.1	-24.8	168.4	-64.5	-174	177	-169.4	0.4	111.7	D355	R351-D355 WeakPolarHBondContact CA-OD2 3.45Å; R351-D355 PolarHBondContact N-OD2 2.63Å
352	S	82.1	Confident	75.2	Confident	50 Å²	50	75.6 Å²	75.6	35%	0.35	45%	0.454	S	S	.	.	S	Bend	trans	-144	166	177.1	68	0	0	0	0	110.8	D354 D355 C364	S352-D354 PolarHBondContact O-N 3.3Å; S352-D355 PolarHBondContact N-OD2 2.94Å; S352-D355 WeakPolarHBondContact O-CB 3.49Å; S352-D355 PolarHBondContact O-N 2.71Å; S352-D355 VanDerWaalsContact O-N 3.15Å; S352-D355 PolarHBondContact OG-OD2 3Å; S352-C364 WeakPolarHBondContact O-CB 3.44Å
353	D	80.6	Confident	75.6	Confident	63 Å²	63	67.5 Å²	67.5	34%	0.337	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-60.4	-25.8	178.5	-67.1	-32.9	0	0	0	112.8	D355 C356 C364	D353-D355 PolarHBondContact O-N 2.73Å; D353-C356 PolarHBondContact O-N 3Å; D353-C364 WeakPolarHBondContact OD1-CB 3.38Å; D353-C364 PolarHBondContact OD1-N 3.07Å
354	D	80.5	Confident	76.1	Confident	143 Å²	143	67.4 Å²	67.4	77%	0.765	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-65.6	-27.2	178.9	-64.6	-33.6	0	0	0	112.6	S352 C356	S352-D354 PolarHBondContact O-N 3.3Å; D354-C356 PolarHBondContact O-N 2.88Å
355	D	82.1	Confident	76.8	Confident	87 Å²	87	67.2 Å²	67.2	47%	0.465	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-71.6	-15.5	179.9	-57.3	-45.2	0	0	0	112.3	C350 R351 S352 D353	C350-D355 HydrophobicContact CB-CB 3.75Å; R351-D355 WeakPolarHBondContact CA-OD2 3.45Å; R351-D355 PolarHBondContact N-OD2 2.63Å; S352-D355 PolarHBondContact N-OD2 2.94Å; S352-D355 WeakPolarHBondContact O-CB 3.49Å; S352-D355 PolarHBondContact O-N 2.71Å; S352-D355 VanDerWaalsContact O-N 3.15Å; S352-D355 PolarHBondContact OG-OD2 3Å; D353-D355 PolarHBondContact O-N 2.73Å
356	C	80.6	Confident	77.7	Confident	12 Å²	12	63.7 Å²	63.7	8%	0.081	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-91.2	6.6	-174.9	-61.6	0	0	0	0	115.1	C284 D353 D354 S360	C284-C356 WeakPolarHBondContact CA-SG 3.3Å; C284-C356 HydrophobicContact CB-CB 3.66Å; C284-C356 WeakPolarHBondContact CB-SG 3.48Å; C284-C356 WeakPolarHBondContact SG-CA 3.45Å; C284-C356 WeakPolarHBondContact SG-CB 3.36Å; C284-C356 CovalentContact SG-SG 2.04Å; C284-C356 PolarHBondContact SG-SG 2.78Å; D353-C356 PolarHBondContact O-N 3Å; D354-C356 PolarHBondContact O-N 2.88Å; C356-S360 PolarHBondContact O-OG 3.29Å; C356-S360 VanDerWaalsContact O-OG 3.09Å
357	G	70.4	Confident	78.8	Confident	40 Å²	40	60 Å²	60	41%	0.412	36%	0.358	S	S	.	.			trans	78.7	126.4	171.2	0	0	0	0	0	114.1	N359 S360	G357-N359 VanDerWaalsContact C-N 3.25Å; G357-N359 PolarHBondContact O-N 3.34Å; G357-N359 VanDerWaalsContact O-N 3.08Å; G357-S360 PolarHBondContact O-N 3.19Å
358	V	58.5	Low	79.4	Confident	149 Å²	149	59.5 Å²	59.5	90%	0.903	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.3	-169.2	-172.3	0	0	0	0	114.9
359	N	54.8	Low	79.7	Confident	172 Å²	172	58.2 Å²	58.2	92%	0.92	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-0.6	-174.7	-79.2	-10.5	0	0	0	114.9	G357	G357-N359 VanDerWaalsContact C-N 3.25Å; G357-N359 PolarHBondContact O-N 3.34Å; G357-N359 VanDerWaalsContact O-N 3.08Å
360	S	58	Low	79.6	Confident	56 Å²	56	60.6 Å²	60.6	39%	0.392	35%	0.348	S	S	.	.	S	Bend	trans	-111.7	135	176.4	80.1	0	0	0	0	109.3	C356 G357 S362	C356-S360 PolarHBondContact O-OG 3.29Å; C356-S360 VanDerWaalsContact O-OG 3.09Å; G357-S360 PolarHBondContact O-N 3.19Å; S360-S362 PolarHBondContact O-N 3.42Å; S360-S362 WeakPolarHBondContact OG-CB 3.47Å; S360-S362 PolarHBondContact OG-OG 3.12Å
361	A	73.2	Confident	79.4	Confident	81 Å²	81	67.8 Å²	67.8	67%	0.669	39%	0.386	S	S	*	.			trans	-71.6	56.5	173.4	0	0	0	0	0	110.3	P286 V287	P286-A361 CarbonylContact C-O 3.37Å; P286-A361 WeakPolarHBondContact CA-O 3.21Å; V287-A361 WeakPolarHBondContact CB-O 3.37Å; V287-A361 VanDerWaalsContact CG2-O 3.32Å; V287-A361 WeakPolarHBondContact CG2-O 3.18Å; V287-A361 PolarHBondContact N-O 3.44Å
362	S	83.5	Confident	79.2	Confident	25 Å²	25	65 Å²	65	18%	0.175	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	140.5	-178.3	-52.5	0	0	0	0	109.3	V285 S360	V285-S362 CarbonylContact O-C 3.49Å; V285-S362 VanDerWaalsContact O-CA 3.25Å; V285-S362 WeakPolarHBondContact O-CA 3.4Å; S360-S362 PolarHBondContact O-N 3.42Å; S360-S362 WeakPolarHBondContact OG-CB 3.47Å; S360-S362 PolarHBondContact OG-OG 3.12Å
363	V	86.1	Confident	79.4	Confident	8 Å²	8	64 Å²	64	5%	0.048	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	153.8	175.9	-69.2	0	0	0	0	109.7	V285 V287 L290 Y322 V365	V285-V363 PolarHBondContact N-O 3.02Å; V285-V363 PolarHBondContact O-N 3.28Å; V287-V363 HydrophobicContact CG2-CB 4.39Å; V287-V363 HydrophobicContact CG2-CG1 3.66Å; V287-V363 HydrophobicContact CG2-CG2 3.97Å; L290-V363 HydrophobicContact CD1-CG2 3.4Å; Y322-V363 HydrophobicContact CD2-CG2 4.24Å; V363-V365 HydrophobicContact CG2-CG1 4.32Å; V363-V365 PolarHBondContact O-N 3.25Å
364	C	87.9	Confident	79.8	Confident	8 Å²	8	62.2 Å²	62.2	5%	0.054	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	109.5	176.2	-172.6	0	0	0	0	109.6	C350 S352 D353	C350-C364 VanDerWaalsContact C-SG 3.59Å; C350-C364 HydrophobicContact CB-CB 3.85Å; C350-C364 WeakPolarHBondContact CB-SG 3.29Å; C350-C364 WeakPolarHBondContact SG-CA 3.49Å; C350-C364 WeakPolarHBondContact SG-CB 3.41Å; C350-C364 CovalentContact SG-SG 2.03Å; C350-C364 PolarHBondContact SG-SG 3.17Å; S352-C364 WeakPolarHBondContact O-CB 3.44Å; D353-C364 WeakPolarHBondContact OD1-CB 3.38Å; D353-C364 PolarHBondContact OD1-N 3.07Å
365	V	88.6	Confident	80.2	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.006	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	134.2	175.4	-57.9	0	0	0	0	109.4	G282 Y283 V285 L290 F320 Y322 M343 V363	G282-V365 CarbonylContact C-O 3.57Å; G282-V365 WeakPolarHBondContact CA-O 3.45Å; Y283-V365 PolarHBondContact N-O 3.02Å; Y283-V365 VanDerWaalsContact O-CG2 3.31Å; Y283-V365 WeakPolarHBondContact O-CG2 3.48Å; Y283-V365 PolarHBondContact O-N 3.26Å; V285-V365 HydrophobicContact CB-CG1 4.16Å; V285-V365 HydrophobicContact CB-CG2 4.12Å; V285-V365 HydrophobicContact CG2-CG1 4.45Å; V285-V365 HydrophobicContact CG2-CG2 3.5Å; L290-V365 HydrophobicContact CD1-CG1 4.4Å; L290-V365 HydrophobicContact CD2-CG1 3.81Å; F320-V365 HydrophobicContact CB-CB 4.1Å; F320-V365 HydrophobicContact CB-CG2 4.5Å; F320-V365 HydrophobicContact CD1-CB 4.36Å; F320-V365 HydrophobicContact CD1-CG2 4.04Å; F320-V365 HydrophobicContact CG-CG2 4.43Å; Y322-V365 HydrophobicContact CD1-CG1 4.5Å; Y322-V365 HydrophobicContact CG-CG1 4.4Å; M343-V365 HydrophobicContact SD-CG2 4.02Å; V363-V365 HydrophobicContact CG2-CG1 4.32Å; V363-V365 PolarHBondContact O-N 3.25Å
366	T	88.9	Confident	80.6	Confident	34 Å²	34	51.5 Å²	51.5	21%	0.209	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.9	-179.6	49.1	0	0	0	0	110.1	F320 S321 S368	F320-T366 CarbonylContact C-O 3.5Å; F320-T366 WeakPolarHBondContact CA-O 3.22Å; S321-T366 PolarHBondContact N-O 2.74Å; S321-T366 PolarHBondContact O-N 3.49Å; S321-T366 PolarHBondContact O-OG1 3.37Å; S321-T366 PolarHBondContact OG-OG1 2.97Å; T366-S368 PolarHBondContact O-N 3Å
367	P	89.2	Confident	81	Confident	8 Å²	8	52.5 Å²	52.5	5%	0.052	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	135.3	-178.2	24.7	-30.1	0	0	0	110.6	Q280 L318 F320 L369 F375	Q280-P367 HydrophobicContact CG-CG 3.52Å; L318-P367 HydrophobicContact CD2-CB 3.55Å; L318-P367 HydrophobicContact CG-CB 4.42Å; F320-P367 HydrophobicContact CD1-CB 3.83Å; F320-P367 HydrophobicContact CD1-CG 4.4Å; F320-P367 HydrophobicContact CE1-CB 3.63Å; F320-P367 HydrophobicContact CE1-CG 4.08Å; F320-P367 HydrophobicContact CZ-CB 4.28Å; P367-L369 HydrophobicContact CB-CD1 4.03Å; P367-L369 HydrophobicContact CB-CG 4.06Å; P367-L369 HydrophobicContact CG-CD1 4.15Å; P367-L369 PolarHBondContact O-N 3.25Å; P367-L369 VanDerWaalsContact O-N 3.08Å; P367-F375 HydrophobicContact CG-CB 4.15Å
368	S	87.4	Confident	81.9	Confident	22 Å²	22	50.6 Å²	50.6	15%	0.154	29%	0.287	C	S	.	.			trans	-81.2	85.1	178.9	-174.7	0	0	0	0	108.9	M307 C319 T366	M307-S368 PolarHBondContact N-OG 3.36Å; M307-S368 VanDerWaalsContact N-OG 3.12Å; M307-S368 VanDerWaalsContact O-CB 3.25Å; M307-S368 WeakPolarHBondContact O-CB 3.31Å; M307-S368 PolarHBondContact O-OG 3.05Å; C319-S368 WeakPolarHBondContact O-CB 3.41Å; C319-S368 PolarHBondContact O-N 3.27Å; T366-S368 PolarHBondContact O-N 3Å
369	L	86.2	Confident	83.4	Confident	35 Å²	35	44 Å²	44	18%	0.183	25%	0.248	C	C	.	.			trans	-122.4	159.8	-176.4	-65.4	176.1	0	0	0	111	T306 L318 P367 T373 F375 V389	T306-L369 VanDerWaalsContact CG2-C 3.42Å; L318-L369 HydrophobicContact CD1-CD2 3.97Å; L318-L369 HydrophobicContact CD2-CD2 4.37Å; P367-L369 HydrophobicContact CB-CD1 4.03Å; P367-L369 HydrophobicContact CB-CG 4.06Å; P367-L369 HydrophobicContact CG-CD1 4.15Å; P367-L369 PolarHBondContact O-N 3.25Å; P367-L369 VanDerWaalsContact O-N 3.08Å; L369-T373 HydrophobicContact CD1-CG2 4.4Å; L369-T373 HydrophobicContact CD2-CG2 4.35Å; L369-F375 HydrophobicContact CD1-CB 3.88Å; L369-V389 HydrophobicContact CD2-CG1 4.05Å
370	E	83.8	Confident	84.9	Confident	84 Å²	84	36 Å²	36	39%	0.393	21%	0.205	S	C	.	.			trans	-63.4	156.3	173.6	-63	-178.4	-174.6	0	0	111	D304 T306 Q372 T373	D304-E370 HydrophobicContact CB-CG 3.9Å; D304-E370 WeakPolarHBondContact CB-OE1 3.14Å; D304-E370 VanDerWaalsContact OD2-OE1 3.09Å; T306-E370 HydrophobicContact CG2-CB 4.29Å; T306-E370 HydrophobicContact CG2-CG 3.8Å; E370-Q372 PolarHBondContact O-N 2.94Å; E370-T373 PolarHBondContact O-N 3.27Å; E370-T373 VanDerWaalsContact O-N 3.07Å
371	N	79.6	Confident	85.9	Confident	154 Å²	154	37 Å²	37	82%	0.824	21%	0.21	S	C	*	.	S	Bend	trans	-59.1	-22.5	-177.5	-86.1	-8.6	0	0	0	114.6	R374	N371-R374 PolarHBondContact O-NH1 3.31Å; N371-R374 PolarHBondContact O-NH2 3.49Å; N371-R374 VanDerWaalsContact O-NH2 3.11Å
372	Q	81.4	Confident	85.9	Confident	134 Å²	134	39.6 Å²	39.6	63%	0.626	22%	0.22	S	C	*	.	S	Bend	trans	-95.8	-26	177.7	-64.2	-174.6	-11.7	0	0	112.7	E370 F391	E370-Q372 PolarHBondContact O-N 2.94Å; Q372-F391 HydrophobicContact CB-CD2 4.19Å; Q372-F391 HydrophobicContact CB-CE2 4.44Å; Q372-F391 WeakPolarHBondContact O-CD2 3.26Å
373	T	86.3	Confident	85.7	Confident	28 Å²	28	40.5 Å²	40.5	17%	0.172	23%	0.227	C	C	.	.			trans	-77.7	138.5	178.9	-45.3	0	0	0	0	110.2	L369 E370 V389	L369-T373 HydrophobicContact CD1-CG2 4.4Å; L369-T373 HydrophobicContact CD2-CG2 4.35Å; E370-T373 PolarHBondContact O-N 3.27Å; E370-T373 VanDerWaalsContact O-N 3.07Å; T373-V389 HydrophobicContact CG2-CG1 3.81Å
374	R	88.9	Confident	85.4	Confident	26 Å²	26	44 Å²	44	10%	0.098	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	147.1	171.1	-64.3	-67.4	176.2	-81.8	-4.4	110.6	L275 A278 Q280 N371 I376 V389 G390 P392	L275-R374 PolarHBondContact O-NE 3.48Å; A278-R374 PolarHBondContact O-NE 2.83Å; A278-R374 PolarHBondContact O-NH2 3.16Å; Q280-R374 VanDerWaalsContact OE1-CA 3.29Å; N371-R374 PolarHBondContact O-NH1 3.31Å; N371-R374 PolarHBondContact O-NH2 3.49Å; N371-R374 VanDerWaalsContact O-NH2 3.11Å; R374-I376 HydrophobicContact CB-CD1 4.29Å; R374-I376 HydrophobicContact CB-CG1 3.9Å; R374-V389 WeakPolarHBondContact O-CA 3.31Å; R374-G390 PolarHBondContact N-O 2.99Å; R374-G390 PolarHBondContact O-N 3.33Å; R374-P392 HydrophobicContact CB-CG 3.91Å; R374-P392 HydrophobicContact CG-CG 3.63Å
375	F	89.7	Confident	85.4	Confident	5 Å²	5	47.4 Å²	47.4	2%	0.022	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	120.9	160.5	-178.3	-113.3	0	0	0	108.9	Q280 Y283 V340 V344 P367 L369 L387 F388 V389	Q280-F375 PolarHBondContact NE2-O 2.82Å; Y283-F375 AromaticContact CE2-CD1 3.71Å; Y283-F375 HydrophobicContact CE2-CD1 3.71Å; Y283-F375 AromaticContact CE2-CE1 3.84Å; Y283-F375 HydrophobicContact CE2-CE1 3.84Å; Y283-F375 AromaticContact CZ-CD1 3.88Å; Y283-F375 AromaticContact CZ-CE1 3.78Å; Y283-F375 VanDerWaalsContact OH-CD1 3.24Å; Y283-F375 WeakPolarHBondContact OH-CD1 3.3Å; Y283-F375 VanDerWaalsContact OH-CE1 3.28Å; Y283-F375 WeakPolarHBondContact OH-CE1 3.47Å; V340-F375 HydrophobicContact CG1-CD2 4.49Å; V340-F375 HydrophobicContact CG1-CE1 4.01Å; V340-F375 HydrophobicContact CG1-CE2 3.44Å; V340-F375 VanDerWaalsContact CG1-CE2 3.44Å; V340-F375 HydrophobicContact CG1-CZ 3.14Å; V344-F375 HydrophobicContact CG2-CE1 3.55Å; V344-F375 HydrophobicContact CG2-CZ 3.74Å; P367-F375 HydrophobicContact CG-CB 4.15Å; L369-F375 HydrophobicContact CD1-CB 3.88Å; F375-L387 HydrophobicContact CE2-CB 3.94Å; F375-L387 HydrophobicContact CE2-CD2 4.45Å; F375-L387 HydrophobicContact CZ-CB 4.19Å; F375-L387 HydrophobicContact CZ-CD1 4.23Å; F375-L387 HydrophobicContact CZ-CD2 3.87Å; F375-L387 HydrophobicContact CZ-CG 4.31Å; F375-F388 CarbonylContact C-O 3.52Å; F375-F388 WeakPolarHBondContact CA-O 3.45Å; F375-V389 HydrophobicContact CD2-CG2 3.61Å; F375-V389 HydrophobicContact CE2-CG2 4.19Å
376	I	89.4	Confident	85.4	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	127.8	-174.2	-48.3	175.1	0	0	0	110.5	L257 E258 L272 L275 R374 V378 F388 P392	L257-I376 HydrophobicContact CD2-CG2 4.04Å; E258-I376 HydrophobicContact CG-CG2 4.19Å; E258-I376 VanDerWaalsContact OE1-C 3.31Å; E258-I376 VanDerWaalsContact OE1-CA 3.27Å; E258-I376 WeakPolarHBondContact OE1-CA 3.21Å; L272-I376 HydrophobicContact CD2-CD1 4.18Å; L275-I376 HydrophobicContact CD1-CD1 4.22Å; L275-I376 HydrophobicContact CD1-CG1 4.38Å; L275-I376 HydrophobicContact CD1-CG2 3.95Å; R374-I376 HydrophobicContact CB-CD1 4.29Å; R374-I376 HydrophobicContact CB-CG1 3.9Å; I376-V378 HydrophobicContact CG2-CG2 4.38Å; I376-F388 HydrophobicContact CB-CB 4.26Å; I376-F388 HydrophobicContact CB-CD1 4.38Å; I376-F388 HydrophobicContact CD1-CD1 3.86Å; I376-F388 HydrophobicContact CD1-CE1 4.32Å; I376-F388 HydrophobicContact CG1-CD1 4.22Å; I376-F388 PolarHBondContact N-O 2.93Å; I376-F388 PolarHBondContact O-N 3.33Å; I376-P392 HydrophobicContact CD1-CB 3.93Å; I376-P392 HydrophobicContact CD1-CG 4.03Å
377	R	89.1	Confident	85.4	Confident	32 Å²	32	47.9 Å²	47.9	12%	0.121	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	114.8	172.9	-174.5	177.2	73.5	-178.8	-7.4	109.7	E258 V344 H385 L387	E258-R377 VanDerWaalsContact CD-N 3.33Å; E258-R377 HydrophobicContact CG-CB 4.5Å; E258-R377 PolarHBondContact N-O 2.91Å; E258-R377 VanDerWaalsContact OE1-CB 3.26Å; E258-R377 WeakPolarHBondContact OE1-CB 3.38Å; E258-R377 PolarHBondContact OE1-N 2.92Å; E258-R377 IonicContact OE2-NE 3.26Å; V344-R377 VanDerWaalsContact CG1-CD 3.43Å; V344-R377 HydrophobicContact CG1-CG 4.23Å; R377-H385 WeakPolarHBondContact CD-ND1 3.42Å; R377-H385 HydrophobicContact CG-CB 3.98Å; R377-L387 HydrophobicContact CB-CD2 4.32Å; R377-L387 HydrophobicContact CG-CD2 4.13Å
378	V	90.4	Very high	85.3	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	119.6	178.6	-170.7	0	0	0	0	109	L248 V254 L257 W268 I376 H385 M386 L395	L248-V378 HydrophobicContact CD1-CG1 4.45Å; L248-V378 HydrophobicContact CD2-CG1 4.29Å; V254-V378 HydrophobicContact CG1-CG1 3.78Å; V254-V378 HydrophobicContact CG2-CG1 4.2Å; L257-V378 HydrophobicContact CD2-CB 4.2Å; L257-V378 HydrophobicContact CD2-CG1 3.97Å; L257-V378 HydrophobicContact CD2-CG2 3.71Å; W268-V378 HydrophobicContact CZ3-CG1 4.11Å; I376-V378 HydrophobicContact CG2-CG2 4.38Å; V378-H385 WeakPolarHBondContact O-CA 3.41Å; V378-M386 HydrophobicContact CB-CB 4.18Å; V378-M386 HydrophobicContact CG2-SD 4.33Å; V378-M386 PolarHBondContact N-O 3.14Å; V378-M386 PolarHBondContact O-N 3.09Å; V378-M386 VanDerWaalsContact O-N 3.12Å; V378-L395 HydrophobicContact CG2-CD2 4.04Å
379	A	88.2	Confident	85.3	Confident	11 Å²	11	50.2 Å²	50.2	9%	0.091	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	118.9	179.9	0	0	0	0	0	111.2	V254 T255 R256	V254-A379 WeakPolarHBondContact CA-O 3.35Å; T255-A379 PolarHBondContact N-O 2.62Å; T255-A379 PolarHBondContact OG1-O 2.81Å; R256-A379 HydrophobicContact CB-CB 3.87Å; R256-A379 PolarHBondContact O-N 2.6Å
380	H	88.1	Confident	85.3	Confident	3 Å²	3	49.3 Å²	49.3	1%	0.014	28%	0.277	C	S	.	.			trans	-138.2	73.6	-179.7	62.4	116.8	0	0	0	111.4	L248 D252 L253 S383 P384	L248-H380 HydrophobicContact CD2-CB 4.1Å; D252-H380 HydrophobicContact CB-CB 4.34Å; D252-H380 IonicContact OD1-ND1 3.42Å; D252-H380 IonicContact OD2-CE1 2.69Å; D252-H380 PolarHBondContact OD2-CE1 3.38Å; D252-H380 IonicContact OD2-ND1 3.04Å; D252-H380 PolarHBondContact OD2-ND1 3.14Å; L253-H380 VanDerWaalsContact O-CA 3.27Å; L253-H380 WeakPolarHBondContact O-CA 3.3Å; H380-S383 WeakPolarHBondContact CE1-CB 3.43Å; H380-S383 WeakPolarHBondContact ND1-CB 3.24Å; H380-S383 WeakPolarHBondContact O-CB 3.21Å; H380-S383 PolarHBondContact O-N 2.86Å; H380-P384 PolarHBondContact NE2-O 3.26Å
381	P	78	Confident	85.5	Confident	77 Å²	77	48.9 Å²	48.9	50%	0.5	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	146.1	-179	27.1	-33.3	0	0	0	111.1	T255	T255-P381 HydrophobicContact CG2-CG 4.09Å; T255-P381 WeakPolarHBondContact OG1-CD 3.46Å
382	P	72.4	Confident	85.9	Confident	136 Å²	136	41.5 Å²	41.5	88%	0.883	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	cis	-83.9	-1.2	9	34.4	-36.5	0	0	0	115
383	S	80.1	Confident	85.9	Confident	45 Å²	45	36.5 Å²	36.5	32%	0.315	21%	0.213	S	C	.	.	S	Bend	trans	-74.5	149.7	-177	-66.5	0	0	0	0	112.4	H380	H380-S383 WeakPolarHBondContact CE1-CB 3.43Å; H380-S383 WeakPolarHBondContact ND1-CB 3.24Å; H380-S383 WeakPolarHBondContact O-CB 3.21Å; H380-S383 PolarHBondContact O-N 2.86Å
384	P	80.8	Confident	85.8	Confident	82 Å²	82	40.7 Å²	40.7	53%	0.532	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-65.7	145.2	176.8	27	-33.7	0	0	0	110.9	H380 M386	H380-P384 PolarHBondContact NE2-O 3.26Å; P384-M386 PolarHBondContact O-N 2.97Å
385	H	86.5	Confident	85.5	Confident	79 Å²	79	39.5 Å²	39.5	37%	0.366	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-51.3	133.3	-175.3	-57.2	167.5	0	0	0	113.2	R341 R377 V378	R341-H385 PolarHBondContact NH1-O 3.43Å; R377-H385 WeakPolarHBondContact CD-ND1 3.42Å; R377-H385 HydrophobicContact CG-CB 3.98Å; V378-H385 WeakPolarHBondContact O-CA 3.41Å
386	M	89.1	Confident	85	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.02	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	138.4	165.5	172.7	-163.5	168.5	0	0	108.8	A241 A242 L248 V378 P384 F388 L395	A241-M386 VanDerWaalsContact O-CE 3.31Å; A241-M386 WeakPolarHBondContact O-CE 3.48Å; A242-M386 HydrophobicContact CB-CE 3.93Å; A242-M386 HydrophobicContact CB-SD 4.48Å; L248-M386 HydrophobicContact CD1-SD 3.91Å; L248-M386 HydrophobicContact CG-SD 3.68Å; V378-M386 HydrophobicContact CB-CB 4.18Å; V378-M386 HydrophobicContact CG2-SD 4.33Å; V378-M386 PolarHBondContact N-O 3.14Å; V378-M386 PolarHBondContact O-N 3.09Å; V378-M386 VanDerWaalsContact O-N 3.12Å; P384-M386 PolarHBondContact O-N 2.97Å; M386-F388 HydrophobicContact CE-CB 4.05Å; M386-F388 HydrophobicContact CE-CD2 3.95Å; M386-F388 HydrophobicContact CE-CG 4.47Å; M386-L395 HydrophobicContact CE-CD1 3.93Å
387	L	88.2	Confident	84.5	Confident	41 Å²	41	52 Å²	52	22%	0.215	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	119.6	177.6	-58.3	179.2	0	0	0	108.2	V340 R341 V344 F375 R377	V340-L387 HydrophobicContact CG1-CD1 3.98Å; R341-L387 HydrophobicContact CB-CD1 4.09Å; R341-L387 HydrophobicContact CG-CD1 4.39Å; V344-L387 HydrophobicContact CG1-CD2 4.13Å; F375-L387 HydrophobicContact CE2-CB 3.94Å; F375-L387 HydrophobicContact CE2-CD2 4.45Å; F375-L387 HydrophobicContact CZ-CB 4.19Å; F375-L387 HydrophobicContact CZ-CD1 4.23Å; F375-L387 HydrophobicContact CZ-CD2 3.87Å; F375-L387 HydrophobicContact CZ-CG 4.31Å; R377-L387 HydrophobicContact CB-CD2 4.32Å; R377-L387 HydrophobicContact CG-CD2 4.13Å
388	F	88.4	Confident	83.9	Confident	6 Å²	6	51 Å²	51	3%	0.026	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.3	-177.3	179.9	-99.1	0	0	0	110	A241 F375 I376 M386 H394 L395	A241-F388 HydrophobicContact CB-CD2 4.12Å; A241-F388 HydrophobicContact CB-CE2 3.81Å; F375-F388 CarbonylContact C-O 3.52Å; F375-F388 WeakPolarHBondContact CA-O 3.45Å; I376-F388 HydrophobicContact CB-CB 4.26Å; I376-F388 HydrophobicContact CB-CD1 4.38Å; I376-F388 HydrophobicContact CD1-CD1 3.86Å; I376-F388 HydrophobicContact CD1-CE1 4.32Å; I376-F388 HydrophobicContact CG1-CD1 4.22Å; I376-F388 PolarHBondContact N-O 2.93Å; I376-F388 PolarHBondContact O-N 3.33Å; M386-F388 HydrophobicContact CE-CB 4.05Å; M386-F388 HydrophobicContact CE-CD2 3.95Å; M386-F388 HydrophobicContact CE-CG 4.47Å; F388-H394 HydrophobicContact CZ-CB 4.38Å; F388-L395 HydrophobicContact CB-CD2 4.28Å; F388-L395 HydrophobicContact CD1-CB 4.38Å; F388-L395 HydrophobicContact CD1-CD2 4.14Å; F388-L395 HydrophobicContact CD2-CB 4.36Å; F388-L395 HydrophobicContact CD2-CD1 3.82Å; F388-L395 HydrophobicContact CD2-CD2 4.35Å; F388-L395 HydrophobicContact CD2-CG 4.4Å; F388-L395 HydrophobicContact CE1-CB 4Å; F388-L395 HydrophobicContact CE2-CB 3.97Å; F388-L395 HydrophobicContact CE2-CD1 4.01Å; F388-L395 HydrophobicContact CE2-CG 4.46Å; F388-L395 HydrophobicContact CG-CD1 4.31Å; F388-L395 HydrophobicContact CG-CD2 4.01Å; F388-L395 HydrophobicContact CZ-CB 3.78Å
389	V	87.3	Confident	83.3	Confident	73 Å²	73	51.2 Å²	51.2	44%	0.442	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	112.2	169.2	-179.6	0	0	0	0	107	L369 T373 R374 F375	L369-V389 HydrophobicContact CD2-CG1 4.05Å; T373-V389 HydrophobicContact CG2-CG1 3.81Å; R374-V389 WeakPolarHBondContact O-CA 3.31Å; F375-V389 HydrophobicContact CD2-CG2 3.61Å; F375-V389 HydrophobicContact CE2-CG2 4.19Å
390	G	86.1	Confident	82.2	Confident	15 Å²	15	53.5 Å²	53.5	16%	0.155	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.1	-174	-178.1	0	0	0	0	0	113.1	R374	R374-G390 PolarHBondContact N-O 2.99Å; R374-G390 PolarHBondContact O-N 3.33Å
391	F	87.1	Confident	80.8	Confident	75 Å²	75	54.4 Å²	54.4	33%	0.329	30%	0.297	S	S	.	.			trans	-74.1	123.3	173.1	-172.4	-134.5	0	0	0	109.2	Q372 P393 H394	Q372-F391 HydrophobicContact CB-CD2 4.19Å; Q372-F391 HydrophobicContact CB-CE2 4.44Å; Q372-F391 WeakPolarHBondContact O-CD2 3.26Å; F391-P393 VanDerWaalsContact C-CD 3.5Å; F391-P393 VanDerWaalsContact C-N 3.33Å; F391-P393 HydrophobicContact CD1-CB 3.99Å; F391-P393 HydrophobicContact CD1-CG 3.87Å; F391-P393 HydrophobicContact CE1-CB 3.81Å; F391-P393 HydrophobicContact CE1-CG 3.43Å; F391-P393 VanDerWaalsContact CE1-CG 3.43Å; F391-P393 HydrophobicContact CE2-CG 4.17Å; F391-P393 HydrophobicContact CG-CG 4.41Å; F391-P393 HydrophobicContact CZ-CB 4.46Å; F391-P393 HydrophobicContact CZ-CG 3.6Å; F391-H394 AromaticContact CD1-CD2 3.9Å; F391-H394 AromaticContact CD1-NE2 3.83Å; F391-H394 WeakPolarHBondContact O-CB 3.23Å; F391-H394 PolarHBondContact O-N 3.41Å
392	P	88.4	Confident	79.4	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-53.3	-38.3	-174.1	-24	30.3	0	0	0	115.2	L272 R374 I376 H394 L395	L272-P392 HydrophobicContact CD2-CB 4.37Å; R374-P392 HydrophobicContact CB-CG 3.91Å; R374-P392 HydrophobicContact CG-CG 3.63Å; I376-P392 HydrophobicContact CD1-CB 3.93Å; I376-P392 HydrophobicContact CD1-CG 4.03Å; P392-H394 VanDerWaalsContact C-N 3.25Å; P392-H394 PolarHBondContact O-N 2.7Å; P392-L395 WeakPolarHBondContact O-CB 3.29Å; P392-L395 PolarHBondContact O-N 3.49Å
393	P	82.7	Confident	77.9	Confident	28 Å²	28	53 Å²	53	18%	0.182	28%	0.278	C	S	.	.	H	α-helix	trans	-59.7	-28.7	173.2	-29.5	39.3	0	0	0	114.6	F391 L395 Q396 Y397	F391-P393 VanDerWaalsContact C-CD 3.5Å; F391-P393 VanDerWaalsContact C-N 3.33Å; F391-P393 HydrophobicContact CD1-CB 3.99Å; F391-P393 HydrophobicContact CD1-CG 3.87Å; F391-P393 HydrophobicContact CE1-CB 3.81Å; F391-P393 HydrophobicContact CE1-CG 3.43Å; F391-P393 VanDerWaalsContact CE1-CG 3.43Å; F391-P393 HydrophobicContact CE2-CG 4.17Å; F391-P393 HydrophobicContact CG-CG 4.41Å; F391-P393 HydrophobicContact CZ-CB 4.46Å; F391-P393 HydrophobicContact CZ-CG 3.6Å; P393-L395 PolarHBondContact O-N 3.33Å; P393-Q396 VanDerWaalsContact O-CB 3.29Å; P393-Q396 WeakPolarHBondContact O-CB 3.18Å; P393-Q396 PolarHBondContact O-N 3.29Å; P393-Y397 HydrophobicContact CB-CE2 4.32Å; P393-Y397 WeakPolarHBondContact O-CD2 3.42Å; P393-Y397 PolarHBondContact O-N 3.36Å; P393-Y397 VanDerWaalsContact O-N 3.15Å
394	H	83.9	Confident	76.1	Confident	117 Å²	117	55.6 Å²	55.6	54%	0.542	30%	0.296	S	S	.	.	H	α-helix	trans	-64.2	-30.7	174.9	-64.8	176.1	0	0	0	112	F388 F391 P392 Q396 Y397 A398	F388-H394 HydrophobicContact CZ-CB 4.38Å; F391-H394 AromaticContact CD1-CD2 3.9Å; F391-H394 AromaticContact CD1-NE2 3.83Å; F391-H394 WeakPolarHBondContact O-CB 3.23Å; F391-H394 PolarHBondContact O-N 3.41Å; P392-H394 VanDerWaalsContact C-N 3.25Å; P392-H394 PolarHBondContact O-N 2.7Å; H394-Q396 VanDerWaalsContact C-N 3.3Å; H394-Y397 PolarHBondContact O-N 3.05Å; H394-A398 WeakPolarHBondContact O-CB 3.38Å; H394-A398 PolarHBondContact O-N 3.27Å
395	L	82.3	Confident	74.5	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-69.8	-29.6	173.9	-170.9	57.8	0	0	0	111.8	A242 W268 L272 V378 M386 F388 P392 P393 V399	A242-L395 HydrophobicContact CB-CD1 4.09Å; W268-L395 HydrophobicContact CH2-CD2 4.11Å; W268-L395 HydrophobicContact CH2-CG 4.01Å; W268-L395 HydrophobicContact CZ2-CD2 4.5Å; W268-L395 HydrophobicContact CZ2-CG 4.02Å; L272-L395 HydrophobicContact CD2-CB 4.47Å; L272-L395 HydrophobicContact CD2-CD2 4.03Å; V378-L395 HydrophobicContact CG2-CD2 4.04Å; M386-L395 HydrophobicContact CE-CD1 3.93Å; F388-L395 HydrophobicContact CB-CD2 4.28Å; F388-L395 HydrophobicContact CD1-CB 4.38Å; F388-L395 HydrophobicContact CD1-CD2 4.14Å; F388-L395 HydrophobicContact CD2-CB 4.36Å; F388-L395 HydrophobicContact CD2-CD1 3.82Å; F388-L395 HydrophobicContact CD2-CD2 4.35Å; F388-L395 HydrophobicContact CD2-CG 4.4Å; F388-L395 HydrophobicContact CE1-CB 4Å; F388-L395 HydrophobicContact CE2-CB 3.97Å; F388-L395 HydrophobicContact CE2-CD1 4.01Å; F388-L395 HydrophobicContact CE2-CG 4.46Å; F388-L395 HydrophobicContact CG-CD1 4.31Å; F388-L395 HydrophobicContact CG-CD2 4.01Å; F388-L395 HydrophobicContact CZ-CB 3.78Å; P392-L395 WeakPolarHBondContact O-CB 3.29Å; P392-L395 PolarHBondContact O-N 3.49Å; P393-L395 PolarHBondContact O-N 3.33Å; L395-V399 HydrophobicContact CD1-CG2 4.23Å; L395-V399 PolarHBondContact O-N 2.68Å
396	Q	79.8	Confident	73.1	Confident	87 Å²	87	59.8 Å²	59.8	41%	0.407	31%	0.309	S	S	.	.	H	α-helix	trans	-69.9	-35	173.5	-172.9	174.9	-0.8	0	0	112.4	L272 P393 H394	L272-Q396 HydrophobicContact CD1-CB 3.86Å; P393-Q396 VanDerWaalsContact O-CB 3.29Å; P393-Q396 WeakPolarHBondContact O-CB 3.18Å; P393-Q396 PolarHBondContact O-N 3.29Å; H394-Q396 VanDerWaalsContact C-N 3.3Å
397	Y	77.9	Confident	72.3	Confident	182 Å²	182	66.1 Å²	66.1	71%	0.714	34%	0.338	S	S	*	.	H	α-helix	trans	-83.5	-23.7	176.5	-64.9	-68.1	0	0	0	113.4	P393 H394 V399	P393-Y397 HydrophobicContact CB-CE2 4.32Å; P393-Y397 WeakPolarHBondContact O-CD2 3.42Å; P393-Y397 PolarHBondContact O-N 3.36Å; P393-Y397 VanDerWaalsContact O-N 3.15Å; H394-Y397 PolarHBondContact O-N 3.05Å; Y397-V399 VanDerWaalsContact C-N 3.34Å
398	A	76.6	Confident	72.2	Confident	9 Å²	9	68.3 Å²	68.3	7%	0.074	35%	0.346	C	S	.	.	H	α-helix	trans	-78.4	-16.8	179.4	0	0	0	0	0	113.8	V236 V237 A242 H394	V236-A398 WeakPolarHBondContact CA-O 3.28Å; V237-A398 PolarHBondContact N-O 2.86Å; A242-A398 HydrophobicContact CB-CB 4.03Å; H394-A398 WeakPolarHBondContact O-CB 3.38Å; H394-A398 PolarHBondContact O-N 3.27Å
399	V	76.9	Confident	72.3	Confident	6 Å²	6	69.3 Å²	69.3	4%	0.036	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	119.1	-173	-174.3	0	0	0	0	110.1	V233 E235 A242 L248 W268 L395 Y397 Q401	V233-V399 HydrophobicContact CB-CG1 4.37Å; V233-V399 HydrophobicContact CG1-CG1 3.76Å; V233-V399 HydrophobicContact CG2-CG1 3.95Å; E235-V399 WeakPolarHBondContact O-CA 3.45Å; A242-V399 HydrophobicContact CB-CG2 3.62Å; L248-V399 HydrophobicContact CD1-CG1 4.19Å; L248-V399 HydrophobicContact CD1-CG2 3.8Å; W268-V399 HydrophobicContact CZ2-CB 4.39Å; L395-V399 HydrophobicContact CD1-CG2 4.23Å; L395-V399 PolarHBondContact O-N 2.68Å; Y397-V399 VanDerWaalsContact C-N 3.34Å; V399-Q401 HydrophobicContact CG1-CG 4.05Å
400	S	65.1	Low	72.4	Confident	58 Å²	58	71.7 Å²	71.7	41%	0.406	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	136.5	170.7	-165.1	0	0	0	0	109.9	T234 E235	T234-S400 PolarHBondContact N-O 2.72Å; T234-S400 VanDerWaalsContact OG1-C 3.3Å; T234-S400 PolarHBondContact OG1-O 3.14Å; E235-S400 PolarHBondContact N-O 3.08Å; E235-S400 PolarHBondContact O-N 3.32Å
401	Q	58.9	Low	72.7	Confident	22 Å²	22	72.7 Å²	72.7	10%	0.103	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	138	-178.8	-58.5	-176.9	-3.4	0	0	110.7	M232 V265 W268 V399	M232-Q401 WeakPolarHBondContact O-CA 3.34Å; V265-Q401 HydrophobicContact CG1-CB 4.41Å; V265-Q401 HydrophobicContact CG2-CB 3.69Å; W268-Q401 VanDerWaalsContact CB-OE1 3.24Å; W268-Q401 VanDerWaalsContact CD1-OE1 3.32Å; W268-Q401 VanDerWaalsContact CZ2-NE2 3.28Å; V399-Q401 HydrophobicContact CG1-CG 4.05Å
402	K	49.5	Very low	73	Confident	118 Å²	118	73.7 Å²	73.7	51%	0.513	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	137	169.9	-88	-166	173	-153.7	0	110.9	M232 T234 V265 E406	M232-K402 PolarHBondContact O-N 3.27Å; T234-K402 HydrophobicContact CG2-CB 3.83Å; T234-K402 HydrophobicContact CG2-CD 4.45Å; T234-K402 HydrophobicContact CG2-CG 3.98Å; V265-K402 WeakPolarHBondContact CG2-O 3.45Å; K402-E406 IonicContact NZ-OE1 3.23Å; K402-E406 PolarHBondContact NZ-OE1 3.16Å
403	S	39.8	Very low	73.3	Confident	65 Å²	65	76.7 Å²	76.7	46%	0.455	40%	0.396	S	S	.	.			trans	-63.2	136.3	168	178.5	0	0	0	0	108.4	Q405	S403-Q405 PolarHBondContact O-N 3.4Å; S403-Q405 PolarHBondContact OG-N 3.32Å
404	S	42.9	Very low	73.7	Confident	101 Å²	101	75.4 Å²	75.4	71%	0.706	39%	0.388	S	S	*	.	S	Bend	trans	-73	18.2	173.2	68.8	0	0	0	0	113.3
405	Q	46.9	Very low	74.2	Confident	164 Å²	164	74.3 Å²	74.3	77%	0.766	39%	0.385	S	S	*	.			trans	-138.3	73.3	171.9	-74	-172.1	-19.6	0	0	110.3	S403 E407	S403-Q405 PolarHBondContact O-N 3.4Å; S403-Q405 PolarHBondContact OG-N 3.32Å; Q405-E407 PolarHBondContact O-N 3.48Å
406	E	56.5	Low	74.8	Confident	85 Å²	85	79 Å²	79	40%	0.397	41%	0.407	S	S	.	.			trans	-68.6	112.2	139.8	-78.4	173.7	-165.9	0	0	105.6	K402 F408 L1025	K402-E406 IonicContact NZ-OE1 3.23Å; K402-E406 PolarHBondContact NZ-OE1 3.16Å; E406-F408 HydrophobicContact CB-CD2 4.4Å; E406-F408 HydrophobicContact CB-CE2 3.73Å; E406-F408 HydrophobicContact CB-CZ 3.97Å; E406-F408 WeakPolarHBondContact O-CD2 3.48Å; E406-F408 WeakPolarHBondContact O-CE2 3.43Å; E406-F408 PolarHBondContact O-N 2.85Å; E406-L1025 HydrophobicContact CB-CD1 3.91Å; E406-L1025 HydrophobicContact CG-CD1 3.87Å; E406-L1025 WeakPolarHBondContact OE2-CD1 3.32Å
407	E	74.1	Confident	75.4	Confident	137 Å²	137	74.9 Å²	74.9	64%	0.64	39%	0.387	S	S	*	.			trans	-70.3	112	177.2	-169.1	-179.1	-178.8	0	0	107.9	Q405 P1024 L1025	Q405-E407 PolarHBondContact O-N 3.48Å; E407-P1024 HydrophobicContact CB-CB 4.47Å; E407-P1024 HydrophobicContact CG-CB 4.24Å; E407-P1024 HydrophobicContact CG-CG 4.31Å; E407-P1024 CarbonylContact O-C 3.53Å; E407-P1024 WeakPolarHBondContact O-CA 3.05Å; E407-P1024 VanDerWaalsContact O-CB 3.27Å; E407-P1024 WeakPolarHBondContact O-CB 3.47Å; E407-L1025 PolarHBondContact O-N 2.79Å
408	F	85.9	Confident	76.1	Confident	87 Å²	87	66.4 Å²	66.4	38%	0.382	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-94.3	137.5	177.3	-70.5	-83	0	0	0	110.9	E406 L410 L1025	E406-F408 HydrophobicContact CB-CD2 4.4Å; E406-F408 HydrophobicContact CB-CE2 3.73Å; E406-F408 HydrophobicContact CB-CZ 3.97Å; E406-F408 WeakPolarHBondContact O-CD2 3.48Å; E406-F408 WeakPolarHBondContact O-CE2 3.43Å; E406-F408 PolarHBondContact O-N 2.85Å; F408-L410 HydrophobicContact CB-CD2 4.14Å; F408-L410 HydrophobicContact CB-CG 4.43Å; F408-L410 PolarHBondContact O-N 3.08Å; F408-L1025 CarbonylContact C-O 3.39Å; F408-L1025 WeakPolarHBondContact CA-O 2.97Å; F408-L1025 HydrophobicContact CD1-CB 3.82Å; F408-L1025 HydrophobicContact CE1-CB 3.88Å; F408-L1025 HydrophobicContact CE1-CD1 4.32Å
409	C	89.1	Confident	76.9	Confident	27 Å²	27	67.9 Å²	67.9	18%	0.182	37%	0.371	C	S	.	.			trans	-79.4	107.6	169.4	-175.6	0	0	0	0	110.2	S411 C414 P1024 L1025 P1027	C409-S411 PolarHBondContact SG-OG 3.04Å; C409-C414 HydrophobicContact CB-CB 3.51Å; C409-C414 WeakPolarHBondContact CB-SG 2.99Å; C409-C414 WeakPolarHBondContact O-CB 3.48Å; C409-C414 WeakPolarHBondContact SG-CB 3.49Å; C409-C414 CovalentContact SG-SG 2.02Å; C409-C414 PolarHBondContact SG-SG 2.81Å; C409-P1024 HydrophobicContact CB-CB 4.03Å; C409-L1025 PolarHBondContact N-O 2.87Å; C409-P1027 VanDerWaalsContact O-CD 3.23Å; C409-P1027 WeakPolarHBondContact O-CD 3.44Å
410	L	90.8	Very high	77.5	Confident	123 Å²	123	69.2 Å²	69.2	64%	0.644	38%	0.381	S	S	*	.			trans	-102.5	17.1	180	-57.2	-179.3	0	0	0	113.2	F408 P1027	F408-L410 HydrophobicContact CB-CD2 4.14Å; F408-L410 HydrophobicContact CB-CG 4.43Å; F408-L410 PolarHBondContact O-N 3.08Å; L410-P1027 HydrophobicContact CD2-CB 3.91Å; L410-P1027 HydrophobicContact CD2-CG 4.17Å
411	S	91.5	Very high	78.9	Confident	36 Å²	36	66.6 Å²	66.6	25%	0.252	36%	0.362	S	S	.	.	S	Bend	trans	-66	154.2	172.4	75	0	0	0	0	110.6	C409 E413 C414 I415	C409-S411 PolarHBondContact SG-OG 3.04Å; S411-E413 WeakPolarHBondContact CB-OE2 3.4Å; S411-E413 PolarHBondContact O-N 3.17Å; S411-E413 PolarHBondContact OG-OE2 2.99Å; S411-C414 PolarHBondContact O-N 3.1Å; S411-C414 VanDerWaalsContact O-N 3.14Å; S411-C414 PolarHBondContact OG-N 3.13Å; S411-C414 PolarHBondContact OG-SG 2.81Å; S411-I415 WeakPolarHBondContact O-CG1 3.24Å; S411-I415 PolarHBondContact O-N 3.46Å
412	P	93.4	Very high	80.5	Confident	95 Å²	95	68.7 Å²	68.7	62%	0.617	37%	0.374	S	S	*	.	H	α-helix	trans	-51.6	-38.8	174.7	-27.3	35.7	0	0	0	113.1	I415 E416	P412-I415 PolarHBondContact O-N 3.17Å; P412-E416 WeakPolarHBondContact O-CB 3.31Å; P412-E416 PolarHBondContact O-N 3.34Å
413	E	93.8	Very high	82.6	Confident	63 Å²	63	65.6 Å²	65.6	29%	0.294	37%	0.367	S	S	.	.	H	α-helix	trans	-64.6	-44.5	179.6	-64	76.9	-159.5	0	0	111.8	S411 E416 A417 E917 Y918	S411-E413 WeakPolarHBondContact CB-OE2 3.4Å; S411-E413 PolarHBondContact O-N 3.17Å; S411-E413 PolarHBondContact OG-OE2 2.99Å; E413-E416 PolarHBondContact O-N 3.14Å; E413-A417 WeakPolarHBondContact O-CB 3.49Å; E413-A417 PolarHBondContact O-N 3.18Å; E413-E917 HydrophobicContact CB-CB 4.36Å; E413-E917 HydrophobicContact CG-CB 3.83Å; E413-Y918 HydrophobicContact CB-CD1 4.15Å; E413-Y918 HydrophobicContact CB-CD2 4.27Å; E413-Y918 HydrophobicContact CB-CE1 3.72Å; E413-Y918 HydrophobicContact CB-CE2 3.8Å; E413-Y918 HydrophobicContact CB-CG 4.4Å; E413-Y918 VanDerWaalsContact CB-CZ 3.45Å; E413-Y918 HydrophobicContact CG-CE1 4.47Å; E413-Y918 HydrophobicContact CG-CE2 3.79Å; E413-Y918 WeakPolarHBondContact CG-OH 3.43Å; E413-Y918 WeakPolarHBondContact O-CE1 3.47Å
414	C	92.3	Very high	85.2	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.014	35%	0.349	C	S	.	.	H	α-helix	trans	-67.3	-37.5	176.7	-73.1	0	0	0	0	112.2	C409 S411 A417 A418 L1026	C409-C414 HydrophobicContact CB-CB 3.51Å; C409-C414 WeakPolarHBondContact CB-SG 2.99Å; C409-C414 WeakPolarHBondContact O-CB 3.48Å; C409-C414 WeakPolarHBondContact SG-CB 3.49Å; C409-C414 CovalentContact SG-SG 2.02Å; C409-C414 PolarHBondContact SG-SG 2.81Å; S411-C414 PolarHBondContact O-N 3.1Å; S411-C414 VanDerWaalsContact O-N 3.14Å; S411-C414 PolarHBondContact OG-N 3.13Å; S411-C414 PolarHBondContact OG-SG 2.81Å; C414-A417 PolarHBondContact O-N 3.34Å; C414-A418 VanDerWaalsContact O-CB 3.29Å; C414-A418 WeakPolarHBondContact O-CB 3.33Å; C414-A418 PolarHBondContact O-N 2.84Å; C414-L1026 HydrophobicContact CB-CD2 3.59Å; C414-L1026 WeakPolarHBondContact O-CD2 3.31Å
415	I	93.9	Very high	87.7	Confident	94 Å²	94	59.3 Å²	59.3	48%	0.482	32%	0.32	S	S	.	.	H	α-helix	trans	-66.3	-42.3	175.1	-64	167.4	0	0	0	110.5	S411 P412 A418 G419 P1027	S411-I415 WeakPolarHBondContact O-CG1 3.24Å; S411-I415 PolarHBondContact O-N 3.46Å; P412-I415 PolarHBondContact O-N 3.17Å; I415-A418 PolarHBondContact O-N 2.89Å; I415-G419 PolarHBondContact O-N 2.95Å; I415-P1027 HydrophobicContact CG1-CG 4.11Å
416	E	94.2	Very high	90	Very high	98 Å²	98	52.4 Å²	52.4	46%	0.458	29%	0.288	S	S	.	.	H	α-helix	trans	-59.4	-48.4	174.5	-172.7	-163.4	150.3	0	0	111	P412 E413 G419 S420 K910 Y918	P412-E416 WeakPolarHBondContact O-CB 3.31Å; P412-E416 PolarHBondContact O-N 3.34Å; E413-E416 PolarHBondContact O-N 3.14Å; E416-G419 PolarHBondContact O-N 3.33Å; E416-S420 VanDerWaalsContact O-CB 3.32Å; E416-S420 WeakPolarHBondContact O-CB 3.41Å; E416-S420 PolarHBondContact O-N 3.41Å; E416-K910 IonicContact OE1-NZ 3.41Å; E416-K910 PolarHBondContact OE1-NZ 3.45Å; E416-K910 IonicContact OE2-NZ 3.87Å; E416-K910 PolarHBondContact OE2-NZ 3.44Å; E416-Y918 PolarHBondContact OE2-OH 3.03Å
417	A	93.1	Very high	91.8	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.6	-45.1	178.1	0	0	0	0	0	111.9	E413 C414 G419 S420 I421 W914 Y918 L922 L1026	E413-A417 WeakPolarHBondContact O-CB 3.49Å; E413-A417 PolarHBondContact O-N 3.18Å; C414-A417 PolarHBondContact O-N 3.34Å; A417-G419 PolarHBondContact O-N 3.17Å; A417-S420 PolarHBondContact O-N 3.37Å; A417-I421 WeakPolarHBondContact O-CB 3.39Å; A417-I421 WeakPolarHBondContact O-CD1 3.45Å; A417-I421 VanDerWaalsContact O-CG1 3.26Å; A417-I421 WeakPolarHBondContact O-CG1 3.05Å; A417-I421 PolarHBondContact O-N 3.07Å; A417-W914 HydrophobicContact CB-CZ3 4.13Å; A417-Y918 HydrophobicContact CB-CD1 3.9Å; A417-Y918 HydrophobicContact CB-CE1 4.18Å; A417-L922 HydrophobicContact CB-CD1 3.86Å; A417-L1026 HydrophobicContact CB-CD1 4.15Å
418	A	92.9	Very high	92.8	Very high	4 Å²	4	53 Å²	53	3%	0.033	30%	0.295	C	S	.	.	H	α-helix	trans	-59.8	-48.2	177.7	0	0	0	0	0	111.8	C414 I415 S420 I421 L422 L1026 P1027 L1029	C414-A418 VanDerWaalsContact O-CB 3.29Å; C414-A418 WeakPolarHBondContact O-CB 3.33Å; C414-A418 PolarHBondContact O-N 2.84Å; I415-A418 PolarHBondContact O-N 2.89Å; A418-S420 PolarHBondContact O-N 3.23Å; A418-I421 PolarHBondContact O-N 3.45Å; A418-L422 WeakPolarHBondContact O-CB 3.48Å; A418-L422 VanDerWaalsContact O-CG 3.3Å; A418-L422 WeakPolarHBondContact O-CG 3.28Å; A418-L422 PolarHBondContact O-N 2.61Å; A418-L1026 HydrophobicContact CB-CB 4.2Å; A418-P1027 HydrophobicContact CB-CG 4.34Å; A418-P1027 VanDerWaalsContact CB-O 3.27Å; A418-P1027 WeakPolarHBondContact CB-O 3.46Å; A418-L1029 HydrophobicContact CB-CD1 4.03Å
419	G	92.5	Very high	93.3	Very high	40 Å²	40	50.5 Å²	50.5	41%	0.412	29%	0.287	S	S	.	.	H	α-helix	trans	-61.6	-42.7	176.7	0	0	0	0	0	112.8	I415 E416 A417 I421 L422 S423	I415-G419 PolarHBondContact O-N 2.95Å; E416-G419 PolarHBondContact O-N 3.33Å; A417-G419 PolarHBondContact O-N 3.17Å; G419-I421 VanDerWaalsContact C-N 3.32Å; G419-I421 PolarHBondContact O-N 2.81Å; G419-L422 PolarHBondContact O-N 3.3Å; G419-S423 PolarHBondContact O-N 2.85Å; G419-S423 VanDerWaalsContact O-N 3.16Å
420	S	91.1	Very high	93.7	Very high	35 Å²	35	53.1 Å²	53.1	25%	0.245	30%	0.299	C	S	.	.	H	α-helix	trans	-64.4	-34.6	177.1	-176.9	0	0	0	0	112.9	E416 A417 A418 S423 K424	E416-S420 VanDerWaalsContact O-CB 3.32Å; E416-S420 WeakPolarHBondContact O-CB 3.41Å; E416-S420 PolarHBondContact O-N 3.41Å; A417-S420 PolarHBondContact O-N 3.37Å; A418-S420 PolarHBondContact O-N 3.23Å; S420-S423 PolarHBondContact O-OG 3Å; S420-K424 WeakPolarHBondContact O-CG 3.43Å; S420-K424 PolarHBondContact O-NZ 3.32Å; S420-K424 PolarHBondContact OG-NZ 3.28Å
421	I	94	Very high	94	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.015	28%	0.276	C	S	.	.	H	α-helix	trans	-74	-49.4	176.5	-71.4	164.7	0	0	0	109.9	A417 A418 G419 S423 K424 L425 L922 L1026 L1029 L1036 L1039	A417-I421 WeakPolarHBondContact O-CB 3.39Å; A417-I421 WeakPolarHBondContact O-CD1 3.45Å; A417-I421 VanDerWaalsContact O-CG1 3.26Å; A417-I421 WeakPolarHBondContact O-CG1 3.05Å; A417-I421 PolarHBondContact O-N 3.07Å; A418-I421 PolarHBondContact O-N 3.45Å; G419-I421 VanDerWaalsContact C-N 3.32Å; G419-I421 PolarHBondContact O-N 2.81Å; I421-S423 VanDerWaalsContact C-N 3.25Å; I421-S423 PolarHBondContact O-N 3.18Å; I421-K424 PolarHBondContact O-N 2.9Å; I421-L425 HydrophobicContact CG2-CD1 4.21Å; I421-L425 HydrophobicContact CG2-CG 4.4Å; I421-L425 PolarHBondContact O-N 2.53Å; I421-L922 HydrophobicContact CD1-CD1 4.4Å; I421-L922 HydrophobicContact CD1-CD2 3.77Å; I421-L1026 HydrophobicContact CD1-CD1 3.85Å; I421-L1029 HydrophobicContact CB-CD1 4.02Å; I421-L1029 HydrophobicContact CD1-CD1 4.15Å; I421-L1029 HydrophobicContact CG2-CD1 3.79Å; I421-L1029 HydrophobicContact CG2-CD2 3.78Å; I421-L1029 HydrophobicContact CG2-CG 4.48Å; I421-L1036 HydrophobicContact CD1-CD2 4.18Å; I421-L1039 HydrophobicContact CG2-CD1 4.23Å
422	L	92.9	Very high	94.2	Very high	66 Å²	66	46.9 Å²	46.9	35%	0.346	27%	0.266	S	S	.	.	H	α-helix	trans	-55.8	-37.7	-178.7	-78.1	170	0	0	0	113.1	A418 G419 K424 R427 L1029	A418-L422 WeakPolarHBondContact O-CB 3.48Å; A418-L422 VanDerWaalsContact O-CG 3.3Å; A418-L422 WeakPolarHBondContact O-CG 3.28Å; A418-L422 PolarHBondContact O-N 2.61Å; G419-L422 PolarHBondContact O-N 3.3Å; L422-K424 PolarHBondContact O-N 3.36Å; L422-R427 VanDerWaalsContact CD2-NH2 3.26Å; L422-L1029 HydrophobicContact CD2-CD2 3.45Å; L422-L1029 VanDerWaalsContact CD2-CD2 3.45Å; L422-L1029 HydrophobicContact CD2-CG 4.22Å; L422-L1029 HydrophobicContact CG-CD2 3.67Å; L422-L1029 HydrophobicContact CG-CG 4.1Å
423	S	92.4	Very high	94.4	Very high	53 Å²	53	46.6 Å²	46.6	37%	0.371	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-19.4	179.4	65.9	0	0	0	0	114.2	G419 S420 I421	G419-S423 PolarHBondContact O-N 2.85Å; G419-S423 VanDerWaalsContact O-N 3.16Å; S420-S423 PolarHBondContact O-OG 3Å; I421-S423 VanDerWaalsContact C-N 3.25Å; I421-S423 PolarHBondContact O-N 3.18Å
424	K	94.8	Very high	94.5	Very high	18 Å²	18	44.9 Å²	44.9	8%	0.078	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-26.3	-178.6	-59.7	-174.6	-178.6	66.3	0	113.1	S420 I421 L422 S439 C440 G441 G442 W443 H1043	S420-K424 WeakPolarHBondContact O-CG 3.43Å; S420-K424 PolarHBondContact O-NZ 3.32Å; S420-K424 PolarHBondContact OG-NZ 3.28Å; I421-K424 PolarHBondContact O-N 2.9Å; L422-K424 PolarHBondContact O-N 3.36Å; K424-S439 CarbonylContact C-O 3.56Å; K424-S439 VanDerWaalsContact O-O 3.06Å; K424-C440 CarbonylContact O-C 3.59Å; K424-G441 PolarHBondContact O-N 3.47Å; K424-G442 VanDerWaalsContact O-CA 3.27Å; K424-G442 WeakPolarHBondContact O-CA 3.45Å; K424-G442 PolarHBondContact O-N 3.39Å; K424-W443 HydrophobicContact CB-CB 4.09Å; K424-W443 HydrophobicContact CD-CB 4.5Å; K424-W443 HydrophobicContact CG-CB 3.95Å; K424-W443 HydrophobicContact CG-CG 4.35Å; K424-W443 PolarHBondContact O-N 3.5Å; K424-H1043 HydrophobicContact CD-CB 4.46Å
425	L	95.4	Very high	94.8	Very high	16 Å²	16	44.8 Å²	44.8	8%	0.084	25%	0.251	C	S	.	.			trans	-67.9	140.2	-175.4	-64.8	179.6	0	0	0	112.4	I421 F438 L1029 L1039	I421-L425 HydrophobicContact CG2-CD1 4.21Å; I421-L425 HydrophobicContact CG2-CG 4.4Å; I421-L425 PolarHBondContact O-N 2.53Å; L425-F438 CarbonylContact C-O 3.52Å; L425-F438 WeakPolarHBondContact CA-O 3.28Å; L425-F438 HydrophobicContact CD2-CE1 4.2Å; L425-F438 HydrophobicContact CD2-CZ 4.38Å; L425-L1029 HydrophobicContact CD1-CD2 4.08Å; L425-L1039 HydrophobicContact CD2-CD1 4.05Å; L425-L1039 HydrophobicContact CD2-CD2 3.64Å
426	D	96.6	Very high	95	Very high	18 Å²	18	40.9 Å²	40.9	10%	0.096	23%	0.23	C	C	.	.			trans	-111.2	92.8	162.8	-170.8	-8.3	0	0	0	109.8	S428 V429 T437 F438 K445	D426-S428 PolarHBondContact O-N 2.71Å; D426-S428 VanDerWaalsContact O-N 3.11Å; D426-S428 WeakPolarHBondContact OD1-CB 3.41Å; D426-S428 PolarHBondContact OD1-N 3.18Å; D426-S428 VanDerWaalsContact OD1-N 3.1Å; D426-S428 PolarHBondContact OD1-OG 3.42Å; D426-V429 PolarHBondContact O-N 3.22Å; D426-T437 WeakPolarHBondContact CB-O 3.48Å; D426-F438 PolarHBondContact N-O 3.47Å; D426-K445 IonicContact OD1-NZ 3.37Å; D426-K445 WeakPolarHBondContact OD2-CE 3.36Å; D426-K445 IonicContact OD2-NZ 2.69Å; D426-K445 PolarHBondContact OD2-NZ 2.81Å
427	R	93.1	Very high	95.2	Very high	137 Å²	137	38.1 Å²	38.1	52%	0.517	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-3.2	-179	-62.9	-172.8	179.9	-143.2	7.4	114.1	L422 V429	L422-R427 VanDerWaalsContact CD2-NH2 3.26Å; R427-V429 VanDerWaalsContact C-N 3.25Å
428	S	95.2	Very high	95.4	Very high	97 Å²	97	39 Å²	39	68%	0.678	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-10.4	174	71.3	0	0	0	0	113.3	D426	D426-S428 PolarHBondContact O-N 2.71Å; D426-S428 VanDerWaalsContact O-N 3.11Å; D426-S428 WeakPolarHBondContact OD1-CB 3.41Å; D426-S428 PolarHBondContact OD1-N 3.18Å; D426-S428 VanDerWaalsContact OD1-N 3.1Å; D426-S428 PolarHBondContact OD1-OG 3.42Å
429	V	97.2	Very high	95.6	Very high	35 Å²	35	38.8 Å²	38.8	21%	0.212	22%	0.222	C	C	.	.	S	Bend	trans	-107.8	135.2	-179.8	-179.3	0	0	0	0	109.9	D426 R427 D434 T437 F438	D426-V429 PolarHBondContact O-N 3.22Å; R427-V429 VanDerWaalsContact C-N 3.25Å; V429-D434 HydrophobicContact CG1-CB 4.1Å; V429-T437 HydrophobicContact CG2-CG2 3.81Å; V429-F438 HydrophobicContact CB-CB 4.38Å; V429-F438 HydrophobicContact CG1-CB 4.4Å; V429-F438 VanDerWaalsContact O-CD2 3.25Å; V429-F438 WeakPolarHBondContact O-CD2 3.44Å
430	D	96.2	Very high	95.9	Very high	82 Å²	82	36.9 Å²	36.9	44%	0.439	20%	0.203	S	C	.	.			trans	-69.9	125.2	173.8	-171.1	-32.4	0	0	0	109.9	C432 D433 D434	D430-C432 PolarHBondContact O-N 2.91Å; D430-C432 VanDerWaalsContact O-N 3.11Å; D430-C432 WeakPolarHBondContact OD1-CB 3.21Å; D430-C432 PolarHBondContact OD1-N 3.47Å; D430-D433 HydrophobicContact CB-CB 4.2Å; D430-D433 PolarHBondContact O-N 3.05Å; D430-D434 PolarHBondContact O-N 3.26Å
431	P	96.8	Very high	96.1	Very high	24 Å²	24	35.4 Å²	35.4	16%	0.156	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.3	176.1	23.4	-34.6	0	0	0	114	F435 F438 F1084	P431-F435 HydrophobicContact CB-CD2 3.64Å; P431-F435 HydrophobicContact CB-CE2 3.96Å; P431-F435 WeakPolarHBondContact O-CB 3.35Å; P431-F435 WeakPolarHBondContact O-CD2 3.34Å; P431-F438 HydrophobicContact CB-CB 4.49Å; P431-F438 HydrophobicContact CB-CD1 3.75Å; P431-F438 HydrophobicContact CB-CD2 4.41Å; P431-F438 HydrophobicContact CB-CE1 3.99Å; P431-F438 HydrophobicContact CB-CG 3.96Å; P431-F438 HydrophobicContact CB-CZ 4.42Å; P431-F1084 HydrophobicContact CB-CD1 3.78Å; P431-F1084 HydrophobicContact CB-CE1 4.24Å; P431-F1084 HydrophobicContact CB-CG 4.39Å; P431-F1084 HydrophobicContact CG-CD1 3.89Å
432	C	97.4	Very high	96.2	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.034	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-10.8	179.6	-64.1	0	0	0	0	114.1	D430 C1086 S1090 V1091 M1092	D430-C432 PolarHBondContact O-N 2.91Å; D430-C432 VanDerWaalsContact O-N 3.11Å; D430-C432 WeakPolarHBondContact OD1-CB 3.21Å; D430-C432 PolarHBondContact OD1-N 3.47Å; C432-C1086 WeakPolarHBondContact CA-SG 3.47Å; C432-C1086 HydrophobicContact CB-CB 3.66Å; C432-C1086 WeakPolarHBondContact CB-SG 3.37Å; C432-C1086 WeakPolarHBondContact SG-CA 3.05Å; C432-C1086 WeakPolarHBondContact SG-CB 3.29Å; C432-C1086 CovalentContact SG-SG 2.05Å; C432-C1086 PolarHBondContact SG-SG 3.42Å; C432-S1090 WeakPolarHBondContact O-CB 3.15Å; C432-S1090 PolarHBondContact O-OG 3.44Å; C432-V1091 PolarHBondContact O-N 3.17Å; C432-M1092 VanDerWaalsContact O-CB 3.25Å; C432-M1092 WeakPolarHBondContact O-CB 3.13Å; C432-M1092 VanDerWaalsContact O-CG 3.29Å; C432-M1092 WeakPolarHBondContact O-CG 3.41Å; C432-M1092 PolarHBondContact O-N 3.45Å
433	D	96.5	Very high	96.3	Very high	88 Å²	88	33.4 Å²	33.4	47%	0.471	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-50.5	175.8	-72.9	-17.9	0	0	0	112.1	D430 V1091	D430-D433 HydrophobicContact CB-CB 4.2Å; D430-D433 PolarHBondContact O-N 3.05Å; D433-V1091 WeakPolarHBondContact O-CB 3.46Å
434	D	97.3	Very high	96.3	Very high	27 Å²	27	33.1 Å²	33.1	14%	0.144	18%	0.178	C	C	.	.			trans	-145.4	89.2	175	-173.3	-17.2	0	0	0	110.3	V429 D430 Y436 T437 F438 K1067	V429-D434 HydrophobicContact CG1-CB 4.1Å; D430-D434 PolarHBondContact O-N 3.26Å; D434-Y436 PolarHBondContact O-N 2.94Å; D434-Y436 WeakPolarHBondContact OD1-CB 3.46Å; D434-Y436 PolarHBondContact OD1-N 3.34Å; D434-Y436 VanDerWaalsContact OD1-N 3.07Å; D434-T437 PolarHBondContact O-N 2.8Å; D434-T437 PolarHBondContact OD1-N 3.22Å; D434-T437 PolarHBondContact OD1-OG1 2.64Å; D434-T437 PolarHBondContact OD2-OG1 3.33Å; D434-F438 PolarHBondContact O-N 3.3Å; D434-K1067 VanDerWaalsContact OD2-CE 3.28Å; D434-K1067 WeakPolarHBondContact OD2-CE 3.44Å; D434-K1067 IonicContact OD2-NZ 2.83Å; D434-K1067 PolarHBondContact OD2-NZ 3.44Å
435	F	98.1	Very high	96.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.7	-27.9	-179.9	-163.6	-102.1	0	0	0	113.1	P431 F438 S439 F1038 L1039 A1042 V1070 M1074 F1080 F1084 M1092	P431-F435 HydrophobicContact CB-CD2 3.64Å; P431-F435 HydrophobicContact CB-CE2 3.96Å; P431-F435 WeakPolarHBondContact O-CB 3.35Å; P431-F435 WeakPolarHBondContact O-CD2 3.34Å; F435-F438 AromaticContact CD2-CD1 3.97Å; F435-F438 HydrophobicContact CD2-CD1 3.97Å; F435-F438 AromaticContact CE2-CD1 3.8Å; F435-F438 HydrophobicContact CE2-CD1 3.8Å; F435-F438 HydrophobicContact CE2-CE1 4.05Å; F435-S439 VanDerWaalsContact O-CB 3.25Å; F435-S439 WeakPolarHBondContact O-CB 3.43Å; F435-S439 PolarHBondContact O-N 3.18Å; F435-S439 PolarHBondContact O-OG 2.94Å; F435-F1038 HydrophobicContact CE1-CB 4.44Å; F435-F1038 HydrophobicContact CZ-CB 4.17Å; F435-L1039 HydrophobicContact CE1-CD2 4.26Å; F435-L1039 HydrophobicContact CE2-CD2 4.39Å; F435-L1039 HydrophobicContact CZ-CD2 3.73Å; F435-L1039 HydrophobicContact CZ-CG 4.12Å; F435-A1042 HydrophobicContact CD1-CB 4.14Å; F435-A1042 HydrophobicContact CE1-CB 3.89Å; F435-V1070 HydrophobicContact CD1-CG1 3.97Å; F435-M1074 HydrophobicContact CB-SD 4.48Å; F435-M1074 HydrophobicContact CD1-CE 3.75Å; F435-M1074 HydrophobicContact CD1-SD 3.21Å; F435-M1074 WeakPolarHBondContact CD1-SD 3.46Å; F435-M1074 HydrophobicContact CE1-CE 3.44Å; F435-M1074 VanDerWaalsContact CE1-CE 3.44Å; F435-M1074 HydrophobicContact CE1-SD 3.58Å; F435-M1074 VanDerWaalsContact CE1-SD 3.58Å; F435-M1074 HydrophobicContact CG-SD 4.01Å; F435-M1074 HydrophobicContact CZ-CE 4.4Å; F435-F1080 HydrophobicContact CB-CE2 4.49Å; F435-F1080 HydrophobicContact CB-CZ 4.04Å; F435-F1080 HydrophobicContact CD1-CE2 4.01Å; F435-F1080 HydrophobicContact CD1-CZ 4.4Å; F435-F1080 AromaticContact CD2-CE2 3.52Å; F435-F1080 HydrophobicContact CD2-CE2 3.52Å; F435-F1080 AromaticContact CD2-CZ 3.46Å; F435-F1080 HydrophobicContact CD2-CZ 3.46Å; F435-F1080 VanDerWaalsContact CD2-CZ 3.46Å; F435-F1080 HydrophobicContact CE1-CE2 4.04Å; F435-F1080 AromaticContact CE2-CE2 3.57Å; F435-F1080 HydrophobicContact CE2-CE2 3.57Å; F435-F1080 AromaticContact CE2-CZ 3.95Å; F435-F1080 HydrophobicContact CE2-CZ 3.95Å; F435-F1080 AromaticContact CG-CE2 3.73Å; F435-F1080 HydrophobicContact CG-CE2 3.73Å; F435-F1080 AromaticContact CG-CZ 3.7Å; F435-F1080 HydrophobicContact CG-CZ 3.7Å; F435-F1080 AromaticContact CZ-CE2 3.82Å; F435-F1080 HydrophobicContact CZ-CE2 3.82Å; F435-F1084 HydrophobicContact CE2-CD1 4.2Å; F435-F1084 HydrophobicContact CE2-CD2 4.14Å; F435-F1084 AromaticContact CE2-CE1 3.71Å; F435-F1084 HydrophobicContact CE2-CE1 3.71Å; F435-F1084 AromaticContact CE2-CE2 3.64Å; F435-F1084 HydrophobicContact CE2-CE2 3.64Å; F435-F1084 HydrophobicContact CE2-CG 4.4Å; F435-F1084 AromaticContact CE2-CZ 3.4Å; F435-F1084 HydrophobicContact CE2-CZ 3.4Å; F435-F1084 HydrophobicContact CZ-CE1 4.37Å; F435-F1084 AromaticContact CZ-CE2 3.83Å; F435-F1084 HydrophobicContact CZ-CE2 3.83Å; F435-F1084 AromaticContact CZ-CZ 3.65Å; F435-F1084 HydrophobicContact CZ-CZ 3.65Å; F435-M1092 HydrophobicContact CB-CE 3.58Å; F435-M1092 HydrophobicContact CB-CG 4.36Å; F435-M1092 HydrophobicContact CB-SD 4.07Å
436	Y	98.1	Very high	96	Very high	13 Å²	13	44.9 Å²	44.9	5%	0.051	23%	0.231	C	C	.	.	H	α-helix	trans	-68.1	-46.5	177.6	-174.8	-102.1	0	0	0	110.5	D434 S439 C440 L444 R1045 N1047 P1066 K1067 V1070	D434-Y436 PolarHBondContact O-N 2.94Å; D434-Y436 WeakPolarHBondContact OD1-CB 3.46Å; D434-Y436 PolarHBondContact OD1-N 3.34Å; D434-Y436 VanDerWaalsContact OD1-N 3.07Å; Y436-S439 PolarHBondContact O-N 2.84Å; Y436-S439 PolarHBondContact O-OG 2.92Å; Y436-C440 HydrophobicContact CE1-CB 4.36Å; Y436-C440 HydrophobicContact CE2-CB 4.39Å; Y436-C440 VanDerWaalsContact O-CB 3.27Å; Y436-C440 WeakPolarHBondContact O-CB 3.49Å; Y436-C440 PolarHBondContact O-N 3.15Å; Y436-L444 HydrophobicContact CE1-CD1 3.85Å; Y436-R1045 WeakPolarHBondContact CE2-O 3.45Å; Y436-R1045 PolarHBondContact OH-O 3.09Å; Y436-R1045 VanDerWaalsContact OH-O 3.08Å; Y436-N1047 PolarHBondContact OH-N 3.03Å; Y436-N1047 PolarHBondContact OH-O 2.93Å; Y436-P1066 HydrophobicContact CE2-CB 4.4Å; Y436-K1067 HydrophobicContact CD1-CB 3.79Å; Y436-K1067 HydrophobicContact CD1-CD 4.19Å; Y436-K1067 HydrophobicContact CD1-CG 3.82Å; Y436-K1067 HydrophobicContact CD2-CB 4.35Å; Y436-K1067 HydrophobicContact CE1-CB 4Å; Y436-K1067 HydrophobicContact CG-CB 3.96Å; Y436-K1067 HydrophobicContact CG-CG 3.91Å; Y436-V1070 HydrophobicContact CD2-CB 3.94Å; Y436-V1070 HydrophobicContact CD2-CG1 4.36Å; Y436-V1070 HydrophobicContact CD2-CG2 3.82Å; Y436-V1070 HydrophobicContact CE2-CG2 4.29Å
437	T	97.4	Very high	95.7	Very high	39 Å²	39	46.2 Å²	46.2	24%	0.239	24%	0.238	C	C	.	.	H	α-helix	trans	-69.9	-39.1	178.8	-54.4	0	0	0	0	111	D426 V429 D434 S439 G441	D426-T437 WeakPolarHBondContact CB-O 3.48Å; V429-T437 HydrophobicContact CG2-CG2 3.81Å; D434-T437 PolarHBondContact O-N 2.8Å; D434-T437 PolarHBondContact OD1-N 3.22Å; D434-T437 PolarHBondContact OD1-OG1 2.64Å; D434-T437 PolarHBondContact OD2-OG1 3.33Å; T437-S439 VanDerWaalsContact C-N 3.32Å; T437-S439 PolarHBondContact O-N 2.95Å; T437-G441 WeakPolarHBondContact O-CA 3.23Å; T437-G441 PolarHBondContact O-N 3.5Å
438	F	98	Very high	95.7	Very high	19 Å²	19	45.3 Å²	45.3	8%	0.083	25%	0.248	C	C	.	.	H	α-helix	trans	-56.7	-43.1	171.4	170	-104	0	0	0	112.8	L425 D426 V429 P431 D434 F435 L1039 F1084	L425-F438 CarbonylContact C-O 3.52Å; L425-F438 WeakPolarHBondContact CA-O 3.28Å; L425-F438 HydrophobicContact CD2-CE1 4.2Å; L425-F438 HydrophobicContact CD2-CZ 4.38Å; D426-F438 PolarHBondContact N-O 3.47Å; V429-F438 HydrophobicContact CB-CB 4.38Å; V429-F438 HydrophobicContact CG1-CB 4.4Å; V429-F438 VanDerWaalsContact O-CD2 3.25Å; V429-F438 WeakPolarHBondContact O-CD2 3.44Å; P431-F438 HydrophobicContact CB-CB 4.49Å; P431-F438 HydrophobicContact CB-CD1 3.75Å; P431-F438 HydrophobicContact CB-CD2 4.41Å; P431-F438 HydrophobicContact CB-CE1 3.99Å; P431-F438 HydrophobicContact CB-CG 3.96Å; P431-F438 HydrophobicContact CB-CZ 4.42Å; D434-F438 PolarHBondContact O-N 3.3Å; F435-F438 AromaticContact CD2-CD1 3.97Å; F435-F438 HydrophobicContact CD2-CD1 3.97Å; F435-F438 AromaticContact CE2-CD1 3.8Å; F435-F438 HydrophobicContact CE2-CD1 3.8Å; F435-F438 HydrophobicContact CE2-CE1 4.05Å; F438-L1039 HydrophobicContact CD1-CD2 4.2Å; F438-L1039 HydrophobicContact CE1-CD2 3.89Å; F438-F1084 HydrophobicContact CE1-CE1 4.29Å
439	S	97.6	Very high	95.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-85.2	-35.3	-175	57.9	0	0	0	0	114.4	K424 F435 Y436 T437 A1042 H1043	K424-S439 CarbonylContact C-O 3.56Å; K424-S439 VanDerWaalsContact O-O 3.06Å; F435-S439 VanDerWaalsContact O-CB 3.25Å; F435-S439 WeakPolarHBondContact O-CB 3.43Å; F435-S439 PolarHBondContact O-N 3.18Å; F435-S439 PolarHBondContact O-OG 2.94Å; Y436-S439 PolarHBondContact O-N 2.84Å; Y436-S439 PolarHBondContact O-OG 2.92Å; T437-S439 VanDerWaalsContact C-N 3.32Å; T437-S439 PolarHBondContact O-N 2.95Å; S439-A1042 VanDerWaalsContact OG-CB 3.23Å; S439-A1042 WeakPolarHBondContact OG-CB 3.45Å; S439-H1043 PolarHBondContact O-CD2 3.02Å; S439-H1043 PolarHBondContact O-NE2 3.2Å
440	C	97.7	Very high	95.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-110.4	-12	-173.8	-67.1	0	0	0	0	114	K424 Y436 G442 W443 L444 C1046	K424-C440 CarbonylContact O-C 3.59Å; Y436-C440 HydrophobicContact CE1-CB 4.36Å; Y436-C440 HydrophobicContact CE2-CB 4.39Å; Y436-C440 VanDerWaalsContact O-CB 3.27Å; Y436-C440 WeakPolarHBondContact O-CB 3.49Å; Y436-C440 PolarHBondContact O-N 3.15Å; C440-G442 VanDerWaalsContact C-N 3.31Å; C440-G442 PolarHBondContact O-N 2.82Å; C440-W443 WeakPolarHBondContact O-CA 3.43Å; C440-W443 WeakPolarHBondContact O-CB 3.34Å; C440-W443 PolarHBondContact O-N 2.79Å; C440-L444 HydrophobicContact CB-CD1 4.08Å; C440-L444 HydrophobicContact CB-CG 4.23Å; C440-L444 WeakPolarHBondContact O-CG 3.41Å; C440-L444 PolarHBondContact O-N 3.45Å; C440-C1046 VanDerWaalsContact CA-SG 3.51Å; C440-C1046 HydrophobicContact CB-CB 3.73Å; C440-C1046 WeakPolarHBondContact CB-SG 3.31Å; C440-C1046 WeakPolarHBondContact SG-CA 3.35Å; C440-C1046 WeakPolarHBondContact SG-CB 3.38Å; C440-C1046 CovalentContact SG-SG 2.04Å; C440-C1046 PolarHBondContact SG-SG 3.04Å
441	G	96.3	Very high	95.4	Very high	4 Å²	4	43.5 Å²	43.5	4%	0.041	23%	0.228	C	C	.	.	H	α-helix	trans	-60.5	-35.6	-168.8	0	0	0	0	0	114.2	K424 T437 K445	K424-G441 PolarHBondContact O-N 3.47Å; T437-G441 WeakPolarHBondContact O-CA 3.23Å; T437-G441 PolarHBondContact O-N 3.5Å; G441-K445 WeakPolarHBondContact O-CB 3.36Å; G441-K445 WeakPolarHBondContact O-CD 3.42Å; G441-K445 WeakPolarHBondContact O-CG 3.48Å; G441-K445 PolarHBondContact O-N 3.2Å; G441-K445 VanDerWaalsContact O-N 3.15Å
442	G	95.3	Very high	95.3	Very high	11 Å²	11	43.8 Å²	43.8	11%	0.113	23%	0.228	C	C	.	.	H	α-helix	trans	-63.7	-46	171.5	0	0	0	0	0	111.6	K424 C440 L444 K445 E446	K424-G442 VanDerWaalsContact O-CA 3.27Å; K424-G442 WeakPolarHBondContact O-CA 3.45Å; K424-G442 PolarHBondContact O-N 3.39Å; C440-G442 VanDerWaalsContact C-N 3.31Å; C440-G442 PolarHBondContact O-N 2.82Å; G442-L444 PolarHBondContact O-N 3.35Å; G442-K445 PolarHBondContact O-N 3.3Å; G442-E446 WeakPolarHBondContact O-CG 3.28Å; G442-E446 PolarHBondContact O-N 3.07Å; G442-E446 VanDerWaalsContact O-N 3.11Å
443	W	94.2	Very high	95.1	Very high	15 Å²	15	45.2 Å²	45.2	6%	0.057	24%	0.238	C	C	.	.	H	α-helix	trans	-61	-46.3	177.7	-170	84.5	0	0	0	112	K424 C440 K445 E446 N447 H456 I458 C1046	K424-W443 HydrophobicContact CB-CB 4.09Å; K424-W443 HydrophobicContact CD-CB 4.5Å; K424-W443 HydrophobicContact CG-CB 3.95Å; K424-W443 HydrophobicContact CG-CG 4.35Å; K424-W443 PolarHBondContact O-N 3.5Å; C440-W443 WeakPolarHBondContact O-CA 3.43Å; C440-W443 WeakPolarHBondContact O-CB 3.34Å; C440-W443 PolarHBondContact O-N 2.79Å; W443-K445 VanDerWaalsContact C-N 3.29Å; W443-K445 PolarHBondContact O-N 3.34Å; W443-E446 PolarHBondContact O-N 2.88Å; W443-N447 HydrophobicContact CD2-CB 4.17Å; W443-N447 HydrophobicContact CE3-CB 4.35Å; W443-N447 HydrophobicContact CH2-CB 3.82Å; W443-N447 HydrophobicContact CZ2-CB 3.68Å; W443-N447 HydrophobicContact CZ3-CB 4.19Å; W443-N447 PolarHBondContact NE1-ND2 3.43Å; W443-N447 WeakPolarHBondContact O-CB 3.31Å; W443-N447 PolarHBondContact O-N 3.02Å; W443-N447 PolarHBondContact O-ND2 3.16Å; W443-H456 AromaticContact CH2-CD2 3.54Å; W443-H456 WeakPolarHBondContact CH2-O 3.5Å; W443-H456 AromaticContact CZ2-CD2 3.85Å; W443-H456 WeakPolarHBondContact CZ3-O 3.4Å; W443-I458 HydrophobicContact CZ2-CD1 4.29Å; W443-C1046 HydrophobicContact CD2-CB 4.1Å; W443-C1046 HydrophobicContact CE3-CB 3.9Å; W443-C1046 HydrophobicContact CG-CB 4.38Å
444	L	93.8	Very high	95	Very high	47 Å²	47	42.9 Å²	42.9	25%	0.246	23%	0.229	C	C	.	.	H	α-helix	trans	-64.6	-33	-179	-61.6	168.7	0	0	0	112	Y436 C440 G442 S1048	Y436-L444 HydrophobicContact CE1-CD1 3.85Å; C440-L444 HydrophobicContact CB-CD1 4.08Å; C440-L444 HydrophobicContact CB-CG 4.23Å; C440-L444 WeakPolarHBondContact O-CG 3.41Å; C440-L444 PolarHBondContact O-N 3.45Å; G442-L444 PolarHBondContact O-N 3.35Å; L444-S1048 WeakPolarHBondContact CD2-OG 3.21Å
445	K	91.3	Very high	94.9	Very high	143 Å²	143	42.6 Å²	42.6	62%	0.622	23%	0.229	S	C	*	.	H	α-helix	trans	-72.4	-37.2	176.2	-73.8	171	-167.5	174	0	112.7	D426 G441 G442 W443	D426-K445 IonicContact OD1-NZ 3.37Å; D426-K445 WeakPolarHBondContact OD2-CE 3.36Å; D426-K445 IonicContact OD2-NZ 2.69Å; D426-K445 PolarHBondContact OD2-NZ 2.81Å; G441-K445 WeakPolarHBondContact O-CB 3.36Å; G441-K445 WeakPolarHBondContact O-CD 3.42Å; G441-K445 WeakPolarHBondContact O-CG 3.48Å; G441-K445 PolarHBondContact O-N 3.2Å; G441-K445 VanDerWaalsContact O-N 3.15Å; G442-K445 PolarHBondContact O-N 3.3Å; W443-K445 VanDerWaalsContact C-N 3.29Å; W443-K445 PolarHBondContact O-N 3.34Å
446	E	91.2	Very high	94.8	Very high	139 Å²	139	43.6 Å²	43.6	65%	0.65	23%	0.233	S	C	*	.	H	α-helix	trans	-85.7	-24.8	-176.8	-68.5	-175.3	170.5	0	0	113.5	G442 W443	G442-E446 WeakPolarHBondContact O-CG 3.28Å; G442-E446 PolarHBondContact O-N 3.07Å; G442-E446 VanDerWaalsContact O-N 3.11Å; W443-E446 PolarHBondContact O-N 2.88Å
447	N	91.3	Very high	94.6	Very high	46 Å²	46	43 Å²	43	25%	0.246	23%	0.231	C	C	.	.			trans	-113.5	88.6	-172.4	-61.6	-91.1	0	0	0	111.1	W443	W443-N447 HydrophobicContact CD2-CB 4.17Å; W443-N447 HydrophobicContact CE3-CB 4.35Å; W443-N447 HydrophobicContact CH2-CB 3.82Å; W443-N447 HydrophobicContact CZ2-CB 3.68Å; W443-N447 HydrophobicContact CZ3-CB 4.19Å; W443-N447 PolarHBondContact NE1-ND2 3.43Å; W443-N447 WeakPolarHBondContact O-CB 3.31Å; W443-N447 PolarHBondContact O-N 3.02Å; W443-N447 PolarHBondContact O-ND2 3.16Å
448	T	92	Very high	94.5	Very high	117 Å²	117	41.4 Å²	41.4	72%	0.718	22%	0.221	S	C	*	.	P	Polyproline II helix	trans	-69.9	144.2	174.4	56.2	0	0	0	0	111.4	P450	T448-P450 VanDerWaalsContact O-CD 3.3Å; T448-P450 WeakPolarHBondContact O-CD 3.48Å
449	I	95.1	Very high	94.3	Very high	32 Å²	32	43.3 Å²	43.3	16%	0.164	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-62.9	121.7	176.8	-53.2	173.1	0	0	0	109.4	S453 H456 R1050	I449-S453 WeakPolarHBondContact CG2-O 3.43Å; I449-H456 HydrophobicContact CB-CB 4.32Å; I449-H456 HydrophobicContact CG1-CB 4.22Å; I449-H456 HydrophobicContact CG2-CB 4.27Å; I449-R1050 HydrophobicContact CD1-CG 3.89Å; I449-R1050 HydrophobicContact CG2-CG 4.22Å; I449-R1050 PolarHBondContact O-NH2 2.77Å
450	P	94.6	Very high	94.1	Very high	42 Å²	42	45.4 Å²	45.4	27%	0.273	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-57.2	151.6	175	-27.2	37.1	0	0	0	112.8	T448 D452 S453 R1050	T448-P450 VanDerWaalsContact O-CD 3.3Å; T448-P450 WeakPolarHBondContact O-CD 3.48Å; P450-D452 WeakPolarHBondContact CB-OD1 3.49Å; P450-D452 PolarHBondContact O-N 3.26Å; P450-S453 PolarHBondContact O-N 2.97Å; P450-S453 VanDerWaalsContact O-N 3.11Å; P450-R1050 PolarHBondContact O-NH2 3.28Å
451	E	94.6	Very high	93.9	Very high	103 Å²	103	49.5 Å²	49.5	48%	0.481	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-25.4	-178.1	-68.9	-59.2	97.5	0	0	113.2	S453 T749 T750 S751 R1050	E451-S453 VanDerWaalsContact C-N 3.3Å; E451-T749 WeakPolarHBondContact O-CG2 3.25Å; E451-T750 WeakPolarHBondContact CA-OG1 3.28Å; E451-T750 VanDerWaalsContact CB-OG1 3.3Å; E451-T750 WeakPolarHBondContact CB-OG1 3.48Å; E451-T750 PolarHBondContact O-N 2.99Å; E451-T750 PolarHBondContact O-OG1 3.02Å; E451-T750 VanDerWaalsContact O-OG1 3.09Å; E451-T750 WeakPolarHBondContact OE2-CB 3.44Å; E451-T750 PolarHBondContact OE2-OG1 3.45Å; E451-S751 WeakPolarHBondContact CB-OG 3.4Å; E451-S751 PolarHBondContact O-N 3.38Å; E451-S751 PolarHBondContact O-OG 2.87Å; E451-R1050 IonicContact OE1-CZ 2.86Å; E451-R1050 IonicContact OE1-NH1 2.85Å; E451-R1050 IonicContact OE1-NH2 3.84Å; E451-R1050 PolarHBondContact OE1-NH2 3.31Å
452	D	92.9	Very high	93.8	Very high	29 Å²	29	49.5 Å²	49.5	16%	0.155	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	4.5	177.7	65.4	-9.8	0	0	0	113.5	P450 T749 S751 P754	P450-D452 WeakPolarHBondContact CB-OD1 3.49Å; P450-D452 PolarHBondContact O-N 3.26Å; D452-T749 VanDerWaalsContact C-CG2 3.41Å; D452-T749 WeakPolarHBondContact O-CG2 3.5Å; D452-S751 WeakPolarHBondContact CA-OG 3.37Å; D452-S751 WeakPolarHBondContact CB-OG 3.46Å; D452-S751 PolarHBondContact N-OG 2.84Å; D452-S751 VanDerWaalsContact N-OG 3.09Å; D452-P754 WeakPolarHBondContact OD2-CD 3.17Å
453	S	94.5	Very high	93.8	Very high	35 Å²	35	51.3 Å²	51.3	25%	0.245	26%	0.26	C	S	.	.			trans	-125.8	144.6	-171.8	-62.4	0	0	0	0	111.7	I449 P450 E451 R1050	I449-S453 WeakPolarHBondContact CG2-O 3.43Å; P450-S453 PolarHBondContact O-N 2.97Å; P450-S453 VanDerWaalsContact O-N 3.11Å; E451-S453 VanDerWaalsContact C-N 3.3Å; S453-R1050 PolarHBondContact O-NE 3.04Å
454	S	94.5	Very high	93.8	Very high	40 Å²	40	53.8 Å²	53.8	28%	0.28	27%	0.272	S	S	.	.	S	Bend	trans	-89.7	-20.7	176.3	61.2	0	0	0	0	113.1	T747 R1050	S454-T747 WeakPolarHBondContact CB-O 3.46Å; S454-R1050 PolarHBondContact O-N 3.38Å
455	S	95.1	Very high	93.8	Very high	21 Å²	21	54.4 Å²	54.4	15%	0.147	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	160	174	60.9	0	0	0	0	109.6	S1048	S455-S1048 CarbonylContact C-O 3.07Å; S455-S1048 WeakPolarHBondContact CA-O 2.99Å; S455-S1048 WeakPolarHBondContact CB-O 3.36Å
456	H	95.1	Very high	94	Very high	20 Å²	20	47.6 Å²	47.6	9%	0.093	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	123.7	174.7	-169.3	66.6	0	0	0	109.3	W443 I449 N1047 S1048	W443-H456 AromaticContact CH2-CD2 3.54Å; W443-H456 WeakPolarHBondContact CH2-O 3.5Å; W443-H456 AromaticContact CZ2-CD2 3.85Å; W443-H456 WeakPolarHBondContact CZ3-O 3.4Å; I449-H456 HydrophobicContact CB-CB 4.32Å; I449-H456 HydrophobicContact CG1-CB 4.22Å; I449-H456 HydrophobicContact CG2-CB 4.27Å; H456-N1047 PolarHBondContact N-OD1 2.04Å; H456-N1047 WeakPolarHBondContact O-CA 3.32Å; H456-N1047 PolarHBondContact O-OD1 3.21Å; H456-S1048 PolarHBondContact N-O 3.22Å; H456-S1048 PolarHBondContact O-N 3.32Å
457	G	94.8	Very high	94.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	-179.8	-173	0	0	0	0	0	111.5	Y459 P460 W461 C1046 N1047	G457-Y459 PolarHBondContact O-N 3.45Å; G457-P460 WeakPolarHBondContact O-CD 3.48Å; G457-W461 WeakPolarHBondContact O-CB 3.24Å; G457-W461 PolarHBondContact O-N 3.05Å; G457-C1046 CarbonylContact C-O 3.32Å; G457-C1046 WeakPolarHBondContact CA-O 3.25Å; G457-N1047 WeakPolarHBondContact CA-OD1 3.38Å; G457-N1047 PolarHBondContact N-OD1 3.28Å
458	I	94.6	Very high	94.5	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.031	22%	0.216	C	C	.	.	H	α-helix	trans	-63.1	-39.9	-178.5	-62.3	-53.7	0	0	0	112.8	W443 W461 L462 P911 F912 H1043 C1046	W443-I458 HydrophobicContact CZ2-CD1 4.29Å; I458-W461 PolarHBondContact O-N 3.42Å; I458-L462 PolarHBondContact O-N 2.88Å; I458-P911 HydrophobicContact CG2-CG 3.39Å; I458-F912 HydrophobicContact CG2-CE2 3.77Å; I458-F912 HydrophobicContact CG2-CZ 3.88Å; I458-H1043 VanDerWaalsContact CG1-O 3.23Å; I458-H1043 WeakPolarHBondContact CG1-O 3.41Å; I458-C1046 HydrophobicContact CG1-CB 4.16Å; I458-C1046 PolarHBondContact N-O 3.44Å
459	Y	93.8	Very high	94.7	Very high	59 Å²	59	39.5 Å²	39.5	23%	0.231	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-57.1	173.9	-87.5	-81.2	0	0	0	112.4	G457 W461 L462 R463 V890 E907 F912 I930 V1044	G457-Y459 PolarHBondContact O-N 3.45Å; Y459-W461 PolarHBondContact O-N 3.4Å; Y459-L462 PolarHBondContact O-N 3.18Å; Y459-R463 WeakPolarHBondContact O-CB 3.49Å; Y459-R463 PolarHBondContact O-N 3.12Å; Y459-V890 HydrophobicContact CD1-CG1 4.22Å; Y459-E907 VanDerWaalsContact CE1-OE1 3.3Å; Y459-E907 WeakPolarHBondContact CE1-OE1 3.31Å; Y459-E907 PolarHBondContact OH-OE1 3.28Å; Y459-F912 HydrophobicContact CD1-CE1 4.17Å; Y459-F912 AromaticContact CD1-CZ 3.73Å; Y459-F912 HydrophobicContact CD1-CZ 3.73Å; Y459-F912 HydrophobicContact CD2-CE1 4.01Å; Y459-F912 AromaticContact CD2-CZ 3.72Å; Y459-F912 HydrophobicContact CD2-CZ 3.72Å; Y459-F912 AromaticContact CE1-CE1 3.62Å; Y459-F912 HydrophobicContact CE1-CE1 3.62Å; Y459-F912 AromaticContact CE1-CZ 3.67Å; Y459-F912 HydrophobicContact CE1-CZ 3.67Å; Y459-F912 AromaticContact CE2-CE1 3.46Å; Y459-F912 HydrophobicContact CE2-CE1 3.46Å; Y459-F912 VanDerWaalsContact CE2-CE1 3.46Å; Y459-F912 AromaticContact CE2-CZ 3.68Å; Y459-F912 HydrophobicContact CE2-CZ 3.68Å; Y459-F912 HydrophobicContact CG-CE1 4.34Å; Y459-F912 AromaticContact CG-CZ 3.74Å; Y459-F912 HydrophobicContact CG-CZ 3.74Å; Y459-F912 AromaticContact CZ-CE1 3.22Å; Y459-F912 AromaticContact CZ-CZ 3.65Å; Y459-F912 WeakPolarHBondContact OH-CE1 3.26Å; Y459-I930 WeakPolarHBondContact OH-CD1 3.47Å; Y459-V1044 WeakPolarHBondContact CD2-O 3.43Å; Y459-V1044 WeakPolarHBondContact CE2-O 3.43Å
460	P	93	Very high	94.8	Very high	44 Å²	44	38 Å²	38	29%	0.286	19%	0.187	S	C	.	.	H	α-helix	trans	-55.2	-37.8	173.5	-27.7	33.4	0	0	0	113.9	G457 R463 Q464	G457-P460 WeakPolarHBondContact O-CD 3.48Å; P460-R463 WeakPolarHBondContact O-CB 3.48Å; P460-R463 PolarHBondContact O-N 2.96Å; P460-Q464 WeakPolarHBondContact O-CB 3.44Å; P460-Q464 PolarHBondContact O-N 3.18Å
461	W	93.7	Very high	95	Very high	87 Å²	87	37 Å²	37	33%	0.33	18%	0.178	S	C	.	.	H	α-helix	trans	-63.8	-48.5	177.9	176.4	92.6	0	0	0	111.8	G457 I458 Y459 R463 Q464 H465	G457-W461 WeakPolarHBondContact O-CB 3.24Å; G457-W461 PolarHBondContact O-N 3.05Å; I458-W461 PolarHBondContact O-N 3.42Å; Y459-W461 PolarHBondContact O-N 3.4Å; W461-R463 VanDerWaalsContact C-N 3.29Å; W461-R463 PolarHBondContact O-N 3.33Å; W461-Q464 PolarHBondContact O-N 3.13Å; W461-H465 AromaticContact CD1-CE1 3.75Å; W461-H465 AromaticContact CD2-CE1 3.64Å; W461-H465 AromaticContact CD2-ND1 3.62Å; W461-H465 AromaticContact CE2-CE1 3.02Å; W461-H465 AromaticContact CE2-ND1 3.49Å; W461-H465 AromaticContact CE2-NE2 3.65Å; W461-H465 AromaticContact CH2-CE1 3.98Å; W461-H465 AromaticContact CH2-NE2 3.95Å; W461-H465 AromaticContact CZ2-CD2 3.98Å; W461-H465 AromaticContact CZ2-CE1 3.22Å; W461-H465 WeakPolarHBondContact CZ2-CE1 3.39Å; W461-H465 AromaticContact CZ2-ND1 3.78Å; W461-H465 AromaticContact CZ2-NE2 3.33Å; W461-H465 VanDerWaalsContact CZ2-NE2 3.33Å; W461-H465 WeakPolarHBondContact CZ2-NE2 3.38Å; W461-H465 AromaticContact NE1-CE1 3.14Å; W461-H465 PolarHBondContact NE1-CE1 3.01Å; W461-H465 AromaticContact NE1-ND1 3.85Å; W461-H465 AromaticContact NE1-NE2 3.98Å; W461-H465 PolarHBondContact O-N 2.64Å; W461-H465 PolarHBondContact O-ND1 2.98Å
462	L	94.4	Very high	95.1	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	18%	0.18	C	C	.	.	H	α-helix	trans	-65.2	-38.2	177.4	176.4	58.5	0	0	0	110.8	I458 Y459 Q464 H465 V466 V890 Q909 F912	I458-L462 PolarHBondContact O-N 2.88Å; Y459-L462 PolarHBondContact O-N 3.18Å; L462-Q464 VanDerWaalsContact C-N 3.34Å; L462-Q464 PolarHBondContact O-N 3Å; L462-H465 HydrophobicContact CD1-CB 4.49Å; L462-H465 WeakPolarHBondContact O-CB 3.44Å; L462-H465 PolarHBondContact O-N 3.37Å; L462-H465 VanDerWaalsContact O-N 3.11Å; L462-V466 PolarHBondContact O-N 2.77Å; L462-V890 HydrophobicContact CB-CG1 4.04Å; L462-V890 HydrophobicContact CD2-CG1 3.66Å; L462-V890 HydrophobicContact CD2-CG2 4.5Å; L462-V890 HydrophobicContact CG-CG1 3.78Å; L462-V890 HydrophobicContact CG-CG2 4.1Å; L462-Q909 HydrophobicContact CD1-CB 3.85Å; L462-Q909 HydrophobicContact CD1-CG 4.46Å; L462-Q909 HydrophobicContact CD2-CB 4.25Å; L462-F912 HydrophobicContact CB-CE2 4.15Å; L462-F912 HydrophobicContact CD2-CD2 3.37Å; L462-F912 HydrophobicContact CD2-CE2 3.59Å; L462-F912 HydrophobicContact CD2-CG 4.49Å
463	R	94.9	Very high	95.2	Very high	49 Å²	49	37 Å²	37	19%	0.185	18%	0.178	C	C	.	.	H	α-helix	trans	-56.7	-49.2	174.1	176.6	58.5	-165.9	179.8	-4.6	111.7	Y459 P460 W461 H465 V466 D467 N761 E764 T888 V890	Y459-R463 WeakPolarHBondContact O-CB 3.49Å; Y459-R463 PolarHBondContact O-N 3.12Å; P460-R463 WeakPolarHBondContact O-CB 3.48Å; P460-R463 PolarHBondContact O-N 2.96Å; W461-R463 VanDerWaalsContact C-N 3.29Å; W461-R463 PolarHBondContact O-N 3.33Å; R463-H465 VanDerWaalsContact C-N 3.27Å; R463-H465 PolarHBondContact O-N 2.69Å; R463-V466 WeakPolarHBondContact O-CB 3.45Å; R463-V466 PolarHBondContact O-N 3.26Å; R463-V466 VanDerWaalsContact O-N 3.11Å; R463-D467 IonicContact CZ-OD1 3.11Å; R463-D467 IonicContact CZ-OD2 2.91Å; R463-D467 IonicContact NE-OD1 3.3Å; R463-D467 PolarHBondContact NE-OD1 3.43Å; R463-D467 VanDerWaalsContact NE-OD1 3.16Å; R463-D467 IonicContact NE-OD2 2.66Å; R463-D467 PolarHBondContact NE-OD2 3.47Å; R463-D467 IonicContact NH1-OD1 3.16Å; R463-D467 IonicContact NH2-OD1 3.3Å; R463-D467 PolarHBondContact NH2-OD1 2.92Å; R463-D467 IonicContact NH2-OD2 2.74Å; R463-D467 VanDerWaalsContact O-CG 3.32Å; R463-D467 PolarHBondContact O-N 3.48Å; R463-N761 PolarHBondContact NH2-OD1 3.47Å; R463-E764 IonicContact CZ-OE1 3.35Å; R463-E764 IonicContact CZ-OE2 2.61Å; R463-E764 VanDerWaalsContact CZ-OE2 3.26Å; R463-E764 VanDerWaalsContact NH1-CD 3.33Å; R463-E764 IonicContact NH1-OE1 3.45Å; R463-E764 PolarHBondContact NH1-OE1 2.88Å; R463-E764 IonicContact NH1-OE2 3.2Å; R463-E764 PolarHBondContact NH1-OE2 3.25Å; R463-E764 IonicContact NH2-OE1 3.91Å; R463-E764 PolarHBondContact NH2-OE1 2.88Å; R463-E764 IonicContact NH2-OE2 3.07Å; R463-E764 PolarHBondContact NH2-OE2 3.2Å; R463-T888 PolarHBondContact NH1-O 3.26Å; R463-V890 HydrophobicContact CB-CB 4.39Å; R463-V890 HydrophobicContact CB-CG2 4.35Å
464	Q	93.7	Very high	95.3	Very high	68 Å²	68	35.4 Å²	35.4	32%	0.318	17%	0.167	S	C	.	.	H	α-helix	trans	-60.2	-36	175.7	-169.8	178.9	35.4	0	0	112.4	P460 W461 L462 D467 I468	P460-Q464 WeakPolarHBondContact O-CB 3.44Å; P460-Q464 PolarHBondContact O-N 3.18Å; W461-Q464 PolarHBondContact O-N 3.13Å; L462-Q464 VanDerWaalsContact C-N 3.34Å; L462-Q464 PolarHBondContact O-N 3Å; Q464-D467 PolarHBondContact O-N 3.46Å; Q464-I468 HydrophobicContact CG-CD1 4.19Å; Q464-I468 VanDerWaalsContact O-CG1 3.27Å; Q464-I468 WeakPolarHBondContact O-CG1 3.19Å; Q464-I468 PolarHBondContact O-N 3.32Å
465	H	94.6	Very high	95.4	Very high	60 Å²	60	36.5 Å²	36.5	28%	0.278	17%	0.167	S	C	.	.	H	α-helix	trans	-66.1	-37.8	175.7	-78.1	65.8	0	0	0	112.6	W461 L462 R463 R469	W461-H465 AromaticContact CD1-CE1 3.75Å; W461-H465 AromaticContact CD2-CE1 3.64Å; W461-H465 AromaticContact CD2-ND1 3.62Å; W461-H465 AromaticContact CE2-CE1 3.02Å; W461-H465 AromaticContact CE2-ND1 3.49Å; W461-H465 AromaticContact CE2-NE2 3.65Å; W461-H465 AromaticContact CH2-CE1 3.98Å; W461-H465 AromaticContact CH2-NE2 3.95Å; W461-H465 AromaticContact CZ2-CD2 3.98Å; W461-H465 AromaticContact CZ2-CE1 3.22Å; W461-H465 WeakPolarHBondContact CZ2-CE1 3.39Å; W461-H465 AromaticContact CZ2-ND1 3.78Å; W461-H465 AromaticContact CZ2-NE2 3.33Å; W461-H465 VanDerWaalsContact CZ2-NE2 3.33Å; W461-H465 WeakPolarHBondContact CZ2-NE2 3.38Å; W461-H465 AromaticContact NE1-CE1 3.14Å; W461-H465 PolarHBondContact NE1-CE1 3.01Å; W461-H465 AromaticContact NE1-ND1 3.85Å; W461-H465 AromaticContact NE1-NE2 3.98Å; W461-H465 PolarHBondContact O-N 2.64Å; W461-H465 PolarHBondContact O-ND1 2.98Å; L462-H465 HydrophobicContact CD1-CB 4.49Å; L462-H465 WeakPolarHBondContact O-CB 3.44Å; L462-H465 PolarHBondContact O-N 3.37Å; L462-H465 VanDerWaalsContact O-N 3.11Å; R463-H465 VanDerWaalsContact C-N 3.27Å; R463-H465 PolarHBondContact O-N 2.69Å; H465-R469 WeakPolarHBondContact O-CG 3.4Å; H465-R469 PolarHBondContact O-N 3.45Å
466	V	95.9	Very high	95.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.2	-44.6	171.4	172.8	0	0	0	0	110.4	L462 R463 I468 R469 L470 F775 V890	L462-V466 PolarHBondContact O-N 2.77Å; R463-V466 WeakPolarHBondContact O-CB 3.45Å; R463-V466 PolarHBondContact O-N 3.26Å; R463-V466 VanDerWaalsContact O-N 3.11Å; V466-I468 VanDerWaalsContact C-N 3.34Å; V466-I468 PolarHBondContact O-N 3.37Å; V466-R469 PolarHBondContact O-N 2.75Å; V466-R469 VanDerWaalsContact O-N 3.14Å; V466-L470 HydrophobicContact CG1-CD1 4.2Å; V466-L470 HydrophobicContact CG1-CG 4.49Å; V466-L470 PolarHBondContact O-N 2.75Å; V466-F775 HydrophobicContact CB-CE2 4.46Å; V466-F775 HydrophobicContact CG1-CD2 4.31Å; V466-F775 HydrophobicContact CG1-CE2 3.85Å; V466-F775 HydrophobicContact CG1-CZ 4.33Å; V466-F775 HydrophobicContact CG2-CE2 4.33Å; V466-F775 HydrophobicContact CG2-CZ 4.24Å; V466-V890 HydrophobicContact CB-CG2 4.38Å; V466-V890 HydrophobicContact CG2-CG2 3.76Å
467	D	96	Very high	95.1	Very high	5 Å²	5	42.1 Å²	42.1	3%	0.027	21%	0.206	C	C	.	.	H	α-helix	trans	-63.9	-38.1	-179.2	-65.5	-19.3	0	0	0	111.9	R463 Q464 L470 K471 W756 V760 N761	R463-D467 IonicContact CZ-OD1 3.11Å; R463-D467 IonicContact CZ-OD2 2.91Å; R463-D467 IonicContact NE-OD1 3.3Å; R463-D467 PolarHBondContact NE-OD1 3.43Å; R463-D467 VanDerWaalsContact NE-OD1 3.16Å; R463-D467 IonicContact NE-OD2 2.66Å; R463-D467 PolarHBondContact NE-OD2 3.47Å; R463-D467 IonicContact NH1-OD1 3.16Å; R463-D467 IonicContact NH2-OD1 3.3Å; R463-D467 PolarHBondContact NH2-OD1 2.92Å; R463-D467 IonicContact NH2-OD2 2.74Å; R463-D467 VanDerWaalsContact O-CG 3.32Å; R463-D467 PolarHBondContact O-N 3.48Å; Q464-D467 PolarHBondContact O-N 3.46Å; D467-L470 PolarHBondContact O-N 2.89Å; D467-K471 WeakPolarHBondContact O-CB 3.33Å; D467-K471 PolarHBondContact O-N 3.45Å; D467-W756 HydrophobicContact CB-CZ3 4.34Å; D467-V760 HydrophobicContact CB-CG1 4.08Å; D467-N761 PolarHBondContact OD2-ND2 3.07Å
468	I	96.7	Very high	94.7	Very high	53 Å²	53	44.7 Å²	44.7	27%	0.272	22%	0.224	S	C	.	.	H	α-helix	trans	-63.1	-41.9	173.6	-70.9	165.2	0	0	0	111.3	Q464 V466 K471 E472 W756	Q464-I468 HydrophobicContact CG-CD1 4.19Å; Q464-I468 VanDerWaalsContact O-CG1 3.27Å; Q464-I468 WeakPolarHBondContact O-CG1 3.19Å; Q464-I468 PolarHBondContact O-N 3.32Å; V466-I468 VanDerWaalsContact C-N 3.34Å; V466-I468 PolarHBondContact O-N 3.37Å; I468-K471 VanDerWaalsContact O-CB 3.31Å; I468-K471 WeakPolarHBondContact O-CB 3.48Å; I468-K471 PolarHBondContact O-N 3.35Å; I468-E472 WeakPolarHBondContact O-CG 3.4Å; I468-E472 PolarHBondContact O-N 3.4Å; I468-W756 HydrophobicContact CG1-CH2 3.72Å; I468-W756 HydrophobicContact CG1-CZ2 4.42Å; I468-W756 HydrophobicContact CG1-CZ3 4.33Å
469	R	96.6	Very high	94.2	Very high	73 Å²	73	49.3 Å²	49.3	28%	0.275	25%	0.249	S	C	.	.	H	α-helix	trans	-66.6	-43.1	176.8	-71.1	176.6	-170.8	169.9	14.3	111.5	H465 V466 K471 E472 L473 F775 Q909	H465-R469 WeakPolarHBondContact O-CG 3.4Å; H465-R469 PolarHBondContact O-N 3.45Å; V466-R469 PolarHBondContact O-N 2.75Å; V466-R469 VanDerWaalsContact O-N 3.14Å; R469-K471 VanDerWaalsContact C-N 3.29Å; R469-K471 PolarHBondContact O-N 2.91Å; R469-E472 PolarHBondContact O-N 3.31Å; R469-L473 WeakPolarHBondContact O-CG 3.42Å; R469-L473 PolarHBondContact O-N 2.85Å; R469-F775 HydrophobicContact CB-CE2 4.37Å; R469-Q909 VanDerWaalsContact NH2-OE1 3.13Å
470	L	97.1	Very high	93.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61	-39.7	173.7	-77.8	176.9	0	0	0	111.9	V466 D467 E472 L473 L474 V760 E764 F775 T888	V466-L470 HydrophobicContact CG1-CD1 4.2Å; V466-L470 HydrophobicContact CG1-CG 4.49Å; V466-L470 PolarHBondContact O-N 2.75Å; D467-L470 PolarHBondContact O-N 2.89Å; L470-E472 PolarHBondContact O-N 3.38Å; L470-L473 PolarHBondContact O-N 3.5Å; L470-L474 WeakPolarHBondContact O-CB 3.45Å; L470-L474 VanDerWaalsContact O-CG 3.25Å; L470-L474 WeakPolarHBondContact O-CG 3.36Å; L470-L474 PolarHBondContact O-N 2.67Å; L470-V760 HydrophobicContact CB-CG1 3.69Å; L470-V760 HydrophobicContact CD1-CG1 4.11Å; L470-E764 HydrophobicContact CD1-CB 4.35Å; L470-E764 HydrophobicContact CD1-CG 4.23Å; L470-E764 VanDerWaalsContact CD1-OE2 3.28Å; L470-E764 WeakPolarHBondContact CD1-OE2 3.48Å; L470-F775 HydrophobicContact CD2-CB 4.05Å; L470-F775 HydrophobicContact CD2-CD2 4.26Å; L470-F775 HydrophobicContact CG-CD2 4.34Å; L470-T888 HydrophobicContact CD1-CG2 4.09Å; L470-T888 HydrophobicContact CD2-CG2 4.17Å; L470-T888 HydrophobicContact CG-CG2 4.45Å
471	K	97.6	Very high	93.2	Very high	22 Å²	22	58.8 Å²	58.8	10%	0.096	31%	0.307	C	S	.	.	H	α-helix	trans	-56.2	-50.4	172.6	-174.3	-157.8	179.3	178	0	111.2	D467 I468 R469 L473 L474 E475 W756 V760	D467-K471 WeakPolarHBondContact O-CB 3.33Å; D467-K471 PolarHBondContact O-N 3.45Å; I468-K471 VanDerWaalsContact O-CB 3.31Å; I468-K471 WeakPolarHBondContact O-CB 3.48Å; I468-K471 PolarHBondContact O-N 3.35Å; R469-K471 VanDerWaalsContact C-N 3.29Å; R469-K471 PolarHBondContact O-N 2.91Å; K471-L473 VanDerWaalsContact C-N 3.29Å; K471-L473 PolarHBondContact O-N 3.3Å; K471-L474 PolarHBondContact O-N 2.99Å; K471-E475 WeakPolarHBondContact CE-OE1 3.24Å; K471-E475 HydrophobicContact CG-CG 4.44Å; K471-E475 WeakPolarHBondContact O-CB 3.46Å; K471-E475 WeakPolarHBondContact O-CG 3.44Å; K471-E475 PolarHBondContact O-N 3.05Å; K471-W756 HydrophobicContact CB-CE3 3.9Å; K471-W756 HydrophobicContact CB-CZ3 4.19Å; K471-W756 HydrophobicContact CD-CB 4.35Å; K471-W756 HydrophobicContact CD-CD2 3.65Å; K471-W756 HydrophobicContact CD-CE3 3.53Å; K471-W756 HydrophobicContact CD-CG 4.01Å; K471-W756 HydrophobicContact CD-CZ3 4.15Å; K471-W756 HydrophobicContact CG-CB 4.46Å; K471-W756 HydrophobicContact CG-CD2 4.26Å; K471-W756 HydrophobicContact CG-CE3 3.79Å; K471-V760 HydrophobicContact CB-CG2 3.81Å; K471-V760 HydrophobicContact CG-CG2 4.38Å
472	E	96.9	Very high	93	Very high	112 Å²	112	56.7 Å²	56.7	52%	0.523	30%	0.301	S	S	.	.	H	α-helix	trans	-58	-42.2	178.3	-71.2	178	178.4	0	0	111.7	I468 R469 L470 S476	I468-E472 WeakPolarHBondContact O-CG 3.4Å; I468-E472 PolarHBondContact O-N 3.4Å; R469-E472 PolarHBondContact O-N 3.31Å; L470-E472 PolarHBondContact O-N 3.38Å; E472-S476 PolarHBondContact O-N 2.9Å; E472-S476 VanDerWaalsContact O-N 3.12Å
473	L	96.1	Very high	92.8	Very high	21 Å²	21	58.1 Å²	58.1	11%	0.11	31%	0.308	C	S	.	.	H	α-helix	trans	-68.2	-41.3	177.6	-64.2	175.6	0	0	0	112.7	R469 L470 K471 S476 K490 L774 K778	R469-L473 WeakPolarHBondContact O-CG 3.42Å; R469-L473 PolarHBondContact O-N 2.85Å; L470-L473 PolarHBondContact O-N 3.5Å; K471-L473 VanDerWaalsContact C-N 3.29Å; K471-L473 PolarHBondContact O-N 3.3Å; L473-S476 WeakPolarHBondContact O-CB 3.44Å; L473-S476 PolarHBondContact O-N 2.94Å; L473-S476 PolarHBondContact O-OG 3.33Å; L473-K490 VanDerWaalsContact O-CE 3.25Å; L473-K490 WeakPolarHBondContact O-CE 3.3Å; L473-L774 HydrophobicContact CD1-CB 4.42Å; L473-K778 HydrophobicContact CD1-CB 4.42Å; L473-K778 HydrophobicContact CD2-CB 4.13Å; L473-K778 HydrophobicContact CD2-CG 3.76Å
474	L	96.9	Very high	92.6	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-72.9	-31.2	179.4	-70.5	168.1	0	0	0	112.7	L470 K471 S476 A489 K490 Y493 V760 V763 L774	L470-L474 WeakPolarHBondContact O-CB 3.45Å; L470-L474 VanDerWaalsContact O-CG 3.25Å; L470-L474 WeakPolarHBondContact O-CG 3.36Å; L470-L474 PolarHBondContact O-N 2.67Å; K471-L474 PolarHBondContact O-N 2.99Å; L474-S476 VanDerWaalsContact C-N 3.33Å; L474-A489 HydrophobicContact CD2-CB 4.06Å; L474-K490 HydrophobicContact CD2-CG 4.35Å; L474-Y493 HydrophobicContact CB-CD1 4.01Å; L474-Y493 HydrophobicContact CB-CD2 4.29Å; L474-Y493 HydrophobicContact CB-CE1 4.44Å; L474-Y493 HydrophobicContact CB-CG 3.92Å; L474-Y493 HydrophobicContact CD1-CD2 4.02Å; L474-Y493 HydrophobicContact CD1-CG 4.27Å; L474-V760 HydrophobicContact CD1-CG2 4.2Å; L474-V763 HydrophobicContact CD1-CB 4.44Å; L474-V763 HydrophobicContact CD1-CG1 4.3Å; L474-V763 HydrophobicContact CD2-CG1 4.17Å; L474-L774 HydrophobicContact CD2-CD1 4.14Å
475	E	96	Very high	92.6	Very high	63 Å²	63	57.4 Å²	57.4	29%	0.294	31%	0.307	S	S	.	.	H	α-helix	trans	-78.9	-15.8	173.9	-76	-174.9	-169.3	0	0	113.3	R111 K471 Y493	R111-E475 IonicContact CZ-OE2 3.98Å; R111-E475 IonicContact NE-OE2 3.92Å; R111-E475 IonicContact NH2-OE2 3.5Å; R111-E475 PolarHBondContact NH2-OE2 3.29Å; K471-E475 WeakPolarHBondContact CE-OE1 3.24Å; K471-E475 HydrophobicContact CG-CG 4.44Å; K471-E475 WeakPolarHBondContact O-CB 3.46Å; K471-E475 WeakPolarHBondContact O-CG 3.44Å; K471-E475 PolarHBondContact O-N 3.05Å; E475-Y493 HydrophobicContact CG-CE1 3.55Å; E475-Y493 PolarHBondContact OE1-OH 3.4Å
476	S	93.6	Very high	92.5	Very high	41 Å²	41	54.9 Å²	54.9	29%	0.287	30%	0.296	S	S	.	.	S	Bend	trans	-60.9	143.6	179.7	72	0	0	0	0	111.6	E472 L473 L474 S478 K490	E472-S476 PolarHBondContact O-N 2.9Å; E472-S476 VanDerWaalsContact O-N 3.12Å; L473-S476 WeakPolarHBondContact O-CB 3.44Å; L473-S476 PolarHBondContact O-N 2.94Å; L473-S476 PolarHBondContact O-OG 3.33Å; L474-S476 VanDerWaalsContact C-N 3.33Å; S476-S478 PolarHBondContact O-N 2.87Å; S476-K490 WeakPolarHBondContact O-CE 3.44Å; S476-K490 PolarHBondContact O-NZ 2.95Å; S476-K490 WeakPolarHBondContact OG-CE 3.5Å; S476-K490 PolarHBondContact OG-NZ 3.38Å
477	P	89.9	Confident	92.3	Very high	117 Å²	117	56.8 Å²	56.8	76%	0.76	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-52.5	143.6	174.5	-25	34.1	0	0	0	111.3	K490	P477-K490 PolarHBondContact O-NZ 2.89Å; P477-K490 VanDerWaalsContact O-NZ 3.13Å
478	S	86.7	Confident	92.3	Very high	54 Å²	54	57.4 Å²	57.4	38%	0.378	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-73.4	134.9	174.3	-69.8	0	0	0	0	110.2	S476 E482 R494	S476-S478 PolarHBondContact O-N 2.87Å; S478-E482 WeakPolarHBondContact CA-OE2 3.1Å; S478-E482 VanDerWaalsContact CB-OE2 3.29Å; S478-E482 WeakPolarHBondContact CB-OE2 3.34Å; S478-E482 PolarHBondContact OG-OE2 3.48Å; S478-E482 VanDerWaalsContact OG-OE2 3.08Å; S478-R494 PolarHBondContact OG-NH2 3.18Å
479	D	84.4	Confident	92.2	Very high	103 Å²	103	54.9 Å²	54.9	55%	0.551	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-88.3	146.1	173.1	-170.7	-25.6	0	0	0	109.3	K481 E482	D479-K481 PolarHBondContact O-N 3.37Å; D479-K481 PolarHBondContact OD1-N 3.27Å; D479-E482 HydrophobicContact CB-CB 4.14Å; D479-E482 WeakPolarHBondContact O-CB 3.37Å; D479-E482 PolarHBondContact O-N 3.43Å
480	A	80.5	Confident	92.2	Very high	109 Å²	109	51.4 Å²	51.4	90%	0.901	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-22.8	173	0	0	0	0	0	112.9
481	K	85.6	Confident	92.1	Very high	194 Å²	194	53.1 Å²	53.1	84%	0.843	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	7.7	174.5	-62.8	-178.1	-179.2	179.2	0	113.5	D479	D479-K481 PolarHBondContact O-N 3.37Å; D479-K481 PolarHBondContact OD1-N 3.27Å
482	E	88.1	Confident	92.1	Very high	43 Å²	43	52 Å²	52	20%	0.201	29%	0.288	C	S	.	.			trans	-67.4	138.9	-179.2	-174.1	161	-116.7	0	0	111.2	S478 D479 V486 K490	S478-E482 WeakPolarHBondContact CA-OE2 3.1Å; S478-E482 VanDerWaalsContact CB-OE2 3.29Å; S478-E482 WeakPolarHBondContact CB-OE2 3.34Å; S478-E482 PolarHBondContact OG-OE2 3.48Å; S478-E482 VanDerWaalsContact OG-OE2 3.08Å; D479-E482 HydrophobicContact CB-CB 4.14Å; D479-E482 WeakPolarHBondContact O-CB 3.37Å; D479-E482 PolarHBondContact O-N 3.43Å; E482-V486 VanDerWaalsContact CD-CG1 3.4Å; E482-V486 HydrophobicContact CG-CB 3.81Å; E482-V486 HydrophobicContact CG-CG1 3.53Å; E482-V486 WeakPolarHBondContact OE1-CG1 3.44Å; E482-K490 VanDerWaalsContact OE1-CE 3.25Å; E482-K490 WeakPolarHBondContact OE1-CE 3.21Å; E482-K490 IonicContact OE1-NZ 3.45Å; E482-K490 PolarHBondContact OE1-NZ 3.17Å; E482-K490 WeakPolarHBondContact OE2-CD 3.5Å; E482-K490 IonicContact OE2-NZ 3.64Å; E482-K490 PolarHBondContact OE2-NZ 3.21Å
483	L	90.9	Very high	92.1	Very high	32 Å²	32	47 Å²	47	17%	0.168	27%	0.265	C	S	.	.			trans	-59.2	139.8	176.5	-175.8	64.3	0	0	0	110.5	A485 V486 T487 D838 L841 T842	L483-A485 VanDerWaalsContact C-N 3.26Å; L483-A485 HydrophobicContact CD2-CB 4Å; L483-A485 HydrophobicContact CG-CB 4.08Å; L483-A485 PolarHBondContact O-N 2.99Å; L483-V486 HydrophobicContact CB-CB 4.37Å; L483-V486 HydrophobicContact CB-CG2 4.06Å; L483-V486 WeakPolarHBondContact O-CB 3.48Å; L483-V486 PolarHBondContact O-N 2.78Å; L483-T487 PolarHBondContact O-N 3.01Å; L483-T487 PolarHBondContact O-OG1 3.35Å; L483-D838 HydrophobicContact CD1-CB 3.77Å; L483-L841 HydrophobicContact CD2-CB 3.94Å; L483-L841 HydrophobicContact CD2-CD1 3.64Å; L483-L841 HydrophobicContact CD2-CG 4.45Å; L483-T842 WeakPolarHBondContact CD1-OG1 3.42Å
484	Q	91.3	Very high	92.2	Very high	101 Å²	101	50.1 Å²	50.1	47%	0.472	28%	0.275	S	S	.	.	H	α-helix	trans	-59.1	-38.8	-178.5	-166.2	-174.3	10.6	0	0	112.1	V486 T487 K488	Q484-V486 VanDerWaalsContact C-N 3.29Å; Q484-V486 PolarHBondContact O-N 3.12Å; Q484-T487 WeakPolarHBondContact O-CB 3.48Å; Q484-T487 PolarHBondContact O-N 2.82Å; Q484-K488 WeakPolarHBondContact O-CG 3.45Å; Q484-K488 PolarHBondContact O-N 2.91Å
485	A	92.5	Very high	92.2	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-56.2	-42.4	175	0	0	0	0	0	112.6	L483 K488 A489 A770 L841 L845	L483-A485 VanDerWaalsContact C-N 3.26Å; L483-A485 HydrophobicContact CD2-CB 4Å; L483-A485 HydrophobicContact CG-CB 4.08Å; L483-A485 PolarHBondContact O-N 2.99Å; A485-K488 PolarHBondContact O-N 2.84Å; A485-A489 PolarHBondContact O-N 3.08Å; A485-A489 VanDerWaalsContact O-N 3.15Å; A485-A770 HydrophobicContact CB-CB 4.08Å; A485-L841 HydrophobicContact CB-CB 4.05Å; A485-L845 HydrophobicContact CB-CD1 3.77Å
486	V	92.3	Very high	92.3	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.042	26%	0.261	C	S	.	.	H	α-helix	trans	-68.3	-42.9	176.8	172.5	0	0	0	0	111	E482 L483 Q484 K488 A489 K490 L774	E482-V486 VanDerWaalsContact CD-CG1 3.4Å; E482-V486 HydrophobicContact CG-CB 3.81Å; E482-V486 HydrophobicContact CG-CG1 3.53Å; E482-V486 WeakPolarHBondContact OE1-CG1 3.44Å; L483-V486 HydrophobicContact CB-CB 4.37Å; L483-V486 HydrophobicContact CB-CG2 4.06Å; L483-V486 WeakPolarHBondContact O-CB 3.48Å; L483-V486 PolarHBondContact O-N 2.78Å; Q484-V486 VanDerWaalsContact C-N 3.29Å; Q484-V486 PolarHBondContact O-N 3.12Å; V486-K488 VanDerWaalsContact C-N 3.31Å; V486-K488 PolarHBondContact O-N 3.04Å; V486-A489 WeakPolarHBondContact O-CB 3.43Å; V486-A489 PolarHBondContact O-N 3.31Å; V486-A489 VanDerWaalsContact O-N 3.12Å; V486-K490 PolarHBondContact O-N 3.5Å; V486-L774 HydrophobicContact CB-CD2 4.33Å; V486-L774 HydrophobicContact CB-CG 4.4Å; V486-L774 HydrophobicContact CG1-CD1 3.93Å; V486-L774 HydrophobicContact CG1-CD2 3.4Å; V486-L774 HydrophobicContact CG1-CG 3.78Å; V486-L774 HydrophobicContact CG2-CD2 3.99Å; V486-L774 HydrophobicContact CG2-CG 3.87Å
487	T	92.9	Very high	92.4	Very high	41 Å²	41	47.3 Å²	47.3	25%	0.252	26%	0.258	S	S	.	.	H	α-helix	trans	-58.7	-43.4	175.7	-60.1	0	0	0	0	111.2	L483 Q484 A489 K490 I491	L483-T487 PolarHBondContact O-N 3.01Å; L483-T487 PolarHBondContact O-OG1 3.35Å; Q484-T487 WeakPolarHBondContact O-CB 3.48Å; Q484-T487 PolarHBondContact O-N 2.82Å; T487-A489 VanDerWaalsContact C-N 3.33Å; T487-A489 PolarHBondContact O-N 2.99Å; T487-K490 PolarHBondContact O-N 2.8Å; T487-I491 HydrophobicContact CG2-CD1 3.99Å; T487-I491 WeakPolarHBondContact O-CG1 3.34Å; T487-I491 PolarHBondContact O-N 3Å
488	K	94.9	Very high	92.7	Very high	17 Å²	17	44.6 Å²	44.6	7%	0.074	24%	0.237	C	C	.	.	H	α-helix	trans	-60.1	-41.1	175	-71.3	-177.4	-171.2	-166.9	0	111.7	Q484 A485 V486 I491 L492 L845 E846 L848 F850	Q484-K488 WeakPolarHBondContact O-CG 3.45Å; Q484-K488 PolarHBondContact O-N 2.91Å; A485-K488 PolarHBondContact O-N 2.84Å; V486-K488 VanDerWaalsContact C-N 3.31Å; V486-K488 PolarHBondContact O-N 3.04Å; K488-I491 PolarHBondContact O-N 3.33Å; K488-L492 WeakPolarHBondContact O-CB 3.05Å; K488-L492 PolarHBondContact O-N 3Å; K488-L845 HydrophobicContact CD-CB 4.26Å; K488-L845 PolarHBondContact NZ-O 2.94Å; K488-E846 PolarHBondContact NZ-O 3.39Å; K488-L848 WeakPolarHBondContact CE-O 2.97Å; K488-L848 PolarHBondContact NZ-O 2.88Å; K488-F850 HydrophobicContact CB-CD2 3.92Å; K488-F850 HydrophobicContact CB-CE2 4.13Å; K488-F850 HydrophobicContact CG-CD2 4.48Å; K488-F850 WeakPolarHBondContact O-CD2 2.97Å
489	A	95.6	Very high	93.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.2	-42.7	175.4	0	0	0	0	0	112.8	L474 A485 V486 T487 L492 Y493 V763 L767 T771	L474-A489 HydrophobicContact CD2-CB 4.06Å; A485-A489 PolarHBondContact O-N 3.08Å; A485-A489 VanDerWaalsContact O-N 3.15Å; V486-A489 WeakPolarHBondContact O-CB 3.43Å; V486-A489 PolarHBondContact O-N 3.31Å; V486-A489 VanDerWaalsContact O-N 3.12Å; T487-A489 VanDerWaalsContact C-N 3.33Å; T487-A489 PolarHBondContact O-N 2.99Å; A489-L492 PolarHBondContact O-N 3.18Å; A489-Y493 PolarHBondContact O-N 3.35Å; A489-V763 HydrophobicContact CB-CG1 3.86Å; A489-L767 HydrophobicContact CB-CD1 3.89Å; A489-T771 HydrophobicContact CB-CG2 4.49Å
490	K	95.9	Very high	93.6	Very high	1 Å²	1	44.4 Å²	44.4	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-65.1	-42.3	175.5	-69.6	-177.4	170.1	178.4	0	112.7	L473 L474 S476 P477 E482 V486 T487 L492 Y493 R494	L473-K490 VanDerWaalsContact O-CE 3.25Å; L473-K490 WeakPolarHBondContact O-CE 3.3Å; L474-K490 HydrophobicContact CD2-CG 4.35Å; S476-K490 WeakPolarHBondContact O-CE 3.44Å; S476-K490 PolarHBondContact O-NZ 2.95Å; S476-K490 WeakPolarHBondContact OG-CE 3.5Å; S476-K490 PolarHBondContact OG-NZ 3.38Å; P477-K490 PolarHBondContact O-NZ 2.89Å; P477-K490 VanDerWaalsContact O-NZ 3.13Å; E482-K490 VanDerWaalsContact OE1-CE 3.25Å; E482-K490 WeakPolarHBondContact OE1-CE 3.21Å; E482-K490 IonicContact OE1-NZ 3.45Å; E482-K490 PolarHBondContact OE1-NZ 3.17Å; E482-K490 WeakPolarHBondContact OE2-CD 3.5Å; E482-K490 IonicContact OE2-NZ 3.64Å; E482-K490 PolarHBondContact OE2-NZ 3.21Å; V486-K490 PolarHBondContact O-N 3.5Å; T487-K490 PolarHBondContact O-N 2.8Å; K490-L492 VanDerWaalsContact C-N 3.35Å; K490-Y493 WeakPolarHBondContact O-CB 3.33Å; K490-Y493 PolarHBondContact O-N 2.69Å; K490-R494 WeakPolarHBondContact O-CG 3.29Å; K490-R494 PolarHBondContact O-N 2.9Å
491	I	95.8	Very high	94.3	Very high	35 Å²	35	40.8 Å²	40.8	18%	0.179	20%	0.203	C	C	.	.	H	α-helix	trans	-60.7	-45.5	175.3	-71.9	168.9	0	0	0	110.5	T487 K488 Y493 R494 S495 F850 E852	T487-I491 HydrophobicContact CG2-CD1 3.99Å; T487-I491 WeakPolarHBondContact O-CG1 3.34Å; T487-I491 PolarHBondContact O-N 3Å; K488-I491 PolarHBondContact O-N 3.33Å; I491-Y493 VanDerWaalsContact C-N 3.35Å; I491-Y493 PolarHBondContact O-N 2.96Å; I491-R494 PolarHBondContact O-N 3.33Å; I491-S495 PolarHBondContact O-N 3.33Å; I491-F850 HydrophobicContact CB-CB 4.45Å; I491-F850 HydrophobicContact CG2-CB 3.55Å; I491-E852 HydrophobicContact CB-CG 4.27Å; I491-E852 HydrophobicContact CG1-CG 4.21Å; I491-E852 HydrophobicContact CG2-CG 3.75Å
492	L	97.1	Very high	94.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.9	-45.2	178	-173.2	59.3	0	0	0	111.2	K488 A489 K490 S495 C496 Y762 V763 L767 F850 N858	K488-L492 WeakPolarHBondContact O-CB 3.05Å; K488-L492 PolarHBondContact O-N 3Å; A489-L492 PolarHBondContact O-N 3.18Å; K490-L492 VanDerWaalsContact C-N 3.35Å; L492-S495 PolarHBondContact O-N 3.26Å; L492-S495 PolarHBondContact O-OG 3.4Å; L492-C496 PolarHBondContact O-N 3.36Å; L492-Y762 HydrophobicContact CD1-CE1 4.02Å; L492-Y762 HydrophobicContact CD2-CD1 4.25Å; L492-Y762 HydrophobicContact CD2-CE1 3.89Å; L492-Y762 HydrophobicContact CG-CD1 4.33Å; L492-Y762 HydrophobicContact CG-CE1 4.13Å; L492-V763 HydrophobicContact CB-CG2 4.12Å; L492-V763 HydrophobicContact CD2-CG2 4.08Å; L492-V763 HydrophobicContact CG-CG2 3.9Å; L492-L767 HydrophobicContact CD2-CD1 3.81Å; L492-L767 HydrophobicContact CD2-CG 4.13Å; L492-F850 HydrophobicContact CB-CD2 4.09Å; L492-F850 HydrophobicContact CB-CE2 4.24Å; L492-F850 HydrophobicContact CD1-CD1 4.33Å; L492-F850 HydrophobicContact CD1-CE1 4.31Å; L492-F850 HydrophobicContact CD1-CG 4.47Å; L492-F850 HydrophobicContact CD1-CZ 4.44Å; L492-F850 HydrophobicContact CD2-CE2 4.16Å; L492-F850 HydrophobicContact CD2-CZ 4.12Å; L492-N858 HydrophobicContact CD1-CB 3.57Å
493	Y	97.8	Very high	95.1	Very high	7 Å²	7	33.9 Å²	33.9	3%	0.027	17%	0.174	C	C	.	.	H	α-helix	trans	-57.5	-51	174.4	178.5	-104.1	0	0	0	112	L474 E475 A489 K490 I491 S495 C496 M497 C759 V760	L474-Y493 HydrophobicContact CB-CD1 4.01Å; L474-Y493 HydrophobicContact CB-CD2 4.29Å; L474-Y493 HydrophobicContact CB-CE1 4.44Å; L474-Y493 HydrophobicContact CB-CG 3.92Å; L474-Y493 HydrophobicContact CD1-CD2 4.02Å; L474-Y493 HydrophobicContact CD1-CG 4.27Å; E475-Y493 HydrophobicContact CG-CE1 3.55Å; E475-Y493 PolarHBondContact OE1-OH 3.4Å; A489-Y493 PolarHBondContact O-N 3.35Å; K490-Y493 WeakPolarHBondContact O-CB 3.33Å; K490-Y493 PolarHBondContact O-N 2.69Å; I491-Y493 VanDerWaalsContact C-N 3.35Å; I491-Y493 PolarHBondContact O-N 2.96Å; Y493-S495 VanDerWaalsContact C-N 3.34Å; Y493-S495 PolarHBondContact O-N 2.91Å; Y493-C496 WeakPolarHBondContact O-CB 3.08Å; Y493-C496 PolarHBondContact O-N 2.99Å; Y493-C496 VanDerWaalsContact O-N 3.1Å; Y493-M497 HydrophobicContact CD1-CG 4.17Å; Y493-M497 HydrophobicContact CD2-CG 4.38Å; Y493-M497 HydrophobicContact CE1-CG 3.74Å; Y493-M497 HydrophobicContact CE2-CG 3.96Å; Y493-M497 HydrophobicContact CE2-SD 4.19Å; Y493-M497 HydrophobicContact CG-CG 4.47Å; Y493-M497 WeakPolarHBondContact O-CG 3.2Å; Y493-M497 PolarHBondContact O-N 2.74Å; Y493-C759 HydrophobicContact CD2-CB 3.77Å; Y493-C759 HydrophobicContact CE2-CB 3.8Å; Y493-V760 HydrophobicContact CD2-CG2 4.39Å; Y493-V760 HydrophobicContact CE2-CG2 3.86Å
494	R	97.6	Very high	95.4	Very high	85 Å²	85	38.6 Å²	38.6	32%	0.321	20%	0.195	S	C	.	.	H	α-helix	trans	-60.7	-41.4	179.3	-70.6	173.2	-165.4	151.9	6.7	112.3	S478 K490 I491 C496 M497 N498 E852	S478-R494 PolarHBondContact OG-NH2 3.18Å; K490-R494 WeakPolarHBondContact O-CG 3.29Å; K490-R494 PolarHBondContact O-N 2.9Å; I491-R494 PolarHBondContact O-N 3.33Å; R494-C496 VanDerWaalsContact C-N 3.28Å; R494-C496 PolarHBondContact O-N 3.22Å; R494-M497 PolarHBondContact O-N 2.85Å; R494-N498 PolarHBondContact O-N 2.84Å; R494-E852 HydrophobicContact CB-CG 4.47Å; R494-E852 VanDerWaalsContact CD-OE1 3.25Å; R494-E852 WeakPolarHBondContact CD-OE1 3.25Å; R494-E852 IonicContact CZ-OE1 3.26Å; R494-E852 IonicContact NH1-OE1 3.06Å; R494-E852 PolarHBondContact NH1-OE1 3.44Å
495	S	97.1	Very high	95.6	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-60.5	-40.5	175.4	77	0	0	0	0	111.6	I491 L492 Y493 E852 Y855 N858	I491-S495 PolarHBondContact O-N 3.33Å; L492-S495 PolarHBondContact O-N 3.26Å; L492-S495 PolarHBondContact O-OG 3.4Å; Y493-S495 VanDerWaalsContact C-N 3.34Å; Y493-S495 PolarHBondContact O-N 2.91Å; S495-E852 VanDerWaalsContact CA-O 3.28Å; S495-E852 WeakPolarHBondContact CA-O 3.48Å; S495-E852 WeakPolarHBondContact CB-O 3.42Å; S495-Y855 WeakPolarHBondContact O-CB 2.9Å; S495-N858 WeakPolarHBondContact CB-ND2 3.27Å; S495-N858 PolarHBondContact OG-ND2 3.13Å
496	C	97	Very high	95.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-67.5	-35.3	177.1	-178.2	0	0	0	0	112.6	L492 Y493 R494 N498 R755 C759 Y855	L492-C496 PolarHBondContact O-N 3.36Å; Y493-C496 WeakPolarHBondContact O-CB 3.08Å; Y493-C496 PolarHBondContact O-N 2.99Å; Y493-C496 VanDerWaalsContact O-N 3.1Å; R494-C496 VanDerWaalsContact C-N 3.28Å; R494-C496 PolarHBondContact O-N 3.22Å; C496-N498 VanDerWaalsContact C-N 3.34Å; C496-R755 PolarHBondContact O-NE 2.87Å; C496-R755 PolarHBondContact O-NH2 3.34Å; C496-C759 HydrophobicContact CB-CB 3.64Å; C496-C759 WeakPolarHBondContact CB-SG 3.35Å; C496-C759 PolarHBondContact O-SG 2.82Å; C496-C759 VanDerWaalsContact O-SG 3.35Å; C496-C759 WeakPolarHBondContact SG-CA 3.1Å; C496-C759 WeakPolarHBondContact SG-CB 3.2Å; C496-C759 CovalentContact SG-SG 2.03Å; C496-C759 PolarHBondContact SG-SG 3.24Å; C496-Y855 VanDerWaalsContact CA-CD2 3.45Å; C496-Y855 HydrophobicContact CB-CD2 3.59Å; C496-Y855 HydrophobicContact CB-CE2 3.37Å; C496-Y855 HydrophobicContact CB-CG 4.36Å
497	M	97.2	Very high	96	Very high	43 Å²	43	37.5 Å²	37.5	21%	0.212	19%	0.192	C	C	.	.	H	α-helix	trans	-74	-20.9	-178.3	-74.6	-60.8	-70.9	0	0	114.1	Y493 R494 E499 R755 W756 C759	Y493-M497 HydrophobicContact CD1-CG 4.17Å; Y493-M497 HydrophobicContact CD2-CG 4.38Å; Y493-M497 HydrophobicContact CE1-CG 3.74Å; Y493-M497 HydrophobicContact CE2-CG 3.96Å; Y493-M497 HydrophobicContact CE2-SD 4.19Å; Y493-M497 HydrophobicContact CG-CG 4.47Å; Y493-M497 WeakPolarHBondContact O-CG 3.2Å; Y493-M497 PolarHBondContact O-N 2.74Å; R494-M497 PolarHBondContact O-N 2.85Å; M497-E499 PolarHBondContact O-N 2.64Å; M497-R755 HydrophobicContact SD-CB 4.47Å; M497-R755 HydrophobicContact SD-CG 4.07Å; M497-W756 HydrophobicContact CE-CB 3.94Å; M497-W756 WeakPolarHBondContact SD-CA 3.39Å; M497-W756 HydrophobicContact SD-CB 3.9Å; M497-C759 HydrophobicContact CG-CB 4.4Å; M497-C759 HydrophobicContact SD-CB 4.14Å
498	N	96.1	Very high	96.1	Very high	60 Å²	60	41.9 Å²	41.9	32%	0.321	20%	0.204	S	C	.	.			trans	-78.5	82.6	-176.3	-165.9	-24	0	0	0	112.3	R494 C496 S500 I501	R494-N498 PolarHBondContact O-N 2.84Å; C496-N498 VanDerWaalsContact C-N 3.34Å; N498-S500 VanDerWaalsContact C-N 3.32Å; N498-S500 PolarHBondContact O-N 3.09Å; N498-S500 PolarHBondContact OD1-N 3.28Å; N498-I501 VanDerWaalsContact ND2-CD1 3.27Å; N498-I501 WeakPolarHBondContact ND2-CD1 3.5Å; N498-I501 PolarHBondContact OD1-N 3.46Å
499	E	94.1	Very high	96.2	Very high	57 Å²	57	42.1 Å²	42.1	27%	0.266	21%	0.208	S	C	.	.	H	α-helix	trans	-63.7	-33.9	179.7	-69.6	-172.5	-124.4	0	0	113.2	M497 I501 L502 E503 R733 R755	M497-E499 PolarHBondContact O-N 2.64Å; E499-I501 VanDerWaalsContact C-N 3.3Å; E499-I501 PolarHBondContact O-N 3.42Å; E499-L502 WeakPolarHBondContact O-CB 3.46Å; E499-L502 PolarHBondContact O-N 2.94Å; E499-E503 WeakPolarHBondContact O-CG 3.45Å; E499-E503 PolarHBondContact O-N 3.2Å; E499-R733 IonicContact OE2-CZ 2.68Å; E499-R733 IonicContact OE2-NE 3.32Å; E499-R733 IonicContact OE2-NH2 3.34Å; E499-R733 PolarHBondContact OE2-NH2 3.06Å; E499-R755 HydrophobicContact CG-CG 4.15Å
500	S	95.9	Very high	96.2	Very high	96 Å²	96	42.1 Å²	42.1	67%	0.671	21%	0.208	S	C	*	.	H	α-helix	trans	-56.9	-43.5	-179.4	-56.4	0	0	0	0	112.4	N498 E504	N498-S500 VanDerWaalsContact C-N 3.32Å; N498-S500 PolarHBondContact O-N 3.09Å; N498-S500 PolarHBondContact OD1-N 3.28Å; S500-E504 WeakPolarHBondContact O-CB 3.4Å; S500-E504 PolarHBondContact O-N 2.91Å
501	I	94.9	Very high	96.2	Very high	34 Å²	34	43.4 Å²	43.4	17%	0.174	21%	0.214	C	C	.	.	H	α-helix	trans	-68.8	-36.6	176.9	-65.3	178.9	0	0	0	111.1	N498 E499 E504 L505 K853	N498-I501 VanDerWaalsContact ND2-CD1 3.27Å; N498-I501 WeakPolarHBondContact ND2-CD1 3.5Å; N498-I501 PolarHBondContact OD1-N 3.46Å; E499-I501 VanDerWaalsContact C-N 3.3Å; E499-I501 PolarHBondContact O-N 3.42Å; I501-E504 PolarHBondContact O-N 3.19Å; I501-L505 HydrophobicContact CG2-CD1 3.71Å; I501-L505 HydrophobicContact CG2-CG 4.08Å; I501-L505 WeakPolarHBondContact O-CB 3.47Å; I501-L505 VanDerWaalsContact O-CG 3.28Å; I501-L505 WeakPolarHBondContact O-CG 3.11Å; I501-L505 PolarHBondContact O-N 3.37Å; I501-K853 HydrophobicContact CD1-CB 3.93Å; I501-K853 HydrophobicContact CD1-CG 4.01Å
502	L	93.6	Very high	96.2	Very high	11 Å²	11	49.3 Å²	49.3	6%	0.058	24%	0.239	C	C	.	.	H	α-helix	trans	-68.2	-39.2	179.1	-66.7	170.5	0	0	0	112.5	E499 D506 R755 Y855	E499-L502 WeakPolarHBondContact O-CB 3.46Å; E499-L502 PolarHBondContact O-N 2.94Å; L502-D506 WeakPolarHBondContact O-CA 3.15Å; L502-D506 PolarHBondContact O-N 3.1Å; L502-R755 VanDerWaalsContact CD1-CZ 3.45Å; L502-Y855 HydrophobicContact CD1-CD1 4.34Å; L502-Y855 HydrophobicContact CD2-CD1 3.87Å; L502-Y855 HydrophobicContact CD2-CG 4.47Å
503	E	96.3	Very high	96.1	Very high	80 Å²	80	49.8 Å²	49.8	37%	0.374	24%	0.241	S	C	.	.	H	α-helix	trans	-67.9	-38.7	173.4	-65.3	-48.4	124.8	0	0	111.3	E499 S732 R733	E499-E503 WeakPolarHBondContact O-CG 3.45Å; E499-E503 PolarHBondContact O-N 3.2Å; E503-S732 WeakPolarHBondContact OE1-CA 3.31Å; E503-R733 WeakPolarHBondContact OE1-CB 3.38Å; E503-R733 PolarHBondContact OE1-N 3.14Å
504	E	96.6	Very high	96	Very high	131 Å²	131	49.5 Å²	49.5	61%	0.612	24%	0.24	S	C	*	.	H	α-helix	trans	-62.6	-53.2	174.5	-164.9	-161.3	141.7	0	0	110.4	S500 I501 R508	S500-E504 WeakPolarHBondContact O-CB 3.4Å; S500-E504 PolarHBondContact O-N 2.91Å; I501-E504 PolarHBondContact O-N 3.19Å; E504-R508 VanDerWaalsContact C-NH2 3.26Å; E504-R508 PolarHBondContact O-NH2 2.69Å; E504-R508 IonicContact OE1-NH2 2.93Å
505	L	95.9	Very high	95.9	Very high	45 Å²	45	50.5 Å²	50.5	24%	0.236	24%	0.243	C	C	.	.	H	α-helix	trans	-67.3	-37.2	-176.6	-70.1	178.9	0	0	0	112.8	I501 A507 R508 P509	I501-L505 HydrophobicContact CG2-CD1 3.71Å; I501-L505 HydrophobicContact CG2-CG 4.08Å; I501-L505 WeakPolarHBondContact O-CB 3.47Å; I501-L505 VanDerWaalsContact O-CG 3.28Å; I501-L505 WeakPolarHBondContact O-CG 3.11Å; I501-L505 PolarHBondContact O-N 3.37Å; L505-A507 PolarHBondContact O-N 2.8Å; L505-R508 VanDerWaalsContact O-CB 3.24Å; L505-R508 WeakPolarHBondContact O-CB 3.49Å; L505-R508 VanDerWaalsContact O-CG 3.3Å; L505-R508 WeakPolarHBondContact O-CG 3.44Å; L505-R508 PolarHBondContact O-N 2.74Å; L505-R508 PolarHBondContact O-NE 2.61Å; L505-P509 HydrophobicContact CB-CG 4.01Å; L505-P509 HydrophobicContact CD1-CG 4.27Å
506	D	96.3	Very high	95.7	Very high	38 Å²	38	53.8 Å²	53.8	20%	0.203	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	-121	176.7	178.9	44.9	0	0	0	112.3	L502 R508 S732 R734	L502-D506 WeakPolarHBondContact O-CA 3.15Å; L502-D506 PolarHBondContact O-N 3.1Å; D506-R508 VanDerWaalsContact C-N 3.35Å; D506-S732 WeakPolarHBondContact OD1-CB 3.32Å; D506-S732 PolarHBondContact OD1-OG 2.73Å; D506-R734 IonicContact OD1-CZ 3.96Å; D506-R734 IonicContact OD1-NE 3.72Å; D506-R734 PolarHBondContact OD1-NE 3.01Å; D506-R734 IonicContact OD1-NH2 3.28Å; D506-R734 PolarHBondContact OD1-NH2 2.93Å; D506-R734 IonicContact OD2-CZ 2.96Å; D506-R734 IonicContact OD2-NE 2.95Å; D506-R734 PolarHBondContact OD2-NE 2.89Å; D506-R734 IonicContact OD2-NH1 3.93Å; D506-R734 IonicContact OD2-NH2 2.65Å; D506-R734 PolarHBondContact OD2-NH2 3.41Å
507	A	96.6	Very high	95.5	Very high	4 Å²	4	57.6 Å²	57.6	3%	0.033	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-12.5	-177.8	0	0	0	0	0	114.1	L505 M510 L511 L614 F735	L505-A507 PolarHBondContact O-N 2.8Å; A507-M510 PolarHBondContact O-N 3.21Å; A507-L511 HydrophobicContact CB-CD1 4.24Å; A507-L511 HydrophobicContact CB-CG 4.49Å; A507-L511 PolarHBondContact O-N 3.21Å; A507-L614 HydrophobicContact CB-CD2 3.94Å; A507-F735 HydrophobicContact CB-CE2 4Å; A507-F735 HydrophobicContact CB-CZ 3.94Å
508	R	96.4	Very high	95.2	Very high	133 Å²	133	57.2 Å²	57.2	50%	0.502	28%	0.281	S	S	.	.	H	α-helix	trans	-58.6	-42.2	-167.5	-62.3	-178.6	-77.9	-178.1	6.4	113.6	E504 L505 D506 M510 L511 K512	E504-R508 VanDerWaalsContact C-NH2 3.26Å; E504-R508 PolarHBondContact O-NH2 2.69Å; E504-R508 IonicContact OE1-NH2 2.93Å; L505-R508 VanDerWaalsContact O-CB 3.24Å; L505-R508 WeakPolarHBondContact O-CB 3.49Å; L505-R508 VanDerWaalsContact O-CG 3.3Å; L505-R508 WeakPolarHBondContact O-CG 3.44Å; L505-R508 PolarHBondContact O-N 2.74Å; L505-R508 PolarHBondContact O-NE 2.61Å; D506-R508 VanDerWaalsContact C-N 3.35Å; R508-M510 PolarHBondContact O-N 3.27Å; R508-L511 PolarHBondContact O-N 3.17Å; R508-K512 PolarHBondContact O-N 3.38Å
509	P	95.9	Very high	95.2	Very high	22 Å²	22	54.4 Å²	54.4	14%	0.143	27%	0.266	C	S	.	.	H	α-helix	trans	-62.9	-40.4	178.1	-23.4	35.2	0	0	0	113.2	L505 K512 M513 Y856	L505-P509 HydrophobicContact CB-CG 4.01Å; L505-P509 HydrophobicContact CD1-CG 4.27Å; P509-K512 WeakPolarHBondContact O-CB 3.44Å; P509-K512 PolarHBondContact O-N 2.84Å; P509-M513 PolarHBondContact O-N 3.31Å; P509-Y856 HydrophobicContact CB-CD1 3.42Å; P509-Y856 VanDerWaalsContact CB-CD1 3.42Å; P509-Y856 HydrophobicContact CB-CD2 3.87Å; P509-Y856 HydrophobicContact CB-CE1 3.91Å; P509-Y856 HydrophobicContact CB-CE2 4.3Å; P509-Y856 HydrophobicContact CB-CG 3.4Å; P509-Y856 VanDerWaalsContact CB-CG 3.4Å; P509-Y856 HydrophobicContact CG-CG 4.27Å
510	M	95.9	Very high	95.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-69.8	-41.1	177.1	-174	176.3	-66.4	0	0	111.7	A507 R508 K512 M513 L514 L614 V724 K727 L731 Y856	A507-M510 PolarHBondContact O-N 3.21Å; R508-M510 PolarHBondContact O-N 3.27Å; M510-K512 VanDerWaalsContact C-N 3.29Å; M510-K512 PolarHBondContact O-N 2.91Å; M510-M513 HydrophobicContact CG-CE 4.15Å; M510-M513 WeakPolarHBondContact O-CB 3.45Å; M510-M513 PolarHBondContact O-N 3.34Å; M510-M513 VanDerWaalsContact O-N 3.14Å; M510-L514 HydrophobicContact CG-CD1 4.01Å; M510-L514 HydrophobicContact CG-CG 4.34Å; M510-L514 WeakPolarHBondContact O-CG 3.38Å; M510-L514 PolarHBondContact O-N 2.74Å; M510-L614 HydrophobicContact CB-CD2 4.5Å; M510-L614 HydrophobicContact CG-CD2 4.36Å; M510-L614 HydrophobicContact SD-CD1 3.78Å; M510-L614 HydrophobicContact SD-CD2 4.02Å; M510-V724 HydrophobicContact SD-CG1 4.02Å; M510-V724 HydrophobicContact SD-CG2 4.22Å; M510-K727 HydrophobicContact CE-CB 3.62Å; M510-L731 HydrophobicContact CB-CD1 4.28Å; M510-L731 HydrophobicContact CB-CD2 4.14Å; M510-L731 HydrophobicContact CE-CD1 3.34Å; M510-L731 HydrophobicContact CE-CD2 4.01Å; M510-L731 HydrophobicContact CE-CG 3.69Å; M510-L731 HydrophobicContact SD-CD1 3.87Å; M510-Y856 HydrophobicContact CB-CE2 4.41Å
511	L	96.8	Very high	95.3	Very high	27 Å²	27	49.6 Å²	49.6	14%	0.141	23%	0.231	C	C	.	.	H	α-helix	trans	-61.1	-39	174.3	-74	175.9	0	0	0	111.9	A507 R508 M513 L514 R515 L524 L528 Y532 L614	A507-L511 HydrophobicContact CB-CD1 4.24Å; A507-L511 HydrophobicContact CB-CG 4.49Å; A507-L511 PolarHBondContact O-N 3.21Å; R508-L511 PolarHBondContact O-N 3.17Å; L511-M513 VanDerWaalsContact C-N 3.31Å; L511-M513 PolarHBondContact O-N 3.17Å; L511-L514 PolarHBondContact O-N 2.78Å; L511-R515 WeakPolarHBondContact O-CG 3.48Å; L511-R515 PolarHBondContact O-N 3.41Å; L511-R515 VanDerWaalsContact O-N 3.1Å; L511-L524 HydrophobicContact CD2-CD1 4.24Å; L511-L528 HydrophobicContact CD2-CD1 3.79Å; L511-Y532 HydrophobicContact CD2-CE1 4.15Å; L511-L614 HydrophobicContact CD2-CB 4.28Å; L511-L614 HydrophobicContact CD2-CD2 4Å; L511-L614 WeakPolarHBondContact CD2-O 3.44Å; L511-L614 HydrophobicContact CG-CD2 4.07Å
512	K	95.7	Very high	95.4	Very high	160 Å²	160	48 Å²	48	70%	0.696	22%	0.222	S	C	*	.	H	α-helix	trans	-59.3	-41.6	173.9	-175.8	-177.4	178.5	-176	0	111.8	R508 P509 M510	R508-K512 PolarHBondContact O-N 3.38Å; P509-K512 WeakPolarHBondContact O-CB 3.44Å; P509-K512 PolarHBondContact O-N 2.84Å; M510-K512 VanDerWaalsContact C-N 3.29Å; M510-K512 PolarHBondContact O-N 2.91Å
513	M	94.7	Very high	95.6	Very high	10 Å²	10	47.5 Å²	47.5	5%	0.049	22%	0.22	C	C	.	.	H	α-helix	trans	-64.5	-48.6	174	177.6	-158.5	79.2	0	0	111.4	P509 M510 L511 R515 Q516 F519 H552 T723 Y856	P509-M513 PolarHBondContact O-N 3.31Å; M510-M513 HydrophobicContact CG-CE 4.15Å; M510-M513 WeakPolarHBondContact O-CB 3.45Å; M510-M513 PolarHBondContact O-N 3.34Å; M510-M513 VanDerWaalsContact O-N 3.14Å; L511-M513 VanDerWaalsContact C-N 3.31Å; L511-M513 PolarHBondContact O-N 3.17Å; M513-R515 PolarHBondContact O-N 2.87Å; M513-R515 VanDerWaalsContact O-N 3.13Å; M513-Q516 WeakPolarHBondContact O-CB 3.49Å; M513-Q516 WeakPolarHBondContact O-CG 3.36Å; M513-Q516 PolarHBondContact O-N 3.34Å; M513-Q516 VanDerWaalsContact O-N 3.08Å; M513-F519 HydrophobicContact CG-CD2 4.34Å; M513-H552 PolarHBondContact SD-CE1 2.97Å; M513-T723 HydrophobicContact CE-CG2 3.84Å; M513-T723 HydrophobicContact SD-CG2 4.3Å; M513-Y856 PolarHBondContact SD-OH 3.42Å
514	L	95.6	Very high	95.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-68.8	-7.7	-178.2	-65.1	174.9	0	0	0	114.2	M510 L511 F519 R520 W521 L524 L614 V724	M510-L514 HydrophobicContact CG-CD1 4.01Å; M510-L514 HydrophobicContact CG-CG 4.34Å; M510-L514 WeakPolarHBondContact O-CG 3.38Å; M510-L514 PolarHBondContact O-N 2.74Å; L511-L514 PolarHBondContact O-N 2.78Å; L514-F519 VanDerWaalsContact CD2-O 3.23Å; L514-F519 WeakPolarHBondContact CD2-O 3.02Å; L514-R520 VanDerWaalsContact O-CA 3.29Å; L514-R520 WeakPolarHBondContact O-CA 3.41Å; L514-W521 HydrophobicContact CD1-CE3 4.34Å; L514-W521 HydrophobicContact CD2-CB 4.34Å; L514-L524 HydrophobicContact CB-CD1 4.34Å; L514-L524 HydrophobicContact CD1-CD1 3.56Å; L514-L614 HydrophobicContact CD1-CD1 4.22Å; L514-V724 HydrophobicContact CD1-CG2 4.07Å; L514-V724 HydrophobicContact CD2-CG2 4.25Å
515	R	94.8	Very high	95.4	Very high	106 Å²	106	37.7 Å²	37.7	40%	0.4	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-26.1	169.8	-74.3	177.1	-150.4	-158.3	6.5	113.1	L511 M513 R520 E531 Y532	L511-R515 WeakPolarHBondContact O-CG 3.48Å; L511-R515 PolarHBondContact O-N 3.41Å; L511-R515 VanDerWaalsContact O-N 3.1Å; M513-R515 PolarHBondContact O-N 2.87Å; M513-R515 VanDerWaalsContact O-N 3.13Å; R515-R520 PolarHBondContact O-NE 3.48Å; R515-E531 IonicContact CZ-OE2 2.81Å; R515-E531 IonicContact NE-OE2 2.69Å; R515-E531 IonicContact NH1-OE2 3.71Å; R515-E531 PolarHBondContact NH1-OE2 3.4Å; R515-Y532 HydrophobicContact CB-CE1 4.41Å; R515-Y532 HydrophobicContact CG-CD1 3.92Å; R515-Y532 HydrophobicContact CG-CD2 4.48Å; R515-Y532 HydrophobicContact CG-CE1 3.31Å; R515-Y532 HydrophobicContact CG-CE2 3.94Å; R515-Y532 HydrophobicContact CG-CG 4.49Å; R515-Y532 VanDerWaalsContact CZ-OH 3.26Å; R515-Y532 VanDerWaalsContact NE-CZ 3.33Å; R515-Y532 PolarHBondContact NE-OH 2.93Å; R515-Y532 PolarHBondContact NH2-OH 3.42Å; R515-Y532 VanDerWaalsContact NH2-OH 3.17Å
516	Q	93.6	Very high	95.1	Very high	73 Å²	73	38.9 Å²	38.9	34%	0.341	18%	0.182	S	C	.	.	S	Bend	trans	-62.9	136.4	-177.3	-61.7	179.9	16.7	0	0	109.8	M513 E518 F519 R520	M513-Q516 WeakPolarHBondContact O-CB 3.49Å; M513-Q516 WeakPolarHBondContact O-CG 3.36Å; M513-Q516 PolarHBondContact O-N 3.34Å; M513-Q516 VanDerWaalsContact O-N 3.08Å; Q516-E518 PolarHBondContact O-N 2.7Å; Q516-F519 HydrophobicContact CB-CD2 3.91Å; Q516-F519 CarbonylContact O-C 3.36Å; Q516-F519 PolarHBondContact O-N 3.32Å; Q516-F519 VanDerWaalsContact OE1-CE2 3.31Å; Q516-R520 WeakPolarHBondContact O-CG 3.38Å; Q516-R520 PolarHBondContact O-N 3.3Å
517	P	92.4	Very high	94.7	Very high	80 Å²	80	39.1 Å²	39.1	52%	0.519	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-38.6	-171.3	-28.8	35.5	0	0	0	114.7	F519	P517-F519 VanDerWaalsContact C-N 3.33Å
518	E	92.3	Very high	94.4	Very high	35 Å²	35	41.8 Å²	41.8	16%	0.164	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-22.6	-177.6	-61.7	76.6	-165.7	0	0	113.3	Q516 K543 T544 E547 Q720	Q516-E518 PolarHBondContact O-N 2.7Å; E518-K543 HydrophobicContact CG-CD 3.87Å; E518-K543 HydrophobicContact CG-CG 4.06Å; E518-K543 WeakPolarHBondContact OE1-CE 3.38Å; E518-K543 IonicContact OE1-NZ 3.71Å; E518-K543 PolarHBondContact OE1-NZ 3.14Å; E518-T544 VanDerWaalsContact O-CG2 3.31Å; E518-T544 WeakPolarHBondContact O-CG2 3.36Å; E518-T544 PolarHBondContact O-OG1 3.47Å; E518-E547 HydrophobicContact CB-CB 4.46Å; E518-E547 HydrophobicContact CB-CG 4.46Å; E518-E547 HydrophobicContact CG-CG 4.16Å; E518-Q720 PolarHBondContact O-NE2 3.29Å
519	F	94.8	Very high	93.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	1.9	-175.9	-56.1	-55.5	0	0	0	114.1	M513 L514 Q516 P517 W521 E547 M548 Q551 H552 Q720	M513-F519 HydrophobicContact CG-CD2 4.34Å; L514-F519 VanDerWaalsContact CD2-O 3.23Å; L514-F519 WeakPolarHBondContact CD2-O 3.02Å; Q516-F519 HydrophobicContact CB-CD2 3.91Å; Q516-F519 CarbonylContact O-C 3.36Å; Q516-F519 PolarHBondContact O-N 3.32Å; Q516-F519 VanDerWaalsContact OE1-CE2 3.31Å; P517-F519 VanDerWaalsContact C-N 3.33Å; F519-W521 PolarHBondContact O-N 3.44Å; F519-E547 HydrophobicContact CE1-CB 4.19Å; F519-E547 HydrophobicContact CZ-CB 3.8Å; F519-M548 HydrophobicContact CD1-CG 4.26Å; F519-M548 HydrophobicContact CE1-CG 3.77Å; F519-Q551 HydrophobicContact CZ-CB 4.41Å; F519-H552 AromaticContact CE1-CD2 3.73Å; F519-H552 AromaticContact CE1-NE2 3.54Å; F519-H552 AromaticContact CE2-NE2 3.58Å; F519-H552 AromaticContact CZ-CD2 3.63Å; F519-H552 AromaticContact CZ-NE2 3.23Å; F519-H552 WeakPolarHBondContact CZ-NE2 3.46Å; F519-Q720 PolarHBondContact O-OE1 3.21Å
520	R	95.4	Very high	93.5	Very high	51 Å²	51	47.3 Å²	47.3	19%	0.192	24%	0.236	C	C	.	.			trans	-55.7	117.1	177	-73.5	-174.9	-173.2	162.1	6	110.8	L514 R515 Q516 P522 E531 Q533 W534	L514-R520 VanDerWaalsContact O-CA 3.29Å; L514-R520 WeakPolarHBondContact O-CA 3.41Å; R515-R520 PolarHBondContact O-NE 3.48Å; Q516-R520 WeakPolarHBondContact O-CG 3.38Å; Q516-R520 PolarHBondContact O-N 3.3Å; R520-P522 WeakPolarHBondContact O-CD 3.33Å; R520-E531 PolarHBondContact NE-O 2.85Å; R520-Q533 WeakPolarHBondContact CD-O 3.02Å; R520-Q533 PolarHBondContact NH1-O 3.22Å; R520-W534 HydrophobicContact CB-CB 4.5Å
521	W	97.1	Very high	93.1	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.008	26%	0.262	C	S	.	.			trans	-84.2	113.1	175.9	-165.9	11.9	0	0	0	109.3	L514 F519 V523 L524 A611 L614 M625 N717 Q720 W721 V724	L514-W521 HydrophobicContact CD1-CE3 4.34Å; L514-W521 HydrophobicContact CD2-CB 4.34Å; F519-W521 PolarHBondContact O-N 3.44Å; W521-V523 HydrophobicContact CD2-CG1 3.56Å; W521-V523 HydrophobicContact CE3-CG1 4.11Å; W521-V523 HydrophobicContact CG-CG1 3.78Å; W521-V523 HydrophobicContact CZ2-CG1 4.09Å; W521-V523 PolarHBondContact O-N 3.24Å; W521-V523 VanDerWaalsContact O-N 3.11Å; W521-L524 HydrophobicContact CB-CD1 4.13Å; W521-L524 HydrophobicContact CB-CG 4.08Å; W521-L524 HydrophobicContact CD2-CG 4.4Å; W521-L524 HydrophobicContact CE3-CD1 4.03Å; W521-L524 HydrophobicContact CE3-CD2 4.25Å; W521-L524 HydrophobicContact CE3-CG 3.97Å; W521-L524 HydrophobicContact CG-CG 4.46Å; W521-L524 PolarHBondContact O-N 2.89Å; W521-A611 HydrophobicContact CH2-CB 3.79Å; W521-A611 HydrophobicContact CZ2-CB 4.32Å; W521-A611 HydrophobicContact CZ3-CB 4.09Å; W521-L614 HydrophobicContact CE3-CD1 4.3Å; W521-L614 HydrophobicContact CZ3-CD1 3.82Å; W521-M625 HydrophobicContact CZ2-CE 3.93Å; W521-M625 HydrophobicContact CZ2-SD 3.67Å; W521-N717 VanDerWaalsContact CD1-OD1 3.23Å; W521-N717 PolarHBondContact NE1-O 2.98Å; W521-N717 PolarHBondContact NE1-OD1 3.44Å; W521-Q720 HydrophobicContact CB-CB 3.83Å; W521-Q720 HydrophobicContact CB-CG 4.23Å; W521-Q720 VanDerWaalsContact CD1-CB 3.41Å; W521-Q720 HydrophobicContact CD2-CB 4.36Å; W521-Q720 HydrophobicContact CG-CB 3.63Å; W521-Q720 HydrophobicContact CG-CG 4.46Å; W521-W721 HydrophobicContact CH2-CE3 4.08Å; W521-W721 HydrophobicContact CZ2-CB 4.07Å; W521-W721 HydrophobicContact CZ2-CE3 4.2Å; W521-V724 HydrophobicContact CD2-CG2 4.47Å; W521-V724 HydrophobicContact CE3-CG2 3.8Å; W521-V724 HydrophobicContact CH2-CB 4.45Å; W521-V724 HydrophobicContact CH2-CG1 4.32Å; W521-V724 HydrophobicContact CH2-CG2 4.38Å; W521-V724 HydrophobicContact CZ3-CB 4.23Å; W521-V724 HydrophobicContact CZ3-CG1 4.05Å; W521-V724 HydrophobicContact CZ3-CG2 3.76Å
522	P	97.2	Very high	93	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-53.9	-39.5	-169.9	-26.6	31.3	0	0	0	114.2	R520 L524 G525 W534 R713 A716 N717	R520-P522 WeakPolarHBondContact O-CD 3.33Å; P522-L524 PolarHBondContact O-N 2.92Å; P522-G525 PolarHBondContact O-N 3.05Å; P522-G525 VanDerWaalsContact O-N 3.09Å; P522-W534 HydrophobicContact CB-CB 4.06Å; P522-W534 HydrophobicContact CB-CD2 4.04Å; P522-W534 HydrophobicContact CB-CE3 4.11Å; P522-W534 HydrophobicContact CB-CG 4.03Å; P522-W534 HydrophobicContact CG-CB 4.16Å; P522-W534 HydrophobicContact CG-CD2 3.64Å; P522-W534 HydrophobicContact CG-CE3 4.1Å; P522-W534 HydrophobicContact CG-CG 3.66Å; P522-R713 HydrophobicContact CB-CG 3.63Å; P522-R713 HydrophobicContact CG-CG 4.13Å; P522-R713 PolarHBondContact O-NH2 2.81Å; P522-A716 HydrophobicContact CG-CB 3.69Å; P522-N717 WeakPolarHBondContact CD-OD1 3.01Å
523	V	97.4	Very high	92.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.8	-28.6	179.5	73.9	0	0	0	0	114.1	W521 A611 A616 A621 Q624 M625 N717	W521-V523 HydrophobicContact CD2-CG1 3.56Å; W521-V523 HydrophobicContact CE3-CG1 4.11Å; W521-V523 HydrophobicContact CG-CG1 3.78Å; W521-V523 HydrophobicContact CZ2-CG1 4.09Å; W521-V523 PolarHBondContact O-N 3.24Å; W521-V523 VanDerWaalsContact O-N 3.11Å; V523-A611 HydrophobicContact CG1-CB 4.03Å; V523-A611 HydrophobicContact CG2-CB 4.47Å; V523-A616 HydrophobicContact CG1-CB 4.49Å; V523-A616 HydrophobicContact CG2-CB 3.9Å; V523-A621 HydrophobicContact CG2-CB 4.24Å; V523-Q624 HydrophobicContact CG2-CB 4.21Å; V523-M625 HydrophobicContact CB-CE 4.29Å; V523-M625 HydrophobicContact CG1-CE 4.24Å; V523-M625 HydrophobicContact CG2-CE 4.48Å; V523-N717 PolarHBondContact N-OD1 3.27Å; V523-N717 VanDerWaalsContact N-OD1 3.14Å
524	L	97.1	Very high	92.8	Very high	1 Å²	1	49 Å²	49	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-78.1	-28.7	178.2	-61	-174.4	0	0	0	112.6	L511 L514 W521 P522 D526 G527 L528 L614 A616	L511-L524 HydrophobicContact CD2-CD1 4.24Å; L514-L524 HydrophobicContact CB-CD1 4.34Å; L514-L524 HydrophobicContact CD1-CD1 3.56Å; W521-L524 HydrophobicContact CB-CD1 4.13Å; W521-L524 HydrophobicContact CB-CG 4.08Å; W521-L524 HydrophobicContact CD2-CG 4.4Å; W521-L524 HydrophobicContact CE3-CD1 4.03Å; W521-L524 HydrophobicContact CE3-CD2 4.25Å; W521-L524 HydrophobicContact CE3-CG 3.97Å; W521-L524 HydrophobicContact CG-CG 4.46Å; W521-L524 PolarHBondContact O-N 2.89Å; P522-L524 PolarHBondContact O-N 2.92Å; L524-D526 PolarHBondContact O-N 3.3Å; L524-G527 PolarHBondContact O-N 3.43Å; L524-L528 HydrophobicContact CB-CD1 4.2Å; L524-L528 HydrophobicContact CD1-CD1 4.5Å; L524-L528 PolarHBondContact O-N 2.72Å; L524-L614 HydrophobicContact CD1-CB 4.24Å; L524-L614 HydrophobicContact CD2-CB 3.74Å; L524-A616 HydrophobicContact CD2-CB 4.05Å
525	G	92.5	Very high	92.7	Very high	4 Å²	4	50.7 Å²	50.7	4%	0.041	26%	0.256	C	S	.	.	H	α-helix	trans	-60.3	-26.7	177.8	0	0	0	0	0	112.9	P522 G527 Y532	P522-G525 PolarHBondContact O-N 3.05Å; P522-G525 VanDerWaalsContact O-N 3.09Å; G525-G527 PolarHBondContact O-N 3.04Å; G525-Y532 WeakPolarHBondContact CA-O 3.35Å
526	D	88.3	Confident	92.7	Very high	70 Å²	70	49.3 Å²	49.3	37%	0.374	26%	0.261	S	S	.	.	H	α-helix	trans	-73.1	-14.1	178.9	-56.8	-20.9	0	0	0	112.9	L524 P617 Q624 R713	L524-D526 PolarHBondContact O-N 3.3Å; D526-P617 HydrophobicContact CB-CG 4.17Å; D526-P617 WeakPolarHBondContact O-CG 3.29Å; D526-Q624 PolarHBondContact OD2-NE2 3.11Å; D526-R713 IonicContact OD1-CZ 3.79Å; D526-R713 IonicContact OD1-NH2 2.71Å; D526-R713 PolarHBondContact OD1-NH2 2.87Å; D526-R713 IonicContact OD2-CZ 3.96Å; D526-R713 IonicContact OD2-NH2 2.81Å; D526-R713 PolarHBondContact OD2-NH2 2.97Å
527	G	89.4	Confident	92.6	Very high	43 Å²	43	50.8 Å²	50.8	44%	0.443	28%	0.279	S	S	.	.	H	α-helix	trans	-122.1	-35.8	-178.5	0	0	0	0	0	115.4	L524 G525	L524-G527 PolarHBondContact O-N 3.43Å; G525-G527 PolarHBondContact O-N 3.04Å
528	L	90.1	Very high	92.6	Very high	61 Å²	61	54.1 Å²	54.1	32%	0.319	29%	0.288	S	S	.	.	H	α-helix	trans	-95.9	3.6	-169.9	-62.8	-177	0	0	0	115.1	L511 L524 Y532 L614	L511-L528 HydrophobicContact CD2-CD1 3.79Å; L524-L528 HydrophobicContact CB-CD1 4.2Å; L524-L528 HydrophobicContact CD1-CD1 4.5Å; L524-L528 PolarHBondContact O-N 2.72Å; L528-Y532 HydrophobicContact CB-CD2 3.35Å; L528-Y532 HydrophobicContact CB-CE2 3.74Å; L528-Y532 HydrophobicContact CB-CG 3.79Å; L528-Y532 HydrophobicContact CD1-CD1 3.95Å; L528-Y532 HydrophobicContact CD1-CD2 3.98Å; L528-Y532 HydrophobicContact CD1-CE1 3.78Å; L528-Y532 HydrophobicContact CD1-CE2 3.83Å; L528-Y532 HydrophobicContact CD1-CG 4Å; L528-Y532 HydrophobicContact CG-CD2 4.35Å; L528-Y532 HydrophobicContact CG-CE2 4.44Å; L528-L614 WeakPolarHBondContact CD1-O 3Å
529	G	85.9	Confident	92.7	Very high	36 Å²	36	54.4 Å²	54.4	37%	0.371	29%	0.287	S	S	.	.			trans	81.3	-165	174.3	0	0	0	0	0	115.2	E531 Y532 Q533	G529-E531 VanDerWaalsContact C-N 3.32Å; G529-E531 PolarHBondContact O-N 2.97Å; G529-Y532 PolarHBondContact O-N 2.69Å; G529-Y532 VanDerWaalsContact O-N 3.13Å; G529-Q533 PolarHBondContact O-N 2.9Å
530	R	86.6	Confident	92.7	Very high	235 Å²	235	57 Å²	57	89%	0.887	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-58.3	-34.5	-164.5	-70	-174.4	-177.8	176.7	1.4	115	Y532 Q533	R530-Y532 PolarHBondContact O-N 2.99Å; R530-Q533 WeakPolarHBondContact O-CB 2.99Å; R530-Q533 PolarHBondContact O-N 3.31Å
531	E	88.8	Confident	92.8	Very high	117 Å²	117	55.8 Å²	55.8	55%	0.547	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-63.7	-26.6	-178.6	-67.8	-172.8	-176.6	0	0	113.2	R515 R520 G529	R515-E531 IonicContact CZ-OE2 2.81Å; R515-E531 IonicContact NE-OE2 2.69Å; R515-E531 IonicContact NH1-OE2 3.71Å; R515-E531 PolarHBondContact NH1-OE2 3.4Å; R520-E531 PolarHBondContact NE-O 2.85Å; G529-E531 VanDerWaalsContact C-N 3.32Å; G529-E531 PolarHBondContact O-N 2.97Å
532	Y	92.6	Very high	92.7	Very high	13 Å²	13	57.2 Å²	57.2	5%	0.051	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-105.6	4	-179.1	-61.6	-95.4	0	0	0	112.5	L511 R515 G525 L528 G529 R530 W534	L511-Y532 HydrophobicContact CD2-CE1 4.15Å; R515-Y532 HydrophobicContact CB-CE1 4.41Å; R515-Y532 HydrophobicContact CG-CD1 3.92Å; R515-Y532 HydrophobicContact CG-CD2 4.48Å; R515-Y532 HydrophobicContact CG-CE1 3.31Å; R515-Y532 HydrophobicContact CG-CE2 3.94Å; R515-Y532 HydrophobicContact CG-CG 4.49Å; R515-Y532 VanDerWaalsContact CZ-OH 3.26Å; R515-Y532 VanDerWaalsContact NE-CZ 3.33Å; R515-Y532 PolarHBondContact NE-OH 2.93Å; R515-Y532 PolarHBondContact NH2-OH 3.42Å; R515-Y532 VanDerWaalsContact NH2-OH 3.17Å; G525-Y532 WeakPolarHBondContact CA-O 3.35Å; L528-Y532 HydrophobicContact CB-CD2 3.35Å; L528-Y532 HydrophobicContact CB-CE2 3.74Å; L528-Y532 HydrophobicContact CB-CG 3.79Å; L528-Y532 HydrophobicContact CD1-CD1 3.95Å; L528-Y532 HydrophobicContact CD1-CD2 3.98Å; L528-Y532 HydrophobicContact CD1-CE1 3.78Å; L528-Y532 HydrophobicContact CD1-CE2 3.83Å; L528-Y532 HydrophobicContact CD1-CG 4Å; L528-Y532 HydrophobicContact CG-CD2 4.35Å; L528-Y532 HydrophobicContact CG-CE2 4.44Å; G529-Y532 PolarHBondContact O-N 2.69Å; G529-Y532 VanDerWaalsContact O-N 3.13Å; R530-Y532 PolarHBondContact O-N 2.99Å; Y532-W534 PolarHBondContact O-N 2.97Å; Y532-W534 VanDerWaalsContact O-N 3.17Å
533	Q	92.8	Very high	92.7	Very high	90 Å²	90	61.7 Å²	61.7	42%	0.421	33%	0.33	S	S	.	.			trans	-63.1	121.8	-178.4	-168	66.6	43.9	0	0	110	R520 G529 R530	R520-Q533 WeakPolarHBondContact CD-O 3.02Å; R520-Q533 PolarHBondContact NH1-O 3.22Å; G529-Q533 PolarHBondContact O-N 2.9Å; R530-Q533 WeakPolarHBondContact O-CB 2.99Å; R530-Q533 PolarHBondContact O-N 3.31Å
534	W	95	Very high	92.6	Very high	12 Å²	12	61.8 Å²	61.8	5%	0.045	33%	0.33	C	S	.	.			trans	-99.2	140	173.8	-177.8	96	0	0	0	110	R520 P522 Y532 P536 W539 R713 A716	R520-W534 HydrophobicContact CB-CB 4.5Å; P522-W534 HydrophobicContact CB-CB 4.06Å; P522-W534 HydrophobicContact CB-CD2 4.04Å; P522-W534 HydrophobicContact CB-CE3 4.11Å; P522-W534 HydrophobicContact CB-CG 4.03Å; P522-W534 HydrophobicContact CG-CB 4.16Å; P522-W534 HydrophobicContact CG-CD2 3.64Å; P522-W534 HydrophobicContact CG-CE3 4.1Å; P522-W534 HydrophobicContact CG-CG 3.66Å; Y532-W534 PolarHBondContact O-N 2.97Å; Y532-W534 VanDerWaalsContact O-N 3.17Å; W534-P536 HydrophobicContact CE3-CG 4.49Å; W534-P536 HydrophobicContact CH2-CB 4.04Å; W534-P536 HydrophobicContact CH2-CG 3.79Å; W534-P536 HydrophobicContact CZ3-CB 4.28Å; W534-P536 VanDerWaalsContact CZ3-CD 3.45Å; W534-P536 HydrophobicContact CZ3-CG 3.55Å; W534-W539 AromaticContact CE2-CG 3.8Å; W534-W539 HydrophobicContact CZ2-CB 3.73Å; W534-W539 AromaticContact CZ2-CD2 3.74Å; W534-W539 HydrophobicContact CZ2-CD2 3.74Å; W534-W539 AromaticContact CZ2-CE3 3.74Å; W534-W539 HydrophobicContact CZ2-CE3 3.74Å; W534-W539 AromaticContact CZ2-CG 3.75Å; W534-W539 HydrophobicContact CZ2-CG 3.75Å; W534-W539 AromaticContact NE1-CD1 3.47Å; W534-W539 AromaticContact NE1-CG 3.34Å; W534-W539 VanDerWaalsContact NE1-CG 3.34Å; W534-R713 HydrophobicContact CE3-CB 4.46Å; W534-R713 HydrophobicContact CE3-CG 4.14Å; W534-R713 HydrophobicContact CH2-CB 3.97Å; W534-R713 HydrophobicContact CH2-CG 4.46Å; W534-R713 HydrophobicContact CZ3-CB 3.65Å; W534-R713 HydrophobicContact CZ3-CG 3.82Å; W534-A716 HydrophobicContact CH2-CB 4.44Å; W534-A716 HydrophobicContact CZ2-CB 3.61Å
535	S	93.1	Very high	92.6	Very high	36 Å²	36	62 Å²	62	25%	0.252	33%	0.332	S	S	.	.			trans	-132.6	135.6	176.1	176.7	0	0	0	0	110.4	S537 Q538 W539	S535-S537 PolarHBondContact O-N 2.79Å; S535-S537 PolarHBondContact OG-N 3.1Å; S535-S537 PolarHBondContact OG-OG 3.03Å; S535-Q538 PolarHBondContact O-N 3.43Å; S535-W539 PolarHBondContact O-N 2.97Å
536	P	93.8	Very high	92.7	Very high	76 Å²	76	62 Å²	62	49%	0.494	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-36.7	174.2	-23.5	31	0	0	0	113.6	W534 Q538 W539	W534-P536 HydrophobicContact CE3-CG 4.49Å; W534-P536 HydrophobicContact CH2-CB 4.04Å; W534-P536 HydrophobicContact CH2-CG 3.79Å; W534-P536 HydrophobicContact CZ3-CB 4.28Å; W534-P536 VanDerWaalsContact CZ3-CD 3.45Å; W534-P536 HydrophobicContact CZ3-CG 3.55Å; P536-Q538 VanDerWaalsContact C-N 3.31Å; P536-Q538 PolarHBondContact O-N 3.44Å; P536-W539 PolarHBondContact O-N 3.41Å
537	S	92.9	Very high	93	Very high	105 Å²	105	61 Å²	61	73%	0.734	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-21.7	-175.8	57.8	0	0	0	0	114.2	S535	S535-S537 PolarHBondContact O-N 2.79Å; S535-S537 PolarHBondContact OG-N 3.1Å; S535-S537 PolarHBondContact OG-OG 3.03Å
538	Q	90.6	Very high	93.2	Very high	149 Å²	149	59 Å²	59	70%	0.696	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-9.7	-179.5	-65.4	-179.7	-10.4	0	0	112.1	S535 P536	S535-Q538 PolarHBondContact O-N 3.43Å; P536-Q538 VanDerWaalsContact C-N 3.31Å; P536-Q538 PolarHBondContact O-N 3.44Å
539	W	95.3	Very high	93.4	Very high	41 Å²	41	56.7 Å²	56.7	16%	0.155	29%	0.29	C	S	.	.			trans	-92.6	130	-175.6	-179	62.6	0	0	0	111.3	W534 S535 P536 L541 T544 V715 A716 I719	W534-W539 AromaticContact CE2-CG 3.8Å; W534-W539 HydrophobicContact CZ2-CB 3.73Å; W534-W539 AromaticContact CZ2-CD2 3.74Å; W534-W539 HydrophobicContact CZ2-CD2 3.74Å; W534-W539 AromaticContact CZ2-CE3 3.74Å; W534-W539 HydrophobicContact CZ2-CE3 3.74Å; W534-W539 AromaticContact CZ2-CG 3.75Å; W534-W539 HydrophobicContact CZ2-CG 3.75Å; W534-W539 AromaticContact NE1-CD1 3.47Å; W534-W539 AromaticContact NE1-CG 3.34Å; W534-W539 VanDerWaalsContact NE1-CG 3.34Å; S535-W539 PolarHBondContact O-N 2.97Å; P536-W539 PolarHBondContact O-N 3.41Å; W539-L541 HydrophobicContact CH2-CB 3.84Å; W539-L541 HydrophobicContact CH2-CD1 3.78Å; W539-L541 HydrophobicContact CH2-CG 4.34Å; W539-L541 HydrophobicContact CZ2-CB 4.08Å; W539-L541 HydrophobicContact CZ2-CD1 3.88Å; W539-L541 HydrophobicContact CZ3-CB 4.23Å; W539-T544 PolarHBondContact NE1-OG1 2.75Å; W539-V715 HydrophobicContact CH2-CB 4.27Å; W539-V715 HydrophobicContact CH2-CG1 3.98Å; W539-A716 HydrophobicContact CD2-CB 4.2Å; W539-A716 HydrophobicContact CE3-CB 4.47Å; W539-A716 HydrophobicContact CH2-CB 4.12Å; W539-A716 HydrophobicContact CZ2-CB 3.87Å; W539-A716 HydrophobicContact CZ3-CB 4.43Å; W539-I719 HydrophobicContact CH2-CD1 4.27Å; W539-I719 HydrophobicContact CZ2-CD1 3.94Å
540	S	95.8	Very high	93.7	Very high	55 Å²	55	56 Å²	56	39%	0.385	28%	0.278	S	S	.	.			trans	-115.3	112.6	172.9	172.7	0	0	0	0	109.4	L542 K543 T544	S540-L542 VanDerWaalsContact C-N 3.29Å; S540-L542 PolarHBondContact O-N 3.2Å; S540-K543 PolarHBondContact O-N 2.81Å; S540-K543 PolarHBondContact OG-N 3.01Å; S540-T544 PolarHBondContact O-N 3.04Å; S540-T544 PolarHBondContact O-OG1 3.3Å
541	L	96.1	Very high	93.8	Very high	26 Å²	26	47.3 Å²	47.3	14%	0.136	25%	0.247	C	C	.	.	H	α-helix	trans	-53.6	-48.4	175.2	172.7	61.7	0	0	0	111.2	W539 K543 T544 L545 L557 F666 I707 V715 I719	W539-L541 HydrophobicContact CH2-CB 3.84Å; W539-L541 HydrophobicContact CH2-CD1 3.78Å; W539-L541 HydrophobicContact CH2-CG 4.34Å; W539-L541 HydrophobicContact CZ2-CB 4.08Å; W539-L541 HydrophobicContact CZ2-CD1 3.88Å; W539-L541 HydrophobicContact CZ3-CB 4.23Å; L541-K543 PolarHBondContact O-N 3.38Å; L541-T544 PolarHBondContact O-N 2.99Å; L541-L545 HydrophobicContact CD1-CD1 3.89Å; L541-L545 HydrophobicContact CD1-CD2 4.36Å; L541-L545 HydrophobicContact CD1-CG 3.89Å; L541-L545 HydrophobicContact CG-CD1 4.15Å; L541-L545 HydrophobicContact CG-CG 4.43Å; L541-L545 WeakPolarHBondContact O-CG 3.36Å; L541-L545 PolarHBondContact O-N 2.93Å; L541-L557 HydrophobicContact CD1-CD1 4.4Å; L541-F666 HydrophobicContact CD2-CE2 4.37Å; L541-F666 HydrophobicContact CG-CE2 4.39Å; L541-I707 HydrophobicContact CD2-CD1 4.19Å; L541-I707 HydrophobicContact CD2-CG2 3.94Å; L541-V715 HydrophobicContact CD1-CG1 4.46Å; L541-I719 HydrophobicContact CD1-CD1 3.26Å
542	L	96.2	Very high	93.9	Very high	32 Å²	32	41.9 Å²	41.9	17%	0.168	22%	0.222	C	C	.	.	H	α-helix	trans	-57.9	-50.4	-179.3	-179.5	159.6	0	0	0	111.4	S540 L545 A546 F666 D667 F671 A674	S540-L542 VanDerWaalsContact C-N 3.29Å; S540-L542 PolarHBondContact O-N 3.2Å; L542-L545 PolarHBondContact O-N 3.25Å; L542-A546 WeakPolarHBondContact O-CB 3.36Å; L542-A546 PolarHBondContact O-N 3.22Å; L542-F666 HydrophobicContact CB-CE2 4.12Å; L542-F666 HydrophobicContact CB-CZ 4.24Å; L542-F666 HydrophobicContact CG-CZ 4.28Å; L542-D667 HydrophobicContact CD1-CB 3.67Å; L542-D667 WeakPolarHBondContact CD1-O 3.27Å; L542-F671 HydrophobicContact CD1-CB 4.07Å; L542-F671 HydrophobicContact CG-CB 3.92Å; L542-F671 HydrophobicContact CG-CD2 4.42Å; L542-A674 HydrophobicContact CD2-CB 4.31Å
543	K	95.6	Very high	93.9	Very high	94 Å²	94	43.2 Å²	43.2	41%	0.409	23%	0.233	S	C	.	.	H	α-helix	trans	-64	-44.2	-178.6	-166.2	-177.2	-176.2	-168.9	0	110.8	E518 S540 L541 L545 A546 E547	E518-K543 HydrophobicContact CG-CD 3.87Å; E518-K543 HydrophobicContact CG-CG 4.06Å; E518-K543 WeakPolarHBondContact OE1-CE 3.38Å; E518-K543 IonicContact OE1-NZ 3.71Å; E518-K543 PolarHBondContact OE1-NZ 3.14Å; S540-K543 PolarHBondContact O-N 2.81Å; S540-K543 PolarHBondContact OG-N 3.01Å; L541-K543 PolarHBondContact O-N 3.38Å; K543-L545 PolarHBondContact O-N 3.12Å; K543-A546 PolarHBondContact O-N 3Å; K543-E547 HydrophobicContact CG-CG 4.26Å; K543-E547 WeakPolarHBondContact O-CB 3.47Å; K543-E547 WeakPolarHBondContact O-CG 3.46Å; K543-E547 PolarHBondContact O-N 3.3Å
544	T	96.4	Very high	93.8	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-59	-47.4	176.1	-68.1	0	0	0	0	111.5	E518 W539 S540 L541 A546 E547 M548 I719	E518-T544 VanDerWaalsContact O-CG2 3.31Å; E518-T544 WeakPolarHBondContact O-CG2 3.36Å; E518-T544 PolarHBondContact O-OG1 3.47Å; W539-T544 PolarHBondContact NE1-OG1 2.75Å; S540-T544 PolarHBondContact O-N 3.04Å; S540-T544 PolarHBondContact O-OG1 3.3Å; L541-T544 PolarHBondContact O-N 2.99Å; T544-A546 VanDerWaalsContact C-N 3.34Å; T544-A546 PolarHBondContact O-N 3.49Å; T544-E547 PolarHBondContact O-N 3.04Å; T544-M548 HydrophobicContact CG2-CG 4.41Å; T544-M548 HydrophobicContact CG2-SD 4.24Å; T544-M548 WeakPolarHBondContact O-CB 3.3Å; T544-M548 VanDerWaalsContact O-CG 3.25Å; T544-M548 WeakPolarHBondContact O-CG 3.29Å; T544-M548 PolarHBondContact O-N 3.42Å; T544-I719 HydrophobicContact CG2-CG2 3.7Å
545	L	96.9	Very high	93.8	Very high	7 Å²	7	41.9 Å²	41.9	4%	0.037	23%	0.229	C	C	.	.	H	α-helix	trans	-63.4	-40.1	179	-67.8	-176.7	0	0	0	112.2	L541 L542 K543 R549 V556 I558 F666 F671 I719	L541-L545 HydrophobicContact CD1-CD1 3.89Å; L541-L545 HydrophobicContact CD1-CD2 4.36Å; L541-L545 HydrophobicContact CD1-CG 3.89Å; L541-L545 HydrophobicContact CG-CD1 4.15Å; L541-L545 HydrophobicContact CG-CG 4.43Å; L541-L545 WeakPolarHBondContact O-CG 3.36Å; L541-L545 PolarHBondContact O-N 2.93Å; L542-L545 PolarHBondContact O-N 3.25Å; K543-L545 PolarHBondContact O-N 3.12Å; L545-R549 PolarHBondContact O-N 3.11Å; L545-R549 VanDerWaalsContact O-N 3.12Å; L545-V556 HydrophobicContact CD2-CB 4.31Å; L545-V556 VanDerWaalsContact CD2-O 3.29Å; L545-V556 WeakPolarHBondContact CD2-O 3.33Å; L545-I558 HydrophobicContact CD1-CD1 4.27Å; L545-F666 HydrophobicContact CD1-CZ 4.41Å; L545-F671 HydrophobicContact CB-CD2 4.42Å; L545-F671 HydrophobicContact CB-CE2 3.78Å; L545-I719 HydrophobicContact CD2-CD1 4.12Å; L545-I719 HydrophobicContact CD2-CG1 4.43Å; L545-I719 HydrophobicContact CD2-CG2 4.37Å
546	A	95.8	Very high	94	Very high	2 Å²	2	40.3 Å²	40.3	2%	0.017	22%	0.218	C	C	.	.	H	α-helix	trans	-66	-47.7	177.7	0	0	0	0	0	111.8	L542 K543 T544 M548 R549 N550 F671 A674 V675	L542-A546 WeakPolarHBondContact O-CB 3.36Å; L542-A546 PolarHBondContact O-N 3.22Å; K543-A546 PolarHBondContact O-N 3Å; T544-A546 VanDerWaalsContact C-N 3.34Å; T544-A546 PolarHBondContact O-N 3.49Å; A546-M548 VanDerWaalsContact C-N 3.34Å; A546-M548 PolarHBondContact O-N 3.33Å; A546-R549 PolarHBondContact O-N 3.02Å; A546-R549 VanDerWaalsContact O-N 3.14Å; A546-N550 WeakPolarHBondContact O-CB 3.35Å; A546-N550 VanDerWaalsContact O-CG 3.23Å; A546-N550 PolarHBondContact O-N 2.9Å; A546-N550 PolarHBondContact O-ND2 3.43Å; A546-F671 HydrophobicContact CB-CD2 4.29Å; A546-F671 HydrophobicContact CB-CE2 4.34Å; A546-A674 HydrophobicContact CB-CB 3.56Å; A546-V675 HydrophobicContact CB-CG2 3.86Å
547	E	94	Very high	94.1	Very high	51 Å²	51	36.9 Å²	36.9	24%	0.238	20%	0.196	C	C	.	.	H	α-helix	trans	-66.4	-34.8	178.6	-68	-61.5	166.5	0	0	112.5	E518 F519 K543 T544 R549 N550 Q551	E518-E547 HydrophobicContact CB-CB 4.46Å; E518-E547 HydrophobicContact CB-CG 4.46Å; E518-E547 HydrophobicContact CG-CG 4.16Å; F519-E547 HydrophobicContact CE1-CB 4.19Å; F519-E547 HydrophobicContact CZ-CB 3.8Å; K543-E547 HydrophobicContact CG-CG 4.26Å; K543-E547 WeakPolarHBondContact O-CB 3.47Å; K543-E547 WeakPolarHBondContact O-CG 3.46Å; K543-E547 PolarHBondContact O-N 3.3Å; T544-E547 PolarHBondContact O-N 3.04Å; E547-R549 VanDerWaalsContact C-N 3.33Å; E547-R549 PolarHBondContact O-N 3.13Å; E547-N550 PolarHBondContact O-N 3.29Å; E547-Q551 WeakPolarHBondContact O-CB 3.23Å; E547-Q551 PolarHBondContact O-N 3.19Å; E547-Q551 PolarHBondContact OE2-NE2 3.28Å
548	M	93.6	Very high	94.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.3	-44	170.8	-77.9	-171.5	71.6	0	0	112.1	F519 T544 A546 H552 K554 V556 I719 T723	F519-M548 HydrophobicContact CD1-CG 4.26Å; F519-M548 HydrophobicContact CE1-CG 3.77Å; T544-M548 HydrophobicContact CG2-CG 4.41Å; T544-M548 HydrophobicContact CG2-SD 4.24Å; T544-M548 WeakPolarHBondContact O-CB 3.3Å; T544-M548 VanDerWaalsContact O-CG 3.25Å; T544-M548 WeakPolarHBondContact O-CG 3.29Å; T544-M548 PolarHBondContact O-N 3.42Å; A546-M548 VanDerWaalsContact C-N 3.34Å; A546-M548 PolarHBondContact O-N 3.33Å; M548-H552 WeakPolarHBondContact O-CA 3.37Å; M548-H552 WeakPolarHBondContact O-CB 3.48Å; M548-H552 PolarHBondContact O-N 3.16Å; M548-K554 CarbonylContact C-O 3.57Å; M548-K554 PolarHBondContact O-N 3.46Å; M548-V556 HydrophobicContact CE-CB 4.43Å; M548-V556 HydrophobicContact CE-CG2 3.43Å; M548-V556 VanDerWaalsContact CE-CG2 3.43Å; M548-V556 HydrophobicContact SD-CG2 4.24Å; M548-I719 HydrophobicContact CE-CG2 4.48Å; M548-I719 HydrophobicContact SD-CG2 3.3Å; M548-I719 WeakPolarHBondContact SD-CG2 3.45Å; M548-T723 HydrophobicContact CE-CG2 4.42Å; M548-T723 WeakPolarHBondContact CE-OG1 3.39Å; M548-T723 PolarHBondContact SD-OG1 3.42Å
549	R	93.6	Very high	94.7	Very high	13 Å²	13	30.6 Å²	30.6	5%	0.049	15%	0.15	C	C	.	.	H	α-helix	trans	-66.4	-40.5	177.1	177.9	59.1	-174.9	73.7	1.9	111.6	L545 A546 E547 S553 K554 L560 V675 A867 D870	L545-R549 PolarHBondContact O-N 3.11Å; L545-R549 VanDerWaalsContact O-N 3.12Å; A546-R549 PolarHBondContact O-N 3.02Å; A546-R549 VanDerWaalsContact O-N 3.14Å; E547-R549 VanDerWaalsContact C-N 3.33Å; E547-R549 PolarHBondContact O-N 3.13Å; R549-S553 PolarHBondContact O-N 3.38Å; R549-K554 WeakPolarHBondContact CA-O 3.41Å; R549-K554 PolarHBondContact N-O 2.93Å; R549-L560 PolarHBondContact NE-O 3.04Å; R549-L560 VanDerWaalsContact NE-O 3.12Å; R549-V675 HydrophobicContact CB-CG2 4.3Å; R549-V675 HydrophobicContact CG-CG1 3.67Å; R549-V675 HydrophobicContact CG-CG2 4.29Å; R549-A867 VanDerWaalsContact NH1-CA 3.25Å; R549-A867 PolarHBondContact NH1-O 3.18Å; R549-A867 PolarHBondContact NH2-O 2.99Å; R549-A867 WeakPolarHBondContact O-CB 3.41Å; R549-D870 IonicContact CZ-OD1 3.89Å; R549-D870 IonicContact NH2-OD1 2.71Å; R549-D870 PolarHBondContact NH2-OD1 3.27Å; R549-D870 IonicContact NH2-OD2 3.36Å; R549-D870 PolarHBondContact NH2-OD2 2.76Å
550	N	91.6	Very high	94.8	Very high	21 Å²	21	28.7 Å²	28.7	11%	0.112	14%	0.143	C	C	.	.	H	α-helix	trans	-79.3	-35.8	-174.5	-70.4	-11.5	0	0	0	114.1	A546 E547 A674 V675 A867	A546-N550 WeakPolarHBondContact O-CB 3.35Å; A546-N550 VanDerWaalsContact O-CG 3.23Å; A546-N550 PolarHBondContact O-N 2.9Å; A546-N550 PolarHBondContact O-ND2 3.43Å; E547-N550 PolarHBondContact O-N 3.29Å; N550-A674 PolarHBondContact ND2-O 3.04Å; N550-V675 WeakPolarHBondContact OD1-CA 3.4Å; N550-V675 PolarHBondContact OD1-O 3.19Å; N550-A867 VanDerWaalsContact O-CB 3.25Å; N550-A867 WeakPolarHBondContact O-CB 3.11Å
551	Q	89.5	Confident	94.8	Very high	52 Å²	52	28 Å²	28	24%	0.243	13%	0.132	C	C	.	.	H	α-helix	trans	-101.1	-27.4	-174.8	-59.2	-170.8	39.9	0	0	113.2	F519 E547 M860	F519-Q551 HydrophobicContact CZ-CB 4.41Å; E547-Q551 WeakPolarHBondContact O-CB 3.23Å; E547-Q551 PolarHBondContact O-N 3.19Å; E547-Q551 PolarHBondContact OE2-NE2 3.28Å; Q551-M860 WeakPolarHBondContact O-CE 3.42Å
552	H	90.6	Very high	94.8	Very high	3 Å²	3	27.2 Å²	27.2	1%	0.014	13%	0.128	C	C	.	.	H	α-helix	trans	-116.4	0.2	-172.9	-56.6	-89.8	0	0	0	113.8	M513 F519 M548 K554 M860	M513-H552 PolarHBondContact SD-CE1 2.97Å; F519-H552 AromaticContact CE1-CD2 3.73Å; F519-H552 AromaticContact CE1-NE2 3.54Å; F519-H552 AromaticContact CE2-NE2 3.58Å; F519-H552 AromaticContact CZ-CD2 3.63Å; F519-H552 AromaticContact CZ-NE2 3.23Å; F519-H552 WeakPolarHBondContact CZ-NE2 3.46Å; M548-H552 WeakPolarHBondContact O-CA 3.37Å; M548-H552 WeakPolarHBondContact O-CB 3.48Å; M548-H552 PolarHBondContact O-N 3.16Å; H552-K554 HydrophobicContact CB-CB 4.31Å; H552-K554 PolarHBondContact O-N 2.9Å; H552-K554 VanDerWaalsContact O-N 3.12Å; H552-M860 WeakPolarHBondContact CE1-CE 3.3Å; H552-M860 WeakPolarHBondContact ND1-CE 3.49Å
553	S	92.1	Very high	94.8	Very high	41 Å²	41	26.7 Å²	26.7	29%	0.287	13%	0.127	S	C	.	.			trans	48.8	35.6	-172.3	-160.4	0	0	0	0	112.5	R549 L863	R549-S553 PolarHBondContact O-N 3.38Å; S553-L863 WeakPolarHBondContact CB-O 3.19Å
554	K	92.6	Very high	94.8	Very high	52 Å²	52	23.1 Å²	23.1	23%	0.226	11%	0.114	C	C	.	.			trans	-123.2	127.3	-176.6	-168.9	66.3	177.8	-178.9	0	110.7	M548 R549 H552 V556	M548-K554 CarbonylContact C-O 3.57Å; M548-K554 PolarHBondContact O-N 3.46Å; R549-K554 WeakPolarHBondContact CA-O 3.41Å; R549-K554 PolarHBondContact N-O 2.93Å; H552-K554 HydrophobicContact CB-CB 4.31Å; H552-K554 PolarHBondContact O-N 2.9Å; H552-K554 VanDerWaalsContact O-N 3.12Å; K554-V556 HydrophobicContact CG-CG2 4.25Å
555	S	94.6	Very high	94.9	Very high	23 Å²	23	23.5 Å²	23.5	16%	0.161	12%	0.116	C	C	.	.			trans	-98.1	133.4	171.2	-65.9	0	0	0	0	110.5	I558	S555-I558 WeakPolarHBondContact CB-O 3.4Å
556	V	96.1	Very high	94.8	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.018	12%	0.117	C	C	.	.	S	Bend	trans	-132.8	135.4	176.1	-174.2	0	0	0	0	107.7	L545 M548 K554 I558 Y718 I719 R722	L545-V556 HydrophobicContact CD2-CB 4.31Å; L545-V556 VanDerWaalsContact CD2-O 3.29Å; L545-V556 WeakPolarHBondContact CD2-O 3.33Å; M548-V556 HydrophobicContact CE-CB 4.43Å; M548-V556 HydrophobicContact CE-CG2 3.43Å; M548-V556 VanDerWaalsContact CE-CG2 3.43Å; M548-V556 HydrophobicContact SD-CG2 4.24Å; K554-V556 HydrophobicContact CG-CG2 4.25Å; V556-I558 PolarHBondContact O-N 2.53Å; V556-Y718 HydrophobicContact CG1-CD1 4.39Å; V556-Y718 HydrophobicContact CG1-CE1 3.78Å; V556-I719 HydrophobicContact CG1-CG1 4.21Å; V556-R722 HydrophobicContact CG1-CB 3.99Å; V556-R722 HydrophobicContact CG1-CG 3.84Å; V556-R722 HydrophobicContact CG2-CB 3.65Å; V556-R722 HydrophobicContact CG2-CG 4.35Å
557	L	97.3	Very high	94.8	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	14%	0.141	C	C	.	.	S	Bend	trans	63.3	-51.8	-170.7	-50.5	177.5	0	0	0	114.6	L541 F631 I635 Y699 L703 I707 Y718 I719	L541-L557 HydrophobicContact CD1-CD1 4.4Å; L557-F631 HydrophobicContact CD2-CE1 4.27Å; L557-I635 HydrophobicContact CD2-CD1 3.39Å; L557-I635 HydrophobicContact CD2-CG1 4.45Å; L557-Y699 VanDerWaalsContact O-CE1 3.29Å; L557-Y699 WeakPolarHBondContact O-CE1 3.43Å; L557-Y699 PolarHBondContact O-OH 3.15Å; L557-L703 HydrophobicContact CB-CD1 4.46Å; L557-L703 HydrophobicContact CB-CD2 4.02Å; L557-L703 HydrophobicContact CD2-CD1 4.06Å; L557-I707 HydrophobicContact CD1-CD1 3.94Å; L557-Y718 HydrophobicContact CD2-CD1 4.09Å; L557-Y718 HydrophobicContact CD2-CE1 3.58Å; L557-Y718 HydrophobicContact CG-CE1 4.39Å; L557-I719 HydrophobicContact CD1-CD1 4Å; L557-I719 HydrophobicContact CD1-CG1 4.22Å
558	I	97.7	Very high	94.9	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.026	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	122.3	-177.7	-52.6	174.8	0	0	0	108.4	L545 S555 V556 L576 F666 W668 F671 F700 L703 M704	L545-I558 HydrophobicContact CD1-CD1 4.27Å; S555-I558 WeakPolarHBondContact CB-O 3.4Å; V556-I558 PolarHBondContact O-N 2.53Å; I558-L576 HydrophobicContact CG2-CD2 4.31Å; I558-F666 HydrophobicContact CD1-CD1 4.29Å; I558-F666 HydrophobicContact CD1-CE1 3.78Å; I558-F666 HydrophobicContact CD1-CZ 3.94Å; I558-W668 HydrophobicContact CD1-CH2 4.14Å; I558-W668 HydrophobicContact CD1-CZ3 3.99Å; I558-W668 HydrophobicContact CG2-CZ3 4.36Å; I558-F671 HydrophobicContact CB-CE1 4.47Å; I558-F671 HydrophobicContact CB-CZ 4.5Å; I558-F671 HydrophobicContact CG2-CE1 3.86Å; I558-F671 HydrophobicContact CG2-CZ 4.32Å; I558-F700 HydrophobicContact CB-CE1 4.23Å; I558-F700 HydrophobicContact CG1-CD1 4.39Å; I558-F700 HydrophobicContact CG1-CE1 3.96Å; I558-F700 HydrophobicContact CG2-CE1 3.91Å; I558-F700 HydrophobicContact CG2-CZ 4.15Å; I558-L703 HydrophobicContact CG1-CD2 4.3Å; I558-M704 HydrophobicContact CD1-CE 3.91Å
559	R	97.5	Very high	95	Very high	118 Å²	118	30.1 Å²	30.1	45%	0.445	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	116.5	171.3	-175.2	-175.5	173.5	179.8	-0.9	109.5	Y561 L576 D577	R559-Y561 HydrophobicContact CG-CD1 4.03Å; R559-L576 CarbonylContact O-C 3.3Å; R559-L576 WeakPolarHBondContact O-CA 3.45Å; R559-D577 HydrophobicContact CB-CB 4.37Å; R559-D577 PolarHBondContact N-O 3.19Å; R559-D577 PolarHBondContact O-N 2.73Å
560	L	96.7	Very high	95.2	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.3	171.5	-172.6	163.3	0	0	0	108.8	R549 I574 K575 L576 F671 V672 V675 V676	R549-L560 PolarHBondContact NE-O 3.04Å; R549-L560 VanDerWaalsContact NE-O 3.12Å; L560-I574 HydrophobicContact CD1-CG2 4.28Å; L560-I574 HydrophobicContact CD2-CG2 4.13Å; L560-I574 HydrophobicContact CG-CG2 3.95Å; L560-K575 WeakPolarHBondContact CA-O 3.15Å; L560-L576 HydrophobicContact CB-CD2 3.91Å; L560-L576 HydrophobicContact CD1-CD2 3.91Å; L560-L576 HydrophobicContact CG-CD2 3.83Å; L560-F671 HydrophobicContact CB-CE1 4.23Å; L560-F671 HydrophobicContact CD1-CD1 4.34Å; L560-F671 HydrophobicContact CD1-CE1 3.87Å; L560-V672 HydrophobicContact CD1-CB 4.44Å; L560-V672 HydrophobicContact CD1-CG1 4.49Å; L560-V672 HydrophobicContact CD1-CG2 3.9Å; L560-V675 HydrophobicContact CD1-CB 4.1Å; L560-V675 HydrophobicContact CD1-CG1 4.09Å; L560-V675 HydrophobicContact CD1-CG2 4.4Å; L560-V675 HydrophobicContact CD2-CG1 3.82Å; L560-V675 HydrophobicContact CG-CG1 4.43Å; L560-V676 HydrophobicContact CD1-CG2 4.48Å; L560-V676 HydrophobicContact CD2-CG2 4.13Å
561	Y	96.4	Very high	95.4	Very high	39 Å²	39	37.4 Å²	37.4	15%	0.153	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	161.5	174.1	65	-77.3	0	0	0	110.8	R559 S563 K575 D577 R695 D870	R559-Y561 HydrophobicContact CG-CD1 4.03Å; Y561-S563 VanDerWaalsContact CE2-OG 3.29Å; Y561-S563 WeakPolarHBondContact CE2-OG 3.38Å; Y561-K575 HydrophobicContact CD1-CB 4.27Å; Y561-K575 HydrophobicContact CD2-CB 4.49Å; Y561-K575 HydrophobicContact CE1-CB 3.78Å; Y561-K575 HydrophobicContact CE2-CB 4.03Å; Y561-K575 HydrophobicContact CE2-CD 4.09Å; Y561-K575 HydrophobicContact CE2-CG 4.34Å; Y561-K575 PolarHBondContact N-O 3.11Å; Y561-K575 VanDerWaalsContact N-O 3.16Å; Y561-K575 PolarHBondContact O-N 3.23Å; Y561-D577 HydrophobicContact CE1-CB 4.24Å; Y561-R695 WeakPolarHBondContact OH-CD 3.49Å; Y561-D870 VanDerWaalsContact CA-OD2 3.28Å; Y561-D870 WeakPolarHBondContact CA-OD2 3.22Å; Y561-D870 WeakPolarHBondContact CB-OD2 3.42Å
562	V	96.1	Very high	95.7	Very high	11 Å²	11	36.4 Å²	36.4	7%	0.067	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.5	175.7	175.4	0	0	0	0	109.2	Y572 I574 D870 W873 L874	V562-Y572 HydrophobicContact CG1-CD1 4.16Å; V562-Y572 HydrophobicContact CG1-CG 4.23Å; V562-I574 HydrophobicContact CG2-CG1 4.19Å; V562-D870 WeakPolarHBondContact CB-O 3.31Å; V562-D870 PolarHBondContact N-OD2 3.09Å; V562-W873 HydrophobicContact CG1-CB 4.37Å; V562-L874 HydrophobicContact CG1-CB 4.21Å; V562-L874 HydrophobicContact CG1-CD1 4.32Å; V562-L874 HydrophobicContact CG2-CB 4.34Å
563	S	95.8	Very high	96.1	Very high	20 Å²	20	36.6 Å²	36.6	14%	0.14	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	167.6	178.5	57.7	0	0	0	0	110.4	Y561 D565 Y572 I573 K575	Y561-S563 VanDerWaalsContact CE2-OG 3.29Å; Y561-S563 WeakPolarHBondContact CE2-OG 3.38Å; S563-D565 PolarHBondContact O-N 3.07Å; S563-Y572 WeakPolarHBondContact O-CA 3.32Å; S563-I573 PolarHBondContact N-O 3.29Å; S563-I573 PolarHBondContact O-N 2.82Å; S563-K575 WeakPolarHBondContact OG-CD 3.31Å; S563-K575 WeakPolarHBondContact OG-CE 3.34Å; S563-K575 PolarHBondContact OG-NZ 3.28Å
564	P	96.4	Very high	96.4	Very high	20 Å²	20	34.6 Å²	34.6	13%	0.13	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	138.6	178	-28.2	37	0	0	0	112.5	D566 Y571 Y572 K575 V878	P564-D566 PolarHBondContact O-N 2.98Å; P564-Y571 WeakPolarHBondContact CA-O 3.42Å; P564-Y572 HydrophobicContact CG-CD1 4.34Å; P564-Y572 HydrophobicContact CG-CE1 4.04Å; P564-K575 WeakPolarHBondContact O-CE 3.44Å; P564-K575 PolarHBondContact O-NZ 3.09Å; P564-V878 HydrophobicContact CB-CG2 4.04Å; P564-V878 HydrophobicContact CG-CG1 4.2Å; P564-V878 HydrophobicContact CG-CG2 3.9Å
565	D	97.3	Very high	96.6	Very high	9 Å²	9	32.5 Å²	32.5	5%	0.048	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	123.9	172.4	-175.9	-32.7	0	0	0	108.4	S563 K567 N568 S569 Y571 I573 Y651 K653	S563-D565 PolarHBondContact O-N 3.07Å; D565-K567 PolarHBondContact O-N 3.07Å; D565-K567 VanDerWaalsContact O-N 3.16Å; D565-K567 PolarHBondContact OD1-N 3.41Å; D565-N568 HydrophobicContact CB-CB 4.46Å; D565-N568 WeakPolarHBondContact CB-O 3.15Å; D565-N568 CarbonylContact O-C 3.51Å; D565-N568 PolarHBondContact O-N 2.97Å; D565-S569 WeakPolarHBondContact O-CA 3.35Å; D565-S569 PolarHBondContact O-N 3.11Å; D565-Y571 PolarHBondContact N-O 3.04Å; D565-I573 VanDerWaalsContact CA-CG2 3.5Å; D565-I573 HydrophobicContact CB-CB 4.12Å; D565-I573 HydrophobicContact CB-CG2 3.65Å; D565-Y651 WeakPolarHBondContact OD1-CE2 3.46Å; D565-Y651 PolarHBondContact OD1-OH 2.85Å; D565-Y651 PolarHBondContact OD2-OH 3.36Å; D565-K653 IonicContact OD2-NZ 2.62Å; D565-K653 PolarHBondContact OD2-NZ 2.79Å
566	D	95.4	Very high	96.8	Very high	12 Å²	12	31.4 Å²	31.4	6%	0.064	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-29.5	-173.5	-56.2	-63.2	0	0	0	111.5	P564 K575 Y651 R695 Y946 N951 L952	P564-D566 PolarHBondContact O-N 2.98Å; D566-K575 IonicContact OD1-NZ 2.62Å; D566-K575 PolarHBondContact OD1-NZ 3.2Å; D566-K575 IonicContact OD2-NZ 2.81Å; D566-K575 PolarHBondContact OD2-NZ 2.75Å; D566-Y651 HydrophobicContact CB-CD2 3.76Å; D566-Y651 HydrophobicContact CB-CE2 3.97Å; D566-R695 IonicContact OD2-NH1 2.72Å; D566-Y946 HydrophobicContact CB-CE1 4.28Å; D566-Y946 PolarHBondContact OD1-OH 3.04Å; D566-N951 CarbonylContact O-C 3.53Å; D566-N951 WeakPolarHBondContact O-CA 3.46Å; D566-L952 HydrophobicContact CB-CB 4.19Å; D566-L952 HydrophobicContact CB-CD2 4.36Å; D566-L952 VanDerWaalsContact O-CB 3.24Å; D566-L952 WeakPolarHBondContact O-CB 3.44Å; D566-L952 PolarHBondContact O-N 3.44Å
567	K	96.7	Very high	96.9	Very high	118 Å²	118	31.5 Å²	31.5	51%	0.513	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-8.3	176.5	-69.3	-163.2	175	-163.3	0	114.4	D565 Y651 L952	D565-K567 PolarHBondContact O-N 3.07Å; D565-K567 VanDerWaalsContact O-N 3.16Å; D565-K567 PolarHBondContact OD1-N 3.41Å; K567-Y651 HydrophobicContact CB-CE1 4.38Å; K567-Y651 HydrophobicContact CB-CE2 4.1Å; K567-Y651 HydrophobicContact CD-CD1 3.98Å; K567-Y651 HydrophobicContact CD-CE1 3.5Å; K567-Y651 HydrophobicContact CD-CE2 4.48Å; K567-Y651 HydrophobicContact CG-CD1 4.17Å; K567-Y651 HydrophobicContact CG-CD2 4.26Å; K567-Y651 HydrophobicContact CG-CE1 3.74Å; K567-Y651 HydrophobicContact CG-CE2 3.79Å; K567-Y651 HydrophobicContact CG-CG 4.42Å; K567-L952 HydrophobicContact CG-CB 4.18Å
568	N	96.4	Very high	96.9	Very high	68 Å²	68	32.6 Å²	32.6	36%	0.364	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	81.6	174.3	-173.7	-10.3	0	0	0	109.3	D565 S570 Y571 N951	D565-N568 HydrophobicContact CB-CB 4.46Å; D565-N568 WeakPolarHBondContact CB-O 3.15Å; D565-N568 CarbonylContact O-C 3.51Å; D565-N568 PolarHBondContact O-N 2.97Å; N568-S570 PolarHBondContact O-N 2.95Å; N568-S570 WeakPolarHBondContact OD1-CB 3.38Å; N568-S570 PolarHBondContact OD1-N 3.28Å; N568-Y571 PolarHBondContact O-N 3.27Å; N568-N951 WeakPolarHBondContact CA-OD1 3.16Å
569	S	95.8	Very high	96.8	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.007	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	-2.1	-173.5	68.8	0	0	0	0	114.5	D565 Y571 V878 R880 S897 N949 G950 N951	D565-S569 WeakPolarHBondContact O-CA 3.35Å; D565-S569 PolarHBondContact O-N 3.11Å; S569-Y571 VanDerWaalsContact C-N 3.31Å; S569-V878 VanDerWaalsContact O-CB 3.3Å; S569-V878 WeakPolarHBondContact O-CB 3.33Å; S569-V878 VanDerWaalsContact O-CG2 3.24Å; S569-V878 WeakPolarHBondContact O-CG2 3.2Å; S569-R880 PolarHBondContact OG-NH2 3.35Å; S569-S897 WeakPolarHBondContact CB-O 3.38Å; S569-N949 PolarHBondContact OG-O 3.38Å; S569-G950 WeakPolarHBondContact CB-O 3.5Å; S569-N951 PolarHBondContact N-OD1 2.81Å; S569-N951 PolarHBondContact OG-OD1 3.15Å
570	S	95.9	Very high	96.7	Very high	46 Å²	46	30.8 Å²	30.8	32%	0.322	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-19.1	176.1	-55.1	0	0	0	0	112.9	N568 S877 V878	N568-S570 PolarHBondContact O-N 2.95Å; N568-S570 WeakPolarHBondContact OD1-CB 3.38Å; N568-S570 PolarHBondContact OD1-N 3.28Å; S570-S877 WeakPolarHBondContact O-CA 3.36Å; S570-V878 PolarHBondContact O-N 2.89Å
571	Y	96.1	Very high	96.6	Very high	140 Å²	140	31.6 Å²	31.6	55%	0.549	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	151.1	-174.4	-56.5	-78.6	0	0	0	112.2	P564 D565 N568 S569	P564-Y571 WeakPolarHBondContact CA-O 3.42Å; D565-Y571 PolarHBondContact N-O 3.04Å; N568-Y571 PolarHBondContact O-N 3.27Å; S569-Y571 VanDerWaalsContact C-N 3.31Å
572	Y	96.9	Very high	96.6	Very high	32 Å²	32	30.2 Å²	30.2	13%	0.125	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	146.1	172.5	-68.3	-80.6	0	0	0	112	V562 S563 P564 W873 R876 V878	V562-Y572 HydrophobicContact CG1-CD1 4.16Å; V562-Y572 HydrophobicContact CG1-CG 4.23Å; S563-Y572 WeakPolarHBondContact O-CA 3.32Å; P564-Y572 HydrophobicContact CG-CD1 4.34Å; P564-Y572 HydrophobicContact CG-CE1 4.04Å; Y572-W873 HydrophobicContact CD1-CB 3.99Å; Y572-W873 HydrophobicContact CD2-CB 3.81Å; Y572-W873 WeakPolarHBondContact CD2-O 3.17Å; Y572-W873 HydrophobicContact CE1-CB 4.02Å; Y572-W873 HydrophobicContact CE1-CG 4.32Å; Y572-W873 HydrophobicContact CE2-CB 3.81Å; Y572-W873 HydrophobicContact CE2-CD2 4.21Å; Y572-W873 AromaticContact CE2-CE3 3.8Å; Y572-W873 HydrophobicContact CE2-CE3 3.8Å; Y572-W873 HydrophobicContact CE2-CG 4.24Å; Y572-W873 HydrophobicContact CG-CB 3.9Å; Y572-W873 AromaticContact CZ-CE3 3.99Å; Y572-R876 WeakPolarHBondContact CD2-O 3.44Å; Y572-V878 HydrophobicContact CD1-CG2 4.22Å; Y572-V878 HydrophobicContact CD2-CG2 3.83Å; Y572-V878 HydrophobicContact CE1-CG2 4.02Å; Y572-V878 HydrophobicContact CE2-CB 4.22Å; Y572-V878 HydrophobicContact CE2-CG2 3.64Å; Y572-V878 HydrophobicContact CG-CG2 4.13Å
573	I	97.6	Very high	96.6	Very high	6 Å²	6	30.1 Å²	30.1	3%	0.031	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	151.4	176.5	-168.5	161.7	0	0	0	110.7	S563 D565 K575 P691 I693	S563-I573 PolarHBondContact N-O 3.29Å; S563-I573 PolarHBondContact O-N 2.82Å; D565-I573 VanDerWaalsContact CA-CG2 3.5Å; D565-I573 HydrophobicContact CB-CB 4.12Å; D565-I573 HydrophobicContact CB-CG2 3.65Å; I573-K575 HydrophobicContact CG2-CG 4.32Å; I573-P691 HydrophobicContact CD1-CB 4.17Å; I573-I693 HydrophobicContact CD1-CD1 4.22Å; I573-I693 HydrophobicContact CD1-CG1 3.93Å; I573-I693 HydrophobicContact CG1-CG1 4.46Å; I573-I693 HydrophobicContact CG2-CD1 3.59Å; I573-I693 HydrophobicContact CG2-CG1 4.2Å
574	I	98.2	Very high	96.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	128.4	173.6	-60.8	165.6	0	0	0	109	L560 V562 V672 V676 I686 E690 V692 I693 L874	L560-I574 HydrophobicContact CD1-CG2 4.28Å; L560-I574 HydrophobicContact CD2-CG2 4.13Å; L560-I574 HydrophobicContact CG-CG2 3.95Å; V562-I574 HydrophobicContact CG2-CG1 4.19Å; I574-V672 HydrophobicContact CD1-CG1 3.73Å; I574-V676 HydrophobicContact CD1-CG2 4.17Å; I574-I686 HydrophobicContact CD1-CD1 4.14Å; I574-E690 HydrophobicContact CD1-CG 4.21Å; I574-V692 HydrophobicContact CB-CG1 4.04Å; I574-V692 HydrophobicContact CG2-CG1 4.19Å; I574-V692 WeakPolarHBondContact O-CA 3.43Å; I574-I693 PolarHBondContact O-N 3.49Å; I574-L874 HydrophobicContact CD1-CD2 3.91Å; I574-L874 HydrophobicContact CG1-CD1 4.05Å; I574-L874 HydrophobicContact CG1-CD2 4.06Å
575	K	98.1	Very high	96.2	Very high	7 Å²	7	31.5 Å²	31.5	3%	0.03	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133.7	174.2	-55.3	-161.7	-176.3	171.9	0	110.4	L560 Y561 S563 P564 D566 I573 I693	L560-K575 WeakPolarHBondContact CA-O 3.15Å; Y561-K575 HydrophobicContact CD1-CB 4.27Å; Y561-K575 HydrophobicContact CD2-CB 4.49Å; Y561-K575 HydrophobicContact CE1-CB 3.78Å; Y561-K575 HydrophobicContact CE2-CB 4.03Å; Y561-K575 HydrophobicContact CE2-CD 4.09Å; Y561-K575 HydrophobicContact CE2-CG 4.34Å; Y561-K575 PolarHBondContact N-O 3.11Å; Y561-K575 VanDerWaalsContact N-O 3.16Å; Y561-K575 PolarHBondContact O-N 3.23Å; S563-K575 WeakPolarHBondContact OG-CD 3.31Å; S563-K575 WeakPolarHBondContact OG-CE 3.34Å; S563-K575 PolarHBondContact OG-NZ 3.28Å; P564-K575 WeakPolarHBondContact O-CE 3.44Å; P564-K575 PolarHBondContact O-NZ 3.09Å; D566-K575 IonicContact OD1-NZ 2.62Å; D566-K575 PolarHBondContact OD1-NZ 3.2Å; D566-K575 IonicContact OD2-NZ 2.81Å; D566-K575 PolarHBondContact OD2-NZ 2.75Å; I573-K575 HydrophobicContact CG2-CG 4.32Å; K575-I693 CarbonylContact C-O 3.57Å; K575-I693 WeakPolarHBondContact CA-O 3.43Å; K575-I693 HydrophobicContact CG-CB 4.19Å
576	L	98.4	Very high	96.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.4	174.9	-61.1	176.2	0	0	0	109.2	I558 R559 L560 L659 W668 I693 V694 R695 F700	I558-L576 HydrophobicContact CG2-CD2 4.31Å; R559-L576 CarbonylContact O-C 3.3Å; R559-L576 WeakPolarHBondContact O-CA 3.45Å; L560-L576 HydrophobicContact CB-CD2 3.91Å; L560-L576 HydrophobicContact CD1-CD2 3.91Å; L560-L576 HydrophobicContact CG-CD2 3.83Å; L576-L659 HydrophobicContact CD1-CD2 3.73Å; L576-W668 HydrophobicContact CD1-CE3 3.91Å; L576-W668 HydrophobicContact CD1-CZ3 4Å; L576-I693 PolarHBondContact N-O 3.47Å; L576-V694 HydrophobicContact CD1-CG2 4.41Å; L576-R695 PolarHBondContact O-N 2.94Å; L576-F700 HydrophobicContact CB-CE2 3.93Å; L576-F700 HydrophobicContact CB-CZ 4.04Å
577	D	98.2	Very high	96	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.027	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	167.9	-176.8	-155.3	-8.3	0	0	0	112.1	R559 Y561 R645 R695 F700	R559-D577 HydrophobicContact CB-CB 4.37Å; R559-D577 PolarHBondContact N-O 3.19Å; R559-D577 PolarHBondContact O-N 2.73Å; Y561-D577 HydrophobicContact CE1-CB 4.24Å; D577-R645 IonicContact OD1-CZ 3.53Å; D577-R645 IonicContact OD1-NH1 2.76Å; D577-R645 PolarHBondContact OD1-NH1 2.62Å; D577-R645 IonicContact OD1-NH2 3.65Å; D577-R645 PolarHBondContact OD1-NH2 3.01Å; D577-R645 IonicContact OD2-CZ 3.39Å; D577-R645 IonicContact OD2-NH1 3.4Å; D577-R645 IonicContact OD2-NH2 2.82Å; D577-R645 PolarHBondContact OD2-NH2 3.15Å; D577-R695 HydrophobicContact CB-CB 4.12Å; D577-R695 HydrophobicContact CB-CG 4.42Å; D577-R695 WeakPolarHBondContact OD2-CD 3.45Å; D577-R695 IonicContact OD2-NE 3.75Å; D577-R695 PolarHBondContact OD2-NE 3.1Å; D577-F700 WeakPolarHBondContact O-CZ 3.29Å
578	Q	96.8	Very high	95.9	Very high	27 Å²	27	29.8 Å²	29.8	13%	0.126	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	140.6	170.1	72.3	-167.8	48.1	0	0	110.9	L639 I640 T696 Y699	Q578-L639 HydrophobicContact CB-CD2 3.67Å; Q578-L639 VanDerWaalsContact CD-CD2 3.48Å; Q578-L639 HydrophobicContact CG-CD2 3.73Å; Q578-I640 PolarHBondContact NE2-O 3.15Å; Q578-T696 PolarHBondContact N-OG1 3.47Å; Q578-Y699 HydrophobicContact CB-CD1 3.56Å; Q578-Y699 HydrophobicContact CB-CD2 4.18Å; Q578-Y699 HydrophobicContact CB-CE1 3.52Å; Q578-Y699 HydrophobicContact CB-CE2 4.14Å; Q578-Y699 HydrophobicContact CB-CG 3.9Å
579	A	96.2	Very high	96	Very high	9 Å²	9	26.6 Å²	26.6	7%	0.074	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-83.8	162.5	175.8	0	0	0	0	0	111.8
580	S	94.8	Very high	96	Very high	75 Å²	75	28.2 Å²	28.2	52%	0.524	15%	0.15	S	C	.	.	P	Polyproline II helix	trans	-77.3	159.8	175	60.1	0	0	0	0	112.8	R722	S580-R722 VanDerWaalsContact C-NH2 3.34Å; S580-R722 PolarHBondContact O-NH2 3.07Å
581	L	96.1	Very high	95.9	Very high	18 Å²	18	28.1 Å²	28.1	9%	0.094	15%	0.147	C	C	.	.			trans	-95	179.1	177.9	-54.3	179.9	0	0	0	112.1	Y589 E632 I635 A636 L639 R722	L581-Y589 HydrophobicContact CB-CE2 3.81Å; L581-Y589 HydrophobicContact CD1-CD2 3.68Å; L581-Y589 HydrophobicContact CD1-CE2 3.51Å; L581-Y589 HydrophobicContact CD1-CG 4.49Å; L581-Y589 HydrophobicContact CG-CE2 4.31Å; L581-E632 WeakPolarHBondContact CA-OE1 3.42Å; L581-E632 HydrophobicContact CB-CG 4.48Å; L581-E632 HydrophobicContact CD2-CG 3.92Å; L581-I635 HydrophobicContact CD2-CB 4.42Å; L581-I635 HydrophobicContact CD2-CG2 3.86Å; L581-A636 HydrophobicContact CD1-CB 3.6Å; L581-L639 HydrophobicContact CD1-CD1 3.62Å; L581-L639 HydrophobicContact CD2-CD1 4.01Å; L581-L639 HydrophobicContact CG-CD1 3.76Å; L581-R722 VanDerWaalsContact O-CZ 3.24Å; L581-R722 PolarHBondContact O-NH1 3.35Å; L581-R722 PolarHBondContact O-NH2 3.17Å
582	S	96.2	Very high	95.9	Very high	11 Å²	11	27.7 Å²	27.7	8%	0.077	16%	0.155	C	C	.	.	S	Bend	trans	-73.6	-42.7	174.4	-75.4	0	0	0	0	113.9	Y589 E632 W721 R722	S582-Y589 PolarHBondContact N-OH 2.87Å; S582-E632 WeakPolarHBondContact CB-OE2 3.26Å; S582-E632 PolarHBondContact N-OE1 3.16Å; S582-W721 PolarHBondContact OG-NE1 3.13Å; S582-R722 WeakPolarHBondContact OG-CD 3.22Å; S582-R722 PolarHBondContact OG-NH1 2.77Å
583	L	96.4	Very high	95.7	Very high	8 Å²	8	29.4 Å²	29.4	4%	0.042	17%	0.168	C	C	.	.	S	Bend	trans	-85.1	145.4	165.3	-52.1	169.8	0	0	0	108.8	D588 Y589 N599 R600 L603 F742 T746	L583-D588 HydrophobicContact CB-CB 4.25Å; L583-D588 HydrophobicContact CD1-CB 3.67Å; L583-Y589 HydrophobicContact CB-CD2 4.39Å; L583-Y589 HydrophobicContact CB-CE2 3.54Å; L583-Y589 HydrophobicContact CD1-CD2 4.47Å; L583-Y589 HydrophobicContact CD1-CE1 4.28Å; L583-Y589 HydrophobicContact CD1-CE2 4.04Å; L583-Y589 HydrophobicContact CG-CE2 4Å; L583-Y589 PolarHBondContact N-OH 3Å; L583-N599 HydrophobicContact CD1-CB 3.99Å; L583-N599 HydrophobicContact CD2-CB 4.26Å; L583-R600 HydrophobicContact CD1-CG 4.3Å; L583-L603 HydrophobicContact CD1-CD2 4.33Å; L583-L603 HydrophobicContact CD2-CB 4.28Å; L583-L603 HydrophobicContact CD2-CD2 4.36Å; L583-L603 HydrophobicContact CG-CD2 3.96Å; L583-F742 HydrophobicContact CD2-CE2 3.84Å; L583-F742 HydrophobicContact CD2-CZ 3.86Å; L583-T746 HydrophobicContact CD2-CG2 4.15Å
584	S	90.9	Very high	95.6	Very high	69 Å²	69	34.2 Å²	34.2	48%	0.483	20%	0.203	S	C	.	.	S	Bend	trans	-71.1	-33.8	-177.2	48.8	0	0	0	0	112.5	E1056	S584-E1056 WeakPolarHBondContact CB-OE1 3.2Å; S584-E1056 VanDerWaalsContact OG-CD 3.28Å; S584-E1056 WeakPolarHBondContact OG-CG 3.33Å; S584-E1056 PolarHBondContact OG-OE1 3.03Å
585	S	92.1	Very high	95.3	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.007	21%	0.214	C	C	.	.			trans	-93.5	137.5	178.3	171.4	0	0	0	0	112.6	E587 Y589 Q1059	S585-E587 VanDerWaalsContact C-N 3.3Å; S585-E587 WeakPolarHBondContact OG-CB 3.38Å; S585-E587 PolarHBondContact OG-N 3.31Å; S585-E587 PolarHBondContact OG-OE2 3.01Å; S585-Y589 WeakPolarHBondContact O-CD2 3.32Å; S585-Q1059 WeakPolarHBondContact OG-CB 3.47Å; S585-Q1059 PolarHBondContact OG-OE1 2.92Å
586	R	94.1	Very high	95.2	Very high	71 Å²	71	35.4 Å²	35.4	27%	0.268	21%	0.212	S	C	.	.	S	Bend	trans	-67.6	-33.5	168.9	178.7	-176.6	174.5	-83.5	-0.7	111.3	D588 Y589 T590 A636 H637	R586-D588 VanDerWaalsContact C-N 3.25Å; R586-D588 PolarHBondContact O-N 3.32Å; R586-Y589 PolarHBondContact O-N 3.08Å; R586-Y589 VanDerWaalsContact O-N 3.14Å; R586-T590 HydrophobicContact CG-CG2 4.13Å; R586-T590 PolarHBondContact O-N 3.36Å; R586-T590 VanDerWaalsContact O-N 3.16Å; R586-T590 PolarHBondContact O-OG1 3.33Å; R586-A636 HydrophobicContact CG-CB 4.46Å; R586-A636 PolarHBondContact NE-O 3.36Å; R586-H637 PolarHBondContact NH2-O 2.62Å
587	E	93.3	Very high	95.2	Very high	25 Å²	25	39.6 Å²	39.6	12%	0.117	23%	0.234	C	C	.	.	H	α-helix	trans	-64.8	-29.6	-178.9	-68.7	75.8	-173.9	0	0	112.3	S585 Y589 T590 T591 R988	S585-E587 VanDerWaalsContact C-N 3.3Å; S585-E587 WeakPolarHBondContact OG-CB 3.38Å; S585-E587 PolarHBondContact OG-N 3.31Å; S585-E587 PolarHBondContact OG-OE2 3.01Å; E587-Y589 PolarHBondContact O-N 2.89Å; E587-T590 WeakPolarHBondContact CA-OG1 3.32Å; E587-T590 PolarHBondContact O-N 3.34Å; E587-T591 HydrophobicContact CB-CG2 4Å; E587-T591 HydrophobicContact CG-CG2 4.37Å; E587-T591 WeakPolarHBondContact O-CB 3.19Å; E587-T591 WeakPolarHBondContact O-CG2 3.41Å; E587-T591 PolarHBondContact O-N 3.28Å; E587-T591 PolarHBondContact O-OG1 3.27Å; E587-R988 IonicContact OE1-CZ 3.07Å; E587-R988 IonicContact OE1-NH1 2.64Å; E587-R988 PolarHBondContact OE1-NH1 2.97Å; E587-R988 IonicContact OE1-NH2 3.29Å; E587-R988 PolarHBondContact OE1-NH2 3.48Å
588	D	95.8	Very high	95.1	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.032	25%	0.246	C	C	.	.	H	α-helix	trans	-62.6	-26	174	-74.4	-27	0	0	0	113.3	L583 R586 N599 R600	L583-D588 HydrophobicContact CB-CB 4.25Å; L583-D588 HydrophobicContact CD1-CB 3.67Å; R586-D588 VanDerWaalsContact C-N 3.25Å; R586-D588 PolarHBondContact O-N 3.32Å; D588-N599 HydrophobicContact CB-CB 4.42Å; D588-N599 VanDerWaalsContact CG-ND2 3.29Å; D588-N599 PolarHBondContact OD1-ND2 3.29Å; D588-N599 PolarHBondContact OD2-ND2 3.35Å; D588-R600 WeakPolarHBondContact O-CD 3.39Å; D588-R600 WeakPolarHBondContact O-CG 3.34Å; D588-R600 PolarHBondContact O-NE 2.81Å; D588-R600 VanDerWaalsContact O-NE 3.15Å
589	Y	97.6	Very high	95.2	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-89.8	-34.7	174.7	-66	-86.4	0	0	0	113.2	L581 S582 L583 S585 R586 E587 L603 L629 E632 A636	L581-Y589 HydrophobicContact CB-CE2 3.81Å; L581-Y589 HydrophobicContact CD1-CD2 3.68Å; L581-Y589 HydrophobicContact CD1-CE2 3.51Å; L581-Y589 HydrophobicContact CD1-CG 4.49Å; L581-Y589 HydrophobicContact CG-CE2 4.31Å; S582-Y589 PolarHBondContact N-OH 2.87Å; L583-Y589 HydrophobicContact CB-CD2 4.39Å; L583-Y589 HydrophobicContact CB-CE2 3.54Å; L583-Y589 HydrophobicContact CD1-CD2 4.47Å; L583-Y589 HydrophobicContact CD1-CE1 4.28Å; L583-Y589 HydrophobicContact CD1-CE2 4.04Å; L583-Y589 HydrophobicContact CG-CE2 4Å; L583-Y589 PolarHBondContact N-OH 3Å; S585-Y589 WeakPolarHBondContact O-CD2 3.32Å; R586-Y589 PolarHBondContact O-N 3.08Å; R586-Y589 VanDerWaalsContact O-N 3.14Å; E587-Y589 PolarHBondContact O-N 2.89Å; Y589-L603 HydrophobicContact CE1-CD2 4.32Å; Y589-L629 HydrophobicContact CE1-CD1 3.97Å; Y589-E632 HydrophobicContact CE1-CB 4.29Å; Y589-E632 HydrophobicContact CE1-CG 3.84Å; Y589-E632 PolarHBondContact OH-OE2 2.9Å; Y589-A636 HydrophobicContact CD2-CB 4.04Å; Y589-A636 HydrophobicContact CG-CB 3.79Å
590	T	95.6	Very high	95.3	Very high	35 Å²	35	41.4 Å²	41.4	22%	0.215	25%	0.247	C	C	.	.	H	α-helix	trans	-100.7	-11.9	-165.3	53.9	0	0	0	0	113.8	R586 E587 A636	R586-T590 HydrophobicContact CG-CG2 4.13Å; R586-T590 PolarHBondContact O-N 3.36Å; R586-T590 VanDerWaalsContact O-N 3.16Å; R586-T590 PolarHBondContact O-OG1 3.33Å; E587-T590 WeakPolarHBondContact CA-OG1 3.32Å; E587-T590 PolarHBondContact O-N 3.34Å; T590-A636 HydrophobicContact CG2-CB 4.27Å
591	T	94.6	Very high	95.4	Very high	43 Å²	43	40.6 Å²	40.6	26%	0.264	24%	0.244	S	C	.	.			trans	-111.1	155.9	179.1	72.2	0	0	0	0	111.9	E587 A596 R600	E587-T591 HydrophobicContact CB-CG2 4Å; E587-T591 HydrophobicContact CG-CG2 4.37Å; E587-T591 WeakPolarHBondContact O-CB 3.19Å; E587-T591 WeakPolarHBondContact O-CG2 3.41Å; E587-T591 PolarHBondContact O-N 3.28Å; E587-T591 PolarHBondContact O-OG1 3.27Å; T591-A596 WeakPolarHBondContact O-CB 3.48Å; T591-A596 WeakPolarHBondContact OG1-CB 3.46Å; T591-R600 PolarHBondContact O-NH2 3.03Å
592	N	95.3	Very high	95.6	Very high	131 Å²	131	40.5 Å²	40.5	70%	0.701	25%	0.246	S	C	*	.			trans	-107.5	32	179.6	-68.6	-31.1	0	0	0	112.6	R600	N592-R600 PolarHBondContact OD1-NH2 3.12Å; N592-R600 VanDerWaalsContact OD1-NH2 3.11Å
593	T	94.2	Very high	95.7	Very high	68 Å²	68	40 Å²	40	42%	0.417	24%	0.243	S	C	.	.			trans	-68.1	153.8	170.8	65.4	0	0	0	0	109.9	S595 A596 L597	T593-S595 PolarHBondContact O-N 3.06Å; T593-A596 PolarHBondContact O-N 2.94Å; T593-A596 VanDerWaalsContact O-N 3.14Å; T593-A596 VanDerWaalsContact OG1-CB 3.23Å; T593-A596 WeakPolarHBondContact OG1-CB 3.21Å; T593-A596 PolarHBondContact OG1-N 3.35Å; T593-A596 VanDerWaalsContact OG1-N 3.16Å; T593-L597 WeakPolarHBondContact O-CG 3.49Å; T593-L597 PolarHBondContact O-N 3.01Å
594	S	94.1	Very high	95.8	Very high	107 Å²	107	41.1 Å²	41.1	75%	0.748	25%	0.248	S	C	*	.	H	α-helix	trans	-54.9	-38.5	177.9	-52	0	0	0	0	112.1	G598	S594-G598 PolarHBondContact O-N 2.82Å
595	S	93.6	Very high	96.2	Very high	33 Å²	33	40.4 Å²	40.4	23%	0.231	24%	0.243	C	C	.	.	H	α-helix	trans	-68.3	-44.7	177	-53	0	0	0	0	112.9	T593 L597 G598 N599 R1055	T593-S595 PolarHBondContact O-N 3.06Å; S595-L597 VanDerWaalsContact C-N 3.31Å; S595-L597 PolarHBondContact O-N 3.31Å; S595-G598 PolarHBondContact O-N 2.94Å; S595-N599 PolarHBondContact O-N 2.03Å; S595-R1055 VanDerWaalsContact CB-CZ 3.46Å; S595-R1055 VanDerWaalsContact CB-NH1 3.27Å; S595-R1055 PolarHBondContact OG-NH1 3.43Å; S595-R1055 VanDerWaalsContact OG-NH1 3.16Å; S595-R1055 PolarHBondContact OG-NH2 2.91Å
596	A	96.1	Very high	96.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.6	-38.7	176.7	0	0	0	0	0	111.9	T591 T593 R600	T591-A596 WeakPolarHBondContact O-CB 3.48Å; T591-A596 WeakPolarHBondContact OG1-CB 3.46Å; T593-A596 PolarHBondContact O-N 2.94Å; T593-A596 VanDerWaalsContact O-N 3.14Å; T593-A596 VanDerWaalsContact OG1-CB 3.23Å; T593-A596 WeakPolarHBondContact OG1-CB 3.21Å; T593-A596 PolarHBondContact OG1-N 3.35Å; T593-A596 VanDerWaalsContact OG1-N 3.16Å; A596-R600 WeakPolarHBondContact O-CG 3.39Å; A596-R600 PolarHBondContact O-N 3.11Å; A596-R600 VanDerWaalsContact O-N 3.07Å; A596-R600 PolarHBondContact O-NE 3.38Å
597	L	97	Very high	96.7	Very high	87 Å²	87	37 Å²	37	46%	0.455	23%	0.23	S	C	.	.	H	α-helix	trans	-64.8	-43.6	173.2	-70.6	167.8	0	0	0	111.5	T593 S595 R600 A601	T593-L597 WeakPolarHBondContact O-CG 3.49Å; T593-L597 PolarHBondContact O-N 3.01Å; S595-L597 VanDerWaalsContact C-N 3.31Å; S595-L597 PolarHBondContact O-N 3.31Å; L597-R600 VanDerWaalsContact CD2-NH2 3.25Å; L597-R600 PolarHBondContact O-N 3.17Å; L597-A601 WeakPolarHBondContact O-CB 3.47Å; L597-A601 PolarHBondContact O-N 2.93Å
598	G	97.2	Very high	96.9	Very high	27 Å²	27	36 Å²	36	28%	0.278	23%	0.226	S	C	.	.	H	α-helix	trans	-59.7	-46.5	174.8	0	0	0	0	0	112.8	S594 S595 R600 A601 A602	S594-G598 PolarHBondContact O-N 2.82Å; S595-G598 PolarHBondContact O-N 2.94Å; G598-R600 PolarHBondContact O-N 3.39Å; G598-A601 PolarHBondContact O-N 2.69Å; G598-A602 WeakPolarHBondContact O-CB 2.96Å; G598-A602 PolarHBondContact O-N 3.29Å
599	N	97.6	Very high	97.1	Very high	10 Å²	10	38.1 Å²	38.1	5%	0.053	24%	0.237	C	C	.	.	H	α-helix	trans	-62.6	-43.5	178.4	-71.7	-6.1	0	0	0	111.8	L583 D588 S595 A602 L603 V745	L583-N599 HydrophobicContact CD1-CB 3.99Å; L583-N599 HydrophobicContact CD2-CB 4.26Å; D588-N599 HydrophobicContact CB-CB 4.42Å; D588-N599 VanDerWaalsContact CG-ND2 3.29Å; D588-N599 PolarHBondContact OD1-ND2 3.29Å; D588-N599 PolarHBondContact OD2-ND2 3.35Å; S595-N599 PolarHBondContact O-N 2.03Å; N599-A602 PolarHBondContact O-N 2.64Å; N599-L603 WeakPolarHBondContact O-CB 3.46Å; N599-L603 PolarHBondContact O-N 2.83Å; N599-V745 PolarHBondContact OD1-O 2.86Å
600	R	98.3	Very high	97.1	Very high	43 Å²	43	38 Å²	38	16%	0.162	24%	0.237	C	C	.	.	H	α-helix	trans	-63.3	-42.3	174.2	-76.3	-176.7	-79.5	169.1	-5.6	112.4	L583 D588 T591 N592 A596 L597 G598 L603 L604 L629	L583-R600 HydrophobicContact CD1-CG 4.3Å; D588-R600 WeakPolarHBondContact O-CD 3.39Å; D588-R600 WeakPolarHBondContact O-CG 3.34Å; D588-R600 PolarHBondContact O-NE 2.81Å; D588-R600 VanDerWaalsContact O-NE 3.15Å; T591-R600 PolarHBondContact O-NH2 3.03Å; N592-R600 PolarHBondContact OD1-NH2 3.12Å; N592-R600 VanDerWaalsContact OD1-NH2 3.11Å; A596-R600 WeakPolarHBondContact O-CG 3.39Å; A596-R600 PolarHBondContact O-N 3.11Å; A596-R600 VanDerWaalsContact O-N 3.07Å; A596-R600 PolarHBondContact O-NE 3.38Å; L597-R600 VanDerWaalsContact CD2-NH2 3.25Å; L597-R600 PolarHBondContact O-N 3.17Å; G598-R600 PolarHBondContact O-N 3.39Å; R600-L603 PolarHBondContact O-N 3.23Å; R600-L604 WeakPolarHBondContact O-CB 3.49Å; R600-L604 PolarHBondContact O-N 2.8Å; R600-L629 HydrophobicContact CB-CD2 4.49Å
601	A	98.4	Very high	97.2	Very high	58 Å²	58	36.3 Å²	36.3	48%	0.479	23%	0.227	S	C	.	.	H	α-helix	trans	-65.6	-42.8	177.5	0	0	0	0	0	111.9	L597 G598 L604 S605	L597-A601 WeakPolarHBondContact O-CB 3.47Å; L597-A601 PolarHBondContact O-N 2.93Å; G598-A601 PolarHBondContact O-N 2.69Å; A601-L604 PolarHBondContact O-N 3.44Å; A601-S605 VanDerWaalsContact O-CB 3.3Å; A601-S605 WeakPolarHBondContact O-CB 3.25Å; A601-S605 PolarHBondContact O-N 3.07Å
602	A	98.4	Very high	97.4	Very high	16 Å²	16	36.8 Å²	36.8	13%	0.132	23%	0.229	C	C	.	.	H	α-helix	trans	-63.4	-42.5	175.8	0	0	0	0	0	111.7	G598 N599 S605 L606 F742 V745	G598-A602 WeakPolarHBondContact O-CB 2.96Å; G598-A602 PolarHBondContact O-N 3.29Å; N599-A602 PolarHBondContact O-N 2.64Å; A602-S605 PolarHBondContact O-N 3.23Å; A602-L606 PolarHBondContact O-N 3.12Å; A602-F742 HydrophobicContact CB-CD2 4.06Å; A602-V745 HydrophobicContact CB-CB 3.85Å; A602-V745 HydrophobicContact CB-CG1 3.88Å; A602-V745 HydrophobicContact CB-CG2 4.06Å
603	L	98.6	Very high	97.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.7	-49.1	174.2	176.7	59.4	0	0	0	111.5	L583 Y589 N599 R600 S605 L606 M607 L629 W721 F742	L583-L603 HydrophobicContact CD1-CD2 4.33Å; L583-L603 HydrophobicContact CD2-CB 4.28Å; L583-L603 HydrophobicContact CD2-CD2 4.36Å; L583-L603 HydrophobicContact CG-CD2 3.96Å; Y589-L603 HydrophobicContact CE1-CD2 4.32Å; N599-L603 WeakPolarHBondContact O-CB 3.46Å; N599-L603 PolarHBondContact O-N 2.83Å; R600-L603 PolarHBondContact O-N 3.23Å; L603-S605 VanDerWaalsContact C-N 3.28Å; L603-S605 PolarHBondContact O-N 3.16Å; L603-L606 PolarHBondContact O-N 2.99Å; L603-M607 HydrophobicContact CD1-CG 4.29Å; L603-M607 HydrophobicContact CD1-SD 4.34Å; L603-M607 HydrophobicContact CG-CG 4.47Å; L603-M607 HydrophobicContact CG-SD 4Å; L603-M607 VanDerWaalsContact O-CG 3.23Å; L603-M607 WeakPolarHBondContact O-CG 3.42Å; L603-M607 PolarHBondContact O-N 2.88Å; L603-L629 HydrophobicContact CD2-CD1 3.78Å; L603-L629 HydrophobicContact CG-CD1 4.43Å; L603-W721 HydrophobicContact CD1-CZ2 3.63Å; L603-F742 HydrophobicContact CB-CE2 4.02Å; L603-F742 HydrophobicContact CD1-CE2 4.29Å
604	L	98.8	Very high	97.7	Very high	32 Å²	32	29.6 Å²	29.6	17%	0.168	19%	0.187	C	C	.	.	H	α-helix	trans	-58.2	-44.2	177.5	-179.6	57.9	0	0	0	111.4	R600 A601 L606 M607 V608 M625 E626 L629	R600-L604 WeakPolarHBondContact O-CB 3.49Å; R600-L604 PolarHBondContact O-N 2.8Å; A601-L604 PolarHBondContact O-N 3.44Å; L604-L606 VanDerWaalsContact C-N 3.33Å; L604-L606 PolarHBondContact O-N 3.23Å; L604-M607 WeakPolarHBondContact O-CB 3.02Å; L604-M607 PolarHBondContact O-N 3.39Å; L604-V608 HydrophobicContact CD1-CG2 4.14Å; L604-V608 HydrophobicContact CG-CG2 4.47Å; L604-V608 WeakPolarHBondContact O-CG2 3.17Å; L604-V608 PolarHBondContact O-N 2.7Å; L604-M625 HydrophobicContact CD1-CB 3.9Å; L604-E626 HydrophobicContact CD1-CG 3.97Å; L604-E626 HydrophobicContact CD2-CG 3.77Å; L604-E626 HydrophobicContact CG-CG 4.49Å; L604-L629 HydrophobicContact CB-CD2 3.8Å; L604-L629 HydrophobicContact CD1-CD2 4.44Å; L604-L629 HydrophobicContact CG-CD2 4.49Å
605	S	98.6	Very high	97.8	Very high	54 Å²	54	26 Å²	26	38%	0.378	17%	0.166	S	C	.	.	H	α-helix	trans	-61.3	-43.2	179.2	-166.3	0	0	0	0	111.1	A601 A602 L603 V608 D609 R738	A601-S605 VanDerWaalsContact O-CB 3.3Å; A601-S605 WeakPolarHBondContact O-CB 3.25Å; A601-S605 PolarHBondContact O-N 3.07Å; A602-S605 PolarHBondContact O-N 3.23Å; L603-S605 VanDerWaalsContact C-N 3.28Å; L603-S605 PolarHBondContact O-N 3.16Å; S605-V608 PolarHBondContact O-N 2.75Å; S605-D609 WeakPolarHBondContact O-CB 3.22Å; S605-D609 VanDerWaalsContact O-CG 3.28Å; S605-D609 PolarHBondContact O-N 3.11Å; S605-D609 VanDerWaalsContact O-OD2 3.06Å; S605-R738 VanDerWaalsContact CB-NH2 3.32Å; S605-R738 PolarHBondContact O-NH2 2.84Å; S605-R738 PolarHBondContact OG-NH2 3.12Å
606	L	98.7	Very high	98	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.5	-42.2	174.2	-177.7	64.9	0	0	0	112.1	A602 L603 L604 A610 W721 F725 I728 R738 Y739 F742	A602-L606 PolarHBondContact O-N 3.12Å; L603-L606 PolarHBondContact O-N 2.99Å; L604-L606 VanDerWaalsContact C-N 3.33Å; L604-L606 PolarHBondContact O-N 3.23Å; L606-A610 WeakPolarHBondContact O-CB 3.49Å; L606-A610 PolarHBondContact O-N 3.36Å; L606-W721 HydrophobicContact CB-CH2 4.46Å; L606-W721 HydrophobicContact CD2-CH2 3.99Å; L606-W721 HydrophobicContact CG-CH2 3.88Å; L606-F725 HydrophobicContact CD2-CD2 3.99Å; L606-F725 HydrophobicContact CD2-CE2 3.78Å; L606-I728 HydrophobicContact CD1-CD1 3.96Å; L606-R738 HydrophobicContact CD1-CB 4.4Å; L606-R738 HydrophobicContact CD1-CG 3.7Å; L606-Y739 HydrophobicContact CD2-CD2 4.29Å; L606-F742 HydrophobicContact CB-CB 4.3Å; L606-F742 HydrophobicContact CD2-CB 3.89Å; L606-F742 HydrophobicContact CD2-CD1 3.98Å; L606-F742 HydrophobicContact CD2-CD2 4.31Å; L606-F742 HydrophobicContact CD2-CG 3.8Å; L606-F742 HydrophobicContact CG-CB 4.47Å
607	M	98.7	Very high	98	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-57.4	-49.8	177.4	-71.9	171.4	74.2	0	0	111.9	L603 L604 A611 M625 A628 L629 W721	L603-M607 HydrophobicContact CD1-CG 4.29Å; L603-M607 HydrophobicContact CD1-SD 4.34Å; L603-M607 HydrophobicContact CG-CG 4.47Å; L603-M607 HydrophobicContact CG-SD 4Å; L603-M607 VanDerWaalsContact O-CG 3.23Å; L603-M607 WeakPolarHBondContact O-CG 3.42Å; L603-M607 PolarHBondContact O-N 2.88Å; L604-M607 WeakPolarHBondContact O-CB 3.02Å; L604-M607 PolarHBondContact O-N 3.39Å; M607-A611 PolarHBondContact O-N 3.06Å; M607-A611 VanDerWaalsContact O-N 3.15Å; M607-M625 HydrophobicContact CB-CB 3.82Å; M607-M625 HydrophobicContact CB-CG 3.79Å; M607-M625 HydrophobicContact CB-SD 3.92Å; M607-M625 HydrophobicContact CE-CB 4.1Å; M607-M625 HydrophobicContact CE-CG 4.48Å; M607-M625 HydrophobicContact CE-SD 3.77Å; M607-A628 HydrophobicContact CE-CB 3.68Å; M607-L629 HydrophobicContact CE-CB 4.5Å; M607-L629 HydrophobicContact SD-CB 4.27Å; M607-W721 HydrophobicContact CB-CD2 4.37Å; M607-W721 HydrophobicContact CB-CE3 4.28Å; M607-W721 HydrophobicContact CB-CH2 4.32Å; M607-W721 HydrophobicContact CB-CZ2 4.39Å; M607-W721 HydrophobicContact CB-CZ3 4.26Å; M607-W721 HydrophobicContact CE-CD2 4.28Å; M607-W721 HydrophobicContact CE-CG 3.91Å; M607-W721 HydrophobicContact CG-CD2 3.54Å; M607-W721 HydrophobicContact CG-CE3 3.88Å; M607-W721 HydrophobicContact CG-CG 4.17Å; M607-W721 HydrophobicContact CG-CH2 3.69Å; M607-W721 HydrophobicContact CG-CZ2 3.32Å; M607-W721 HydrophobicContact CG-CZ3 3.96Å; M607-W721 HydrophobicContact SD-CD2 4.47Å; M607-W721 HydrophobicContact SD-CZ2 4.45Å
608	V	98.8	Very high	98	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.024	19%	0.185	C	C	.	.	H	α-helix	trans	-64.8	-48.7	-178.9	173.1	0	0	0	0	110.6	L604 S605 A610 A611 V612 A621 M625	L604-V608 HydrophobicContact CD1-CG2 4.14Å; L604-V608 HydrophobicContact CG-CG2 4.47Å; L604-V608 WeakPolarHBondContact O-CG2 3.17Å; L604-V608 PolarHBondContact O-N 2.7Å; S605-V608 PolarHBondContact O-N 2.75Å; V608-A610 PolarHBondContact O-N 3.4Å; V608-A611 PolarHBondContact O-N 3.1Å; V608-V612 HydrophobicContact CG1-CG2 4.44Å; V608-V612 WeakPolarHBondContact O-CG2 3.21Å; V608-V612 PolarHBondContact O-N 2.99Å; V608-A621 HydrophobicContact CG1-CB 4.15Å; V608-M625 HydrophobicContact CG2-CB 3.81Å; V608-M625 HydrophobicContact CG2-CG 4.2Å
609	D	98.4	Very high	98	Very high	50 Å²	50	37 Å²	37	27%	0.267	21%	0.208	S	C	.	.	H	α-helix	trans	-68.9	-37.8	-176.3	-66.7	-33.3	0	0	0	112	S605 A611 V612 M613 R738	S605-D609 WeakPolarHBondContact O-CB 3.22Å; S605-D609 VanDerWaalsContact O-CG 3.28Å; S605-D609 PolarHBondContact O-N 3.11Å; S605-D609 VanDerWaalsContact O-OD2 3.06Å; D609-A611 VanDerWaalsContact C-N 3.33Å; D609-A611 PolarHBondContact O-N 2.86Å; D609-V612 PolarHBondContact O-N 3.47Å; D609-M613 VanDerWaalsContact O-CB 3.28Å; D609-M613 WeakPolarHBondContact O-CB 3.35Å; D609-M613 WeakPolarHBondContact O-CG 3.32Å; D609-M613 PolarHBondContact O-N 2.81Å; D609-R738 HydrophobicContact CB-CG 4.16Å; D609-R738 IonicContact OD2-CZ 2.64Å; D609-R738 IonicContact OD2-NE 3.53Å; D609-R738 PolarHBondContact OD2-NE 2.85Å; D609-R738 IonicContact OD2-NH2 2.66Å; D609-R738 PolarHBondContact OD2-NH2 3.03Å
610	A	98.3	Very high	98	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60	-43.7	173	0	0	0	0	0	111.5	L606 V608 M613 L614 W721 V724 I728	L606-A610 WeakPolarHBondContact O-CB 3.49Å; L606-A610 PolarHBondContact O-N 3.36Å; V608-A610 PolarHBondContact O-N 3.4Å; A610-M613 PolarHBondContact O-N 3.24Å; A610-L614 WeakPolarHBondContact O-CB 3.35Å; A610-L614 WeakPolarHBondContact O-CD1 3.34Å; A610-L614 VanDerWaalsContact O-CG 3.3Å; A610-L614 WeakPolarHBondContact O-CG 3.33Å; A610-L614 PolarHBondContact O-N 3.2Å; A610-L614 VanDerWaalsContact O-N 3.09Å; A610-W721 HydrophobicContact CB-CZ3 4.01Å; A610-V724 HydrophobicContact CB-CG1 4.4Å; A610-I728 HydrophobicContact CB-CD1 3.92Å
611	A	98.4	Very high	98	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.9	-43.9	176.2	0	0	0	0	0	111.9	W521 V523 M607 V608 D609 L614 G615 A616 A621	W521-A611 HydrophobicContact CH2-CB 3.79Å; W521-A611 HydrophobicContact CZ2-CB 4.32Å; W521-A611 HydrophobicContact CZ3-CB 4.09Å; V523-A611 HydrophobicContact CG1-CB 4.03Å; V523-A611 HydrophobicContact CG2-CB 4.47Å; M607-A611 PolarHBondContact O-N 3.06Å; M607-A611 VanDerWaalsContact O-N 3.15Å; V608-A611 PolarHBondContact O-N 3.1Å; D609-A611 VanDerWaalsContact C-N 3.33Å; D609-A611 PolarHBondContact O-N 2.86Å; A611-L614 CarbonylContact O-C 3.58Å; A611-L614 PolarHBondContact O-N 3.03Å; A611-G615 PolarHBondContact O-N 3.01Å; A611-G615 VanDerWaalsContact O-N 3.17Å; A611-A616 HydrophobicContact CB-CB 4.01Å; A611-A616 VanDerWaalsContact O-CB 3.29Å; A611-A616 WeakPolarHBondContact O-CB 3.18Å; A611-A616 PolarHBondContact O-N 3.49Å; A611-A621 HydrophobicContact CB-CB 3.98Å
612	V	98.3	Very high	98	Very high	52 Å²	52	36 Å²	36	32%	0.315	20%	0.199	S	C	.	.	H	α-helix	trans	-65.8	-43.7	178.1	171.9	0	0	0	0	111.7	V608 D609 L614 G615 K618 A621	V608-V612 HydrophobicContact CG1-CG2 4.44Å; V608-V612 WeakPolarHBondContact O-CG2 3.21Å; V608-V612 PolarHBondContact O-N 2.99Å; D609-V612 PolarHBondContact O-N 3.47Å; V612-L614 PolarHBondContact O-N 2.97Å; V612-G615 WeakPolarHBondContact O-CA 3.3Å; V612-G615 PolarHBondContact O-N 3.06Å; V612-K618 HydrophobicContact CG2-CB 4.15Å; V612-K618 HydrophobicContact CG2-CG 4.35Å; V612-A621 HydrophobicContact CG2-CB 3.88Å
613	M	97.5	Very high	98	Very high	46 Å²	46	38.3 Å²	38.3	23%	0.227	21%	0.211	C	C	.	.	H	α-helix	trans	-62.6	-24.9	176.2	-71.5	171.7	71.1	0	0	112.5	D609 A610 R734 F735 R738	D609-M613 VanDerWaalsContact O-CB 3.28Å; D609-M613 WeakPolarHBondContact O-CB 3.35Å; D609-M613 WeakPolarHBondContact O-CG 3.32Å; D609-M613 PolarHBondContact O-N 2.81Å; A610-M613 PolarHBondContact O-N 3.24Å; M613-R734 HydrophobicContact CE-CB 3.98Å; M613-R734 HydrophobicContact CE-CG 3.59Å; M613-F735 HydrophobicContact CB-CE1 3.76Å; M613-F735 HydrophobicContact CB-CZ 3.92Å; M613-F735 HydrophobicContact CE-CB 4.47Å; M613-F735 HydrophobicContact CE-CD1 3.64Å; M613-F735 HydrophobicContact CE-CD2 3.98Å; M613-F735 HydrophobicContact CE-CE1 3.77Å; M613-F735 HydrophobicContact CE-CE2 4.09Å; M613-F735 HydrophobicContact CE-CG 3.76Å; M613-F735 HydrophobicContact CE-CZ 3.99Å; M613-F735 HydrophobicContact SD-CD1 4.29Å; M613-F735 HydrophobicContact SD-CE1 4.3Å; M613-R738 HydrophobicContact SD-CB 4.32Å; M613-R738 HydrophobicContact SD-CG 4.34Å
614	L	97.3	Very high	98	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.016	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	0.7	173	-69.6	165.9	0	0	0	113.1	A507 M510 L511 L514 W521 L524 L528 A610 A611 V612 V724 F735	A507-L614 HydrophobicContact CB-CD2 3.94Å; M510-L614 HydrophobicContact CB-CD2 4.5Å; M510-L614 HydrophobicContact CG-CD2 4.36Å; M510-L614 HydrophobicContact SD-CD1 3.78Å; M510-L614 HydrophobicContact SD-CD2 4.02Å; L511-L614 HydrophobicContact CD2-CB 4.28Å; L511-L614 HydrophobicContact CD2-CD2 4Å; L511-L614 WeakPolarHBondContact CD2-O 3.44Å; L511-L614 HydrophobicContact CG-CD2 4.07Å; L514-L614 HydrophobicContact CD1-CD1 4.22Å; W521-L614 HydrophobicContact CE3-CD1 4.3Å; W521-L614 HydrophobicContact CZ3-CD1 3.82Å; L524-L614 HydrophobicContact CD1-CB 4.24Å; L524-L614 HydrophobicContact CD2-CB 3.74Å; L528-L614 WeakPolarHBondContact CD1-O 3Å; A610-L614 WeakPolarHBondContact O-CB 3.35Å; A610-L614 WeakPolarHBondContact O-CD1 3.34Å; A610-L614 VanDerWaalsContact O-CG 3.3Å; A610-L614 WeakPolarHBondContact O-CG 3.33Å; A610-L614 PolarHBondContact O-N 3.2Å; A610-L614 VanDerWaalsContact O-N 3.09Å; A611-L614 CarbonylContact O-C 3.58Å; A611-L614 PolarHBondContact O-N 3.03Å; V612-L614 PolarHBondContact O-N 2.97Å; L614-V724 HydrophobicContact CD1-CG1 4.03Å; L614-V724 HydrophobicContact CD1-CG2 4.41Å; L614-F735 HydrophobicContact CD2-CE1 4.47Å; L614-F735 HydrophobicContact CD2-CZ 4.2Å; L614-F735 HydrophobicContact CG-CE1 4.28Å; L614-F735 HydrophobicContact CG-CZ 4.37Å
615	G	96.4	Very high	98	Very high	30 Å²	30	37.8 Å²	37.8	31%	0.309	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.4	13.2	171.4	0	0	0	0	0	116.4	A611 V612	A611-G615 PolarHBondContact O-N 3.01Å; A611-G615 VanDerWaalsContact O-N 3.17Å; V612-G615 WeakPolarHBondContact O-CA 3.3Å; V612-G615 PolarHBondContact O-N 3.06Å
616	A	97.6	Very high	98	Very high	8 Å²	8	39.5 Å²	39.5	7%	0.066	21%	0.21	C	C	.	.			trans	-70.6	146.4	169.5	0	0	0	0	0	112.2	V523 L524 A611 K618 A621	V523-A616 HydrophobicContact CG1-CB 4.49Å; V523-A616 HydrophobicContact CG2-CB 3.9Å; L524-A616 HydrophobicContact CD2-CB 4.05Å; A611-A616 HydrophobicContact CB-CB 4.01Å; A611-A616 VanDerWaalsContact O-CB 3.29Å; A611-A616 WeakPolarHBondContact O-CB 3.18Å; A611-A616 PolarHBondContact O-N 3.49Å; A616-K618 PolarHBondContact O-N 2.88Å; A616-A621 HydrophobicContact CB-CB 4.13Å
617	P	97.4	Very high	98	Very high	52 Å²	52	44.8 Å²	44.8	34%	0.338	23%	0.233	S	C	.	.			trans	-62.8	130.9	167.4	-18.5	31.5	0	0	0	110.8	D526 Q619 A620 A621	D526-P617 HydrophobicContact CB-CG 4.17Å; D526-P617 WeakPolarHBondContact O-CG 3.29Å; P617-Q619 VanDerWaalsContact C-N 3.33Å; P617-Q619 PolarHBondContact O-N 3.24Å; P617-A620 HydrophobicContact CB-CB 4.11Å; P617-A620 HydrophobicContact CG-CB 4.38Å; P617-A620 WeakPolarHBondContact O-CB 3.21Å; P617-A620 PolarHBondContact O-N 3.44Å; P617-A621 PolarHBondContact O-N 3.47Å
618	K	97.2	Very high	98	Very high	154 Å²	154	44.8 Å²	44.8	67%	0.67	23%	0.233	S	C	*	.	H	α-helix	trans	-52.2	-44.7	-174.2	-174.6	176.5	-179	176.9	0	114.1	V612 A616 A621 Q622	V612-K618 HydrophobicContact CG2-CB 4.15Å; V612-K618 HydrophobicContact CG2-CG 4.35Å; A616-K618 PolarHBondContact O-N 2.88Å; K618-A621 PolarHBondContact O-N 3.37Å; K618-Q622 PolarHBondContact O-N 3.17Å
619	Q	96.9	Very high	98	Very high	165 Å²	165	45.4 Å²	45.4	77%	0.771	24%	0.236	S	C	*	.	H	α-helix	trans	-67.9	-37.7	-179.6	-169.8	175.4	12.7	0	0	112.5	P617 T623	P617-Q619 VanDerWaalsContact C-N 3.33Å; P617-Q619 PolarHBondContact O-N 3.24Å; Q619-T623 PolarHBondContact O-N 3.34Å; Q619-T623 PolarHBondContact O-OG1 2.53Å
620	A	96.9	Very high	98	Very high	22 Å²	22	46.7 Å²	46.7	18%	0.182	24%	0.243	C	C	.	.	H	α-helix	trans	-68.2	-42.7	175.2	0	0	0	0	0	110.9	P617 T623 Q624	P617-A620 HydrophobicContact CB-CB 4.11Å; P617-A620 HydrophobicContact CG-CB 4.38Å; P617-A620 WeakPolarHBondContact O-CB 3.21Å; P617-A620 PolarHBondContact O-N 3.44Å; A620-T623 PolarHBondContact O-N 3.12Å; A620-Q624 VanDerWaalsContact O-CB 3.28Å; A620-Q624 WeakPolarHBondContact O-CB 3.25Å; A620-Q624 WeakPolarHBondContact O-CG 3.23Å; A620-Q624 PolarHBondContact O-N 3.41Å
621	A	98.4	Very high	98.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.2	-49.6	174.9	0	0	0	0	0	111.8	V523 V608 A611 V612 A616 P617 K618 T623 Q624 M625	V523-A621 HydrophobicContact CG2-CB 4.24Å; V608-A621 HydrophobicContact CG1-CB 4.15Å; A611-A621 HydrophobicContact CB-CB 3.98Å; V612-A621 HydrophobicContact CG2-CB 3.88Å; A616-A621 HydrophobicContact CB-CB 4.13Å; P617-A621 PolarHBondContact O-N 3.47Å; K618-A621 PolarHBondContact O-N 3.37Å; A621-T623 PolarHBondContact O-N 3.11Å; A621-Q624 PolarHBondContact O-N 3.27Å; A621-M625 VanDerWaalsContact O-CB 3.24Å; A621-M625 WeakPolarHBondContact O-CB 3.09Å; A621-M625 WeakPolarHBondContact O-CG 3.38Å; A621-M625 PolarHBondContact O-N 2.8Å
622	Q	98.5	Very high	98.1	Very high	69 Å²	69	46.8 Å²	46.8	32%	0.322	24%	0.243	S	C	.	.	H	α-helix	trans	-53.4	-58.9	176.7	-172.8	66.7	35	0	0	111.5	K618 Q624 M625 E626	K618-Q622 PolarHBondContact O-N 3.17Å; Q622-Q624 PolarHBondContact O-N 3.25Å; Q622-M625 PolarHBondContact O-N 3.25Å; Q622-E626 PolarHBondContact NE2-OE1 3.38Å; Q622-E626 WeakPolarHBondContact O-CB 3.23Å; Q622-E626 VanDerWaalsContact O-CG 3.31Å; Q622-E626 WeakPolarHBondContact O-CG 3.38Å; Q622-E626 PolarHBondContact O-N 2.8Å
623	T	98.4	Very high	98.1	Very high	63 Å²	63	45.3 Å²	45.3	39%	0.387	24%	0.235	S	C	.	.	H	α-helix	trans	-62.7	-40.8	-174.4	-51.3	0	0	0	0	112.2	Q619 A620 A621 K627	Q619-T623 PolarHBondContact O-N 3.34Å; Q619-T623 PolarHBondContact O-OG1 2.53Å; A620-T623 PolarHBondContact O-N 3.12Å; A621-T623 PolarHBondContact O-N 3.11Å; T623-K627 WeakPolarHBondContact O-CG 3.49Å; T623-K627 PolarHBondContact O-N 2.93Å
624	Q	98.6	Very high	98.1	Very high	22 Å²	22	47.3 Å²	47.3	10%	0.103	24%	0.242	C	C	.	.	H	α-helix	trans	-76.9	-34.9	-176.7	-71.2	-180	66.7	0	0	112.4	V523 D526 A620 A621 Q622 K627 A628 N717	V523-Q624 HydrophobicContact CG2-CB 4.21Å; D526-Q624 PolarHBondContact OD2-NE2 3.11Å; A620-Q624 VanDerWaalsContact O-CB 3.28Å; A620-Q624 WeakPolarHBondContact O-CB 3.25Å; A620-Q624 WeakPolarHBondContact O-CG 3.23Å; A620-Q624 PolarHBondContact O-N 3.41Å; A621-Q624 PolarHBondContact O-N 3.27Å; Q622-Q624 PolarHBondContact O-N 3.25Å; Q624-K627 PolarHBondContact O-N 2.9Å; Q624-A628 PolarHBondContact O-N 3.49Å; Q624-N717 PolarHBondContact OE1-ND2 3.34Å
625	M	98.8	Very high	98.2	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-74.7	-32	177.5	-66.2	-56.6	100.5	0	0	112.2	W521 V523 L604 M607 V608 A621 Q622 K627 A628 L629 N717	W521-M625 HydrophobicContact CZ2-CE 3.93Å; W521-M625 HydrophobicContact CZ2-SD 3.67Å; V523-M625 HydrophobicContact CB-CE 4.29Å; V523-M625 HydrophobicContact CG1-CE 4.24Å; V523-M625 HydrophobicContact CG2-CE 4.48Å; L604-M625 HydrophobicContact CD1-CB 3.9Å; M607-M625 HydrophobicContact CB-CB 3.82Å; M607-M625 HydrophobicContact CB-CG 3.79Å; M607-M625 HydrophobicContact CB-SD 3.92Å; M607-M625 HydrophobicContact CE-CB 4.1Å; M607-M625 HydrophobicContact CE-CG 4.48Å; M607-M625 HydrophobicContact CE-SD 3.77Å; V608-M625 HydrophobicContact CG2-CB 3.81Å; V608-M625 HydrophobicContact CG2-CG 4.2Å; A621-M625 VanDerWaalsContact O-CB 3.24Å; A621-M625 WeakPolarHBondContact O-CB 3.09Å; A621-M625 WeakPolarHBondContact O-CG 3.38Å; A621-M625 PolarHBondContact O-N 2.8Å; Q622-M625 PolarHBondContact O-N 3.25Å; M625-K627 VanDerWaalsContact C-N 3.35Å; M625-A628 PolarHBondContact O-N 2.92Å; M625-L629 WeakPolarHBondContact O-CB 3.29Å; M625-L629 PolarHBondContact O-N 2.8Å; M625-N717 HydrophobicContact CE-CB 3.95Å
626	E	98.8	Very high	98.3	Very high	90 Å²	90	45.9 Å²	45.9	42%	0.421	23%	0.227	S	C	.	.	H	α-helix	trans	-58.1	-47.1	168.7	-77.6	170.2	-177.9	0	0	111.4	L604 Q622 A628 L629 D630	L604-E626 HydrophobicContact CD1-CG 3.97Å; L604-E626 HydrophobicContact CD2-CG 3.77Å; L604-E626 HydrophobicContact CG-CG 4.49Å; Q622-E626 PolarHBondContact NE2-OE1 3.38Å; Q622-E626 WeakPolarHBondContact O-CB 3.23Å; Q622-E626 VanDerWaalsContact O-CG 3.31Å; Q622-E626 WeakPolarHBondContact O-CG 3.38Å; Q622-E626 PolarHBondContact O-N 2.8Å; E626-A628 VanDerWaalsContact C-N 3.34Å; E626-A628 PolarHBondContact O-N 2.71Å; E626-L629 PolarHBondContact O-N 2.64Å; E626-D630 PolarHBondContact O-N 2.81Å
627	K	98.8	Very high	98.3	Very high	111 Å²	111	50.4 Å²	50.4	48%	0.483	25%	0.247	S	C	.	.	H	α-helix	trans	-63.3	-39.3	175.6	-69.5	179.2	-179.4	-175.9	0	112.4	T623 Q624 M625 D630 F631 T714	T623-K627 WeakPolarHBondContact O-CG 3.49Å; T623-K627 PolarHBondContact O-N 2.93Å; Q624-K627 PolarHBondContact O-N 2.9Å; M625-K627 VanDerWaalsContact C-N 3.35Å; K627-D630 PolarHBondContact O-N 3.02Å; K627-F631 WeakPolarHBondContact O-CB 3.15Å; K627-F631 PolarHBondContact O-N 2.81Å; K627-T714 HydrophobicContact CB-CG2 3.8Å; K627-T714 WeakPolarHBondContact O-CG2 3.39Å
628	A	98.8	Very high	98.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66.7	-38	177.1	0	0	0	0	0	112.1	M607 Q624 M625 E626 F631 E632 N717	M607-A628 HydrophobicContact CE-CB 3.68Å; Q624-A628 PolarHBondContact O-N 3.49Å; M625-A628 PolarHBondContact O-N 2.92Å; E626-A628 VanDerWaalsContact C-N 3.34Å; E626-A628 PolarHBondContact O-N 2.71Å; A628-F631 PolarHBondContact O-N 3.28Å; A628-E632 PolarHBondContact O-N 3.48Å; A628-N717 HydrophobicContact CB-CB 4.47Å
629	L	98.8	Very high	98.2	Very high	16 Å²	16	43.1 Å²	43.1	8%	0.084	21%	0.212	C	C	.	.	H	α-helix	trans	-69.2	-40.2	174.3	178.3	59.9	0	0	0	112.1	Y589 R600 L603 L604 M607 M625 E626 F631 E632 T633	Y589-L629 HydrophobicContact CE1-CD1 3.97Å; R600-L629 HydrophobicContact CB-CD2 4.49Å; L603-L629 HydrophobicContact CD2-CD1 3.78Å; L603-L629 HydrophobicContact CG-CD1 4.43Å; L604-L629 HydrophobicContact CB-CD2 3.8Å; L604-L629 HydrophobicContact CD1-CD2 4.44Å; L604-L629 HydrophobicContact CG-CD2 4.49Å; M607-L629 HydrophobicContact CE-CB 4.5Å; M607-L629 HydrophobicContact SD-CB 4.27Å; M625-L629 WeakPolarHBondContact O-CB 3.29Å; M625-L629 PolarHBondContact O-N 2.8Å; E626-L629 PolarHBondContact O-N 2.64Å; L629-F631 VanDerWaalsContact C-N 3.29Å; L629-F631 PolarHBondContact O-N 2.91Å; L629-E632 PolarHBondContact O-N 3.36Å; L629-T633 WeakPolarHBondContact O-CB 3.03Å; L629-T633 PolarHBondContact O-N 3Å; L629-T633 PolarHBondContact O-OG1 3.49Å
630	D	98.6	Very high	98.2	Very high	78 Å²	78	36.9 Å²	36.9	42%	0.417	18%	0.184	S	C	.	.	H	α-helix	trans	-60	-41.9	172.3	174.3	62.5	0	0	0	111.1	E626 K627 T633 K634	E626-D630 PolarHBondContact O-N 2.81Å; K627-D630 PolarHBondContact O-N 3.02Å; D630-T633 WeakPolarHBondContact O-CB 3.45Å; D630-T633 PolarHBondContact O-N 3.22Å; D630-K634 WeakPolarHBondContact O-CG 3.47Å; D630-K634 PolarHBondContact O-N 2.95Å; D630-K634 IonicContact OD1-NZ 3.88Å; D630-K634 VanDerWaalsContact OD2-CE 3.23Å; D630-K634 WeakPolarHBondContact OD2-CE 3.42Å; D630-K634 IonicContact OD2-NZ 2.66Å; D630-K634 PolarHBondContact OD2-NZ 3.36Å
631	F	98.8	Very high	97.9	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-62.3	-46.2	174.1	-177.5	-110.5	0	0	0	112.4	L557 K627 A628 L629 T633 K634 I635 L706 I707 T710 T714 V715 Y718	L557-F631 HydrophobicContact CD2-CE1 4.27Å; K627-F631 WeakPolarHBondContact O-CB 3.15Å; K627-F631 PolarHBondContact O-N 2.81Å; A628-F631 PolarHBondContact O-N 3.28Å; L629-F631 VanDerWaalsContact C-N 3.29Å; L629-F631 PolarHBondContact O-N 2.91Å; F631-T633 VanDerWaalsContact C-N 3.28Å; F631-T633 PolarHBondContact O-N 2.69Å; F631-K634 WeakPolarHBondContact O-CB 3.42Å; F631-K634 PolarHBondContact O-N 2.86Å; F631-K634 VanDerWaalsContact O-N 3.17Å; F631-I635 HydrophobicContact CD1-CD1 3.84Å; F631-I635 HydrophobicContact CE1-CD1 3.54Å; F631-I635 HydrophobicContact CE1-CG1 4.37Å; F631-I635 HydrophobicContact CZ-CD1 4.06Å; F631-I635 HydrophobicContact CZ-CG1 4.48Å; F631-I635 WeakPolarHBondContact O-CG1 3.43Å; F631-I635 PolarHBondContact O-N 2.66Å; F631-L706 HydrophobicContact CD2-CD2 4.48Å; F631-L706 HydrophobicContact CD2-CG 4.34Å; F631-L706 HydrophobicContact CE2-CD1 4.46Å; F631-L706 HydrophobicContact CE2-CD2 4.12Å; F631-L706 HydrophobicContact CE2-CG 3.83Å; F631-I707 HydrophobicContact CZ-CG1 4.15Å; F631-T710 HydrophobicContact CD2-CG2 3.69Å; F631-T710 HydrophobicContact CE2-CG2 4Å; F631-T710 HydrophobicContact CG-CG2 4.47Å; F631-T714 HydrophobicContact CB-CG2 4.11Å; F631-V715 HydrophobicContact CE1-CG1 4.3Å; F631-V715 HydrophobicContact CE1-CG2 4.37Å; F631-V715 HydrophobicContact CE2-CG2 4.04Å; F631-V715 HydrophobicContact CZ-CB 4.5Å; F631-V715 HydrophobicContact CZ-CG1 4.21Å; F631-V715 HydrophobicContact CZ-CG2 3.88Å; F631-Y718 AromaticContact CD1-CD1 3.79Å; F631-Y718 HydrophobicContact CD1-CD1 3.79Å; F631-Y718 HydrophobicContact CD1-CD2 4.44Å; F631-Y718 AromaticContact CD1-CG 3.71Å; F631-Y718 HydrophobicContact CD1-CG 3.71Å; F631-Y718 AromaticContact CE1-CD1 3.7Å; F631-Y718 HydrophobicContact CE1-CD1 3.7Å; F631-Y718 HydrophobicContact CE1-CE1 4.38Å; F631-Y718 HydrophobicContact CE1-CG 4.1Å
632	E	98.6	Very high	97.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.8	-37.3	174.8	-168.2	168.1	-133.4	0	0	112.2	L581 S582 Y589 A628 L629 K634 I635 A636 Y718	L581-E632 WeakPolarHBondContact CA-OE1 3.42Å; L581-E632 HydrophobicContact CB-CG 4.48Å; L581-E632 HydrophobicContact CD2-CG 3.92Å; S582-E632 WeakPolarHBondContact CB-OE2 3.26Å; S582-E632 PolarHBondContact N-OE1 3.16Å; Y589-E632 HydrophobicContact CE1-CB 4.29Å; Y589-E632 HydrophobicContact CE1-CG 3.84Å; Y589-E632 PolarHBondContact OH-OE2 2.9Å; A628-E632 PolarHBondContact O-N 3.48Å; L629-E632 PolarHBondContact O-N 3.36Å; E632-K634 VanDerWaalsContact C-N 3.33Å; E632-K634 PolarHBondContact O-N 2.84Å; E632-I635 WeakPolarHBondContact O-CB 3.1Å; E632-I635 PolarHBondContact O-N 3.2Å; E632-I635 VanDerWaalsContact O-N 3.15Å; E632-A636 PolarHBondContact O-N 2.7Å; E632-Y718 HydrophobicContact CB-CD2 4.01Å; E632-Y718 HydrophobicContact CB-CE2 3.57Å; E632-Y718 VanDerWaalsContact CD-CE2 3.44Å; E632-Y718 HydrophobicContact CG-CE2 3.6Å; E632-Y718 WeakPolarHBondContact OE1-CE2 3.25Å; E632-Y718 PolarHBondContact OE1-OH 3.09Å
633	T	98.6	Very high	97	Very high	22 Å²	22	42.1 Å²	42.1	14%	0.135	20%	0.204	C	C	.	.	H	α-helix	trans	-61.6	-42.1	174.8	-58.3	0	0	0	0	110.9	L629 D630 F631 I635 A636 H637	L629-T633 WeakPolarHBondContact O-CB 3.03Å; L629-T633 PolarHBondContact O-N 3Å; L629-T633 PolarHBondContact O-OG1 3.49Å; D630-T633 WeakPolarHBondContact O-CB 3.45Å; D630-T633 PolarHBondContact O-N 3.22Å; F631-T633 VanDerWaalsContact C-N 3.28Å; F631-T633 PolarHBondContact O-N 2.69Å; T633-I635 VanDerWaalsContact C-N 3.34Å; T633-I635 PolarHBondContact O-N 2.86Å; T633-A636 WeakPolarHBondContact O-CB 3.48Å; T633-A636 PolarHBondContact O-N 2.98Å; T633-H637 PolarHBondContact O-N 3.49Å; T633-H637 PolarHBondContact O-ND1 2.64Å
634	K	98.6	Very high	96.6	Very high	88 Å²	88	43.1 Å²	43.1	38%	0.383	21%	0.206	S	C	.	.	H	α-helix	trans	-64.5	-37	173.9	-70.8	166.1	-179.9	162.6	0	112.2	D630 F631 E632 H637 I638 L706	D630-K634 WeakPolarHBondContact O-CG 3.47Å; D630-K634 PolarHBondContact O-N 2.95Å; D630-K634 IonicContact OD1-NZ 3.88Å; D630-K634 VanDerWaalsContact OD2-CE 3.23Å; D630-K634 WeakPolarHBondContact OD2-CE 3.42Å; D630-K634 IonicContact OD2-NZ 2.66Å; D630-K634 PolarHBondContact OD2-NZ 3.36Å; F631-K634 WeakPolarHBondContact O-CB 3.42Å; F631-K634 PolarHBondContact O-N 2.86Å; F631-K634 VanDerWaalsContact O-N 3.17Å; E632-K634 VanDerWaalsContact C-N 3.33Å; E632-K634 PolarHBondContact O-N 2.84Å; K634-H637 PolarHBondContact O-N 3.02Å; K634-I638 PolarHBondContact O-N 2.92Å; K634-L706 HydrophobicContact CB-CD1 3.91Å; K634-L706 HydrophobicContact CB-CD2 3.74Å; K634-L706 HydrophobicContact CB-CG 4.49Å; K634-L706 HydrophobicContact CD-CD1 3.93Å; K634-L706 HydrophobicContact CG-CD1 4.44Å
635	I	98.5	Very high	96.2	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-45.4	172.2	-64.2	166.7	0	0	0	110.2	L557 L581 F631 E632 T633 H637 I638 L639 Y699 L703 L706 Y718	L557-I635 HydrophobicContact CD2-CD1 3.39Å; L557-I635 HydrophobicContact CD2-CG1 4.45Å; L581-I635 HydrophobicContact CD2-CB 4.42Å; L581-I635 HydrophobicContact CD2-CG2 3.86Å; F631-I635 HydrophobicContact CD1-CD1 3.84Å; F631-I635 HydrophobicContact CE1-CD1 3.54Å; F631-I635 HydrophobicContact CE1-CG1 4.37Å; F631-I635 HydrophobicContact CZ-CD1 4.06Å; F631-I635 HydrophobicContact CZ-CG1 4.48Å; F631-I635 WeakPolarHBondContact O-CG1 3.43Å; F631-I635 PolarHBondContact O-N 2.66Å; E632-I635 WeakPolarHBondContact O-CB 3.1Å; E632-I635 PolarHBondContact O-N 3.2Å; E632-I635 VanDerWaalsContact O-N 3.15Å; T633-I635 VanDerWaalsContact C-N 3.34Å; T633-I635 PolarHBondContact O-N 2.86Å; I635-H637 PolarHBondContact O-N 2.81Å; I635-I638 WeakPolarHBondContact O-CG1 3.34Å; I635-I638 PolarHBondContact O-N 3.38Å; I635-L639 HydrophobicContact CG2-CG 4.46Å; I635-L639 PolarHBondContact O-N 3.46Å; I635-L639 VanDerWaalsContact O-N 3.07Å; I635-Y699 HydrophobicContact CG2-CE2 4.16Å; I635-L703 HydrophobicContact CG1-CD1 4.48Å; I635-L706 HydrophobicContact CG1-CD2 3.97Å; I635-Y718 HydrophobicContact CD1-CD1 4.27Å; I635-Y718 HydrophobicContact CD1-CE1 3.74Å
636	A	98.1	Very high	95.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57	-35.4	179.1	0	0	0	0	0	112.7	L581 R586 Y589 T590 E632 T633 I638	L581-A636 HydrophobicContact CD1-CB 3.6Å; R586-A636 HydrophobicContact CG-CB 4.46Å; R586-A636 PolarHBondContact NE-O 3.36Å; Y589-A636 HydrophobicContact CD2-CB 4.04Å; Y589-A636 HydrophobicContact CG-CB 3.79Å; T590-A636 HydrophobicContact CG2-CB 4.27Å; E632-A636 PolarHBondContact O-N 2.7Å; T633-A636 WeakPolarHBondContact O-CB 3.48Å; T633-A636 PolarHBondContact O-N 2.98Å; A636-I638 PolarHBondContact O-N 3.42Å
637	H	97.7	Very high	95.5	Very high	103 Å²	103	43 Å²	43	48%	0.477	21%	0.208	S	C	.	.	H	α-helix	trans	-67.3	-32.7	177	-74.4	83.8	0	0	0	113.4	R586 T633 K634 I635	R586-H637 PolarHBondContact NH2-O 2.62Å; T633-H637 PolarHBondContact O-N 3.49Å; T633-H637 PolarHBondContact O-ND1 2.64Å; K634-H637 PolarHBondContact O-N 3.02Å; I635-H637 PolarHBondContact O-N 2.81Å
638	I	97.6	Very high	95	Very high	36 Å²	36	41.8 Å²	41.8	19%	0.185	20%	0.204	C	C	.	.	H	α-helix	trans	-92.5	-10.6	-178.7	64.4	165.4	0	0	0	113.9	K634 I635 A636 Y699 D702 L703 L706	K634-I638 PolarHBondContact O-N 2.92Å; I635-I638 WeakPolarHBondContact O-CG1 3.34Å; I635-I638 PolarHBondContact O-N 3.38Å; A636-I638 PolarHBondContact O-N 3.42Å; I638-Y699 HydrophobicContact CD1-CD2 4.06Å; I638-Y699 HydrophobicContact CD1-CE2 3.99Å; I638-Y699 HydrophobicContact CG1-CD2 4.01Å; I638-Y699 HydrophobicContact CG1-CE2 4.07Å; I638-D702 HydrophobicContact CB-CB 4.08Å; I638-D702 HydrophobicContact CD1-CB 4.19Å; I638-D702 HydrophobicContact CG2-CB 4Å; I638-L703 HydrophobicContact CD1-CB 3.9Å; I638-L703 HydrophobicContact CD1-CD1 4.38Å; I638-L706 HydrophobicContact CD1-CD2 4.19Å
639	L	96.4	Very high	94.8	Very high	18 Å²	18	46.4 Å²	46.4	9%	0.094	23%	0.229	C	C	.	.	S	Bend	trans	-59.3	141	173.7	-74.7	177.5	0	0	0	110.9	Q578 L581 I635 P641 Y699	Q578-L639 HydrophobicContact CB-CD2 3.67Å; Q578-L639 VanDerWaalsContact CD-CD2 3.48Å; Q578-L639 HydrophobicContact CG-CD2 3.73Å; L581-L639 HydrophobicContact CD1-CD1 3.62Å; L581-L639 HydrophobicContact CD2-CD1 4.01Å; L581-L639 HydrophobicContact CG-CD1 3.76Å; I635-L639 HydrophobicContact CG2-CG 4.46Å; I635-L639 PolarHBondContact O-N 3.46Å; I635-L639 VanDerWaalsContact O-N 3.07Å; L639-P641 WeakPolarHBondContact O-CD 3.39Å; L639-Y699 HydrophobicContact CD2-CD2 4Å; L639-Y699 HydrophobicContact CD2-CE2 3.59Å; L639-Y699 HydrophobicContact CG-CE2 4.41Å
640	I	95.6	Very high	94.6	Very high	33 Å²	33	46 Å²	46	17%	0.169	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-75.7	122.5	170	-50.1	-55.1	0	0	0	107.9	Q578 N644 R645 T696 K698	Q578-I640 PolarHBondContact NE2-O 3.15Å; I640-N644 HydrophobicContact CG2-CB 4.07Å; I640-R645 HydrophobicContact CB-CG 4.17Å; I640-R645 HydrophobicContact CG2-CG 3.75Å; I640-R645 WeakPolarHBondContact O-CD 3.36Å; I640-T696 HydrophobicContact CB-CG2 4.32Å; I640-T696 HydrophobicContact CG1-CG2 3.87Å; I640-K698 HydrophobicContact CD1-CB 4.48Å
641	P	91.8	Very high	94.5	Very high	40 Å²	40	44 Å²	44	26%	0.26	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-60	151.4	177.4	-24.2	34.9	0	0	0	112.5	L639 E643 N644 R645	L639-P641 WeakPolarHBondContact O-CD 3.39Å; P641-E643 VanDerWaalsContact C-N 3.27Å; P641-E643 PolarHBondContact O-N 3.16Å; P641-N644 PolarHBondContact O-N 2.59Å; P641-N644 VanDerWaalsContact O-N 3.09Å; P641-R645 WeakPolarHBondContact O-CG 3.46Å
642	Y	89.6	Confident	94.4	Very high	122 Å²	122	46.2 Å²	46.2	48%	0.478	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-54.6	-43.8	-176.9	-178.3	-93.4	0	0	0	112.2	N644 R645 R991	Y642-N644 PolarHBondContact O-N 3.11Å; Y642-N644 VanDerWaalsContact O-N 3.1Å; Y642-R645 WeakPolarHBondContact O-CB 3.39Å; Y642-R645 PolarHBondContact O-N 2.97Å; Y642-R991 HydrophobicContact CD1-CG 3.91Å; Y642-R991 HydrophobicContact CE1-CG 4.25Å
643	E	87.1	Confident	94.4	Very high	40 Å²	40	50.7 Å²	50.7	19%	0.187	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-66.1	-15.7	-176.4	-56.4	80.5	-177.8	0	0	113.4	P641 R988 K990 R991	P641-E643 VanDerWaalsContact C-N 3.27Å; P641-E643 PolarHBondContact O-N 3.16Å; E643-R988 IonicContact OE1-NH1 3.05Å; E643-K990 HydrophobicContact CB-CD 4.33Å; E643-R991 HydrophobicContact CG-CB 4.05Å; E643-R991 IonicContact OE1-CZ 2.71Å; E643-R991 IonicContact OE1-NH1 2.64Å; E643-R991 PolarHBondContact OE1-NH1 3.26Å
644	N	90	Very high	94.4	Very high	83 Å²	83	51.6 Å²	51.6	44%	0.444	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-102.4	-2.1	178.8	-69.5	-10.1	0	0	0	112.9	I640 P641 Y642 T646	I640-N644 HydrophobicContact CG2-CB 4.07Å; P641-N644 PolarHBondContact O-N 2.59Å; P641-N644 VanDerWaalsContact O-N 3.09Å; Y642-N644 PolarHBondContact O-N 3.11Å; Y642-N644 VanDerWaalsContact O-N 3.1Å; N644-T646 VanDerWaalsContact C-N 3.35Å; N644-T646 PolarHBondContact O-N 3.29Å
645	R	91.6	Very high	94.3	Very high	54 Å²	54	49.8 Å²	49.8	20%	0.204	24%	0.242	C	C	.	.			trans	-91.9	60.4	-176	-68.2	168.9	56.7	87.2	6.7	111.8	D577 I640 P641 Y642 M650	D577-R645 IonicContact OD1-CZ 3.53Å; D577-R645 IonicContact OD1-NH1 2.76Å; D577-R645 PolarHBondContact OD1-NH1 2.62Å; D577-R645 IonicContact OD1-NH2 3.65Å; D577-R645 PolarHBondContact OD1-NH2 3.01Å; D577-R645 IonicContact OD2-CZ 3.39Å; D577-R645 IonicContact OD2-NH1 3.4Å; D577-R645 IonicContact OD2-NH2 2.82Å; D577-R645 PolarHBondContact OD2-NH2 3.15Å; I640-R645 HydrophobicContact CB-CG 4.17Å; I640-R645 HydrophobicContact CG2-CG 3.75Å; I640-R645 WeakPolarHBondContact O-CD 3.36Å; P641-R645 WeakPolarHBondContact O-CG 3.46Å; Y642-R645 WeakPolarHBondContact O-CB 3.39Å; Y642-R645 PolarHBondContact O-N 2.97Å; R645-M650 HydrophobicContact CB-CG 4.16Å; R645-M650 HydrophobicContact CB-SD 3.93Å; R645-M650 HydrophobicContact CG-CE 4.35Å; R645-M650 HydrophobicContact CG-SD 3.9Å
646	T	90.4	Very high	94.3	Very high	48 Å²	48	49.7 Å²	49.7	29%	0.294	24%	0.242	S	C	.	.			trans	-70.8	151	176.5	68	0	0	0	0	112	N644 E648 N649 M650	N644-T646 VanDerWaalsContact C-N 3.35Å; N644-T646 PolarHBondContact O-N 3.29Å; T646-E648 VanDerWaalsContact C-N 3.26Å; T646-E648 PolarHBondContact O-N 2.85Å; T646-N649 PolarHBondContact O-N 3.49Å; T646-N649 VanDerWaalsContact O-N 3.14Å; T646-N649 WeakPolarHBondContact OG1-CB 3.46Å; T646-N649 VanDerWaalsContact OG1-CG 3.26Å; T646-N649 PolarHBondContact OG1-N 3.39Å; T646-N649 PolarHBondContact OG1-ND2 2.97Å; T646-M650 WeakPolarHBondContact O-CB 3.24Å; T646-M650 WeakPolarHBondContact O-CG 3.45Å; T646-M650 PolarHBondContact O-N 2.82Å
647	S	90.7	Very high	94.3	Very high	9 Å²	9	51.6 Å²	51.6	6%	0.063	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-36.1	-178.2	-74.2	0	0	0	0	114.1	Y651 N942 Y946	S647-Y651 PolarHBondContact O-N 3.38Å; S647-N942 WeakPolarHBondContact CB-OD1 3.46Å; S647-N942 PolarHBondContact OG-OD1 2.8Å; S647-Y946 PolarHBondContact OG-OH 2.05Å
648	E	89.9	Confident	94.3	Very high	84 Å²	84	53.2 Å²	53.2	39%	0.393	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-46.5	176.6	-52.8	93.5	142.3	0	0	111.8	T646 M650 Y651 K945	T646-E648 VanDerWaalsContact C-N 3.26Å; T646-E648 PolarHBondContact O-N 2.85Å; E648-M650 PolarHBondContact O-N 2.89Å; E648-Y651 PolarHBondContact O-N 2.94Å; E648-Y651 VanDerWaalsContact O-N 3.14Å; E648-K945 WeakPolarHBondContact OE1-CD 3.29Å; E648-K945 WeakPolarHBondContact OE1-CE 3.47Å; E648-K945 IonicContact OE1-NZ 2.7Å; E648-K945 PolarHBondContact OE1-NZ 3.25Å; E648-K945 IonicContact OE2-NZ 3.23Å; E648-K945 PolarHBondContact OE2-NZ 2.8Å
649	N	92.9	Very high	94.3	Very high	98 Å²	98	51.6 Å²	51.6	52%	0.524	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-27.3	-179.8	-71.9	-13.3	0	0	0	112	T646 Y651 N652	T646-N649 PolarHBondContact O-N 3.49Å; T646-N649 VanDerWaalsContact O-N 3.14Å; T646-N649 WeakPolarHBondContact OG1-CB 3.46Å; T646-N649 VanDerWaalsContact OG1-CG 3.26Å; T646-N649 PolarHBondContact OG1-N 3.39Å; T646-N649 PolarHBondContact OG1-ND2 2.97Å; N649-Y651 VanDerWaalsContact C-N 3.35Å; N649-N652 PolarHBondContact O-ND2 3.3Å
650	M	95.3	Very high	94.4	Very high	8 Å²	8	53 Å²	53	4%	0.039	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-5.5	177.3	-59.9	-64.1	93.4	0	0	113.2	R645 T646 E648 N652 I693 R695 T696	R645-M650 HydrophobicContact CB-CG 4.16Å; R645-M650 HydrophobicContact CB-SD 3.93Å; R645-M650 HydrophobicContact CG-CE 4.35Å; R645-M650 HydrophobicContact CG-SD 3.9Å; T646-M650 WeakPolarHBondContact O-CB 3.24Å; T646-M650 WeakPolarHBondContact O-CG 3.45Å; T646-M650 PolarHBondContact O-N 2.82Å; E648-M650 PolarHBondContact O-N 2.89Å; M650-N652 PolarHBondContact O-N 2.97Å; M650-I693 WeakPolarHBondContact O-CG2 3.2Å; M650-R695 WeakPolarHBondContact CA-O 3.42Å; M650-R695 HydrophobicContact CB-CB 4.27Å; M650-R695 HydrophobicContact CB-CG 4.45Å; M650-R695 WeakPolarHBondContact CE-O 3.05Å; M650-R695 WeakPolarHBondContact O-CA 3.46Å; M650-R695 HydrophobicContact SD-CB 4.13Å; M650-T696 HydrophobicContact CE-CG2 4.13Å; M650-T696 HydrophobicContact SD-CG2 3.76Å
651	Y	96.9	Very high	94.4	Very high	34 Å²	34	60.9 Å²	60.9	13%	0.133	28%	0.282	C	S	.	.			trans	-95.8	83.6	176.6	-166.4	-90.9	0	0	0	111.7	D565 D566 K567 S647 E648 N649 K653 I693 L952	D565-Y651 WeakPolarHBondContact OD1-CE2 3.46Å; D565-Y651 PolarHBondContact OD1-OH 2.85Å; D565-Y651 PolarHBondContact OD2-OH 3.36Å; D566-Y651 HydrophobicContact CB-CD2 3.76Å; D566-Y651 HydrophobicContact CB-CE2 3.97Å; K567-Y651 HydrophobicContact CB-CE1 4.38Å; K567-Y651 HydrophobicContact CB-CE2 4.1Å; K567-Y651 HydrophobicContact CD-CD1 3.98Å; K567-Y651 HydrophobicContact CD-CE1 3.5Å; K567-Y651 HydrophobicContact CD-CE2 4.48Å; K567-Y651 HydrophobicContact CG-CD1 4.17Å; K567-Y651 HydrophobicContact CG-CD2 4.26Å; K567-Y651 HydrophobicContact CG-CE1 3.74Å; K567-Y651 HydrophobicContact CG-CE2 3.79Å; K567-Y651 HydrophobicContact CG-CG 4.42Å; S647-Y651 PolarHBondContact O-N 3.38Å; E648-Y651 PolarHBondContact O-N 2.94Å; E648-Y651 VanDerWaalsContact O-N 3.14Å; N649-Y651 VanDerWaalsContact C-N 3.35Å; Y651-K653 HydrophobicContact CE1-CB 4.18Å; Y651-I693 HydrophobicContact CD2-CD1 3.83Å; Y651-I693 HydrophobicContact CD2-CG1 4.45Å; Y651-I693 HydrophobicContact CE2-CD1 3.39Å; Y651-I693 HydrophobicContact CE2-CG1 4.11Å; Y651-L952 HydrophobicContact CD2-CD2 4.47Å; Y651-L952 HydrophobicContact CG-CD2 4.33Å
652	N	97.4	Very high	94.6	Very high	48 Å²	48	61.2 Å²	61.2	26%	0.257	29%	0.286	S	S	.	.			trans	-116.9	98.7	174.2	-46.5	-93.4	0	0	0	109.6	N649 M650 Y654 I693 V694 P697	N649-N652 PolarHBondContact O-ND2 3.3Å; M650-N652 PolarHBondContact O-N 2.97Å; N652-Y654 HydrophobicContact CB-CD2 4.33Å; N652-Y654 HydrophobicContact CB-CE2 3.7Å; N652-Y654 VanDerWaalsContact O-CD2 3.29Å; N652-Y654 WeakPolarHBondContact O-CD2 3.39Å; N652-I693 WeakPolarHBondContact O-CA 3.28Å; N652-V694 VanDerWaalsContact CB-O 3.26Å; N652-V694 WeakPolarHBondContact CB-O 3.3Å; N652-V694 PolarHBondContact ND2-O 2.93Å; N652-V694 PolarHBondContact O-N 2.97Å; N652-P697 HydrophobicContact CB-CG 3.85Å; N652-P697 WeakPolarHBondContact ND2-CD 3.49Å
653	K	97.6	Very high	94.8	Very high	95 Å²	95	55.4 Å²	55.4	41%	0.413	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	124.5	-178.6	-164.8	165.2	-172.1	156.7	0	111.1	D565 Y651 V692	D565-K653 IonicContact OD2-NZ 2.62Å; D565-K653 PolarHBondContact OD2-NZ 2.79Å; Y651-K653 HydrophobicContact CE1-CB 4.18Å; K653-V692 WeakPolarHBondContact CA-O 3.28Å
654	Y	98	Very high	95.2	Very high	40 Å²	40	57.3 Å²	57.3	16%	0.157	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	157.3	175.8	-72.1	-101.5	0	0	0	109.8	N652 R658 L659 P691 V692 V694 P697	N652-Y654 HydrophobicContact CB-CD2 4.33Å; N652-Y654 HydrophobicContact CB-CE2 3.7Å; N652-Y654 VanDerWaalsContact O-CD2 3.29Å; N652-Y654 WeakPolarHBondContact O-CD2 3.39Å; Y654-R658 HydrophobicContact CD1-CB 4.33Å; Y654-R658 HydrophobicContact CD1-CG 3.94Å; Y654-R658 HydrophobicContact CE1-CG 4.48Å; Y654-L659 HydrophobicContact CD1-CB 4.3Å; Y654-L659 HydrophobicContact CG-CB 4.44Å; Y654-P691 CarbonylContact O-C 3.51Å; Y654-P691 WeakPolarHBondContact O-CA 3.42Å; Y654-V692 PolarHBondContact N-O 3.32Å; Y654-V692 PolarHBondContact O-N 3.08Å; Y654-V694 HydrophobicContact CD2-CB 3.86Å; Y654-V694 HydrophobicContact CD2-CG2 3.52Å; Y654-V694 HydrophobicContact CE2-CB 3.94Å; Y654-V694 HydrophobicContact CE2-CG2 4.03Å; Y654-V694 HydrophobicContact CG-CG2 4.15Å; Y654-P697 HydrophobicContact CE2-CG 4.38Å
655	T	98.4	Very high	95.3	Very high	50 Å²	50	58.5 Å²	58.5	31%	0.307	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	152.7	150.6	61.7	0	0	0	0	108.6	S657 R658 L659 E690	T655-S657 PolarHBondContact O-N 2.64Å; T655-S657 PolarHBondContact OG1-OG 2.04Å; T655-R658 WeakPolarHBondContact O-CB 3.49Å; T655-R658 PolarHBondContact O-N 3.4Å; T655-R658 VanDerWaalsContact OG1-CB 3.31Å; T655-R658 WeakPolarHBondContact OG1-CB 3.01Å; T655-R658 PolarHBondContact OG1-N 3.33Å; T655-R658 VanDerWaalsContact OG1-N 3.16Å; T655-L659 PolarHBondContact O-N 2.86Å; T655-E690 CarbonylContact C-O 3.4Å; T655-E690 VanDerWaalsContact CA-O 3.29Å; T655-E690 WeakPolarHBondContact CA-O 3.19Å
656	L	98.2	Very high	95.5	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-55.9	-39	176.4	-73.4	179.9	0	0	0	112.8	R658 L659 Q660 L669 V672 I686 E690 V692	L656-R658 PolarHBondContact O-N 3.43Å; L656-L659 HydrophobicContact CD2-CD2 4.48Å; L656-L659 PolarHBondContact O-N 3.07Å; L656-Q660 WeakPolarHBondContact O-CB 3.29Å; L656-Q660 PolarHBondContact O-N 3.26Å; L656-L669 HydrophobicContact CB-CD1 4.49Å; L656-L669 HydrophobicContact CD1-CD1 3.72Å; L656-V672 HydrophobicContact CD1-CB 4.13Å; L656-V672 HydrophobicContact CD1-CG1 4.13Å; L656-V672 HydrophobicContact CD1-CG2 4.49Å; L656-V672 HydrophobicContact CD2-CB 4.46Å; L656-V672 HydrophobicContact CD2-CG2 3.94Å; L656-I686 HydrophobicContact CD1-CG2 3.49Å; L656-I686 VanDerWaalsContact CD1-CG2 3.49Å; L656-E690 HydrophobicContact CD1-CB 3.71Å; L656-E690 HydrophobicContact CD1-CG 4.25Å; L656-E690 HydrophobicContact CG-CB 4Å; L656-E690 PolarHBondContact N-O 3.4Å; L656-V692 HydrophobicContact CD2-CG1 3.7Å; L656-V692 HydrophobicContact CD2-CG2 4.09Å; L656-V692 HydrophobicContact CG-CG1 4.04Å
657	S	97.9	Very high	95.9	Very high	39 Å²	39	58.2 Å²	58.2	27%	0.273	28%	0.282	S	S	.	.	H	α-helix	trans	-61.8	-37.3	173.4	48.2	0	0	0	0	113.6	T655 R661 S688	T655-S657 PolarHBondContact O-N 2.64Å; T655-S657 PolarHBondContact OG1-OG 2.04Å; S657-R661 WeakPolarHBondContact O-CG 3.34Å; S657-R661 PolarHBondContact O-N 3.21Å; S657-R661 VanDerWaalsContact O-N 3.17Å; S657-R661 PolarHBondContact O-NE 3.14Å; S657-S688 WeakPolarHBondContact CB-O 3.38Å; S657-S688 PolarHBondContact N-O 3.18Å; S657-S688 PolarHBondContact OG-O 3Å
658	R	97.9	Very high	96.2	Very high	138 Å²	138	57.8 Å²	57.8	52%	0.521	28%	0.279	S	S	.	.	H	α-helix	trans	-71.3	-42.4	174.5	-174.5	-176.8	178.5	-173.4	0.5	110.8	Y654 T655 L656 R661 S662	Y654-R658 HydrophobicContact CD1-CB 4.33Å; Y654-R658 HydrophobicContact CD1-CG 3.94Å; Y654-R658 HydrophobicContact CE1-CG 4.48Å; T655-R658 WeakPolarHBondContact O-CB 3.49Å; T655-R658 PolarHBondContact O-N 3.4Å; T655-R658 VanDerWaalsContact OG1-CB 3.31Å; T655-R658 WeakPolarHBondContact OG1-CB 3.01Å; T655-R658 PolarHBondContact OG1-N 3.33Å; T655-R658 VanDerWaalsContact OG1-N 3.16Å; L656-R658 PolarHBondContact O-N 3.43Å; R658-R661 PolarHBondContact O-N 3.48Å; R658-S662 WeakPolarHBondContact O-CB 3.45Å; R658-S662 PolarHBondContact O-N 2.93Å; R658-S662 PolarHBondContact O-OG 2.96Å
659	L	97.3	Very high	96.5	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-59.1	-49.7	176.5	-179.6	56.2	0	0	0	110.4	L576 Y654 T655 L656 R661 S662 M663 W668 V692 V694	L576-L659 HydrophobicContact CD1-CD2 3.73Å; Y654-L659 HydrophobicContact CD1-CB 4.3Å; Y654-L659 HydrophobicContact CG-CB 4.44Å; T655-L659 PolarHBondContact O-N 2.86Å; L656-L659 HydrophobicContact CD2-CD2 4.48Å; L656-L659 PolarHBondContact O-N 3.07Å; L659-R661 VanDerWaalsContact C-N 3.34Å; L659-R661 PolarHBondContact O-N 3.42Å; L659-S662 WeakPolarHBondContact CA-OG 3.38Å; L659-S662 PolarHBondContact O-N 3.33Å; L659-S662 PolarHBondContact O-OG 3.48Å; L659-M663 HydrophobicContact CD1-CE 4.1Å; L659-M663 HydrophobicContact CD1-CG 4.5Å; L659-M663 HydrophobicContact CD1-SD 4.09Å; L659-M663 PolarHBondContact O-N 3.23Å; L659-W668 HydrophobicContact CD2-CB 4.09Å; L659-W668 HydrophobicContact CD2-CD2 3.71Å; L659-W668 HydrophobicContact CD2-CE3 3.86Å; L659-W668 HydrophobicContact CD2-CG 3.82Å; L659-W668 HydrophobicContact CG-CB 4.31Å; L659-W668 HydrophobicContact CG-CD2 3.94Å; L659-W668 HydrophobicContact CG-CG 3.8Å; L659-V692 HydrophobicContact CD2-CG2 4.29Å; L659-V694 HydrophobicContact CD1-CG2 4.04Å; L659-V694 HydrophobicContact CD2-CG2 3.96Å
660	Q	97.4	Very high	96.7	Very high	49 Å²	49	52.1 Å²	52.1	23%	0.229	26%	0.255	C	S	.	.	H	α-helix	trans	-55.6	-45.2	176.8	-169	62.3	48.9	0	0	112.4	L656 S662 M663 P664 F666	L656-Q660 WeakPolarHBondContact O-CB 3.29Å; L656-Q660 PolarHBondContact O-N 3.26Å; Q660-S662 VanDerWaalsContact C-N 3.32Å; Q660-S662 PolarHBondContact O-N 3.43Å; Q660-M663 CarbonylContact O-C 3.51Å; Q660-P664 WeakPolarHBondContact O-CA 3.45Å; Q660-F666 PolarHBondContact NE2-O 3.44Å; Q660-F666 PolarHBondContact OE1-O 3.39Å
661	R	96.7	Very high	96.8	Very high	197 Å²	197	51.9 Å²	51.9	74%	0.743	25%	0.254	S	S	*	.	H	α-helix	trans	-65.7	-34.6	176.4	-74.5	-174.4	-67.9	177.3	-0.4	112.9	S657 R658 L659	S657-R661 WeakPolarHBondContact O-CG 3.34Å; S657-R661 PolarHBondContact O-N 3.21Å; S657-R661 VanDerWaalsContact O-N 3.17Å; S657-R661 PolarHBondContact O-NE 3.14Å; R658-R661 PolarHBondContact O-N 3.48Å; L659-R661 VanDerWaalsContact C-N 3.34Å; L659-R661 PolarHBondContact O-N 3.42Å
662	S	94.6	Very high	96.8	Very high	47 Å²	47	50.2 Å²	50.2	33%	0.329	25%	0.248	S	C	.	.	H	α-helix	trans	-81.1	-24.6	-177.6	71.5	0	0	0	0	114.3	R658 L659 Q660	R658-S662 WeakPolarHBondContact O-CB 3.45Å; R658-S662 PolarHBondContact O-N 2.93Å; R658-S662 PolarHBondContact O-OG 2.96Å; L659-S662 WeakPolarHBondContact CA-OG 3.38Å; L659-S662 PolarHBondContact O-N 3.33Å; L659-S662 PolarHBondContact O-OG 3.48Å; Q660-S662 VanDerWaalsContact C-N 3.32Å; Q660-S662 PolarHBondContact O-N 3.43Å
663	M	94.7	Very high	96.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.25	C	S	.	.	S	Bend	trans	-140.8	68.7	-178.9	-60.1	-176.6	-152.4	0	0	109.3	L659 Q660 Q665 W668 P697 F700 K701	L659-M663 HydrophobicContact CD1-CE 4.1Å; L659-M663 HydrophobicContact CD1-CG 4.5Å; L659-M663 HydrophobicContact CD1-SD 4.09Å; L659-M663 PolarHBondContact O-N 3.23Å; Q660-M663 CarbonylContact O-C 3.51Å; M663-Q665 VanDerWaalsContact C-OE1 3.25Å; M663-Q665 PolarHBondContact O-N 3.25Å; M663-W668 HydrophobicContact CB-CZ2 4.42Å; M663-W668 PolarHBondContact O-NE1 3.04Å; M663-W668 HydrophobicContact SD-CZ2 4.17Å; M663-P697 HydrophobicContact CE-CB 3.89Å; M663-P697 WeakPolarHBondContact CE-O 3.38Å; M663-F700 HydrophobicContact CE-CB 4.49Å; M663-F700 HydrophobicContact SD-CB 3.75Å; M663-K701 HydrophobicContact CE-CD 4.46Å; M663-K701 HydrophobicContact CE-CG 3.85Å; M663-K701 HydrophobicContact CG-CG 3.95Å; M663-K701 HydrophobicContact SD-CG 3.88Å
664	P	95.4	Very high	96.6	Very high	81 Å²	81	48.7 Å²	48.7	53%	0.526	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-9.1	-169.2	29.7	-37.3	0	0	0	114.7	Q660 F666	Q660-P664 WeakPolarHBondContact O-CA 3.45Å; P664-F666 PolarHBondContact O-N 3.38Å
665	Q	92.6	Very high	96.4	Very high	107 Å²	107	46.8 Å²	46.8	50%	0.5	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-13.7	-175	-59.5	86.2	-7.5	0	0	113.9	M663 M704	M663-Q665 VanDerWaalsContact C-OE1 3.25Å; M663-Q665 PolarHBondContact O-N 3.25Å; Q665-M704 HydrophobicContact CB-CB 4.03Å; Q665-M704 HydrophobicContact CB-CG 4.44Å
666	F	96.1	Very high	96.2	Very high	14 Å²	14	44.5 Å²	44.5	6%	0.061	22%	0.224	C	C	.	.	S	Bend	trans	-134.2	138.9	-179.6	-173.5	-104.6	0	0	0	109.4	L541 L542 L545 I558 Q660 P664 W668 F671 M704	L541-F666 HydrophobicContact CD2-CE2 4.37Å; L541-F666 HydrophobicContact CG-CE2 4.39Å; L542-F666 HydrophobicContact CB-CE2 4.12Å; L542-F666 HydrophobicContact CB-CZ 4.24Å; L542-F666 HydrophobicContact CG-CZ 4.28Å; L545-F666 HydrophobicContact CD1-CZ 4.41Å; I558-F666 HydrophobicContact CD1-CD1 4.29Å; I558-F666 HydrophobicContact CD1-CE1 3.78Å; I558-F666 HydrophobicContact CD1-CZ 3.94Å; Q660-F666 PolarHBondContact NE2-O 3.44Å; Q660-F666 PolarHBondContact OE1-O 3.39Å; P664-F666 PolarHBondContact O-N 3.38Å; F666-W668 HydrophobicContact CB-CZ2 4.5Å; F666-W668 AromaticContact CD1-CD2 3.8Å; F666-W668 HydrophobicContact CD1-CD2 3.8Å; F666-W668 AromaticContact CD1-CE2 3.98Å; F666-W668 AromaticContact CD1-CE3 3.93Å; F666-W668 HydrophobicContact CD1-CE3 3.93Å; F666-W668 HydrophobicContact CD1-CG 4.22Å; F666-W668 HydrophobicContact CD1-CH2 4.43Å; F666-W668 HydrophobicContact CD1-CZ2 4.31Å; F666-W668 HydrophobicContact CD1-CZ3 4.25Å; F666-W668 HydrophobicContact CE1-CE3 4.25Å; F666-W668 HydrophobicContact CE1-CZ3 4.49Å; F666-W668 PolarHBondContact O-N 2.84Å; F666-F671 HydrophobicContact CE1-CB 3.5Å; F666-F671 VanDerWaalsContact CE1-CB 3.5Å; F666-F671 HydrophobicContact CE1-CD1 4.02Å; F666-F671 HydrophobicContact CE1-CD2 4.31Å; F666-F671 AromaticContact CE1-CG 3.68Å; F666-F671 HydrophobicContact CE1-CG 3.68Å; F666-F671 HydrophobicContact CZ-CB 3.84Å; F666-F671 HydrophobicContact CZ-CD1 4.5Å; F666-F671 HydrophobicContact CZ-CD2 4.02Å; F666-F671 AromaticContact CZ-CG 3.86Å; F666-F671 HydrophobicContact CZ-CG 3.86Å; F666-M704 HydrophobicContact CB-CE 3.6Å; F666-M704 HydrophobicContact CB-CG 4.45Å; F666-M704 HydrophobicContact CB-SD 3.66Å; F666-M704 HydrophobicContact CD1-CE 4.06Å; F666-M704 HydrophobicContact CD2-CE 4.05Å; F666-M704 HydrophobicContact CD2-SD 4.32Å; F666-M704 HydrophobicContact CG-CE 3.65Å; F666-M704 HydrophobicContact CG-SD 4.16Å
667	D	97.2	Very high	95.8	Very high	82 Å²	82	47.5 Å²	47.5	44%	0.439	24%	0.238	S	C	.	.			trans	-79.9	87	177	176.8	16.2	0	0	0	110	L542 L669 G670 F671	L542-D667 HydrophobicContact CD1-CB 3.67Å; L542-D667 WeakPolarHBondContact CD1-O 3.27Å; D667-L669 VanDerWaalsContact C-N 3.35Å; D667-L669 PolarHBondContact OD1-N 3.35Å; D667-G670 PolarHBondContact OD1-N 3.45Å; D667-G670 WeakPolarHBondContact OD2-CA 3.22Å; D667-F671 WeakPolarHBondContact O-CB 3.48Å; D667-F671 PolarHBondContact O-N 3.11Å
668	W	97.6	Very high	95	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.5	-37.3	-178.4	-64.2	95.8	0	0	0	112.1	I558 L576 L659 M663 F666 F671 V672 F700 M704	I558-W668 HydrophobicContact CD1-CH2 4.14Å; I558-W668 HydrophobicContact CD1-CZ3 3.99Å; I558-W668 HydrophobicContact CG2-CZ3 4.36Å; L576-W668 HydrophobicContact CD1-CE3 3.91Å; L576-W668 HydrophobicContact CD1-CZ3 4Å; L659-W668 HydrophobicContact CD2-CB 4.09Å; L659-W668 HydrophobicContact CD2-CD2 3.71Å; L659-W668 HydrophobicContact CD2-CE3 3.86Å; L659-W668 HydrophobicContact CD2-CG 3.82Å; L659-W668 HydrophobicContact CG-CB 4.31Å; L659-W668 HydrophobicContact CG-CD2 3.94Å; L659-W668 HydrophobicContact CG-CG 3.8Å; M663-W668 HydrophobicContact CB-CZ2 4.42Å; M663-W668 PolarHBondContact O-NE1 3.04Å; M663-W668 HydrophobicContact SD-CZ2 4.17Å; F666-W668 HydrophobicContact CB-CZ2 4.5Å; F666-W668 AromaticContact CD1-CD2 3.8Å; F666-W668 HydrophobicContact CD1-CD2 3.8Å; F666-W668 AromaticContact CD1-CE2 3.98Å; F666-W668 AromaticContact CD1-CE3 3.93Å; F666-W668 HydrophobicContact CD1-CE3 3.93Å; F666-W668 HydrophobicContact CD1-CG 4.22Å; F666-W668 HydrophobicContact CD1-CH2 4.43Å; F666-W668 HydrophobicContact CD1-CZ2 4.31Å; F666-W668 HydrophobicContact CD1-CZ3 4.25Å; F666-W668 HydrophobicContact CE1-CE3 4.25Å; F666-W668 HydrophobicContact CE1-CZ3 4.49Å; F666-W668 PolarHBondContact O-N 2.84Å; W668-F671 PolarHBondContact O-N 3.15Å; W668-V672 WeakPolarHBondContact O-CB 3.35Å; W668-V672 VanDerWaalsContact O-CG2 3.31Å; W668-V672 WeakPolarHBondContact O-CG2 3.5Å; W668-V672 PolarHBondContact O-N 3.14Å; W668-F700 HydrophobicContact CH2-CB 4.02Å; W668-F700 AromaticContact CH2-CD1 3.84Å; W668-F700 HydrophobicContact CH2-CD1 3.84Å; W668-F700 HydrophobicContact CH2-CD2 4.29Å; W668-F700 HydrophobicContact CH2-CE1 4.37Å; W668-F700 AromaticContact CH2-CG 3.8Å; W668-F700 HydrophobicContact CH2-CG 3.8Å; W668-F700 HydrophobicContact CZ2-CB 4.24Å; W668-F700 HydrophobicContact CZ2-CG 4.5Å; W668-M704 HydrophobicContact CH2-CE 3.87Å; W668-M704 HydrophobicContact CZ2-CE 3.78Å
669	L	97.3	Very high	94	Very high	45 Å²	45	50 Å²	50	24%	0.236	25%	0.252	C	S	.	.	H	α-helix	trans	-66.2	-48.7	178.1	177.4	60.3	0	0	0	110.2	L656 D667 F671 V672 K673 I686	L656-L669 HydrophobicContact CB-CD1 4.49Å; L656-L669 HydrophobicContact CD1-CD1 3.72Å; D667-L669 VanDerWaalsContact C-N 3.35Å; D667-L669 PolarHBondContact OD1-N 3.35Å; L669-F671 VanDerWaalsContact C-N 3.33Å; L669-F671 PolarHBondContact O-N 3.34Å; L669-V672 PolarHBondContact O-N 3.43Å; L669-K673 HydrophobicContact CD1-CD 4.27Å; L669-K673 HydrophobicContact CD1-CG 4.25Å; L669-K673 HydrophobicContact CG-CD 4.33Å; L669-K673 WeakPolarHBondContact O-CB 3.48Å; L669-K673 VanDerWaalsContact O-CG 3.31Å; L669-K673 WeakPolarHBondContact O-CG 3.47Å; L669-K673 PolarHBondContact O-N 2.94Å; L669-I686 HydrophobicContact CD1-CG2 4.19Å
670	G	97.1	Very high	92.8	Very high	18 Å²	18	55.9 Å²	55.9	19%	0.186	28%	0.283	C	S	.	.	H	α-helix	trans	-60.1	-41.8	176	0	0	0	0	0	112.4	D667 A674	D667-G670 PolarHBondContact OD1-N 3.45Å; D667-G670 WeakPolarHBondContact OD2-CA 3.22Å; G670-A674 VanDerWaalsContact O-CB 3.26Å; G670-A674 WeakPolarHBondContact O-CB 3.43Å; G670-A674 PolarHBondContact O-N 3.36Å
671	F	97.3	Very high	91.8	Very high	3 Å²	3	56.1 Å²	56.1	1%	0.013	29%	0.286	C	S	.	.	H	α-helix	trans	-64.2	-49.6	178.5	175.2	-112.7	0	0	0	112.1	L542 L545 A546 I558 L560 F666 D667 W668 L669 K673 A674 V675	L542-F671 HydrophobicContact CD1-CB 4.07Å; L542-F671 HydrophobicContact CG-CB 3.92Å; L542-F671 HydrophobicContact CG-CD2 4.42Å; L545-F671 HydrophobicContact CB-CD2 4.42Å; L545-F671 HydrophobicContact CB-CE2 3.78Å; A546-F671 HydrophobicContact CB-CD2 4.29Å; A546-F671 HydrophobicContact CB-CE2 4.34Å; I558-F671 HydrophobicContact CB-CE1 4.47Å; I558-F671 HydrophobicContact CB-CZ 4.5Å; I558-F671 HydrophobicContact CG2-CE1 3.86Å; I558-F671 HydrophobicContact CG2-CZ 4.32Å; L560-F671 HydrophobicContact CB-CE1 4.23Å; L560-F671 HydrophobicContact CD1-CD1 4.34Å; L560-F671 HydrophobicContact CD1-CE1 3.87Å; F666-F671 HydrophobicContact CE1-CB 3.5Å; F666-F671 VanDerWaalsContact CE1-CB 3.5Å; F666-F671 HydrophobicContact CE1-CD1 4.02Å; F666-F671 HydrophobicContact CE1-CD2 4.31Å; F666-F671 AromaticContact CE1-CG 3.68Å; F666-F671 HydrophobicContact CE1-CG 3.68Å; F666-F671 HydrophobicContact CZ-CB 3.84Å; F666-F671 HydrophobicContact CZ-CD1 4.5Å; F666-F671 HydrophobicContact CZ-CD2 4.02Å; F666-F671 AromaticContact CZ-CG 3.86Å; F666-F671 HydrophobicContact CZ-CG 3.86Å; D667-F671 WeakPolarHBondContact O-CB 3.48Å; D667-F671 PolarHBondContact O-N 3.11Å; W668-F671 PolarHBondContact O-N 3.15Å; L669-F671 VanDerWaalsContact C-N 3.33Å; L669-F671 PolarHBondContact O-N 3.34Å; F671-K673 VanDerWaalsContact C-N 3.34Å; F671-K673 PolarHBondContact O-N 3.26Å; F671-A674 PolarHBondContact O-N 2.91Å; F671-V675 HydrophobicContact CD2-CG2 4.29Å; F671-V675 HydrophobicContact CE2-CG2 3.83Å; F671-V675 HydrophobicContact CZ-CG2 3.99Å; F671-V675 WeakPolarHBondContact O-CG2 3.43Å; F671-V675 PolarHBondContact O-N 3.27Å; F671-V675 VanDerWaalsContact O-N 3.09Å
672	V	96.9	Very high	90.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-42.8	179.7	174	0	0	0	0	110.4	L560 I574 L656 W668 L669 A674 V675 V676 I686	L560-V672 HydrophobicContact CD1-CB 4.44Å; L560-V672 HydrophobicContact CD1-CG1 4.49Å; L560-V672 HydrophobicContact CD1-CG2 3.9Å; I574-V672 HydrophobicContact CD1-CG1 3.73Å; L656-V672 HydrophobicContact CD1-CB 4.13Å; L656-V672 HydrophobicContact CD1-CG1 4.13Å; L656-V672 HydrophobicContact CD1-CG2 4.49Å; L656-V672 HydrophobicContact CD2-CB 4.46Å; L656-V672 HydrophobicContact CD2-CG2 3.94Å; W668-V672 WeakPolarHBondContact O-CB 3.35Å; W668-V672 VanDerWaalsContact O-CG2 3.31Å; W668-V672 WeakPolarHBondContact O-CG2 3.5Å; W668-V672 PolarHBondContact O-N 3.14Å; L669-V672 PolarHBondContact O-N 3.43Å; V672-A674 PolarHBondContact O-N 3.44Å; V672-V675 PolarHBondContact O-N 3.28Å; V672-V676 HydrophobicContact CG1-CB 4.48Å; V672-V676 HydrophobicContact CG1-CG2 4.02Å; V672-V676 WeakPolarHBondContact O-CB 3.41Å; V672-V676 WeakPolarHBondContact O-CG2 3.42Å; V672-V676 PolarHBondContact O-N 3.4Å; V672-I686 HydrophobicContact CG1-CG1 4.43Å; V672-I686 HydrophobicContact CG1-CG2 4.02Å
673	K	95.8	Very high	90.2	Very high	72 Å²	72	54.9 Å²	54.9	31%	0.313	31%	0.305	S	S	.	.	H	α-helix	trans	-56.6	-49	173	-79.2	-174	164.1	-159.7	0	112.3	L669 F671 V675 V676 E677 I686	L669-K673 HydrophobicContact CD1-CD 4.27Å; L669-K673 HydrophobicContact CD1-CG 4.25Å; L669-K673 HydrophobicContact CG-CD 4.33Å; L669-K673 WeakPolarHBondContact O-CB 3.48Å; L669-K673 VanDerWaalsContact O-CG 3.31Å; L669-K673 WeakPolarHBondContact O-CG 3.47Å; L669-K673 PolarHBondContact O-N 2.94Å; F671-K673 VanDerWaalsContact C-N 3.34Å; F671-K673 PolarHBondContact O-N 3.26Å; K673-V675 PolarHBondContact O-N 2.92Å; K673-V676 PolarHBondContact O-N 3.46Å; K673-E677 HydrophobicContact CB-CG 4.36Å; K673-E677 HydrophobicContact CG-CG 4.35Å; K673-E677 VanDerWaalsContact O-CB 3.31Å; K673-E677 WeakPolarHBondContact O-CB 3.41Å; K673-E677 PolarHBondContact O-N 2.78Å; K673-I686 WeakPolarHBondContact CE-O 3.36Å; K673-I686 HydrophobicContact CG-CB 4.01Å; K673-I686 HydrophobicContact CG-CG2 4.32Å; K673-I686 PolarHBondContact NZ-O 2.98Å
674	A	94.9	Very high	89.8	Confident	38 Å²	38	55.3 Å²	55.3	31%	0.314	31%	0.307	S	S	.	.	H	α-helix	trans	-62.3	-28.8	-178.3	0	0	0	0	0	113.2	L542 A546 N550 G670 F671 V672	L542-A674 HydrophobicContact CD2-CB 4.31Å; A546-A674 HydrophobicContact CB-CB 3.56Å; N550-A674 PolarHBondContact ND2-O 3.04Å; G670-A674 VanDerWaalsContact O-CB 3.26Å; G670-A674 WeakPolarHBondContact O-CB 3.43Å; G670-A674 PolarHBondContact O-N 3.36Å; F671-A674 PolarHBondContact O-N 2.91Å; V672-A674 PolarHBondContact O-N 3.44Å
675	V	93.8	Very high	89.6	Confident	1 Å²	1	55 Å²	55	1%	0.006	31%	0.307	C	S	.	.	H	α-helix	trans	-86.1	-39.3	177	174.5	0	0	0	0	112.4	A546 R549 N550 L560 F671 V672 K673	A546-V675 HydrophobicContact CB-CG2 3.86Å; R549-V675 HydrophobicContact CB-CG2 4.3Å; R549-V675 HydrophobicContact CG-CG1 3.67Å; R549-V675 HydrophobicContact CG-CG2 4.29Å; N550-V675 WeakPolarHBondContact OD1-CA 3.4Å; N550-V675 PolarHBondContact OD1-O 3.19Å; L560-V675 HydrophobicContact CD1-CB 4.1Å; L560-V675 HydrophobicContact CD1-CG1 4.09Å; L560-V675 HydrophobicContact CD1-CG2 4.4Å; L560-V675 HydrophobicContact CD2-CG1 3.82Å; L560-V675 HydrophobicContact CG-CG1 4.43Å; F671-V675 HydrophobicContact CD2-CG2 4.29Å; F671-V675 HydrophobicContact CE2-CG2 3.83Å; F671-V675 HydrophobicContact CZ-CG2 3.99Å; F671-V675 WeakPolarHBondContact O-CG2 3.43Å; F671-V675 PolarHBondContact O-N 3.27Å; F671-V675 VanDerWaalsContact O-N 3.09Å; V672-V675 PolarHBondContact O-N 3.28Å; K673-V675 PolarHBondContact O-N 2.92Å
676	V	93.1	Very high	89.7	Confident	2 Å²	2	50 Å²	50	1%	0.012	28%	0.284	C	S	.	.	H	α-helix	trans	-98.4	-38.3	-165	172.8	0	0	0	0	112.5	L560 I574 V672 K673 S678 L684 I686 V871 L874	L560-V676 HydrophobicContact CD1-CG2 4.48Å; L560-V676 HydrophobicContact CD2-CG2 4.13Å; I574-V676 HydrophobicContact CD1-CG2 4.17Å; V672-V676 HydrophobicContact CG1-CB 4.48Å; V672-V676 HydrophobicContact CG1-CG2 4.02Å; V672-V676 WeakPolarHBondContact O-CB 3.41Å; V672-V676 WeakPolarHBondContact O-CG2 3.42Å; V672-V676 PolarHBondContact O-N 3.4Å; K673-V676 PolarHBondContact O-N 3.46Å; V676-S678 PolarHBondContact O-N 3.34Å; V676-L684 HydrophobicContact CB-CD2 4.49Å; V676-L684 HydrophobicContact CG1-CD2 3.2Å; V676-L684 WeakPolarHBondContact O-CD2 3.21Å; V676-I686 HydrophobicContact CB-CG1 4.14Å; V676-I686 HydrophobicContact CG1-CD1 3.72Å; V676-I686 HydrophobicContact CG1-CG1 3.74Å; V676-V871 HydrophobicContact CB-CG1 4.36Å; V676-V871 HydrophobicContact CG1-CG1 4Å; V676-L874 HydrophobicContact CG1-CD2 3.78Å
677	E	91	Very high	89.7	Confident	64 Å²	64	51.8 Å²	51.8	30%	0.299	30%	0.298	S	S	.	.			trans	-76.7	121.1	177.3	-59	-175.1	156.4	0	0	109.1	K673 S685 I686	K673-E677 HydrophobicContact CB-CG 4.36Å; K673-E677 HydrophobicContact CG-CG 4.35Å; K673-E677 VanDerWaalsContact O-CB 3.31Å; K673-E677 WeakPolarHBondContact O-CB 3.41Å; K673-E677 PolarHBondContact O-N 2.78Å; E677-S685 WeakPolarHBondContact OE1-CA 3.38Å; E677-S685 PolarHBondContact OE1-OG 3.47Å; E677-I686 HydrophobicContact CG-CB 4.45Å; E677-I686 HydrophobicContact CG-CG1 4.17Å; E677-I686 PolarHBondContact OE1-N 2.94Å
678	S	81.2	Confident	89.7	Confident	31 Å²	31	50.9 Å²	50.9	22%	0.217	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-121	147.6	176.7	174.7	0	0	0	0	110.5	V676 D680 N681	V676-S678 PolarHBondContact O-N 3.34Å; S678-D680 PolarHBondContact O-N 2.81Å; S678-D680 PolarHBondContact OG-N 3.19Å; S678-D680 VanDerWaalsContact OG-N 3.14Å; S678-N681 CarbonylContact O-C 3.4Å; S678-N681 VanDerWaalsContact O-C 3.32Å; S678-N681 PolarHBondContact O-N 2.96Å
679	K	75.3	Confident	89.7	Confident	198 Å²	198	54.6 Å²	54.6	86%	0.861	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-29.1	171.5	-68.1	-174.2	179.2	-178.4	0	112.2	N681	K679-N681 VanDerWaalsContact C-N 3.28Å; K679-N681 PolarHBondContact O-N 2.95Å
680	D	72	Confident	89.7	Confident	125 Å²	125	53 Å²	53	67%	0.668	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-14.6	-177.8	-52.5	-41.3	0	0	0	111.9	S678	S678-D680 PolarHBondContact O-N 2.81Å; S678-D680 PolarHBondContact OG-N 3.19Å; S678-D680 VanDerWaalsContact OG-N 3.14Å
681	N	77.1	Confident	89.8	Confident	53 Å²	53	54.6 Å²	54.6	28%	0.283	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-135	72.4	174.2	-169.5	-2.9	0	0	0	111.5	S678 K679 S683 L684	S678-N681 CarbonylContact O-C 3.4Å; S678-N681 VanDerWaalsContact O-C 3.32Å; S678-N681 PolarHBondContact O-N 2.96Å; K679-N681 VanDerWaalsContact C-N 3.28Å; K679-N681 PolarHBondContact O-N 2.95Å; N681-S683 PolarHBondContact O-N 3.05Å; N681-S683 VanDerWaalsContact O-N 3.12Å; N681-S683 PolarHBondContact OD1-OG 3.25Å; N681-L684 HydrophobicContact CB-CB 4.45Å; N681-L684 WeakPolarHBondContact O-CB 3.3Å; N681-L684 PolarHBondContact O-N 3.32Å; N681-L684 VanDerWaalsContact O-N 3.08Å
682	P	76.8	Confident	89.8	Confident	113 Å²	113	54.4 Å²	54.4	73%	0.734	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-16.2	-175.5	28	-35.3	0	0	0	113.4	L684	P682-L684 PolarHBondContact O-N 3.47Å
683	S	81.1	Confident	89.9	Confident	105 Å²	105	54.4 Å²	54.4	73%	0.734	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-21	175.6	76.4	0	0	0	0	112.9	N681 S685	N681-S683 PolarHBondContact O-N 3.05Å; N681-S683 VanDerWaalsContact O-N 3.12Å; N681-S683 PolarHBondContact OD1-OG 3.25Å; S683-S685 PolarHBondContact O-N 3.45Å
684	L	86.9	Confident	90	Very high	10 Å²	10	51 Å²	51	5%	0.052	31%	0.307	C	S	.	.			trans	-93.6	94.5	-175.5	-159.9	153.6	0	0	0	109	V676 N681 P682 I686 L874	V676-L684 HydrophobicContact CB-CD2 4.49Å; V676-L684 HydrophobicContact CG1-CD2 3.2Å; V676-L684 WeakPolarHBondContact O-CD2 3.21Å; N681-L684 HydrophobicContact CB-CB 4.45Å; N681-L684 WeakPolarHBondContact O-CB 3.3Å; N681-L684 PolarHBondContact O-N 3.32Å; N681-L684 VanDerWaalsContact O-N 3.08Å; P682-L684 PolarHBondContact O-N 3.47Å; L684-I686 HydrophobicContact CD2-CD1 4.46Å; L684-L874 HydrophobicContact CD1-CB 4.21Å; L684-L874 HydrophobicContact CD2-CD2 4.13Å
685	S	90.4	Very high	90.1	Very high	75 Å²	75	50.8 Å²	50.8	52%	0.524	30%	0.298	S	S	.	.			trans	-115.8	143.5	176.7	-175.5	0	0	0	0	111.7	E677 S683	E677-S685 WeakPolarHBondContact OE1-CA 3.38Å; E677-S685 PolarHBondContact OE1-OG 3.47Å; S683-S685 PolarHBondContact O-N 3.45Å
686	I	95.6	Very high	90.2	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	30%	0.298	C	S	.	.			trans	-109.6	124.3	-178.3	-59.2	-57.5	0	0	0	109.4	I574 L656 L669 V672 K673 V676 E677 L684 E690 L874	I574-I686 HydrophobicContact CD1-CD1 4.14Å; L656-I686 HydrophobicContact CD1-CG2 3.49Å; L656-I686 VanDerWaalsContact CD1-CG2 3.49Å; L669-I686 HydrophobicContact CD1-CG2 4.19Å; V672-I686 HydrophobicContact CG1-CG1 4.43Å; V672-I686 HydrophobicContact CG1-CG2 4.02Å; K673-I686 WeakPolarHBondContact CE-O 3.36Å; K673-I686 HydrophobicContact CG-CB 4.01Å; K673-I686 HydrophobicContact CG-CG2 4.32Å; K673-I686 PolarHBondContact NZ-O 2.98Å; V676-I686 HydrophobicContact CB-CG1 4.14Å; V676-I686 HydrophobicContact CG1-CD1 3.72Å; V676-I686 HydrophobicContact CG1-CG1 3.74Å; E677-I686 HydrophobicContact CG-CB 4.45Å; E677-I686 HydrophobicContact CG-CG1 4.17Å; E677-I686 PolarHBondContact OE1-N 2.94Å; L684-I686 HydrophobicContact CD2-CD1 4.46Å; I686-E690 HydrophobicContact CD1-CG 4.19Å; I686-E690 HydrophobicContact CG2-CB 3.91Å; I686-E690 HydrophobicContact CG2-CG 4.04Å; I686-L874 HydrophobicContact CD1-CD2 3.95Å
687	S	95.6	Very high	90.4	Very high	51 Å²	51	51.8 Å²	51.8	36%	0.357	30%	0.304	S	S	.	.			trans	-100.4	170.9	175.6	76.4	0	0	0	0	111.3	S689 E690	S687-S689 PolarHBondContact O-N 2.95Å; S687-S689 PolarHBondContact OG-N 3.11Å; S687-S689 PolarHBondContact OG-OG 2.91Å; S687-E690 VanDerWaalsContact O-CB 3.29Å; S687-E690 WeakPolarHBondContact O-CB 3.3Å; S687-E690 PolarHBondContact O-N 3.32Å
688	S	96.7	Very high	90.6	Very high	64 Å²	64	55.4 Å²	55.4	45%	0.448	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-14	172.1	62.5	0	0	0	0	113.4	S657	S657-S688 WeakPolarHBondContact CB-O 3.38Å; S657-S688 PolarHBondContact N-O 3.18Å; S657-S688 PolarHBondContact OG-O 3Å
689	S	97.5	Very high	91.4	Very high	77 Å²	77	54 Å²	54	54%	0.538	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-2.3	175	59.5	0	0	0	0	113.5	S687	S687-S689 PolarHBondContact O-N 2.95Å; S687-S689 PolarHBondContact OG-N 3.11Å; S687-S689 PolarHBondContact OG-OG 2.91Å
690	E	97.9	Very high	92.5	Very high	11 Å²	11	44.5 Å²	44.5	5%	0.051	27%	0.268	C	S	.	.			trans	-52.8	126.7	-177.9	-176	64.1	-159.7	0	0	112.1	I574 T655 L656 I686 S687 V692 R875	I574-E690 HydrophobicContact CD1-CG 4.21Å; T655-E690 CarbonylContact C-O 3.4Å; T655-E690 VanDerWaalsContact CA-O 3.29Å; T655-E690 WeakPolarHBondContact CA-O 3.19Å; L656-E690 HydrophobicContact CD1-CB 3.71Å; L656-E690 HydrophobicContact CD1-CG 4.25Å; L656-E690 HydrophobicContact CG-CB 4Å; L656-E690 PolarHBondContact N-O 3.4Å; I686-E690 HydrophobicContact CD1-CG 4.19Å; I686-E690 HydrophobicContact CG2-CB 3.91Å; I686-E690 HydrophobicContact CG2-CG 4.04Å; S687-E690 VanDerWaalsContact O-CB 3.29Å; S687-E690 WeakPolarHBondContact O-CB 3.3Å; S687-E690 PolarHBondContact O-N 3.32Å; E690-V692 HydrophobicContact CG-CG1 4.37Å; E690-R875 IonicContact OE1-CZ 3.13Å; E690-R875 IonicContact OE1-NH1 2.8Å; E690-R875 PolarHBondContact OE1-NH1 2.91Å; E690-R875 IonicContact OE1-NH2 3.9Å; E690-R875 PolarHBondContact OE1-NH2 3Å; E690-R875 VanDerWaalsContact OE1-NH2 3.13Å; E690-R875 IonicContact OE2-CZ 3.16Å; E690-R875 IonicContact OE2-NH1 3.16Å; E690-R875 IonicContact OE2-NH2 2.83Å; E690-R875 PolarHBondContact OE2-NH2 2.96Å
691	P	97.8	Very high	93.7	Very high	52 Å²	52	44.1 Å²	44.1	34%	0.338	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	132.8	174.6	31	-34.1	0	0	0	111.3	I573 Y654	I573-P691 HydrophobicContact CD1-CB 4.17Å; Y654-P691 CarbonylContact O-C 3.51Å; Y654-P691 WeakPolarHBondContact O-CA 3.42Å
692	V	98.3	Very high	94.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	150.3	175.8	-56.9	0	0	0	0	110.5	I574 K653 Y654 L656 L659 E690 V694	I574-V692 HydrophobicContact CB-CG1 4.04Å; I574-V692 HydrophobicContact CG2-CG1 4.19Å; I574-V692 WeakPolarHBondContact O-CA 3.43Å; K653-V692 WeakPolarHBondContact CA-O 3.28Å; Y654-V692 PolarHBondContact N-O 3.32Å; Y654-V692 PolarHBondContact O-N 3.08Å; L656-V692 HydrophobicContact CD2-CG1 3.7Å; L656-V692 HydrophobicContact CD2-CG2 4.09Å; L656-V692 HydrophobicContact CG-CG1 4.04Å; L659-V692 HydrophobicContact CD2-CG2 4.29Å; E690-V692 HydrophobicContact CG-CG1 4.37Å; V692-V694 HydrophobicContact CG2-CG2 4.21Å
693	I	98.5	Very high	95.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117.5	169.7	-63.8	171	0	0	0	108.6	I573 I574 K575 L576 M650 Y651 N652 R695	I573-I693 HydrophobicContact CD1-CD1 4.22Å; I573-I693 HydrophobicContact CD1-CG1 3.93Å; I573-I693 HydrophobicContact CG1-CG1 4.46Å; I573-I693 HydrophobicContact CG2-CD1 3.59Å; I573-I693 HydrophobicContact CG2-CG1 4.2Å; I574-I693 PolarHBondContact O-N 3.49Å; K575-I693 CarbonylContact C-O 3.57Å; K575-I693 WeakPolarHBondContact CA-O 3.43Å; K575-I693 HydrophobicContact CG-CB 4.19Å; L576-I693 PolarHBondContact N-O 3.47Å; M650-I693 WeakPolarHBondContact O-CG2 3.2Å; Y651-I693 HydrophobicContact CD2-CD1 3.83Å; Y651-I693 HydrophobicContact CD2-CG1 4.45Å; Y651-I693 HydrophobicContact CE2-CD1 3.39Å; Y651-I693 HydrophobicContact CE2-CG1 4.11Å; N652-I693 WeakPolarHBondContact O-CA 3.28Å; I693-R695 HydrophobicContact CG2-CG 4.27Å
694	V	98.2	Very high	96.4	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	103.7	173.6	-175.4	0	0	0	0	107.8	L576 N652 Y654 L659 V692 P697 F700	L576-V694 HydrophobicContact CD1-CG2 4.41Å; N652-V694 VanDerWaalsContact CB-O 3.26Å; N652-V694 WeakPolarHBondContact CB-O 3.3Å; N652-V694 PolarHBondContact ND2-O 2.93Å; N652-V694 PolarHBondContact O-N 2.97Å; Y654-V694 HydrophobicContact CD2-CB 3.86Å; Y654-V694 HydrophobicContact CD2-CG2 3.52Å; Y654-V694 HydrophobicContact CE2-CB 3.94Å; Y654-V694 HydrophobicContact CE2-CG2 4.03Å; Y654-V694 HydrophobicContact CG-CG2 4.15Å; L659-V694 HydrophobicContact CD1-CG2 4.04Å; L659-V694 HydrophobicContact CD2-CG2 3.96Å; V692-V694 HydrophobicContact CG2-CG2 4.21Å; V694-P697 HydrophobicContact CB-CG 4.23Å; V694-P697 HydrophobicContact CG1-CB 4.14Å; V694-P697 HydrophobicContact CG1-CG 3.82Å; V694-P697 WeakPolarHBondContact O-CD 3.44Å; V694-F700 HydrophobicContact CG1-CD2 3.54Å; V694-F700 HydrophobicContact CG1-CE2 3.69Å
695	R	97.9	Very high	96.9	Very high	34 Å²	34	41.1 Å²	41.1	13%	0.128	22%	0.222	C	C	.	.	S	Bend	trans	-67.9	-40.1	-175.6	-65.2	-172.4	63.1	87.5	-1.9	112.1	Y561 D566 L576 D577 M650 I693 P697	Y561-R695 WeakPolarHBondContact OH-CD 3.49Å; D566-R695 IonicContact OD2-NH1 2.72Å; L576-R695 PolarHBondContact O-N 2.94Å; D577-R695 HydrophobicContact CB-CB 4.12Å; D577-R695 HydrophobicContact CB-CG 4.42Å; D577-R695 WeakPolarHBondContact OD2-CD 3.45Å; D577-R695 IonicContact OD2-NE 3.75Å; D577-R695 PolarHBondContact OD2-NE 3.1Å; M650-R695 WeakPolarHBondContact CA-O 3.42Å; M650-R695 HydrophobicContact CB-CB 4.27Å; M650-R695 HydrophobicContact CB-CG 4.45Å; M650-R695 WeakPolarHBondContact CE-O 3.05Å; M650-R695 WeakPolarHBondContact O-CA 3.46Å; M650-R695 HydrophobicContact SD-CB 4.13Å; I693-R695 HydrophobicContact CG2-CG 4.27Å; R695-P697 WeakPolarHBondContact O-CD 3.42Å
696	T	96.3	Very high	97.2	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.012	20%	0.203	C	C	.	.			trans	-127.8	72.8	-176.8	54.2	0	0	0	0	112.9	Q578 I640 M650 K698 Y699 F700	Q578-T696 PolarHBondContact N-OG1 3.47Å; I640-T696 HydrophobicContact CB-CG2 4.32Å; I640-T696 HydrophobicContact CG1-CG2 3.87Å; M650-T696 HydrophobicContact CE-CG2 4.13Å; M650-T696 HydrophobicContact SD-CG2 3.76Å; T696-K698 VanDerWaalsContact C-N 3.3Å; T696-K698 PolarHBondContact O-N 3.07Å; T696-Y699 PolarHBondContact O-N 2.89Å; T696-F700 VanDerWaalsContact O-CD2 3.26Å; T696-F700 WeakPolarHBondContact O-CD2 3.48Å; T696-F700 PolarHBondContact O-N 3.23Å
697	P	96.4	Very high	97.3	Very high	21 Å²	21	39.5 Å²	39.5	14%	0.136	21%	0.207	C	C	.	.	H	α-helix	trans	-60.6	-36.6	-177.2	-22.2	31.9	0	0	0	113.5	N652 Y654 M663 V694 R695 F700 K701	N652-P697 HydrophobicContact CB-CG 3.85Å; N652-P697 WeakPolarHBondContact ND2-CD 3.49Å; Y654-P697 HydrophobicContact CE2-CG 4.38Å; M663-P697 HydrophobicContact CE-CB 3.89Å; M663-P697 WeakPolarHBondContact CE-O 3.38Å; V694-P697 HydrophobicContact CB-CG 4.23Å; V694-P697 HydrophobicContact CG1-CB 4.14Å; V694-P697 HydrophobicContact CG1-CG 3.82Å; V694-P697 WeakPolarHBondContact O-CD 3.44Å; R695-P697 WeakPolarHBondContact O-CD 3.42Å; P697-F700 PolarHBondContact O-N 2.87Å; P697-K701 PolarHBondContact O-N 3.41Å
698	K	96.1	Very high	97.3	Very high	140 Å²	140	42.2 Å²	42.2	61%	0.609	22%	0.218	S	C	*	.	H	α-helix	trans	-62.9	-49.7	177.6	176.7	169.4	178.1	162.3	0	111.8	I640 T696 F700 K701 D702	I640-K698 HydrophobicContact CD1-CB 4.48Å; T696-K698 VanDerWaalsContact C-N 3.3Å; T696-K698 PolarHBondContact O-N 3.07Å; K698-F700 VanDerWaalsContact C-N 3.27Å; K698-F700 PolarHBondContact O-N 3.04Å; K698-K701 PolarHBondContact O-N 2.99Å; K698-K701 VanDerWaalsContact O-N 3.15Å; K698-D702 WeakPolarHBondContact CG-OD2 3.48Å; K698-D702 PolarHBondContact O-N 3.21Å
699	Y	97.8	Very high	97.3	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	23%	0.227	C	C	.	.	H	α-helix	trans	-53.2	-45.7	175.9	165.5	-100.3	0	0	0	111.5	L557 Q578 I635 I638 L639 T696 K701 D702 L703	L557-Y699 VanDerWaalsContact O-CE1 3.29Å; L557-Y699 WeakPolarHBondContact O-CE1 3.43Å; L557-Y699 PolarHBondContact O-OH 3.15Å; Q578-Y699 HydrophobicContact CB-CD1 3.56Å; Q578-Y699 HydrophobicContact CB-CD2 4.18Å; Q578-Y699 HydrophobicContact CB-CE1 3.52Å; Q578-Y699 HydrophobicContact CB-CE2 4.14Å; Q578-Y699 HydrophobicContact CB-CG 3.9Å; I635-Y699 HydrophobicContact CG2-CE2 4.16Å; I638-Y699 HydrophobicContact CD1-CD2 4.06Å; I638-Y699 HydrophobicContact CD1-CE2 3.99Å; I638-Y699 HydrophobicContact CG1-CD2 4.01Å; I638-Y699 HydrophobicContact CG1-CE2 4.07Å; L639-Y699 HydrophobicContact CD2-CD2 4Å; L639-Y699 HydrophobicContact CD2-CE2 3.59Å; L639-Y699 HydrophobicContact CG-CE2 4.41Å; T696-Y699 PolarHBondContact O-N 2.89Å; Y699-K701 PolarHBondContact O-N 2.78Å; Y699-D702 PolarHBondContact O-N 3.45Å; Y699-L703 HydrophobicContact CE1-CD2 3.82Å; Y699-L703 WeakPolarHBondContact O-CB 3.24Å; Y699-L703 PolarHBondContact O-N 2.79Å
700	F	98	Very high	97.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.4	-39.1	-180	-67.6	-51.1	0	0	0	113.3	I558 L576 D577 M663 W668 V694 T696 P697 K698 L703 M704	I558-F700 HydrophobicContact CB-CE1 4.23Å; I558-F700 HydrophobicContact CG1-CD1 4.39Å; I558-F700 HydrophobicContact CG1-CE1 3.96Å; I558-F700 HydrophobicContact CG2-CE1 3.91Å; I558-F700 HydrophobicContact CG2-CZ 4.15Å; L576-F700 HydrophobicContact CB-CE2 3.93Å; L576-F700 HydrophobicContact CB-CZ 4.04Å; D577-F700 WeakPolarHBondContact O-CZ 3.29Å; M663-F700 HydrophobicContact CE-CB 4.49Å; M663-F700 HydrophobicContact SD-CB 3.75Å; W668-F700 HydrophobicContact CH2-CB 4.02Å; W668-F700 AromaticContact CH2-CD1 3.84Å; W668-F700 HydrophobicContact CH2-CD1 3.84Å; W668-F700 HydrophobicContact CH2-CD2 4.29Å; W668-F700 HydrophobicContact CH2-CE1 4.37Å; W668-F700 AromaticContact CH2-CG 3.8Å; W668-F700 HydrophobicContact CH2-CG 3.8Å; W668-F700 HydrophobicContact CZ2-CB 4.24Å; W668-F700 HydrophobicContact CZ2-CG 4.5Å; V694-F700 HydrophobicContact CG1-CD2 3.54Å; V694-F700 HydrophobicContact CG1-CE2 3.69Å; T696-F700 VanDerWaalsContact O-CD2 3.26Å; T696-F700 WeakPolarHBondContact O-CD2 3.48Å; T696-F700 PolarHBondContact O-N 3.23Å; P697-F700 PolarHBondContact O-N 2.87Å; K698-F700 VanDerWaalsContact C-N 3.27Å; K698-F700 PolarHBondContact O-N 3.04Å; F700-L703 HydrophobicContact CD1-CD2 4.26Å; F700-L703 PolarHBondContact O-N 3.2Å; F700-M704 VanDerWaalsContact O-CG 3.27Å; F700-M704 WeakPolarHBondContact O-CG 3.39Å; F700-M704 PolarHBondContact O-N 3.25Å
701	K	96.2	Very high	97.3	Very high	116 Å²	116	45.1 Å²	45.1	50%	0.504	23%	0.231	S	C	.	.	H	α-helix	trans	-60.4	-48.2	173.9	-71.6	179.2	177.9	-177.1	0	111.7	M663 P697 K698 Y699 M704 K705	M663-K701 HydrophobicContact CE-CD 4.46Å; M663-K701 HydrophobicContact CE-CG 3.85Å; M663-K701 HydrophobicContact CG-CG 3.95Å; M663-K701 HydrophobicContact SD-CG 3.88Å; P697-K701 PolarHBondContact O-N 3.41Å; K698-K701 PolarHBondContact O-N 2.99Å; K698-K701 VanDerWaalsContact O-N 3.15Å; Y699-K701 PolarHBondContact O-N 2.78Å; K701-M704 PolarHBondContact O-N 3.34Å; K701-K705 PolarHBondContact O-N 2.8Å
702	D	97.8	Very high	97.3	Very high	57 Å²	57	44.6 Å²	44.6	31%	0.305	23%	0.228	S	C	.	.	H	α-helix	trans	-68.5	-37.7	-178.2	-65.8	-25.9	0	0	0	111.2	I638 K698 Y699 K705 L706	I638-D702 HydrophobicContact CB-CB 4.08Å; I638-D702 HydrophobicContact CD1-CB 4.19Å; I638-D702 HydrophobicContact CG2-CB 4Å; K698-D702 WeakPolarHBondContact CG-OD2 3.48Å; K698-D702 PolarHBondContact O-N 3.21Å; Y699-D702 PolarHBondContact O-N 3.45Å; D702-K705 PolarHBondContact O-N 3.09Å; D702-L706 WeakPolarHBondContact O-CB 3.46Å; D702-L706 PolarHBondContact O-N 3.2Å
703	L	98.1	Very high	97.3	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.3	-47.1	174.9	175.3	68.5	0	0	0	111.5	L557 I558 I635 I638 Y699 F700 K705 L706 I707	L557-L703 HydrophobicContact CB-CD1 4.46Å; L557-L703 HydrophobicContact CB-CD2 4.02Å; L557-L703 HydrophobicContact CD2-CD1 4.06Å; I558-L703 HydrophobicContact CG1-CD2 4.3Å; I635-L703 HydrophobicContact CG1-CD1 4.48Å; I638-L703 HydrophobicContact CD1-CB 3.9Å; I638-L703 HydrophobicContact CD1-CD1 4.38Å; Y699-L703 HydrophobicContact CE1-CD2 3.82Å; Y699-L703 WeakPolarHBondContact O-CB 3.24Å; Y699-L703 PolarHBondContact O-N 2.79Å; F700-L703 HydrophobicContact CD1-CD2 4.26Å; F700-L703 PolarHBondContact O-N 3.2Å; L703-K705 VanDerWaalsContact C-N 3.32Å; L703-K705 PolarHBondContact O-N 2.92Å; L703-L706 WeakPolarHBondContact O-CB 3.49Å; L703-L706 PolarHBondContact O-N 3.34Å; L703-L706 VanDerWaalsContact O-N 3.17Å; L703-I707 HydrophobicContact CD1-CD1 3.9Å; L703-I707 HydrophobicContact CD1-CG1 4.16Å; L703-I707 HydrophobicContact CD2-CD1 4.35Å; L703-I707 HydrophobicContact CG-CD1 3.77Å; L703-I707 HydrophobicContact CG-CG1 4.4Å; L703-I707 VanDerWaalsContact O-CG1 3.32Å; L703-I707 WeakPolarHBondContact O-CG1 3.38Å; L703-I707 PolarHBondContact O-N 2.97Å
704	M	96.4	Very high	97.3	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.015	24%	0.241	C	C	.	.	H	α-helix	trans	-65.4	-37.4	180	-67.1	-51.8	161.4	0	0	112	I558 Q665 F666 W668 F700 K701 I707 N708	I558-M704 HydrophobicContact CD1-CE 3.91Å; Q665-M704 HydrophobicContact CB-CB 4.03Å; Q665-M704 HydrophobicContact CB-CG 4.44Å; F666-M704 HydrophobicContact CB-CE 3.6Å; F666-M704 HydrophobicContact CB-CG 4.45Å; F666-M704 HydrophobicContact CB-SD 3.66Å; F666-M704 HydrophobicContact CD1-CE 4.06Å; F666-M704 HydrophobicContact CD2-CE 4.05Å; F666-M704 HydrophobicContact CD2-SD 4.32Å; F666-M704 HydrophobicContact CG-CE 3.65Å; F666-M704 HydrophobicContact CG-SD 4.16Å; W668-M704 HydrophobicContact CH2-CE 3.87Å; W668-M704 HydrophobicContact CZ2-CE 3.78Å; F700-M704 VanDerWaalsContact O-CG 3.27Å; F700-M704 WeakPolarHBondContact O-CG 3.39Å; F700-M704 PolarHBondContact O-N 3.25Å; K701-M704 PolarHBondContact O-N 3.34Å; M704-I707 HydrophobicContact SD-CD1 4.21Å; M704-N708 WeakPolarHBondContact O-CB 3.27Å; M704-N708 VanDerWaalsContact O-CG 3.31Å; M704-N708 PolarHBondContact O-N 3.47Å
705	K	96.6	Very high	97.3	Very high	159 Å²	159	47.7 Å²	47.7	69%	0.691	24%	0.242	S	C	*	.	H	α-helix	trans	-61.1	-46.4	171.5	-177.4	179.9	177.3	-176.8	0	111.1	K701 D702 L703 N708 S709	K701-K705 PolarHBondContact O-N 2.8Å; D702-K705 PolarHBondContact O-N 3.09Å; L703-K705 VanDerWaalsContact C-N 3.32Å; L703-K705 PolarHBondContact O-N 2.92Å; K705-N708 PolarHBondContact O-N 3.17Å; K705-S709 WeakPolarHBondContact O-CB 3.47Å; K705-S709 PolarHBondContact O-N 3.12Å; K705-S709 VanDerWaalsContact O-N 3.09Å; K705-S709 PolarHBondContact O-OG 2.94Å
706	L	98.1	Very high	97.3	Very high	23 Å²	23	46 Å²	46	12%	0.12	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-47.8	179.9	178.3	60.4	0	0	0	111.6	F631 K634 I635 I638 D702 L703 N708 S709 T710	F631-L706 HydrophobicContact CD2-CD2 4.48Å; F631-L706 HydrophobicContact CD2-CG 4.34Å; F631-L706 HydrophobicContact CE2-CD1 4.46Å; F631-L706 HydrophobicContact CE2-CD2 4.12Å; F631-L706 HydrophobicContact CE2-CG 3.83Å; K634-L706 HydrophobicContact CB-CD1 3.91Å; K634-L706 HydrophobicContact CB-CD2 3.74Å; K634-L706 HydrophobicContact CB-CG 4.49Å; K634-L706 HydrophobicContact CD-CD1 3.93Å; K634-L706 HydrophobicContact CG-CD1 4.44Å; I635-L706 HydrophobicContact CG1-CD2 3.97Å; I638-L706 HydrophobicContact CD1-CD2 4.19Å; D702-L706 WeakPolarHBondContact O-CB 3.46Å; D702-L706 PolarHBondContact O-N 3.2Å; L703-L706 WeakPolarHBondContact O-CB 3.49Å; L703-L706 PolarHBondContact O-N 3.34Å; L703-L706 VanDerWaalsContact O-N 3.17Å; L706-N708 PolarHBondContact O-N 3.4Å; L706-S709 PolarHBondContact O-N 2.95Å; L706-S709 PolarHBondContact O-OG 3.03Å; L706-T710 WeakPolarHBondContact O-CB 3.32Å; L706-T710 PolarHBondContact O-N 3.23Å; L706-T710 VanDerWaalsContact O-N 3.12Å; L706-T710 PolarHBondContact O-OG1 3.42Å
707	I	97.5	Very high	97.4	Very high	18 Å²	18	46 Å²	46	9%	0.092	24%	0.235	C	C	.	.	H	α-helix	trans	-58.4	-49.3	176.9	-69.3	167.1	0	0	0	110.7	L541 L557 F631 L703 M704 S709 T710	L541-I707 HydrophobicContact CD2-CD1 4.19Å; L541-I707 HydrophobicContact CD2-CG2 3.94Å; L557-I707 HydrophobicContact CD1-CD1 3.94Å; F631-I707 HydrophobicContact CZ-CG1 4.15Å; L703-I707 HydrophobicContact CD1-CD1 3.9Å; L703-I707 HydrophobicContact CD1-CG1 4.16Å; L703-I707 HydrophobicContact CD2-CD1 4.35Å; L703-I707 HydrophobicContact CG-CD1 3.77Å; L703-I707 HydrophobicContact CG-CG1 4.4Å; L703-I707 VanDerWaalsContact O-CG1 3.32Å; L703-I707 WeakPolarHBondContact O-CG1 3.38Å; L703-I707 PolarHBondContact O-N 2.97Å; M704-I707 HydrophobicContact SD-CD1 4.21Å; I707-S709 PolarHBondContact O-N 3.39Å; I707-T710 PolarHBondContact O-N 3.06Å; I707-T710 VanDerWaalsContact O-N 3.08Å
708	N	95.6	Very high	97.5	Very high	108 Å²	108	45.2 Å²	45.2	58%	0.578	23%	0.229	S	C	*	.	H	α-helix	trans	-64.8	-26.7	-178.7	-74.9	-6.6	0	0	0	113.5	M704 K705 L706	M704-N708 WeakPolarHBondContact O-CB 3.27Å; M704-N708 VanDerWaalsContact O-CG 3.31Å; M704-N708 PolarHBondContact O-N 3.47Å; K705-N708 PolarHBondContact O-N 3.17Å; L706-N708 PolarHBondContact O-N 3.4Å
709	S	96.8	Very high	97.6	Very high	92 Å²	92	38.5 Å²	38.5	64%	0.643	20%	0.2	S	C	*	.	H	α-helix	trans	-87.9	-7.6	176.4	67.9	0	0	0	0	114.2	K705 L706 I707	K705-S709 WeakPolarHBondContact O-CB 3.47Å; K705-S709 PolarHBondContact O-N 3.12Å; K705-S709 VanDerWaalsContact O-N 3.09Å; K705-S709 PolarHBondContact O-OG 2.94Å; L706-S709 PolarHBondContact O-N 2.95Å; L706-S709 PolarHBondContact O-OG 3.03Å; I707-S709 PolarHBondContact O-N 3.39Å
710	T	98.2	Very high	97.6	Very high	28 Å²	28	38.5 Å²	38.5	17%	0.172	20%	0.2	C	C	.	.	S	Bend	trans	-104.2	141.1	-176.4	-56.1	0	0	0	0	109.8	F631 L706 I707 S712 T714 V715	F631-T710 HydrophobicContact CD2-CG2 3.69Å; F631-T710 HydrophobicContact CE2-CG2 4Å; F631-T710 HydrophobicContact CG-CG2 4.47Å; L706-T710 WeakPolarHBondContact O-CB 3.32Å; L706-T710 PolarHBondContact O-N 3.23Å; L706-T710 VanDerWaalsContact O-N 3.12Å; L706-T710 PolarHBondContact O-OG1 3.42Å; I707-T710 PolarHBondContact O-N 3.06Å; I707-T710 VanDerWaalsContact O-N 3.08Å; T710-S712 PolarHBondContact O-N 3.49Å; T710-T714 HydrophobicContact CG2-CG2 4.01Å; T710-V715 HydrophobicContact CG2-CG2 3.85Å
711	D	97.9	Very high	97.6	Very high	93 Å²	93	38.5 Å²	38.5	50%	0.497	20%	0.2	S	C	.	.			trans	-53.8	129.8	172.7	166.5	72.8	0	0	0	111.4	R713 T714 V715	D711-R713 PolarHBondContact O-N 2.76Å; D711-R713 WeakPolarHBondContact OD2-CB 3.43Å; D711-R713 PolarHBondContact OD2-N 3Å; D711-T714 WeakPolarHBondContact O-CA 3.43Å; D711-T714 VanDerWaalsContact O-CB 3.31Å; D711-T714 WeakPolarHBondContact O-CB 3.48Å; D711-T714 PolarHBondContact O-N 3.39Å; D711-T714 PolarHBondContact OD2-N 3.1Å; D711-T714 PolarHBondContact OD2-OG1 3.37Å; D711-V715 PolarHBondContact O-N 2.89Å; D711-V715 VanDerWaalsContact O-N 3.16Å
712	S	97.1	Very high	97.6	Very high	41 Å²	41	33.1 Å²	33.1	29%	0.287	18%	0.177	S	C	.	.	H	α-helix	trans	-62.6	-30.2	-172.6	57.7	0	0	0	0	112.7	T710 T714 V715 A716	T710-S712 PolarHBondContact O-N 3.49Å; S712-T714 VanDerWaalsContact C-N 3.34Å; S712-V715 PolarHBondContact O-N 3.5Å; S712-A716 WeakPolarHBondContact O-CB 3.39Å; S712-A716 PolarHBondContact O-N 3.29Å
713	R	97.7	Very high	97.4	Very high	51 Å²	51	30.4 Å²	30.4	19%	0.192	16%	0.162	C	C	.	.	H	α-helix	trans	-66.3	-38.4	174.6	-167.7	-171.6	180	90	-5.6	111.3	P522 D526 W534 D711 A716 N717	P522-R713 HydrophobicContact CB-CG 3.63Å; P522-R713 HydrophobicContact CG-CG 4.13Å; P522-R713 PolarHBondContact O-NH2 2.81Å; D526-R713 IonicContact OD1-CZ 3.79Å; D526-R713 IonicContact OD1-NH2 2.71Å; D526-R713 PolarHBondContact OD1-NH2 2.87Å; D526-R713 IonicContact OD2-CZ 3.96Å; D526-R713 IonicContact OD2-NH2 2.81Å; D526-R713 PolarHBondContact OD2-NH2 2.97Å; W534-R713 HydrophobicContact CE3-CB 4.46Å; W534-R713 HydrophobicContact CE3-CG 4.14Å; W534-R713 HydrophobicContact CH2-CB 3.97Å; W534-R713 HydrophobicContact CH2-CG 4.46Å; W534-R713 HydrophobicContact CZ3-CB 3.65Å; W534-R713 HydrophobicContact CZ3-CG 3.82Å; D711-R713 PolarHBondContact O-N 2.76Å; D711-R713 WeakPolarHBondContact OD2-CB 3.43Å; D711-R713 PolarHBondContact OD2-N 3Å; R713-A716 PolarHBondContact O-N 3.12Å; R713-N717 WeakPolarHBondContact O-CB 3.44Å; R713-N717 PolarHBondContact O-N 3.44Å; R713-N717 PolarHBondContact O-ND2 2.87Å
714	T	98.7	Very high	97.4	Very high	13 Å²	13	30.4 Å²	30.4	8%	0.08	16%	0.163	C	C	.	.	H	α-helix	trans	-63.6	-45.9	174.9	-57.7	0	0	0	0	111.2	K627 F631 T710 D711 S712 N717 Y718	K627-T714 HydrophobicContact CB-CG2 3.8Å; K627-T714 WeakPolarHBondContact O-CG2 3.39Å; F631-T714 HydrophobicContact CB-CG2 4.11Å; T710-T714 HydrophobicContact CG2-CG2 4.01Å; D711-T714 WeakPolarHBondContact O-CA 3.43Å; D711-T714 VanDerWaalsContact O-CB 3.31Å; D711-T714 WeakPolarHBondContact O-CB 3.48Å; D711-T714 PolarHBondContact O-N 3.39Å; D711-T714 PolarHBondContact OD2-N 3.1Å; D711-T714 PolarHBondContact OD2-OG1 3.37Å; S712-T714 VanDerWaalsContact C-N 3.34Å; T714-N717 PolarHBondContact O-N 3.4Å; T714-Y718 PolarHBondContact O-N 3.02Å
715	V	98.5	Very high	97.4	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-61.7	-45.8	176.4	-176.9	0	0	0	0	111	W539 L541 F631 T710 D711 S712 N717 Y718 I719	W539-V715 HydrophobicContact CH2-CB 4.27Å; W539-V715 HydrophobicContact CH2-CG1 3.98Å; L541-V715 HydrophobicContact CD1-CG1 4.46Å; F631-V715 HydrophobicContact CE1-CG1 4.3Å; F631-V715 HydrophobicContact CE1-CG2 4.37Å; F631-V715 HydrophobicContact CE2-CG2 4.04Å; F631-V715 HydrophobicContact CZ-CB 4.5Å; F631-V715 HydrophobicContact CZ-CG1 4.21Å; F631-V715 HydrophobicContact CZ-CG2 3.88Å; T710-V715 HydrophobicContact CG2-CG2 3.85Å; D711-V715 PolarHBondContact O-N 2.89Å; D711-V715 VanDerWaalsContact O-N 3.16Å; S712-V715 PolarHBondContact O-N 3.5Å; V715-N717 PolarHBondContact O-N 2.9Å; V715-Y718 PolarHBondContact O-N 3.43Å; V715-I719 HydrophobicContact CG1-CD1 3.86Å; V715-I719 WeakPolarHBondContact O-CG1 3.33Å; V715-I719 PolarHBondContact O-N 3.15Å
716	A	98.1	Very high	97.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63	-41	177.2	0	0	0	0	0	112.3	P522 W534 W539 S712 R713 I719 Q720	P522-A716 HydrophobicContact CG-CB 3.69Å; W534-A716 HydrophobicContact CH2-CB 4.44Å; W534-A716 HydrophobicContact CZ2-CB 3.61Å; W539-A716 HydrophobicContact CD2-CB 4.2Å; W539-A716 HydrophobicContact CE3-CB 4.47Å; W539-A716 HydrophobicContact CH2-CB 4.12Å; W539-A716 HydrophobicContact CZ2-CB 3.87Å; W539-A716 HydrophobicContact CZ3-CB 4.43Å; S712-A716 WeakPolarHBondContact O-CB 3.39Å; S712-A716 PolarHBondContact O-N 3.29Å; R713-A716 PolarHBondContact O-N 3.12Å; A716-I719 PolarHBondContact O-N 3.12Å; A716-Q720 WeakPolarHBondContact O-CG 3.22Å; A716-Q720 PolarHBondContact O-N 3.18Å
717	N	98.6	Very high	97	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.011	14%	0.143	C	C	.	.	H	α-helix	trans	-61.2	-43.8	174.9	-88.8	-41.7	0	0	0	112.4	W521 P522 V523 Q624 M625 A628 R713 T714 V715 W721	W521-N717 VanDerWaalsContact CD1-OD1 3.23Å; W521-N717 PolarHBondContact NE1-O 2.98Å; W521-N717 PolarHBondContact NE1-OD1 3.44Å; P522-N717 WeakPolarHBondContact CD-OD1 3.01Å; V523-N717 PolarHBondContact N-OD1 3.27Å; V523-N717 VanDerWaalsContact N-OD1 3.14Å; Q624-N717 PolarHBondContact OE1-ND2 3.34Å; M625-N717 HydrophobicContact CE-CB 3.95Å; A628-N717 HydrophobicContact CB-CB 4.47Å; R713-N717 WeakPolarHBondContact O-CB 3.44Å; R713-N717 PolarHBondContact O-N 3.44Å; R713-N717 PolarHBondContact O-ND2 2.87Å; T714-N717 PolarHBondContact O-N 3.4Å; V715-N717 PolarHBondContact O-N 2.9Å; N717-W721 VanDerWaalsContact O-CB 3.28Å; N717-W721 WeakPolarHBondContact O-CB 3.27Å; N717-W721 PolarHBondContact O-N 2.97Å
718	Y	98.6	Very high	96.8	Very high	3 Å²	3	24.4 Å²	24.4	1%	0.012	14%	0.138	C	C	.	.	H	α-helix	trans	-60.6	-48.2	175.5	170.7	-106.4	0	0	0	111.6	V556 L557 F631 E632 I635 T714 V715 Q720 W721 R722	V556-Y718 HydrophobicContact CG1-CD1 4.39Å; V556-Y718 HydrophobicContact CG1-CE1 3.78Å; L557-Y718 HydrophobicContact CD2-CD1 4.09Å; L557-Y718 HydrophobicContact CD2-CE1 3.58Å; L557-Y718 HydrophobicContact CG-CE1 4.39Å; F631-Y718 AromaticContact CD1-CD1 3.79Å; F631-Y718 HydrophobicContact CD1-CD1 3.79Å; F631-Y718 HydrophobicContact CD1-CD2 4.44Å; F631-Y718 AromaticContact CD1-CG 3.71Å; F631-Y718 HydrophobicContact CD1-CG 3.71Å; F631-Y718 AromaticContact CE1-CD1 3.7Å; F631-Y718 HydrophobicContact CE1-CD1 3.7Å; F631-Y718 HydrophobicContact CE1-CE1 4.38Å; F631-Y718 HydrophobicContact CE1-CG 4.1Å; E632-Y718 HydrophobicContact CB-CD2 4.01Å; E632-Y718 HydrophobicContact CB-CE2 3.57Å; E632-Y718 VanDerWaalsContact CD-CE2 3.44Å; E632-Y718 HydrophobicContact CG-CE2 3.6Å; E632-Y718 WeakPolarHBondContact OE1-CE2 3.25Å; E632-Y718 PolarHBondContact OE1-OH 3.09Å; I635-Y718 HydrophobicContact CD1-CD1 4.27Å; I635-Y718 HydrophobicContact CD1-CE1 3.74Å; T714-Y718 PolarHBondContact O-N 3.02Å; V715-Y718 PolarHBondContact O-N 3.43Å; Y718-Q720 PolarHBondContact O-N 3.5Å; Y718-W721 WeakPolarHBondContact O-CB 3.09Å; Y718-W721 PolarHBondContact O-N 3.07Å; Y718-R722 HydrophobicContact CD2-CG 4.3Å; Y718-R722 HydrophobicContact CE1-CG 4.1Å; Y718-R722 HydrophobicContact CE2-CG 3.75Å; Y718-R722 WeakPolarHBondContact O-CG 3.42Å; Y718-R722 PolarHBondContact O-N 3.25Å
719	I	97.9	Very high	96.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-60.4	-46.9	-178.4	-70.4	167.3	0	0	0	111	W539 L541 T544 L545 M548 V556 L557 V715 A716 R722 T723	W539-I719 HydrophobicContact CH2-CD1 4.27Å; W539-I719 HydrophobicContact CZ2-CD1 3.94Å; L541-I719 HydrophobicContact CD1-CD1 3.26Å; T544-I719 HydrophobicContact CG2-CG2 3.7Å; L545-I719 HydrophobicContact CD2-CD1 4.12Å; L545-I719 HydrophobicContact CD2-CG1 4.43Å; L545-I719 HydrophobicContact CD2-CG2 4.37Å; M548-I719 HydrophobicContact CE-CG2 4.48Å; M548-I719 HydrophobicContact SD-CG2 3.3Å; M548-I719 WeakPolarHBondContact SD-CG2 3.45Å; V556-I719 HydrophobicContact CG1-CG1 4.21Å; L557-I719 HydrophobicContact CD1-CD1 4Å; L557-I719 HydrophobicContact CD1-CG1 4.22Å; V715-I719 HydrophobicContact CG1-CD1 3.86Å; V715-I719 WeakPolarHBondContact O-CG1 3.33Å; V715-I719 PolarHBondContact O-N 3.15Å; A716-I719 PolarHBondContact O-N 3.12Å; I719-R722 WeakPolarHBondContact O-CB 3.48Å; I719-R722 PolarHBondContact O-N 3.18Å; I719-T723 PolarHBondContact O-N 2.89Å; I719-T723 PolarHBondContact O-OG1 3.4Å
720	Q	97.3	Very high	96.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-72.2	-31.2	179.4	-60.9	-50.4	-23.5	0	0	113.2	E518 F519 W521 A716 Y718 R722 T723 V724	E518-Q720 PolarHBondContact O-NE2 3.29Å; F519-Q720 PolarHBondContact O-OE1 3.21Å; W521-Q720 HydrophobicContact CB-CB 3.83Å; W521-Q720 HydrophobicContact CB-CG 4.23Å; W521-Q720 VanDerWaalsContact CD1-CB 3.41Å; W521-Q720 HydrophobicContact CD2-CB 4.36Å; W521-Q720 HydrophobicContact CG-CB 3.63Å; W521-Q720 HydrophobicContact CG-CG 4.46Å; A716-Q720 WeakPolarHBondContact O-CG 3.22Å; A716-Q720 PolarHBondContact O-N 3.18Å; Y718-Q720 PolarHBondContact O-N 3.5Å; Q720-R722 VanDerWaalsContact C-N 3.28Å; Q720-R722 PolarHBondContact O-N 3.1Å; Q720-T723 VanDerWaalsContact O-CB 3.27Å; Q720-T723 WeakPolarHBondContact O-CB 3.4Å; Q720-T723 PolarHBondContact O-N 3.04Å; Q720-T723 VanDerWaalsContact O-N 3.13Å; Q720-T723 PolarHBondContact OE1-OG1 3.1Å; Q720-V724 WeakPolarHBondContact O-CG2 3.32Å; Q720-V724 PolarHBondContact O-N 3.46Å
721	W	98	Very high	96.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-55.8	-45.3	168.1	161.8	-117.8	0	0	0	111.1	W521 S582 L603 L606 M607 A610 N717 Y718 T723 V724 F725	W521-W721 HydrophobicContact CH2-CE3 4.08Å; W521-W721 HydrophobicContact CZ2-CB 4.07Å; W521-W721 HydrophobicContact CZ2-CE3 4.2Å; S582-W721 PolarHBondContact OG-NE1 3.13Å; L603-W721 HydrophobicContact CD1-CZ2 3.63Å; L606-W721 HydrophobicContact CB-CH2 4.46Å; L606-W721 HydrophobicContact CD2-CH2 3.99Å; L606-W721 HydrophobicContact CG-CH2 3.88Å; M607-W721 HydrophobicContact CB-CD2 4.37Å; M607-W721 HydrophobicContact CB-CE3 4.28Å; M607-W721 HydrophobicContact CB-CH2 4.32Å; M607-W721 HydrophobicContact CB-CZ2 4.39Å; M607-W721 HydrophobicContact CB-CZ3 4.26Å; M607-W721 HydrophobicContact CE-CD2 4.28Å; M607-W721 HydrophobicContact CE-CG 3.91Å; M607-W721 HydrophobicContact CG-CD2 3.54Å; M607-W721 HydrophobicContact CG-CE3 3.88Å; M607-W721 HydrophobicContact CG-CG 4.17Å; M607-W721 HydrophobicContact CG-CH2 3.69Å; M607-W721 HydrophobicContact CG-CZ2 3.32Å; M607-W721 HydrophobicContact CG-CZ3 3.96Å; M607-W721 HydrophobicContact SD-CD2 4.47Å; M607-W721 HydrophobicContact SD-CZ2 4.45Å; A610-W721 HydrophobicContact CB-CZ3 4.01Å; N717-W721 VanDerWaalsContact O-CB 3.28Å; N717-W721 WeakPolarHBondContact O-CB 3.27Å; N717-W721 PolarHBondContact O-N 2.97Å; Y718-W721 WeakPolarHBondContact O-CB 3.09Å; Y718-W721 PolarHBondContact O-N 3.07Å; W721-T723 VanDerWaalsContact C-N 3.26Å; W721-T723 PolarHBondContact O-N 3.16Å; W721-V724 PolarHBondContact O-N 3.11Å; W721-F725 HydrophobicContact CD2-CB 4.31Å; W721-F725 HydrophobicContact CE3-CB 4.49Å; W721-F725 HydrophobicContact CH2-CB 4.05Å; W721-F725 AromaticContact CH2-CD2 3.65Å; W721-F725 HydrophobicContact CH2-CD2 3.65Å; W721-F725 HydrophobicContact CH2-CG 4.28Å; W721-F725 HydrophobicContact CZ2-CB 3.85Å; W721-F725 AromaticContact CZ2-CD2 3.44Å; W721-F725 HydrophobicContact CZ2-CD2 3.44Å; W721-F725 VanDerWaalsContact CZ2-CD2 3.44Å; W721-F725 HydrophobicContact CZ2-CE2 4.27Å; W721-F725 AromaticContact CZ2-CG 3.9Å; W721-F725 HydrophobicContact CZ2-CG 3.9Å; W721-F725 HydrophobicContact CZ3-CB 4.37Å; W721-F725 VanDerWaalsContact O-CB 3.29Å; W721-F725 WeakPolarHBondContact O-CB 3.19Å; W721-F725 PolarHBondContact O-N 3.32Å
722	R	97.1	Very high	96.1	Very high	3 Å²	3	11.9 Å²	11.9	1%	0.011	7%	0.065	C	C	.	.	H	α-helix	trans	-62.9	-33.2	177.9	-63	-69.6	-69.1	154.4	-4.8	112.2	V556 S580 L581 S582 Y718 I719 Q720 S726	V556-R722 HydrophobicContact CG1-CB 3.99Å; V556-R722 HydrophobicContact CG1-CG 3.84Å; V556-R722 HydrophobicContact CG2-CB 3.65Å; V556-R722 HydrophobicContact CG2-CG 4.35Å; S580-R722 VanDerWaalsContact C-NH2 3.34Å; S580-R722 PolarHBondContact O-NH2 3.07Å; L581-R722 VanDerWaalsContact O-CZ 3.24Å; L581-R722 PolarHBondContact O-NH1 3.35Å; L581-R722 PolarHBondContact O-NH2 3.17Å; S582-R722 WeakPolarHBondContact OG-CD 3.22Å; S582-R722 PolarHBondContact OG-NH1 2.77Å; Y718-R722 HydrophobicContact CD2-CG 4.3Å; Y718-R722 HydrophobicContact CE1-CG 4.1Å; Y718-R722 HydrophobicContact CE2-CG 3.75Å; Y718-R722 WeakPolarHBondContact O-CG 3.42Å; Y718-R722 PolarHBondContact O-N 3.25Å; I719-R722 WeakPolarHBondContact O-CB 3.48Å; I719-R722 PolarHBondContact O-N 3.18Å; Q720-R722 VanDerWaalsContact C-N 3.28Å; Q720-R722 PolarHBondContact O-N 3.1Å; R722-S726 PolarHBondContact O-N 3.42Å
723	T	93.4	Very high	96.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.2	-55.4	170.1	-45.1	0	0	0	0	110.9	M513 M548 I719 Q720 W721 F725 S726	M513-T723 HydrophobicContact CE-CG2 3.84Å; M513-T723 HydrophobicContact SD-CG2 4.3Å; M548-T723 HydrophobicContact CE-CG2 4.42Å; M548-T723 WeakPolarHBondContact CE-OG1 3.39Å; M548-T723 PolarHBondContact SD-OG1 3.42Å; I719-T723 PolarHBondContact O-N 2.89Å; I719-T723 PolarHBondContact O-OG1 3.4Å; Q720-T723 VanDerWaalsContact O-CB 3.27Å; Q720-T723 WeakPolarHBondContact O-CB 3.4Å; Q720-T723 PolarHBondContact O-N 3.04Å; Q720-T723 VanDerWaalsContact O-N 3.13Å; Q720-T723 PolarHBondContact OE1-OG1 3.1Å; W721-T723 VanDerWaalsContact C-N 3.26Å; W721-T723 PolarHBondContact O-N 3.16Å; T723-F725 PolarHBondContact O-N 3.4Å; T723-S726 PolarHBondContact O-N 3.32Å; T723-S726 PolarHBondContact O-OG 3.28Å
724	V	96.3	Very high	96	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.006	8%	0.083	C	C	.	.	H	α-helix	trans	-61.2	-46.7	-176.5	170.3	0	0	0	0	111.3	M510 L514 W521 A610 L614 Q720 W721 S726 K727 I728	M510-V724 HydrophobicContact SD-CG1 4.02Å; M510-V724 HydrophobicContact SD-CG2 4.22Å; L514-V724 HydrophobicContact CD1-CG2 4.07Å; L514-V724 HydrophobicContact CD2-CG2 4.25Å; W521-V724 HydrophobicContact CD2-CG2 4.47Å; W521-V724 HydrophobicContact CE3-CG2 3.8Å; W521-V724 HydrophobicContact CH2-CB 4.45Å; W521-V724 HydrophobicContact CH2-CG1 4.32Å; W521-V724 HydrophobicContact CH2-CG2 4.38Å; W521-V724 HydrophobicContact CZ3-CB 4.23Å; W521-V724 HydrophobicContact CZ3-CG1 4.05Å; W521-V724 HydrophobicContact CZ3-CG2 3.76Å; A610-V724 HydrophobicContact CB-CG1 4.4Å; L614-V724 HydrophobicContact CD1-CG1 4.03Å; L614-V724 HydrophobicContact CD1-CG2 4.41Å; Q720-V724 WeakPolarHBondContact O-CG2 3.32Å; Q720-V724 PolarHBondContact O-N 3.46Å; W721-V724 PolarHBondContact O-N 3.11Å; V724-S726 PolarHBondContact O-N 3.01Å; V724-K727 CarbonylContact O-C 3.59Å; V724-K727 PolarHBondContact O-N 3.38Å; V724-I728 PolarHBondContact O-N 3.28Å
725	F	96.9	Very high	95.9	Very high	32 Å²	32	17.8 Å²	17.8	14%	0.14	8%	0.08	C	C	.	.	H	α-helix	trans	-54.6	-39.7	177.3	-177.4	-107.9	0	0	0	112	L606 W721 T723 K727 I728 Y739 F742	L606-F725 HydrophobicContact CD2-CD2 3.99Å; L606-F725 HydrophobicContact CD2-CE2 3.78Å; W721-F725 HydrophobicContact CD2-CB 4.31Å; W721-F725 HydrophobicContact CE3-CB 4.49Å; W721-F725 HydrophobicContact CH2-CB 4.05Å; W721-F725 AromaticContact CH2-CD2 3.65Å; W721-F725 HydrophobicContact CH2-CD2 3.65Å; W721-F725 HydrophobicContact CH2-CG 4.28Å; W721-F725 HydrophobicContact CZ2-CB 3.85Å; W721-F725 AromaticContact CZ2-CD2 3.44Å; W721-F725 HydrophobicContact CZ2-CD2 3.44Å; W721-F725 VanDerWaalsContact CZ2-CD2 3.44Å; W721-F725 HydrophobicContact CZ2-CE2 4.27Å; W721-F725 AromaticContact CZ2-CG 3.9Å; W721-F725 HydrophobicContact CZ2-CG 3.9Å; W721-F725 HydrophobicContact CZ3-CB 4.37Å; W721-F725 VanDerWaalsContact O-CB 3.29Å; W721-F725 WeakPolarHBondContact O-CB 3.19Å; W721-F725 PolarHBondContact O-N 3.32Å; T723-F725 PolarHBondContact O-N 3.4Å; F725-K727 PolarHBondContact O-N 3.33Å; F725-I728 WeakPolarHBondContact O-CG2 3.47Å; F725-Y739 HydrophobicContact CE2-CD2 4.49Å; F725-Y739 HydrophobicContact CE2-CE2 4.03Å; F725-Y739 HydrophobicContact CZ-CE2 4.23Å; F725-F742 HydrophobicContact CE2-CE1 4.08Å; F725-F742 HydrophobicContact CE2-CZ 4.48Å; F725-F742 HydrophobicContact CZ-CE1 4.09Å; F725-F742 HydrophobicContact CZ-CZ 4.46Å
726	S	93.4	Very high	95.8	Very high	29 Å²	29	18.8 Å²	18.8	20%	0.203	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-3.6	179.3	80.4	0	0	0	0	115.2	R722 T723 V724	R722-S726 PolarHBondContact O-N 3.42Å; T723-S726 PolarHBondContact O-N 3.32Å; T723-S726 PolarHBondContact O-OG 3.28Å; V724-S726 PolarHBondContact O-N 3.01Å
727	K	92.7	Very high	95.7	Very high	15 Å²	15	24.4 Å²	24.4	7%	0.065	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.5	-6.6	-174.2	-62.2	-68.3	159.9	-98.7	0	113.2	M510 V724 F725 T729 T730 M860 L863	M510-K727 HydrophobicContact CE-CB 3.62Å; V724-K727 CarbonylContact O-C 3.59Å; V724-K727 PolarHBondContact O-N 3.38Å; F725-K727 PolarHBondContact O-N 3.33Å; K727-T729 PolarHBondContact O-N 3.31Å; K727-T729 VanDerWaalsContact O-N 3.15Å; K727-T730 PolarHBondContact O-N 2.74Å; K727-T730 PolarHBondContact O-OG1 2.97Å; K727-M860 HydrophobicContact CD-SD 4.45Å; K727-L863 HydrophobicContact CD-CD1 4.32Å
728	I	93.4	Very high	95.7	Very high	0 Å²	0	26 Å²	26	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-58.2	-33.8	-178.9	-159.5	164.4	0	0	0	111.5	L606 A610 V724 F725 T730 L731 F735 Y739	L606-I728 HydrophobicContact CD1-CD1 3.96Å; A610-I728 HydrophobicContact CB-CD1 3.92Å; V724-I728 PolarHBondContact O-N 3.28Å; F725-I728 WeakPolarHBondContact O-CG2 3.47Å; I728-T730 VanDerWaalsContact C-N 3.25Å; I728-T730 PolarHBondContact O-N 3.47Å; I728-L731 PolarHBondContact O-N 2.87Å; I728-F735 HydrophobicContact CD1-CD1 4.24Å; I728-F735 HydrophobicContact CG1-CB 3.92Å; I728-F735 HydrophobicContact CG1-CD1 3.81Å; I728-F735 HydrophobicContact CG1-CG 4.31Å; I728-Y739 HydrophobicContact CG2-CD2 3.78Å; I728-Y739 HydrophobicContact CG2-CG 4.34Å
729	T	91.8	Very high	95.6	Very high	44 Å²	44	29.6 Å²	29.6	27%	0.27	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-76.9	-3.6	178.2	61.9	0	0	0	0	113.6	K727 L736 Y739 K758	K727-T729 PolarHBondContact O-N 3.31Å; K727-T729 VanDerWaalsContact O-N 3.15Å; T729-L736 HydrophobicContact CG2-CD2 4.35Å; T729-L736 WeakPolarHBondContact O-CD2 3.35Å; T729-Y739 HydrophobicContact CG2-CD1 3.98Å; T729-Y739 HydrophobicContact CG2-CD2 4.13Å; T729-Y739 HydrophobicContact CG2-CE1 4.24Å; T729-Y739 HydrophobicContact CG2-CE2 4.36Å; T729-Y739 HydrophobicContact CG2-CG 3.93Å; T729-K758 VanDerWaalsContact O-CE 3.23Å; T729-K758 WeakPolarHBondContact O-CE 3.45Å; T729-K758 PolarHBondContact O-NZ 3.46Å
730	T	93.1	Very high	95.6	Very high	11 Å²	11	29.9 Å²	29.9	7%	0.067	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-99.6	3.4	176.4	63.6	0	0	0	0	113.3	K727 I728 Y855 V859	K727-T730 PolarHBondContact O-N 2.74Å; K727-T730 PolarHBondContact O-OG1 2.97Å; I728-T730 VanDerWaalsContact C-N 3.25Å; I728-T730 PolarHBondContact O-N 3.47Å; T730-Y855 HydrophobicContact CG2-CE1 4.42Å; T730-V859 HydrophobicContact CG2-CG1 4.33Å; T730-V859 HydrophobicContact CG2-CG2 4.46Å
731	L	94.8	Very high	95.6	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	14%	0.143	C	C	.	.	S	Bend	trans	-96.3	-167.4	179.9	-60.3	-173.7	0	0	0	112.6	M510 I728 F735 Y856	M510-L731 HydrophobicContact CB-CD1 4.28Å; M510-L731 HydrophobicContact CB-CD2 4.14Å; M510-L731 HydrophobicContact CE-CD1 3.34Å; M510-L731 HydrophobicContact CE-CD2 4.01Å; M510-L731 HydrophobicContact CE-CG 3.69Å; M510-L731 HydrophobicContact SD-CD1 3.87Å; I728-L731 PolarHBondContact O-N 2.87Å; L731-F735 HydrophobicContact CB-CB 4.05Å; L731-F735 HydrophobicContact CB-CD2 3.68Å; L731-F735 HydrophobicContact CB-CE2 4.35Å; L731-F735 HydrophobicContact CB-CG 3.98Å; L731-F735 HydrophobicContact CD1-CD1 3.92Å; L731-F735 HydrophobicContact CD1-CD2 3.65Å; L731-F735 HydrophobicContact CD1-CE1 3.95Å; L731-F735 HydrophobicContact CD1-CE2 3.69Å; L731-F735 HydrophobicContact CD1-CG 3.77Å; L731-F735 HydrophobicContact CD1-CZ 3.84Å; L731-F735 HydrophobicContact CG-CD2 4.36Å; L731-Y856 HydrophobicContact CD2-CD2 3.95Å; L731-Y856 HydrophobicContact CD2-CE2 3.88Å
732	S	95.6	Very high	95.6	Very high	0 Å²	0	33 Å²	33	0%	0	15%	0.145	C	C	.	.			trans	-61.3	166.5	175.1	62.1	0	0	0	0	113.5	E503 D506 R734 F735 L736	E503-S732 WeakPolarHBondContact OE1-CA 3.31Å; D506-S732 WeakPolarHBondContact OD1-CB 3.32Å; D506-S732 PolarHBondContact OD1-OG 2.73Å; S732-R734 VanDerWaalsContact C-N 3.28Å; S732-R734 PolarHBondContact O-N 3.39Å; S732-R734 WeakPolarHBondContact OG-CG 3.45Å; S732-F735 PolarHBondContact O-N 3.45Å; S732-F735 WeakPolarHBondContact OG-CD2 3.25Å; S732-L736 PolarHBondContact O-N 3.31Å
733	R	95.3	Very high	95.6	Very high	112 Å²	112	33.2 Å²	33.2	42%	0.423	15%	0.147	S	C	.	.	H	α-helix	trans	-58.6	-33.1	-174.6	-168.2	179.2	-67.9	-179.4	-4.9	113.7	E499 E503 F735 L736 Y737	E499-R733 IonicContact OE2-CZ 2.68Å; E499-R733 IonicContact OE2-NE 3.32Å; E499-R733 IonicContact OE2-NH2 3.34Å; E499-R733 PolarHBondContact OE2-NH2 3.06Å; E503-R733 WeakPolarHBondContact OE1-CB 3.38Å; E503-R733 PolarHBondContact OE1-N 3.14Å; R733-F735 VanDerWaalsContact C-N 3.29Å; R733-F735 PolarHBondContact O-N 3.2Å; R733-L736 WeakPolarHBondContact O-CB 3.35Å; R733-L736 PolarHBondContact O-N 2.93Å; R733-Y737 HydrophobicContact CG-CD2 3.7Å; R733-Y737 HydrophobicContact CG-CE2 3.38Å; R733-Y737 WeakPolarHBondContact O-CD2 3.32Å; R733-Y737 PolarHBondContact O-N 3.11Å
734	R	96.1	Very high	95.7	Very high	115 Å²	115	38 Å²	38	43%	0.434	17%	0.165	S	C	.	.	H	α-helix	trans	-62.6	-34.7	176.8	63.3	175.4	-169.9	167.7	8.4	113	D506 M613 S732 R738	D506-R734 IonicContact OD1-CZ 3.96Å; D506-R734 IonicContact OD1-NE 3.72Å; D506-R734 PolarHBondContact OD1-NE 3.01Å; D506-R734 IonicContact OD1-NH2 3.28Å; D506-R734 PolarHBondContact OD1-NH2 2.93Å; D506-R734 IonicContact OD2-CZ 2.96Å; D506-R734 IonicContact OD2-NE 2.95Å; D506-R734 PolarHBondContact OD2-NE 2.89Å; D506-R734 IonicContact OD2-NH1 3.93Å; D506-R734 IonicContact OD2-NH2 2.65Å; D506-R734 PolarHBondContact OD2-NH2 3.41Å; M613-R734 HydrophobicContact CE-CB 3.98Å; M613-R734 HydrophobicContact CE-CG 3.59Å; S732-R734 VanDerWaalsContact C-N 3.28Å; S732-R734 PolarHBondContact O-N 3.39Å; S732-R734 WeakPolarHBondContact OG-CG 3.45Å; R734-R738 PolarHBondContact O-N 3.27Å
735	F	97.4	Very high	95.7	Very high	1 Å²	1	40.9 Å²	40.9	0%	0.004	18%	0.183	C	C	.	.	H	α-helix	trans	-73.4	-36.7	174.9	-72.4	-84.6	0	0	0	111.4	A507 M613 L614 I728 L731 S732 R733 R738 Y739	A507-F735 HydrophobicContact CB-CE2 4Å; A507-F735 HydrophobicContact CB-CZ 3.94Å; M613-F735 HydrophobicContact CB-CE1 3.76Å; M613-F735 HydrophobicContact CB-CZ 3.92Å; M613-F735 HydrophobicContact CE-CB 4.47Å; M613-F735 HydrophobicContact CE-CD1 3.64Å; M613-F735 HydrophobicContact CE-CD2 3.98Å; M613-F735 HydrophobicContact CE-CE1 3.77Å; M613-F735 HydrophobicContact CE-CE2 4.09Å; M613-F735 HydrophobicContact CE-CG 3.76Å; M613-F735 HydrophobicContact CE-CZ 3.99Å; M613-F735 HydrophobicContact SD-CD1 4.29Å; M613-F735 HydrophobicContact SD-CE1 4.3Å; L614-F735 HydrophobicContact CD2-CE1 4.47Å; L614-F735 HydrophobicContact CD2-CZ 4.2Å; L614-F735 HydrophobicContact CG-CE1 4.28Å; L614-F735 HydrophobicContact CG-CZ 4.37Å; I728-F735 HydrophobicContact CD1-CD1 4.24Å; I728-F735 HydrophobicContact CG1-CB 3.92Å; I728-F735 HydrophobicContact CG1-CD1 3.81Å; I728-F735 HydrophobicContact CG1-CG 4.31Å; L731-F735 HydrophobicContact CB-CB 4.05Å; L731-F735 HydrophobicContact CB-CD2 3.68Å; L731-F735 HydrophobicContact CB-CE2 4.35Å; L731-F735 HydrophobicContact CB-CG 3.98Å; L731-F735 HydrophobicContact CD1-CD1 3.92Å; L731-F735 HydrophobicContact CD1-CD2 3.65Å; L731-F735 HydrophobicContact CD1-CE1 3.95Å; L731-F735 HydrophobicContact CD1-CE2 3.69Å; L731-F735 HydrophobicContact CD1-CG 3.77Å; L731-F735 HydrophobicContact CD1-CZ 3.84Å; L731-F735 HydrophobicContact CG-CD2 4.36Å; S732-F735 PolarHBondContact O-N 3.45Å; S732-F735 WeakPolarHBondContact OG-CD2 3.25Å; R733-F735 VanDerWaalsContact C-N 3.29Å; R733-F735 PolarHBondContact O-N 3.2Å; F735-R738 PolarHBondContact O-N 2.88Å; F735-Y739 PolarHBondContact O-N 2.69Å
736	L	95.9	Very high	95.6	Very high	23 Å²	23	40.3 Å²	40.3	12%	0.12	18%	0.182	C	C	.	.	H	α-helix	trans	-63.1	-46	174.6	-68.5	173.5	0	0	0	112.2	T729 S732 R733 R738 Y739 L740 L752	T729-L736 HydrophobicContact CG2-CD2 4.35Å; T729-L736 WeakPolarHBondContact O-CD2 3.35Å; S732-L736 PolarHBondContact O-N 3.31Å; R733-L736 WeakPolarHBondContact O-CB 3.35Å; R733-L736 PolarHBondContact O-N 2.93Å; L736-R738 VanDerWaalsContact C-N 3.28Å; L736-R738 PolarHBondContact O-N 3.42Å; L736-Y739 PolarHBondContact O-N 3.08Å; L736-L740 PolarHBondContact O-N 3.14Å; L736-L752 HydrophobicContact CB-CD1 3.97Å; L736-L752 HydrophobicContact CB-CD2 4.08Å
737	Y	96.6	Very high	95.7	Very high	117 Å²	117	40.2 Å²	40.2	46%	0.459	18%	0.18	S	C	.	.	H	α-helix	trans	-62.6	-37.4	175.5	-79.9	-56.5	0	0	0	112.3	R733 L740 D741 L752	R733-Y737 HydrophobicContact CG-CD2 3.7Å; R733-Y737 HydrophobicContact CG-CE2 3.38Å; R733-Y737 WeakPolarHBondContact O-CD2 3.32Å; R733-Y737 PolarHBondContact O-N 3.11Å; Y737-L740 HydrophobicContact CD1-CD2 4.12Å; Y737-L740 HydrophobicContact CE1-CD2 4.48Å; Y737-L740 WeakPolarHBondContact O-CB 3.25Å; Y737-L740 PolarHBondContact O-N 3.18Å; Y737-D741 PolarHBondContact O-N 3.03Å; Y737-L752 HydrophobicContact CD1-CD1 4.1Å; Y737-L752 HydrophobicContact CD1-CG 4.39Å; Y737-L752 HydrophobicContact CE1-CD1 3.87Å; Y737-L752 HydrophobicContact CE1-CG 4.23Å
738	R	97.6	Very high	95.8	Very high	37 Å²	37	39.8 Å²	39.8	14%	0.14	18%	0.18	C	C	.	.	H	α-helix	trans	-66.4	-39.1	176.2	-169.3	65.8	-161	120.9	2.9	112.3	S605 L606 D609 M613 R734 F735 L736 L740 D741	S605-R738 VanDerWaalsContact CB-NH2 3.32Å; S605-R738 PolarHBondContact O-NH2 2.84Å; S605-R738 PolarHBondContact OG-NH2 3.12Å; L606-R738 HydrophobicContact CD1-CB 4.4Å; L606-R738 HydrophobicContact CD1-CG 3.7Å; D609-R738 HydrophobicContact CB-CG 4.16Å; D609-R738 IonicContact OD2-CZ 2.64Å; D609-R738 IonicContact OD2-NE 3.53Å; D609-R738 PolarHBondContact OD2-NE 2.85Å; D609-R738 IonicContact OD2-NH2 2.66Å; D609-R738 PolarHBondContact OD2-NH2 3.03Å; M613-R738 HydrophobicContact SD-CB 4.32Å; M613-R738 HydrophobicContact SD-CG 4.34Å; R734-R738 PolarHBondContact O-N 3.27Å; F735-R738 PolarHBondContact O-N 2.88Å; L736-R738 VanDerWaalsContact C-N 3.28Å; L736-R738 PolarHBondContact O-N 3.42Å; R738-L740 VanDerWaalsContact C-N 3.34Å; R738-D741 IonicContact NH1-OD2 3.13Å; R738-D741 PolarHBondContact NH1-OD2 3.36Å; R738-D741 PolarHBondContact O-N 2.92Å
739	Y	97.5	Very high	95.9	Very high	77 Å²	77	40.6 Å²	40.6	30%	0.302	19%	0.185	S	C	.	.	H	α-helix	trans	-64.9	-37.2	171	-178.3	-91	0	0	0	112.2	L606 F725 I728 T729 F735 L736 D741 F742 A743	L606-Y739 HydrophobicContact CD2-CD2 4.29Å; F725-Y739 HydrophobicContact CE2-CD2 4.49Å; F725-Y739 HydrophobicContact CE2-CE2 4.03Å; F725-Y739 HydrophobicContact CZ-CE2 4.23Å; I728-Y739 HydrophobicContact CG2-CD2 3.78Å; I728-Y739 HydrophobicContact CG2-CG 4.34Å; T729-Y739 HydrophobicContact CG2-CD1 3.98Å; T729-Y739 HydrophobicContact CG2-CD2 4.13Å; T729-Y739 HydrophobicContact CG2-CE1 4.24Å; T729-Y739 HydrophobicContact CG2-CE2 4.36Å; T729-Y739 HydrophobicContact CG2-CG 3.93Å; F735-Y739 PolarHBondContact O-N 2.69Å; L736-Y739 PolarHBondContact O-N 3.08Å; Y739-D741 VanDerWaalsContact C-N 3.33Å; Y739-D741 PolarHBondContact O-N 3.19Å; Y739-F742 HydrophobicContact CD2-CD1 4.35Å; Y739-F742 HydrophobicContact CE2-CD1 4.1Å; Y739-F742 HydrophobicContact CE2-CE1 4.37Å; Y739-F742 WeakPolarHBondContact O-CB 3.37Å; Y739-F742 PolarHBondContact O-N 2.9Å; Y739-F742 VanDerWaalsContact O-N 3.14Å; Y739-A743 HydrophobicContact CE1-CB 4.34Å; Y739-A743 PolarHBondContact O-N 3.23Å
740	L	97.4	Very high	96	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-61.9	-39.1	176.3	178.1	63.6	0	0	0	112.2	L736 Y737 R738 F742 A743 R744 T749 S751 L752	L736-L740 PolarHBondContact O-N 3.14Å; Y737-L740 HydrophobicContact CD1-CD2 4.12Å; Y737-L740 HydrophobicContact CE1-CD2 4.48Å; Y737-L740 WeakPolarHBondContact O-CB 3.25Å; Y737-L740 PolarHBondContact O-N 3.18Å; R738-L740 VanDerWaalsContact C-N 3.34Å; L740-F742 PolarHBondContact O-N 2.84Å; L740-A743 CarbonylContact O-C 3.57Å; L740-A743 PolarHBondContact O-N 3.43Å; L740-A743 VanDerWaalsContact O-N 3.17Å; L740-R744 PolarHBondContact O-N 3.31Å; L740-T749 HydrophobicContact CD1-CG2 4.29Å; L740-T749 WeakPolarHBondContact CD1-O 3.44Å; L740-S751 WeakPolarHBondContact CD1-O 3.48Å; L740-L752 HydrophobicContact CB-CD2 3.83Å; L740-L752 HydrophobicContact CD1-CD2 4.48Å; L740-L752 HydrophobicContact CD2-CD2 4.02Å; L740-L752 HydrophobicContact CD2-CG 4.05Å; L740-L752 HydrophobicContact CG-CD2 4.34Å
741	D	97.1	Very high	96.1	Very high	57 Å²	57	42.3 Å²	42.3	31%	0.305	20%	0.197	S	C	.	.	H	α-helix	trans	-60	-36.8	174.8	-64.4	-26.6	0	0	0	112.1	Y737 R738 Y739 R744	Y737-D741 PolarHBondContact O-N 3.03Å; R738-D741 IonicContact NH1-OD2 3.13Å; R738-D741 PolarHBondContact NH1-OD2 3.36Å; R738-D741 PolarHBondContact O-N 2.92Å; Y739-D741 VanDerWaalsContact C-N 3.33Å; Y739-D741 PolarHBondContact O-N 3.19Å; D741-R744 IonicContact OD1-CZ 3.8Å; D741-R744 IonicContact OD1-NH1 3.89Å; D741-R744 PolarHBondContact OD1-NH1 3.02Å; D741-R744 IonicContact OD1-NH2 3.81Å; D741-R744 PolarHBondContact OD1-NH2 2.87Å
742	F	97.7	Very high	96.1	Very high	9 Å²	9	44.8 Å²	44.8	4%	0.039	21%	0.21	C	C	.	.	H	α-helix	trans	-68	-47.5	172.6	165.8	-101.9	0	0	0	111.1	L583 A602 L603 L606 F725 Y739 L740 R744 V745 T746	L583-F742 HydrophobicContact CD2-CE2 3.84Å; L583-F742 HydrophobicContact CD2-CZ 3.86Å; A602-F742 HydrophobicContact CB-CD2 4.06Å; L603-F742 HydrophobicContact CB-CE2 4.02Å; L603-F742 HydrophobicContact CD1-CE2 4.29Å; L606-F742 HydrophobicContact CB-CB 4.3Å; L606-F742 HydrophobicContact CD2-CB 3.89Å; L606-F742 HydrophobicContact CD2-CD1 3.98Å; L606-F742 HydrophobicContact CD2-CD2 4.31Å; L606-F742 HydrophobicContact CD2-CG 3.8Å; L606-F742 HydrophobicContact CG-CB 4.47Å; F725-F742 HydrophobicContact CE2-CE1 4.08Å; F725-F742 HydrophobicContact CE2-CZ 4.48Å; F725-F742 HydrophobicContact CZ-CE1 4.09Å; F725-F742 HydrophobicContact CZ-CZ 4.46Å; Y739-F742 HydrophobicContact CD2-CD1 4.35Å; Y739-F742 HydrophobicContact CE2-CD1 4.1Å; Y739-F742 HydrophobicContact CE2-CE1 4.37Å; Y739-F742 WeakPolarHBondContact O-CB 3.37Å; Y739-F742 PolarHBondContact O-N 2.9Å; Y739-F742 VanDerWaalsContact O-N 3.14Å; L740-F742 PolarHBondContact O-N 2.84Å; F742-R744 VanDerWaalsContact C-N 3.29Å; F742-R744 PolarHBondContact O-N 3.14Å; F742-V745 PolarHBondContact O-N 3.21Å; F742-T746 HydrophobicContact CD2-CG2 4Å; F742-T746 HydrophobicContact CE1-CG2 4.22Å; F742-T746 HydrophobicContact CE2-CG2 3.48Å; F742-T746 VanDerWaalsContact CE2-CG2 3.48Å; F742-T746 HydrophobicContact CZ-CG2 3.62Å; F742-T746 PolarHBondContact O-N 3.49Å; F742-T746 VanDerWaalsContact O-N 3.08Å; F742-T746 PolarHBondContact O-OG1 3.27Å
743	A	96.6	Very high	95.9	Very high	8 Å²	8	47.6 Å²	47.6	7%	0.066	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-33.7	177.9	0	0	0	0	0	113.1	Y739 L740 V745 T746 T747 G748	Y739-A743 HydrophobicContact CE1-CB 4.34Å; Y739-A743 PolarHBondContact O-N 3.23Å; L740-A743 CarbonylContact O-C 3.57Å; L740-A743 PolarHBondContact O-N 3.43Å; L740-A743 VanDerWaalsContact O-N 3.17Å; A743-V745 PolarHBondContact O-N 3.03Å; A743-T746 PolarHBondContact O-N 3.37Å; A743-T747 CarbonylContact O-C 3.55Å; A743-T747 WeakPolarHBondContact O-CA 3.29Å; A743-T747 PolarHBondContact O-N 3.25Å; A743-T747 PolarHBondContact O-OG1 2.69Å; A743-G748 PolarHBondContact O-N 3.45Å; A743-G748 VanDerWaalsContact O-N 3.1Å
744	R	96.6	Very high	95.9	Very high	100 Å²	100	44.5 Å²	44.5	38%	0.377	22%	0.222	S	C	.	.	H	α-helix	trans	-55.9	-39	172.9	-84.4	-172.4	-141.6	119.2	13.6	112.3	L740 D741 F742 G748 T749 T750	L740-R744 PolarHBondContact O-N 3.31Å; D741-R744 IonicContact OD1-CZ 3.8Å; D741-R744 IonicContact OD1-NH1 3.89Å; D741-R744 PolarHBondContact OD1-NH1 3.02Å; D741-R744 IonicContact OD1-NH2 3.81Å; D741-R744 PolarHBondContact OD1-NH2 2.87Å; F742-R744 VanDerWaalsContact C-N 3.29Å; F742-R744 PolarHBondContact O-N 3.14Å; R744-G748 WeakPolarHBondContact O-CA 3.45Å; R744-G748 PolarHBondContact O-N 3.39Å; R744-T749 WeakPolarHBondContact CA-O 3.17Å; R744-T749 WeakPolarHBondContact CG-O 3.36Å; R744-T749 PolarHBondContact N-O 2.82Å; R744-T750 HydrophobicContact CG-CG2 4.46Å
745	V	96.9	Very high	95.8	Very high	61 Å²	61	40 Å²	40	37%	0.37	21%	0.205	S	C	.	.	H	α-helix	trans	-81.7	-37.9	-178.8	-178.6	0	0	0	0	111.4	N599 A602 F742 A743 E1052	N599-V745 PolarHBondContact OD1-O 2.86Å; A602-V745 HydrophobicContact CB-CB 3.85Å; A602-V745 HydrophobicContact CB-CG1 3.88Å; A602-V745 HydrophobicContact CB-CG2 4.06Å; F742-V745 PolarHBondContact O-N 3.21Å; A743-V745 PolarHBondContact O-N 3.03Å; V745-E1052 WeakPolarHBondContact O-CG 3.21Å
746	T	94.9	Very high	95.8	Very high	20 Å²	20	41.2 Å²	41.2	12%	0.123	21%	0.21	C	C	.	.	H	α-helix	trans	-89.1	-32.9	-172.7	57.6	0	0	0	0	114.3	L583 F742 A743	L583-T746 HydrophobicContact CD2-CG2 4.15Å; F742-T746 HydrophobicContact CD2-CG2 4Å; F742-T746 HydrophobicContact CE1-CG2 4.22Å; F742-T746 HydrophobicContact CE2-CG2 3.48Å; F742-T746 VanDerWaalsContact CE2-CG2 3.48Å; F742-T746 HydrophobicContact CZ-CG2 3.62Å; F742-T746 PolarHBondContact O-N 3.49Å; F742-T746 VanDerWaalsContact O-N 3.08Å; F742-T746 PolarHBondContact O-OG1 3.27Å; A743-T746 PolarHBondContact O-N 3.37Å
747	T	94.6	Very high	95.8	Very high	27 Å²	27	40.9 Å²	40.9	17%	0.166	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.9	-3.7	-174.8	64.3	0	0	0	0	113.8	S454 A743 T749	S454-T747 WeakPolarHBondContact CB-O 3.46Å; A743-T747 CarbonylContact O-C 3.55Å; A743-T747 WeakPolarHBondContact O-CA 3.29Å; A743-T747 PolarHBondContact O-N 3.25Å; A743-T747 PolarHBondContact O-OG1 2.69Å; T747-T749 PolarHBondContact O-N 2.82Å; T747-T749 PolarHBondContact OG1-OG1 2.81Å; T747-T749 VanDerWaalsContact OG1-OG1 3.13Å
748	G	95.6	Very high	95.7	Very high	6 Å²	6	37.5 Å²	37.5	6%	0.062	20%	0.196	C	C	.	.			trans	77.5	2.5	178.7	0	0	0	0	0	114.9	A743 R744 R1050 E1052	A743-G748 PolarHBondContact O-N 3.45Å; A743-G748 VanDerWaalsContact O-N 3.1Å; R744-G748 WeakPolarHBondContact O-CA 3.45Å; R744-G748 PolarHBondContact O-N 3.39Å; G748-R1050 WeakPolarHBondContact O-CD 3.25Å; G748-R1050 PolarHBondContact O-NE 2.94Å; G748-E1052 WeakPolarHBondContact CA-OE2 3.24Å
749	T	94.9	Very high	95.6	Very high	17 Å²	17	35.8 Å²	35.8	10%	0.104	19%	0.189	C	C	.	.			trans	-72.4	125.8	-177.6	-54.1	0	0	0	0	110.9	E451 D452 L740 R744 T747 S751	E451-T749 WeakPolarHBondContact O-CG2 3.25Å; D452-T749 VanDerWaalsContact C-CG2 3.41Å; D452-T749 WeakPolarHBondContact O-CG2 3.5Å; L740-T749 HydrophobicContact CD1-CG2 4.29Å; L740-T749 WeakPolarHBondContact CD1-O 3.44Å; R744-T749 WeakPolarHBondContact CA-O 3.17Å; R744-T749 WeakPolarHBondContact CG-O 3.36Å; R744-T749 PolarHBondContact N-O 2.82Å; T747-T749 PolarHBondContact O-N 2.82Å; T747-T749 PolarHBondContact OG1-OG1 2.81Å; T747-T749 VanDerWaalsContact OG1-OG1 3.13Å; T749-S751 WeakPolarHBondContact CG2-O 3.36Å
750	T	93.8	Very high	95.6	Very high	47 Å²	47	32.1 Å²	32.1	29%	0.288	18%	0.175	S	C	.	.			trans	-106.3	-20.5	-169.2	51.6	0	0	0	0	114.4	E451 R744	E451-T750 WeakPolarHBondContact CA-OG1 3.28Å; E451-T750 VanDerWaalsContact CB-OG1 3.3Å; E451-T750 WeakPolarHBondContact CB-OG1 3.48Å; E451-T750 PolarHBondContact O-N 2.99Å; E451-T750 PolarHBondContact O-OG1 3.02Å; E451-T750 VanDerWaalsContact O-OG1 3.09Å; E451-T750 WeakPolarHBondContact OE2-CB 3.44Å; E451-T750 PolarHBondContact OE2-OG1 3.45Å; R744-T750 HydrophobicContact CG-CG2 4.46Å
751	S	96.1	Very high	95.5	Very high	44 Å²	44	33.8 Å²	33.8	31%	0.308	18%	0.184	S	C	.	.	S	Bend	trans	-125.3	164.9	175.1	69.7	0	0	0	0	112.8	E451 D452 L740 T749	E451-S751 WeakPolarHBondContact CB-OG 3.4Å; E451-S751 PolarHBondContact O-N 3.38Å; E451-S751 PolarHBondContact O-OG 2.87Å; D452-S751 WeakPolarHBondContact CA-OG 3.37Å; D452-S751 WeakPolarHBondContact CB-OG 3.46Å; D452-S751 PolarHBondContact N-OG 2.84Å; D452-S751 VanDerWaalsContact N-OG 3.09Å; L740-S751 WeakPolarHBondContact CD1-O 3.48Å; T749-S751 WeakPolarHBondContact CG2-O 3.36Å
752	L	93.7	Very high	95.5	Very high	56 Å²	56	33 Å²	33	29%	0.293	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-77.7	137.5	174.6	-64.9	177.5	0	0	0	110.1	L736 Y737 L740	L736-L752 HydrophobicContact CB-CD1 3.97Å; L736-L752 HydrophobicContact CB-CD2 4.08Å; Y737-L752 HydrophobicContact CD1-CD1 4.1Å; Y737-L752 HydrophobicContact CD1-CG 4.39Å; Y737-L752 HydrophobicContact CE1-CD1 3.87Å; Y737-L752 HydrophobicContact CE1-CG 4.23Å; L740-L752 HydrophobicContact CB-CD2 3.83Å; L740-L752 HydrophobicContact CD1-CD2 4.48Å; L740-L752 HydrophobicContact CD2-CD2 4.02Å; L740-L752 HydrophobicContact CD2-CG 4.05Å; L740-L752 HydrophobicContact CG-CD2 4.34Å
753	T	92.1	Very high	95.4	Very high	60 Å²	60	32.6 Å²	32.6	37%	0.368	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-57	139.3	167.7	-44.5	0	0	0	0	110.3	R755 D757	T753-R755 PolarHBondContact O-N 2.91Å; T753-D757 HydrophobicContact CG2-CB 3.96Å; T753-D757 VanDerWaalsContact CG2-OD2 3.32Å; T753-D757 WeakPolarHBondContact CG2-OD2 3.46Å
754	P	94.4	Very high	95.3	Very high	47 Å²	47	32.2 Å²	32.2	31%	0.305	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-49.5	140.3	175.8	-29.7	35.1	0	0	0	112.6	D452 W756 D757 K758	D452-P754 WeakPolarHBondContact OD2-CD 3.17Å; P754-W756 VanDerWaalsContact C-N 3.28Å; P754-W756 HydrophobicContact CB-CG 4.43Å; P754-W756 PolarHBondContact O-N 3.25Å; P754-D757 HydrophobicContact CB-CB 4.39Å; P754-D757 WeakPolarHBondContact O-CB 3.26Å; P754-D757 PolarHBondContact O-N 3.4Å; P754-K758 PolarHBondContact O-N 2.93Å
755	R	94.4	Very high	95.1	Very high	20 Å²	20	32.5 Å²	32.5	8%	0.075	18%	0.181	C	C	.	.	H	α-helix	trans	-57.3	-42.7	-175.6	-173.6	69.9	-169	-170.1	8.1	112	C496 M497 E499 L502 T753 D757 K758 C759	C496-R755 PolarHBondContact O-NE 2.87Å; C496-R755 PolarHBondContact O-NH2 3.34Å; M497-R755 HydrophobicContact SD-CB 4.47Å; M497-R755 HydrophobicContact SD-CG 4.07Å; E499-R755 HydrophobicContact CG-CG 4.15Å; L502-R755 VanDerWaalsContact CD1-CZ 3.45Å; T753-R755 PolarHBondContact O-N 2.91Å; R755-D757 VanDerWaalsContact C-N 3.27Å; R755-D757 PolarHBondContact O-N 3.24Å; R755-K758 VanDerWaalsContact NH1-NZ 3.14Å; R755-K758 PolarHBondContact O-N 3.13Å; R755-C759 WeakPolarHBondContact O-CB 3.41Å; R755-C759 PolarHBondContact O-N 2.89Å; R755-C759 PolarHBondContact O-SG 3.47Å
756	W	96.8	Very high	94.9	Very high	26 Å²	26	30.3 Å²	30.3	10%	0.098	17%	0.168	C	C	.	.	H	α-helix	trans	-57.7	-41.1	178.8	71.5	-99.1	0	0	0	111.9	D467 I468 K471 M497 P754 C759 V760	D467-W756 HydrophobicContact CB-CZ3 4.34Å; I468-W756 HydrophobicContact CG1-CH2 3.72Å; I468-W756 HydrophobicContact CG1-CZ2 4.42Å; I468-W756 HydrophobicContact CG1-CZ3 4.33Å; K471-W756 HydrophobicContact CB-CE3 3.9Å; K471-W756 HydrophobicContact CB-CZ3 4.19Å; K471-W756 HydrophobicContact CD-CB 4.35Å; K471-W756 HydrophobicContact CD-CD2 3.65Å; K471-W756 HydrophobicContact CD-CE3 3.53Å; K471-W756 HydrophobicContact CD-CG 4.01Å; K471-W756 HydrophobicContact CD-CZ3 4.15Å; K471-W756 HydrophobicContact CG-CB 4.46Å; K471-W756 HydrophobicContact CG-CD2 4.26Å; K471-W756 HydrophobicContact CG-CE3 3.79Å; M497-W756 HydrophobicContact CE-CB 3.94Å; M497-W756 WeakPolarHBondContact SD-CA 3.39Å; M497-W756 HydrophobicContact SD-CB 3.9Å; P754-W756 VanDerWaalsContact C-N 3.28Å; P754-W756 HydrophobicContact CB-CG 4.43Å; P754-W756 PolarHBondContact O-N 3.25Å; W756-C759 PolarHBondContact O-N 3.41Å; W756-C759 VanDerWaalsContact O-N 3.17Å; W756-V760 HydrophobicContact CE3-CG2 4.09Å; W756-V760 WeakPolarHBondContact O-CG2 3.44Å; W756-V760 PolarHBondContact O-N 3.42Å
757	D	95.6	Very high	94.9	Very high	17 Å²	17	29.5 Å²	29.5	9%	0.091	16%	0.163	C	C	.	.	H	α-helix	trans	-69.8	-44.8	-175.6	-174.7	12.5	0	0	0	110.5	T753 P754 R755 C759 V760 N761	T753-D757 HydrophobicContact CG2-CB 3.96Å; T753-D757 VanDerWaalsContact CG2-OD2 3.32Å; T753-D757 WeakPolarHBondContact CG2-OD2 3.46Å; P754-D757 HydrophobicContact CB-CB 4.39Å; P754-D757 WeakPolarHBondContact O-CB 3.26Å; P754-D757 PolarHBondContact O-N 3.4Å; R755-D757 VanDerWaalsContact C-N 3.27Å; R755-D757 PolarHBondContact O-N 3.24Å; D757-C759 VanDerWaalsContact C-N 3.27Å; D757-C759 PolarHBondContact O-N 3Å; D757-V760 PolarHBondContact O-N 3.05Å; D757-N761 WeakPolarHBondContact O-CB 3.16Å; D757-N761 PolarHBondContact O-N 3.38Å; D757-N761 PolarHBondContact O-ND2 3.33Å; D757-N761 PolarHBondContact OD1-ND2 2.99Å
758	K	94.5	Very high	94.8	Very high	46 Å²	46	30 Å²	30	20%	0.2	17%	0.166	C	C	.	.	H	α-helix	trans	-57	-40.5	169.8	177.7	-176.4	170.9	-165.6	0	112.5	T729 P754 R755 Y762	T729-K758 VanDerWaalsContact O-CE 3.23Å; T729-K758 WeakPolarHBondContact O-CE 3.45Å; T729-K758 PolarHBondContact O-NZ 3.46Å; P754-K758 PolarHBondContact O-N 2.93Å; R755-K758 VanDerWaalsContact NH1-NZ 3.14Å; R755-K758 PolarHBondContact O-N 3.13Å; K758-Y762 WeakPolarHBondContact O-CB 3.38Å; K758-Y762 PolarHBondContact O-N 3.13Å
759	C	97.2	Very high	94.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-72	-40.7	-179.4	-66.8	0	0	0	0	112.6	Y493 C496 M497 R755 W756 D757 Y762 V763	Y493-C759 HydrophobicContact CD2-CB 3.77Å; Y493-C759 HydrophobicContact CE2-CB 3.8Å; C496-C759 HydrophobicContact CB-CB 3.64Å; C496-C759 WeakPolarHBondContact CB-SG 3.35Å; C496-C759 PolarHBondContact O-SG 2.82Å; C496-C759 VanDerWaalsContact O-SG 3.35Å; C496-C759 WeakPolarHBondContact SG-CA 3.1Å; C496-C759 WeakPolarHBondContact SG-CB 3.2Å; C496-C759 CovalentContact SG-SG 2.03Å; C496-C759 PolarHBondContact SG-SG 3.24Å; M497-C759 HydrophobicContact CG-CB 4.4Å; M497-C759 HydrophobicContact SD-CB 4.14Å; R755-C759 WeakPolarHBondContact O-CB 3.41Å; R755-C759 PolarHBondContact O-N 2.89Å; R755-C759 PolarHBondContact O-SG 3.47Å; W756-C759 PolarHBondContact O-N 3.41Å; W756-C759 VanDerWaalsContact O-N 3.17Å; D757-C759 VanDerWaalsContact C-N 3.27Å; D757-C759 PolarHBondContact O-N 3Å; C759-Y762 PolarHBondContact O-N 3.18Å; C759-V763 VanDerWaalsContact O-CG2 3.23Å; C759-V763 WeakPolarHBondContact O-CG2 3.4Å; C759-V763 PolarHBondContact O-N 2.91Å
760	V	97.8	Very high	94.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.7	-54	171.5	170	0	0	0	0	109.7	D467 L470 K471 L474 Y493 W756 D757 Y762 V763 E764	D467-V760 HydrophobicContact CB-CG1 4.08Å; L470-V760 HydrophobicContact CB-CG1 3.69Å; L470-V760 HydrophobicContact CD1-CG1 4.11Å; K471-V760 HydrophobicContact CB-CG2 3.81Å; K471-V760 HydrophobicContact CG-CG2 4.38Å; L474-V760 HydrophobicContact CD1-CG2 4.2Å; Y493-V760 HydrophobicContact CD2-CG2 4.39Å; Y493-V760 HydrophobicContact CE2-CG2 3.86Å; W756-V760 HydrophobicContact CE3-CG2 4.09Å; W756-V760 WeakPolarHBondContact O-CG2 3.44Å; W756-V760 PolarHBondContact O-N 3.42Å; D757-V760 PolarHBondContact O-N 3.05Å; V760-Y762 PolarHBondContact O-N 3.2Å; V760-V763 PolarHBondContact O-N 3.26Å; V760-V763 VanDerWaalsContact O-N 3.12Å; V760-E764 WeakPolarHBondContact O-CB 3.4Å; V760-E764 PolarHBondContact O-N 3.26Å
761	N	95.3	Very high	94.7	Very high	42 Å²	42	28.7 Å²	28.7	23%	0.225	15%	0.153	C	C	.	.	H	α-helix	trans	-56.9	-38.6	178.9	-84	-63.6	0	0	0	112.2	R463 D467 D757 N765	R463-N761 PolarHBondContact NH2-OD1 3.47Å; D467-N761 PolarHBondContact OD2-ND2 3.07Å; D757-N761 WeakPolarHBondContact O-CB 3.16Å; D757-N761 PolarHBondContact O-N 3.38Å; D757-N761 PolarHBondContact O-ND2 3.33Å; D757-N761 PolarHBondContact OD1-ND2 2.99Å; N761-N765 WeakPolarHBondContact O-CB 3.44Å; N761-N765 PolarHBondContact O-N 3.35Å; N761-N765 VanDerWaalsContact O-N 3.12Å; N761-N765 PolarHBondContact O-ND2 2.83Å
762	Y	95.4	Very high	94.7	Very high	40 Å²	40	26.6 Å²	26.6	16%	0.157	14%	0.138	C	C	.	.	H	α-helix	trans	-65.9	-48.3	176.1	-177.2	-99.9	0	0	0	112.4	L492 K758 C759 V760 S766 Y855 V859 T862	L492-Y762 HydrophobicContact CD1-CE1 4.02Å; L492-Y762 HydrophobicContact CD2-CD1 4.25Å; L492-Y762 HydrophobicContact CD2-CE1 3.89Å; L492-Y762 HydrophobicContact CG-CD1 4.33Å; L492-Y762 HydrophobicContact CG-CE1 4.13Å; K758-Y762 WeakPolarHBondContact O-CB 3.38Å; K758-Y762 PolarHBondContact O-N 3.13Å; C759-Y762 PolarHBondContact O-N 3.18Å; V760-Y762 PolarHBondContact O-N 3.2Å; Y762-S766 WeakPolarHBondContact O-CB 3.34Å; Y762-S766 PolarHBondContact O-N 2.94Å; Y762-S766 VanDerWaalsContact O-N 3.11Å; Y762-S766 PolarHBondContact O-OG 3.26Å; Y762-Y855 AromaticContact CD1-CE2 3.93Å; Y762-Y855 HydrophobicContact CD1-CE2 3.93Å; Y762-Y855 HydrophobicContact CE1-CE2 4.11Å; Y762-V859 HydrophobicContact CE1-CG2 3.86Å; Y762-V859 HydrophobicContact CE2-CG1 4.33Å; Y762-V859 HydrophobicContact CE2-CG2 4.09Å; Y762-V859 VanDerWaalsContact OH-CA 3.24Å; Y762-V859 WeakPolarHBondContact OH-CA 3.47Å; Y762-T862 WeakPolarHBondContact OH-CB 3.29Å
763	V	96.6	Very high	94.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.5	-43.9	-178.4	175.4	0	0	0	0	110.7	L474 A489 L492 C759 V760 S766 L767 T771	L474-V763 HydrophobicContact CD1-CB 4.44Å; L474-V763 HydrophobicContact CD1-CG1 4.3Å; L474-V763 HydrophobicContact CD2-CG1 4.17Å; A489-V763 HydrophobicContact CB-CG1 3.86Å; L492-V763 HydrophobicContact CB-CG2 4.12Å; L492-V763 HydrophobicContact CD2-CG2 4.08Å; L492-V763 HydrophobicContact CG-CG2 3.9Å; C759-V763 VanDerWaalsContact O-CG2 3.23Å; C759-V763 WeakPolarHBondContact O-CG2 3.4Å; C759-V763 PolarHBondContact O-N 2.91Å; V760-V763 PolarHBondContact O-N 3.26Å; V760-V763 VanDerWaalsContact O-N 3.12Å; V763-S766 PolarHBondContact O-N 2.73Å; V763-L767 HydrophobicContact CG1-CD1 4.42Å; V763-L767 PolarHBondContact O-N 3.37Å; V763-T771 HydrophobicContact CG1-CG2 3.74Å
764	E	94.8	Very high	94.7	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-61.9	-47.8	178.2	179.3	-175.9	167	0	0	112.7	R463 L470 V760 S766 V768 N886 T888	R463-E764 IonicContact CZ-OE1 3.35Å; R463-E764 IonicContact CZ-OE2 2.61Å; R463-E764 VanDerWaalsContact CZ-OE2 3.26Å; R463-E764 VanDerWaalsContact NH1-CD 3.33Å; R463-E764 IonicContact NH1-OE1 3.45Å; R463-E764 PolarHBondContact NH1-OE1 2.88Å; R463-E764 IonicContact NH1-OE2 3.2Å; R463-E764 PolarHBondContact NH1-OE2 3.25Å; R463-E764 IonicContact NH2-OE1 3.91Å; R463-E764 PolarHBondContact NH2-OE1 2.88Å; R463-E764 IonicContact NH2-OE2 3.07Å; R463-E764 PolarHBondContact NH2-OE2 3.2Å; L470-E764 HydrophobicContact CD1-CB 4.35Å; L470-E764 HydrophobicContact CD1-CG 4.23Å; L470-E764 VanDerWaalsContact CD1-OE2 3.28Å; L470-E764 WeakPolarHBondContact CD1-OE2 3.48Å; V760-E764 WeakPolarHBondContact O-CB 3.4Å; V760-E764 PolarHBondContact O-N 3.26Å; E764-S766 PolarHBondContact O-N 3.01Å; E764-V768 WeakPolarHBondContact O-CA 3.46Å; E764-V768 WeakPolarHBondContact O-CG2 3.39Å; E764-V768 PolarHBondContact O-N 3.34Å; E764-N886 WeakPolarHBondContact CG-ND2 3.45Å; E764-N886 PolarHBondContact OE1-ND2 2.65Å; E764-N886 VanDerWaalsContact OE1-ND2 3.12Å; E764-T888 WeakPolarHBondContact CG-OG1 3.49Å; E764-T888 WeakPolarHBondContact OE1-CB 3.18Å; E764-T888 PolarHBondContact OE1-OG1 3.05Å
765	N	92.3	Very high	94.8	Very high	105 Å²	105	21.9 Å²	21.9	56%	0.561	11%	0.105	S	C	*	.	H	α-helix	trans	-69.6	-18.5	179	-74.5	-55.5	0	0	0	113.1	N761	N761-N765 WeakPolarHBondContact O-CB 3.44Å; N761-N765 PolarHBondContact O-N 3.35Å; N761-N765 VanDerWaalsContact O-N 3.12Å; N761-N765 PolarHBondContact O-ND2 2.83Å
766	S	92.8	Very high	94.8	Very high	15 Å²	15	21.2 Å²	21.2	11%	0.105	10%	0.103	C	C	.	.	H	α-helix	trans	-94.9	-43.4	-177.4	-64.3	0	0	0	0	113	Y762 V763 E764	Y762-S766 WeakPolarHBondContact O-CB 3.34Å; Y762-S766 PolarHBondContact O-N 2.94Å; Y762-S766 VanDerWaalsContact O-N 3.11Å; Y762-S766 PolarHBondContact O-OG 3.26Å; V763-S766 PolarHBondContact O-N 2.73Å; E764-S766 PolarHBondContact O-N 3.01Å
767	L	94.1	Very high	94.5	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.016	12%	0.121	C	C	.	.	S	Bend	trans	-120.3	57.4	-173.9	-53.8	178.5	0	0	0	109	A489 L492 V763 Y769 A770 T771 L845 L848 F850	A489-L767 HydrophobicContact CB-CD1 3.89Å; L492-L767 HydrophobicContact CD2-CD1 3.81Å; L492-L767 HydrophobicContact CD2-CG 4.13Å; V763-L767 HydrophobicContact CG1-CD1 4.42Å; V763-L767 PolarHBondContact O-N 3.37Å; L767-Y769 VanDerWaalsContact C-N 3.34Å; L767-Y769 PolarHBondContact O-N 3.37Å; L767-A770 HydrophobicContact CB-CB 4.23Å; L767-A770 PolarHBondContact O-N 2.65Å; L767-T771 PolarHBondContact O-N 3.33Å; L767-T771 PolarHBondContact O-OG1 3.5Å; L767-L845 HydrophobicContact CD2-CD1 4.2Å; L767-L845 HydrophobicContact CD2-CD2 3.9Å; L767-L848 HydrophobicContact CD2-CD1 3.95Å; L767-F850 HydrophobicContact CD1-CE2 3.83Å; L767-F850 HydrophobicContact CD1-CZ 4.49Å; L767-F850 HydrophobicContact CD2-CE2 4.19Å; L767-F850 HydrophobicContact CD2-CZ 4.23Å
768	V	92.9	Very high	94.4	Very high	37 Å²	37	30.4 Å²	30.4	22%	0.224	15%	0.147	C	C	.	.	H	α-helix	trans	-50.5	-49.3	-170.9	165.6	0	0	0	0	112.4	E764 T771 G772 N886	E764-V768 WeakPolarHBondContact O-CA 3.46Å; E764-V768 WeakPolarHBondContact O-CG2 3.39Å; E764-V768 PolarHBondContact O-N 3.34Å; V768-T771 PolarHBondContact O-OG1 3.08Å; V768-G772 PolarHBondContact O-N 2.93Å; V768-N886 HydrophobicContact CB-CB 4.38Å; V768-N886 VanDerWaalsContact CG1-CA 3.45Å; V768-N886 HydrophobicContact CG1-CB 3.36Å; V768-N886 HydrophobicContact CG2-CB 4.33Å
769	Y	93.3	Very high	94.3	Very high	41 Å²	41	30.9 Å²	30.9	16%	0.161	15%	0.15	C	C	.	.	H	α-helix	trans	-79.1	-30.8	-175.3	-53.4	-54.9	0	0	0	113.2	L767 R773 F834 I835 L841 F884	L767-Y769 VanDerWaalsContact C-N 3.34Å; L767-Y769 PolarHBondContact O-N 3.37Å; Y769-R773 VanDerWaalsContact O-CB 3.3Å; Y769-R773 WeakPolarHBondContact O-CB 3.24Å; Y769-R773 PolarHBondContact O-N 2.93Å; Y769-F834 AromaticContact CD1-CE2 3.84Å; Y769-F834 HydrophobicContact CD1-CE2 3.84Å; Y769-F834 HydrophobicContact CD1-CZ 4.16Å; Y769-F834 HydrophobicContact CD2-CE2 4.24Å; Y769-F834 AromaticContact CE1-CE2 3.82Å; Y769-F834 HydrophobicContact CE1-CE2 3.82Å; Y769-F834 AromaticContact CE1-CZ 3.7Å; Y769-F834 HydrophobicContact CE1-CZ 3.7Å; Y769-F834 HydrophobicContact CE2-CE2 4.21Å; Y769-F834 HydrophobicContact CE2-CZ 4.46Å; Y769-F834 HydrophobicContact CG-CE2 4.07Å; Y769-F834 AromaticContact CZ-CZ 3.87Å; Y769-I835 HydrophobicContact CD1-CG2 3.71Å; Y769-I835 HydrophobicContact CG-CG2 4.14Å; Y769-L841 VanDerWaalsContact CB-CD2 3.42Å; Y769-F884 WeakPolarHBondContact OH-CB 3.36Å; Y769-F884 WeakPolarHBondContact OH-CD1 3.38Å
770	A	93.9	Very high	94	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.008	15%	0.154	C	C	.	.	H	α-helix	trans	-68.2	-44.2	175.8	0	0	0	0	0	111.7	A485 L767 L774 L845	A485-A770 HydrophobicContact CB-CB 4.08Å; L767-A770 HydrophobicContact CB-CB 4.23Å; L767-A770 PolarHBondContact O-N 2.65Å; A770-L774 PolarHBondContact O-N 3.3Å; A770-L774 VanDerWaalsContact O-N 3.1Å; A770-L845 HydrophobicContact CB-CD1 4.05Å
771	T	94.6	Very high	93.5	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-70.4	-37.3	174.7	51.3	0	0	0	0	112.2	A489 V763 L767 V768 L774 F775	A489-T771 HydrophobicContact CB-CG2 4.49Å; V763-T771 HydrophobicContact CG1-CG2 3.74Å; L767-T771 PolarHBondContact O-N 3.33Å; L767-T771 PolarHBondContact O-OG1 3.5Å; V768-T771 PolarHBondContact O-OG1 3.08Å; T771-L774 WeakPolarHBondContact O-CB 3.44Å; T771-L774 PolarHBondContact O-N 3.46Å; T771-F775 WeakPolarHBondContact O-CB 3.41Å; T771-F775 PolarHBondContact O-N 2.86Å
772	G	95.2	Very high	93	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-57.7	-48.9	170.8	0	0	0	0	0	112.8	V768 F775 V776	V768-G772 PolarHBondContact O-N 2.93Å; G772-F775 PolarHBondContact O-N 3.49Å; G772-V776 WeakPolarHBondContact O-CB 3.3Å; G772-V776 VanDerWaalsContact O-CG2 3.26Å; G772-V776 WeakPolarHBondContact O-CG2 3.4Å; G772-V776 PolarHBondContact O-N 2.78Å
773	R	94.1	Very high	92.3	Very high	43 Å²	43	42.2 Å²	42.2	16%	0.162	21%	0.205	C	C	.	.	H	α-helix	trans	-57.7	-49.4	175.6	174	59	159.4	161.4	-6.1	111.6	Y769 F775 V776 D777 I835 L836 D838 L841	Y769-R773 VanDerWaalsContact O-CB 3.3Å; Y769-R773 WeakPolarHBondContact O-CB 3.24Å; Y769-R773 PolarHBondContact O-N 2.93Å; R773-F775 VanDerWaalsContact C-N 3.32Å; R773-F775 PolarHBondContact O-N 2.95Å; R773-V776 PolarHBondContact O-N 3.46Å; R773-D777 WeakPolarHBondContact CD-OD2 2.96Å; R773-D777 IonicContact CZ-OD1 3.88Å; R773-D777 IonicContact CZ-OD2 3.79Å; R773-D777 IonicContact NE-OD1 3.34Å; R773-D777 IonicContact NE-OD2 2.91Å; R773-D777 PolarHBondContact NE-OD2 2.93Å; R773-D777 VanDerWaalsContact NH1-CG 3.33Å; R773-D777 IonicContact NH1-OD1 3.83Å; R773-D777 PolarHBondContact NH1-OD1 3.46Å; R773-D777 IonicContact NH1-OD2 3.27Å; R773-D777 PolarHBondContact NH1-OD2 3.31Å; R773-D777 WeakPolarHBondContact O-CB 3.32Å; R773-D777 VanDerWaalsContact O-CG 3.22Å; R773-D777 PolarHBondContact O-N 3.39Å; R773-D777 VanDerWaalsContact O-N 3.07Å; R773-I835 WeakPolarHBondContact CD-O 3.45Å; R773-L836 VanDerWaalsContact NH1-CD2 3.33Å; R773-D838 IonicContact CZ-OD1 3.4Å; R773-D838 IonicContact NE-OD1 3.45Å; R773-D838 IonicContact NH2-OD1 2.74Å; R773-D838 PolarHBondContact NH2-OD1 2.95Å; R773-D838 VanDerWaalsContact NH2-OD1 3.08Å; R773-L841 HydrophobicContact CB-CD1 3.78Å; R773-L841 HydrophobicContact CG-CD1 3.81Å
774	L	93.3	Very high	91.9	Very high	20 Å²	20	43.9 Å²	43.9	11%	0.105	21%	0.212	C	C	.	.	H	α-helix	trans	-52.5	-48.2	175	-87	177	0	0	0	112.8	L473 L474 V486 A770 T771	L473-L774 HydrophobicContact CD1-CB 4.42Å; L474-L774 HydrophobicContact CD2-CD1 4.14Å; V486-L774 HydrophobicContact CB-CD2 4.33Å; V486-L774 HydrophobicContact CB-CG 4.4Å; V486-L774 HydrophobicContact CG1-CD1 3.93Å; V486-L774 HydrophobicContact CG1-CD2 3.4Å; V486-L774 HydrophobicContact CG1-CG 3.78Å; V486-L774 HydrophobicContact CG2-CD2 3.99Å; V486-L774 HydrophobicContact CG2-CG 3.87Å; A770-L774 PolarHBondContact O-N 3.3Å; A770-L774 VanDerWaalsContact O-N 3.1Å; T771-L774 WeakPolarHBondContact O-CB 3.44Å; T771-L774 PolarHBondContact O-N 3.46Å
775	F	95.2	Very high	91.5	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-70.1	-46.2	-176.8	-177.8	-91.8	0	0	0	112.1	V466 R469 L470 T771 G772 R773 D777 K778 H779 T888 A905	V466-F775 HydrophobicContact CB-CE2 4.46Å; V466-F775 HydrophobicContact CG1-CD2 4.31Å; V466-F775 HydrophobicContact CG1-CE2 3.85Å; V466-F775 HydrophobicContact CG1-CZ 4.33Å; V466-F775 HydrophobicContact CG2-CE2 4.33Å; V466-F775 HydrophobicContact CG2-CZ 4.24Å; R469-F775 HydrophobicContact CB-CE2 4.37Å; L470-F775 HydrophobicContact CD2-CB 4.05Å; L470-F775 HydrophobicContact CD2-CD2 4.26Å; L470-F775 HydrophobicContact CG-CD2 4.34Å; T771-F775 WeakPolarHBondContact O-CB 3.41Å; T771-F775 PolarHBondContact O-N 2.86Å; G772-F775 PolarHBondContact O-N 3.49Å; R773-F775 VanDerWaalsContact C-N 3.32Å; R773-F775 PolarHBondContact O-N 2.95Å; F775-D777 PolarHBondContact O-N 3.19Å; F775-K778 PolarHBondContact O-N 3.48Å; F775-H779 HydrophobicContact CD1-CB 4.44Å; F775-H779 HydrophobicContact CD2-CB 4.33Å; F775-H779 AromaticContact CD2-CD2 3.92Å; F775-H779 HydrophobicContact CE1-CB 4.16Å; F775-H779 HydrophobicContact CE2-CB 4.04Å; F775-H779 HydrophobicContact CZ-CB 3.95Å; F775-H779 WeakPolarHBondContact O-CB 3.37Å; F775-H779 PolarHBondContact O-N 2.84Å; F775-T888 HydrophobicContact CB-CG2 3.36Å; F775-T888 HydrophobicContact CD1-CG2 3.89Å; F775-T888 HydrophobicContact CD2-CG2 3.97Å; F775-T888 HydrophobicContact CG-CG2 3.47Å; F775-T888 VanDerWaalsContact CG-CG2 3.47Å; F775-A905 HydrophobicContact CE1-CB 4.28Å
776	V	94.4	Very high	91.3	Very high	7 Å²	7	45.3 Å²	45.3	4%	0.042	22%	0.218	C	C	.	.	H	α-helix	trans	-61	-45.1	-178.1	167	0	0	0	0	110.8	G772 R773 K778 F780 Y831 I835 P887 A905	G772-V776 WeakPolarHBondContact O-CB 3.3Å; G772-V776 VanDerWaalsContact O-CG2 3.26Å; G772-V776 WeakPolarHBondContact O-CG2 3.4Å; G772-V776 PolarHBondContact O-N 2.78Å; R773-V776 PolarHBondContact O-N 3.46Å; V776-K778 PolarHBondContact O-N 3.43Å; V776-K778 VanDerWaalsContact O-N 3.07Å; V776-F780 HydrophobicContact CB-CB 4.37Å; V776-F780 HydrophobicContact CG1-CB 4.19Å; V776-F780 HydrophobicContact CG2-CB 4.43Å; V776-F780 PolarHBondContact O-N 3.32Å; V776-Y831 HydrophobicContact CB-CD1 4.27Å; V776-Y831 HydrophobicContact CG1-CD1 3.48Å; V776-Y831 VanDerWaalsContact CG1-CD1 3.48Å; V776-Y831 HydrophobicContact CG1-CD2 4.41Å; V776-Y831 HydrophobicContact CG1-CE1 3.44Å; V776-Y831 VanDerWaalsContact CG1-CE1 3.44Å; V776-Y831 HydrophobicContact CG1-CE2 4.39Å; V776-Y831 HydrophobicContact CG1-CG 3.99Å; V776-Y831 HydrophobicContact CG2-CD1 3.69Å; V776-Y831 HydrophobicContact CG2-CE1 4.5Å; V776-Y831 HydrophobicContact CG2-CG 3.88Å; V776-I835 HydrophobicContact CG2-CD1 4.38Å; V776-P887 HydrophobicContact CG2-CB 3.97Å; V776-A905 HydrophobicContact CG2-CB 4.37Å
777	D	92.1	Very high	91.1	Very high	86 Å²	86	44.7 Å²	44.7	46%	0.46	21%	0.213	S	C	.	.	H	α-helix	trans	-60.5	-22.6	-179	-73.1	-5.5	0	0	0	113.9	R773 F775	R773-D777 WeakPolarHBondContact CD-OD2 2.96Å; R773-D777 IonicContact CZ-OD1 3.88Å; R773-D777 IonicContact CZ-OD2 3.79Å; R773-D777 IonicContact NE-OD1 3.34Å; R773-D777 IonicContact NE-OD2 2.91Å; R773-D777 PolarHBondContact NE-OD2 2.93Å; R773-D777 VanDerWaalsContact NH1-CG 3.33Å; R773-D777 IonicContact NH1-OD1 3.83Å; R773-D777 PolarHBondContact NH1-OD1 3.46Å; R773-D777 IonicContact NH1-OD2 3.27Å; R773-D777 PolarHBondContact NH1-OD2 3.31Å; R773-D777 WeakPolarHBondContact O-CB 3.32Å; R773-D777 VanDerWaalsContact O-CG 3.22Å; R773-D777 PolarHBondContact O-N 3.39Å; R773-D777 VanDerWaalsContact O-N 3.07Å; F775-D777 PolarHBondContact O-N 3.19Å
778	K	92.8	Very high	91.2	Very high	149 Å²	149	44.5 Å²	44.5	65%	0.648	21%	0.213	S	C	*	.	H	α-helix	trans	-113.5	-31.6	-174	-65.8	-64.2	-174.5	-174.8	0	114.4	L473 F775 V776	L473-K778 HydrophobicContact CD1-CB 4.42Å; L473-K778 HydrophobicContact CD2-CB 4.13Å; L473-K778 HydrophobicContact CD2-CG 3.76Å; F775-K778 PolarHBondContact O-N 3.48Å; V776-K778 PolarHBondContact O-N 3.43Å; V776-K778 VanDerWaalsContact O-N 3.07Å
779	H	92.6	Very high	91.1	Very high	56 Å²	56	47.7 Å²	47.7	26%	0.259	23%	0.225	S	C	.	.	H	α-helix	trans	-125.1	-3	-167.6	-62.9	-60.3	0	0	0	114.6	F775	F775-H779 HydrophobicContact CD1-CB 4.44Å; F775-H779 HydrophobicContact CD2-CB 4.33Å; F775-H779 AromaticContact CD2-CD2 3.92Å; F775-H779 HydrophobicContact CE1-CB 4.16Å; F775-H779 HydrophobicContact CE2-CB 4.04Å; F775-H779 HydrophobicContact CZ-CB 3.95Å; F775-H779 WeakPolarHBondContact O-CB 3.37Å; F775-H779 PolarHBondContact O-N 2.84Å
780	F	91.3	Very high	91	Very high	21 Å²	21	48.7 Å²	48.7	9%	0.092	23%	0.231	C	C	.	.			trans	-110.6	138.3	177.1	-167.3	-97.6	0	0	0	111.6	V776 K784 K785 Y831 A905 L908	V776-F780 HydrophobicContact CB-CB 4.37Å; V776-F780 HydrophobicContact CG1-CB 4.19Å; V776-F780 HydrophobicContact CG2-CB 4.43Å; V776-F780 PolarHBondContact O-N 3.32Å; F780-K784 HydrophobicContact CD2-CD 4.3Å; F780-K784 HydrophobicContact CE2-CB 4.23Å; F780-K784 HydrophobicContact CE2-CD 3.99Å; F780-K784 HydrophobicContact CZ-CB 4.11Å; F780-K785 HydrophobicContact CE1-CD 4.45Å; F780-K785 HydrophobicContact CE1-CG 4.08Å; F780-K785 HydrophobicContact CZ-CG 4.03Å; F780-Y831 AromaticContact CD1-CD1 3.97Å; F780-Y831 HydrophobicContact CD1-CD1 3.97Å; F780-Y831 AromaticContact CD1-CE1 3.63Å; F780-Y831 HydrophobicContact CD1-CE1 3.63Å; F780-Y831 HydrophobicContact CE1-CD1 4.16Å; F780-Y831 AromaticContact CE1-CE1 3.82Å; F780-Y831 HydrophobicContact CE1-CE1 3.82Å; F780-A905 HydrophobicContact CB-CB 4.4Å; F780-A905 HydrophobicContact CD2-CB 3.41Å; F780-A905 VanDerWaalsContact CD2-CB 3.41Å; F780-A905 HydrophobicContact CE2-CB 3.88Å; F780-A905 HydrophobicContact CG-CB 4.01Å; F780-L908 HydrophobicContact CE2-CB 4.32Å; F780-L908 HydrophobicContact CE2-CD1 3.81Å; F780-L908 HydrophobicContact CZ-CD1 4.22Å
781	Q	87.1	Confident	91.1	Very high	124 Å²	124	48.6 Å²	48.6	58%	0.579	23%	0.231	S	C	*	.			trans	-120.4	138.3	178	-65.6	177.9	-22.8	0	0	108.9	D783 K784	Q781-D783 VanDerWaalsContact C-N 3.3Å; Q781-D783 WeakPolarHBondContact CB-OD1 3.02Å; Q781-D783 PolarHBondContact O-N 3.18Å; Q781-K784 WeakPolarHBondContact O-CB 3.46Å; Q781-K784 PolarHBondContact O-N 3.16Å
782	E	83.6	Confident	91.2	Very high	97 Å²	97	48.8 Å²	48.8	45%	0.453	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-25.5	-172	-73.4	-61.5	108.5	0	0	113.9	K784 K785 Y831	E782-K784 PolarHBondContact O-N 3.22Å; E782-K785 WeakPolarHBondContact O-CB 3.32Å; E782-K785 PolarHBondContact O-N 3.05Å; E782-K785 WeakPolarHBondContact OE1-CE 3.48Å; E782-K785 IonicContact OE1-NZ 2.73Å; E782-K785 PolarHBondContact OE1-NZ 3.39Å; E782-K785 WeakPolarHBondContact OE2-CD 3.4Å; E782-K785 WeakPolarHBondContact OE2-CE 3.26Å; E782-K785 IonicContact OE2-NZ 2.8Å; E782-K785 PolarHBondContact OE2-NZ 2.97Å; E782-Y831 WeakPolarHBondContact OE1-CE1 3.32Å; E782-Y831 PolarHBondContact OE1-OH 3.34Å
783	D	82	Confident	91.3	Very high	79 Å²	79	53.9 Å²	53.9	42%	0.422	26%	0.255	S	S	.	.	H	α-helix	trans	-61.1	-27	177.6	68.1	-39.6	0	0	0	113.2	Q781 K785 L786	Q781-D783 VanDerWaalsContact C-N 3.3Å; Q781-D783 WeakPolarHBondContact CB-OD1 3.02Å; Q781-D783 PolarHBondContact O-N 3.18Å; D783-K785 PolarHBondContact O-N 3.27Å; D783-L786 PolarHBondContact O-N 2.9Å
784	K	87.1	Confident	91.5	Very high	34 Å²	34	52.5 Å²	52.5	15%	0.148	26%	0.255	C	S	.	.	H	α-helix	trans	-59.4	-34	172.4	-63.2	-174.4	176.9	-174.8	0	112.4	F780 Q781 E782 M787 M788 L908 F913	F780-K784 HydrophobicContact CD2-CD 4.3Å; F780-K784 HydrophobicContact CE2-CB 4.23Å; F780-K784 HydrophobicContact CE2-CD 3.99Å; F780-K784 HydrophobicContact CZ-CB 4.11Å; Q781-K784 WeakPolarHBondContact O-CB 3.46Å; Q781-K784 PolarHBondContact O-N 3.16Å; E782-K784 PolarHBondContact O-N 3.22Å; K784-M787 PolarHBondContact O-N 2.8Å; K784-M788 WeakPolarHBondContact O-CG 3.4Å; K784-M788 PolarHBondContact O-N 2.93Å; K784-M788 VanDerWaalsContact O-N 3.13Å; K784-L908 HydrophobicContact CD-CB 4.46Å; K784-L908 PolarHBondContact NZ-O 3.03Å; K784-F913 HydrophobicContact CB-CE1 4.26Å; K784-F913 HydrophobicContact CB-CZ 4.13Å; K784-F913 HydrophobicContact CD-CE1 4.37Å; K784-F913 HydrophobicContact CG-CE1 3.9Å; K784-F913 HydrophobicContact CG-CZ 4.26Å
785	K	87	Confident	91.8	Very high	34 Å²	34	51.6 Å²	51.6	15%	0.148	25%	0.25	C	C	.	.	H	α-helix	trans	-63.9	-42.2	178.4	-67.3	-179.2	179.4	158.7	0	111.4	F780 E782 D783 M787 M788 E789 V829 Y831	F780-K785 HydrophobicContact CE1-CD 4.45Å; F780-K785 HydrophobicContact CE1-CG 4.08Å; F780-K785 HydrophobicContact CZ-CG 4.03Å; E782-K785 WeakPolarHBondContact O-CB 3.32Å; E782-K785 PolarHBondContact O-N 3.05Å; E782-K785 WeakPolarHBondContact OE1-CE 3.48Å; E782-K785 IonicContact OE1-NZ 2.73Å; E782-K785 PolarHBondContact OE1-NZ 3.39Å; E782-K785 WeakPolarHBondContact OE2-CD 3.4Å; E782-K785 WeakPolarHBondContact OE2-CE 3.26Å; E782-K785 IonicContact OE2-NZ 2.8Å; E782-K785 PolarHBondContact OE2-NZ 2.97Å; D783-K785 PolarHBondContact O-N 3.27Å; K785-M787 VanDerWaalsContact C-N 3.33Å; K785-M787 PolarHBondContact O-N 2.81Å; K785-M788 WeakPolarHBondContact O-CB 3.42Å; K785-M788 PolarHBondContact O-N 3.45Å; K785-M788 VanDerWaalsContact O-N 3.13Å; K785-E789 WeakPolarHBondContact O-CG 3.47Å; K785-E789 PolarHBondContact O-N 3.32Å; K785-V829 HydrophobicContact CG-CG1 4.12Å; K785-Y831 VanDerWaalsContact NZ-CZ 3.26Å; K785-Y831 PolarHBondContact NZ-OH 3.01Å
786	L	87.3	Confident	91.9	Very high	102 Å²	102	52.3 Å²	52.3	53%	0.534	25%	0.252	S	S	.	.	H	α-helix	trans	-61.9	-39.9	-179.5	-61.7	174.8	0	0	0	112.5	D783 E790	D783-L786 PolarHBondContact O-N 2.9Å; L786-E790 PolarHBondContact O-N 3.18Å
787	M	90.1	Very high	92.1	Very high	2 Å²	2	55 Å²	55	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-70.7	-36.5	175.9	177	167.1	171.6	0	0	112	K784 K785 E789 E790 L791 F913 K916 S923	K784-M787 PolarHBondContact O-N 2.8Å; K785-M787 VanDerWaalsContact C-N 3.33Å; K785-M787 PolarHBondContact O-N 2.81Å; M787-E789 VanDerWaalsContact C-N 3.35Å; M787-E790 PolarHBondContact O-N 3.45Å; M787-L791 HydrophobicContact CE-CD1 4.39Å; M787-L791 HydrophobicContact CG-CD1 4.3Å; M787-L791 WeakPolarHBondContact O-CG 3.46Å; M787-L791 PolarHBondContact O-N 3.29Å; M787-F913 HydrophobicContact CB-CE2 4.14Å; M787-F913 HydrophobicContact CB-CZ 3.85Å; M787-F913 HydrophobicContact CE-CE2 4.33Å; M787-F913 HydrophobicContact CE-CZ 4.38Å; M787-F913 HydrophobicContact CG-CE2 3.88Å; M787-F913 HydrophobicContact CG-CZ 3.84Å; M787-F913 HydrophobicContact SD-CE1 4.23Å; M787-F913 HydrophobicContact SD-CE2 3.92Å; M787-F913 HydrophobicContact SD-CZ 3.51Å; M787-F913 VanDerWaalsContact SD-CZ 3.51Å; M787-K916 HydrophobicContact SD-CG 3.86Å; M787-S923 VanDerWaalsContact CE-CB 3.42Å; M787-S923 WeakPolarHBondContact CE-OG 3.34Å
788	M	94.3	Very high	92.4	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.5	-41	173.9	-75.7	-60.2	-60.6	0	0	112	K784 K785 E790 L791 I792 V829 F903 L908 F913 I927 V931	K784-M788 WeakPolarHBondContact O-CG 3.4Å; K784-M788 PolarHBondContact O-N 2.93Å; K784-M788 VanDerWaalsContact O-N 3.13Å; K785-M788 WeakPolarHBondContact O-CB 3.42Å; K785-M788 PolarHBondContact O-N 3.45Å; K785-M788 VanDerWaalsContact O-N 3.13Å; M788-E790 PolarHBondContact O-N 3.48Å; M788-L791 PolarHBondContact O-N 2.91Å; M788-L791 HydrophobicContact SD-CD1 4.09Å; M788-I792 HydrophobicContact CB-CD1 4.45Å; M788-I792 HydrophobicContact CE-CD1 4.38Å; M788-I792 WeakPolarHBondContact O-CB 3.3Å; M788-I792 VanDerWaalsContact O-CD1 3.3Å; M788-I792 WeakPolarHBondContact O-CD1 3.45Å; M788-I792 WeakPolarHBondContact O-CG1 3.48Å; M788-I792 PolarHBondContact O-N 3.02Å; M788-V829 HydrophobicContact CB-CG1 3.7Å; M788-V829 HydrophobicContact CB-CG2 3.99Å; M788-V829 HydrophobicContact CG-CG1 3.72Å; M788-F903 HydrophobicContact CE-CB 4.11Å; M788-F903 HydrophobicContact CE-CD1 4.16Å; M788-F903 HydrophobicContact CE-CD2 3.86Å; M788-F903 HydrophobicContact CE-CE2 4.35Å; M788-F903 HydrophobicContact CE-CG 3.76Å; M788-L908 HydrophobicContact CE-CD2 4.2Å; M788-L908 HydrophobicContact CG-CD1 4.32Å; M788-L908 HydrophobicContact CG-CD2 3.94Å; M788-L908 HydrophobicContact SD-CD2 3.67Å; M788-F913 HydrophobicContact CG-CD2 4.45Å; M788-F913 HydrophobicContact CG-CE2 4Å; M788-F913 HydrophobicContact SD-CD2 3.98Å; M788-F913 HydrophobicContact SD-CE2 3.98Å; M788-I927 HydrophobicContact CE-CD1 4.29Å; M788-I927 HydrophobicContact CE-CG1 3.9Å; M788-I927 HydrophobicContact SD-CD1 4.35Å; M788-I927 HydrophobicContact SD-CG1 3.52Å; M788-I927 VanDerWaalsContact SD-CG1 3.52Å; M788-V931 HydrophobicContact CE-CG2 3.53Å
789	E	92	Very high	92.7	Very high	103 Å²	103	44 Å²	44	48%	0.481	21%	0.21	S	C	.	.	H	α-helix	trans	-58.7	-46.3	174.4	-71.9	169.7	178.5	0	0	111.6	K785 M787 L791 I792 E793	K785-E789 WeakPolarHBondContact O-CG 3.47Å; K785-E789 PolarHBondContact O-N 3.32Å; M787-E789 VanDerWaalsContact C-N 3.35Å; E789-L791 PolarHBondContact O-N 3.02Å; E789-I792 PolarHBondContact O-N 3.15Å; E789-E793 WeakPolarHBondContact O-CG 3.31Å; E789-E793 PolarHBondContact O-N 2.82Å
790	E	91.8	Very high	93	Very high	62 Å²	62	42 Å²	42	29%	0.29	20%	0.201	S	C	.	.	H	α-helix	trans	-55.7	-48.3	174.2	179.1	-173.9	84.4	0	0	111.9	L786 M787 M788 G794 R920	L786-E790 PolarHBondContact O-N 3.18Å; M787-E790 PolarHBondContact O-N 3.45Å; M788-E790 PolarHBondContact O-N 3.48Å; E790-G794 PolarHBondContact O-N 3.05Å; E790-R920 IonicContact OE1-CZ 2.7Å; E790-R920 IonicContact OE1-NH1 3.48Å; E790-R920 PolarHBondContact OE1-NH1 2.84Å; E790-R920 IonicContact OE1-NH2 3.32Å
791	L	95.2	Very high	93.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.5	-47.2	179.2	-72.3	168	0	0	0	111.6	M787 M788 E789 E793 G794 I795 Y924 I927	M787-L791 HydrophobicContact CE-CD1 4.39Å; M787-L791 HydrophobicContact CG-CD1 4.3Å; M787-L791 WeakPolarHBondContact O-CG 3.46Å; M787-L791 PolarHBondContact O-N 3.29Å; M788-L791 PolarHBondContact O-N 2.91Å; M788-L791 HydrophobicContact SD-CD1 4.09Å; E789-L791 PolarHBondContact O-N 3.02Å; L791-E793 PolarHBondContact O-N 3.08Å; L791-G794 PolarHBondContact O-N 3.26Å; L791-I795 WeakPolarHBondContact O-CB 3.43Å; L791-I795 WeakPolarHBondContact O-CD1 3.38Å; L791-I795 VanDerWaalsContact O-CG1 3.22Å; L791-I795 WeakPolarHBondContact O-CG1 3.3Å; L791-I795 PolarHBondContact O-N 2.99Å; L791-Y924 HydrophobicContact CD2-CD1 3.72Å; L791-Y924 HydrophobicContact CD2-CD2 4.02Å; L791-Y924 HydrophobicContact CD2-CE1 3.52Å; L791-Y924 HydrophobicContact CD2-CE2 3.85Å; L791-Y924 HydrophobicContact CD2-CG 3.96Å; L791-I927 HydrophobicContact CD1-CG2 3.7Å
792	I	97.3	Very high	93.8	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-60.8	-46.6	-179.7	-71.3	157.5	0	0	0	111	M788 E789 I795 R796 P827 V829 I901 F903 V931	M788-I792 HydrophobicContact CB-CD1 4.45Å; M788-I792 HydrophobicContact CE-CD1 4.38Å; M788-I792 WeakPolarHBondContact O-CB 3.3Å; M788-I792 VanDerWaalsContact O-CD1 3.3Å; M788-I792 WeakPolarHBondContact O-CD1 3.45Å; M788-I792 WeakPolarHBondContact O-CG1 3.48Å; M788-I792 PolarHBondContact O-N 3.02Å; E789-I792 PolarHBondContact O-N 3.15Å; I792-I795 PolarHBondContact O-N 3.34Å; I792-R796 VanDerWaalsContact O-CB 3.32Å; I792-R796 WeakPolarHBondContact O-CB 3.27Å; I792-R796 PolarHBondContact O-N 2.67Å; I792-P827 HydrophobicContact CD1-CB 3.6Å; I792-P827 HydrophobicContact CD1-CG 4.48Å; I792-P827 HydrophobicContact CG1-CB 4.46Å; I792-P827 HydrophobicContact CG2-CB 4.02Å; I792-P827 HydrophobicContact CG2-CG 4.17Å; I792-V829 HydrophobicContact CD1-CG2 3.93Å; I792-I901 HydrophobicContact CG1-CD1 4.48Å; I792-I901 HydrophobicContact CG2-CD1 4.31Å; I792-F903 HydrophobicContact CD1-CD2 4.37Å; I792-F903 HydrophobicContact CD1-CE2 4.12Å; I792-F903 HydrophobicContact CG1-CE2 4.37Å; I792-V931 HydrophobicContact CB-CG1 4.29Å; I792-V931 HydrophobicContact CG1-CG1 3.63Å; I792-V931 HydrophobicContact CG1-CG2 4.2Å
793	E	97.4	Very high	94.5	Very high	108 Å²	108	31.2 Å²	31.2	51%	0.505	15%	0.151	S	C	.	.	H	α-helix	trans	-65.9	-40.1	177.8	-67.8	-51.3	138.1	0	0	112	E789 L791 I795 R796 W797	E789-E793 WeakPolarHBondContact O-CG 3.31Å; E789-E793 PolarHBondContact O-N 2.82Å; L791-E793 PolarHBondContact O-N 3.08Å; E793-I795 VanDerWaalsContact C-N 3.35Å; E793-I795 PolarHBondContact O-N 3.12Å; E793-R796 IonicContact OE1-CZ 3.84Å; E793-R796 IonicContact OE1-NH1 2.8Å; E793-R796 PolarHBondContact OE1-NH1 3.08Å; E793-R796 IonicContact OE2-NH1 3.87Å; E793-R796 PolarHBondContact OE2-NH1 3.35Å; E793-W797 WeakPolarHBondContact O-CB 3.5Å; E793-W797 PolarHBondContact O-N 3.31Å
794	G	97.9	Very high	95.1	Very high	14 Å²	14	32.7 Å²	32.7	14%	0.144	16%	0.156	C	C	.	.	H	α-helix	trans	-60.7	-43.6	176	0	0	0	0	0	112.6	E790 L791 W797 A798 A1009	E790-G794 PolarHBondContact O-N 3.05Å; L791-G794 PolarHBondContact O-N 3.26Å; G794-W797 PolarHBondContact O-N 2.63Å; G794-A798 PolarHBondContact O-N 2.93Å; G794-A1009 WeakPolarHBondContact O-CB 3.44Å
795	I	98.7	Very high	95.5	Very high	1 Å²	1	38 Å²	38	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-73.5	-42.6	-179.2	-71.4	163.6	0	0	0	111.4	L791 I792 E793 W797 A798 F799 G928 V931 L935 E1005 A1009	L791-I795 WeakPolarHBondContact O-CB 3.43Å; L791-I795 WeakPolarHBondContact O-CD1 3.38Å; L791-I795 VanDerWaalsContact O-CG1 3.22Å; L791-I795 WeakPolarHBondContact O-CG1 3.3Å; L791-I795 PolarHBondContact O-N 2.99Å; I792-I795 PolarHBondContact O-N 3.34Å; E793-I795 VanDerWaalsContact C-N 3.35Å; E793-I795 PolarHBondContact O-N 3.12Å; I795-W797 VanDerWaalsContact C-N 3.26Å; I795-W797 PolarHBondContact O-N 3.37Å; I795-A798 WeakPolarHBondContact O-CB 3.44Å; I795-A798 PolarHBondContact O-N 3.45Å; I795-F799 PolarHBondContact O-N 3.35Å; I795-G928 WeakPolarHBondContact CD1-O 3.45Å; I795-V931 HydrophobicContact CB-CG1 4.17Å; I795-V931 HydrophobicContact CD1-CB 3.52Å; I795-V931 HydrophobicContact CD1-CG1 3.5Å; I795-V931 HydrophobicContact CG1-CG1 4.46Å; I795-V931 HydrophobicContact CG2-CG1 4.12Å; I795-L935 HydrophobicContact CG2-CD2 4.1Å; I795-E1005 HydrophobicContact CG2-CB 4.01Å; I795-E1005 WeakPolarHBondContact CG2-OE2 3.38Å; I795-A1009 HydrophobicContact CG1-CB 3.99Å
796	R	98.6	Very high	95.9	Very high	16 Å²	16	39.8 Å²	39.8	6%	0.06	19%	0.188	C	C	.	.	H	α-helix	trans	-57.9	-43.5	172.9	-173.5	-173.2	-67	111.7	-2.9	110.9	I792 E793 A798 F799 I800 A822 V825 L935	I792-R796 VanDerWaalsContact O-CB 3.32Å; I792-R796 WeakPolarHBondContact O-CB 3.27Å; I792-R796 PolarHBondContact O-N 2.67Å; E793-R796 IonicContact OE1-CZ 3.84Å; E793-R796 IonicContact OE1-NH1 2.8Å; E793-R796 PolarHBondContact OE1-NH1 3.08Å; E793-R796 IonicContact OE2-NH1 3.87Å; E793-R796 PolarHBondContact OE2-NH1 3.35Å; R796-A798 VanDerWaalsContact C-N 3.33Å; R796-A798 PolarHBondContact O-N 3.13Å; R796-F799 PolarHBondContact O-N 2.68Å; R796-I800 HydrophobicContact CG-CD1 4.07Å; R796-I800 WeakPolarHBondContact O-CG1 3.29Å; R796-I800 PolarHBondContact O-N 3.29Å; R796-I800 VanDerWaalsContact O-N 3.14Å; R796-A822 WeakPolarHBondContact CD-O 3.19Å; R796-A822 PolarHBondContact NE-O 3.08Å; R796-V825 PolarHBondContact NH2-O 2.71Å; R796-L935 HydrophobicContact CB-CD2 4.41Å
797	W	98.4	Very high	96.3	Very high	64 Å²	64	35.2 Å²	35.2	24%	0.242	16%	0.164	C	C	.	.	H	α-helix	trans	-59.1	-45.4	173.1	169	78.7	0	0	0	111.4	E793 G794 I795 F799 I800 D801 R1008 R1012	E793-W797 WeakPolarHBondContact O-CB 3.5Å; E793-W797 PolarHBondContact O-N 3.31Å; G794-W797 PolarHBondContact O-N 2.63Å; I795-W797 VanDerWaalsContact C-N 3.26Å; I795-W797 PolarHBondContact O-N 3.37Å; W797-F799 PolarHBondContact O-N 3.5Å; W797-I800 PolarHBondContact O-N 3.15Å; W797-D801 HydrophobicContact CD2-CB 4.38Å; W797-D801 HydrophobicContact CH2-CB 4.09Å; W797-D801 HydrophobicContact CZ2-CB 3.65Å; W797-D801 WeakPolarHBondContact CZ2-OD1 3.19Å; W797-D801 VanDerWaalsContact O-CB 3.32Å; W797-D801 WeakPolarHBondContact O-CB 3.12Å; W797-D801 PolarHBondContact O-N 3.49Å; W797-R1008 HydrophobicContact CH2-CG 4.35Å; W797-R1008 HydrophobicContact CZ3-CG 4.05Å; W797-R1012 VanDerWaalsContact CD2-CD 3.42Å; W797-R1012 VanDerWaalsContact CD2-CZ 3.41Å; W797-R1012 HydrophobicContact CE3-CB 4.42Å; W797-R1012 HydrophobicContact CE3-CG 4.4Å; W797-R1012 HydrophobicContact CH2-CB 4.2Å; W797-R1012 HydrophobicContact CH2-CG 4.38Å; W797-R1012 HydrophobicContact CZ3-CB 3.81Å; W797-R1012 HydrophobicContact CZ3-CG 4.14Å; W797-R1012 VanDerWaalsContact NE1-NH1 3.11Å
798	A	98.6	Very high	96.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63	-42.6	-178.1	0	0	0	0	0	112.3	G794 I795 R796 D801 M802 E1005 R1008 A1009	G794-A798 PolarHBondContact O-N 2.93Å; I795-A798 WeakPolarHBondContact O-CB 3.44Å; I795-A798 PolarHBondContact O-N 3.45Å; R796-A798 VanDerWaalsContact C-N 3.33Å; R796-A798 PolarHBondContact O-N 3.13Å; A798-D801 PolarHBondContact O-N 3.07Å; A798-M802 VanDerWaalsContact O-CG 3.31Å; A798-M802 WeakPolarHBondContact O-CG 3.33Å; A798-M802 PolarHBondContact O-N 3.07Å; A798-E1005 HydrophobicContact CB-CB 4.45Å; A798-E1005 WeakPolarHBondContact CB-O 3.08Å; A798-R1008 HydrophobicContact CB-CB 4.04Å; A798-R1008 HydrophobicContact CB-CG 4.33Å; A798-A1009 HydrophobicContact CB-CB 4.14Å
799	F	98.6	Very high	96.6	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.009	20%	0.202	C	C	.	.	H	α-helix	trans	-57.8	-49.5	173.9	178.5	-97.9	0	0	0	111.9	I795 R796 W797 D801 M802 L803 A822 L935 F939 E1005 W1102	I795-F799 PolarHBondContact O-N 3.35Å; R796-F799 PolarHBondContact O-N 2.68Å; W797-F799 PolarHBondContact O-N 3.5Å; F799-D801 PolarHBondContact O-N 3.27Å; F799-M802 PolarHBondContact O-N 3.46Å; F799-L803 HydrophobicContact CE1-CD2 4.31Å; F799-L803 WeakPolarHBondContact O-CB 3.32Å; F799-L803 PolarHBondContact O-N 3.44Å; F799-A822 HydrophobicContact CD1-CB 3.85Å; F799-A822 HydrophobicContact CE1-CB 3.95Å; F799-L935 HydrophobicContact CB-CD2 3.82Å; F799-L935 HydrophobicContact CG-CD2 4.21Å; F799-F939 HydrophobicContact CD1-CE2 4.35Å; F799-F939 HydrophobicContact CE1-CD1 4.48Å; F799-F939 AromaticContact CE1-CD2 3.98Å; F799-F939 HydrophobicContact CE1-CD2 3.98Å; F799-F939 HydrophobicContact CE1-CE1 4.11Å; F799-F939 AromaticContact CE1-CE2 3.57Å; F799-F939 HydrophobicContact CE1-CE2 3.57Å; F799-F939 HydrophobicContact CE1-CG 4.42Å; F799-F939 AromaticContact CE1-CZ 3.64Å; F799-F939 HydrophobicContact CE1-CZ 3.64Å; F799-F939 AromaticContact CE2-CD2 3.93Å; F799-F939 HydrophobicContact CE2-CD2 3.93Å; F799-F939 HydrophobicContact CE2-CE2 4.29Å; F799-F939 HydrophobicContact CE2-CG 4.32Å; F799-F939 HydrophobicContact CZ-CB 4.38Å; F799-F939 AromaticContact CZ-CD1 3.98Å; F799-F939 HydrophobicContact CZ-CD1 3.98Å; F799-F939 AromaticContact CZ-CD2 3.41Å; F799-F939 HydrophobicContact CZ-CD2 3.41Å; F799-F939 VanDerWaalsContact CZ-CD2 3.41Å; F799-F939 HydrophobicContact CZ-CE1 4.07Å; F799-F939 AromaticContact CZ-CE2 3.53Å; F799-F939 HydrophobicContact CZ-CE2 3.53Å; F799-F939 AromaticContact CZ-CG 3.66Å; F799-F939 HydrophobicContact CZ-CG 3.66Å; F799-F939 AromaticContact CZ-CZ 3.86Å; F799-F939 HydrophobicContact CZ-CZ 3.86Å; F799-E1005 HydrophobicContact CB-CG 4.18Å; F799-E1005 HydrophobicContact CD2-CG 4.41Å; F799-E1005 VanDerWaalsContact CD2-OE1 3.26Å; F799-E1005 WeakPolarHBondContact CD2-OE1 3.42Å; F799-W1102 AromaticContact CE2-CD2 3.99Å; F799-W1102 HydrophobicContact CE2-CD2 3.99Å; F799-W1102 AromaticContact CE2-CE3 3.83Å; F799-W1102 HydrophobicContact CE2-CE3 3.83Å; F799-W1102 HydrophobicContact CE2-CG 4.28Å; F799-W1102 HydrophobicContact CE2-CZ3 4.44Å; F799-W1102 HydrophobicContact CZ-CD2 4.48Å; F799-W1102 HydrophobicContact CZ-CE3 4.03Å; F799-W1102 HydrophobicContact CZ-CZ3 4.18Å
800	I	98.6	Very high	96.9	Very high	15 Å²	15	38.3 Å²	38.3	8%	0.077	18%	0.181	C	C	.	.	H	α-helix	trans	-63.4	-43.6	179.2	-67.4	166.9	0	0	0	110.9	R796 W797 M802 L803 E804 I819 A822 H823	R796-I800 HydrophobicContact CG-CD1 4.07Å; R796-I800 WeakPolarHBondContact O-CG1 3.29Å; R796-I800 PolarHBondContact O-N 3.29Å; R796-I800 VanDerWaalsContact O-N 3.14Å; W797-I800 PolarHBondContact O-N 3.15Å; I800-M802 PolarHBondContact O-N 3.4Å; I800-L803 WeakPolarHBondContact O-CB 3.22Å; I800-L803 PolarHBondContact O-N 3.34Å; I800-E804 HydrophobicContact CG2-CG 4.39Å; I800-E804 WeakPolarHBondContact O-CG 3.32Å; I800-E804 PolarHBondContact O-N 2.79Å; I800-I819 HydrophobicContact CG2-CG1 4.25Å; I800-I819 HydrophobicContact CG2-CG2 4.31Å; I800-A822 HydrophobicContact CD1-CB 4.35Å; I800-A822 HydrophobicContact CG1-CB 4.15Å; I800-H823 VanDerWaalsContact CD1-CE1 3.46Å; I800-H823 WeakPolarHBondContact CD1-CE1 3.28Å; I800-H823 WeakPolarHBondContact CD1-NE2 3.11Å
801	D	98.3	Very high	97.1	Very high	11 Å²	11	37.4 Å²	37.4	6%	0.059	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-39.7	-179.7	-168.1	80.9	0	0	0	112	W797 A798 F799 K805 R1008	W797-D801 HydrophobicContact CD2-CB 4.38Å; W797-D801 HydrophobicContact CH2-CB 4.09Å; W797-D801 HydrophobicContact CZ2-CB 3.65Å; W797-D801 WeakPolarHBondContact CZ2-OD1 3.19Å; W797-D801 VanDerWaalsContact O-CB 3.32Å; W797-D801 WeakPolarHBondContact O-CB 3.12Å; W797-D801 PolarHBondContact O-N 3.49Å; A798-D801 PolarHBondContact O-N 3.07Å; F799-D801 PolarHBondContact O-N 3.27Å; D801-K805 WeakPolarHBondContact O-CB 3.31Å; D801-K805 PolarHBondContact O-N 3.35Å; D801-K805 VanDerWaalsContact OD1-CE 3.22Å; D801-K805 WeakPolarHBondContact OD1-CE 3.5Å; D801-K805 IonicContact OD1-NZ 2.78Å; D801-K805 PolarHBondContact OD1-NZ 3.22Å; D801-K805 IonicContact OD2-NZ 3.68Å; D801-R1008 IonicContact OD2-CZ 3.93Å; D801-R1008 IonicContact OD2-NE 2.77Å; D801-R1008 PolarHBondContact OD2-NE 2.62Å; D801-R1008 IonicContact OD2-NH2 3.43Å; D801-R1008 PolarHBondContact OD2-NH2 2.94Å
802	M	97.4	Very high	97.2	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.015	20%	0.204	C	C	.	.	H	α-helix	trans	-64.7	-43.5	173	-72.2	-174	-47.8	0	0	112	A798 F799 I800 E804 E806 N807 R1004 E1005 R1008	A798-M802 VanDerWaalsContact O-CG 3.31Å; A798-M802 WeakPolarHBondContact O-CG 3.33Å; A798-M802 PolarHBondContact O-N 3.07Å; F799-M802 PolarHBondContact O-N 3.46Å; I800-M802 PolarHBondContact O-N 3.4Å; M802-E804 VanDerWaalsContact C-N 3.32Å; M802-E804 PolarHBondContact O-N 2.83Å; M802-E806 PolarHBondContact O-N 3.36Å; M802-N807 PolarHBondContact O-N 3.07Å; M802-R1004 HydrophobicContact CE-CB 4.45Å; M802-R1004 HydrophobicContact SD-CB 4.02Å; M802-E1005 HydrophobicContact CE-CB 4.23Å; M802-E1005 HydrophobicContact CE-CG 3.34Å; M802-R1008 VanDerWaalsContact CG-NH1 3.32Å
803	L	96.8	Very high	97.2	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-62.8	-37.9	178.9	-175.8	62.2	0	0	0	112.5	F799 I800 N807 M810 K815 A818 I819 W1102	F799-L803 HydrophobicContact CE1-CD2 4.31Å; F799-L803 WeakPolarHBondContact O-CB 3.32Å; F799-L803 PolarHBondContact O-N 3.44Å; I800-L803 WeakPolarHBondContact O-CB 3.22Å; I800-L803 PolarHBondContact O-N 3.34Å; L803-N807 HydrophobicContact CD1-CB 4.12Å; L803-N807 WeakPolarHBondContact O-CB 3.4Å; L803-M810 HydrophobicContact CD1-CE 4.35Å; L803-M810 HydrophobicContact CD1-SD 3.62Å; L803-K815 HydrophobicContact CD1-CG 3.98Å; L803-K815 HydrophobicContact CG-CB 4.42Å; L803-K815 HydrophobicContact CG-CG 4.22Å; L803-K815 WeakPolarHBondContact O-CD 3.49Å; L803-K815 WeakPolarHBondContact O-CE 3.09Å; L803-K815 PolarHBondContact O-NZ 3.25Å; L803-A818 HydrophobicContact CD2-CB 3.65Å; L803-I819 HydrophobicContact CD2-CG1 3.7Å; L803-W1102 HydrophobicContact CD1-CZ3 4.13Å
804	E	96.1	Very high	97.2	Very high	109 Å²	109	43.6 Å²	43.6	51%	0.509	21%	0.207	S	C	.	.	H	α-helix	trans	-76.7	-46.6	179.2	-71.8	-178.4	150.3	0	0	112.4	I800 M802 I819	I800-E804 HydrophobicContact CG2-CG 4.39Å; I800-E804 WeakPolarHBondContact O-CG 3.32Å; I800-E804 PolarHBondContact O-N 2.79Å; M802-E804 VanDerWaalsContact C-N 3.32Å; M802-E804 PolarHBondContact O-N 2.83Å; E804-I819 HydrophobicContact CG-CD1 3.75Å
805	K	95.4	Very high	97.2	Very high	145 Å²	145	43.9 Å²	43.9	63%	0.63	21%	0.205	S	C	*	.	H	α-helix	trans	-96.7	-28	-166.5	-65.4	178.6	178.3	163.2	0	115.3	D801	D801-K805 WeakPolarHBondContact O-CB 3.31Å; D801-K805 PolarHBondContact O-N 3.35Å; D801-K805 VanDerWaalsContact OD1-CE 3.22Å; D801-K805 WeakPolarHBondContact OD1-CE 3.5Å; D801-K805 IonicContact OD1-NZ 2.78Å; D801-K805 PolarHBondContact OD1-NZ 3.22Å; D801-K805 IonicContact OD2-NZ 3.68Å
806	E	94.8	Very high	97.1	Very high	73 Å²	73	47.5 Å²	47.5	34%	0.341	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-29	-168.5	-68.2	176.6	-155.6	0	0	113.4	M802 D808 R1008 R1100	M802-E806 PolarHBondContact O-N 3.36Å; E806-D808 PolarHBondContact O-N 3.05Å; E806-D808 VanDerWaalsContact O-N 3.13Å; E806-R1008 VanDerWaalsContact CD-NH1 3.31Å; E806-R1008 IonicContact OE1-CZ 3.34Å; E806-R1008 IonicContact OE1-NH1 3.78Å; E806-R1008 PolarHBondContact OE1-NH1 2.86Å; E806-R1008 IonicContact OE1-NH2 3.82Å; E806-R1008 PolarHBondContact OE1-NH2 3.36Å; E806-R1008 IonicContact OE2-NH1 2.78Å; E806-R1008 PolarHBondContact OE2-NH1 3.19Å; E806-R1100 IonicContact OE2-CZ 2.71Å; E806-R1100 IonicContact OE2-NH1 2.92Å; E806-R1100 PolarHBondContact OE2-NH1 3.33Å; E806-R1100 IonicContact OE2-NH2 3.39Å; E806-R1100 PolarHBondContact OE2-NH2 3.15Å
807	N	96.1	Very high	97.1	Very high	6 Å²	6	50.2 Å²	50.2	3%	0.032	24%	0.236	C	C	.	.			trans	-67	113.6	177.1	-174.4	-71.8	0	0	0	110	M802 L803 W809 M810 K815	M802-N807 PolarHBondContact O-N 3.07Å; L803-N807 HydrophobicContact CD1-CB 4.12Å; L803-N807 WeakPolarHBondContact O-CB 3.4Å; N807-W809 WeakPolarHBondContact ND2-CZ2 3.38Å; N807-W809 PolarHBondContact ND2-NE1 3.24Å; N807-M810 VanDerWaalsContact OD1-CB 3.23Å; N807-M810 WeakPolarHBondContact OD1-CB 3.4Å; N807-M810 VanDerWaalsContact OD1-CG 3.29Å; N807-M810 WeakPolarHBondContact OD1-CG 3.42Å; N807-M810 PolarHBondContact OD1-N 2.96Å; N807-M810 VanDerWaalsContact OD1-N 3.09Å; N807-K815 WeakPolarHBondContact O-CE 3.41Å; N807-K815 PolarHBondContact O-NZ 3.08Å
808	D	95.1	Very high	97.1	Very high	131 Å²	131	47.2 Å²	47.2	70%	0.701	23%	0.225	S	C	*	.			trans	-105	-10.5	-176.3	60.7	-6.7	0	0	0	113.5	E806 K967	E806-D808 PolarHBondContact O-N 3.05Å; E806-D808 VanDerWaalsContact O-N 3.13Å; D808-K967 IonicContact OD1-NZ 3.61Å; D808-K967 PolarHBondContact OD1-NZ 3.04Å
809	W	96.4	Very high	97.1	Very high	29 Å²	29	48.2 Å²	48.2	11%	0.11	23%	0.23	C	C	.	.	S	Bend	trans	-101	-11	-169.5	63.1	-93.8	0	0	0	114	N807 W956 A963 F964 K967 V1101 W1102	N807-W809 WeakPolarHBondContact ND2-CZ2 3.38Å; N807-W809 PolarHBondContact ND2-NE1 3.24Å; W809-W956 AromaticContact CH2-CH2 3.9Å; W809-W956 HydrophobicContact CH2-CH2 3.9Å; W809-W956 AromaticContact CH2-CZ3 3.75Å; W809-W956 HydrophobicContact CH2-CZ3 3.75Å; W809-W956 HydrophobicContact CZ3-CH2 4.38Å; W809-W956 AromaticContact CZ3-CZ3 3.76Å; W809-W956 HydrophobicContact CZ3-CZ3 3.76Å; W809-A963 HydrophobicContact CB-CB 4.24Å; W809-A963 HydrophobicContact CE3-CB 3.89Å; W809-F964 HydrophobicContact CH2-CB 4.14Å; W809-F964 AromaticContact CH2-CD2 3.71Å; W809-F964 HydrophobicContact CH2-CD2 3.71Å; W809-F964 HydrophobicContact CH2-CG 4.43Å; W809-F964 HydrophobicContact CZ2-CD2 4.44Å; W809-F964 HydrophobicContact CZ3-CB 3.75Å; W809-F964 HydrophobicContact CZ3-CD2 4.23Å; W809-K967 VanDerWaalsContact CB-CE 3.48Å; W809-K967 HydrophobicContact CD2-CD 4.48Å; W809-K967 HydrophobicContact CG-CD 4.04Å; W809-K967 HydrophobicContact CG-CG 4.42Å; W809-V1101 HydrophobicContact CZ2-CG1 4.1Å; W809-V1101 WeakPolarHBondContact CZ2-O 3.33Å; W809-V1101 PolarHBondContact NE1-O 3.37Å; W809-W1102 HydrophobicContact CH2-CH2 4.02Å; W809-W1102 HydrophobicContact CH2-CZ2 4.44Å; W809-W1102 HydrophobicContact CH2-CZ3 4.31Å; W809-W1102 HydrophobicContact CZ2-CE3 4.4Å; W809-W1102 HydrophobicContact CZ2-CH2 4.21Å; W809-W1102 HydrophobicContact CZ2-CZ3 4.11Å
810	M	96.9	Very high	97.1	Very high	10 Å²	10	52.7 Å²	52.7	5%	0.049	25%	0.251	C	S	.	.	S	Bend	trans	-98.6	139.2	173.1	-63.3	176.7	69.6	0	0	111.8	L803 N807 T814 K815 A818 W956 W1102	L803-M810 HydrophobicContact CD1-CE 4.35Å; L803-M810 HydrophobicContact CD1-SD 3.62Å; N807-M810 VanDerWaalsContact OD1-CB 3.23Å; N807-M810 WeakPolarHBondContact OD1-CB 3.4Å; N807-M810 VanDerWaalsContact OD1-CG 3.29Å; N807-M810 WeakPolarHBondContact OD1-CG 3.42Å; N807-M810 PolarHBondContact OD1-N 2.96Å; N807-M810 VanDerWaalsContact OD1-N 3.09Å; M810-T814 HydrophobicContact CE-CG2 3.38Å; M810-K815 HydrophobicContact CB-CG 3.81Å; M810-K815 VanDerWaalsContact O-CE 3.31Å; M810-K815 WeakPolarHBondContact O-CE 3.34Å; M810-A818 HydrophobicContact CE-CB 4.29Å; M810-W956 HydrophobicContact CE-CH2 4.11Å; M810-W956 HydrophobicContact CE-CZ2 4.1Å; M810-W956 HydrophobicContact CE-CZ3 4.29Å; M810-W956 HydrophobicContact SD-CH2 4.49Å; M810-W1102 HydrophobicContact CE-CH2 4.43Å; M810-W1102 HydrophobicContact SD-CH2 3.91Å; M810-W1102 HydrophobicContact SD-CZ3 3.63Å
811	D	97	Very high	97.1	Very high	42 Å²	42	52 Å²	52	23%	0.225	25%	0.248	C	C	.	.			trans	-67.9	157.5	168.6	64.4	68.2	0	0	0	112.3	Q813 T814 K815 S957 S960	D811-Q813 VanDerWaalsContact C-N 3.27Å; D811-Q813 PolarHBondContact O-N 3.46Å; D811-Q813 WeakPolarHBondContact OD1-CB 3.16Å; D811-Q813 PolarHBondContact OD1-N 3.27Å; D811-Q813 VanDerWaalsContact OD1-N 3.17Å; D811-T814 VanDerWaalsContact CG-OG1 3.28Å; D811-T814 PolarHBondContact O-N 2.88Å; D811-T814 VanDerWaalsContact OD1-CB 3.31Å; D811-T814 WeakPolarHBondContact OD1-CB 3.27Å; D811-T814 PolarHBondContact OD1-N 2.93Å; D811-T814 PolarHBondContact OD1-OG1 2.91Å; D811-T814 PolarHBondContact OD2-OG1 3.39Å; D811-T814 VanDerWaalsContact OD2-OG1 3.05Å; D811-K815 WeakPolarHBondContact O-CG 3.49Å; D811-K815 PolarHBondContact O-N 3.39Å; D811-S957 WeakPolarHBondContact OD2-CB 3.48Å; D811-S957 PolarHBondContact OD2-OG 3.48Å; D811-S960 PolarHBondContact N-OG 2.78Å; D811-S960 PolarHBondContact OD2-OG 3.45Å
812	Q	96.6	Very high	97	Very high	116 Å²	116	51.5 Å²	51.5	54%	0.542	25%	0.245	S	C	.	.	H	α-helix	trans	-61.6	-33.7	-175.9	-168.8	60.9	48.5	0	0	113.2	K815 N816	Q812-K815 PolarHBondContact O-N 2.91Å; Q812-N816 PolarHBondContact NE2-OD1 2.97Å; Q812-N816 PolarHBondContact O-N 3.36Å; Q812-N816 PolarHBondContact O-OD1 3.02Å
813	Q	96.8	Very high	97.1	Very high	126 Å²	126	57 Å²	57	59%	0.589	27%	0.27	S	S	*	.	H	α-helix	trans	-66.2	-43.7	180	-174.9	-176.1	17.4	0	0	111	D811 N816 K817	D811-Q813 VanDerWaalsContact C-N 3.27Å; D811-Q813 PolarHBondContact O-N 3.46Å; D811-Q813 WeakPolarHBondContact OD1-CB 3.16Å; D811-Q813 PolarHBondContact OD1-N 3.27Å; D811-Q813 VanDerWaalsContact OD1-N 3.17Å; Q813-N816 PolarHBondContact O-N 2.91Å; Q813-K817 PolarHBondContact O-N 3.02Å
814	T	97.9	Very high	97.1	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.006	28%	0.283	C	S	.	.	H	α-helix	trans	-70.2	-39.6	179.1	-52.8	0	0	0	0	110.4	M810 D811 N816 K817 A818 W956 S957 S960	M810-T814 HydrophobicContact CE-CG2 3.38Å; D811-T814 VanDerWaalsContact CG-OG1 3.28Å; D811-T814 PolarHBondContact O-N 2.88Å; D811-T814 VanDerWaalsContact OD1-CB 3.31Å; D811-T814 WeakPolarHBondContact OD1-CB 3.27Å; D811-T814 PolarHBondContact OD1-N 2.93Å; D811-T814 PolarHBondContact OD1-OG1 2.91Å; D811-T814 PolarHBondContact OD2-OG1 3.39Å; D811-T814 VanDerWaalsContact OD2-OG1 3.05Å; T814-N816 PolarHBondContact O-N 3.31Å; T814-K817 PolarHBondContact O-N 3.28Å; T814-A818 WeakPolarHBondContact O-CB 3.21Å; T814-A818 PolarHBondContact O-N 3.45Å; T814-W956 HydrophobicContact CG2-CB 3.8Å; T814-W956 HydrophobicContact CG2-CD2 3.59Å; T814-W956 HydrophobicContact CG2-CE3 4.12Å; T814-W956 HydrophobicContact CG2-CG 3.44Å; T814-W956 VanDerWaalsContact CG2-CG 3.44Å; T814-S957 PolarHBondContact OG1-N 2.89Å; T814-S960 PolarHBondContact OG1-OG 2.82Å
815	K	97.9	Very high	97.2	Very high	20 Å²	20	53.4 Å²	53.4	9%	0.087	26%	0.259	C	S	.	.	H	α-helix	trans	-56.1	-49.9	171.7	-73	-177.8	177.4	-173.2	0	112.1	L803 N807 M810 D811 Q812 K817 A818 I819	L803-K815 HydrophobicContact CD1-CG 3.98Å; L803-K815 HydrophobicContact CG-CB 4.42Å; L803-K815 HydrophobicContact CG-CG 4.22Å; L803-K815 WeakPolarHBondContact O-CD 3.49Å; L803-K815 WeakPolarHBondContact O-CE 3.09Å; L803-K815 PolarHBondContact O-NZ 3.25Å; N807-K815 WeakPolarHBondContact O-CE 3.41Å; N807-K815 PolarHBondContact O-NZ 3.08Å; M810-K815 HydrophobicContact CB-CG 3.81Å; M810-K815 VanDerWaalsContact O-CE 3.31Å; M810-K815 WeakPolarHBondContact O-CE 3.34Å; D811-K815 WeakPolarHBondContact O-CG 3.49Å; D811-K815 PolarHBondContact O-N 3.39Å; Q812-K815 PolarHBondContact O-N 2.91Å; K815-K817 VanDerWaalsContact C-N 3.3Å; K815-K817 PolarHBondContact O-N 3.12Å; K815-A818 PolarHBondContact O-N 3.31Å; K815-I819 WeakPolarHBondContact O-CG1 3.31Å; K815-I819 PolarHBondContact O-N 3.05Å
816	N	97.7	Very high	97.2	Very high	77 Å²	77	50 Å²	50	41%	0.412	25%	0.247	S	C	.	.	H	α-helix	trans	-57.3	-43.3	179.7	-68.4	-6.2	0	0	0	111.9	Q812 Q813 T814 I819 E820	Q812-N816 PolarHBondContact NE2-OD1 2.97Å; Q812-N816 PolarHBondContact O-N 3.36Å; Q812-N816 PolarHBondContact O-OD1 3.02Å; Q813-N816 PolarHBondContact O-N 2.91Å; T814-N816 PolarHBondContact O-N 3.31Å; N816-I819 PolarHBondContact O-N 3.31Å; N816-E820 WeakPolarHBondContact O-CG 3.2Å; N816-E820 PolarHBondContact O-N 3.37Å
817	K	97.9	Very high	97.3	Very high	73 Å²	73	48.6 Å²	48.6	32%	0.317	25%	0.245	S	C	.	.	H	α-helix	trans	-67.4	-35.9	176.3	-67.9	-178.5	-177.2	-179.1	0	113	Q813 T814 K815 E820 K821 W955	Q813-K817 PolarHBondContact O-N 3.02Å; T814-K817 PolarHBondContact O-N 3.28Å; K815-K817 VanDerWaalsContact C-N 3.3Å; K815-K817 PolarHBondContact O-N 3.12Å; K817-E820 PolarHBondContact O-N 3.22Å; K817-K821 PolarHBondContact O-N 2.73Å; K817-W955 HydrophobicContact CB-CE3 3.47Å; K817-W955 VanDerWaalsContact CB-CE3 3.47Å; K817-W955 HydrophobicContact CB-CZ3 3.65Å; K817-W955 HydrophobicContact CD-CB 4.21Å; K817-W955 HydrophobicContact CD-CE3 4Å; K817-W955 WeakPolarHBondContact CD-O 3.41Å; K817-W955 HydrophobicContact CG-CE3 4.42Å; K817-W955 PolarHBondContact NZ-O 2.92Å
818	A	98.2	Very high	97.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.7	-38	176.7	0	0	0	0	0	111.3	L803 M810 T814 K815 K821 A822 F939 W955	L803-A818 HydrophobicContact CD2-CB 3.65Å; M810-A818 HydrophobicContact CE-CB 4.29Å; T814-A818 WeakPolarHBondContact O-CB 3.21Å; T814-A818 PolarHBondContact O-N 3.45Å; K815-A818 PolarHBondContact O-N 3.31Å; A818-K821 PolarHBondContact O-N 2.83Å; A818-A822 WeakPolarHBondContact O-CB 3.32Å; A818-A822 PolarHBondContact O-N 3.18Å; A818-F939 HydrophobicContact CB-CD1 4.37Å; A818-F939 HydrophobicContact CB-CE1 3.95Å; A818-W955 HydrophobicContact CB-CH2 4Å; A818-W955 HydrophobicContact CB-CZ3 4Å
819	I	98.4	Very high	97.2	Very high	22 Å²	22	45.3 Å²	45.3	11%	0.113	23%	0.226	C	C	.	.	H	α-helix	trans	-61.4	-48.2	171.2	-65.1	168.3	0	0	0	110.6	I800 L803 E804 K815 N816 K821 A822 H823	I800-I819 HydrophobicContact CG2-CG1 4.25Å; I800-I819 HydrophobicContact CG2-CG2 4.31Å; L803-I819 HydrophobicContact CD2-CG1 3.7Å; E804-I819 HydrophobicContact CG-CD1 3.75Å; K815-I819 WeakPolarHBondContact O-CG1 3.31Å; K815-I819 PolarHBondContact O-N 3.05Å; N816-I819 PolarHBondContact O-N 3.31Å; I819-K821 VanDerWaalsContact C-N 3.28Å; I819-K821 PolarHBondContact O-N 3.38Å; I819-A822 PolarHBondContact O-N 3.29Å; I819-H823 PolarHBondContact O-CD2 2.94Å; I819-H823 VanDerWaalsContact O-CD2 3.22Å; I819-H823 PolarHBondContact O-N 2.73Å
820	E	98.3	Very high	97.2	Very high	95 Å²	95	44 Å²	44	44%	0.444	22%	0.22	S	C	.	.	H	α-helix	trans	-56.7	-42.3	175.1	-75.3	-176.4	-145.6	0	0	112.3	N816 K817 A824 K948	N816-E820 WeakPolarHBondContact O-CG 3.2Å; N816-E820 PolarHBondContact O-N 3.37Å; K817-E820 PolarHBondContact O-N 3.22Å; E820-A824 WeakPolarHBondContact O-CB 3.33Å; E820-A824 PolarHBondContact O-N 2.73Å; E820-A824 VanDerWaalsContact O-N 3.13Å; E820-K948 HydrophobicContact CB-CD 4.44Å; E820-K948 IonicContact OE2-NZ 3.26Å; E820-K948 PolarHBondContact OE2-NZ 2.96Å
821	K	98.3	Very high	97.1	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.009	22%	0.222	C	C	.	.	H	α-helix	trans	-65.3	-44.6	176.9	-180	172.7	-176.5	-177.1	0	111.7	K817 A818 I819 H823 A824 V825 Y894 N899 G938 F939 G943 Y946 K948 W955	K817-K821 PolarHBondContact O-N 2.73Å; A818-K821 PolarHBondContact O-N 2.83Å; I819-K821 VanDerWaalsContact C-N 3.28Å; I819-K821 PolarHBondContact O-N 3.38Å; K821-H823 VanDerWaalsContact C-N 3.32Å; K821-H823 PolarHBondContact O-N 3.13Å; K821-A824 CarbonylContact O-C 3.58Å; K821-A824 WeakPolarHBondContact O-CA 3.4Å; K821-A824 WeakPolarHBondContact O-CB 3.35Å; K821-A824 PolarHBondContact O-N 3.21Å; K821-V825 WeakPolarHBondContact O-CG2 3.25Å; K821-V825 PolarHBondContact O-N 2.79Å; K821-V825 VanDerWaalsContact O-N 3.16Å; K821-Y894 WeakPolarHBondContact CE-OH 3.42Å; K821-Y894 PolarHBondContact NZ-OH 2.97Å; K821-N899 WeakPolarHBondContact CE-OD1 3.22Å; K821-N899 PolarHBondContact O-ND2 3.45Å; K821-G938 WeakPolarHBondContact CE-O 3.2Å; K821-G938 PolarHBondContact NZ-O 3.35Å; K821-F939 HydrophobicContact CB-CE1 4.05Å; K821-F939 HydrophobicContact CB-CZ 4.14Å; K821-F939 HydrophobicContact CD-CE1 3.9Å; K821-F939 HydrophobicContact CD-CZ 4.21Å; K821-F939 HydrophobicContact CG-CE1 4.06Å; K821-F939 HydrophobicContact CG-CZ 3.98Å; K821-G943 PolarHBondContact NZ-O 3.5Å; K821-Y946 WeakPolarHBondContact CE-O 3.35Å; K821-Y946 PolarHBondContact NZ-O 3.35Å; K821-K948 HydrophobicContact CB-CB 4.22Å; K821-K948 HydrophobicContact CG-CB 4.44Å; K821-W955 HydrophobicContact CD-CH2 4.15Å; K821-W955 HydrophobicContact CD-CZ2 3.68Å
822	A	98.2	Very high	96.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.7	-40.9	179.8	0	0	0	0	0	111.7	R796 F799 I800 A818 I819 A824 V825 F939	R796-A822 WeakPolarHBondContact CD-O 3.19Å; R796-A822 PolarHBondContact NE-O 3.08Å; F799-A822 HydrophobicContact CD1-CB 3.85Å; F799-A822 HydrophobicContact CE1-CB 3.95Å; I800-A822 HydrophobicContact CD1-CB 4.35Å; I800-A822 HydrophobicContact CG1-CB 4.15Å; A818-A822 WeakPolarHBondContact O-CB 3.32Å; A818-A822 PolarHBondContact O-N 3.18Å; I819-A822 PolarHBondContact O-N 3.29Å; A822-A824 VanDerWaalsContact C-N 3.3Å; A822-A824 PolarHBondContact O-N 2.75Å; A822-V825 PolarHBondContact O-N 3.4Å; A822-F939 HydrophobicContact CB-CE2 4.39Å; A822-F939 HydrophobicContact CB-CZ 3.91Å
823	H	98.1	Very high	96.8	Very high	118 Å²	118	44.2 Å²	44.2	55%	0.546	22%	0.219	S	C	.	.	H	α-helix	trans	-65.1	-32.2	172.5	-76.5	-60.3	0	0	0	113.4	I800 I819 K821 V825	I800-H823 VanDerWaalsContact CD1-CE1 3.46Å; I800-H823 WeakPolarHBondContact CD1-CE1 3.28Å; I800-H823 WeakPolarHBondContact CD1-NE2 3.11Å; I819-H823 PolarHBondContact O-CD2 2.94Å; I819-H823 VanDerWaalsContact O-CD2 3.22Å; I819-H823 PolarHBondContact O-N 2.73Å; K821-H823 VanDerWaalsContact C-N 3.32Å; K821-H823 PolarHBondContact O-N 3.13Å; H823-V825 VanDerWaalsContact C-N 3.31Å
824	A	97.6	Very high	96.6	Very high	34 Å²	34	39.7 Å²	39.7	28%	0.281	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-6.8	178.8	0	0	0	0	0	114.1	E820 K821 A822 L826 N899 K948	E820-A824 WeakPolarHBondContact O-CB 3.33Å; E820-A824 PolarHBondContact O-N 2.73Å; E820-A824 VanDerWaalsContact O-N 3.13Å; K821-A824 CarbonylContact O-C 3.58Å; K821-A824 WeakPolarHBondContact O-CA 3.4Å; K821-A824 WeakPolarHBondContact O-CB 3.35Å; K821-A824 PolarHBondContact O-N 3.21Å; A822-A824 VanDerWaalsContact C-N 3.3Å; A822-A824 PolarHBondContact O-N 2.75Å; A824-L826 PolarHBondContact O-N 2.94Å; A824-N899 VanDerWaalsContact C-ND2 3.34Å; A824-N899 PolarHBondContact O-ND2 3.11Å; A824-K948 HydrophobicContact CB-CB 3.82Å
825	V	97.4	Very high	96.4	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-68.3	118.3	176.8	175.5	0	0	0	0	109.7	R796 K821 A822 H823 P827 N899 I901 L935	R796-V825 PolarHBondContact NH2-O 2.71Å; K821-V825 WeakPolarHBondContact O-CG2 3.25Å; K821-V825 PolarHBondContact O-N 2.79Å; K821-V825 VanDerWaalsContact O-N 3.16Å; A822-V825 PolarHBondContact O-N 3.4Å; H823-V825 VanDerWaalsContact C-N 3.31Å; V825-P827 WeakPolarHBondContact O-CD 3.5Å; V825-N899 WeakPolarHBondContact CA-O 3.26Å; V825-N899 PolarHBondContact N-ND2 2.73Å; V825-I901 HydrophobicContact CG1-CB 4.43Å; V825-I901 HydrophobicContact CG1-CD1 4.16Å; V825-I901 HydrophobicContact CG1-CG1 4.03Å; V825-I901 HydrophobicContact CG1-CG2 3.77Å; V825-L935 HydrophobicContact CB-CD1 4.09Å; V825-L935 HydrophobicContact CG1-CD1 4.06Å; V825-L935 HydrophobicContact CG2-CD1 3.89Å
826	L	96.1	Very high	96.1	Very high	73 Å²	73	41.8 Å²	41.8	38%	0.382	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	118.4	-177.4	-69.3	176.8	0	0	0	111.4	A824 N899 Q900 I901	A824-L826 PolarHBondContact O-N 2.94Å; L826-N899 PolarHBondContact N-O 2.83Å; L826-Q900 HydrophobicContact CB-CG 3.99Å; L826-Q900 VanDerWaalsContact O-CA 3.24Å; L826-Q900 WeakPolarHBondContact O-CA 3.28Å; L826-I901 PolarHBondContact O-N 3.31Å
827	P	95.6	Very high	95.9	Very high	44 Å²	44	42.2 Å²	42.2	29%	0.286	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	146.1	175.4	31	-32.5	0	0	0	112.8	I792 V825 I901	I792-P827 HydrophobicContact CD1-CB 3.6Å; I792-P827 HydrophobicContact CD1-CG 4.48Å; I792-P827 HydrophobicContact CG1-CB 4.46Å; I792-P827 HydrophobicContact CG2-CB 4.02Å; I792-P827 HydrophobicContact CG2-CG 4.17Å; V825-P827 WeakPolarHBondContact O-CD 3.5Å; P827-I901 CarbonylContact C-O 3.55Å; P827-I901 HydrophobicContact CB-CD1 4.29Å; P827-I901 HydrophobicContact CB-CG1 4.08Å
828	K	95.7	Very high	95.7	Very high	49 Å²	49	42.3 Å²	42.3	21%	0.213	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	124.5	174.8	-64.1	-64	177.9	-170.3	0	110.6	T881 W883 I901 R902 F903	K828-T881 WeakPolarHBondContact CE-O 3.33Å; K828-T881 PolarHBondContact NZ-O 2.91Å; K828-W883 HydrophobicContact CB-CB 4.42Å; K828-W883 HydrophobicContact CB-CD2 3.4Å; K828-W883 HydrophobicContact CB-CE3 3.48Å; K828-W883 VanDerWaalsContact CB-CE3 3.48Å; K828-W883 HydrophobicContact CB-CG 3.86Å; K828-W883 HydrophobicContact CB-CH2 4Å; K828-W883 HydrophobicContact CB-CZ2 3.92Å; K828-W883 HydrophobicContact CB-CZ3 3.79Å; K828-W883 HydrophobicContact CD-CB 4.33Å; K828-W883 HydrophobicContact CD-CD2 4.26Å; K828-W883 HydrophobicContact CD-CG 3.9Å; K828-W883 HydrophobicContact CG-CB 3.95Å; K828-W883 HydrophobicContact CG-CD2 3.89Å; K828-W883 HydrophobicContact CG-CE3 4.28Å; K828-W883 HydrophobicContact CG-CG 3.76Å; K828-I901 PolarHBondContact N-O 3.33Å; K828-R902 HydrophobicContact CB-CG 4.16Å; K828-R902 CarbonylContact O-C 3.58Å; K828-R902 WeakPolarHBondContact O-CA 3.27Å; K828-F903 PolarHBondContact O-N 3.34Å
829	V	95.3	Very high	95.4	Very high	20 Å²	20	46.2 Å²	46.2	12%	0.121	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	133.5	-167.1	-174.8	0	0	0	0	111	K785 M788 I792 Y831 F903 L908	K785-V829 HydrophobicContact CG-CG1 4.12Å; M788-V829 HydrophobicContact CB-CG1 3.7Å; M788-V829 HydrophobicContact CB-CG2 3.99Å; M788-V829 HydrophobicContact CG-CG1 3.72Å; I792-V829 HydrophobicContact CD1-CG2 3.93Å; V829-Y831 PolarHBondContact O-N 3.48Å; V829-Y831 VanDerWaalsContact O-N 3.07Å; V829-F903 CarbonylContact C-O 3.12Å; V829-F903 WeakPolarHBondContact CA-O 3.13Å; V829-F903 HydrophobicContact CG2-CD2 4.37Å; V829-L908 HydrophobicContact CG1-CD1 3.67Å
830	G	94.8	Very high	95.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	79.9	-81.2	176.5	0	0	0	0	0	112.6	F903 P904 A905	G830-F903 PolarHBondContact N-O 3.06Å; G830-P904 CarbonylContact O-C 3.54Å; G830-P904 WeakPolarHBondContact O-CA 3.42Å; G830-A905 PolarHBondContact O-N 3.39Å
831	Y	95.1	Very high	94.7	Very high	20 Å²	20	44.2 Å²	44.2	8%	0.078	23%	0.227	C	C	.	.			trans	-155.2	157.2	-171.2	58.6	-91.6	0	0	0	113.4	V776 F780 E782 K785 V829 I835 L836 W883	V776-Y831 HydrophobicContact CB-CD1 4.27Å; V776-Y831 HydrophobicContact CG1-CD1 3.48Å; V776-Y831 VanDerWaalsContact CG1-CD1 3.48Å; V776-Y831 HydrophobicContact CG1-CD2 4.41Å; V776-Y831 HydrophobicContact CG1-CE1 3.44Å; V776-Y831 VanDerWaalsContact CG1-CE1 3.44Å; V776-Y831 HydrophobicContact CG1-CE2 4.39Å; V776-Y831 HydrophobicContact CG1-CG 3.99Å; V776-Y831 HydrophobicContact CG2-CD1 3.69Å; V776-Y831 HydrophobicContact CG2-CE1 4.5Å; V776-Y831 HydrophobicContact CG2-CG 3.88Å; F780-Y831 AromaticContact CD1-CD1 3.97Å; F780-Y831 HydrophobicContact CD1-CD1 3.97Å; F780-Y831 AromaticContact CD1-CE1 3.63Å; F780-Y831 HydrophobicContact CD1-CE1 3.63Å; F780-Y831 HydrophobicContact CE1-CD1 4.16Å; F780-Y831 AromaticContact CE1-CE1 3.82Å; F780-Y831 HydrophobicContact CE1-CE1 3.82Å; E782-Y831 WeakPolarHBondContact OE1-CE1 3.32Å; E782-Y831 PolarHBondContact OE1-OH 3.34Å; K785-Y831 VanDerWaalsContact NZ-CZ 3.26Å; K785-Y831 PolarHBondContact NZ-OH 3.01Å; V829-Y831 PolarHBondContact O-N 3.48Å; V829-Y831 VanDerWaalsContact O-N 3.07Å; Y831-I835 HydrophobicContact CD2-CD1 4Å; Y831-I835 HydrophobicContact CD2-CG1 4.1Å; Y831-I835 HydrophobicContact CG-CD1 4.12Å; Y831-L836 HydrophobicContact CD2-CD2 4.42Å; Y831-L836 HydrophobicContact CD2-CG 4.41Å; Y831-L836 HydrophobicContact CE2-CD1 3.6Å; Y831-L836 HydrophobicContact CE2-CD2 3.87Å; Y831-L836 HydrophobicContact CE2-CG 3.73Å; Y831-W883 VanDerWaalsContact N-CZ2 3.33Å; Y831-W883 WeakPolarHBondContact O-CZ2 3.26Å; Y831-W883 PolarHBondContact O-NE1 2.76Å
832	P	94.2	Very high	94.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.239	C	C	.	.			trans	-70	132.3	171.7	-15.3	30	0	0	0	112.3	F834 I835 W883	P832-F834 HydrophobicContact CB-CD1 3.61Å; P832-F834 HydrophobicContact CB-CE1 3.21Å; P832-F834 HydrophobicContact CB-CE2 4.25Å; P832-F834 HydrophobicContact CB-CG 4.28Å; P832-F834 HydrophobicContact CB-CZ 3.57Å; P832-F834 HydrophobicContact CG-CE1 4.02Å; P832-F834 HydrophobicContact CG-CZ 3.97Å; P832-F834 PolarHBondContact O-N 3.47Å; P832-I835 HydrophobicContact CB-CG2 4.26Å; P832-I835 HydrophobicContact CG-CG2 4.41Å; P832-I835 VanDerWaalsContact O-CG1 3.3Å; P832-I835 WeakPolarHBondContact O-CG1 3.27Å; P832-I835 PolarHBondContact O-N 2.6Å; P832-I835 VanDerWaalsContact O-N 3.12Å; P832-W883 WeakPolarHBondContact CB-O 3.42Å; P832-W883 HydrophobicContact CG-CD2 4.31Å; P832-W883 HydrophobicContact CG-CG 4.28Å; P832-W883 WeakPolarHBondContact CG-O 3.24Å
833	E	92.6	Very high	93.9	Very high	153 Å²	153	52.1 Å²	52.1	72%	0.715	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-59.8	-32.8	-174.9	-68.2	-176.8	179.8	0	0	112.9	I835 L836	E833-I835 PolarHBondContact O-N 3.41Å; E833-I835 VanDerWaalsContact O-N 3.09Å; E833-L836 WeakPolarHBondContact O-CB 3.29Å; E833-L836 PolarHBondContact O-N 2.9Å
834	F	92.7	Very high	93.3	Very high	31 Å²	31	49 Å²	49	14%	0.136	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-60.8	-20.7	-180	65.8	-107.2	0	0	0	113.7	Y769 P832 L836 N837 Y840 W883 F884	Y769-F834 AromaticContact CD1-CE2 3.84Å; Y769-F834 HydrophobicContact CD1-CE2 3.84Å; Y769-F834 HydrophobicContact CD1-CZ 4.16Å; Y769-F834 HydrophobicContact CD2-CE2 4.24Å; Y769-F834 AromaticContact CE1-CE2 3.82Å; Y769-F834 HydrophobicContact CE1-CE2 3.82Å; Y769-F834 AromaticContact CE1-CZ 3.7Å; Y769-F834 HydrophobicContact CE1-CZ 3.7Å; Y769-F834 HydrophobicContact CE2-CE2 4.21Å; Y769-F834 HydrophobicContact CE2-CZ 4.46Å; Y769-F834 HydrophobicContact CG-CE2 4.07Å; Y769-F834 AromaticContact CZ-CZ 3.87Å; P832-F834 HydrophobicContact CB-CD1 3.61Å; P832-F834 HydrophobicContact CB-CE1 3.21Å; P832-F834 HydrophobicContact CB-CE2 4.25Å; P832-F834 HydrophobicContact CB-CG 4.28Å; P832-F834 HydrophobicContact CB-CZ 3.57Å; P832-F834 HydrophobicContact CG-CE1 4.02Å; P832-F834 HydrophobicContact CG-CZ 3.97Å; P832-F834 PolarHBondContact O-N 3.47Å; F834-L836 PolarHBondContact O-N 2.8Å; F834-N837 WeakPolarHBondContact O-CB 3.35Å; F834-N837 PolarHBondContact O-N 2.8Å; F834-N837 VanDerWaalsContact O-N 3.13Å; F834-Y840 HydrophobicContact CB-CD1 4.48Å; F834-Y840 AromaticContact CD2-CD1 3.63Å; F834-Y840 HydrophobicContact CD2-CD1 3.63Å; F834-Y840 AromaticContact CD2-CE1 3.21Å; F834-Y840 HydrophobicContact CD2-CE1 3.21Å; F834-Y840 HydrophobicContact CD2-CG 4.49Å; F834-Y840 AromaticContact CD2-CZ 3.78Å; F834-Y840 HydrophobicContact CE2-CD1 4.35Å; F834-Y840 AromaticContact CE2-CE1 3.55Å; F834-Y840 HydrophobicContact CE2-CE1 3.55Å; F834-Y840 HydrophobicContact CG-CD1 4.46Å; F834-Y840 HydrophobicContact CG-CE1 4.16Å; F834-W883 WeakPolarHBondContact CE1-O 3.31Å; F834-F884 AromaticContact CE1-CD1 3.92Å; F834-F884 HydrophobicContact CE1-CD1 3.92Å; F834-F884 AromaticContact CE1-CE1 3.77Å; F834-F884 HydrophobicContact CE1-CE1 3.77Å; F834-F884 AromaticContact CZ-CD1 3.73Å; F834-F884 HydrophobicContact CZ-CD1 3.73Å; F834-F884 AromaticContact CZ-CE1 3.91Å; F834-F884 HydrophobicContact CZ-CE1 3.91Å
835	I	93.9	Very high	93	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-71.9	-16.2	177.9	82.2	180	0	0	0	112.5	Y769 R773 V776 Y831 P832 E833 L841 P887	Y769-I835 HydrophobicContact CD1-CG2 3.71Å; Y769-I835 HydrophobicContact CG-CG2 4.14Å; R773-I835 WeakPolarHBondContact CD-O 3.45Å; V776-I835 HydrophobicContact CG2-CD1 4.38Å; Y831-I835 HydrophobicContact CD2-CD1 4Å; Y831-I835 HydrophobicContact CD2-CG1 4.1Å; Y831-I835 HydrophobicContact CG-CD1 4.12Å; P832-I835 HydrophobicContact CB-CG2 4.26Å; P832-I835 HydrophobicContact CG-CG2 4.41Å; P832-I835 VanDerWaalsContact O-CG1 3.3Å; P832-I835 WeakPolarHBondContact O-CG1 3.27Å; P832-I835 PolarHBondContact O-N 2.6Å; P832-I835 VanDerWaalsContact O-N 3.12Å; E833-I835 PolarHBondContact O-N 3.41Å; E833-I835 VanDerWaalsContact O-N 3.09Å; I835-L841 HydrophobicContact CB-CD2 4.49Å; I835-L841 WeakPolarHBondContact O-CD1 3.37Å; I835-P887 HydrophobicContact CD1-CG 3.69Å
836	L	92.4	Very high	92.6	Very high	66 Å²	66	54.1 Å²	54.1	35%	0.346	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-81.7	-7.9	174.3	-55.4	-175	0	0	0	112.2	R773 Y831 E833 F834 D838	R773-L836 VanDerWaalsContact NH1-CD2 3.33Å; Y831-L836 HydrophobicContact CD2-CD2 4.42Å; Y831-L836 HydrophobicContact CD2-CG 4.41Å; Y831-L836 HydrophobicContact CE2-CD1 3.6Å; Y831-L836 HydrophobicContact CE2-CD2 3.87Å; Y831-L836 HydrophobicContact CE2-CG 3.73Å; E833-L836 WeakPolarHBondContact O-CB 3.29Å; E833-L836 PolarHBondContact O-N 2.9Å; F834-L836 PolarHBondContact O-N 2.8Å; L836-D838 PolarHBondContact O-N 2.68Å
837	N	94.3	Very high	92.3	Very high	85 Å²	85	57.5 Å²	57.5	46%	0.455	29%	0.287	S	S	.	.			trans	-88.4	105.2	175.9	-175.8	-20.5	0	0	0	110	F834 T839 Y840 L841	F834-N837 WeakPolarHBondContact O-CB 3.35Å; F834-N837 PolarHBondContact O-N 2.8Å; F834-N837 VanDerWaalsContact O-N 3.13Å; N837-T839 VanDerWaalsContact C-N 3.26Å; N837-T839 PolarHBondContact O-N 3.01Å; N837-T839 WeakPolarHBondContact OD1-CB 3.29Å; N837-T839 PolarHBondContact OD1-N 2.78Å; N837-T839 VanDerWaalsContact OD1-N 3.07Å; N837-Y840 WeakPolarHBondContact O-CB 3.5Å; N837-Y840 PolarHBondContact O-N 3.27Å; N837-Y840 VanDerWaalsContact O-N 3.16Å; N837-Y840 PolarHBondContact OD1-N 2.89Å; N837-L841 PolarHBondContact O-N 2.6Å
838	D	92.9	Very high	92.2	Very high	75 Å²	75	55.5 Å²	55.5	40%	0.401	27%	0.274	S	S	.	.	H	α-helix	trans	-59.5	-34.6	-178	-66.8	-9.7	0	0	0	112.9	L483 R773 L836 T842	L483-D838 HydrophobicContact CD1-CB 3.77Å; R773-D838 IonicContact CZ-OD1 3.4Å; R773-D838 IonicContact NE-OD1 3.45Å; R773-D838 IonicContact NH2-OD1 2.74Å; R773-D838 PolarHBondContact NH2-OD1 2.95Å; R773-D838 VanDerWaalsContact NH2-OD1 3.08Å; L836-D838 PolarHBondContact O-N 2.68Å; D838-T842 WeakPolarHBondContact O-CB 3.36Å; D838-T842 PolarHBondContact O-N 3.05Å; D838-T842 VanDerWaalsContact O-N 3.1Å; D838-T842 PolarHBondContact O-OG1 3.07Å
839	T	92.6	Very high	92.2	Very high	83 Å²	83	60.6 Å²	60.6	51%	0.509	30%	0.298	S	S	.	.	H	α-helix	trans	-64.8	-46.7	176.5	-56	0	0	0	0	110.7	N837 L841 T842 E843	N837-T839 VanDerWaalsContact C-N 3.26Å; N837-T839 PolarHBondContact O-N 3.01Å; N837-T839 WeakPolarHBondContact OD1-CB 3.29Å; N837-T839 PolarHBondContact OD1-N 2.78Å; N837-T839 VanDerWaalsContact OD1-N 3.07Å; T839-L841 PolarHBondContact O-N 3.15Å; T839-T842 PolarHBondContact O-N 3.32Å; T839-E843 HydrophobicContact CG2-CG 4.39Å; T839-E843 WeakPolarHBondContact CG2-OE1 3.13Å; T839-E843 WeakPolarHBondContact O-CG 3.23Å; T839-E843 PolarHBondContact O-N 3.05Å
840	Y	90.9	Very high	92.2	Very high	73 Å²	73	60.8 Å²	60.8	29%	0.286	30%	0.298	S	S	.	.	H	α-helix	trans	-58.8	-47.8	179.7	178.4	-90.3	0	0	0	111.8	F834 N837 T842 E843 D844	F834-Y840 HydrophobicContact CB-CD1 4.48Å; F834-Y840 AromaticContact CD2-CD1 3.63Å; F834-Y840 HydrophobicContact CD2-CD1 3.63Å; F834-Y840 AromaticContact CD2-CE1 3.21Å; F834-Y840 HydrophobicContact CD2-CE1 3.21Å; F834-Y840 HydrophobicContact CD2-CG 4.49Å; F834-Y840 AromaticContact CD2-CZ 3.78Å; F834-Y840 HydrophobicContact CE2-CD1 4.35Å; F834-Y840 AromaticContact CE2-CE1 3.55Å; F834-Y840 HydrophobicContact CE2-CE1 3.55Å; F834-Y840 HydrophobicContact CG-CD1 4.46Å; F834-Y840 HydrophobicContact CG-CE1 4.16Å; N837-Y840 WeakPolarHBondContact O-CB 3.5Å; N837-Y840 PolarHBondContact O-N 3.27Å; N837-Y840 VanDerWaalsContact O-N 3.16Å; N837-Y840 PolarHBondContact OD1-N 2.89Å; Y840-T842 VanDerWaalsContact C-N 3.28Å; Y840-T842 PolarHBondContact O-N 3.27Å; Y840-E843 PolarHBondContact O-N 3.37Å; Y840-D844 WeakPolarHBondContact O-CB 3.27Å; Y840-D844 PolarHBondContact O-N 2.78Å
841	L	91	Very high	92.3	Very high	1 Å²	1	65 Å²	65	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-65	-32.8	179	-71.8	-175.9	0	0	0	113.1	L483 A485 Y769 R773 I835 N837 T839	L483-L841 HydrophobicContact CD2-CB 3.94Å; L483-L841 HydrophobicContact CD2-CD1 3.64Å; L483-L841 HydrophobicContact CD2-CG 4.45Å; A485-L841 HydrophobicContact CB-CB 4.05Å; Y769-L841 VanDerWaalsContact CB-CD2 3.42Å; R773-L841 HydrophobicContact CB-CD1 3.78Å; R773-L841 HydrophobicContact CG-CD1 3.81Å; I835-L841 HydrophobicContact CB-CD2 4.49Å; I835-L841 WeakPolarHBondContact O-CD1 3.37Å; N837-L841 PolarHBondContact O-N 2.6Å; T839-L841 PolarHBondContact O-N 3.15Å
842	T	89	Confident	92.2	Very high	42 Å²	42	67.9 Å²	67.9	26%	0.258	33%	0.334	S	S	.	.	H	α-helix	trans	-70.7	-46.4	178.5	-58.6	0	0	0	0	110.8	L483 D838 T839 Y840 L845 E846	L483-T842 WeakPolarHBondContact CD1-OG1 3.42Å; D838-T842 WeakPolarHBondContact O-CB 3.36Å; D838-T842 PolarHBondContact O-N 3.05Å; D838-T842 VanDerWaalsContact O-N 3.1Å; D838-T842 PolarHBondContact O-OG1 3.07Å; T839-T842 PolarHBondContact O-N 3.32Å; Y840-T842 VanDerWaalsContact C-N 3.28Å; Y840-T842 PolarHBondContact O-N 3.27Å; T842-L845 PolarHBondContact O-N 3.16Å; T842-E846 PolarHBondContact O-N 3.5Å; T842-E846 VanDerWaalsContact O-N 3.16Å
843	E	89.5	Confident	92.3	Very high	127 Å²	127	75.3 Å²	75.3	59%	0.593	37%	0.367	S	S	*	.	H	α-helix	trans	-65.2	-41.6	177.3	-70.3	176.8	-178.2	0	0	112.1	T839 Y840 L845 E846	T839-E843 HydrophobicContact CG2-CG 4.39Å; T839-E843 WeakPolarHBondContact CG2-OE1 3.13Å; T839-E843 WeakPolarHBondContact O-CG 3.23Å; T839-E843 PolarHBondContact O-N 3.05Å; Y840-E843 PolarHBondContact O-N 3.37Å; E843-L845 PolarHBondContact O-N 3.47Å; E843-E846 WeakPolarHBondContact O-CB 3.16Å; E843-E846 PolarHBondContact O-N 3.41Å; E843-E846 VanDerWaalsContact O-N 3.15Å
844	D	86.8	Confident	92.4	Very high	52 Å²	52	71.1 Å²	71.1	28%	0.278	35%	0.349	S	S	.	.	H	α-helix	trans	-57.7	-34.8	179.7	-174.4	61.9	0	0	0	112.3	Y840 F865	Y840-D844 WeakPolarHBondContact O-CB 3.27Å; Y840-D844 PolarHBondContact O-N 2.78Å; D844-F865 WeakPolarHBondContact O-CE2 3.47Å; D844-F865 WeakPolarHBondContact O-CZ 3.42Å
845	L	90.8	Very high	92.5	Very high	5 Å²	5	70 Å²	70	3%	0.026	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	8.7	-178.5	-56.4	-175.9	0	0	0	113.5	A485 K488 L767 A770 T842 E843 Q847 L848 F865	A485-L845 HydrophobicContact CB-CD1 3.77Å; K488-L845 HydrophobicContact CD-CB 4.26Å; K488-L845 PolarHBondContact NZ-O 2.94Å; L767-L845 HydrophobicContact CD2-CD1 4.2Å; L767-L845 HydrophobicContact CD2-CD2 3.9Å; A770-L845 HydrophobicContact CB-CD1 4.05Å; T842-L845 PolarHBondContact O-N 3.16Å; E843-L845 PolarHBondContact O-N 3.47Å; L845-Q847 VanDerWaalsContact C-N 3.3Å; L845-Q847 PolarHBondContact O-N 2.73Å; L845-L848 HydrophobicContact CD2-CD1 3.97Å; L845-L848 PolarHBondContact O-N 3.02Å; L845-L848 VanDerWaalsContact O-N 3.11Å; L845-F865 HydrophobicContact CD2-CE1 4.47Å
846	E	89.6	Confident	92.6	Very high	137 Å²	137	70.6 Å²	70.6	64%	0.64	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-44.9	-172.2	-173	178.9	-163.4	0	0	112	K488 T842 E843 L848	K488-E846 PolarHBondContact NZ-O 3.39Å; T842-E846 PolarHBondContact O-N 3.5Å; T842-E846 VanDerWaalsContact O-N 3.16Å; E843-E846 WeakPolarHBondContact O-CB 3.16Å; E843-E846 PolarHBondContact O-N 3.41Å; E843-E846 VanDerWaalsContact O-N 3.15Å; E846-L848 PolarHBondContact O-N 2.82Å; E846-L848 VanDerWaalsContact O-N 3.12Å
847	Q	88.4	Confident	92.7	Very high	144 Å²	144	68.6 Å²	68.6	67%	0.673	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-9.2	-176.5	-58.8	-175.4	1.6	0	0	115	L845	L845-Q847 VanDerWaalsContact C-N 3.3Å; L845-Q847 PolarHBondContact O-N 2.73Å
848	L	93.7	Very high	92.9	Very high	2 Å²	2	64.7 Å²	64.7	1%	0.01	32%	0.32	C	S	.	.			trans	-95.9	123.4	-178.6	-64.2	174.5	0	0	0	110.8	K488 L767 L845 E846 F850 Q861 F865	K488-L848 WeakPolarHBondContact CE-O 2.97Å; K488-L848 PolarHBondContact NZ-O 2.88Å; L767-L848 HydrophobicContact CD2-CD1 3.95Å; L845-L848 HydrophobicContact CD2-CD1 3.97Å; L845-L848 PolarHBondContact O-N 3.02Å; L845-L848 VanDerWaalsContact O-N 3.11Å; E846-L848 PolarHBondContact O-N 2.82Å; E846-L848 VanDerWaalsContact O-N 3.12Å; L848-F850 HydrophobicContact CB-CE1 4.33Å; L848-F850 HydrophobicContact CB-CE2 4.33Å; L848-F850 HydrophobicContact CB-CZ 4.02Å; L848-F850 HydrophobicContact CD1-CE2 4.48Å; L848-F850 HydrophobicContact CD1-CZ 3.91Å; L848-F850 HydrophobicContact CD2-CE1 4.34Å; L848-F850 HydrophobicContact CD2-CZ 4.36Å; L848-F850 HydrophobicContact CG-CZ 4.33Å; L848-Q861 HydrophobicContact CD2-CG 3.8Å; L848-F865 HydrophobicContact CD1-CD1 4.11Å; L848-F865 HydrophobicContact CD1-CE1 4.46Å; L848-F865 HydrophobicContact CD1-CG 4.19Å; L848-F865 HydrophobicContact CD2-CB 3.75Å; L848-F865 HydrophobicContact CD2-CG 4.11Å; L848-F865 HydrophobicContact CG-CB 4.45Å; L848-F865 HydrophobicContact CG-CD2 4.43Å; L848-F865 HydrophobicContact CG-CG 4.28Å
849	E	95	Very high	93	Very high	157 Å²	157	61.3 Å²	61.3	73%	0.734	30%	0.302	S	S	*	.			trans	-126.7	97.5	177	-68.9	-172	169.8	0	0	108.7	Q861	E849-Q861 PolarHBondContact O-NE2 3.4Å; E849-Q861 PolarHBondContact O-OE1 2.96Å
850	F	96.5	Very high	93.1	Very high	24 Å²	24	58.9 Å²	58.9	11%	0.105	29%	0.286	C	S	.	.			trans	-88.3	145.5	-176.7	-60.8	-45.5	0	0	0	112.6	K488 I491 L492 L767 L848 N858 T862	K488-F850 HydrophobicContact CB-CD2 3.92Å; K488-F850 HydrophobicContact CB-CE2 4.13Å; K488-F850 HydrophobicContact CG-CD2 4.48Å; K488-F850 WeakPolarHBondContact O-CD2 2.97Å; I491-F850 HydrophobicContact CB-CB 4.45Å; I491-F850 HydrophobicContact CG2-CB 3.55Å; L492-F850 HydrophobicContact CB-CD2 4.09Å; L492-F850 HydrophobicContact CB-CE2 4.24Å; L492-F850 HydrophobicContact CD1-CD1 4.33Å; L492-F850 HydrophobicContact CD1-CE1 4.31Å; L492-F850 HydrophobicContact CD1-CG 4.47Å; L492-F850 HydrophobicContact CD1-CZ 4.44Å; L492-F850 HydrophobicContact CD2-CE2 4.16Å; L492-F850 HydrophobicContact CD2-CZ 4.12Å; L767-F850 HydrophobicContact CD1-CE2 3.83Å; L767-F850 HydrophobicContact CD1-CZ 4.49Å; L767-F850 HydrophobicContact CD2-CE2 4.19Å; L767-F850 HydrophobicContact CD2-CZ 4.23Å; L848-F850 HydrophobicContact CB-CE1 4.33Å; L848-F850 HydrophobicContact CB-CE2 4.33Å; L848-F850 HydrophobicContact CB-CZ 4.02Å; L848-F850 HydrophobicContact CD1-CE2 4.48Å; L848-F850 HydrophobicContact CD1-CZ 3.91Å; L848-F850 HydrophobicContact CD2-CE1 4.34Å; L848-F850 HydrophobicContact CD2-CZ 4.36Å; L848-F850 HydrophobicContact CG-CZ 4.33Å; F850-N858 VanDerWaalsContact CA-OD1 3.32Å; F850-N858 WeakPolarHBondContact CA-OD1 3.24Å; F850-N858 HydrophobicContact CD1-CB 3.72Å; F850-N858 HydrophobicContact CE1-CB 4.23Å; F850-N858 HydrophobicContact CG-CB 4.49Å; F850-T862 WeakPolarHBondContact CE1-OG1 3.29Å
851	N	95.7	Very high	93.3	Very high	88 Å²	88	58.4 Å²	58.4	47%	0.471	29%	0.286	S	S	.	.			trans	-116	126	174.6	-174.8	-27.8	0	0	0	110.1	K853 D854 N858	N851-K853 PolarHBondContact O-N 2.91Å; N851-K853 WeakPolarHBondContact OD1-CB 3.45Å; N851-K853 PolarHBondContact OD1-N 3.37Å; N851-D854 HydrophobicContact CB-CB 4.28Å; N851-D854 PolarHBondContact O-N 2.88Å; N851-D854 VanDerWaalsContact O-N 3.11Å; N851-N858 PolarHBondContact N-OD1 3.24Å; N851-N858 PolarHBondContact O-ND2 3.04Å
852	E	94.7	Very high	93.5	Very high	81 Å²	81	58.3 Å²	58.3	38%	0.379	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.9	178.6	-68.1	-167.2	173.9	0	0	113.6	I491 R494 S495	I491-E852 HydrophobicContact CB-CG 4.27Å; I491-E852 HydrophobicContact CG1-CG 4.21Å; I491-E852 HydrophobicContact CG2-CG 3.75Å; R494-E852 HydrophobicContact CB-CG 4.47Å; R494-E852 VanDerWaalsContact CD-OE1 3.25Å; R494-E852 WeakPolarHBondContact CD-OE1 3.25Å; R494-E852 IonicContact CZ-OE1 3.26Å; R494-E852 IonicContact NH1-OE1 3.06Å; R494-E852 PolarHBondContact NH1-OE1 3.44Å; S495-E852 VanDerWaalsContact CA-O 3.28Å; S495-E852 WeakPolarHBondContact CA-O 3.48Å; S495-E852 WeakPolarHBondContact CB-O 3.42Å
853	K	94.8	Very high	93.7	Very high	156 Å²	156	57.5 Å²	57.5	68%	0.678	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	1	-179.4	-59.7	-176.3	-178.9	-179.4	0	114.5	I501 N851	I501-K853 HydrophobicContact CD1-CB 3.93Å; I501-K853 HydrophobicContact CD1-CG 4.01Å; N851-K853 PolarHBondContact O-N 2.91Å; N851-K853 WeakPolarHBondContact OD1-CB 3.45Å; N851-K853 PolarHBondContact OD1-N 3.37Å
854	D	94.9	Very high	93.8	Very high	64 Å²	64	57.3 Å²	57.3	34%	0.342	28%	0.277	S	S	.	.			trans	-134.2	72.1	-177.3	-172.1	10.5	0	0	0	112.4	N851 Y856 G857 N858	N851-D854 HydrophobicContact CB-CB 4.28Å; N851-D854 PolarHBondContact O-N 2.88Å; N851-D854 VanDerWaalsContact O-N 3.11Å; D854-Y856 VanDerWaalsContact C-N 3.35Å; D854-Y856 PolarHBondContact O-N 3.47Å; D854-G857 PolarHBondContact O-N 2.73Å; D854-G857 WeakPolarHBondContact OD1-CA 3.22Å; D854-G857 PolarHBondContact OD1-N 2.85Å; D854-G857 WeakPolarHBondContact OD2-CA 3.48Å; D854-N858 WeakPolarHBondContact O-CB 3.23Å; D854-N858 PolarHBondContact O-N 3.38Å; D854-N858 PolarHBondContact O-ND2 2.91Å; D854-N858 PolarHBondContact O-OD1 3Å
855	Y	95.8	Very high	94.1	Very high	7 Å²	7	56.9 Å²	56.9	3%	0.027	27%	0.273	C	S	.	.	H	α-helix	trans	-59.9	-42.2	177.6	177.7	-119.5	0	0	0	112.9	S495 C496 L502 T730 Y762 N858 V859	S495-Y855 WeakPolarHBondContact O-CB 2.9Å; C496-Y855 VanDerWaalsContact CA-CD2 3.45Å; C496-Y855 HydrophobicContact CB-CD2 3.59Å; C496-Y855 HydrophobicContact CB-CE2 3.37Å; C496-Y855 HydrophobicContact CB-CG 4.36Å; L502-Y855 HydrophobicContact CD1-CD1 4.34Å; L502-Y855 HydrophobicContact CD2-CD1 3.87Å; L502-Y855 HydrophobicContact CD2-CG 4.47Å; T730-Y855 HydrophobicContact CG2-CE1 4.42Å; Y762-Y855 AromaticContact CD1-CE2 3.93Å; Y762-Y855 HydrophobicContact CD1-CE2 3.93Å; Y762-Y855 HydrophobicContact CE1-CE2 4.11Å; Y855-N858 PolarHBondContact O-N 2.74Å; Y855-V859 HydrophobicContact CD1-CG2 4.34Å; Y855-V859 HydrophobicContact CD2-CG2 4.01Å; Y855-V859 HydrophobicContact CE1-CG2 3.96Å; Y855-V859 HydrophobicContact CE2-CG2 3.57Å; Y855-V859 HydrophobicContact CG-CG2 4.38Å; Y855-V859 WeakPolarHBondContact O-CG2 3.38Å; Y855-V859 PolarHBondContact O-N 2.8Å
856	Y	95.3	Very high	94	Very high	14 Å²	14	59 Å²	59	6%	0.055	28%	0.284	C	S	.	.	H	α-helix	trans	-65.5	-43.3	-179.2	-170.2	-82.8	0	0	0	111.1	P509 M510 M513 L731 D854 V859 M860	P509-Y856 HydrophobicContact CB-CD1 3.42Å; P509-Y856 VanDerWaalsContact CB-CD1 3.42Å; P509-Y856 HydrophobicContact CB-CD2 3.87Å; P509-Y856 HydrophobicContact CB-CE1 3.91Å; P509-Y856 HydrophobicContact CB-CE2 4.3Å; P509-Y856 HydrophobicContact CB-CG 3.4Å; P509-Y856 VanDerWaalsContact CB-CG 3.4Å; P509-Y856 HydrophobicContact CG-CG 4.27Å; M510-Y856 HydrophobicContact CB-CE2 4.41Å; M513-Y856 PolarHBondContact SD-OH 3.42Å; L731-Y856 HydrophobicContact CD2-CD2 3.95Å; L731-Y856 HydrophobicContact CD2-CE2 3.88Å; D854-Y856 VanDerWaalsContact C-N 3.35Å; D854-Y856 PolarHBondContact O-N 3.47Å; Y856-V859 PolarHBondContact O-N 2.02Å; Y856-M860 HydrophobicContact CD1-CG 3.91Å; Y856-M860 HydrophobicContact CE1-CG 3.62Å; Y856-M860 HydrophobicContact CE1-SD 4.27Å; Y856-M860 WeakPolarHBondContact O-CG 3.28Å; Y856-M860 PolarHBondContact O-N 3.25Å
857	G	95.6	Very high	94	Very high	23 Å²	23	52.5 Å²	52.5	24%	0.237	25%	0.253	C	S	.	.	H	α-helix	trans	-62	-43.8	173.9	0	0	0	0	0	112.5	D854 V859 M860 Q861	D854-G857 PolarHBondContact O-N 2.73Å; D854-G857 WeakPolarHBondContact OD1-CA 3.22Å; D854-G857 PolarHBondContact OD1-N 2.85Å; D854-G857 WeakPolarHBondContact OD2-CA 3.48Å; G857-V859 VanDerWaalsContact C-N 3.32Å; G857-V859 PolarHBondContact O-N 3.39Å; G857-M860 PolarHBondContact O-N 3.46Å; G857-Q861 PolarHBondContact O-N 3.17Å
858	N	97	Very high	94	Very high	4 Å²	4	48 Å²	48	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-58	-45.7	174.1	-65.3	-18.9	0	0	0	111	L492 S495 F850 N851 D854 Y855 M860 Q861 T862	L492-N858 HydrophobicContact CD1-CB 3.57Å; S495-N858 WeakPolarHBondContact CB-ND2 3.27Å; S495-N858 PolarHBondContact OG-ND2 3.13Å; F850-N858 VanDerWaalsContact CA-OD1 3.32Å; F850-N858 WeakPolarHBondContact CA-OD1 3.24Å; F850-N858 HydrophobicContact CD1-CB 3.72Å; F850-N858 HydrophobicContact CE1-CB 4.23Å; F850-N858 HydrophobicContact CG-CB 4.49Å; N851-N858 PolarHBondContact N-OD1 3.24Å; N851-N858 PolarHBondContact O-ND2 3.04Å; D854-N858 WeakPolarHBondContact O-CB 3.23Å; D854-N858 PolarHBondContact O-N 3.38Å; D854-N858 PolarHBondContact O-ND2 2.91Å; D854-N858 PolarHBondContact O-OD1 3Å; Y855-N858 PolarHBondContact O-N 2.74Å; N858-M860 VanDerWaalsContact C-N 3.32Å; N858-M860 PolarHBondContact O-N 3.4Å; N858-Q861 PolarHBondContact O-N 2.7Å; N858-T862 WeakPolarHBondContact O-CB 3.44Å; N858-T862 PolarHBondContact O-N 2.9Å; N858-T862 PolarHBondContact O-OG1 2.96Å
859	V	95.7	Very high	93.7	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.018	25%	0.248	C	C	.	.	H	α-helix	trans	-58.4	-45.8	176.7	169.5	0	0	0	0	111.4	T730 Y762 Y855 Y856 G857 T862 L863	T730-V859 HydrophobicContact CG2-CG1 4.33Å; T730-V859 HydrophobicContact CG2-CG2 4.46Å; Y762-V859 HydrophobicContact CE1-CG2 3.86Å; Y762-V859 HydrophobicContact CE2-CG1 4.33Å; Y762-V859 HydrophobicContact CE2-CG2 4.09Å; Y762-V859 VanDerWaalsContact OH-CA 3.24Å; Y762-V859 WeakPolarHBondContact OH-CA 3.47Å; Y855-V859 HydrophobicContact CD1-CG2 4.34Å; Y855-V859 HydrophobicContact CD2-CG2 4.01Å; Y855-V859 HydrophobicContact CE1-CG2 3.96Å; Y855-V859 HydrophobicContact CE2-CG2 3.57Å; Y855-V859 HydrophobicContact CG-CG2 4.38Å; Y855-V859 WeakPolarHBondContact O-CG2 3.38Å; Y855-V859 PolarHBondContact O-N 2.8Å; Y856-V859 PolarHBondContact O-N 2.02Å; G857-V859 VanDerWaalsContact C-N 3.32Å; G857-V859 PolarHBondContact O-N 3.39Å; V859-T862 PolarHBondContact O-N 3.24Å; V859-L863 HydrophobicContact CG1-CD1 3.84Å; V859-L863 HydrophobicContact CG1-CG 4.42Å; V859-L863 VanDerWaalsContact O-CG 3.26Å; V859-L863 WeakPolarHBondContact O-CG 3.41Å; V859-L863 PolarHBondContact O-N 3.39Å
860	M	94.6	Very high	93.4	Very high	33 Å²	33	44.2 Å²	44.2	16%	0.163	22%	0.221	C	C	.	.	H	α-helix	trans	-65.7	-39.3	179.8	-73.7	-50.6	-47.1	0	0	112.7	Q551 H552 K727 Y856 G857 N858 L863 K864	Q551-M860 WeakPolarHBondContact O-CE 3.42Å; H552-M860 WeakPolarHBondContact CE1-CE 3.3Å; H552-M860 WeakPolarHBondContact ND1-CE 3.49Å; K727-M860 HydrophobicContact CD-SD 4.45Å; Y856-M860 HydrophobicContact CD1-CG 3.91Å; Y856-M860 HydrophobicContact CE1-CG 3.62Å; Y856-M860 HydrophobicContact CE1-SD 4.27Å; Y856-M860 WeakPolarHBondContact O-CG 3.28Å; Y856-M860 PolarHBondContact O-N 3.25Å; G857-M860 PolarHBondContact O-N 3.46Å; N858-M860 VanDerWaalsContact C-N 3.32Å; N858-M860 PolarHBondContact O-N 3.4Å; M860-L863 PolarHBondContact O-N 3.37Å; M860-L863 HydrophobicContact SD-CD1 4.38Å; M860-K864 PolarHBondContact O-N 2.98Å
861	Q	95	Very high	93.2	Very high	62 Å²	62	43.3 Å²	43.3	29%	0.29	22%	0.217	S	C	.	.	H	α-helix	trans	-65.2	-45.2	175.7	-165.9	-172.3	68.6	0	0	111.2	L848 E849 G857 N858 L863 K864 F865	L848-Q861 HydrophobicContact CD2-CG 3.8Å; E849-Q861 PolarHBondContact O-NE2 3.4Å; E849-Q861 PolarHBondContact O-OE1 2.96Å; G857-Q861 PolarHBondContact O-N 3.17Å; N858-Q861 PolarHBondContact O-N 2.7Å; Q861-L863 PolarHBondContact O-N 3.46Å; Q861-K864 PolarHBondContact O-N 2.95Å; Q861-F865 PolarHBondContact O-N 2.97Å
862	T	95.1	Very high	92.9	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.5	-46.7	174.4	-60.3	0	0	0	0	111.8	Y762 F850 N858 V859 K864 F865 I866	Y762-T862 WeakPolarHBondContact OH-CB 3.29Å; F850-T862 WeakPolarHBondContact CE1-OG1 3.29Å; N858-T862 WeakPolarHBondContact O-CB 3.44Å; N858-T862 PolarHBondContact O-N 2.9Å; N858-T862 PolarHBondContact O-OG1 2.96Å; V859-T862 PolarHBondContact O-N 3.24Å; T862-K864 VanDerWaalsContact C-N 3.35Å; T862-K864 PolarHBondContact O-N 2.93Å; T862-F865 WeakPolarHBondContact O-CB 3.38Å; T862-F865 PolarHBondContact O-N 3.41Å; T862-I866 HydrophobicContact CG2-CD1 3.73Å; T862-I866 HydrophobicContact CG2-CG1 4.34Å; T862-I866 WeakPolarHBondContact O-CG1 3.27Å; T862-I866 PolarHBondContact O-N 2.93Å
863	L	93.5	Very high	92.7	Very high	25 Å²	25	40.1 Å²	40.1	13%	0.131	20%	0.201	C	C	.	.	H	α-helix	trans	-66.1	-37.7	-179.3	-70.4	169.4	0	0	0	112.4	S553 K727 V859 M860 Q861 F865 I866 A867	S553-L863 WeakPolarHBondContact CB-O 3.19Å; K727-L863 HydrophobicContact CD-CD1 4.32Å; V859-L863 HydrophobicContact CG1-CD1 3.84Å; V859-L863 HydrophobicContact CG1-CG 4.42Å; V859-L863 VanDerWaalsContact O-CG 3.26Å; V859-L863 WeakPolarHBondContact O-CG 3.41Å; V859-L863 PolarHBondContact O-N 3.39Å; M860-L863 PolarHBondContact O-N 3.37Å; M860-L863 HydrophobicContact SD-CD1 4.38Å; Q861-L863 PolarHBondContact O-N 3.46Å; L863-F865 VanDerWaalsContact C-N 3.32Å; L863-I866 PolarHBondContact O-N 2.76Å; L863-A867 VanDerWaalsContact O-CB 3.26Å; L863-A867 WeakPolarHBondContact O-CB 3.4Å; L863-A867 PolarHBondContact O-N 3.15Å
864	K	92.3	Very high	92.6	Very high	122 Å²	122	33 Å²	33	53%	0.53	17%	0.17	S	C	.	.	H	α-helix	trans	-62.2	-41.4	173.1	-175.7	-177.3	175	-170.1	0	111.4	M860 Q861 T862 A867	M860-K864 PolarHBondContact O-N 2.98Å; Q861-K864 PolarHBondContact O-N 2.95Å; T862-K864 VanDerWaalsContact C-N 3.35Å; T862-K864 PolarHBondContact O-N 2.93Å; K864-A867 WeakPolarHBondContact O-CB 3.48Å; K864-A867 PolarHBondContact O-N 2.89Å
865	F	91.3	Very high	92.5	Very high	44 Å²	44	36.2 Å²	36.2	19%	0.193	18%	0.178	C	C	.	.	H	α-helix	trans	-63.6	-50.7	175.5	174.2	-98.5	0	0	0	111.8	D844 L845 L848 Q861 T862 L863 A867 Q868 S869	D844-F865 WeakPolarHBondContact O-CE2 3.47Å; D844-F865 WeakPolarHBondContact O-CZ 3.42Å; L845-F865 HydrophobicContact CD2-CE1 4.47Å; L848-F865 HydrophobicContact CD1-CD1 4.11Å; L848-F865 HydrophobicContact CD1-CE1 4.46Å; L848-F865 HydrophobicContact CD1-CG 4.19Å; L848-F865 HydrophobicContact CD2-CB 3.75Å; L848-F865 HydrophobicContact CD2-CG 4.11Å; L848-F865 HydrophobicContact CG-CB 4.45Å; L848-F865 HydrophobicContact CG-CD2 4.43Å; L848-F865 HydrophobicContact CG-CG 4.28Å; Q861-F865 PolarHBondContact O-N 2.97Å; T862-F865 WeakPolarHBondContact O-CB 3.38Å; T862-F865 PolarHBondContact O-N 3.41Å; L863-F865 VanDerWaalsContact C-N 3.32Å; F865-A867 PolarHBondContact O-N 2.85Å; F865-Q868 PolarHBondContact O-N 2.77Å; F865-S869 PolarHBondContact O-N 3.31Å
866	I	90.6	Very high	92.4	Very high	50 Å²	50	42.4 Å²	42.4	26%	0.256	20%	0.201	S	C	.	.	H	α-helix	trans	-60.2	-35.1	177.5	-65.7	170.7	0	0	0	111.2	T862 L863 Q868 S869	T862-I866 HydrophobicContact CG2-CD1 3.73Å; T862-I866 HydrophobicContact CG2-CG1 4.34Å; T862-I866 WeakPolarHBondContact O-CG1 3.27Å; T862-I866 PolarHBondContact O-N 2.93Å; L863-I866 PolarHBondContact O-N 2.76Å; I866-Q868 PolarHBondContact O-N 2.96Å; I866-S869 PolarHBondContact O-N 3.12Å; I866-S869 PolarHBondContact O-OG 2.71Å
867	A	89.5	Confident	92.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-29	178.1	0	0	0	0	0	113.3	R549 N550 L863 K864 F865	R549-A867 VanDerWaalsContact NH1-CA 3.25Å; R549-A867 PolarHBondContact NH1-O 3.18Å; R549-A867 PolarHBondContact NH2-O 2.99Å; R549-A867 WeakPolarHBondContact O-CB 3.41Å; N550-A867 VanDerWaalsContact O-CB 3.25Å; N550-A867 WeakPolarHBondContact O-CB 3.11Å; L863-A867 VanDerWaalsContact O-CB 3.26Å; L863-A867 WeakPolarHBondContact O-CB 3.4Å; L863-A867 PolarHBondContact O-N 3.15Å; K864-A867 WeakPolarHBondContact O-CB 3.48Å; K864-A867 PolarHBondContact O-N 2.89Å; F865-A867 PolarHBondContact O-N 2.85Å
868	Q	87.1	Confident	92.4	Very high	49 Å²	49	45.1 Å²	45.1	23%	0.229	22%	0.218	C	C	.	.	H	α-helix	trans	-93.3	-12.9	-179.1	-62.6	-59.4	-43.3	0	0	112.9	F865 I866 V871 S872	F865-Q868 PolarHBondContact O-N 2.77Å; I866-Q868 PolarHBondContact O-N 2.96Å; Q868-V871 PolarHBondContact O-N 2.92Å; Q868-S872 PolarHBondContact O-N 3.27Å
869	S	86.9	Confident	92.2	Very high	50 Å²	50	46.6 Å²	46.6	35%	0.35	23%	0.228	S	C	.	.	H	α-helix	trans	-66.9	-44	-170.4	70.8	0	0	0	0	112.9	F865 I866 S872 W873	F865-S869 PolarHBondContact O-N 3.31Å; I866-S869 PolarHBondContact O-N 3.12Å; I866-S869 PolarHBondContact O-OG 2.71Å; S869-S872 PolarHBondContact O-N 2.91Å; S869-S872 PolarHBondContact O-OG 3.35Å; S869-W873 VanDerWaalsContact O-CD1 3.23Å; S869-W873 PolarHBondContact O-NE1 3.04Å
870	D	89.1	Confident	91.8	Very high	30 Å²	30	50.3 Å²	50.3	16%	0.16	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-42.3	177.2	69.2	-28.7	0	0	0	111.7	R549 Y561 V562 S872 W873	R549-D870 IonicContact CZ-OD1 3.89Å; R549-D870 IonicContact NH2-OD1 2.71Å; R549-D870 PolarHBondContact NH2-OD1 3.27Å; R549-D870 IonicContact NH2-OD2 3.36Å; R549-D870 PolarHBondContact NH2-OD2 2.76Å; Y561-D870 VanDerWaalsContact CA-OD2 3.28Å; Y561-D870 WeakPolarHBondContact CA-OD2 3.22Å; Y561-D870 WeakPolarHBondContact CB-OD2 3.42Å; V562-D870 WeakPolarHBondContact CB-O 3.31Å; V562-D870 PolarHBondContact N-OD2 3.09Å; D870-S872 PolarHBondContact O-N 2.75Å; D870-W873 WeakPolarHBondContact O-CB 3.31Å; D870-W873 PolarHBondContact O-N 2.93Å; D870-W873 VanDerWaalsContact O-N 3.12Å
871	V	91.9	Very high	91.6	Very high	4 Å²	4	53 Å²	53	2%	0.024	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-57.6	-36.8	176.9	176.3	0	0	0	0	111.6	V676 Q868 W873 L874	V676-V871 HydrophobicContact CB-CG1 4.36Å; V676-V871 HydrophobicContact CG1-CG1 4Å; Q868-V871 PolarHBondContact O-N 2.92Å; V871-W873 PolarHBondContact O-N 3.14Å; V871-W873 VanDerWaalsContact O-N 3.09Å; V871-L874 VanDerWaalsContact O-CB 3.29Å; V871-L874 WeakPolarHBondContact O-CB 3.48Å; V871-L874 PolarHBondContact O-N 2.66Å
872	S	89.9	Confident	91.4	Very high	40 Å²	40	53.4 Å²	53.4	28%	0.28	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-60.4	-20	179.6	82.2	0	0	0	0	114.4	Q868 S869 D870 R876	Q868-S872 PolarHBondContact O-N 3.27Å; S869-S872 PolarHBondContact O-N 2.91Å; S869-S872 PolarHBondContact O-OG 3.35Å; D870-S872 PolarHBondContact O-N 2.75Å; S872-R876 PolarHBondContact O-NE 3.11Å
873	W	91.6	Very high	91.2	Very high	63 Å²	63	53.9 Å²	53.9	24%	0.239	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-79	-17.7	175.8	-66.4	106.1	0	0	0	113.6	V562 Y572 S869 D870 V871 R875 R876 F884	V562-W873 HydrophobicContact CG1-CB 4.37Å; Y572-W873 HydrophobicContact CD1-CB 3.99Å; Y572-W873 HydrophobicContact CD2-CB 3.81Å; Y572-W873 WeakPolarHBondContact CD2-O 3.17Å; Y572-W873 HydrophobicContact CE1-CB 4.02Å; Y572-W873 HydrophobicContact CE1-CG 4.32Å; Y572-W873 HydrophobicContact CE2-CB 3.81Å; Y572-W873 HydrophobicContact CE2-CD2 4.21Å; Y572-W873 AromaticContact CE2-CE3 3.8Å; Y572-W873 HydrophobicContact CE2-CE3 3.8Å; Y572-W873 HydrophobicContact CE2-CG 4.24Å; Y572-W873 HydrophobicContact CG-CB 3.9Å; Y572-W873 AromaticContact CZ-CE3 3.99Å; S869-W873 VanDerWaalsContact O-CD1 3.23Å; S869-W873 PolarHBondContact O-NE1 3.04Å; D870-W873 WeakPolarHBondContact O-CB 3.31Å; D870-W873 PolarHBondContact O-N 2.93Å; D870-W873 VanDerWaalsContact O-N 3.12Å; V871-W873 PolarHBondContact O-N 3.14Å; V871-W873 VanDerWaalsContact O-N 3.09Å; W873-R875 PolarHBondContact O-N 3.06Å; W873-R876 HydrophobicContact CE3-CB 4.43Å; W873-R876 WeakPolarHBondContact O-CB 3.28Å; W873-R876 PolarHBondContact O-N 2.86Å; W873-F884 HydrophobicContact CH2-CE1 4.01Å; W873-F884 HydrophobicContact CH2-CE2 4.28Å; W873-F884 AromaticContact CH2-CZ 3.66Å; W873-F884 HydrophobicContact CH2-CZ 3.66Å; W873-F884 HydrophobicContact CZ2-CE1 4.11Å; W873-F884 HydrophobicContact CZ2-CZ 4.07Å
874	L	93	Very high	91	Very high	5 Å²	5	55.7 Å²	55.7	3%	0.026	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	137.6	177.5	-169	68.3	0	0	0	109.6	V562 I574 V676 L684 I686 V871 R876	V562-L874 HydrophobicContact CG1-CB 4.21Å; V562-L874 HydrophobicContact CG1-CD1 4.32Å; V562-L874 HydrophobicContact CG2-CB 4.34Å; I574-L874 HydrophobicContact CD1-CD2 3.91Å; I574-L874 HydrophobicContact CG1-CD1 4.05Å; I574-L874 HydrophobicContact CG1-CD2 4.06Å; V676-L874 HydrophobicContact CG1-CD2 3.78Å; L684-L874 HydrophobicContact CD1-CB 4.21Å; L684-L874 HydrophobicContact CD2-CD2 4.13Å; I686-L874 HydrophobicContact CD1-CD2 3.95Å; V871-L874 VanDerWaalsContact O-CB 3.29Å; V871-L874 WeakPolarHBondContact O-CB 3.48Å; V871-L874 PolarHBondContact O-N 2.66Å; L874-R876 PolarHBondContact O-N 3.25Å
875	R	92.4	Very high	91	Very high	133 Å²	133	50.6 Å²	50.6	50%	0.502	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	71	-2.1	-171.6	-46.5	-59.9	-177.1	-118.1	-3.5	116.1	E690 W873	E690-R875 IonicContact OE1-CZ 3.13Å; E690-R875 IonicContact OE1-NH1 2.8Å; E690-R875 PolarHBondContact OE1-NH1 2.91Å; E690-R875 IonicContact OE1-NH2 3.9Å; E690-R875 PolarHBondContact OE1-NH2 3Å; E690-R875 VanDerWaalsContact OE1-NH2 3.13Å; E690-R875 IonicContact OE2-CZ 3.16Å; E690-R875 IonicContact OE2-NH1 3.16Å; E690-R875 IonicContact OE2-NH2 2.83Å; E690-R875 PolarHBondContact OE2-NH2 2.96Å; W873-R875 PolarHBondContact O-N 3.06Å
876	R	92.9	Very high	91.1	Very high	137 Å²	137	49.2 Å²	49.2	52%	0.517	24%	0.244	S	C	.	.	S	Bend	trans	-88	161	168.8	-55.1	-172.3	-176.1	-155	-4.9	110.7	Y572 S872 W873 L874	Y572-R876 WeakPolarHBondContact CD2-O 3.44Å; S872-R876 PolarHBondContact O-NE 3.11Å; W873-R876 HydrophobicContact CE3-CB 4.43Å; W873-R876 WeakPolarHBondContact O-CB 3.28Å; W873-R876 PolarHBondContact O-N 2.86Å; L874-R876 PolarHBondContact O-N 3.25Å
877	S	94.8	Very high	91.3	Very high	84 Å²	84	46.8 Å²	46.8	59%	0.587	23%	0.232	S	C	*	.	B	Isolated β-bridge	trans	-80.3	150.6	165.6	51.5	0	0	0	0	110.3	S570 P879	S570-S877 WeakPolarHBondContact O-CA 3.36Å; S877-P879 WeakPolarHBondContact O-CD 3.41Å
878	V	95.6	Very high	91.6	Very high	9 Å²	9	46.8 Å²	46.8	6%	0.055	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-74.1	119.6	174.3	179.2	0	0	0	0	108.4	P564 S569 S570 Y572 R880 T898	P564-V878 HydrophobicContact CB-CG2 4.04Å; P564-V878 HydrophobicContact CG-CG1 4.2Å; P564-V878 HydrophobicContact CG-CG2 3.9Å; S569-V878 VanDerWaalsContact O-CB 3.3Å; S569-V878 WeakPolarHBondContact O-CB 3.33Å; S569-V878 VanDerWaalsContact O-CG2 3.24Å; S569-V878 WeakPolarHBondContact O-CG2 3.2Å; S570-V878 PolarHBondContact O-N 2.89Å; Y572-V878 HydrophobicContact CD1-CG2 4.22Å; Y572-V878 HydrophobicContact CD2-CG2 3.83Å; Y572-V878 HydrophobicContact CE1-CG2 4.02Å; Y572-V878 HydrophobicContact CE2-CB 4.22Å; Y572-V878 HydrophobicContact CE2-CG2 3.64Å; Y572-V878 HydrophobicContact CG-CG2 4.13Å; V878-R880 WeakPolarHBondContact O-CG 3.25Å; V878-R880 PolarHBondContact O-N 2.86Å; V878-T898 HydrophobicContact CG1-CG2 4.11Å
879	P	93	Very high	92	Very high	36 Å²	36	46 Å²	46	23%	0.234	23%	0.231	C	C	.	.			trans	-75.4	97.9	179.3	33.1	-36.4	0	0	0	109.4	S877 T881 E882 F884	S877-P879 WeakPolarHBondContact O-CD 3.41Å; P879-T881 VanDerWaalsContact C-N 3.26Å; P879-T881 PolarHBondContact O-N 2.99Å; P879-E882 HydrophobicContact CB-CB 3.94Å; P879-E882 HydrophobicContact CB-CG 4.05Å; P879-E882 HydrophobicContact CG-CB 4.14Å; P879-E882 PolarHBondContact O-N 3.18Å; P879-F884 HydrophobicContact CG-CE2 3.57Å; P879-F884 HydrophobicContact CG-CZ 3.82Å
880	R	88.6	Confident	92.5	Very high	81 Å²	81	44.5 Å²	44.5	31%	0.306	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-22.3	-169.2	-49.4	-167.6	84.9	-158.9	5.9	114.1	S569 V878 Q900 N949	S569-R880 PolarHBondContact OG-NH2 3.35Å; V878-R880 WeakPolarHBondContact O-CG 3.25Å; V878-R880 PolarHBondContact O-N 2.86Å; R880-Q900 PolarHBondContact O-NE2 3.04Å; R880-N949 PolarHBondContact NH1-OD1 3.29Å; R880-N949 VanDerWaalsContact NH1-OD1 3.12Å; R880-N949 PolarHBondContact NH2-O 2.78Å
881	T	89.1	Confident	92.8	Very high	90 Å²	90	46 Å²	46	55%	0.552	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-16.3	179.1	53.2	0	0	0	0	112.6	K828 P879	K828-T881 WeakPolarHBondContact CE-O 3.33Å; K828-T881 PolarHBondContact NZ-O 2.91Å; P879-T881 VanDerWaalsContact C-N 3.26Å; P879-T881 PolarHBondContact O-N 2.99Å
882	E	90.9	Very high	93	Very high	69 Å²	69	46.1 Å²	46.1	32%	0.322	23%	0.228	S	C	.	.			trans	-87.1	163.3	176.9	-65.8	-56.1	143.2	0	0	111.4	P879 F884 Q900	P879-E882 HydrophobicContact CB-CB 3.94Å; P879-E882 HydrophobicContact CB-CG 4.05Å; P879-E882 HydrophobicContact CG-CB 4.14Å; P879-E882 PolarHBondContact O-N 3.18Å; E882-F884 HydrophobicContact CB-CE2 4.1Å; E882-F884 HydrophobicContact CB-CZ 4.04Å; E882-Q900 PolarHBondContact O-NE2 3.44Å; E882-Q900 PolarHBondContact O-OE1 3Å
883	W	92.1	Very high	93.3	Very high	10 Å²	10	47.7 Å²	47.7	4%	0.038	23%	0.23	C	C	.	.			trans	-141	142.6	174.6	67.6	-45.4	0	0	0	111	K828 Y831 P832 F834 R902	K828-W883 HydrophobicContact CB-CB 4.42Å; K828-W883 HydrophobicContact CB-CD2 3.4Å; K828-W883 HydrophobicContact CB-CE3 3.48Å; K828-W883 VanDerWaalsContact CB-CE3 3.48Å; K828-W883 HydrophobicContact CB-CG 3.86Å; K828-W883 HydrophobicContact CB-CH2 4Å; K828-W883 HydrophobicContact CB-CZ2 3.92Å; K828-W883 HydrophobicContact CB-CZ3 3.79Å; K828-W883 HydrophobicContact CD-CB 4.33Å; K828-W883 HydrophobicContact CD-CD2 4.26Å; K828-W883 HydrophobicContact CD-CG 3.9Å; K828-W883 HydrophobicContact CG-CB 3.95Å; K828-W883 HydrophobicContact CG-CD2 3.89Å; K828-W883 HydrophobicContact CG-CE3 4.28Å; K828-W883 HydrophobicContact CG-CG 3.76Å; Y831-W883 VanDerWaalsContact N-CZ2 3.33Å; Y831-W883 WeakPolarHBondContact O-CZ2 3.26Å; Y831-W883 PolarHBondContact O-NE1 2.76Å; P832-W883 WeakPolarHBondContact CB-O 3.42Å; P832-W883 HydrophobicContact CG-CD2 4.31Å; P832-W883 HydrophobicContact CG-CG 4.28Å; P832-W883 WeakPolarHBondContact CG-O 3.24Å; F834-W883 WeakPolarHBondContact CE1-O 3.31Å; W883-R902 HydrophobicContact CE3-CB 3.72Å; W883-R902 HydrophobicContact CE3-CG 3.69Å; W883-R902 HydrophobicContact CZ3-CB 3.75Å; W883-R902 HydrophobicContact CZ3-CG 4.24Å
884	F	88.9	Confident	93.6	Very high	63 Å²	63	46.2 Å²	46.2	28%	0.276	23%	0.225	S	C	.	.			trans	-123.7	80.7	-175	-56.8	-82	0	0	0	107.5	Y769 F834 W873 P879 E882	Y769-F884 WeakPolarHBondContact OH-CB 3.36Å; Y769-F884 WeakPolarHBondContact OH-CD1 3.38Å; F834-F884 AromaticContact CE1-CD1 3.92Å; F834-F884 HydrophobicContact CE1-CD1 3.92Å; F834-F884 AromaticContact CE1-CE1 3.77Å; F834-F884 HydrophobicContact CE1-CE1 3.77Å; F834-F884 AromaticContact CZ-CD1 3.73Å; F834-F884 HydrophobicContact CZ-CD1 3.73Å; F834-F884 AromaticContact CZ-CE1 3.91Å; F834-F884 HydrophobicContact CZ-CE1 3.91Å; W873-F884 HydrophobicContact CH2-CE1 4.01Å; W873-F884 HydrophobicContact CH2-CE2 4.28Å; W873-F884 AromaticContact CH2-CZ 3.66Å; W873-F884 HydrophobicContact CH2-CZ 3.66Å; W873-F884 HydrophobicContact CZ2-CE1 4.11Å; W873-F884 HydrophobicContact CZ2-CZ 4.07Å; P879-F884 HydrophobicContact CG-CE2 3.57Å; P879-F884 HydrophobicContact CG-CZ 3.82Å; E882-F884 HydrophobicContact CB-CE2 4.1Å; E882-F884 HydrophobicContact CB-CZ 4.04Å
885	T	92.2	Very high	93.8	Very high	16 Å²	16	47 Å²	47	10%	0.098	23%	0.23	C	C	.	.			trans	-136.7	138	178.8	-59.4	0	0	0	0	107.8	P887 F893 R902 P904	T885-P887 VanDerWaalsContact O-CD 3.29Å; T885-P887 WeakPolarHBondContact O-CD 3.42Å; T885-F893 HydrophobicContact CG2-CD2 4.01Å; T885-F893 HydrophobicContact CG2-CE2 3.83Å; T885-R902 WeakPolarHBondContact OG1-CD 3.45Å; T885-P904 HydrophobicContact CG2-CG 3.63Å
886	N	93.2	Very high	93.9	Very high	14 Å²	14	41.7 Å²	41.7	8%	0.075	21%	0.214	C	C	.	.			trans	-64.5	119.4	-178.7	-179.3	3.3	0	0	0	110.3	E764 V768 T888 T889 P904	E764-N886 WeakPolarHBondContact CG-ND2 3.45Å; E764-N886 PolarHBondContact OE1-ND2 2.65Å; E764-N886 VanDerWaalsContact OE1-ND2 3.12Å; V768-N886 HydrophobicContact CB-CB 4.38Å; V768-N886 VanDerWaalsContact CG1-CA 3.45Å; V768-N886 HydrophobicContact CG1-CB 3.36Å; V768-N886 HydrophobicContact CG2-CB 4.33Å; N886-T888 VanDerWaalsContact CG-OG1 3.31Å; N886-T888 PolarHBondContact ND2-OG1 3.41Å; N886-T888 VanDerWaalsContact ND2-OG1 3.11Å; N886-T888 PolarHBondContact O-N 2.75Å; N886-T888 VanDerWaalsContact O-N 3.12Å; N886-T888 PolarHBondContact OD1-N 3.35Å; N886-T888 PolarHBondContact OD1-OG1 2.91Å; N886-T889 WeakPolarHBondContact CB-OG1 3.42Å; N886-T889 WeakPolarHBondContact O-CB 3.2Å; N886-T889 PolarHBondContact O-N 2.86Å; N886-T889 VanDerWaalsContact O-N 3.09Å; N886-T889 PolarHBondContact O-OG1 2.65Å; N886-P904 WeakPolarHBondContact O-CB 3.46Å
887	P	95.3	Very high	93.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-29.2	-179.9	-27.7	36.5	0	0	0	114.6	V776 I835 T885 T889 P904 A905 G906	V776-P887 HydrophobicContact CG2-CB 3.97Å; I835-P887 HydrophobicContact CD1-CG 3.69Å; T885-P887 VanDerWaalsContact O-CD 3.29Å; T885-P887 WeakPolarHBondContact O-CD 3.42Å; P887-T889 VanDerWaalsContact C-N 3.32Å; P887-P904 WeakPolarHBondContact O-CB 3.37Å; P887-A905 CarbonylContact O-C 3.56Å; P887-A905 WeakPolarHBondContact O-CA 3.41Å; P887-A905 WeakPolarHBondContact O-CB 3.13Å; P887-A905 PolarHBondContact O-N 3.03Å; P887-G906 PolarHBondContact O-N 3.49Å
888	T	96.3	Very high	93.9	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-0.3	-177.8	55.2	0	0	0	0	114.1	R463 L470 E764 F775 N886 V890	R463-T888 PolarHBondContact NH1-O 3.26Å; L470-T888 HydrophobicContact CD1-CG2 4.09Å; L470-T888 HydrophobicContact CD2-CG2 4.17Å; L470-T888 HydrophobicContact CG-CG2 4.45Å; E764-T888 WeakPolarHBondContact CG-OG1 3.49Å; E764-T888 WeakPolarHBondContact OE1-CB 3.18Å; E764-T888 PolarHBondContact OE1-OG1 3.05Å; F775-T888 HydrophobicContact CB-CG2 3.36Å; F775-T888 HydrophobicContact CD1-CG2 3.89Å; F775-T888 HydrophobicContact CD2-CG2 3.97Å; F775-T888 HydrophobicContact CG-CG2 3.47Å; F775-T888 VanDerWaalsContact CG-CG2 3.47Å; N886-T888 VanDerWaalsContact CG-OG1 3.31Å; N886-T888 PolarHBondContact ND2-OG1 3.41Å; N886-T888 VanDerWaalsContact ND2-OG1 3.11Å; N886-T888 PolarHBondContact O-N 2.75Å; N886-T888 VanDerWaalsContact O-N 3.12Å; N886-T888 PolarHBondContact OD1-N 3.35Å; N886-T888 PolarHBondContact OD1-OG1 2.91Å; T888-V890 PolarHBondContact O-N 3.05Å
889	T	95.4	Very high	94	Very high	33 Å²	33	32.5 Å²	32.5	20%	0.202	17%	0.171	C	C	.	.			trans	-64.4	134.8	175.8	-65.2	0	0	0	0	111.2	N886 P887 N891 F893 G906 E907	N886-T889 WeakPolarHBondContact CB-OG1 3.42Å; N886-T889 WeakPolarHBondContact O-CB 3.2Å; N886-T889 PolarHBondContact O-N 2.86Å; N886-T889 VanDerWaalsContact O-N 3.09Å; N886-T889 PolarHBondContact O-OG1 2.65Å; P887-T889 VanDerWaalsContact C-N 3.32Å; T889-N891 HydrophobicContact CG2-CB 3.69Å; T889-F893 HydrophobicContact CG2-CE2 3.92Å; T889-F893 HydrophobicContact CG2-CZ 3.9Å; T889-G906 WeakPolarHBondContact O-CA 3.35Å; T889-E907 PolarHBondContact O-N 3.33Å
890	V	95.9	Very high	94.2	Very high	17 Å²	17	30.8 Å²	30.8	10%	0.103	16%	0.159	C	C	.	.	S	Bend	trans	-99.1	78.9	171.6	-178.3	0	0	0	0	107.4	Y459 L462 R463 V466 T888 E907	Y459-V890 HydrophobicContact CD1-CG1 4.22Å; L462-V890 HydrophobicContact CB-CG1 4.04Å; L462-V890 HydrophobicContact CD2-CG1 3.66Å; L462-V890 HydrophobicContact CD2-CG2 4.5Å; L462-V890 HydrophobicContact CG-CG1 3.78Å; L462-V890 HydrophobicContact CG-CG2 4.1Å; R463-V890 HydrophobicContact CB-CB 4.39Å; R463-V890 HydrophobicContact CB-CG2 4.35Å; V466-V890 HydrophobicContact CB-CG2 4.38Å; V466-V890 HydrophobicContact CG2-CG2 3.76Å; T888-V890 PolarHBondContact O-N 3.05Å; V890-E907 VanDerWaalsContact CA-OE2 3.29Å; V890-E907 WeakPolarHBondContact CA-OE2 3.34Å; V890-E907 WeakPolarHBondContact CG1-OE2 3.41Å
891	N	95.4	Very high	94.6	Very high	63 Å²	63	27 Å²	27	34%	0.337	15%	0.145	S	C	.	.			trans	-168.7	175.3	177.4	-151.4	-14.3	0	0	0	110.1	T889 F893 P904 E907	T889-N891 HydrophobicContact CG2-CB 3.69Å; N891-F893 HydrophobicContact CB-CE1 4.26Å; N891-F893 HydrophobicContact CB-CE2 4.02Å; N891-F893 HydrophobicContact CB-CZ 3.66Å; N891-P904 WeakPolarHBondContact O-CD 3.32Å; N891-E907 PolarHBondContact N-OE2 3.2Å
892	A	96.5	Very high	94.9	Very high	5 Å²	5	24.5 Å²	24.5	4%	0.041	13%	0.126	C	C	.	.			trans	-130.8	162	166.6	0	0	0	0	0	110.6	R902 F903 I930 E934	A892-R902 WeakPolarHBondContact CA-O 3.46Å; A892-F903 HydrophobicContact CB-CD1 3.69Å; A892-F903 HydrophobicContact CB-CE1 3.86Å; A892-I930 HydrophobicContact CB-CG2 3.5Å; A892-I930 VanDerWaalsContact CB-CG2 3.5Å; A892-E934 HydrophobicContact CB-CG 3.75Å; A892-E934 WeakPolarHBondContact CB-OE1 3.06Å
893	F	96.9	Very high	95.2	Very high	74 Å²	74	21.2 Å²	21.2	33%	0.325	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	141.1	-175	-49.4	-83.7	0	0	0	114.5	T885 T889 N891 I901 R902 P904 E934	T885-F893 HydrophobicContact CG2-CD2 4.01Å; T885-F893 HydrophobicContact CG2-CE2 3.83Å; T889-F893 HydrophobicContact CG2-CE2 3.92Å; T889-F893 HydrophobicContact CG2-CZ 3.9Å; N891-F893 HydrophobicContact CB-CE1 4.26Å; N891-F893 HydrophobicContact CB-CE2 4.02Å; N891-F893 HydrophobicContact CB-CZ 3.66Å; F893-I901 CarbonylContact O-C 3.51Å; F893-I901 WeakPolarHBondContact O-CA 3.35Å; F893-R902 HydrophobicContact CB-CB 4.41Å; F893-R902 PolarHBondContact N-O 3.45Å; F893-R902 PolarHBondContact O-N 2.87Å; F893-P904 HydrophobicContact CE2-CG 4.42Å; F893-E934 WeakPolarHBondContact CA-OE2 3.44Å
894	Y	97.6	Very high	95.4	Very high	31 Å²	31	20.8 Å²	20.8	12%	0.122	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.7	160.5	178.3	-107.6	0	0	0	111.7	K821 S896 N899 Q900 I901 E934 H937 G938	K821-Y894 WeakPolarHBondContact CE-OH 3.42Å; K821-Y894 PolarHBondContact NZ-OH 2.97Å; Y894-S896 WeakPolarHBondContact CE1-OG 3.2Å; Y894-N899 PolarHBondContact OH-OD1 3.01Å; Y894-Q900 WeakPolarHBondContact CA-O 3.27Å; Y894-Q900 WeakPolarHBondContact CD2-O 3.3Å; Y894-I901 HydrophobicContact CD2-CG2 3.85Å; Y894-E934 WeakPolarHBondContact CB-O 3.2Å; Y894-E934 PolarHBondContact N-OE2 3.44Å; Y894-H937 HydrophobicContact CD1-CB 3.69Å; Y894-H937 HydrophobicContact CG-CB 3.77Å; Y894-G938 VanDerWaalsContact CE1-CA 3.5Å; Y894-G938 WeakPolarHBondContact OH-CA 3.19Å
895	S	96.2	Very high	95.8	Very high	21 Å²	21	17.8 Å²	17.8	15%	0.147	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	108.6	174.1	169.3	0	0	0	0	110.2	S897 T898 N899 Q900	S895-S897 VanDerWaalsContact C-N 3.33Å; S895-S897 PolarHBondContact O-N 3.43Å; S895-T898 VanDerWaalsContact CB-OG1 3.24Å; S895-T898 WeakPolarHBondContact CB-OG1 3.42Å; S895-T898 PolarHBondContact O-N 2.76Å; S895-T898 PolarHBondContact OG-OG1 2.77Å; S895-N899 VanDerWaalsContact O-CA 3.31Å; S895-N899 WeakPolarHBondContact O-CA 3.24Å; S895-N899 PolarHBondContact O-N 3.37Å; S895-Q900 PolarHBondContact N-O 2.67Å; S895-Q900 PolarHBondContact O-N 2.83Å
896	S	95.1	Very high	95.9	Very high	22 Å²	22	17 Å²	17	15%	0.154	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-37	-177.9	-42.2	0	0	0	0	112.9	Y894 G950	Y894-S896 WeakPolarHBondContact CE1-OG 3.2Å; S896-G950 WeakPolarHBondContact O-CA 3.34Å
897	S	93.3	Very high	96	Very high	23 Å²	23	16.4 Å²	16.4	16%	0.161	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-29	-177.1	55.3	0	0	0	0	113.7	S569 S895	S569-S897 WeakPolarHBondContact CB-O 3.38Å; S895-S897 VanDerWaalsContact C-N 3.33Å; S895-S897 PolarHBondContact O-N 3.43Å
898	T	94.9	Very high	95.9	Very high	13 Å²	13	16.4 Å²	16.4	8%	0.08	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-5.8	177.9	56.4	0	0	0	0	112.8	V878 S895 Q900 R902	V878-T898 HydrophobicContact CG1-CG2 4.11Å; S895-T898 VanDerWaalsContact CB-OG1 3.24Å; S895-T898 WeakPolarHBondContact CB-OG1 3.42Å; S895-T898 PolarHBondContact O-N 2.76Å; S895-T898 PolarHBondContact OG-OG1 2.77Å; T898-Q900 VanDerWaalsContact C-N 3.31Å; T898-Q900 PolarHBondContact O-N 3.18Å; T898-Q900 PolarHBondContact OG1-OE1 3.12Å; T898-R902 PolarHBondContact OG1-NH2 3.08Å
899	N	96.8	Very high	95.7	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.011	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	49.9	-172.3	-159.7	39.6	0	0	0	112.4	K821 A824 V825 L826 Y894 S895 K948	K821-N899 WeakPolarHBondContact CE-OD1 3.22Å; K821-N899 PolarHBondContact O-ND2 3.45Å; A824-N899 VanDerWaalsContact C-ND2 3.34Å; A824-N899 PolarHBondContact O-ND2 3.11Å; V825-N899 WeakPolarHBondContact CA-O 3.26Å; V825-N899 PolarHBondContact N-ND2 2.73Å; L826-N899 PolarHBondContact N-O 2.83Å; Y894-N899 PolarHBondContact OH-OD1 3.01Å; S895-N899 VanDerWaalsContact O-CA 3.31Å; S895-N899 WeakPolarHBondContact O-CA 3.24Å; S895-N899 PolarHBondContact O-N 3.37Å; N899-K948 PolarHBondContact ND2-O 3.12Å
900	Q	96.6	Very high	95.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	141.5	-176.5	-72.4	174	-0.5	0	0	111.5	L826 R880 E882 Y894 S895 T898 R902	L826-Q900 HydrophobicContact CB-CG 3.99Å; L826-Q900 VanDerWaalsContact O-CA 3.24Å; L826-Q900 WeakPolarHBondContact O-CA 3.28Å; R880-Q900 PolarHBondContact O-NE2 3.04Å; E882-Q900 PolarHBondContact O-NE2 3.44Å; E882-Q900 PolarHBondContact O-OE1 3Å; Y894-Q900 WeakPolarHBondContact CA-O 3.27Å; Y894-Q900 WeakPolarHBondContact CD2-O 3.3Å; S895-Q900 PolarHBondContact N-O 2.67Å; S895-Q900 PolarHBondContact O-N 2.83Å; T898-Q900 VanDerWaalsContact C-N 3.31Å; T898-Q900 PolarHBondContact O-N 3.18Å; T898-Q900 PolarHBondContact OG1-OE1 3.12Å; Q900-R902 HydrophobicContact CB-CG 4.46Å
901	I	97.6	Very high	95.2	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.01	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	136	164.9	58.8	-179.5	0	0	0	109.3	I792 V825 L826 P827 K828 F893 Y894 F903 E934	I792-I901 HydrophobicContact CG1-CD1 4.48Å; I792-I901 HydrophobicContact CG2-CD1 4.31Å; V825-I901 HydrophobicContact CG1-CB 4.43Å; V825-I901 HydrophobicContact CG1-CD1 4.16Å; V825-I901 HydrophobicContact CG1-CG1 4.03Å; V825-I901 HydrophobicContact CG1-CG2 3.77Å; L826-I901 PolarHBondContact O-N 3.31Å; P827-I901 CarbonylContact C-O 3.55Å; P827-I901 HydrophobicContact CB-CD1 4.29Å; P827-I901 HydrophobicContact CB-CG1 4.08Å; K828-I901 PolarHBondContact N-O 3.33Å; F893-I901 CarbonylContact O-C 3.51Å; F893-I901 WeakPolarHBondContact O-CA 3.35Å; Y894-I901 HydrophobicContact CD2-CG2 3.85Å; I901-F903 HydrophobicContact CB-CE2 3.97Å; I901-F903 HydrophobicContact CB-CZ 4.05Å; I901-F903 HydrophobicContact CD1-CE2 3.77Å; I901-F903 HydrophobicContact CD1-CZ 4.03Å; I901-F903 HydrophobicContact CG1-CE2 3.73Å; I901-F903 HydrophobicContact CG1-CZ 4.19Å; I901-E934 HydrophobicContact CB-CB 4.03Å; I901-E934 HydrophobicContact CG2-CB 3.67Å; I901-E934 WeakPolarHBondContact CG2-O 3.27Å
902	R	96.8	Very high	95	Very high	37 Å²	37	15.8 Å²	15.8	14%	0.14	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	123.5	-166.8	-62.1	176.7	-179.2	171.3	5.1	111	K828 W883 T885 A892 F893 T898 Q900	K828-R902 HydrophobicContact CB-CG 4.16Å; K828-R902 CarbonylContact O-C 3.58Å; K828-R902 WeakPolarHBondContact O-CA 3.27Å; W883-R902 HydrophobicContact CE3-CB 3.72Å; W883-R902 HydrophobicContact CE3-CG 3.69Å; W883-R902 HydrophobicContact CZ3-CB 3.75Å; W883-R902 HydrophobicContact CZ3-CG 4.24Å; T885-R902 WeakPolarHBondContact OG1-CD 3.45Å; A892-R902 WeakPolarHBondContact CA-O 3.46Å; F893-R902 HydrophobicContact CB-CB 4.41Å; F893-R902 PolarHBondContact N-O 3.45Å; F893-R902 PolarHBondContact O-N 2.87Å; T898-R902 PolarHBondContact OG1-NH2 3.08Å; Q900-R902 HydrophobicContact CB-CG 4.46Å
903	F	96.7	Very high	94.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	90.3	-178.3	-52.2	-78.6	0	0	0	109.9	M788 I792 K828 V829 G830 A892 I901 L908 I930 V931 E934	M788-F903 HydrophobicContact CE-CB 4.11Å; M788-F903 HydrophobicContact CE-CD1 4.16Å; M788-F903 HydrophobicContact CE-CD2 3.86Å; M788-F903 HydrophobicContact CE-CE2 4.35Å; M788-F903 HydrophobicContact CE-CG 3.76Å; I792-F903 HydrophobicContact CD1-CD2 4.37Å; I792-F903 HydrophobicContact CD1-CE2 4.12Å; I792-F903 HydrophobicContact CG1-CE2 4.37Å; K828-F903 PolarHBondContact O-N 3.34Å; V829-F903 CarbonylContact C-O 3.12Å; V829-F903 WeakPolarHBondContact CA-O 3.13Å; V829-F903 HydrophobicContact CG2-CD2 4.37Å; G830-F903 PolarHBondContact N-O 3.06Å; A892-F903 HydrophobicContact CB-CD1 3.69Å; A892-F903 HydrophobicContact CB-CE1 3.86Å; I901-F903 HydrophobicContact CB-CE2 3.97Å; I901-F903 HydrophobicContact CB-CZ 4.05Å; I901-F903 HydrophobicContact CD1-CE2 3.77Å; I901-F903 HydrophobicContact CD1-CZ 4.03Å; I901-F903 HydrophobicContact CG1-CE2 3.73Å; I901-F903 HydrophobicContact CG1-CZ 4.19Å; F903-L908 HydrophobicContact CB-CD2 4.46Å; F903-I930 HydrophobicContact CD1-CG2 4.44Å; F903-I930 HydrophobicContact CE1-CG2 4.12Å; F903-V931 HydrophobicContact CD1-CG2 4.37Å; F903-V931 HydrophobicContact CE1-CB 4.34Å; F903-V931 HydrophobicContact CE1-CG2 3.73Å; F903-V931 HydrophobicContact CE2-CG2 4.09Å; F903-V931 HydrophobicContact CZ-CB 4.02Å; F903-V931 HydrophobicContact CZ-CG1 4.24Å; F903-V931 HydrophobicContact CZ-CG2 3.59Å; F903-E934 HydrophobicContact CE1-CB 4.36Å; F903-E934 HydrophobicContact CE1-CG 3.82Å; F903-E934 HydrophobicContact CZ-CB 4.15Å; F903-E934 HydrophobicContact CZ-CG 4.11Å
904	P	96.4	Very high	94.3	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	155	178.9	-19.7	33.7	0	0	0	113.2	G830 T885 N886 P887 N891 F893 G906 E907	G830-P904 CarbonylContact O-C 3.54Å; G830-P904 WeakPolarHBondContact O-CA 3.42Å; T885-P904 HydrophobicContact CG2-CG 3.63Å; N886-P904 WeakPolarHBondContact O-CB 3.46Å; P887-P904 WeakPolarHBondContact O-CB 3.37Å; N891-P904 WeakPolarHBondContact O-CD 3.32Å; F893-P904 HydrophobicContact CE2-CG 4.42Å; P904-G906 PolarHBondContact O-N 3.44Å; P904-E907 PolarHBondContact O-N 3.36Å
905	A	95.7	Very high	93.8	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.008	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-30.2	-179.7	0	0	0	0	0	114	F775 V776 F780 G830 P887 E907 L908	F775-A905 HydrophobicContact CE1-CB 4.28Å; V776-A905 HydrophobicContact CG2-CB 4.37Å; F780-A905 HydrophobicContact CB-CB 4.4Å; F780-A905 HydrophobicContact CD2-CB 3.41Å; F780-A905 VanDerWaalsContact CD2-CB 3.41Å; F780-A905 HydrophobicContact CE2-CB 3.88Å; F780-A905 HydrophobicContact CG-CB 4.01Å; G830-A905 PolarHBondContact O-N 3.39Å; P887-A905 CarbonylContact O-C 3.56Å; P887-A905 WeakPolarHBondContact O-CA 3.41Å; P887-A905 WeakPolarHBondContact O-CB 3.13Å; P887-A905 PolarHBondContact O-N 3.03Å; A905-E907 VanDerWaalsContact C-N 3.33Å; A905-E907 PolarHBondContact O-N 3.01Å; A905-L908 PolarHBondContact O-N 3.34Å
906	G	95.1	Very high	93.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-39	177.5	0	0	0	0	0	113.2	P887 T889 P904 Q909	P887-G906 PolarHBondContact O-N 3.49Å; T889-G906 WeakPolarHBondContact O-CA 3.35Å; P904-G906 PolarHBondContact O-N 3.44Å; G906-Q909 PolarHBondContact O-NE2 3.42Å
907	E	95	Very high	93.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-25.9	178.2	-170.1	69.9	-174.6	0	0	112.6	Y459 T889 V890 N891 P904 A905 Q909 F912 I927	Y459-E907 VanDerWaalsContact CE1-OE1 3.3Å; Y459-E907 WeakPolarHBondContact CE1-OE1 3.31Å; Y459-E907 PolarHBondContact OH-OE1 3.28Å; T889-E907 PolarHBondContact O-N 3.33Å; V890-E907 VanDerWaalsContact CA-OE2 3.29Å; V890-E907 WeakPolarHBondContact CA-OE2 3.34Å; V890-E907 WeakPolarHBondContact CG1-OE2 3.41Å; N891-E907 PolarHBondContact N-OE2 3.2Å; P904-E907 PolarHBondContact O-N 3.36Å; A905-E907 VanDerWaalsContact C-N 3.33Å; A905-E907 PolarHBondContact O-N 3.01Å; E907-Q909 PolarHBondContact O-N 3.44Å; E907-F912 WeakPolarHBondContact OE1-CD1 3.43Å; E907-F912 WeakPolarHBondContact OE1-CE1 3.49Å; E907-I927 HydrophobicContact CG-CD1 4.5Å
908	L	94.2	Very high	93.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-79.9	57.4	-172.8	-60.2	178.6	0	0	0	112.5	F780 K784 M788 V829 F903 A905 F913 I927	F780-L908 HydrophobicContact CE2-CB 4.32Å; F780-L908 HydrophobicContact CE2-CD1 3.81Å; F780-L908 HydrophobicContact CZ-CD1 4.22Å; K784-L908 HydrophobicContact CD-CB 4.46Å; K784-L908 PolarHBondContact NZ-O 3.03Å; M788-L908 HydrophobicContact CE-CD2 4.2Å; M788-L908 HydrophobicContact CG-CD1 4.32Å; M788-L908 HydrophobicContact CG-CD2 3.94Å; M788-L908 HydrophobicContact SD-CD2 3.67Å; V829-L908 HydrophobicContact CG1-CD1 3.67Å; F903-L908 HydrophobicContact CB-CD2 4.46Å; A905-L908 PolarHBondContact O-N 3.34Å; L908-F913 HydrophobicContact CD2-CD2 4.19Å; L908-I927 HydrophobicContact CD2-CD1 4.05Å; L908-I927 HydrophobicContact CD2-CG1 4.28Å
909	Q	91.6	Very high	93.1	Very high	15 Å²	15	20.1 Å²	20.1	7%	0.07	9%	0.093	C	C	.	.	S	Bend	trans	-144.6	161.5	-176.4	-56.7	-173.4	67.3	0	0	111	L462 R469 G906 E907 F912 F913	L462-Q909 HydrophobicContact CD1-CB 3.85Å; L462-Q909 HydrophobicContact CD1-CG 4.46Å; L462-Q909 HydrophobicContact CD2-CB 4.25Å; R469-Q909 VanDerWaalsContact NH2-OE1 3.13Å; G906-Q909 PolarHBondContact O-NE2 3.42Å; E907-Q909 PolarHBondContact O-N 3.44Å; Q909-F912 WeakPolarHBondContact O-CA 3.4Å; Q909-F912 WeakPolarHBondContact O-CB 3.43Å; Q909-F912 PolarHBondContact O-N 3.19Å; Q909-F913 CarbonylContact C-O 3.41Å; Q909-F913 VanDerWaalsContact C-O 3.3Å; Q909-F913 PolarHBondContact O-N 3.37Å
910	K	90	Very high	93	Very high	70 Å²	70	21 Å²	21	30%	0.304	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	143.9	174.3	-66.4	174.7	177.7	175.9	0	110.9	E416 F913 W914 Y918	E416-K910 IonicContact OE1-NZ 3.41Å; E416-K910 PolarHBondContact OE1-NZ 3.45Å; E416-K910 IonicContact OE2-NZ 3.87Å; E416-K910 PolarHBondContact OE2-NZ 3.44Å; K910-F913 PolarHBondContact N-O 3.14Å; K910-W914 HydrophobicContact CD-CE3 4.31Å; K910-W914 HydrophobicContact CD-CZ3 4.45Å; K910-W914 HydrophobicContact CG-CE3 4.17Å; K910-Y918 VanDerWaalsContact CE-CZ 3.41Å; K910-Y918 VanDerWaalsContact CE-OH 3.3Å; K910-Y918 WeakPolarHBondContact CE-OH 3.19Å; K910-Y918 PolarHBondContact NZ-OH 2.65Å
911	P	90.4	Very high	93	Very high	15 Å²	15	21 Å²	21	10%	0.097	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90.7	11.2	0.2	37	-36.3	0	0	0	114.3	I458 W914 V1044	I458-P911 HydrophobicContact CG2-CG 3.39Å; P911-W914 HydrophobicContact CB-CH2 4.24Å; P911-W914 HydrophobicContact CB-CZ2 3.59Å; P911-W914 PolarHBondContact O-NE1 3.12Å; P911-V1044 HydrophobicContact CG-CG1 4.48Å
912	F	91.5	Very high	92.9	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-46.1	178.8	-63	-87.5	0	0	0	111.1	I458 Y459 L462 E907 Q909 A926 I927 I930 V1044	I458-F912 HydrophobicContact CG2-CE2 3.77Å; I458-F912 HydrophobicContact CG2-CZ 3.88Å; Y459-F912 HydrophobicContact CD1-CE1 4.17Å; Y459-F912 AromaticContact CD1-CZ 3.73Å; Y459-F912 HydrophobicContact CD1-CZ 3.73Å; Y459-F912 HydrophobicContact CD2-CE1 4.01Å; Y459-F912 AromaticContact CD2-CZ 3.72Å; Y459-F912 HydrophobicContact CD2-CZ 3.72Å; Y459-F912 AromaticContact CE1-CE1 3.62Å; Y459-F912 HydrophobicContact CE1-CE1 3.62Å; Y459-F912 AromaticContact CE1-CZ 3.67Å; Y459-F912 HydrophobicContact CE1-CZ 3.67Å; Y459-F912 AromaticContact CE2-CE1 3.46Å; Y459-F912 HydrophobicContact CE2-CE1 3.46Å; Y459-F912 VanDerWaalsContact CE2-CE1 3.46Å; Y459-F912 AromaticContact CE2-CZ 3.68Å; Y459-F912 HydrophobicContact CE2-CZ 3.68Å; Y459-F912 HydrophobicContact CG-CE1 4.34Å; Y459-F912 AromaticContact CG-CZ 3.74Å; Y459-F912 HydrophobicContact CG-CZ 3.74Å; Y459-F912 AromaticContact CZ-CE1 3.22Å; Y459-F912 AromaticContact CZ-CZ 3.65Å; Y459-F912 WeakPolarHBondContact OH-CE1 3.26Å; L462-F912 HydrophobicContact CB-CE2 4.15Å; L462-F912 HydrophobicContact CD2-CD2 3.37Å; L462-F912 HydrophobicContact CD2-CE2 3.59Å; L462-F912 HydrophobicContact CD2-CG 4.49Å; E907-F912 WeakPolarHBondContact OE1-CD1 3.43Å; E907-F912 WeakPolarHBondContact OE1-CE1 3.49Å; Q909-F912 WeakPolarHBondContact O-CA 3.4Å; Q909-F912 WeakPolarHBondContact O-CB 3.43Å; Q909-F912 PolarHBondContact O-N 3.19Å; F912-A926 VanDerWaalsContact O-CB 3.24Å; F912-A926 WeakPolarHBondContact O-CB 3.49Å; F912-I927 WeakPolarHBondContact O-CB 3.35Å; F912-I927 WeakPolarHBondContact O-CG2 3.48Å; F912-I927 PolarHBondContact O-N 2.89Å; F912-I930 HydrophobicContact CD1-CD1 3.63Å; F912-I930 HydrophobicContact CE1-CD1 4.24Å; F912-V1044 HydrophobicContact CD1-CB 3.84Å; F912-V1044 HydrophobicContact CD1-CG1 3.62Å; F912-V1044 HydrophobicContact CE1-CB 3.48Å; F912-V1044 VanDerWaalsContact CE1-CB 3.48Å; F912-V1044 HydrophobicContact CE1-CG1 3.77Å; F912-V1044 HydrophobicContact CE1-CG2 4.37Å; F912-V1044 HydrophobicContact CG-CG1 4.19Å; F912-V1044 HydrophobicContact CZ-CB 4.15Å; F912-V1044 HydrophobicContact CZ-CG1 4.41Å
913	F	91	Very high	92.9	Very high	12 Å²	12	19.2 Å²	19.2	5%	0.053	9%	0.09	C	C	.	.			trans	-119.1	112.8	178.1	-173.7	-82.8	0	0	0	109.9	K784 M787 M788 L908 Q909 K910 I927	K784-F913 HydrophobicContact CB-CE1 4.26Å; K784-F913 HydrophobicContact CB-CZ 4.13Å; K784-F913 HydrophobicContact CD-CE1 4.37Å; K784-F913 HydrophobicContact CG-CE1 3.9Å; K784-F913 HydrophobicContact CG-CZ 4.26Å; M787-F913 HydrophobicContact CB-CE2 4.14Å; M787-F913 HydrophobicContact CB-CZ 3.85Å; M787-F913 HydrophobicContact CE-CE2 4.33Å; M787-F913 HydrophobicContact CE-CZ 4.38Å; M787-F913 HydrophobicContact CG-CE2 3.88Å; M787-F913 HydrophobicContact CG-CZ 3.84Å; M787-F913 HydrophobicContact SD-CE1 4.23Å; M787-F913 HydrophobicContact SD-CE2 3.92Å; M787-F913 HydrophobicContact SD-CZ 3.51Å; M787-F913 VanDerWaalsContact SD-CZ 3.51Å; M788-F913 HydrophobicContact CG-CD2 4.45Å; M788-F913 HydrophobicContact CG-CE2 4Å; M788-F913 HydrophobicContact SD-CD2 3.98Å; M788-F913 HydrophobicContact SD-CE2 3.98Å; L908-F913 HydrophobicContact CD2-CD2 4.19Å; Q909-F913 CarbonylContact C-O 3.41Å; Q909-F913 VanDerWaalsContact C-O 3.3Å; Q909-F913 PolarHBondContact O-N 3.37Å; K910-F913 PolarHBondContact N-O 3.14Å; F913-I927 HydrophobicContact CD2-CG1 4.42Å; F913-I927 HydrophobicContact CD2-CG2 4.02Å
914	W	87.5	Confident	92.9	Very high	16 Å²	16	19.4 Å²	19.4	6%	0.061	9%	0.091	C	C	.	.			trans	-89.2	-28.7	-175.4	-67.3	86.9	0	0	0	113.6	A417 K910 P911 Y918 L922	A417-W914 HydrophobicContact CB-CZ3 4.13Å; K910-W914 HydrophobicContact CD-CE3 4.31Å; K910-W914 HydrophobicContact CD-CZ3 4.45Å; K910-W914 HydrophobicContact CG-CE3 4.17Å; P911-W914 HydrophobicContact CB-CH2 4.24Å; P911-W914 HydrophobicContact CB-CZ2 3.59Å; P911-W914 PolarHBondContact O-NE1 3.12Å; W914-Y918 HydrophobicContact CB-CD1 4.38Å; W914-Y918 HydrophobicContact CB-CD2 4.11Å; W914-Y918 HydrophobicContact CB-CG 3.8Å; W914-Y918 HydrophobicContact CD2-CD1 4.37Å; W914-Y918 AromaticContact CE3-CD1 3.52Å; W914-Y918 HydrophobicContact CE3-CD1 3.52Å; W914-Y918 AromaticContact CE3-CE1 3.73Å; W914-Y918 HydrophobicContact CE3-CE1 3.73Å; W914-Y918 HydrophobicContact CE3-CG 4.12Å; W914-Y918 HydrophobicContact CZ3-CD1 4.21Å; W914-Y918 HydrophobicContact CZ3-CE1 4.13Å; W914-Y918 WeakPolarHBondContact O-CD2 3.31Å; W914-Y918 VanDerWaalsContact O-CE2 3.22Å; W914-Y918 WeakPolarHBondContact O-CE2 3.12Å; W914-L922 HydrophobicContact CD2-CB 4.39Å; W914-L922 HydrophobicContact CD2-CD1 4.2Å; W914-L922 HydrophobicContact CE3-CD1 4.46Å; W914-L922 HydrophobicContact CG-CB 4.05Å
915	G	87.3	Confident	92.9	Very high	10 Å²	10	19.4 Å²	19.4	10%	0.103	9%	0.091	C	C	.	.			trans	97.4	-175.4	-173.6	0	0	0	0	0	112.7
916	K	87.9	Confident	93	Very high	103 Å²	103	19.4 Å²	19.4	45%	0.448	9%	0.09	S	C	.	.	S	Bend	trans	-87.1	-16.9	-173.9	-63.9	-171	178.7	176.3	0	113.2	M787 Y918	M787-K916 HydrophobicContact SD-CG 3.86Å; K916-Y918 VanDerWaalsContact C-N 3.27Å
917	E	89.5	Confident	93.1	Very high	112 Å²	112	19.4 Å²	19.4	52%	0.523	9%	0.09	S	C	.	.	S	Bend	trans	-81.1	-9.7	-177.3	-57.6	71.1	-156.3	0	0	112.5	E413	E413-E917 HydrophobicContact CB-CB 4.36Å; E413-E917 HydrophobicContact CG-CB 3.83Å
918	Y	93	Very high	93.2	Very high	18 Å²	18	19.4 Å²	19.4	7%	0.071	9%	0.09	C	C	.	.	S	Bend	trans	-105.1	156.6	179.1	-65.3	-99.6	0	0	0	110.1	E413 E416 A417 K910 W914 K916 R920	E413-Y918 HydrophobicContact CB-CD1 4.15Å; E413-Y918 HydrophobicContact CB-CD2 4.27Å; E413-Y918 HydrophobicContact CB-CE1 3.72Å; E413-Y918 HydrophobicContact CB-CE2 3.8Å; E413-Y918 HydrophobicContact CB-CG 4.4Å; E413-Y918 VanDerWaalsContact CB-CZ 3.45Å; E413-Y918 HydrophobicContact CG-CE1 4.47Å; E413-Y918 HydrophobicContact CG-CE2 3.79Å; E413-Y918 WeakPolarHBondContact CG-OH 3.43Å; E413-Y918 WeakPolarHBondContact O-CE1 3.47Å; E416-Y918 PolarHBondContact OE2-OH 3.03Å; A417-Y918 HydrophobicContact CB-CD1 3.9Å; A417-Y918 HydrophobicContact CB-CE1 4.18Å; K910-Y918 VanDerWaalsContact CE-CZ 3.41Å; K910-Y918 VanDerWaalsContact CE-OH 3.3Å; K910-Y918 WeakPolarHBondContact CE-OH 3.19Å; K910-Y918 PolarHBondContact NZ-OH 2.65Å; W914-Y918 HydrophobicContact CB-CD1 4.38Å; W914-Y918 HydrophobicContact CB-CD2 4.11Å; W914-Y918 HydrophobicContact CB-CG 3.8Å; W914-Y918 HydrophobicContact CD2-CD1 4.37Å; W914-Y918 AromaticContact CE3-CD1 3.52Å; W914-Y918 HydrophobicContact CE3-CD1 3.52Å; W914-Y918 AromaticContact CE3-CE1 3.73Å; W914-Y918 HydrophobicContact CE3-CE1 3.73Å; W914-Y918 HydrophobicContact CE3-CG 4.12Å; W914-Y918 HydrophobicContact CZ3-CD1 4.21Å; W914-Y918 HydrophobicContact CZ3-CE1 4.13Å; W914-Y918 WeakPolarHBondContact O-CD2 3.31Å; W914-Y918 VanDerWaalsContact O-CE2 3.22Å; W914-Y918 WeakPolarHBondContact O-CE2 3.12Å; K916-Y918 VanDerWaalsContact C-N 3.27Å; Y918-R920 PolarHBondContact O-N 3.36Å
919	P	94.3	Very high	93.4	Very high	9 Å²	9	19.4 Å²	19.4	6%	0.058	9%	0.09	C	C	.	.			trans	-52.3	132.5	171.7	-25.7	34.5	0	0	0	111.4	S921 L922 E1023 L1026	P919-S921 WeakPolarHBondContact CB-OG 3.4Å; P919-S921 PolarHBondContact O-N 2.9Å; P919-L922 HydrophobicContact CB-CG 4.5Å; P919-L922 PolarHBondContact O-N 3.45Å; P919-L922 VanDerWaalsContact O-N 3.14Å; P919-E1023 WeakPolarHBondContact CA-OE1 3.02Å; P919-L1026 HydrophobicContact CG-CD2 3.68Å; P919-L1026 HydrophobicContact CG-CG 4.14Å
920	R	94.6	Very high	93.7	Very high	22 Å²	22	19 Å²	19	8%	0.083	9%	0.088	C	C	.	.	H	α-helix	trans	-66.4	-27.5	-178.6	-65.9	-45.9	-168.4	102.6	12.5	111.7	E790 Y918 L922 S923 Y924 Y1010 W1013 E1023	E790-R920 IonicContact OE1-CZ 2.7Å; E790-R920 IonicContact OE1-NH1 3.48Å; E790-R920 PolarHBondContact OE1-NH1 2.84Å; E790-R920 IonicContact OE1-NH2 3.32Å; Y918-R920 PolarHBondContact O-N 3.36Å; R920-L922 PolarHBondContact O-N 3.23Å; R920-S923 PolarHBondContact O-N 3.39Å; R920-S923 VanDerWaalsContact O-N 3.08Å; R920-Y924 HydrophobicContact CB-CD2 4.05Å; R920-Y924 HydrophobicContact CB-CE2 4.23Å; R920-Y924 WeakPolarHBondContact O-CD2 3.38Å; R920-Y924 PolarHBondContact O-N 3Å; R920-Y1010 HydrophobicContact CB-CE2 4.22Å; R920-W1013 HydrophobicContact CB-CD2 4.43Å; R920-W1013 HydrophobicContact CB-CE3 4.01Å; R920-W1013 HydrophobicContact CB-CH2 3.92Å; R920-W1013 HydrophobicContact CB-CZ2 4.35Å; R920-W1013 HydrophobicContact CB-CZ3 3.72Å; R920-W1013 HydrophobicContact CG-CD2 4.31Å; R920-W1013 HydrophobicContact CG-CE3 4.16Å; R920-W1013 HydrophobicContact CG-CH2 3.3Å; R920-W1013 HydrophobicContact CG-CZ2 3.46Å; R920-W1013 VanDerWaalsContact CG-CZ2 3.46Å; R920-W1013 HydrophobicContact CG-CZ3 3.67Å; R920-E1023 WeakPolarHBondContact CB-OE1 3.38Å; R920-E1023 PolarHBondContact N-OE1 2.95Å; R920-E1023 PolarHBondContact N-OE2 2.87Å
921	S	96.7	Very high	94.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-44.7	-44.7	167.8	54.8	0	0	0	0	113	P919 G925 E1023 N1033 F1037	P919-S921 WeakPolarHBondContact CB-OG 3.4Å; P919-S921 PolarHBondContact O-N 2.9Å; S921-G925 PolarHBondContact O-N 3.22Å; S921-E1023 PolarHBondContact N-OE2 3.08Å; S921-E1023 VanDerWaalsContact N-OE2 3.08Å; S921-N1033 WeakPolarHBondContact CB-O 3.47Å; S921-N1033 PolarHBondContact OG-OD1 3.27Å; S921-F1037 WeakPolarHBondContact O-CA 3.23Å
922	L	96.6	Very high	94.5	Very high	1 Å²	1	15 Å²	15	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-67.4	-44.1	179.9	-58	-178.6	0	0	0	112.5	A417 I421 W914 P919 R920 G925 A926 L1026 L1036 S1040	A417-L922 HydrophobicContact CB-CD1 3.86Å; I421-L922 HydrophobicContact CD1-CD1 4.4Å; I421-L922 HydrophobicContact CD1-CD2 3.77Å; W914-L922 HydrophobicContact CD2-CB 4.39Å; W914-L922 HydrophobicContact CD2-CD1 4.2Å; W914-L922 HydrophobicContact CE3-CD1 4.46Å; W914-L922 HydrophobicContact CG-CB 4.05Å; P919-L922 HydrophobicContact CB-CG 4.5Å; P919-L922 PolarHBondContact O-N 3.45Å; P919-L922 VanDerWaalsContact O-N 3.14Å; R920-L922 PolarHBondContact O-N 3.23Å; L922-G925 PolarHBondContact O-N 3.1Å; L922-A926 WeakPolarHBondContact O-CB 3.28Å; L922-A926 PolarHBondContact O-N 3.29Å; L922-L1026 HydrophobicContact CD1-CD1 4.4Å; L922-L1036 HydrophobicContact CD2-CB 4.07Å; L922-S1040 WeakPolarHBondContact O-CB 3.42Å; L922-S1040 PolarHBondContact O-OG 3.32Å
923	S	95.4	Very high	94.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-69.8	-43.6	-179.6	-67.7	0	0	0	0	112.1	M787 R920 G925 A926 I927 G928	M787-S923 VanDerWaalsContact CE-CB 3.42Å; M787-S923 WeakPolarHBondContact CE-OG 3.34Å; R920-S923 PolarHBondContact O-N 3.39Å; R920-S923 VanDerWaalsContact O-N 3.08Å; S923-G925 VanDerWaalsContact C-N 3.31Å; S923-G925 PolarHBondContact O-N 2.89Å; S923-A926 PolarHBondContact O-N 3.32Å; S923-I927 VanDerWaalsContact O-CG2 3.29Å; S923-I927 WeakPolarHBondContact O-CG2 3.02Å; S923-I927 PolarHBondContact O-N 3.23Å; S923-I927 VanDerWaalsContact O-N 3.15Å; S923-G928 PolarHBondContact O-N 2.62Å
924	Y	97.5	Very high	95.2	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.016	7%	0.071	C	C	.	.	I	π-helix	trans	-64.1	-37.9	174.9	-84.5	-84.5	0	0	0	111.4	L791 R920 A926 G928 V929 A1006 A1009 Y1010 W1013 F1037	L791-Y924 HydrophobicContact CD2-CD1 3.72Å; L791-Y924 HydrophobicContact CD2-CD2 4.02Å; L791-Y924 HydrophobicContact CD2-CE1 3.52Å; L791-Y924 HydrophobicContact CD2-CE2 3.85Å; L791-Y924 HydrophobicContact CD2-CG 3.96Å; R920-Y924 HydrophobicContact CB-CD2 4.05Å; R920-Y924 HydrophobicContact CB-CE2 4.23Å; R920-Y924 WeakPolarHBondContact O-CD2 3.38Å; R920-Y924 PolarHBondContact O-N 3Å; Y924-A926 VanDerWaalsContact C-N 3.32Å; Y924-A926 PolarHBondContact O-N 2.9Å; Y924-G928 CarbonylContact O-C 3.56Å; Y924-G928 VanDerWaalsContact O-CA 3.29Å; Y924-G928 WeakPolarHBondContact O-CA 3.03Å; Y924-V929 WeakPolarHBondContact O-CG2 3.08Å; Y924-V929 PolarHBondContact O-N 3.36Å; Y924-A1006 WeakPolarHBondContact CD1-O 3.21Å; Y924-A1009 HydrophobicContact CD1-CB 4.19Å; Y924-A1009 HydrophobicContact CE1-CB 3.72Å; Y924-Y1010 AromaticContact CD2-CD2 3.66Å; Y924-Y1010 HydrophobicContact CD2-CD2 3.66Å; Y924-Y1010 HydrophobicContact CD2-CG 4.31Å; Y924-Y1010 HydrophobicContact CE2-CD2 4.25Å; Y924-Y1010 HydrophobicContact CG-CD2 4.06Å; Y924-Y1010 HydrophobicContact CG-CG 4.26Å; Y924-W1013 HydrophobicContact CE2-CB 4.12Å; Y924-W1013 HydrophobicContact CE2-CD2 4.42Å; Y924-W1013 HydrophobicContact CE2-CG 4.06Å; Y924-F1037 WeakPolarHBondContact O-CE2 3.37Å
925	G	97.3	Very high	95.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.069	C	C	.	.	I	π-helix	trans	-71.7	-21.8	177.7	0	0	0	0	0	114.6	S921 L922 S923 V929 F1037 Y1041	S921-G925 PolarHBondContact O-N 3.22Å; L922-G925 PolarHBondContact O-N 3.1Å; S923-G925 VanDerWaalsContact C-N 3.31Å; S923-G925 PolarHBondContact O-N 2.89Å; G925-V929 VanDerWaalsContact O-CG2 3.29Å; G925-V929 WeakPolarHBondContact O-CG2 3.45Å; G925-F1037 VanDerWaalsContact CA-CD2 3.43Å; G925-F1037 VanDerWaalsContact CA-CE2 3.5Å; G925-F1037 WeakPolarHBondContact CA-O 3.37Å; G925-F1037 VanDerWaalsContact N-CD2 3.26Å; G925-Y1041 WeakPolarHBondContact O-CA 3.37Å; G925-Y1041 VanDerWaalsContact O-CB 3.26Å; G925-Y1041 WeakPolarHBondContact O-CB 3.38Å; G925-Y1041 PolarHBondContact O-N 3.03Å; G925-Y1041 VanDerWaalsContact O-N 3.11Å
926	A	96.5	Very high	96.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	6%	0.064	C	C	.	.	I	π-helix	trans	-104	-93.9	177	0	0	0	0	0	111.6	F912 L922 S923 Y924 G928 V929 I930 S1040 V1044	F912-A926 VanDerWaalsContact O-CB 3.24Å; F912-A926 WeakPolarHBondContact O-CB 3.49Å; L922-A926 WeakPolarHBondContact O-CB 3.28Å; L922-A926 PolarHBondContact O-N 3.29Å; S923-A926 PolarHBondContact O-N 3.32Å; Y924-A926 VanDerWaalsContact C-N 3.32Å; Y924-A926 PolarHBondContact O-N 2.9Å; A926-G928 PolarHBondContact O-N 2.86Å; A926-V929 PolarHBondContact O-N 2.84Å; A926-I930 PolarHBondContact O-N 2.89Å; A926-S1040 WeakPolarHBondContact CB-OG 3.16Å; A926-V1044 HydrophobicContact CB-CG1 3.81Å
927	I	97.1	Very high	96.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.047	C	C	.	.	I	π-helix	trans	-59.6	-30.6	-178.4	-168.9	63.5	0	0	0	112.9	M788 L791 E907 L908 F912 F913 S923 I930 V931	M788-I927 HydrophobicContact CE-CD1 4.29Å; M788-I927 HydrophobicContact CE-CG1 3.9Å; M788-I927 HydrophobicContact SD-CD1 4.35Å; M788-I927 HydrophobicContact SD-CG1 3.52Å; M788-I927 VanDerWaalsContact SD-CG1 3.52Å; L791-I927 HydrophobicContact CD1-CG2 3.7Å; E907-I927 HydrophobicContact CG-CD1 4.5Å; L908-I927 HydrophobicContact CD2-CD1 4.05Å; L908-I927 HydrophobicContact CD2-CG1 4.28Å; F912-I927 WeakPolarHBondContact O-CB 3.35Å; F912-I927 WeakPolarHBondContact O-CG2 3.48Å; F912-I927 PolarHBondContact O-N 2.89Å; F913-I927 HydrophobicContact CD2-CG1 4.42Å; F913-I927 HydrophobicContact CD2-CG2 4.02Å; S923-I927 VanDerWaalsContact O-CG2 3.29Å; S923-I927 WeakPolarHBondContact O-CG2 3.02Å; S923-I927 PolarHBondContact O-N 3.23Å; S923-I927 VanDerWaalsContact O-N 3.15Å; I927-I930 HydrophobicContact CD1-CB 4.31Å; I927-I930 HydrophobicContact CD1-CD1 4.39Å; I927-I930 HydrophobicContact CD1-CG2 4.44Å; I927-I930 PolarHBondContact O-N 2.96Å; I927-V931 WeakPolarHBondContact O-CG2 3.24Å; I927-V931 PolarHBondContact O-N 2.96Å
928	G	97.8	Very high	97.2	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.022	C	C	.	.	I	π-helix	trans	-61.8	-45.6	173.9	0	0	0	0	0	112.1	I795 S923 Y924 A926 I930 V931 G932	I795-G928 WeakPolarHBondContact CD1-O 3.45Å; S923-G928 PolarHBondContact O-N 2.62Å; Y924-G928 CarbonylContact O-C 3.56Å; Y924-G928 VanDerWaalsContact O-CA 3.29Å; Y924-G928 WeakPolarHBondContact O-CA 3.03Å; A926-G928 PolarHBondContact O-N 2.86Å; G928-I930 VanDerWaalsContact C-N 3.28Å; G928-I930 PolarHBondContact O-N 3.46Å; G928-V931 PolarHBondContact O-N 3.43Å; G928-G932 PolarHBondContact O-N 3.03Å
929	V	98.3	Very high	97.4	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-63.8	-35.8	175.4	-178.2	0	0	0	0	111.6	Y924 G925 A926 G932 H933 I1003 A1006 F1037 Y1041	Y924-V929 WeakPolarHBondContact O-CG2 3.08Å; Y924-V929 PolarHBondContact O-N 3.36Å; G925-V929 VanDerWaalsContact O-CG2 3.29Å; G925-V929 WeakPolarHBondContact O-CG2 3.45Å; A926-V929 PolarHBondContact O-N 2.84Å; V929-G932 PolarHBondContact O-N 3.03Å; V929-H933 VanDerWaalsContact O-CB 3.28Å; V929-H933 WeakPolarHBondContact O-CB 3.35Å; V929-H933 PolarHBondContact O-N 3.46Å; V929-I1003 HydrophobicContact CG1-CB 4.16Å; V929-I1003 HydrophobicContact CG2-CG1 4.34Å; V929-A1006 HydrophobicContact CB-CB 4.35Å; V929-A1006 HydrophobicContact CG2-CB 3.74Å; V929-F1037 HydrophobicContact CG2-CE2 4.42Å; V929-F1037 HydrophobicContact CG2-CZ 3.84Å; V929-Y1041 HydrophobicContact CB-CD2 3.85Å; V929-Y1041 HydrophobicContact CB-CE2 4.31Å; V929-Y1041 HydrophobicContact CG1-CD2 3.42Å; V929-Y1041 VanDerWaalsContact CG1-CD2 3.42Å; V929-Y1041 HydrophobicContact CG1-CE2 3.38Å; V929-Y1041 HydrophobicContact CG2-CD2 3.83Å
930	I	98.2	Very high	97.6	Very high	6 Å²	6	3.9 Å²	3.9	3%	0.031	2%	0.018	C	C	.	.	H	α-helix	trans	-65	-42	175.3	-64.2	170.5	0	0	0	110.7	Y459 A892 F903 F912 A926 I927 G928 G932 H933 E934	Y459-I930 WeakPolarHBondContact OH-CD1 3.47Å; A892-I930 HydrophobicContact CB-CG2 3.5Å; A892-I930 VanDerWaalsContact CB-CG2 3.5Å; F903-I930 HydrophobicContact CD1-CG2 4.44Å; F903-I930 HydrophobicContact CE1-CG2 4.12Å; F912-I930 HydrophobicContact CD1-CD1 3.63Å; F912-I930 HydrophobicContact CE1-CD1 4.24Å; A926-I930 PolarHBondContact O-N 2.89Å; I927-I930 HydrophobicContact CD1-CB 4.31Å; I927-I930 HydrophobicContact CD1-CD1 4.39Å; I927-I930 HydrophobicContact CD1-CG2 4.44Å; I927-I930 PolarHBondContact O-N 2.96Å; G928-I930 VanDerWaalsContact C-N 3.28Å; G928-I930 PolarHBondContact O-N 3.46Å; I930-G932 VanDerWaalsContact C-N 3.32Å; I930-G932 PolarHBondContact O-N 3.47Å; I930-H933 WeakPolarHBondContact O-CB 3.49Å; I930-H933 PolarHBondContact O-N 2.92Å; I930-E934 WeakPolarHBondContact O-CG 3.24Å; I930-E934 PolarHBondContact O-N 2.62Å
931	V	98.5	Very high	97.6	Very high	1 Å²	1	5.2 Å²	5.2	1%	0.006	3%	0.026	C	C	.	.	H	α-helix	trans	-61.3	-43	175.2	170.7	0	0	0	0	111.3	M788 I792 I795 F903 I927 G928 L935	M788-V931 HydrophobicContact CE-CG2 3.53Å; I792-V931 HydrophobicContact CB-CG1 4.29Å; I792-V931 HydrophobicContact CG1-CG1 3.63Å; I792-V931 HydrophobicContact CG1-CG2 4.2Å; I795-V931 HydrophobicContact CB-CG1 4.17Å; I795-V931 HydrophobicContact CD1-CB 3.52Å; I795-V931 HydrophobicContact CD1-CG1 3.5Å; I795-V931 HydrophobicContact CG1-CG1 4.46Å; I795-V931 HydrophobicContact CG2-CG1 4.12Å; F903-V931 HydrophobicContact CD1-CG2 4.37Å; F903-V931 HydrophobicContact CE1-CB 4.34Å; F903-V931 HydrophobicContact CE1-CG2 3.73Å; F903-V931 HydrophobicContact CE2-CG2 4.09Å; F903-V931 HydrophobicContact CZ-CB 4.02Å; F903-V931 HydrophobicContact CZ-CG1 4.24Å; F903-V931 HydrophobicContact CZ-CG2 3.59Å; I927-V931 WeakPolarHBondContact O-CG2 3.24Å; I927-V931 PolarHBondContact O-N 2.96Å; G928-V931 PolarHBondContact O-N 3.43Å; V931-L935 WeakPolarHBondContact O-CB 3.26Å; V931-L935 PolarHBondContact O-N 3.28Å
932	G	98.5	Very high	97.5	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-63.5	-43.7	174.5	0	0	0	0	0	112.2	G928 V929 I930 E934 L935 T936 G1002 E1005	G928-G932 PolarHBondContact O-N 3.03Å; V929-G932 PolarHBondContact O-N 3.03Å; I930-G932 VanDerWaalsContact C-N 3.32Å; I930-G932 PolarHBondContact O-N 3.47Å; G932-E934 PolarHBondContact O-N 3.2Å; G932-L935 WeakPolarHBondContact O-CB 3.44Å; G932-L935 PolarHBondContact O-N 3.21Å; G932-L935 VanDerWaalsContact O-N 3.1Å; G932-T936 WeakPolarHBondContact O-CB 3.06Å; G932-T936 PolarHBondContact O-N 2.04Å; G932-T936 PolarHBondContact O-OG1 3.01Å; G932-G1002 VanDerWaalsContact C-CA 3.48Å; G932-E1005 WeakPolarHBondContact CA-OE2 3.36Å
933	H	98.7	Very high	97.4	Very high	7 Å²	7	7.6 Å²	7.6	3%	0.032	4%	0.039	C	C	.	.	H	α-helix	trans	-55.3	-49.7	176.2	-177.1	93	0	0	0	111.9	V929 I930 L935 T936 H937 E995 A998 D999 R1069	V929-H933 VanDerWaalsContact O-CB 3.28Å; V929-H933 WeakPolarHBondContact O-CB 3.35Å; V929-H933 PolarHBondContact O-N 3.46Å; I930-H933 WeakPolarHBondContact O-CB 3.49Å; I930-H933 PolarHBondContact O-N 2.92Å; H933-L935 VanDerWaalsContact C-N 3.34Å; H933-L935 PolarHBondContact O-N 3.34Å; H933-T936 PolarHBondContact O-N 2.91Å; H933-H937 AromaticContact CD2-CD2 3.84Å; H933-H937 AromaticContact CD2-NE2 3.61Å; H933-H937 AromaticContact NE2-CD2 3.98Å; H933-H937 AromaticContact NE2-NE2 3.26Å; H933-H937 PolarHBondContact NE2-NE2 3.41Å; H933-H937 PolarHBondContact O-N 3.4Å; H933-E995 IonicContact CE1-OE2 3.2Å; H933-E995 PolarHBondContact CE1-OE2 3.35Å; H933-E995 IonicContact NE2-OE2 2.69Å; H933-E995 PolarHBondContact NE2-OE2 3.09Å; H933-A998 VanDerWaalsContact CE1-CB 3.41Å; H933-A998 WeakPolarHBondContact CE1-CB 3.24Å; H933-A998 VanDerWaalsContact ND1-CB 3.31Å; H933-A998 WeakPolarHBondContact ND1-CB 3.36Å; H933-D999 IonicContact CE1-OD1 2.79Å; H933-D999 PolarHBondContact ND1-N 3.37Å; H933-D999 IonicContact ND1-OD1 2.68Å; H933-D999 PolarHBondContact ND1-OD1 3.48Å; H933-R1069 PolarHBondContact CE1-NH2 2.99Å
934	E	98.5	Very high	97.5	Very high	11 Å²	11	8.5 Å²	8.5	5%	0.051	4%	0.042	C	C	.	.	H	α-helix	trans	-66.7	-32.9	177	-59.7	-48.1	146.3	0	0	113.1	A892 F893 Y894 I901 F903 I930 G932 H937	A892-E934 HydrophobicContact CB-CG 3.75Å; A892-E934 WeakPolarHBondContact CB-OE1 3.06Å; F893-E934 WeakPolarHBondContact CA-OE2 3.44Å; Y894-E934 WeakPolarHBondContact CB-O 3.2Å; Y894-E934 PolarHBondContact N-OE2 3.44Å; I901-E934 HydrophobicContact CB-CB 4.03Å; I901-E934 HydrophobicContact CG2-CB 3.67Å; I901-E934 WeakPolarHBondContact CG2-O 3.27Å; F903-E934 HydrophobicContact CE1-CB 4.36Å; F903-E934 HydrophobicContact CE1-CG 3.82Å; F903-E934 HydrophobicContact CZ-CB 4.15Å; F903-E934 HydrophobicContact CZ-CG 4.11Å; I930-E934 WeakPolarHBondContact O-CG 3.24Å; I930-E934 PolarHBondContact O-N 2.62Å; G932-E934 PolarHBondContact O-N 3.2Å; E934-H937 IonicContact OE2-CD2 2.63Å
935	L	98.6	Very high	97.4	Very high	4 Å²	4	9.3 Å²	9.3	2%	0.021	5%	0.046	C	C	.	.	H	α-helix	trans	-67.6	-45.6	173.9	-178.5	63	0	0	0	111	I795 R796 F799 V825 V931 G932 H933 H937 G938 F939	I795-L935 HydrophobicContact CG2-CD2 4.1Å; R796-L935 HydrophobicContact CB-CD2 4.41Å; F799-L935 HydrophobicContact CB-CD2 3.82Å; F799-L935 HydrophobicContact CG-CD2 4.21Å; V825-L935 HydrophobicContact CB-CD1 4.09Å; V825-L935 HydrophobicContact CG1-CD1 4.06Å; V825-L935 HydrophobicContact CG2-CD1 3.89Å; V931-L935 WeakPolarHBondContact O-CB 3.26Å; V931-L935 PolarHBondContact O-N 3.28Å; G932-L935 WeakPolarHBondContact O-CB 3.44Å; G932-L935 PolarHBondContact O-N 3.21Å; G932-L935 VanDerWaalsContact O-N 3.1Å; H933-L935 VanDerWaalsContact C-N 3.34Å; H933-L935 PolarHBondContact O-N 3.34Å; L935-H937 VanDerWaalsContact C-N 3.26Å; L935-H937 PolarHBondContact O-N 3.18Å; L935-G938 PolarHBondContact O-N 2.93Å; L935-F939 WeakPolarHBondContact O-CD2 3.02Å
936	T	98.6	Very high	97.4	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-62.4	-30.8	178.6	-49.8	0	0	0	0	111.9	G932 H933 G938 F939 D940 I997 A998 G1002 E1005 W1102	G932-T936 WeakPolarHBondContact O-CB 3.06Å; G932-T936 PolarHBondContact O-N 2.04Å; G932-T936 PolarHBondContact O-OG1 3.01Å; H933-T936 PolarHBondContact O-N 2.91Å; T936-G938 PolarHBondContact O-N 2.76Å; T936-G938 VanDerWaalsContact O-N 3.12Å; T936-F939 CarbonylContact O-C 3.42Å; T936-F939 WeakPolarHBondContact O-CA 3.15Å; T936-F939 PolarHBondContact O-N 2.81Å; T936-D940 PolarHBondContact O-N 2.04Å; T936-I997 HydrophobicContact CG2-CG2 3.98Å; T936-A998 HydrophobicContact CG2-CB 4.46Å; T936-G1002 PolarHBondContact OG1-N 3.2Å; T936-E1005 PolarHBondContact OG1-OE1 3.06Å; T936-W1102 HydrophobicContact CG2-CG 4.26Å
937	H	98.5	Very high	97.4	Very high	19 Å²	19	11.2 Å²	11.2	9%	0.088	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-23.7	171.4	-85.2	-49.5	0	0	0	113.4	Y894 H933 E934 L935 F939 D940 G943 E995	Y894-H937 HydrophobicContact CD1-CB 3.69Å; Y894-H937 HydrophobicContact CG-CB 3.77Å; H933-H937 AromaticContact CD2-CD2 3.84Å; H933-H937 AromaticContact CD2-NE2 3.61Å; H933-H937 AromaticContact NE2-CD2 3.98Å; H933-H937 AromaticContact NE2-NE2 3.26Å; H933-H937 PolarHBondContact NE2-NE2 3.41Å; H933-H937 PolarHBondContact O-N 3.4Å; E934-H937 IonicContact OE2-CD2 2.63Å; L935-H937 VanDerWaalsContact C-N 3.26Å; L935-H937 PolarHBondContact O-N 3.18Å; H937-F939 PolarHBondContact O-N 3.33Å; H937-D940 IonicContact CE1-OD2 3.35Å; H937-D940 IonicContact CG-OD2 3.92Å; H937-D940 IonicContact ND1-OD2 3.51Å; H937-D940 PolarHBondContact ND1-OD2 2.83Å; H937-G943 WeakPolarHBondContact O-CA 3.32Å; H937-E995 IonicContact CE1-OE1 2.73Å; H937-E995 PolarHBondContact CE1-OE1 3.04Å; H937-E995 IonicContact CE1-OE2 3.87Å; H937-E995 PolarHBondContact CE1-OE2 3.41Å; H937-E995 IonicContact NE2-OE1 2.94Å; H937-E995 IonicContact NE2-OE2 2.81Å; H937-E995 PolarHBondContact NE2-OE2 2.89Å
938	G	97.6	Very high	97.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-15	168.5	0	0	0	0	0	114.4	K821 Y894 L935 T936 G943 R944	K821-G938 WeakPolarHBondContact CE-O 3.2Å; K821-G938 PolarHBondContact NZ-O 3.35Å; Y894-G938 VanDerWaalsContact CE1-CA 3.5Å; Y894-G938 WeakPolarHBondContact OH-CA 3.19Å; L935-G938 PolarHBondContact O-N 2.93Å; T936-G938 PolarHBondContact O-N 2.76Å; T936-G938 VanDerWaalsContact O-N 3.12Å; G938-G943 CarbonylContact O-C 3.45Å; G938-R944 PolarHBondContact O-N 3.44Å
939	F	98.2	Very high	97.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.9	6.7	-171.8	-51.8	-87.4	0	0	0	113.1	F799 A818 K821 A822 L935 T936 H937 W955 W1102	F799-F939 HydrophobicContact CD1-CE2 4.35Å; F799-F939 HydrophobicContact CE1-CD1 4.48Å; F799-F939 AromaticContact CE1-CD2 3.98Å; F799-F939 HydrophobicContact CE1-CD2 3.98Å; F799-F939 HydrophobicContact CE1-CE1 4.11Å; F799-F939 AromaticContact CE1-CE2 3.57Å; F799-F939 HydrophobicContact CE1-CE2 3.57Å; F799-F939 HydrophobicContact CE1-CG 4.42Å; F799-F939 AromaticContact CE1-CZ 3.64Å; F799-F939 HydrophobicContact CE1-CZ 3.64Å; F799-F939 AromaticContact CE2-CD2 3.93Å; F799-F939 HydrophobicContact CE2-CD2 3.93Å; F799-F939 HydrophobicContact CE2-CE2 4.29Å; F799-F939 HydrophobicContact CE2-CG 4.32Å; F799-F939 HydrophobicContact CZ-CB 4.38Å; F799-F939 AromaticContact CZ-CD1 3.98Å; F799-F939 HydrophobicContact CZ-CD1 3.98Å; F799-F939 AromaticContact CZ-CD2 3.41Å; F799-F939 HydrophobicContact CZ-CD2 3.41Å; F799-F939 VanDerWaalsContact CZ-CD2 3.41Å; F799-F939 HydrophobicContact CZ-CE1 4.07Å; F799-F939 AromaticContact CZ-CE2 3.53Å; F799-F939 HydrophobicContact CZ-CE2 3.53Å; F799-F939 AromaticContact CZ-CG 3.66Å; F799-F939 HydrophobicContact CZ-CG 3.66Å; F799-F939 AromaticContact CZ-CZ 3.86Å; F799-F939 HydrophobicContact CZ-CZ 3.86Å; A818-F939 HydrophobicContact CB-CD1 4.37Å; A818-F939 HydrophobicContact CB-CE1 3.95Å; K821-F939 HydrophobicContact CB-CE1 4.05Å; K821-F939 HydrophobicContact CB-CZ 4.14Å; K821-F939 HydrophobicContact CD-CE1 3.9Å; K821-F939 HydrophobicContact CD-CZ 4.21Å; K821-F939 HydrophobicContact CG-CE1 4.06Å; K821-F939 HydrophobicContact CG-CZ 3.98Å; A822-F939 HydrophobicContact CB-CE2 4.39Å; A822-F939 HydrophobicContact CB-CZ 3.91Å; L935-F939 WeakPolarHBondContact O-CD2 3.02Å; T936-F939 CarbonylContact O-C 3.42Å; T936-F939 WeakPolarHBondContact O-CA 3.15Å; T936-F939 PolarHBondContact O-N 2.81Å; H937-F939 PolarHBondContact O-N 3.33Å; F939-W955 HydrophobicContact CD1-CH2 4.33Å; F939-W955 HydrophobicContact CE1-CH2 4.21Å; F939-W1102 HydrophobicContact CB-CD2 4.48Å; F939-W1102 HydrophobicContact CB-CH2 3.87Å; F939-W1102 HydrophobicContact CB-CZ2 3.34Å; F939-W1102 HydrophobicContact CD1-CH2 4.48Å; F939-W1102 HydrophobicContact CG-CH2 4.49Å; F939-W1102 HydrophobicContact CG-CZ2 4.38Å; F939-W1102 WeakPolarHBondContact O-CZ2 3.39Å
940	D	97.4	Very high	97.2	Very high	7 Å²	7	18.4 Å²	18.4	4%	0.037	9%	0.09	C	C	.	.	S	Bend	trans	-66.9	-174.9	173.2	73	27.8	0	0	0	112.5	T936 H937 N942 G943 R944 A994 I997	T936-D940 PolarHBondContact O-N 2.04Å; H937-D940 IonicContact CE1-OD2 3.35Å; H937-D940 IonicContact CG-OD2 3.92Å; H937-D940 IonicContact ND1-OD2 3.51Å; H937-D940 PolarHBondContact ND1-OD2 2.83Å; D940-N942 PolarHBondContact O-N 2.82Å; D940-N942 VanDerWaalsContact OD1-CA 3.3Å; D940-N942 WeakPolarHBondContact OD1-CA 3.39Å; D940-N942 WeakPolarHBondContact OD1-CB 3.45Å; D940-N942 PolarHBondContact OD1-N 2.88Å; D940-G943 PolarHBondContact OD1-N 2.83Å; D940-R944 VanDerWaalsContact O-CB 3.29Å; D940-R944 WeakPolarHBondContact O-CB 3.41Å; D940-R944 VanDerWaalsContact O-CG 3.23Å; D940-R944 WeakPolarHBondContact O-CG 3.34Å; D940-R944 PolarHBondContact O-N 2.86Å; D940-R944 VanDerWaalsContact O-N 3.11Å; D940-A994 HydrophobicContact CB-CB 4.4Å; D940-I997 HydrophobicContact CB-CB 4.43Å; D940-I997 HydrophobicContact CB-CD1 4.46Å; D940-I997 HydrophobicContact CB-CG2 4.26Å
941	N	94.8	Very high	97.2	Very high	49 Å²	49	19.6 Å²	19.6	26%	0.262	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-13.9	-178.2	64.3	-68.8	0	0	0	114.7	K945 F964 L993 A994 I997	N941-K945 WeakPolarHBondContact O-CE 3.23Å; N941-F964 HydrophobicContact CB-CE1 4.11Å; N941-F964 HydrophobicContact CB-CZ 4.4Å; N941-L993 HydrophobicContact CB-CD2 4.12Å; N941-A994 WeakPolarHBondContact OD1-CA 3.48Å; N941-A994 VanDerWaalsContact OD1-CB 3.3Å; N941-A994 WeakPolarHBondContact OD1-CB 3.47Å; N941-A994 PolarHBondContact OD1-N 3.3Å; N941-I997 HydrophobicContact CB-CD1 4.34Å
942	N	94.2	Very high	97.1	Very high	52 Å²	52	20.2 Å²	20.2	28%	0.278	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-54.8	173.3	-175.3	54.5	0	0	0	112.5	S647 D940 R944 K945	S647-N942 WeakPolarHBondContact CB-OD1 3.46Å; S647-N942 PolarHBondContact OG-OD1 2.8Å; D940-N942 PolarHBondContact O-N 2.82Å; D940-N942 VanDerWaalsContact OD1-CA 3.3Å; D940-N942 WeakPolarHBondContact OD1-CA 3.39Å; D940-N942 WeakPolarHBondContact OD1-CB 3.45Å; D940-N942 PolarHBondContact OD1-N 2.88Å; N942-R944 VanDerWaalsContact C-N 3.28Å; N942-R944 PolarHBondContact O-N 3.42Å; N942-K945 VanDerWaalsContact O-CB 3.29Å; N942-K945 WeakPolarHBondContact O-CB 3.3Å; N942-K945 PolarHBondContact O-N 2.66Å
943	G	95.9	Very high	96.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-61.2	-32.2	-175.3	0	0	0	0	0	113.7	K821 H937 G938 D940 K945 Y946	K821-G943 PolarHBondContact NZ-O 3.5Å; H937-G943 WeakPolarHBondContact O-CA 3.32Å; G938-G943 CarbonylContact O-C 3.45Å; D940-G943 PolarHBondContact OD1-N 2.83Å; G943-K945 PolarHBondContact O-N 2.65Å; G943-Y946 PolarHBondContact O-N 2.84Å
944	R	96.3	Very high	96.4	Very high	18 Å²	18	29 Å²	29	7%	0.068	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-57.2	-21	174.9	76.5	169	-174.8	71.5	1	113.8	G938 D940 N942 Y946 W955 W956	G938-R944 PolarHBondContact O-N 3.44Å; D940-R944 VanDerWaalsContact O-CB 3.29Å; D940-R944 WeakPolarHBondContact O-CB 3.41Å; D940-R944 VanDerWaalsContact O-CG 3.23Å; D940-R944 WeakPolarHBondContact O-CG 3.34Å; D940-R944 PolarHBondContact O-N 2.86Å; D940-R944 VanDerWaalsContact O-N 3.11Å; N942-R944 VanDerWaalsContact C-N 3.28Å; N942-R944 PolarHBondContact O-N 3.42Å; R944-Y946 VanDerWaalsContact C-N 3.28Å; R944-W955 VanDerWaalsContact O-CE2 3.23Å; R944-W955 WeakPolarHBondContact O-CZ2 3.15Å; R944-W955 PolarHBondContact O-NE1 3.43Å; R944-W956 HydrophobicContact CB-CH2 4.19Å; R944-W956 HydrophobicContact CB-CZ2 3.67Å
945	K	96.1	Very high	96.3	Very high	21 Å²	21	29.2 Å²	29.2	9%	0.091	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-84.5	-6.2	-177.8	-56.8	170.9	173	-175.7	0	112.7	E648 N941 N942 G943 L952 D953	E648-K945 WeakPolarHBondContact OE1-CD 3.29Å; E648-K945 WeakPolarHBondContact OE1-CE 3.47Å; E648-K945 IonicContact OE1-NZ 2.7Å; E648-K945 PolarHBondContact OE1-NZ 3.25Å; E648-K945 IonicContact OE2-NZ 3.23Å; E648-K945 PolarHBondContact OE2-NZ 2.8Å; N941-K945 WeakPolarHBondContact O-CE 3.23Å; N942-K945 VanDerWaalsContact O-CB 3.29Å; N942-K945 WeakPolarHBondContact O-CB 3.3Å; N942-K945 PolarHBondContact O-N 2.66Å; G943-K945 PolarHBondContact O-N 2.65Å; K945-L952 HydrophobicContact CB-CD1 3.75Å; K945-L952 CarbonylContact O-C 3.57Å; K945-L952 WeakPolarHBondContact O-CA 3.37Å; K945-D953 CarbonylContact C-O 3.37Å; K945-D953 PolarHBondContact O-N 2.84Å
946	Y	97.4	Very high	96.2	Very high	12 Å²	12	29.6 Å²	29.6	5%	0.047	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-104.4	132.5	176.9	-68.9	-97.2	0	0	0	108.8	D566 S647 K821 G943 R944 G950 N951 L952 W955	D566-Y946 HydrophobicContact CB-CE1 4.28Å; D566-Y946 PolarHBondContact OD1-OH 3.04Å; S647-Y946 PolarHBondContact OG-OH 2.05Å; K821-Y946 WeakPolarHBondContact CE-O 3.35Å; K821-Y946 PolarHBondContact NZ-O 3.35Å; G943-Y946 PolarHBondContact O-N 2.84Å; R944-Y946 VanDerWaalsContact C-N 3.28Å; Y946-G950 WeakPolarHBondContact CD1-O 3.23Å; Y946-N951 CarbonylContact C-O 3.52Å; Y946-N951 VanDerWaalsContact CA-O 3.27Å; Y946-N951 WeakPolarHBondContact CA-O 3.34Å; Y946-L952 HydrophobicContact CD1-CB 4.31Å; Y946-L952 HydrophobicContact CD2-CD1 4.49Å; Y946-L952 HydrophobicContact CE1-CB 4.01Å; Y946-L952 HydrophobicContact CE2-CD1 4.1Å; Y946-W955 VanDerWaalsContact C-NE1 3.35Å; Y946-W955 PolarHBondContact O-NE1 2.02Å
947	D	96.7	Very high	96.1	Very high	29 Å²	29	31 Å²	31	16%	0.155	16%	0.155	C	C	.	.			trans	-71.4	-176.7	177.7	74.1	2.7	0	0	0	111.8	N949 G950 N951	D947-N949 PolarHBondContact O-N 2.9Å; D947-N949 VanDerWaalsContact O-N 3.14Å; D947-N949 WeakPolarHBondContact OD1-CA 3.46Å; D947-N949 WeakPolarHBondContact OD1-CB 3.26Å; D947-N949 PolarHBondContact OD1-N 3.47Å; D947-G950 PolarHBondContact O-N 3.32Å; D947-G950 PolarHBondContact OD1-N 2.87Å; D947-N951 PolarHBondContact N-O 3.32Å; D947-N951 PolarHBondContact OD1-N 3.46Å; D947-N951 PolarHBondContact OD2-ND2 2.85Å
948	K	96.9	Very high	96.1	Very high	89 Å²	89	38.2 Å²	38.2	39%	0.387	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.5	176	71.2	-178.1	176.7	-169.3	0	114.1	E820 K821 A824 N899	E820-K948 HydrophobicContact CB-CD 4.44Å; E820-K948 IonicContact OE2-NZ 3.26Å; E820-K948 PolarHBondContact OE2-NZ 2.96Å; K821-K948 HydrophobicContact CB-CB 4.22Å; K821-K948 HydrophobicContact CG-CB 4.44Å; A824-K948 HydrophobicContact CB-CB 3.82Å; N899-K948 PolarHBondContact ND2-O 3.12Å
949	N	96.1	Very high	96	Very high	62 Å²	62	43 Å²	43	33%	0.332	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	13.6	174.8	-65.6	-54.9	0	0	0	111.6	S569 R880 D947 N951	S569-N949 PolarHBondContact OG-O 3.38Å; R880-N949 PolarHBondContact NH1-OD1 3.29Å; R880-N949 VanDerWaalsContact NH1-OD1 3.12Å; R880-N949 PolarHBondContact NH2-O 2.78Å; D947-N949 PolarHBondContact O-N 2.9Å; D947-N949 VanDerWaalsContact O-N 3.14Å; D947-N949 WeakPolarHBondContact OD1-CA 3.46Å; D947-N949 WeakPolarHBondContact OD1-CB 3.26Å; D947-N949 PolarHBondContact OD1-N 3.47Å; N949-N951 WeakPolarHBondContact CB-ND2 3.44Å; N949-N951 PolarHBondContact O-N 2.96Å; N949-N951 VanDerWaalsContact O-N 3.16Å
950	G	96.1	Very high	96	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	61.2	25.3	179.4	0	0	0	0	0	114.7	S569 S896 Y946 D947	S569-G950 WeakPolarHBondContact CB-O 3.5Å; S896-G950 WeakPolarHBondContact O-CA 3.34Å; Y946-G950 WeakPolarHBondContact CD1-O 3.23Å; D947-G950 PolarHBondContact O-N 3.32Å; D947-G950 PolarHBondContact OD1-N 2.87Å
951	N	97.6	Very high	96	Very high	30 Å²	30	43.7 Å²	43.7	16%	0.16	22%	0.222	C	C	.	.			trans	-93.8	133.9	169.6	-55.4	-57.4	0	0	0	109.8	D566 N568 S569 Y946 D947 N949 D953	D566-N951 CarbonylContact O-C 3.53Å; D566-N951 WeakPolarHBondContact O-CA 3.46Å; N568-N951 WeakPolarHBondContact CA-OD1 3.16Å; S569-N951 PolarHBondContact N-OD1 2.81Å; S569-N951 PolarHBondContact OG-OD1 3.15Å; Y946-N951 CarbonylContact C-O 3.52Å; Y946-N951 VanDerWaalsContact CA-O 3.27Å; Y946-N951 WeakPolarHBondContact CA-O 3.34Å; D947-N951 PolarHBondContact N-O 3.32Å; D947-N951 PolarHBondContact OD1-N 3.46Å; D947-N951 PolarHBondContact OD2-ND2 2.85Å; N949-N951 WeakPolarHBondContact CB-ND2 3.44Å; N949-N951 PolarHBondContact O-N 2.96Å; N949-N951 VanDerWaalsContact O-N 3.16Å; N951-D953 PolarHBondContact O-N 2.85Å
952	L	96.5	Very high	96.2	Very high	14 Å²	14	44.3 Å²	44.3	7%	0.073	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-65.4	101	173.5	-179.1	69.3	0	0	0	109.1	D566 K567 Y651 K945 Y946	D566-L952 HydrophobicContact CB-CB 4.19Å; D566-L952 HydrophobicContact CB-CD2 4.36Å; D566-L952 VanDerWaalsContact O-CB 3.24Å; D566-L952 WeakPolarHBondContact O-CB 3.44Å; D566-L952 PolarHBondContact O-N 3.44Å; K567-L952 HydrophobicContact CG-CB 4.18Å; Y651-L952 HydrophobicContact CD2-CD2 4.47Å; Y651-L952 HydrophobicContact CG-CD2 4.33Å; K945-L952 HydrophobicContact CB-CD1 3.75Å; K945-L952 CarbonylContact O-C 3.57Å; K945-L952 WeakPolarHBondContact O-CA 3.37Å; Y946-L952 HydrophobicContact CD1-CB 4.31Å; Y946-L952 HydrophobicContact CD2-CD1 4.49Å; Y946-L952 HydrophobicContact CE1-CB 4.01Å; Y946-L952 HydrophobicContact CE2-CD1 4.1Å
953	D	92.6	Very high	96.3	Very high	93 Å²	93	42.7 Å²	42.7	50%	0.497	23%	0.228	S	C	.	.			trans	-147	145.9	-177.8	-170.9	30.2	0	0	0	110.6	K945 N951 W955	K945-D953 CarbonylContact C-O 3.37Å; K945-D953 PolarHBondContact O-N 2.84Å; N951-D953 PolarHBondContact O-N 2.85Å; D953-W955 VanDerWaalsContact O-CD1 3.22Å; D953-W955 PolarHBondContact O-N 3.23Å
954	Q	90.4	Very high	96.5	Very high	100 Å²	100	42.9 Å²	42.9	47%	0.467	23%	0.229	S	C	.	.			trans	-87.6	88.3	175.4	-179.3	74.5	-60	0	0	108.8
955	W	95.8	Very high	96.5	Very high	15 Å²	15	45.7 Å²	45.7	6%	0.057	25%	0.248	C	C	.	.			trans	-93.3	-3.5	-178.5	56.1	-88.9	0	0	0	113.9	K817 A818 K821 F939 R944 Y946 D953	K817-W955 HydrophobicContact CB-CE3 3.47Å; K817-W955 VanDerWaalsContact CB-CE3 3.47Å; K817-W955 HydrophobicContact CB-CZ3 3.65Å; K817-W955 HydrophobicContact CD-CB 4.21Å; K817-W955 HydrophobicContact CD-CE3 4Å; K817-W955 WeakPolarHBondContact CD-O 3.41Å; K817-W955 HydrophobicContact CG-CE3 4.42Å; K817-W955 PolarHBondContact NZ-O 2.92Å; A818-W955 HydrophobicContact CB-CH2 4Å; A818-W955 HydrophobicContact CB-CZ3 4Å; K821-W955 HydrophobicContact CD-CH2 4.15Å; K821-W955 HydrophobicContact CD-CZ2 3.68Å; F939-W955 HydrophobicContact CD1-CH2 4.33Å; F939-W955 HydrophobicContact CE1-CH2 4.21Å; R944-W955 VanDerWaalsContact O-CE2 3.23Å; R944-W955 WeakPolarHBondContact O-CZ2 3.15Å; R944-W955 PolarHBondContact O-NE1 3.43Å; Y946-W955 VanDerWaalsContact C-NE1 3.35Å; Y946-W955 PolarHBondContact O-NE1 2.02Å; D953-W955 VanDerWaalsContact O-CD1 3.22Å; D953-W955 PolarHBondContact O-N 3.23Å
956	W	97	Very high	96.5	Very high	11 Å²	11	51.7 Å²	51.7	4%	0.042	28%	0.277	C	S	.	.	S	Bend	trans	-92.4	151.1	176.1	-69.6	34.4	0	0	0	111.5	W809 M810 T814 R944 V961 F964 W1102	W809-W956 AromaticContact CH2-CH2 3.9Å; W809-W956 HydrophobicContact CH2-CH2 3.9Å; W809-W956 AromaticContact CH2-CZ3 3.75Å; W809-W956 HydrophobicContact CH2-CZ3 3.75Å; W809-W956 HydrophobicContact CZ3-CH2 4.38Å; W809-W956 AromaticContact CZ3-CZ3 3.76Å; W809-W956 HydrophobicContact CZ3-CZ3 3.76Å; M810-W956 HydrophobicContact CE-CH2 4.11Å; M810-W956 HydrophobicContact CE-CZ2 4.1Å; M810-W956 HydrophobicContact CE-CZ3 4.29Å; M810-W956 HydrophobicContact SD-CH2 4.49Å; T814-W956 HydrophobicContact CG2-CB 3.8Å; T814-W956 HydrophobicContact CG2-CD2 3.59Å; T814-W956 HydrophobicContact CG2-CE3 4.12Å; T814-W956 HydrophobicContact CG2-CG 3.44Å; T814-W956 VanDerWaalsContact CG2-CG 3.44Å; R944-W956 HydrophobicContact CB-CH2 4.19Å; R944-W956 HydrophobicContact CB-CZ2 3.67Å; W956-V961 HydrophobicContact CB-CG2 3.67Å; W956-V961 HydrophobicContact CE3-CG2 4.38Å; W956-V961 HydrophobicContact CG-CG2 4.5Å; W956-F964 AromaticContact CH2-CD2 3.84Å; W956-F964 HydrophobicContact CH2-CD2 3.84Å; W956-F964 HydrophobicContact CH2-CE2 4.28Å; W956-F964 HydrophobicContact CH2-CG 4.41Å; W956-F964 HydrophobicContact CZ3-CB 3.86Å; W956-F964 AromaticContact CZ3-CD2 3.82Å; W956-F964 HydrophobicContact CZ3-CD2 3.82Å; W956-F964 AromaticContact CZ3-CG 3.98Å; W956-F964 HydrophobicContact CZ3-CG 3.98Å; W956-W1102 AromaticContact CH2-CH2 3.45Å; W956-W1102 HydrophobicContact CH2-CH2 3.45Å; W956-W1102 VanDerWaalsContact CH2-CH2 3.45Å; W956-W1102 AromaticContact CH2-CZ2 3.76Å; W956-W1102 HydrophobicContact CH2-CZ2 3.76Å; W956-W1102 AromaticContact CZ2-CH2 3.76Å; W956-W1102 HydrophobicContact CZ2-CH2 3.76Å; W956-W1102 HydrophobicContact CZ2-CZ2 4.2Å
957	S	96.9	Very high	96.5	Very high	29 Å²	29	54 Å²	54	20%	0.203	29%	0.287	C	S	.	.			trans	-68.4	156.6	168.8	88.4	0	0	0	0	111.3	D811 T814 T959 S960 V961	D811-S957 WeakPolarHBondContact OD2-CB 3.48Å; D811-S957 PolarHBondContact OD2-OG 3.48Å; T814-S957 PolarHBondContact OG1-N 2.89Å; S957-T959 PolarHBondContact O-N 3.48Å; S957-T959 PolarHBondContact OG-N 3.05Å; S957-T959 PolarHBondContact OG-OG1 3.49Å; S957-S960 PolarHBondContact O-N 2.79Å; S957-S960 PolarHBondContact OG-N 2.82Å; S957-S960 VanDerWaalsContact OG-N 3.14Å; S957-V961 VanDerWaalsContact O-CG2 3.31Å; S957-V961 WeakPolarHBondContact O-CG2 3.25Å; S957-V961 PolarHBondContact O-N 2.8Å
958	E	96.9	Very high	96.6	Very high	172 Å²	172	53 Å²	53	80%	0.804	28%	0.282	S	S	*	.	H	α-helix	trans	-59.4	-37	175.8	-64.5	-176.2	170.4	0	0	112.1	V961 A962	E958-V961 PolarHBondContact O-N 2.96Å; E958-A962 WeakPolarHBondContact O-CB 3.45Å; E958-A962 PolarHBondContact O-N 3.49Å
959	T	97.3	Very high	96.6	Very high	99 Å²	99	52.8 Å²	52.8	61%	0.607	28%	0.282	S	S	*	.	H	α-helix	trans	-64.4	-45.7	178	61.3	0	0	0	0	112.4	S957 V961 A962 A963	S957-T959 PolarHBondContact O-N 3.48Å; S957-T959 PolarHBondContact OG-N 3.05Å; S957-T959 PolarHBondContact OG-OG1 3.49Å; T959-V961 VanDerWaalsContact C-N 3.3Å; T959-V961 PolarHBondContact O-N 3.48Å; T959-A962 PolarHBondContact O-N 3.32Å; T959-A963 WeakPolarHBondContact O-CB 3.27Å; T959-A963 PolarHBondContact O-N 3.26Å
960	S	98	Very high	96.7	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.3	-34.3	176.3	-71.1	0	0	0	0	111.8	D811 T814 S957 F964	D811-S960 PolarHBondContact N-OG 2.78Å; D811-S960 PolarHBondContact OD2-OG 3.45Å; T814-S960 PolarHBondContact OG1-OG 2.82Å; S957-S960 PolarHBondContact O-N 2.79Å; S957-S960 PolarHBondContact OG-N 2.82Å; S957-S960 VanDerWaalsContact OG-N 3.14Å; S960-F964 VanDerWaalsContact O-CB 3.32Å; S960-F964 WeakPolarHBondContact O-CB 3.22Å; S960-F964 PolarHBondContact O-N 3.48Å
961	V	97.3	Very high	96.8	Very high	23 Å²	23	52.1 Å²	52.1	14%	0.139	28%	0.281	C	S	.	.	H	α-helix	trans	-68.7	-41.7	175.7	171.7	0	0	0	0	111.9	W956 S957 E958 T959 F964 T965	W956-V961 HydrophobicContact CB-CG2 3.67Å; W956-V961 HydrophobicContact CE3-CG2 4.38Å; W956-V961 HydrophobicContact CG-CG2 4.5Å; S957-V961 VanDerWaalsContact O-CG2 3.31Å; S957-V961 WeakPolarHBondContact O-CG2 3.25Å; S957-V961 PolarHBondContact O-N 2.8Å; E958-V961 PolarHBondContact O-N 2.96Å; T959-V961 VanDerWaalsContact C-N 3.3Å; T959-V961 PolarHBondContact O-N 3.48Å; V961-F964 PolarHBondContact O-N 2.81Å; V961-T965 WeakPolarHBondContact O-CB 3.35Å; V961-T965 PolarHBondContact O-N 3.27Å; V961-T965 PolarHBondContact O-OG1 3.47Å
962	A	97.8	Very high	96.9	Very high	61 Å²	61	51.6 Å²	51.6	50%	0.504	28%	0.279	S	S	.	.	H	α-helix	trans	-62.9	-48.4	176	0	0	0	0	0	110.9	E958 T959 F964 T965 E966	E958-A962 WeakPolarHBondContact O-CB 3.45Å; E958-A962 PolarHBondContact O-N 3.49Å; T959-A962 PolarHBondContact O-N 3.32Å; A962-F964 PolarHBondContact O-N 2.89Å; A962-T965 WeakPolarHBondContact O-CB 3.42Å; A962-T965 PolarHBondContact O-N 3.48Å; A962-T965 VanDerWaalsContact O-N 3.11Å; A962-E966 PolarHBondContact O-N 3.13Å
963	A	97.9	Very high	97	Very high	19 Å²	19	54.7 Å²	54.7	16%	0.157	30%	0.295	C	S	.	.	H	α-helix	trans	-61.6	-41	177.3	0	0	0	0	0	112.7	W809 T959 T965 E966 K967	W809-A963 HydrophobicContact CB-CB 4.24Å; W809-A963 HydrophobicContact CE3-CB 3.89Å; T959-A963 WeakPolarHBondContact O-CB 3.27Å; T959-A963 PolarHBondContact O-N 3.26Å; A963-T965 VanDerWaalsContact C-N 3.31Å; A963-T965 PolarHBondContact O-N 2.78Å; A963-E966 PolarHBondContact O-N 3.13Å; A963-K967 WeakPolarHBondContact O-CG 3.23Å; A963-K967 PolarHBondContact O-N 3.4Å
964	F	98.2	Very high	97.2	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.018	27%	0.272	C	S	.	.	H	α-helix	trans	-60.5	-41.5	173	-179.2	-90.9	0	0	0	112.3	W809 N941 W956 S960 V961 A962 E966 K967 T968 I997 V1101 W1102	W809-F964 HydrophobicContact CH2-CB 4.14Å; W809-F964 AromaticContact CH2-CD2 3.71Å; W809-F964 HydrophobicContact CH2-CD2 3.71Å; W809-F964 HydrophobicContact CH2-CG 4.43Å; W809-F964 HydrophobicContact CZ2-CD2 4.44Å; W809-F964 HydrophobicContact CZ3-CB 3.75Å; W809-F964 HydrophobicContact CZ3-CD2 4.23Å; N941-F964 HydrophobicContact CB-CE1 4.11Å; N941-F964 HydrophobicContact CB-CZ 4.4Å; W956-F964 AromaticContact CH2-CD2 3.84Å; W956-F964 HydrophobicContact CH2-CD2 3.84Å; W956-F964 HydrophobicContact CH2-CE2 4.28Å; W956-F964 HydrophobicContact CH2-CG 4.41Å; W956-F964 HydrophobicContact CZ3-CB 3.86Å; W956-F964 AromaticContact CZ3-CD2 3.82Å; W956-F964 HydrophobicContact CZ3-CD2 3.82Å; W956-F964 AromaticContact CZ3-CG 3.98Å; W956-F964 HydrophobicContact CZ3-CG 3.98Å; S960-F964 VanDerWaalsContact O-CB 3.32Å; S960-F964 WeakPolarHBondContact O-CB 3.22Å; S960-F964 PolarHBondContact O-N 3.48Å; V961-F964 PolarHBondContact O-N 2.81Å; A962-F964 PolarHBondContact O-N 2.89Å; F964-E966 VanDerWaalsContact C-N 3.32Å; F964-E966 PolarHBondContact O-N 3.25Å; F964-K967 PolarHBondContact O-N 2.92Å; F964-T968 HydrophobicContact CD1-CG2 3.98Å; F964-T968 HydrophobicContact CD2-CG2 4.41Å; F964-T968 HydrophobicContact CE1-CG2 3.56Å; F964-T968 HydrophobicContact CE2-CG2 4.05Å; F964-T968 HydrophobicContact CG-CG2 4.39Å; F964-T968 HydrophobicContact CZ-CG2 3.61Å; F964-T968 WeakPolarHBondContact O-CB 3.33Å; F964-T968 VanDerWaalsContact O-CG2 3.32Å; F964-T968 WeakPolarHBondContact O-CG2 3.21Å; F964-T968 PolarHBondContact O-N 3.48Å; F964-T968 PolarHBondContact O-OG1 2.93Å; F964-I997 HydrophobicContact CZ-CD1 4.12Å; F964-V1101 HydrophobicContact CD2-CG1 3.87Å; F964-V1101 HydrophobicContact CE2-CG1 3.65Å; F964-W1102 HydrophobicContact CD2-CZ2 4.37Å; F964-W1102 AromaticContact CE2-CZ2 3.96Å; F964-W1102 HydrophobicContact CE2-CZ2 3.96Å
965	T	96.9	Very high	97.6	Very high	76 Å²	76	45.6 Å²	45.6	47%	0.466	25%	0.25	S	C	.	.	H	α-helix	trans	-63.8	-41.3	178.7	-55.3	0	0	0	0	110.7	V961 A962 A963 T968 Q969	V961-T965 WeakPolarHBondContact O-CB 3.35Å; V961-T965 PolarHBondContact O-N 3.27Å; V961-T965 PolarHBondContact O-OG1 3.47Å; A962-T965 WeakPolarHBondContact O-CB 3.42Å; A962-T965 PolarHBondContact O-N 3.48Å; A962-T965 VanDerWaalsContact O-N 3.11Å; A963-T965 VanDerWaalsContact C-N 3.31Å; A963-T965 PolarHBondContact O-N 2.78Å; T965-T968 WeakPolarHBondContact CA-OG1 3.46Å; T965-T968 PolarHBondContact O-OG1 3.03Å; T965-T968 VanDerWaalsContact O-OG1 3.12Å; T965-Q969 PolarHBondContact O-N 3.36Å
966	E	96.7	Very high	97.7	Very high	148 Å²	148	47.8 Å²	47.8	69%	0.692	26%	0.262	S	S	*	.	H	α-helix	trans	-62.5	-49.5	174	-175	-176.8	174.9	0	0	112	A962 A963 F964 T968 Q969	A962-E966 PolarHBondContact O-N 3.13Å; A963-E966 PolarHBondContact O-N 3.13Å; F964-E966 VanDerWaalsContact C-N 3.32Å; F964-E966 PolarHBondContact O-N 3.25Å; E966-T968 VanDerWaalsContact C-N 3.33Å; E966-T968 PolarHBondContact O-N 3.32Å; E966-Q969 WeakPolarHBondContact O-CB 3.34Å; E966-Q969 PolarHBondContact O-N 3.16Å
967	K	97.1	Very high	97.8	Very high	60 Å²	60	53.1 Å²	53.1	26%	0.261	29%	0.292	S	S	.	.	H	α-helix	trans	-62.6	-39.4	-180	-61.8	-115.8	177.2	-173.3	0	112.2	D808 W809 A963 F964 C970 R1100 V1101	D808-K967 IonicContact OD1-NZ 3.61Å; D808-K967 PolarHBondContact OD1-NZ 3.04Å; W809-K967 VanDerWaalsContact CB-CE 3.48Å; W809-K967 HydrophobicContact CD2-CD 4.48Å; W809-K967 HydrophobicContact CG-CD 4.04Å; W809-K967 HydrophobicContact CG-CG 4.42Å; A963-K967 WeakPolarHBondContact O-CG 3.23Å; A963-K967 PolarHBondContact O-N 3.4Å; F964-K967 PolarHBondContact O-N 2.92Å; K967-C970 WeakPolarHBondContact O-CB 3.48Å; K967-C970 PolarHBondContact O-N 2.91Å; K967-R1100 WeakPolarHBondContact CD-O 3.28Å; K967-V1101 HydrophobicContact CB-CG2 4.05Å
968	T	97.9	Very high	97.8	Very high	9 Å²	9	53.3 Å²	53.3	6%	0.055	29%	0.288	C	S	.	.	H	α-helix	trans	-73.4	-25.9	178.4	52.1	0	0	0	0	113.1	F964 T965 E966 C970 M971 I972 I997 V1101	F964-T968 HydrophobicContact CD1-CG2 3.98Å; F964-T968 HydrophobicContact CD2-CG2 4.41Å; F964-T968 HydrophobicContact CE1-CG2 3.56Å; F964-T968 HydrophobicContact CE2-CG2 4.05Å; F964-T968 HydrophobicContact CG-CG2 4.39Å; F964-T968 HydrophobicContact CZ-CG2 3.61Å; F964-T968 WeakPolarHBondContact O-CB 3.33Å; F964-T968 VanDerWaalsContact O-CG2 3.32Å; F964-T968 WeakPolarHBondContact O-CG2 3.21Å; F964-T968 PolarHBondContact O-N 3.48Å; F964-T968 PolarHBondContact O-OG1 2.93Å; T965-T968 WeakPolarHBondContact CA-OG1 3.46Å; T965-T968 PolarHBondContact O-OG1 3.03Å; T965-T968 VanDerWaalsContact O-OG1 3.12Å; E966-T968 VanDerWaalsContact C-N 3.33Å; E966-T968 PolarHBondContact O-N 3.32Å; T968-C970 VanDerWaalsContact C-N 3.28Å; T968-C970 PolarHBondContact O-N 3.36Å; T968-M971 PolarHBondContact O-N 2.89Å; T968-M971 VanDerWaalsContact O-N 3.15Å; T968-I972 WeakPolarHBondContact O-CG1 3.04Å; T968-I972 PolarHBondContact O-N 2.89Å; T968-I997 HydrophobicContact CG2-CD1 3.56Å; T968-I997 HydrophobicContact CG2-CG1 4.21Å; T968-V1101 HydrophobicContact CG2-CG2 3.9Å
969	Q	98.3	Very high	97.9	Very high	84 Å²	84	50.6 Å²	50.6	39%	0.393	27%	0.272	S	S	.	.	H	α-helix	trans	-60.4	-38.7	172.9	-171.3	59.2	50.8	0	0	111.6	T965 E966 M971 I972 D973	T965-Q969 PolarHBondContact O-N 3.36Å; E966-Q969 WeakPolarHBondContact O-CB 3.34Å; E966-Q969 PolarHBondContact O-N 3.16Å; Q969-M971 VanDerWaalsContact C-N 3.3Å; Q969-M971 PolarHBondContact O-N 3.06Å; Q969-I972 WeakPolarHBondContact O-CB 3.36Å; Q969-I972 PolarHBondContact O-N 3.34Å; Q969-I972 VanDerWaalsContact O-N 3.11Å; Q969-D973 PolarHBondContact NE2-OD1 2.85Å; Q969-D973 PolarHBondContact NE2-OD2 3.48Å; Q969-D973 VanDerWaalsContact O-CG 3.28Å; Q969-D973 PolarHBondContact O-N 3.12Å
970	C	98.2	Very high	97.9	Very high	46 Å²	46	46.3 Å²	46.3	31%	0.311	24%	0.244	S	C	.	.	H	α-helix	trans	-53	-47.2	172.8	-174.7	0	0	0	0	112	K967 T968 D973 Q974 C1099	K967-C970 WeakPolarHBondContact O-CB 3.48Å; K967-C970 PolarHBondContact O-N 2.91Å; T968-C970 VanDerWaalsContact C-N 3.28Å; T968-C970 PolarHBondContact O-N 3.36Å; C970-D973 PolarHBondContact O-N 2.91Å; C970-Q974 WeakPolarHBondContact O-CB 3.27Å; C970-Q974 PolarHBondContact O-N 3.44Å; C970-C1099 HydrophobicContact CB-CB 3.83Å; C970-C1099 WeakPolarHBondContact CB-SG 3.47Å; C970-C1099 PolarHBondContact O-SG 3.48Å; C970-C1099 WeakPolarHBondContact SG-CA 3.49Å; C970-C1099 WeakPolarHBondContact SG-CB 3.28Å; C970-C1099 CovalentContact SG-SG 2.05Å; C970-C1099 PolarHBondContact SG-SG 3.31Å
971	M	98.3	Very high	97.8	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-69.1	-35.6	179.3	-68.5	-176.8	173.9	0	0	112.1	T968 Q969 D973 Y975 L993 I997 N1000 C1099 V1101	T968-M971 PolarHBondContact O-N 2.89Å; T968-M971 VanDerWaalsContact O-N 3.15Å; Q969-M971 VanDerWaalsContact C-N 3.3Å; Q969-M971 PolarHBondContact O-N 3.06Å; M971-D973 VanDerWaalsContact C-N 3.33Å; M971-Y975 WeakPolarHBondContact O-CB 3.32Å; M971-Y975 WeakPolarHBondContact O-CD2 3.3Å; M971-Y975 PolarHBondContact O-N 3.41Å; M971-L993 HydrophobicContact CB-CD1 4.06Å; M971-I997 HydrophobicContact SD-CB 4.47Å; M971-I997 HydrophobicContact SD-CG1 3.75Å; M971-N1000 HydrophobicContact CE-CB 3.65Å; M971-C1099 HydrophobicContact CE-CB 4.36Å; M971-C1099 HydrophobicContact CG-CB 3.64Å; M971-V1101 HydrophobicContact CE-CB 4.37Å; M971-V1101 HydrophobicContact CE-CG2 3.8Å; M971-V1101 HydrophobicContact SD-CG2 3.94Å
972	I	98.5	Very high	97.6	Very high	20 Å²	20	57.4 Å²	57.4	10%	0.103	30%	0.295	C	S	.	.	H	α-helix	trans	-59.6	-49	173.6	-66.1	173.7	0	0	0	109.7	T968 Q969 Y975 N976 K990 L993	T968-I972 WeakPolarHBondContact O-CG1 3.04Å; T968-I972 PolarHBondContact O-N 2.89Å; Q969-I972 WeakPolarHBondContact O-CB 3.36Å; Q969-I972 PolarHBondContact O-N 3.34Å; Q969-I972 VanDerWaalsContact O-N 3.11Å; I972-Y975 PolarHBondContact O-N 3.39Å; I972-N976 WeakPolarHBondContact CG2-ND2 3.36Å; I972-N976 WeakPolarHBondContact O-CB 3.34Å; I972-N976 PolarHBondContact O-N 3.37Å; I972-N976 PolarHBondContact O-ND2 2.92Å; I972-N976 VanDerWaalsContact O-ND2 3.11Å; I972-K990 HydrophobicContact CG2-CB 4.35Å; I972-L993 HydrophobicContact CD1-CD2 3.94Å; I972-L993 HydrophobicContact CG1-CD1 3.86Å; I972-L993 HydrophobicContact CG1-CD2 4Å; I972-L993 HydrophobicContact CG1-CG 4.38Å
973	D	98.4	Very high	97.5	Very high	78 Å²	78	54.7 Å²	54.7	42%	0.417	27%	0.272	S	S	.	.	H	α-helix	trans	-66.3	-49	-176.7	-62.7	-22.8	0	0	0	110.8	Q969 C970 M971 Y975 N976 D977	Q969-D973 PolarHBondContact NE2-OD1 2.85Å; Q969-D973 PolarHBondContact NE2-OD2 3.48Å; Q969-D973 VanDerWaalsContact O-CG 3.28Å; Q969-D973 PolarHBondContact O-N 3.12Å; C970-D973 PolarHBondContact O-N 2.91Å; M971-D973 VanDerWaalsContact C-N 3.33Å; D973-Y975 VanDerWaalsContact C-N 3.32Å; D973-Y975 PolarHBondContact O-N 3.18Å; D973-N976 PolarHBondContact O-N 2.95Å; D973-N976 VanDerWaalsContact O-N 3.17Å; D973-D977 PolarHBondContact O-N 2.74Å
974	Q	98.2	Very high	97.4	Very high	3 Å²	3	55.4 Å²	55.4	1%	0.014	28%	0.282	C	S	.	.	H	α-helix	trans	-51.6	-49.7	175.3	176.4	-173.1	10.3	0	0	111.9	C970 D977 Y978 G1072 N1076 C1099	C970-Q974 WeakPolarHBondContact O-CB 3.27Å; C970-Q974 PolarHBondContact O-N 3.44Å; Q974-D977 PolarHBondContact O-N 2.85Å; Q974-Y978 HydrophobicContact CG-CE2 4.03Å; Q974-Y978 PolarHBondContact NE2-OH 2.82Å; Q974-G1072 PolarHBondContact NE2-O 3.28Å; Q974-N1076 PolarHBondContact NE2-ND2 3.29Å; Q974-N1076 PolarHBondContact NE2-OD1 2.92Å; Q974-N1076 PolarHBondContact OE1-ND2 2.85Å; Q974-N1076 PolarHBondContact OE1-OD1 3.41Å; Q974-C1099 PolarHBondContact OE1-SG 3.08Å
975	Y	98.4	Very high	97.3	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-77.8	-24	-175.4	-79.5	-103.3	0	0	0	112.7	M971 I972 D973 D977 Y978 V987 N996 N1000 S1064 Y1068 G1072	M971-Y975 WeakPolarHBondContact O-CB 3.32Å; M971-Y975 WeakPolarHBondContact O-CD2 3.3Å; M971-Y975 PolarHBondContact O-N 3.41Å; I972-Y975 PolarHBondContact O-N 3.39Å; D973-Y975 VanDerWaalsContact C-N 3.32Å; D973-Y975 PolarHBondContact O-N 3.18Å; Y975-D977 PolarHBondContact O-N 2.98Å; Y975-Y978 AromaticContact CD1-CD2 3.9Å; Y975-Y978 HydrophobicContact CD1-CD2 3.9Å; Y975-Y978 HydrophobicContact CD1-CE2 4.01Å; Y975-Y978 HydrophobicContact CD2-CE2 4.36Å; Y975-Y978 HydrophobicContact CE1-CD2 4.48Å; Y975-Y978 HydrophobicContact CE1-CE2 4.26Å; Y975-Y978 HydrophobicContact CG-CD2 4.11Å; Y975-Y978 HydrophobicContact CG-CE2 4.09Å; Y975-Y978 PolarHBondContact O-N 2.85Å; Y975-V987 HydrophobicContact CD1-CG1 4.39Å; Y975-V987 VanDerWaalsContact O-CB 3.26Å; Y975-V987 WeakPolarHBondContact O-CB 3.23Å; Y975-N996 WeakPolarHBondContact CD1-ND2 3.42Å; Y975-N996 HydrophobicContact CD2-CB 4.27Å; Y975-N996 HydrophobicContact CE1-CB 4.22Å; Y975-N996 VanDerWaalsContact CE1-CG 3.45Å; Y975-N996 WeakPolarHBondContact CE1-OD1 3.37Å; Y975-N996 HydrophobicContact CE2-CB 3.83Å; Y975-N996 VanDerWaalsContact CG-ND2 3.27Å; Y975-N1000 PolarHBondContact OH-ND2 2.88Å; Y975-S1064 VanDerWaalsContact CD1-OG 3.3Å; Y975-S1064 WeakPolarHBondContact CD1-OG 3.37Å; Y975-Y1068 WeakPolarHBondContact CE1-O 3.26Å; Y975-G1072 WeakPolarHBondContact OH-CA 2.91Å
976	N	98.4	Very high	97.4	Very high	60 Å²	60	58 Å²	58	32%	0.321	29%	0.293	S	S	.	.	H	α-helix	trans	-64.8	-30.2	171.7	-73.5	-28.1	0	0	0	112.4	I972 D973 Y978 N986 V987 G989	I972-N976 WeakPolarHBondContact CG2-ND2 3.36Å; I972-N976 WeakPolarHBondContact O-CB 3.34Å; I972-N976 PolarHBondContact O-N 3.37Å; I972-N976 PolarHBondContact O-ND2 2.92Å; I972-N976 VanDerWaalsContact O-ND2 3.11Å; D973-N976 PolarHBondContact O-N 2.95Å; D973-N976 VanDerWaalsContact O-N 3.17Å; N976-Y978 VanDerWaalsContact C-N 3.25Å; N976-Y978 PolarHBondContact O-N 3.27Å; N976-N986 PolarHBondContact O-ND2 3.43Å; N976-V987 WeakPolarHBondContact CA-O 3.47Å; N976-G989 WeakPolarHBondContact OD1-CA 3.46Å; N976-G989 PolarHBondContact OD1-N 3.41Å
977	D	97.6	Very high	97.4	Very high	124 Å²	124	51.1 Å²	51.1	66%	0.663	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-15	-178.6	-68.2	-19	0	0	0	113.2	D973 Q974 Y975 Y979	D973-D977 PolarHBondContact O-N 2.74Å; Q974-D977 PolarHBondContact O-N 2.85Å; Y975-D977 PolarHBondContact O-N 2.98Å; D977-Y979 PolarHBondContact O-N 3.18Å
978	Y	98.1	Very high	97.4	Very high	33 Å²	33	51.8 Å²	51.8	13%	0.129	26%	0.261	C	S	.	.			trans	-77.7	115.2	178.1	-65.5	-40.1	0	0	0	112.2	Q974 Y975 N976 N986 V987 Y1068 I1071	Q974-Y978 HydrophobicContact CG-CE2 4.03Å; Q974-Y978 PolarHBondContact NE2-OH 2.82Å; Y975-Y978 AromaticContact CD1-CD2 3.9Å; Y975-Y978 HydrophobicContact CD1-CD2 3.9Å; Y975-Y978 HydrophobicContact CD1-CE2 4.01Å; Y975-Y978 HydrophobicContact CD2-CE2 4.36Å; Y975-Y978 HydrophobicContact CE1-CD2 4.48Å; Y975-Y978 HydrophobicContact CE1-CE2 4.26Å; Y975-Y978 HydrophobicContact CG-CD2 4.11Å; Y975-Y978 HydrophobicContact CG-CE2 4.09Å; Y975-Y978 PolarHBondContact O-N 2.85Å; N976-Y978 VanDerWaalsContact C-N 3.25Å; N976-Y978 PolarHBondContact O-N 3.27Å; Y978-N986 CarbonylContact O-C 3.56Å; Y978-N986 VanDerWaalsContact O-CA 3.28Å; Y978-N986 WeakPolarHBondContact O-CA 3.14Å; Y978-V987 PolarHBondContact O-N 2.82Å; Y978-Y1068 AromaticContact CD1-CD1 3.63Å; Y978-Y1068 HydrophobicContact CD1-CD1 3.63Å; Y978-Y1068 AromaticContact CD1-CE1 3.76Å; Y978-Y1068 HydrophobicContact CD1-CE1 3.76Å; Y978-Y1068 AromaticContact CD2-CD1 3.66Å; Y978-Y1068 HydrophobicContact CD2-CD1 3.66Å; Y978-Y1068 HydrophobicContact CD2-CE1 4.49Å; Y978-Y1068 AromaticContact CD2-CG 3.89Å; Y978-Y1068 HydrophobicContact CD2-CG 3.89Å; Y978-Y1068 HydrophobicContact CE1-CD1 4.24Å; Y978-Y1068 HydrophobicContact CE2-CD1 4.28Å; Y978-Y1068 AromaticContact CG-CD1 3.32Å; Y978-Y1068 HydrophobicContact CG-CD1 3.32Å; Y978-Y1068 AromaticContact CG-CE1 3.72Å; Y978-Y1068 HydrophobicContact CG-CE1 3.72Å; Y978-Y1068 AromaticContact CG-CG 3.85Å; Y978-Y1068 HydrophobicContact CG-CG 3.85Å; Y978-I1071 HydrophobicContact CE1-CG2 4.37Å
979	Y	97.9	Very high	97.3	Very high	114 Å²	114	51.3 Å²	51.3	45%	0.447	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	115.6	174.7	-179	-100	0	0	0	111.9	D977 E981 G984 N986 Y1068	D977-Y979 PolarHBondContact O-N 3.18Å; Y979-E981 HydrophobicContact CD1-CG 4.18Å; Y979-E981 HydrophobicContact CE1-CG 4.17Å; Y979-G984 VanDerWaalsContact OH-CA 3.3Å; Y979-G984 WeakPolarHBondContact OH-CA 3.31Å; Y979-G984 PolarHBondContact OH-O 2.96Å; Y979-N986 WeakPolarHBondContact CD2-OD1 3.44Å; Y979-Y1068 PolarHBondContact O-OH 3.41Å
980	W	97.1	Very high	97.2	Very high	9 Å²	9	52.8 Å²	52.8	3%	0.034	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	107	179.2	-162.5	13.4	0	0	0	111	E982 A983 G984 L985 Y1049 A1054 Q1057 I1058 P1065 Y1068	W980-E982 VanDerWaalsContact C-N 3.33Å; W980-E982 PolarHBondContact NE1-OE2 3.08Å; W980-E982 PolarHBondContact O-N 2.82Å; W980-A983 HydrophobicContact CB-CB 4.26Å; W980-A983 HydrophobicContact CD2-CB 4.3Å; W980-A983 HydrophobicContact CE3-CB 3.92Å; W980-A983 HydrophobicContact CG-CB 4.46Å; W980-A983 PolarHBondContact O-N 2.89Å; W980-A983 VanDerWaalsContact O-N 3.14Å; W980-G984 PolarHBondContact O-N 2.85Å; W980-L985 PolarHBondContact N-O 2.84Å; W980-L985 PolarHBondContact O-N 2.96Å; W980-Y1049 HydrophobicContact CH2-CD1 4.26Å; W980-Y1049 AromaticContact CH2-CD2 3.58Å; W980-Y1049 HydrophobicContact CH2-CD2 3.58Å; W980-Y1049 HydrophobicContact CH2-CE2 4.05Å; W980-Y1049 AromaticContact CH2-CG 3.7Å; W980-Y1049 HydrophobicContact CH2-CG 3.7Å; W980-Y1049 AromaticContact CZ2-CD2 3.79Å; W980-Y1049 HydrophobicContact CZ2-CD2 3.79Å; W980-Y1049 HydrophobicContact CZ2-CE2 4.48Å; W980-Y1049 HydrophobicContact CZ2-CG 4.14Å; W980-A1054 HydrophobicContact CE3-CB 4.11Å; W980-A1054 HydrophobicContact CH2-CB 3.78Å; W980-A1054 HydrophobicContact CZ2-CB 4.17Å; W980-A1054 HydrophobicContact CZ3-CB 3.74Å; W980-Q1057 HydrophobicContact CZ3-CB 4.16Å; W980-Q1057 HydrophobicContact CZ3-CG 4.17Å; W980-I1058 HydrophobicContact CE3-CD1 3.89Å; W980-I1058 HydrophobicContact CE3-CG1 3.87Å; W980-I1058 HydrophobicContact CZ3-CG1 4.44Å; W980-P1065 HydrophobicContact CD2-CB 3.66Å; W980-P1065 HydrophobicContact CD2-CG 3.71Å; W980-P1065 HydrophobicContact CE3-CB 3.54Å; W980-P1065 HydrophobicContact CE3-CG 3.24Å; W980-P1065 HydrophobicContact CG-CB 4.37Å; W980-P1065 HydrophobicContact CG-CG 4.3Å; W980-P1065 HydrophobicContact CH2-CB 3.87Å; W980-P1065 HydrophobicContact CH2-CG 4.35Å; W980-P1065 HydrophobicContact CZ2-CB 4.01Å; W980-P1065 HydrophobicContact CZ3-CB 3.63Å; W980-P1065 HydrophobicContact CZ3-CG 3.6Å; W980-Y1068 HydrophobicContact CB-CE2 3.82Å; W980-Y1068 HydrophobicContact CG-CE2 4.02Å
981	E	95.8	Very high	97	Very high	158 Å²	158	52 Å²	52	74%	0.738	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-43.3	-174.2	-65.4	-174.7	176.7	0	0	112.9	Y979 A983 G984	Y979-E981 HydrophobicContact CD1-CG 4.18Å; Y979-E981 HydrophobicContact CE1-CG 4.17Å; E981-A983 VanDerWaalsContact C-N 3.26Å; E981-A983 PolarHBondContact O-N 2.9Å; E981-G984 PolarHBondContact O-N 2.87Å; E981-G984 VanDerWaalsContact O-N 3.08Å
982	E	95.1	Very high	97	Very high	98 Å²	98	52.2 Å²	52.2	46%	0.458	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-33.6	-179.5	-66.5	87.8	154.8	0	0	112.5	W980 P1051 A1054	W980-E982 VanDerWaalsContact C-N 3.33Å; W980-E982 PolarHBondContact NE1-OE2 3.08Å; W980-E982 PolarHBondContact O-N 2.82Å; E982-P1051 VanDerWaalsContact O-CA 3.28Å; E982-P1051 WeakPolarHBondContact O-CA 3.45Å; E982-P1051 WeakPolarHBondContact O-CB 3.08Å; E982-A1054 HydrophobicContact CB-CB 4.1Å
983	A	95.4	Very high	97	Very high	4 Å²	4	51.8 Å²	51.8	3%	0.033	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-24	176.1	0	0	0	0	0	112.8	W980 E981 L985 A1054 I1058	W980-A983 HydrophobicContact CB-CB 4.26Å; W980-A983 HydrophobicContact CD2-CB 4.3Å; W980-A983 HydrophobicContact CE3-CB 3.92Å; W980-A983 HydrophobicContact CG-CB 4.46Å; W980-A983 PolarHBondContact O-N 2.89Å; W980-A983 VanDerWaalsContact O-N 3.14Å; E981-A983 VanDerWaalsContact C-N 3.26Å; E981-A983 PolarHBondContact O-N 2.9Å; A983-L985 VanDerWaalsContact C-N 3.27Å; A983-L985 HydrophobicContact CB-CB 4.38Å; A983-A1054 HydrophobicContact CB-CB 3.88Å; A983-I1058 HydrophobicContact CB-CG1 3.85Å
984	G	95.7	Very high	96.9	Very high	35 Å²	35	49 Å²	49	36%	0.361	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	67	24.6	-168.8	0	0	0	0	0	113.6	Y979 W980 E981	Y979-G984 VanDerWaalsContact OH-CA 3.3Å; Y979-G984 WeakPolarHBondContact OH-CA 3.31Å; Y979-G984 PolarHBondContact OH-O 2.96Å; W980-G984 PolarHBondContact O-N 2.85Å; E981-G984 PolarHBondContact O-N 2.87Å; E981-G984 VanDerWaalsContact O-N 3.08Å
985	L	96.1	Very high	96.9	Very high	57 Å²	57	50 Å²	50	30%	0.298	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	151.8	-172.4	-65.8	177.6	0	0	0	112.2	W980 A983 R1055 I1058 Q1059	W980-L985 PolarHBondContact N-O 2.84Å; W980-L985 PolarHBondContact O-N 2.96Å; A983-L985 VanDerWaalsContact C-N 3.27Å; A983-L985 HydrophobicContact CB-CB 4.38Å; L985-R1055 HydrophobicContact CD1-CG 3.75Å; L985-I1058 HydrophobicContact CB-CG1 4.5Å; L985-I1058 HydrophobicContact CB-CG2 3.95Å; L985-I1058 HydrophobicContact CD1-CB 4.33Å; L985-I1058 HydrophobicContact CD1-CG2 3.98Å; L985-Q1059 HydrophobicContact CD1-CG 4.3Å
986	N	97.6	Very high	96.9	Very high	78 Å²	78	50 Å²	50	42%	0.417	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	147.3	167.6	-70	74	0	0	0	112	N976 Y978 Y979 I1058	N976-N986 PolarHBondContact O-ND2 3.43Å; Y978-N986 CarbonylContact O-C 3.56Å; Y978-N986 VanDerWaalsContact O-CA 3.28Å; Y978-N986 WeakPolarHBondContact O-CA 3.14Å; Y979-N986 WeakPolarHBondContact CD2-OD1 3.44Å; N986-I1058 VanDerWaalsContact O-CG2 3.31Å; N986-I1058 WeakPolarHBondContact O-CG2 3.28Å
987	V	97.9	Very high	96.9	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.018	23%	0.231	C	C	.	.			trans	-62.7	143.4	168.7	174.4	0	0	0	0	109.8	Y975 N976 Y978 G989 T992 I1058 P1065 Y1068	Y975-V987 HydrophobicContact CD1-CG1 4.39Å; Y975-V987 VanDerWaalsContact O-CB 3.26Å; Y975-V987 WeakPolarHBondContact O-CB 3.23Å; N976-V987 WeakPolarHBondContact CA-O 3.47Å; Y978-V987 PolarHBondContact O-N 2.82Å; V987-G989 PolarHBondContact O-N 3.49Å; V987-T992 HydrophobicContact CG1-CG2 4.37Å; V987-I1058 HydrophobicContact CB-CD1 4.43Å; V987-I1058 HydrophobicContact CG2-CD1 3.84Å; V987-P1065 VanDerWaalsContact CG2-CD 3.49Å; V987-P1065 HydrophobicContact CG2-CG 3.8Å; V987-Y1068 HydrophobicContact CG2-CD2 3.69Å; V987-Y1068 HydrophobicContact CG2-CE2 4.22Å; V987-Y1068 HydrophobicContact CG2-CG 4.38Å
988	R	96.3	Very high	97	Very high	73 Å²	73	41.3 Å²	41.3	28%	0.275	20%	0.199	S	C	.	.			trans	-95.8	85.1	179.8	-65.9	-176.1	175.1	-161.6	1.4	109.8	E587 E643 K990 R991 T992 I1058	E587-R988 IonicContact OE1-CZ 3.07Å; E587-R988 IonicContact OE1-NH1 2.64Å; E587-R988 PolarHBondContact OE1-NH1 2.97Å; E587-R988 IonicContact OE1-NH2 3.29Å; E587-R988 PolarHBondContact OE1-NH2 3.48Å; E643-R988 IonicContact OE1-NH1 3.05Å; R988-K990 VanDerWaalsContact C-N 3.27Å; R988-K990 PolarHBondContact O-N 3.38Å; R988-K990 VanDerWaalsContact O-N 3.14Å; R988-R991 HydrophobicContact CB-CB 3.76Å; R988-R991 WeakPolarHBondContact O-CA 3.44Å; R988-R991 VanDerWaalsContact O-CB 3.3Å; R988-R991 WeakPolarHBondContact O-CB 3.24Å; R988-R991 PolarHBondContact O-N 3.37Å; R988-T992 PolarHBondContact O-N 2.88Å; R988-T992 PolarHBondContact O-OG1 3.19Å; R988-I1058 HydrophobicContact CG-CG2 4.41Å
989	G	96.7	Very high	97	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-53.5	-37.7	-173.1	0	0	0	0	0	114.3	N976 V987 R991 T992 L993	N976-G989 WeakPolarHBondContact OD1-CA 3.46Å; N976-G989 PolarHBondContact OD1-N 3.41Å; V987-G989 PolarHBondContact O-N 3.49Å; G989-R991 PolarHBondContact O-N 3.15Å; G989-T992 PolarHBondContact O-N 3.21Å; G989-L993 WeakPolarHBondContact O-CA 3.24Å; G989-L993 WeakPolarHBondContact O-CB 3.44Å; G989-L993 PolarHBondContact O-N 2.96Å
990	K	95.4	Very high	97	Very high	114 Å²	114	34.6 Å²	34.6	50%	0.496	17%	0.173	S	C	.	.	H	α-helix	trans	-66.7	-35.6	174.9	-174.4	176.8	-179.8	-176.7	0	113.1	E643 I972 R988	E643-K990 HydrophobicContact CB-CD 4.33Å; I972-K990 HydrophobicContact CG2-CB 4.35Å; R988-K990 VanDerWaalsContact C-N 3.27Å; R988-K990 PolarHBondContact O-N 3.38Å; R988-K990 VanDerWaalsContact O-N 3.14Å
991	R	94.9	Very high	97.1	Very high	30 Å²	30	34.2 Å²	34.2	11%	0.113	17%	0.173	C	C	.	.	H	α-helix	trans	-71.5	-41.7	178.7	-174.5	-178	-169.3	105.7	0.5	110.9	Y642 E643 R988 G989 L993 Q1059 S1060 G1061	Y642-R991 HydrophobicContact CD1-CG 3.91Å; Y642-R991 HydrophobicContact CE1-CG 4.25Å; E643-R991 HydrophobicContact CG-CB 4.05Å; E643-R991 IonicContact OE1-CZ 2.71Å; E643-R991 IonicContact OE1-NH1 2.64Å; E643-R991 PolarHBondContact OE1-NH1 3.26Å; R988-R991 HydrophobicContact CB-CB 3.76Å; R988-R991 WeakPolarHBondContact O-CA 3.44Å; R988-R991 VanDerWaalsContact O-CB 3.3Å; R988-R991 WeakPolarHBondContact O-CB 3.24Å; R988-R991 PolarHBondContact O-N 3.37Å; G989-R991 PolarHBondContact O-N 3.15Å; R991-L993 VanDerWaalsContact C-N 3.32Å; R991-Q1059 PolarHBondContact NH1-O 3.27Å; R991-Q1059 PolarHBondContact NH2-O 3.26Å; R991-S1060 PolarHBondContact NH2-O 2.83Å; R991-G1061 VanDerWaalsContact CD-O 3.25Å; R991-G1061 WeakPolarHBondContact CD-O 3.19Å; R991-G1061 PolarHBondContact NE-O 3.23Å
992	T	97.5	Very high	97.2	Very high	6 Å²	6	26.7 Å²	26.7	4%	0.037	14%	0.138	C	C	.	.	H	α-helix	trans	-89.8	3.8	-175.8	62.3	0	0	0	0	114.1	V987 R988 G989 A994 E995 N996 A1062 S1064	V987-T992 HydrophobicContact CG1-CG2 4.37Å; R988-T992 PolarHBondContact O-N 2.88Å; R988-T992 PolarHBondContact O-OG1 3.19Å; G989-T992 PolarHBondContact O-N 3.21Å; T992-A994 PolarHBondContact O-N 2.99Å; T992-E995 PolarHBondContact O-N 2.89Å; T992-N996 PolarHBondContact O-N 2.87Å; T992-N996 PolarHBondContact O-ND2 3.49Å; T992-N996 PolarHBondContact O-OD1 2.63Å; T992-N996 PolarHBondContact OG1-ND2 3.36Å; T992-A1062 VanDerWaalsContact CA-O 3.23Å; T992-A1062 WeakPolarHBondContact CA-O 2.94Å; T992-A1062 WeakPolarHBondContact CG2-O 3.46Å; T992-S1064 VanDerWaalsContact CB-OG 3.27Å; T992-S1064 WeakPolarHBondContact CB-OG 3.31Å; T992-S1064 PolarHBondContact OG1-OG 3.41Å
993	L	97.7	Very high	97.4	Very high	11 Å²	11	22 Å²	22	6%	0.058	12%	0.116	C	C	.	.	H	α-helix	trans	-55.4	-45.8	-170.9	-177.2	59.8	0	0	0	114	N941 M971 I972 G989 R991 E995 N996 I997	N941-L993 HydrophobicContact CB-CD2 4.12Å; M971-L993 HydrophobicContact CB-CD1 4.06Å; I972-L993 HydrophobicContact CD1-CD2 3.94Å; I972-L993 HydrophobicContact CG1-CD1 3.86Å; I972-L993 HydrophobicContact CG1-CD2 4Å; I972-L993 HydrophobicContact CG1-CG 4.38Å; G989-L993 WeakPolarHBondContact O-CA 3.24Å; G989-L993 WeakPolarHBondContact O-CB 3.44Å; G989-L993 PolarHBondContact O-N 2.96Å; R991-L993 VanDerWaalsContact C-N 3.32Å; L993-E995 VanDerWaalsContact C-N 3.34Å; L993-E995 PolarHBondContact O-N 3.45Å; L993-N996 PolarHBondContact O-N 3.22Å; L993-I997 HydrophobicContact CD1-CD1 3.91Å; L993-I997 HydrophobicContact CD1-CG1 4.05Å; L993-I997 HydrophobicContact CG-CD1 3.78Å; L993-I997 HydrophobicContact CG-CG1 4.37Å; L993-I997 VanDerWaalsContact O-CG1 3.23Å; L993-I997 WeakPolarHBondContact O-CG1 3.45Å; L993-I997 PolarHBondContact O-N 3.42Å
994	A	97.1	Very high	97.5	Very high	19 Å²	19	22.2 Å²	22.2	16%	0.157	12%	0.116	C	C	.	.	H	α-helix	trans	-58.8	-48.4	-179.1	0	0	0	0	0	111.1	D940 N941 T992 I997 A998	D940-A994 HydrophobicContact CB-CB 4.4Å; N941-A994 WeakPolarHBondContact OD1-CA 3.48Å; N941-A994 VanDerWaalsContact OD1-CB 3.3Å; N941-A994 WeakPolarHBondContact OD1-CB 3.47Å; N941-A994 PolarHBondContact OD1-N 3.3Å; T992-A994 PolarHBondContact O-N 2.99Å; A994-I997 PolarHBondContact O-N 3.2Å; A994-A998 WeakPolarHBondContact O-CB 3.37Å; A994-A998 PolarHBondContact O-N 2.88Å
995	E	98.2	Very high	97.7	Very high	24 Å²	24	20.6 Å²	20.6	11%	0.112	10%	0.099	C	C	.	.	H	α-helix	trans	-67	-38.1	179.5	-55.1	-54.8	151.1	0	0	112.2	H933 H937 T992 L993 A998 D999 A1062 H1063	H933-E995 IonicContact CE1-OE2 3.2Å; H933-E995 PolarHBondContact CE1-OE2 3.35Å; H933-E995 IonicContact NE2-OE2 2.69Å; H933-E995 PolarHBondContact NE2-OE2 3.09Å; H937-E995 IonicContact CE1-OE1 2.73Å; H937-E995 PolarHBondContact CE1-OE1 3.04Å; H937-E995 IonicContact CE1-OE2 3.87Å; H937-E995 PolarHBondContact CE1-OE2 3.41Å; H937-E995 IonicContact NE2-OE1 2.94Å; H937-E995 IonicContact NE2-OE2 2.81Å; H937-E995 PolarHBondContact NE2-OE2 2.89Å; T992-E995 PolarHBondContact O-N 2.89Å; L993-E995 VanDerWaalsContact C-N 3.34Å; L993-E995 PolarHBondContact O-N 3.45Å; E995-A998 PolarHBondContact O-N 3.41Å; E995-D999 WeakPolarHBondContact O-CB 3.37Å; E995-D999 PolarHBondContact O-N 2.84Å; E995-A1062 HydrophobicContact CG-CB 4.4Å; E995-A1062 WeakPolarHBondContact CG-O 3.07Å; E995-H1063 VanDerWaalsContact CD-CD2 3.48Å; E995-H1063 HydrophobicContact CG-CB 4.37Å; E995-H1063 IonicContact OE2-CD2 3.19Å; E995-H1063 PolarHBondContact OE2-CD2 3.01Å; E995-H1063 IonicContact OE2-CE1 2.91Å; E995-H1063 IonicContact OE2-NE2 3.87Å; E995-H1063 PolarHBondContact OE2-NE2 3.19Å
996	N	98.6	Very high	97.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-67.6	-41.7	177.4	-59.7	-22.6	0	0	0	111.2	Y975 T992 L993 A998 D999 N1000 S1064	Y975-N996 WeakPolarHBondContact CD1-ND2 3.42Å; Y975-N996 HydrophobicContact CD2-CB 4.27Å; Y975-N996 HydrophobicContact CE1-CB 4.22Å; Y975-N996 VanDerWaalsContact CE1-CG 3.45Å; Y975-N996 WeakPolarHBondContact CE1-OD1 3.37Å; Y975-N996 HydrophobicContact CE2-CB 3.83Å; Y975-N996 VanDerWaalsContact CG-ND2 3.27Å; T992-N996 PolarHBondContact O-N 2.87Å; T992-N996 PolarHBondContact O-ND2 3.49Å; T992-N996 PolarHBondContact O-OD1 2.63Å; T992-N996 PolarHBondContact OG1-ND2 3.36Å; L993-N996 PolarHBondContact O-N 3.22Å; N996-A998 VanDerWaalsContact C-N 3.31Å; N996-A998 PolarHBondContact O-N 3.38Å; N996-D999 PolarHBondContact O-N 3.39Å; N996-N1000 WeakPolarHBondContact O-CB 3.25Å; N996-N1000 PolarHBondContact O-N 3.39Å; N996-N1000 PolarHBondContact O-ND2 3.31Å; N996-S1064 WeakPolarHBondContact OD1-CB 3.39Å; N996-S1064 PolarHBondContact OD1-OG 3.1Å
997	I	98.8	Very high	97.8	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-59.8	-46.3	173.9	-68.1	163.8	0	0	0	109.3	T936 D940 N941 F964 T968 M971 L993 A994 N1000 G1001	T936-I997 HydrophobicContact CG2-CG2 3.98Å; D940-I997 HydrophobicContact CB-CB 4.43Å; D940-I997 HydrophobicContact CB-CD1 4.46Å; D940-I997 HydrophobicContact CB-CG2 4.26Å; N941-I997 HydrophobicContact CB-CD1 4.34Å; F964-I997 HydrophobicContact CZ-CD1 4.12Å; T968-I997 HydrophobicContact CG2-CD1 3.56Å; T968-I997 HydrophobicContact CG2-CG1 4.21Å; M971-I997 HydrophobicContact SD-CB 4.47Å; M971-I997 HydrophobicContact SD-CG1 3.75Å; L993-I997 HydrophobicContact CD1-CD1 3.91Å; L993-I997 HydrophobicContact CD1-CG1 4.05Å; L993-I997 HydrophobicContact CG-CD1 3.78Å; L993-I997 HydrophobicContact CG-CG1 4.37Å; L993-I997 VanDerWaalsContact O-CG1 3.23Å; L993-I997 WeakPolarHBondContact O-CG1 3.45Å; L993-I997 PolarHBondContact O-N 3.42Å; A994-I997 PolarHBondContact O-N 3.2Å; I997-N1000 PolarHBondContact O-N 3.43Å; I997-G1001 PolarHBondContact O-N 2.88Å
998	A	98.7	Very high	97.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-66.9	-39.5	-179.2	0	0	0	0	0	113.1	H933 T936 A994 E995 N996 G1002	H933-A998 VanDerWaalsContact CE1-CB 3.41Å; H933-A998 WeakPolarHBondContact CE1-CB 3.24Å; H933-A998 VanDerWaalsContact ND1-CB 3.31Å; H933-A998 WeakPolarHBondContact ND1-CB 3.36Å; T936-A998 HydrophobicContact CG2-CB 4.46Å; A994-A998 WeakPolarHBondContact O-CB 3.37Å; A994-A998 PolarHBondContact O-N 2.88Å; E995-A998 PolarHBondContact O-N 3.41Å; N996-A998 VanDerWaalsContact C-N 3.31Å; N996-A998 PolarHBondContact O-N 3.38Å; A998-G1002 PolarHBondContact O-N 3.03Å
999	D	98.7	Very high	98	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-62.6	-44.1	172.9	-83.4	-34.1	0	0	0	112.5	H933 E995 N996 I1003 R1045 R1069 A1073	H933-D999 IonicContact CE1-OD1 2.79Å; H933-D999 PolarHBondContact ND1-N 3.37Å; H933-D999 IonicContact ND1-OD1 2.68Å; H933-D999 PolarHBondContact ND1-OD1 3.48Å; E995-D999 WeakPolarHBondContact O-CB 3.37Å; E995-D999 PolarHBondContact O-N 2.84Å; N996-D999 PolarHBondContact O-N 3.39Å; D999-I1003 WeakPolarHBondContact O-CG2 3.2Å; D999-I1003 PolarHBondContact O-N 2.96Å; D999-R1045 IonicContact OD1-CZ 3.15Å; D999-R1045 IonicContact OD1-NE 3.45Å; D999-R1045 IonicContact OD1-NH2 3.35Å; D999-R1045 PolarHBondContact OD1-NH2 3.17Å; D999-R1069 VanDerWaalsContact CG-NH2 3.34Å; D999-R1069 IonicContact OD1-CZ 3.6Å; D999-R1069 IonicContact OD1-NE 2.68Å; D999-R1069 PolarHBondContact OD1-NE 2.93Å; D999-R1069 IonicContact OD1-NH2 3.67Å; D999-R1069 PolarHBondContact OD1-NH2 3.39Å; D999-R1069 WeakPolarHBondContact OD2-CG 3.44Å; D999-R1069 IonicContact OD2-CZ 3.81Å; D999-R1069 IonicContact OD2-NE 2.99Å; D999-R1069 PolarHBondContact OD2-NE 3.41Å; D999-R1069 IonicContact OD2-NH2 3.02Å; D999-R1069 PolarHBondContact OD2-NH2 2.88Å; D999-A1073 HydrophobicContact CB-CB 4.32Å
1000	N	98.7	Very high	98	Very high	6 Å²	6	13.2 Å²	13.2	3%	0.032	6%	0.061	C	C	.	.	H	α-helix	trans	-70.8	-38.8	-179	-80.7	-103.6	0	0	0	111.9	M971 Y975 N996 I997 I1003 R1004 N1076	M971-N1000 HydrophobicContact CE-CB 3.65Å; Y975-N1000 PolarHBondContact OH-ND2 2.88Å; N996-N1000 WeakPolarHBondContact O-CB 3.25Å; N996-N1000 PolarHBondContact O-N 3.39Å; N996-N1000 PolarHBondContact O-ND2 3.31Å; I997-N1000 PolarHBondContact O-N 3.43Å; N1000-I1003 WeakPolarHBondContact O-CG2 3.44Å; N1000-R1004 WeakPolarHBondContact O-CD 3.38Å; N1000-R1004 WeakPolarHBondContact O-CG 3.42Å; N1000-N1076 WeakPolarHBondContact OD1-CB 3.37Å; N1000-N1076 PolarHBondContact OD1-ND2 3.17Å
1001	G	98.4	Very high	98.2	Very high	2 Å²	2	10.4 Å²	10.4	2%	0.021	5%	0.048	C	C	.	.	H	α-helix	trans	-67.5	-53.7	173.6	0	0	0	0	0	111.2	I997 I1003 R1004 E1005	I997-G1001 PolarHBondContact O-N 2.88Å; G1001-I1003 VanDerWaalsContact C-N 3.33Å; G1001-I1003 PolarHBondContact O-N 2.89Å; G1001-R1004 WeakPolarHBondContact O-CB 3.46Å; G1001-R1004 PolarHBondContact O-N 3.45Å; G1001-E1005 VanDerWaalsContact O-CG 3.31Å; G1001-E1005 WeakPolarHBondContact O-CG 3.34Å; G1001-E1005 PolarHBondContact O-N 3.24Å
1002	G	98.4	Very high	98.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-58.3	-39	-174.8	0	0	0	0	0	114.3	G932 T936 A998 A1006	G932-G1002 VanDerWaalsContact C-CA 3.48Å; T936-G1002 PolarHBondContact OG1-N 3.2Å; A998-G1002 PolarHBondContact O-N 3.03Å; G1002-A1006 WeakPolarHBondContact O-CB 3.47Å; G1002-A1006 PolarHBondContact O-N 2.76Å
1003	I	98.4	Very high	98.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-66.8	-37.4	177.8	-163.7	173.6	0	0	0	112.3	V929 D999 N1000 G1001 F1007 F1037 F1038 Y1041 A1073 M1074 Y1077	V929-I1003 HydrophobicContact CG1-CB 4.16Å; V929-I1003 HydrophobicContact CG2-CG1 4.34Å; D999-I1003 WeakPolarHBondContact O-CG2 3.2Å; D999-I1003 PolarHBondContact O-N 2.96Å; N1000-I1003 WeakPolarHBondContact O-CG2 3.44Å; G1001-I1003 VanDerWaalsContact C-N 3.33Å; G1001-I1003 PolarHBondContact O-N 2.89Å; I1003-F1007 WeakPolarHBondContact O-CB 3.36Å; I1003-F1007 PolarHBondContact O-N 3.42Å; I1003-F1037 HydrophobicContact CG1-CE1 3.94Å; I1003-F1037 HydrophobicContact CG1-CZ 4.36Å; I1003-F1038 HydrophobicContact CD1-CD1 4.07Å; I1003-F1038 HydrophobicContact CD1-CE1 4.12Å; I1003-F1038 HydrophobicContact CG1-CE1 4.43Å; I1003-Y1041 HydrophobicContact CB-CE2 4.43Å; I1003-Y1041 HydrophobicContact CD1-CD1 3.83Å; I1003-Y1041 HydrophobicContact CD1-CD2 4.2Å; I1003-Y1041 HydrophobicContact CD1-CE1 3.93Å; I1003-Y1041 HydrophobicContact CD1-CE2 4.33Å; I1003-Y1041 HydrophobicContact CD1-CG 3.93Å; I1003-Y1041 HydrophobicContact CG1-CD2 4.4Å; I1003-A1073 HydrophobicContact CG2-CB 4.4Å; I1003-M1074 HydrophobicContact CD1-CE 4.32Å; I1003-M1074 HydrophobicContact CD1-CG 3.98Å; I1003-Y1077 HydrophobicContact CG1-CD1 4.47Å; I1003-Y1077 HydrophobicContact CG2-CD1 4.31Å
1004	R	98.3	Very high	98.2	Very high	8 Å²	8	13 Å²	13	3%	0.03	6%	0.056	C	C	.	.	H	α-helix	trans	-70.7	-46.8	177.7	-69.7	173.3	168.3	-84.1	-1.8	111.2	M802 N1000 G1001 A1006 F1007 R1008 N1076 Y1077 E1078	M802-R1004 HydrophobicContact CE-CB 4.45Å; M802-R1004 HydrophobicContact SD-CB 4.02Å; N1000-R1004 WeakPolarHBondContact O-CD 3.38Å; N1000-R1004 WeakPolarHBondContact O-CG 3.42Å; G1001-R1004 WeakPolarHBondContact O-CB 3.46Å; G1001-R1004 PolarHBondContact O-N 3.45Å; R1004-A1006 VanDerWaalsContact C-N 3.35Å; R1004-A1006 PolarHBondContact O-N 2.72Å; R1004-F1007 PolarHBondContact O-N 3.3Å; R1004-R1008 WeakPolarHBondContact O-CB 3.34Å; R1004-R1008 PolarHBondContact O-N 3.46Å; R1004-N1076 PolarHBondContact NH2-O 3.43Å; R1004-Y1077 HydrophobicContact CG-CD1 4.39Å; R1004-Y1077 HydrophobicContact CG-CD2 3.93Å; R1004-Y1077 HydrophobicContact CG-CE1 4.28Å; R1004-Y1077 HydrophobicContact CG-CE2 3.82Å; R1004-Y1077 HydrophobicContact CG-CG 4.23Å; R1004-E1078 IonicContact CZ-OE1 3.08Å; R1004-E1078 IonicContact CZ-OE2 3.33Å; R1004-E1078 IonicContact NH1-OE1 3.87Å; R1004-E1078 PolarHBondContact NH1-OE1 3.37Å; R1004-E1078 IonicContact NH1-OE2 2.65Å; R1004-E1078 PolarHBondContact NH1-OE2 3.25Å; R1004-E1078 VanDerWaalsContact NH1-OE2 3.1Å; R1004-E1078 IonicContact NH2-OE1 3.75Å; R1004-E1078 IonicContact NH2-OE2 3.82Å; R1004-E1078 PolarHBondContact NH2-OE2 3.19Å
1005	E	98.6	Very high	98.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-57.4	-49	176.7	-65.9	170	-157	0	0	110.8	I795 A798 F799 M802 G932 T936 G1001 R1008 A1009	I795-E1005 HydrophobicContact CG2-CB 4.01Å; I795-E1005 WeakPolarHBondContact CG2-OE2 3.38Å; A798-E1005 HydrophobicContact CB-CB 4.45Å; A798-E1005 WeakPolarHBondContact CB-O 3.08Å; F799-E1005 HydrophobicContact CB-CG 4.18Å; F799-E1005 HydrophobicContact CD2-CG 4.41Å; F799-E1005 VanDerWaalsContact CD2-OE1 3.26Å; F799-E1005 WeakPolarHBondContact CD2-OE1 3.42Å; M802-E1005 HydrophobicContact CE-CB 4.23Å; M802-E1005 HydrophobicContact CE-CG 3.34Å; G932-E1005 WeakPolarHBondContact CA-OE2 3.36Å; T936-E1005 PolarHBondContact OG1-OE1 3.06Å; G1001-E1005 VanDerWaalsContact O-CG 3.31Å; G1001-E1005 WeakPolarHBondContact O-CG 3.34Å; G1001-E1005 PolarHBondContact O-N 3.24Å; E1005-R1008 PolarHBondContact O-N 3.04Å; E1005-A1009 VanDerWaalsContact O-CB 3.31Å; E1005-A1009 WeakPolarHBondContact O-CB 3.47Å; E1005-A1009 PolarHBondContact O-N 3.2Å
1006	A	98.7	Very high	98.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-68.7	-40.3	-177.6	0	0	0	0	0	113.3	Y924 V929 G1002 R1004 A1009 Y1010 F1037	Y924-A1006 WeakPolarHBondContact CD1-O 3.21Å; V929-A1006 HydrophobicContact CB-CB 4.35Å; V929-A1006 HydrophobicContact CG2-CB 3.74Å; G1002-A1006 WeakPolarHBondContact O-CB 3.47Å; G1002-A1006 PolarHBondContact O-N 2.76Å; R1004-A1006 VanDerWaalsContact C-N 3.35Å; R1004-A1006 PolarHBondContact O-N 2.72Å; A1006-A1009 PolarHBondContact O-N 3.44Å; A1006-Y1010 WeakPolarHBondContact O-CB 3.48Å; A1006-Y1010 PolarHBondContact O-N 3.4Å; A1006-F1037 HydrophobicContact CB-CE2 4.04Å; A1006-F1037 HydrophobicContact CB-CZ 3.96Å
1007	F	98.6	Very high	97.8	Very high	6 Å²	6	26.2 Å²	26.2	3%	0.026	12%	0.119	C	C	.	.	H	α-helix	trans	-67	-41.9	177.1	-172.4	-99.6	0	0	0	111.3	I1003 R1004 A1009 Y1010 R1011 N1034 F1037 F1038 Y1077 E1079	I1003-F1007 WeakPolarHBondContact O-CB 3.36Å; I1003-F1007 PolarHBondContact O-N 3.42Å; R1004-F1007 PolarHBondContact O-N 3.3Å; F1007-A1009 VanDerWaalsContact C-N 3.35Å; F1007-A1009 PolarHBondContact O-N 2.9Å; F1007-Y1010 WeakPolarHBondContact O-CB 3.37Å; F1007-Y1010 PolarHBondContact O-N 2.99Å; F1007-R1011 HydrophobicContact CD1-CG 4.07Å; F1007-R1011 HydrophobicContact CE1-CG 3.75Å; F1007-R1011 HydrophobicContact CZ-CG 4.11Å; F1007-R1011 WeakPolarHBondContact O-CG 3.37Å; F1007-R1011 PolarHBondContact O-N 3.36Å; F1007-N1034 HydrophobicContact CE2-CB 4.02Å; F1007-N1034 HydrophobicContact CZ-CB 4.13Å; F1007-F1037 HydrophobicContact CB-CD1 4.42Å; F1007-F1037 HydrophobicContact CB-CE1 3.76Å; F1007-F1037 HydrophobicContact CB-CE2 4.13Å; F1007-F1037 HydrophobicContact CB-CZ 3.6Å; F1007-F1037 HydrophobicContact CD2-CB 4.44Å; F1007-F1037 AromaticContact CD2-CD1 3.53Å; F1007-F1037 HydrophobicContact CD2-CD1 3.53Å; F1007-F1037 HydrophobicContact CD2-CD2 4.18Å; F1007-F1037 AromaticContact CD2-CE1 3.74Å; F1007-F1037 HydrophobicContact CD2-CE1 3.74Å; F1007-F1037 HydrophobicContact CD2-CE2 4.33Å; F1007-F1037 AromaticContact CD2-CG 3.8Å; F1007-F1037 HydrophobicContact CD2-CG 3.8Å; F1007-F1037 HydrophobicContact CD2-CZ 4.16Å; F1007-F1037 HydrophobicContact CE2-CD1 4.28Å; F1007-F1037 HydrophobicContact CE2-CG 4.43Å; F1007-F1037 HydrophobicContact CG-CD1 4.43Å; F1007-F1037 HydrophobicContact CG-CE1 4.22Å; F1007-F1037 HydrophobicContact CG-CZ 4.41Å; F1007-F1038 HydrophobicContact CD2-CE2 4.17Å; F1007-F1038 AromaticContact CD2-CZ 3.91Å; F1007-F1038 HydrophobicContact CD2-CZ 3.91Å; F1007-F1038 AromaticContact CE2-CE2 3.79Å; F1007-F1038 HydrophobicContact CE2-CE2 3.79Å; F1007-F1038 AromaticContact CE2-CZ 3.95Å; F1007-F1038 HydrophobicContact CE2-CZ 3.95Å; F1007-F1038 HydrophobicContact CG-CZ 4.32Å; F1007-F1038 HydrophobicContact CZ-CE2 4.27Å; F1007-F1038 HydrophobicContact CZ-CZ 4.41Å; F1007-Y1077 HydrophobicContact CB-CE1 3.94Å; F1007-Y1077 WeakPolarHBondContact CB-OH 3.21Å; F1007-Y1077 HydrophobicContact CD1-CE1 4.35Å; F1007-Y1077 WeakPolarHBondContact CD1-OH 3.41Å; F1007-Y1077 HydrophobicContact CG-CE1 4.21Å; F1007-E1079 HydrophobicContact CD1-CB 3.92Å; F1007-E1079 HydrophobicContact CD1-CG 3.97Å; F1007-E1079 HydrophobicContact CE1-CB 3.58Å; F1007-E1079 HydrophobicContact CE1-CG 3.71Å; F1007-E1079 HydrophobicContact CZ-CB 4.19Å
1008	R	98.4	Very high	97.5	Very high	49 Å²	49	30.3 Å²	30.3	19%	0.185	13%	0.134	C	C	.	.	H	α-helix	trans	-62.8	-42	175.4	-167.1	-168	-159.8	96.3	-1	111.6	W797 A798 D801 M802 E806 R1004 E1005 Y1010 R1011 R1012	W797-R1008 HydrophobicContact CH2-CG 4.35Å; W797-R1008 HydrophobicContact CZ3-CG 4.05Å; A798-R1008 HydrophobicContact CB-CB 4.04Å; A798-R1008 HydrophobicContact CB-CG 4.33Å; D801-R1008 IonicContact OD2-CZ 3.93Å; D801-R1008 IonicContact OD2-NE 2.77Å; D801-R1008 PolarHBondContact OD2-NE 2.62Å; D801-R1008 IonicContact OD2-NH2 3.43Å; D801-R1008 PolarHBondContact OD2-NH2 2.94Å; M802-R1008 VanDerWaalsContact CG-NH1 3.32Å; E806-R1008 VanDerWaalsContact CD-NH1 3.31Å; E806-R1008 IonicContact OE1-CZ 3.34Å; E806-R1008 IonicContact OE1-NH1 3.78Å; E806-R1008 PolarHBondContact OE1-NH1 2.86Å; E806-R1008 IonicContact OE1-NH2 3.82Å; E806-R1008 PolarHBondContact OE1-NH2 3.36Å; E806-R1008 IonicContact OE2-NH1 2.78Å; E806-R1008 PolarHBondContact OE2-NH1 3.19Å; R1004-R1008 WeakPolarHBondContact O-CB 3.34Å; R1004-R1008 PolarHBondContact O-N 3.46Å; E1005-R1008 PolarHBondContact O-N 3.04Å; R1008-Y1010 VanDerWaalsContact C-N 3.34Å; R1008-R1011 PolarHBondContact O-N 2.89Å; R1008-R1012 PolarHBondContact O-N 3.4Å
1009	A	98.6	Very high	97.1	Very high	2 Å²	2	33.8 Å²	33.8	2%	0.017	17%	0.17	C	C	.	.	H	α-helix	trans	-62.5	-41.2	174.7	0	0	0	0	0	111.7	G794 I795 A798 Y924 E1005 A1006 F1007 R1012 W1013	G794-A1009 WeakPolarHBondContact O-CB 3.44Å; I795-A1009 HydrophobicContact CG1-CB 3.99Å; A798-A1009 HydrophobicContact CB-CB 4.14Å; Y924-A1009 HydrophobicContact CD1-CB 4.19Å; Y924-A1009 HydrophobicContact CE1-CB 3.72Å; E1005-A1009 VanDerWaalsContact O-CB 3.31Å; E1005-A1009 WeakPolarHBondContact O-CB 3.47Å; E1005-A1009 PolarHBondContact O-N 3.2Å; A1006-A1009 PolarHBondContact O-N 3.44Å; F1007-A1009 VanDerWaalsContact C-N 3.35Å; F1007-A1009 PolarHBondContact O-N 2.9Å; A1009-R1012 PolarHBondContact O-N 2.92Å; A1009-W1013 WeakPolarHBondContact O-CB 3.03Å; A1009-W1013 PolarHBondContact O-N 2.78Å
1010	Y	98.3	Very high	96.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60	-50.9	175	172.9	-120.8	0	0	0	112.3	R920 Y924 A1006 F1007 R1008 R1012 W1013 V1014 E1023 N1033 F1037	R920-Y1010 HydrophobicContact CB-CE2 4.22Å; Y924-Y1010 AromaticContact CD2-CD2 3.66Å; Y924-Y1010 HydrophobicContact CD2-CD2 3.66Å; Y924-Y1010 HydrophobicContact CD2-CG 4.31Å; Y924-Y1010 HydrophobicContact CE2-CD2 4.25Å; Y924-Y1010 HydrophobicContact CG-CD2 4.06Å; Y924-Y1010 HydrophobicContact CG-CG 4.26Å; A1006-Y1010 WeakPolarHBondContact O-CB 3.48Å; A1006-Y1010 PolarHBondContact O-N 3.4Å; F1007-Y1010 WeakPolarHBondContact O-CB 3.37Å; F1007-Y1010 PolarHBondContact O-N 2.99Å; R1008-Y1010 VanDerWaalsContact C-N 3.34Å; Y1010-R1012 VanDerWaalsContact C-N 3.32Å; Y1010-R1012 PolarHBondContact O-N 3.19Å; Y1010-W1013 HydrophobicContact CE2-CE3 4.34Å; Y1010-W1013 WeakPolarHBondContact O-CA 3.07Å; Y1010-W1013 WeakPolarHBondContact O-CB 3.39Å; Y1010-W1013 PolarHBondContact O-N 3.25Å; Y1010-V1014 HydrophobicContact CD2-CG2 4.3Å; Y1010-V1014 HydrophobicContact CE1-CG2 4.35Å; Y1010-V1014 HydrophobicContact CE2-CG2 3.72Å; Y1010-V1014 PolarHBondContact O-N 3.41Å; Y1010-E1023 WeakPolarHBondContact CE2-OE2 3.47Å; Y1010-E1023 PolarHBondContact OH-OE2 3.06Å; Y1010-N1033 VanDerWaalsContact OH-CB 3.31Å; Y1010-N1033 WeakPolarHBondContact OH-CB 3.37Å; Y1010-F1037 HydrophobicContact CD1-CD2 4.45Å
1011	R	98.1	Very high	96.3	Very high	55 Å²	55	37.8 Å²	37.8	21%	0.208	21%	0.207	C	C	.	.	H	α-helix	trans	-59.4	-42.9	178.7	-66.7	-49.1	-51.6	175.5	4.5	111.9	F1007 R1008 W1013 V1014 D1015 E1022 N1034	F1007-R1011 HydrophobicContact CD1-CG 4.07Å; F1007-R1011 HydrophobicContact CE1-CG 3.75Å; F1007-R1011 HydrophobicContact CZ-CG 4.11Å; F1007-R1011 WeakPolarHBondContact O-CG 3.37Å; F1007-R1011 PolarHBondContact O-N 3.36Å; R1008-R1011 PolarHBondContact O-N 2.89Å; R1011-W1013 VanDerWaalsContact C-N 3.31Å; R1011-W1013 PolarHBondContact O-N 2.94Å; R1011-V1014 PolarHBondContact O-N 3.29Å; R1011-D1015 VanDerWaalsContact O-CG 3.32Å; R1011-D1015 PolarHBondContact O-N 2.86Å; R1011-E1022 IonicContact CZ-OE1 3.82Å; R1011-E1022 IonicContact NH1-OE1 3.35Å; R1011-E1022 PolarHBondContact NH1-OE1 3.33Å; R1011-E1022 IonicContact NH1-OE2 2.9Å; R1011-E1022 PolarHBondContact NH1-OE2 3.23Å; R1011-E1022 VanDerWaalsContact NH1-OE2 3.15Å; R1011-E1022 IonicContact NH2-OE1 3.1Å; R1011-E1022 PolarHBondContact NH2-OE1 3.01Å; R1011-N1034 PolarHBondContact NH1-ND2 3.16Å; R1011-N1034 PolarHBondContact NH1-OD1 3.35Å
1012	R	97.6	Very high	96	Very high	72 Å²	72	41.7 Å²	41.7	27%	0.272	23%	0.225	S	C	.	.	H	α-helix	trans	-61.1	-39.1	173	173.3	177.5	174.5	117.2	-23.5	112.6	W797 R1008 A1009 Y1010 V1014 D1015 K1016	W797-R1012 VanDerWaalsContact CD2-CD 3.42Å; W797-R1012 VanDerWaalsContact CD2-CZ 3.41Å; W797-R1012 HydrophobicContact CE3-CB 4.42Å; W797-R1012 HydrophobicContact CE3-CG 4.4Å; W797-R1012 HydrophobicContact CH2-CB 4.2Å; W797-R1012 HydrophobicContact CH2-CG 4.38Å; W797-R1012 HydrophobicContact CZ3-CB 3.81Å; W797-R1012 HydrophobicContact CZ3-CG 4.14Å; W797-R1012 VanDerWaalsContact NE1-NH1 3.11Å; R1008-R1012 PolarHBondContact O-N 3.4Å; A1009-R1012 PolarHBondContact O-N 2.92Å; Y1010-R1012 VanDerWaalsContact C-N 3.32Å; Y1010-R1012 PolarHBondContact O-N 3.19Å; R1012-V1014 VanDerWaalsContact C-N 3.35Å; R1012-D1015 PolarHBondContact O-N 3.41Å; R1012-K1016 HydrophobicContact CG-CD 3.93Å; R1012-K1016 HydrophobicContact CG-CG 4.15Å; R1012-K1016 VanDerWaalsContact CZ-CE 3.4Å; R1012-K1016 WeakPolarHBondContact O-CB 3.34Å; R1012-K1016 WeakPolarHBondContact O-CG 3.45Å; R1012-K1016 PolarHBondContact O-N 2.94Å
1013	W	97.3	Very high	95.7	Very high	29 Å²	29	42.4 Å²	42.4	11%	0.11	23%	0.228	C	C	.	.	H	α-helix	trans	-63.6	-42.1	177.6	178.2	92.9	0	0	0	111	R920 Y924 A1009 Y1010 R1011 D1015 K1016 N1017 R1018 E1023	R920-W1013 HydrophobicContact CB-CD2 4.43Å; R920-W1013 HydrophobicContact CB-CE3 4.01Å; R920-W1013 HydrophobicContact CB-CH2 3.92Å; R920-W1013 HydrophobicContact CB-CZ2 4.35Å; R920-W1013 HydrophobicContact CB-CZ3 3.72Å; R920-W1013 HydrophobicContact CG-CD2 4.31Å; R920-W1013 HydrophobicContact CG-CE3 4.16Å; R920-W1013 HydrophobicContact CG-CH2 3.3Å; R920-W1013 HydrophobicContact CG-CZ2 3.46Å; R920-W1013 VanDerWaalsContact CG-CZ2 3.46Å; R920-W1013 HydrophobicContact CG-CZ3 3.67Å; Y924-W1013 HydrophobicContact CE2-CB 4.12Å; Y924-W1013 HydrophobicContact CE2-CD2 4.42Å; Y924-W1013 HydrophobicContact CE2-CG 4.06Å; A1009-W1013 WeakPolarHBondContact O-CB 3.03Å; A1009-W1013 PolarHBondContact O-N 2.78Å; Y1010-W1013 HydrophobicContact CE2-CE3 4.34Å; Y1010-W1013 WeakPolarHBondContact O-CA 3.07Å; Y1010-W1013 WeakPolarHBondContact O-CB 3.39Å; Y1010-W1013 PolarHBondContact O-N 3.25Å; R1011-W1013 VanDerWaalsContact C-N 3.31Å; R1011-W1013 PolarHBondContact O-N 2.94Å; W1013-D1015 PolarHBondContact O-N 2.85Å; W1013-K1016 PolarHBondContact O-N 3.34Å; W1013-N1017 HydrophobicContact CD2-CB 4.31Å; W1013-N1017 HydrophobicContact CG-CB 4.43Å; W1013-N1017 HydrophobicContact CZ2-CB 4.31Å; W1013-N1017 PolarHBondContact NE1-ND2 3.41Å; W1013-N1017 WeakPolarHBondContact O-CA 3.47Å; W1013-N1017 VanDerWaalsContact O-CB 3.27Å; W1013-N1017 WeakPolarHBondContact O-CB 3.16Å; W1013-N1017 PolarHBondContact O-N 2.94Å; W1013-R1018 HydrophobicContact CH2-CG 4.04Å; W1013-R1018 HydrophobicContact CZ3-CG 4.05Å; W1013-E1023 HydrophobicContact CZ3-CG 4.04Å
1014	V	96.8	Very high	95.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58.7	-48.2	172.6	175.4	0	0	0	0	110.5	Y1010 R1011 R1012 K1016 R1018 G1019 G1020	Y1010-V1014 HydrophobicContact CD2-CG2 4.3Å; Y1010-V1014 HydrophobicContact CE1-CG2 4.35Å; Y1010-V1014 HydrophobicContact CE2-CG2 3.72Å; Y1010-V1014 PolarHBondContact O-N 3.41Å; R1011-V1014 PolarHBondContact O-N 3.29Å; R1012-V1014 VanDerWaalsContact C-N 3.35Å; V1014-K1016 PolarHBondContact O-N 3.47Å; V1014-R1018 CarbonylContact O-C 3.6Å; V1014-R1018 WeakPolarHBondContact O-CA 3.23Å; V1014-R1018 VanDerWaalsContact O-CB 3.3Å; V1014-R1018 WeakPolarHBondContact O-CB 3.3Å; V1014-R1018 PolarHBondContact O-N 2.03Å; V1014-R1018 VanDerWaalsContact O-N 3.07Å; V1014-G1019 PolarHBondContact O-N 3.21Å; V1014-G1020 PolarHBondContact O-N 3.19Å; V1014-G1020 VanDerWaalsContact O-N 3.15Å
1015	D	96	Very high	95.1	Very high	92 Å²	92	44.9 Å²	44.9	49%	0.492	24%	0.243	S	C	.	.	H	α-helix	trans	-61.9	-45.9	180	-64.9	-23.2	0	0	0	112.6	R1011 R1012 W1013 G1019 G1020	R1011-D1015 VanDerWaalsContact O-CG 3.32Å; R1011-D1015 PolarHBondContact O-N 2.86Å; R1012-D1015 PolarHBondContact O-N 3.41Å; W1013-D1015 PolarHBondContact O-N 2.85Å; D1015-G1019 CarbonylContact O-C 3.54Å; D1015-G1019 VanDerWaalsContact O-CA 3.24Å; D1015-G1019 WeakPolarHBondContact O-CA 3.45Å; D1015-G1019 PolarHBondContact O-N 3.15Å; D1015-G1020 PolarHBondContact O-N 2.77Å
1016	K	95.3	Very high	94.7	Very high	130 Å²	130	44.9 Å²	44.9	57%	0.565	24%	0.243	S	C	*	.	H	α-helix	trans	-82.8	-44.1	-173.4	-72.5	-167	168.9	-158.3	0	114.2	R1012 W1013 V1014	R1012-K1016 HydrophobicContact CG-CD 3.93Å; R1012-K1016 HydrophobicContact CG-CG 4.15Å; R1012-K1016 VanDerWaalsContact CZ-CE 3.4Å; R1012-K1016 WeakPolarHBondContact O-CB 3.34Å; R1012-K1016 WeakPolarHBondContact O-CG 3.45Å; R1012-K1016 PolarHBondContact O-N 2.94Å; W1013-K1016 PolarHBondContact O-N 3.34Å; V1014-K1016 PolarHBondContact O-N 3.47Å
1017	N	93.8	Very high	94.2	Very high	99 Å²	99	46.1 Å²	46.1	53%	0.529	25%	0.251	S	S	.	.	H	α-helix	trans	-93.6	-20.8	-171.6	-66.3	46.2	0	0	0	111.9	W1013	W1013-N1017 HydrophobicContact CD2-CB 4.31Å; W1013-N1017 HydrophobicContact CG-CB 4.43Å; W1013-N1017 HydrophobicContact CZ2-CB 4.31Å; W1013-N1017 PolarHBondContact NE1-ND2 3.41Å; W1013-N1017 WeakPolarHBondContact O-CA 3.47Å; W1013-N1017 VanDerWaalsContact O-CB 3.27Å; W1013-N1017 WeakPolarHBondContact O-CB 3.16Å; W1013-N1017 PolarHBondContact O-N 2.94Å
1018	R	91.1	Very high	93.5	Very high	87 Å²	87	48.6 Å²	48.6	33%	0.328	28%	0.279	S	S	.	.	S	Bend	trans	-117.6	6.9	177.5	-55.4	-178.4	57.5	81.3	2	113.4	W1013 V1014 G1020 A1021 E1022	W1013-R1018 HydrophobicContact CH2-CG 4.04Å; W1013-R1018 HydrophobicContact CZ3-CG 4.05Å; V1014-R1018 CarbonylContact O-C 3.6Å; V1014-R1018 WeakPolarHBondContact O-CA 3.23Å; V1014-R1018 VanDerWaalsContact O-CB 3.3Å; V1014-R1018 WeakPolarHBondContact O-CB 3.3Å; V1014-R1018 PolarHBondContact O-N 2.03Å; V1014-R1018 VanDerWaalsContact O-N 3.07Å; R1018-G1020 PolarHBondContact O-N 2.72Å; R1018-A1021 HydrophobicContact CB-CB 4.49Å; R1018-A1021 VanDerWaalsContact CB-O 3.23Å; R1018-A1021 WeakPolarHBondContact CB-O 3.47Å; R1018-A1021 WeakPolarHBondContact CD-O 3.36Å; R1018-A1021 PolarHBondContact NE-O 2.87Å; R1018-A1021 VanDerWaalsContact O-CB 3.28Å; R1018-A1021 WeakPolarHBondContact O-CB 3.31Å; R1018-A1021 PolarHBondContact O-N 3.37Å; R1018-E1022 PolarHBondContact NE-O 3.2Å; R1018-E1022 PolarHBondContact NH2-O 2.83Å
1019	G	91.8	Very high	92.8	Very high	73 Å²	73	46.5 Å²	46.5	75%	0.753	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	27.2	179.7	0	0	0	0	0	113.4	V1014 D1015 A1021	V1014-G1019 PolarHBondContact O-N 3.21Å; D1015-G1019 CarbonylContact O-C 3.54Å; D1015-G1019 VanDerWaalsContact O-CA 3.24Å; D1015-G1019 WeakPolarHBondContact O-CA 3.45Å; D1015-G1019 PolarHBondContact O-N 3.15Å; G1019-A1021 VanDerWaalsContact C-N 3.3Å
1020	G	89.6	Confident	92.2	Very high	35 Å²	35	54.5 Å²	54.5	36%	0.361	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	-1.8	-174.8	0	0	0	0	0	114.5	V1014 D1015 R1018 E1022	V1014-G1020 PolarHBondContact O-N 3.19Å; V1014-G1020 VanDerWaalsContact O-N 3.15Å; D1015-G1020 PolarHBondContact O-N 2.77Å; R1018-G1020 PolarHBondContact O-N 2.72Å; G1020-E1022 PolarHBondContact O-N 3.43Å
1021	A	89.6	Confident	91.8	Very high	54 Å²	54	55.6 Å²	55.6	45%	0.446	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-74.5	122.9	174.3	0	0	0	0	0	110.7	R1018 G1019	R1018-A1021 HydrophobicContact CB-CB 4.49Å; R1018-A1021 VanDerWaalsContact CB-O 3.23Å; R1018-A1021 WeakPolarHBondContact CB-O 3.47Å; R1018-A1021 WeakPolarHBondContact CD-O 3.36Å; R1018-A1021 PolarHBondContact NE-O 2.87Å; R1018-A1021 VanDerWaalsContact O-CB 3.28Å; R1018-A1021 WeakPolarHBondContact O-CB 3.31Å; R1018-A1021 PolarHBondContact O-N 3.37Å; G1019-A1021 VanDerWaalsContact C-N 3.3Å
1022	E	92.1	Very high	91.7	Very high	85 Å²	85	56 Å²	56	40%	0.397	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-57.1	155.5	176.5	-68.4	-62.6	157.3	0	0	111.9	R1011 R1018 G1020	R1011-E1022 IonicContact CZ-OE1 3.82Å; R1011-E1022 IonicContact NH1-OE1 3.35Å; R1011-E1022 PolarHBondContact NH1-OE1 3.33Å; R1011-E1022 IonicContact NH1-OE2 2.9Å; R1011-E1022 PolarHBondContact NH1-OE2 3.23Å; R1011-E1022 VanDerWaalsContact NH1-OE2 3.15Å; R1011-E1022 IonicContact NH2-OE1 3.1Å; R1011-E1022 PolarHBondContact NH2-OE1 3.01Å; R1018-E1022 PolarHBondContact NE-O 3.2Å; R1018-E1022 PolarHBondContact NH2-O 2.83Å; G1020-E1022 PolarHBondContact O-N 3.43Å
1023	E	93.6	Very high	91.6	Very high	15 Å²	15	52.8 Å²	52.8	7%	0.07	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-69	151.1	171.3	-63	-176.6	97.4	0	0	110.4	P919 R920 S921 Y1010 W1013 N1033	P919-E1023 WeakPolarHBondContact CA-OE1 3.02Å; R920-E1023 WeakPolarHBondContact CB-OE1 3.38Å; R920-E1023 PolarHBondContact N-OE1 2.95Å; R920-E1023 PolarHBondContact N-OE2 2.87Å; S921-E1023 PolarHBondContact N-OE2 3.08Å; S921-E1023 VanDerWaalsContact N-OE2 3.08Å; Y1010-E1023 WeakPolarHBondContact CE2-OE2 3.47Å; Y1010-E1023 PolarHBondContact OH-OE2 3.06Å; W1013-E1023 HydrophobicContact CZ3-CG 4.04Å; E1023-N1033 WeakPolarHBondContact CB-ND2 3.32Å; E1023-N1033 PolarHBondContact O-ND2 3.48Å
1024	P	91.5	Very high	91.6	Very high	30 Å²	30	53.1 Å²	53.1	20%	0.195	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-57.7	150	172	-23.5	34.7	0	0	0	111.5	E407 C409 N1033	E407-P1024 HydrophobicContact CB-CB 4.47Å; E407-P1024 HydrophobicContact CG-CB 4.24Å; E407-P1024 HydrophobicContact CG-CG 4.31Å; E407-P1024 CarbonylContact O-C 3.53Å; E407-P1024 WeakPolarHBondContact O-CA 3.05Å; E407-P1024 VanDerWaalsContact O-CB 3.27Å; E407-P1024 WeakPolarHBondContact O-CB 3.47Å; C409-P1024 HydrophobicContact CB-CB 4.03Å; P1024-N1033 PolarHBondContact O-ND2 2.98Å
1025	L	91.2	Very high	91.7	Very high	29 Å²	29	54.5 Å²	54.5	15%	0.152	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-75.7	151.1	179.3	-61	-174	0	0	0	111.4	E406 E407 F408 C409 N1032	E406-L1025 HydrophobicContact CB-CD1 3.91Å; E406-L1025 HydrophobicContact CG-CD1 3.87Å; E406-L1025 WeakPolarHBondContact OE2-CD1 3.32Å; E407-L1025 PolarHBondContact O-N 2.79Å; F408-L1025 CarbonylContact C-O 3.39Å; F408-L1025 WeakPolarHBondContact CA-O 2.97Å; F408-L1025 HydrophobicContact CD1-CB 3.82Å; F408-L1025 HydrophobicContact CE1-CB 3.88Å; F408-L1025 HydrophobicContact CE1-CD1 4.32Å; C409-L1025 PolarHBondContact N-O 2.87Å; L1025-N1032 HydrophobicContact CD2-CB 4.35Å
1026	L	91.1	Very high	91.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-77.4	135.9	170.4	-72.3	-174.8	0	0	0	110.6	C414 A417 A418 I421 P919 L922 L1029 L1036	C414-L1026 HydrophobicContact CB-CD2 3.59Å; C414-L1026 WeakPolarHBondContact O-CD2 3.31Å; A417-L1026 HydrophobicContact CB-CD1 4.15Å; A418-L1026 HydrophobicContact CB-CB 4.2Å; I421-L1026 HydrophobicContact CD1-CD1 3.85Å; P919-L1026 HydrophobicContact CG-CD2 3.68Å; P919-L1026 HydrophobicContact CG-CG 4.14Å; L922-L1026 HydrophobicContact CD1-CD1 4.4Å; L1026-L1029 HydrophobicContact CB-CB 4.39Å; L1026-L1029 HydrophobicContact CB-CD1 3.81Å; L1026-L1029 HydrophobicContact CD1-CD1 3.91Å; L1026-L1029 PolarHBondContact O-N 3.45Å; L1026-L1036 HydrophobicContact CB-CD1 4.24Å; L1026-L1036 HydrophobicContact CD1-CD1 3.7Å; L1026-L1036 HydrophobicContact CD1-CD2 4.4Å; L1026-L1036 HydrophobicContact CG-CD1 3.79Å
1027	P	88.4	Confident	91.9	Very high	26 Å²	26	44 Å²	44	17%	0.169	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	143.4	-176.3	28.4	-34.4	0	0	0	111.4	C409 L410 I415 A418 L1029	C409-P1027 VanDerWaalsContact O-CD 3.23Å; C409-P1027 WeakPolarHBondContact O-CD 3.44Å; L410-P1027 HydrophobicContact CD2-CB 3.91Å; L410-P1027 HydrophobicContact CD2-CG 4.17Å; I415-P1027 HydrophobicContact CG1-CG 4.11Å; A418-P1027 HydrophobicContact CB-CG 4.34Å; A418-P1027 VanDerWaalsContact CB-O 3.27Å; A418-P1027 WeakPolarHBondContact CB-O 3.46Å; P1027-L1029 PolarHBondContact O-N 3.2Å; P1027-L1029 VanDerWaalsContact O-N 3.16Å
1028	G	84.2	Confident	92.1	Very high	59 Å²	59	39.2 Å²	39.2	61%	0.608	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.8	-1.1	179.3	0	0	0	0	0	114.9
1029	L	83.8	Confident	92.4	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.026	23%	0.228	C	C	.	.			trans	-107.1	118.3	171.8	-73.1	167.8	0	0	0	108.7	A418 I421 L422 L425 L1026 P1027 L1031 L1036	A418-L1029 HydrophobicContact CB-CD1 4.03Å; I421-L1029 HydrophobicContact CB-CD1 4.02Å; I421-L1029 HydrophobicContact CD1-CD1 4.15Å; I421-L1029 HydrophobicContact CG2-CD1 3.79Å; I421-L1029 HydrophobicContact CG2-CD2 3.78Å; I421-L1029 HydrophobicContact CG2-CG 4.48Å; L422-L1029 HydrophobicContact CD2-CD2 3.45Å; L422-L1029 VanDerWaalsContact CD2-CD2 3.45Å; L422-L1029 HydrophobicContact CD2-CG 4.22Å; L422-L1029 HydrophobicContact CG-CD2 3.67Å; L422-L1029 HydrophobicContact CG-CG 4.1Å; L425-L1029 HydrophobicContact CD1-CD2 4.08Å; L1026-L1029 HydrophobicContact CB-CB 4.39Å; L1026-L1029 HydrophobicContact CB-CD1 3.81Å; L1026-L1029 HydrophobicContact CD1-CD1 3.91Å; L1026-L1029 PolarHBondContact O-N 3.45Å; P1027-L1029 PolarHBondContact O-N 3.2Å; P1027-L1029 VanDerWaalsContact O-N 3.16Å; L1029-L1031 HydrophobicContact CD2-CD1 4.41Å; L1029-L1031 PolarHBondContact O-N 3.4Å; L1029-L1036 HydrophobicContact CD1-CD2 4.1Å
1030	E	85.9	Confident	92.7	Very high	170 Å²	170	31.8 Å²	31.8	79%	0.794	19%	0.193	S	C	*	.			trans	-80.6	45.2	172.9	-65	173.5	-177.7	0	0	110.2
1031	L	89.9	Confident	93.1	Very high	22 Å²	22	30.1 Å²	30.1	12%	0.115	18%	0.176	C	C	.	.			trans	-133.5	134.6	-173.1	-62.9	176.2	0	0	0	110.8	L1029 Q1035 L1036 L1039 F1084	L1029-L1031 HydrophobicContact CD2-CD1 4.41Å; L1029-L1031 PolarHBondContact O-N 3.4Å; L1031-Q1035 VanDerWaalsContact CA-OE1 3.26Å; L1031-Q1035 HydrophobicContact CB-CB 4.22Å; L1031-Q1035 HydrophobicContact CD2-CB 4.24Å; L1031-L1036 HydrophobicContact CB-CD2 4.12Å; L1031-L1036 HydrophobicContact CB-CG 4.49Å; L1031-L1036 HydrophobicContact CD1-CD2 4.42Å; L1031-L1039 HydrophobicContact CD1-CD1 3.26Å; L1031-F1084 HydrophobicContact CD2-CE1 4.47Å
1032	N	94.6	Very high	93.5	Very high	65 Å²	65	27.6 Å²	27.6	35%	0.348	16%	0.155	S	C	.	.			trans	-80.5	168	175.3	69.6	49.7	0	0	0	112	L1025 N1034 Q1035 L1036	L1025-N1032 HydrophobicContact CD2-CB 4.35Å; N1032-N1034 VanDerWaalsContact C-N 3.29Å; N1032-N1034 PolarHBondContact O-N 3.07Å; N1032-N1034 WeakPolarHBondContact OD1-CA 3.37Å; N1032-N1034 WeakPolarHBondContact OD1-CB 3.49Å; N1032-N1034 PolarHBondContact OD1-N 3.01Å; N1032-Q1035 PolarHBondContact ND2-OE1 3.41Å; N1032-Q1035 WeakPolarHBondContact O-CB 3.47Å; N1032-Q1035 PolarHBondContact O-N 3.4Å; N1032-Q1035 PolarHBondContact OD1-N 3.29Å; N1032-L1036 WeakPolarHBondContact O-CG 3.46Å; N1032-L1036 PolarHBondContact O-N 3.23Å
1033	N	96.2	Very high	93.7	Very high	3 Å²	3	24 Å²	24	2%	0.016	14%	0.138	C	C	.	.	H	α-helix	trans	-64.8	-27	-176.1	-79	-65.1	0	0	0	114.6	S921 Y1010 E1023 P1024 L1036 F1037	S921-N1033 WeakPolarHBondContact CB-O 3.47Å; S921-N1033 PolarHBondContact OG-OD1 3.27Å; Y1010-N1033 VanDerWaalsContact OH-CB 3.31Å; Y1010-N1033 WeakPolarHBondContact OH-CB 3.37Å; E1023-N1033 WeakPolarHBondContact CB-ND2 3.32Å; E1023-N1033 PolarHBondContact O-ND2 3.48Å; P1024-N1033 PolarHBondContact O-ND2 2.98Å; N1033-L1036 PolarHBondContact O-N 3.38Å; N1033-F1037 PolarHBondContact O-N 3.48Å
1034	N	97.6	Very high	93.8	Very high	36 Å²	36	23.3 Å²	23.3	19%	0.193	14%	0.135	C	C	.	.	H	α-helix	trans	-68.6	-39.9	171.9	-65.9	-21.2	0	0	0	111.3	F1007 R1011 N1032 F1037 F1038 A1083	F1007-N1034 HydrophobicContact CE2-CB 4.02Å; F1007-N1034 HydrophobicContact CZ-CB 4.13Å; R1011-N1034 PolarHBondContact NH1-ND2 3.16Å; R1011-N1034 PolarHBondContact NH1-OD1 3.35Å; N1032-N1034 VanDerWaalsContact C-N 3.29Å; N1032-N1034 PolarHBondContact O-N 3.07Å; N1032-N1034 WeakPolarHBondContact OD1-CA 3.37Å; N1032-N1034 WeakPolarHBondContact OD1-CB 3.49Å; N1032-N1034 PolarHBondContact OD1-N 3.01Å; N1034-F1037 WeakPolarHBondContact O-CB 3.46Å; N1034-F1037 PolarHBondContact O-N 3.36Å; N1034-F1038 WeakPolarHBondContact O-CD2 3.49Å; N1034-F1038 PolarHBondContact O-N 3.39Å; N1034-A1083 HydrophobicContact CB-CB 4.49Å
1035	Q	97.9	Very high	94	Very high	30 Å²	30	22.3 Å²	22.3	14%	0.14	13%	0.127	C	C	.	.	H	α-helix	trans	-66.4	-38.4	173.8	-68	169.6	-38.8	0	0	111.5	L1031 N1032 F1037 F1038 L1039 A1083 F1084	L1031-Q1035 VanDerWaalsContact CA-OE1 3.26Å; L1031-Q1035 HydrophobicContact CB-CB 4.22Å; L1031-Q1035 HydrophobicContact CD2-CB 4.24Å; N1032-Q1035 PolarHBondContact ND2-OE1 3.41Å; N1032-Q1035 WeakPolarHBondContact O-CB 3.47Å; N1032-Q1035 PolarHBondContact O-N 3.4Å; N1032-Q1035 PolarHBondContact OD1-N 3.29Å; Q1035-F1037 VanDerWaalsContact C-N 3.32Å; Q1035-F1037 PolarHBondContact O-N 3.44Å; Q1035-F1038 PolarHBondContact O-N 3.05Å; Q1035-L1039 PolarHBondContact O-N 2.82Å; Q1035-A1083 HydrophobicContact CG-CB 4.25Å; Q1035-A1083 WeakPolarHBondContact CG-O 3.45Å; Q1035-A1083 PolarHBondContact NE2-O 2.71Å; Q1035-F1084 HydrophobicContact CB-CE1 4.1Å; Q1035-F1084 HydrophobicContact CB-CE2 4.09Å; Q1035-F1084 HydrophobicContact CB-CZ 3.59Å; Q1035-F1084 HydrophobicContact CG-CD1 4.38Å; Q1035-F1084 HydrophobicContact CG-CD2 4.41Å; Q1035-F1084 HydrophobicContact CG-CE1 3.96Å; Q1035-F1084 HydrophobicContact CG-CE2 3.99Å; Q1035-F1084 HydrophobicContact CG-CZ 3.74Å
1036	L	97.8	Very high	94.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.7	-35.1	175.5	-66.2	179.9	0	0	0	112.8	I421 L922 L1026 L1029 L1031 N1032 N1033 L1039 S1040	I421-L1036 HydrophobicContact CD1-CD2 4.18Å; L922-L1036 HydrophobicContact CD2-CB 4.07Å; L1026-L1036 HydrophobicContact CB-CD1 4.24Å; L1026-L1036 HydrophobicContact CD1-CD1 3.7Å; L1026-L1036 HydrophobicContact CD1-CD2 4.4Å; L1026-L1036 HydrophobicContact CG-CD1 3.79Å; L1029-L1036 HydrophobicContact CD1-CD2 4.1Å; L1031-L1036 HydrophobicContact CB-CD2 4.12Å; L1031-L1036 HydrophobicContact CB-CG 4.49Å; L1031-L1036 HydrophobicContact CD1-CD2 4.42Å; N1032-L1036 WeakPolarHBondContact O-CG 3.46Å; N1032-L1036 PolarHBondContact O-N 3.23Å; N1033-L1036 PolarHBondContact O-N 3.38Å; L1036-L1039 HydrophobicContact CD2-CD1 4.4Å; L1036-L1039 PolarHBondContact O-N 2.87Å; L1036-S1040 WeakPolarHBondContact O-CB 3.22Å; L1036-S1040 PolarHBondContact O-N 3.04Å
1037	F	98.5	Very high	94.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-56.8	-51.1	172	169.9	-79.4	0	0	0	111.2	S921 Y924 G925 V929 I1003 A1006 F1007 Y1010 N1033 N1034 Q1035 L1039 S1040 Y1041	S921-F1037 WeakPolarHBondContact O-CA 3.23Å; Y924-F1037 WeakPolarHBondContact O-CE2 3.37Å; G925-F1037 VanDerWaalsContact CA-CD2 3.43Å; G925-F1037 VanDerWaalsContact CA-CE2 3.5Å; G925-F1037 WeakPolarHBondContact CA-O 3.37Å; G925-F1037 VanDerWaalsContact N-CD2 3.26Å; V929-F1037 HydrophobicContact CG2-CE2 4.42Å; V929-F1037 HydrophobicContact CG2-CZ 3.84Å; I1003-F1037 HydrophobicContact CG1-CE1 3.94Å; I1003-F1037 HydrophobicContact CG1-CZ 4.36Å; A1006-F1037 HydrophobicContact CB-CE2 4.04Å; A1006-F1037 HydrophobicContact CB-CZ 3.96Å; F1007-F1037 HydrophobicContact CB-CD1 4.42Å; F1007-F1037 HydrophobicContact CB-CE1 3.76Å; F1007-F1037 HydrophobicContact CB-CE2 4.13Å; F1007-F1037 HydrophobicContact CB-CZ 3.6Å; F1007-F1037 HydrophobicContact CD2-CB 4.44Å; F1007-F1037 AromaticContact CD2-CD1 3.53Å; F1007-F1037 HydrophobicContact CD2-CD1 3.53Å; F1007-F1037 HydrophobicContact CD2-CD2 4.18Å; F1007-F1037 AromaticContact CD2-CE1 3.74Å; F1007-F1037 HydrophobicContact CD2-CE1 3.74Å; F1007-F1037 HydrophobicContact CD2-CE2 4.33Å; F1007-F1037 AromaticContact CD2-CG 3.8Å; F1007-F1037 HydrophobicContact CD2-CG 3.8Å; F1007-F1037 HydrophobicContact CD2-CZ 4.16Å; F1007-F1037 HydrophobicContact CE2-CD1 4.28Å; F1007-F1037 HydrophobicContact CE2-CG 4.43Å; F1007-F1037 HydrophobicContact CG-CD1 4.43Å; F1007-F1037 HydrophobicContact CG-CE1 4.22Å; F1007-F1037 HydrophobicContact CG-CZ 4.41Å; Y1010-F1037 HydrophobicContact CD1-CD2 4.45Å; N1033-F1037 PolarHBondContact O-N 3.48Å; N1034-F1037 WeakPolarHBondContact O-CB 3.46Å; N1034-F1037 PolarHBondContact O-N 3.36Å; Q1035-F1037 VanDerWaalsContact C-N 3.32Å; Q1035-F1037 PolarHBondContact O-N 3.44Å; F1037-L1039 PolarHBondContact O-N 3.44Å; F1037-S1040 WeakPolarHBondContact O-CB 3.35Å; F1037-S1040 PolarHBondContact O-N 3.35Å; F1037-Y1041 PolarHBondContact O-N 3.35Å; F1037-Y1041 VanDerWaalsContact O-N 3.15Å
1038	F	98.5	Very high	94.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-66	-38.8	-178.9	-72.7	-59	0	0	0	112	F435 I1003 F1007 N1034 Q1035 Y1041 A1042 M1074 Y1077 E1079 F1080 A1083 F1084	F435-F1038 HydrophobicContact CE1-CB 4.44Å; F435-F1038 HydrophobicContact CZ-CB 4.17Å; I1003-F1038 HydrophobicContact CD1-CD1 4.07Å; I1003-F1038 HydrophobicContact CD1-CE1 4.12Å; I1003-F1038 HydrophobicContact CG1-CE1 4.43Å; F1007-F1038 HydrophobicContact CD2-CE2 4.17Å; F1007-F1038 AromaticContact CD2-CZ 3.91Å; F1007-F1038 HydrophobicContact CD2-CZ 3.91Å; F1007-F1038 AromaticContact CE2-CE2 3.79Å; F1007-F1038 HydrophobicContact CE2-CE2 3.79Å; F1007-F1038 AromaticContact CE2-CZ 3.95Å; F1007-F1038 HydrophobicContact CE2-CZ 3.95Å; F1007-F1038 HydrophobicContact CG-CZ 4.32Å; F1007-F1038 HydrophobicContact CZ-CE2 4.27Å; F1007-F1038 HydrophobicContact CZ-CZ 4.41Å; N1034-F1038 WeakPolarHBondContact O-CD2 3.49Å; N1034-F1038 PolarHBondContact O-N 3.39Å; Q1035-F1038 PolarHBondContact O-N 3.05Å; F1038-Y1041 PolarHBondContact O-N 3.47Å; F1038-A1042 PolarHBondContact O-N 3.41Å; F1038-M1074 HydrophobicContact CB-CE 3.87Å; F1038-M1074 HydrophobicContact CD1-CE 4.03Å; F1038-M1074 HydrophobicContact CG-CE 4.42Å; F1038-M1074 WeakPolarHBondContact O-CE 2.85Å; F1038-Y1077 AromaticContact CE1-CD1 3.71Å; F1038-Y1077 HydrophobicContact CE1-CD1 3.71Å; F1038-Y1077 AromaticContact CE1-CE1 3.86Å; F1038-Y1077 HydrophobicContact CE1-CE1 3.86Å; F1038-Y1077 AromaticContact CZ-CD1 3.99Å; F1038-Y1077 HydrophobicContact CZ-CD1 3.99Å; F1038-Y1077 AromaticContact CZ-CE1 3.9Å; F1038-Y1077 HydrophobicContact CZ-CE1 3.9Å; F1038-E1079 HydrophobicContact CZ-CB 4.19Å; F1038-F1080 HydrophobicContact CB-CD2 4.07Å; F1038-F1080 HydrophobicContact CB-CE2 4.44Å; F1038-F1080 HydrophobicContact CD1-CB 4.18Å; F1038-F1080 AromaticContact CD1-CD2 3.85Å; F1038-F1080 HydrophobicContact CD1-CD2 3.85Å; F1038-F1080 HydrophobicContact CD2-CD2 4.16Å; F1038-F1080 HydrophobicContact CE1-CB 3.84Å; F1038-F1080 HydrophobicContact CE1-CD2 4.38Å; F1038-F1080 HydrophobicContact CE2-CB 4.26Å; F1038-F1080 AromaticContact CG-CD2 3.75Å; F1038-F1080 HydrophobicContact CG-CD2 3.75Å; F1038-F1080 HydrophobicContact CZ-CB 3.89Å; F1038-A1083 HydrophobicContact CD2-CB 3.88Å; F1038-A1083 HydrophobicContact CE2-CB 3.73Å; F1038-F1084 HydrophobicContact CB-CE2 3.87Å; F1038-F1084 HydrophobicContact CD2-CE2 4.12Å; F1038-F1084 HydrophobicContact CG-CE2 4.34Å
1039	L	97.6	Very high	95.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62	-42.5	172.2	-80.7	179.3	0	0	0	112.6	I421 L425 F435 F438 L1031 Q1035 L1036 F1037 Y1041 A1042 H1043	I421-L1039 HydrophobicContact CG2-CD1 4.23Å; L425-L1039 HydrophobicContact CD2-CD1 4.05Å; L425-L1039 HydrophobicContact CD2-CD2 3.64Å; F435-L1039 HydrophobicContact CE1-CD2 4.26Å; F435-L1039 HydrophobicContact CE2-CD2 4.39Å; F435-L1039 HydrophobicContact CZ-CD2 3.73Å; F435-L1039 HydrophobicContact CZ-CG 4.12Å; F438-L1039 HydrophobicContact CD1-CD2 4.2Å; F438-L1039 HydrophobicContact CE1-CD2 3.89Å; L1031-L1039 HydrophobicContact CD1-CD1 3.26Å; Q1035-L1039 PolarHBondContact O-N 2.82Å; L1036-L1039 HydrophobicContact CD2-CD1 4.4Å; L1036-L1039 PolarHBondContact O-N 2.87Å; F1037-L1039 PolarHBondContact O-N 3.44Å; L1039-Y1041 VanDerWaalsContact C-N 3.29Å; L1039-Y1041 PolarHBondContact O-N 3.01Å; L1039-A1042 PolarHBondContact O-N 3.15Å; L1039-A1042 VanDerWaalsContact O-N 3.14Å; L1039-H1043 WeakPolarHBondContact O-CB 3.49Å; L1039-H1043 PolarHBondContact O-CD2 2.76Å; L1039-H1043 VanDerWaalsContact O-CD2 3.31Å; L1039-H1043 VanDerWaalsContact O-CG 3.25Å; L1039-H1043 PolarHBondContact O-N 2.93Å
1040	S	97.4	Very high	96	Very high	4 Å²	4	22.9 Å²	22.9	3%	0.028	11%	0.111	C	C	.	.	H	α-helix	trans	-59.7	-40.6	178.8	-163.8	0	0	0	0	111.7	L922 A926 L1036 F1037 A1042 H1043 V1044	L922-S1040 WeakPolarHBondContact O-CB 3.42Å; L922-S1040 PolarHBondContact O-OG 3.32Å; A926-S1040 WeakPolarHBondContact CB-OG 3.16Å; L1036-S1040 WeakPolarHBondContact O-CB 3.22Å; L1036-S1040 PolarHBondContact O-N 3.04Å; F1037-S1040 WeakPolarHBondContact O-CB 3.35Å; F1037-S1040 PolarHBondContact O-N 3.35Å; S1040-A1042 PolarHBondContact O-N 2.87Å; S1040-H1043 PolarHBondContact O-N 2.93Å; S1040-V1044 PolarHBondContact O-N 3.03Å
1041	Y	97.7	Very high	96.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.6	-41.6	174.6	172.9	-98.6	0	0	0	113.4	G925 V929 I1003 F1037 F1038 L1039 V1044 R1045 R1069 V1070 A1073 M1074	G925-Y1041 WeakPolarHBondContact O-CA 3.37Å; G925-Y1041 VanDerWaalsContact O-CB 3.26Å; G925-Y1041 WeakPolarHBondContact O-CB 3.38Å; G925-Y1041 PolarHBondContact O-N 3.03Å; G925-Y1041 VanDerWaalsContact O-N 3.11Å; V929-Y1041 HydrophobicContact CB-CD2 3.85Å; V929-Y1041 HydrophobicContact CB-CE2 4.31Å; V929-Y1041 HydrophobicContact CG1-CD2 3.42Å; V929-Y1041 VanDerWaalsContact CG1-CD2 3.42Å; V929-Y1041 HydrophobicContact CG1-CE2 3.38Å; V929-Y1041 HydrophobicContact CG2-CD2 3.83Å; I1003-Y1041 HydrophobicContact CB-CE2 4.43Å; I1003-Y1041 HydrophobicContact CD1-CD1 3.83Å; I1003-Y1041 HydrophobicContact CD1-CD2 4.2Å; I1003-Y1041 HydrophobicContact CD1-CE1 3.93Å; I1003-Y1041 HydrophobicContact CD1-CE2 4.33Å; I1003-Y1041 HydrophobicContact CD1-CG 3.93Å; I1003-Y1041 HydrophobicContact CG1-CD2 4.4Å; F1037-Y1041 PolarHBondContact O-N 3.35Å; F1037-Y1041 VanDerWaalsContact O-N 3.15Å; F1038-Y1041 PolarHBondContact O-N 3.47Å; L1039-Y1041 VanDerWaalsContact C-N 3.29Å; L1039-Y1041 PolarHBondContact O-N 3.01Å; Y1041-V1044 VanDerWaalsContact O-CG2 3.25Å; Y1041-V1044 WeakPolarHBondContact O-CG2 3.48Å; Y1041-R1045 VanDerWaalsContact CZ-CZ 3.46Å; Y1041-R1045 PolarHBondContact O-NH1 2.86Å; Y1041-R1069 PolarHBondContact OH-O 3.27Å; Y1041-V1070 HydrophobicContact CE1-CG2 4.3Å; Y1041-A1073 HydrophobicContact CE1-CB 4.41Å; Y1041-A1073 WeakPolarHBondContact OH-CB 3.36Å; Y1041-M1074 HydrophobicContact CD1-CE 3.39Å; Y1041-M1074 HydrophobicContact CD1-SD 4.34Å; Y1041-M1074 HydrophobicContact CE1-CE 4.18Å; Y1041-M1074 HydrophobicContact CE1-CG 4.47Å; Y1041-M1074 HydrophobicContact CG-CE 4.21Å
1042	A	97.8	Very high	96.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-73.5	-39.9	178.9	0	0	0	0	0	111.8	F435 S439 F1038 L1039 S1040 V1044 R1045 C1046 V1070 M1074	F435-A1042 HydrophobicContact CD1-CB 4.14Å; F435-A1042 HydrophobicContact CE1-CB 3.89Å; S439-A1042 VanDerWaalsContact OG-CB 3.23Å; S439-A1042 WeakPolarHBondContact OG-CB 3.45Å; F1038-A1042 PolarHBondContact O-N 3.41Å; L1039-A1042 PolarHBondContact O-N 3.15Å; L1039-A1042 VanDerWaalsContact O-N 3.14Å; S1040-A1042 PolarHBondContact O-N 2.87Å; A1042-V1044 PolarHBondContact O-N 3.26Å; A1042-R1045 CarbonylContact O-C 3.6Å; A1042-R1045 WeakPolarHBondContact O-CA 3.37Å; A1042-R1045 WeakPolarHBondContact O-CB 3.49Å; A1042-R1045 PolarHBondContact O-N 3.22Å; A1042-C1046 PolarHBondContact O-N 3.15Å; A1042-V1070 HydrophobicContact CB-CG1 3.8Å; A1042-V1070 HydrophobicContact CB-CG2 4.05Å; A1042-M1074 HydrophobicContact CB-CE 4.41Å
1043	H	96	Very high	96.8	Very high	9 Å²	9	16.8 Å²	16.8	4%	0.042	9%	0.087	C	C	.	.	H	α-helix	trans	-58.6	-44.1	-177.8	-78.6	-170.6	0	0	0	112.9	K424 S439 I458 L1039 S1040 R1045 C1046	K424-H1043 HydrophobicContact CD-CB 4.46Å; S439-H1043 PolarHBondContact O-CD2 3.02Å; S439-H1043 PolarHBondContact O-NE2 3.2Å; I458-H1043 VanDerWaalsContact CG1-O 3.23Å; I458-H1043 WeakPolarHBondContact CG1-O 3.41Å; L1039-H1043 WeakPolarHBondContact O-CB 3.49Å; L1039-H1043 PolarHBondContact O-CD2 2.76Å; L1039-H1043 VanDerWaalsContact O-CD2 3.31Å; L1039-H1043 VanDerWaalsContact O-CG 3.25Å; L1039-H1043 PolarHBondContact O-N 2.93Å; S1040-H1043 PolarHBondContact O-N 2.93Å; H1043-R1045 PolarHBondContact O-N 3.39Å; H1043-C1046 PolarHBondContact O-N 2.76Å; H1043-C1046 VanDerWaalsContact O-N 3.1Å; H1043-C1046 PolarHBondContact O-SG 2.92Å; H1043-C1046 VanDerWaalsContact O-SG 3.33Å
1044	V	95.5	Very high	96.9	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.006	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-12.2	177.8	-64.7	0	0	0	0	113.6	Y459 P911 F912 A926 S1040 Y1041 A1042	Y459-V1044 WeakPolarHBondContact CD2-O 3.43Å; Y459-V1044 WeakPolarHBondContact CE2-O 3.43Å; P911-V1044 HydrophobicContact CG-CG1 4.48Å; F912-V1044 HydrophobicContact CD1-CB 3.84Å; F912-V1044 HydrophobicContact CD1-CG1 3.62Å; F912-V1044 HydrophobicContact CE1-CB 3.48Å; F912-V1044 VanDerWaalsContact CE1-CB 3.48Å; F912-V1044 HydrophobicContact CE1-CG1 3.77Å; F912-V1044 HydrophobicContact CE1-CG2 4.37Å; F912-V1044 HydrophobicContact CG-CG1 4.19Å; F912-V1044 HydrophobicContact CZ-CB 4.15Å; F912-V1044 HydrophobicContact CZ-CG1 4.41Å; A926-V1044 HydrophobicContact CB-CG1 3.81Å; S1040-V1044 PolarHBondContact O-N 3.03Å; Y1041-V1044 VanDerWaalsContact O-CG2 3.25Å; Y1041-V1044 WeakPolarHBondContact O-CG2 3.48Å; A1042-V1044 PolarHBondContact O-N 3.26Å
1045	R	95.4	Very high	96.8	Very high	9 Å²	9	17.3 Å²	17.3	3%	0.034	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	5.5	177.7	-69.4	169.4	175.8	71.4	2.3	113.2	Y436 D999 Y1041 A1042 H1043 N1047 P1066 V1070	Y436-R1045 WeakPolarHBondContact CE2-O 3.45Å; Y436-R1045 PolarHBondContact OH-O 3.09Å; Y436-R1045 VanDerWaalsContact OH-O 3.08Å; D999-R1045 IonicContact OD1-CZ 3.15Å; D999-R1045 IonicContact OD1-NE 3.45Å; D999-R1045 IonicContact OD1-NH2 3.35Å; D999-R1045 PolarHBondContact OD1-NH2 3.17Å; Y1041-R1045 VanDerWaalsContact CZ-CZ 3.46Å; Y1041-R1045 PolarHBondContact O-NH1 2.86Å; A1042-R1045 CarbonylContact O-C 3.6Å; A1042-R1045 WeakPolarHBondContact O-CA 3.37Å; A1042-R1045 WeakPolarHBondContact O-CB 3.49Å; A1042-R1045 PolarHBondContact O-N 3.22Å; H1043-R1045 PolarHBondContact O-N 3.39Å; R1045-N1047 PolarHBondContact O-N 3.27Å; R1045-P1066 HydrophobicContact CB-CB 4.25Å; R1045-P1066 WeakPolarHBondContact O-CB 3.1Å; R1045-V1070 HydrophobicContact CB-CG2 3.89Å; R1045-V1070 HydrophobicContact CG-CG2 4.44Å
1046	C	97.1	Very high	96.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.091	C	C	.	.			trans	-64.5	120.2	172.8	-55.8	0	0	0	0	109.9	C440 W443 G457 I458 A1042 H1043	C440-C1046 VanDerWaalsContact CA-SG 3.51Å; C440-C1046 HydrophobicContact CB-CB 3.73Å; C440-C1046 WeakPolarHBondContact CB-SG 3.31Å; C440-C1046 WeakPolarHBondContact SG-CA 3.35Å; C440-C1046 WeakPolarHBondContact SG-CB 3.38Å; C440-C1046 CovalentContact SG-SG 2.04Å; C440-C1046 PolarHBondContact SG-SG 3.04Å; W443-C1046 HydrophobicContact CD2-CB 4.1Å; W443-C1046 HydrophobicContact CE3-CB 3.9Å; W443-C1046 HydrophobicContact CG-CB 4.38Å; G457-C1046 CarbonylContact C-O 3.32Å; G457-C1046 WeakPolarHBondContact CA-O 3.25Å; I458-C1046 HydrophobicContact CG1-CB 4.16Å; I458-C1046 PolarHBondContact N-O 3.44Å; A1042-C1046 PolarHBondContact O-N 3.15Å; H1043-C1046 PolarHBondContact O-N 2.76Å; H1043-C1046 VanDerWaalsContact O-N 3.1Å; H1043-C1046 PolarHBondContact O-SG 2.92Å; H1043-C1046 VanDerWaalsContact O-SG 3.33Å
1047	N	95.9	Very high	96.5	Very high	20 Å²	20	20.5 Å²	20.5	11%	0.107	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	134.6	-177.3	-166.9	-1.2	0	0	0	111.3	Y436 H456 G457 R1045 Y1049 P1066	Y436-N1047 PolarHBondContact OH-N 3.03Å; Y436-N1047 PolarHBondContact OH-O 2.93Å; H456-N1047 PolarHBondContact N-OD1 2.04Å; H456-N1047 WeakPolarHBondContact O-CA 3.32Å; H456-N1047 PolarHBondContact O-OD1 3.21Å; G457-N1047 WeakPolarHBondContact CA-OD1 3.38Å; G457-N1047 PolarHBondContact N-OD1 3.28Å; R1045-N1047 PolarHBondContact O-N 3.27Å; N1047-Y1049 HydrophobicContact CB-CE2 4.13Å; N1047-Y1049 VanDerWaalsContact ND2-CE2 3.29Å; N1047-Y1049 WeakPolarHBondContact ND2-CE2 3.01Å; N1047-Y1049 PolarHBondContact ND2-OH 3.18Å; N1047-P1066 HydrophobicContact CB-CB 4.43Å; N1047-P1066 HydrophobicContact CB-CG 4.04Å
1048	S	94.9	Very high	96.3	Very high	26 Å²	26	20.9 Å²	20.9	18%	0.182	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	140.6	174.4	-61.3	0	0	0	0	110.3	L444 S455 H456	L444-S1048 WeakPolarHBondContact CD2-OG 3.21Å; S455-S1048 CarbonylContact C-O 3.07Å; S455-S1048 WeakPolarHBondContact CA-O 2.99Å; S455-S1048 WeakPolarHBondContact CB-O 3.36Å; H456-S1048 PolarHBondContact N-O 3.22Å; H456-S1048 PolarHBondContact O-N 3.32Å
1049	Y	95.9	Very high	96.1	Very high	45 Å²	45	21.5 Å²	21.5	18%	0.176	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	145.7	177.4	-75.5	-103.4	0	0	0	111.5	W980 N1047 A1053 P1066	W980-Y1049 HydrophobicContact CH2-CD1 4.26Å; W980-Y1049 AromaticContact CH2-CD2 3.58Å; W980-Y1049 HydrophobicContact CH2-CD2 3.58Å; W980-Y1049 HydrophobicContact CH2-CE2 4.05Å; W980-Y1049 AromaticContact CH2-CG 3.7Å; W980-Y1049 HydrophobicContact CH2-CG 3.7Å; W980-Y1049 AromaticContact CZ2-CD2 3.79Å; W980-Y1049 HydrophobicContact CZ2-CD2 3.79Å; W980-Y1049 HydrophobicContact CZ2-CE2 4.48Å; W980-Y1049 HydrophobicContact CZ2-CG 4.14Å; N1047-Y1049 HydrophobicContact CB-CE2 4.13Å; N1047-Y1049 VanDerWaalsContact ND2-CE2 3.29Å; N1047-Y1049 WeakPolarHBondContact ND2-CE2 3.01Å; N1047-Y1049 PolarHBondContact ND2-OH 3.18Å; Y1049-A1053 HydrophobicContact CD1-CB 4.21Å; Y1049-P1066 HydrophobicContact CE2-CG 3.96Å
1050	R	96.8	Very high	95.8	Very high	41 Å²	41	23.3 Å²	23.3	16%	0.155	12%	0.118	C	C	.	.			trans	-69.9	147.6	162.9	-64	-173.9	-178	-93.1	-3.3	109.4	I449 P450 E451 S453 S454 G748 E1052 A1053 A1054	I449-R1050 HydrophobicContact CD1-CG 3.89Å; I449-R1050 HydrophobicContact CG2-CG 4.22Å; I449-R1050 PolarHBondContact O-NH2 2.77Å; P450-R1050 PolarHBondContact O-NH2 3.28Å; E451-R1050 IonicContact OE1-CZ 2.86Å; E451-R1050 IonicContact OE1-NH1 2.85Å; E451-R1050 IonicContact OE1-NH2 3.84Å; E451-R1050 PolarHBondContact OE1-NH2 3.31Å; S453-R1050 PolarHBondContact O-NE 3.04Å; S454-R1050 PolarHBondContact O-N 3.38Å; G748-R1050 WeakPolarHBondContact O-CD 3.25Å; G748-R1050 PolarHBondContact O-NE 2.94Å; R1050-E1052 PolarHBondContact O-N 3.45Å; R1050-E1052 VanDerWaalsContact O-N 3.17Å; R1050-A1053 PolarHBondContact O-N 3.14Å; R1050-A1054 PolarHBondContact O-N 3.16Å
1051	P	96.5	Very high	95.6	Very high	65 Å²	65	23.6 Å²	23.6	42%	0.422	12%	0.122	S	C	.	.	H	α-helix	trans	-54.9	-37.9	-175.1	-28.9	36.5	0	0	0	114.4	E982 A1054 R1055	E982-P1051 VanDerWaalsContact O-CA 3.28Å; E982-P1051 WeakPolarHBondContact O-CA 3.45Å; E982-P1051 WeakPolarHBondContact O-CB 3.08Å; P1051-A1054 PolarHBondContact O-N 2.91Å; P1051-R1055 PolarHBondContact O-N 3.42Å; P1051-R1055 VanDerWaalsContact O-N 3.08Å
1052	E	95.9	Very high	95.4	Very high	59 Å²	59	24.9 Å²	24.9	28%	0.276	13%	0.133	S	C	.	.	H	α-helix	trans	-63.1	-46.9	177.5	-57.9	74.5	-163	0	0	111.1	V745 G748 R1050 R1055 E1056	V745-E1052 WeakPolarHBondContact O-CG 3.21Å; G748-E1052 WeakPolarHBondContact CA-OE2 3.24Å; R1050-E1052 PolarHBondContact O-N 3.45Å; R1050-E1052 VanDerWaalsContact O-N 3.17Å; E1052-R1055 PolarHBondContact O-N 3.47Å; E1052-E1056 PolarHBondContact O-N 3.05Å; E1052-E1056 VanDerWaalsContact O-N 3.08Å
1053	A	96.3	Very high	95.4	Very high	5 Å²	5	27.8 Å²	27.8	4%	0.041	15%	0.146	C	C	.	.	H	α-helix	trans	-70.8	-34.6	178.4	0	0	0	0	0	112.9	Y1049 R1050 R1055 E1056 Q1057	Y1049-A1053 HydrophobicContact CD1-CB 4.21Å; R1050-A1053 PolarHBondContact O-N 3.14Å; A1053-R1055 VanDerWaalsContact C-N 3.33Å; A1053-E1056 PolarHBondContact O-N 3.01Å; A1053-Q1057 WeakPolarHBondContact O-CB 3.37Å; A1053-Q1057 PolarHBondContact O-N 3.48Å
1054	A	97.1	Very high	95.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62	-42.4	174	0	0	0	0	0	111	W980 E982 A983 R1050 P1051 Q1057 I1058	W980-A1054 HydrophobicContact CE3-CB 4.11Å; W980-A1054 HydrophobicContact CH2-CB 3.78Å; W980-A1054 HydrophobicContact CZ2-CB 4.17Å; W980-A1054 HydrophobicContact CZ3-CB 3.74Å; E982-A1054 HydrophobicContact CB-CB 4.1Å; A983-A1054 HydrophobicContact CB-CB 3.88Å; R1050-A1054 PolarHBondContact O-N 3.16Å; P1051-A1054 PolarHBondContact O-N 2.91Å; A1054-Q1057 PolarHBondContact O-N 2.98Å; A1054-I1058 PolarHBondContact O-N 3.17Å; A1054-I1058 VanDerWaalsContact O-N 3.16Å
1055	R	95.5	Very high	95.6	Very high	49 Å²	49	27.4 Å²	27.4	19%	0.185	14%	0.144	C	C	.	.	H	α-helix	trans	-62.8	-46.5	174	-173.4	-174.6	-57.2	114.5	7.4	112	S595 L985 P1051 E1052 A1053 Q1057 I1058 Q1059	S595-R1055 VanDerWaalsContact CB-CZ 3.46Å; S595-R1055 VanDerWaalsContact CB-NH1 3.27Å; S595-R1055 PolarHBondContact OG-NH1 3.43Å; S595-R1055 VanDerWaalsContact OG-NH1 3.16Å; S595-R1055 PolarHBondContact OG-NH2 2.91Å; L985-R1055 HydrophobicContact CD1-CG 3.75Å; P1051-R1055 PolarHBondContact O-N 3.42Å; P1051-R1055 VanDerWaalsContact O-N 3.08Å; E1052-R1055 PolarHBondContact O-N 3.47Å; A1053-R1055 VanDerWaalsContact C-N 3.33Å; R1055-Q1057 VanDerWaalsContact C-N 3.28Å; R1055-Q1057 PolarHBondContact O-N 2.86Å; R1055-I1058 PolarHBondContact O-N 3.26Å; R1055-Q1059 WeakPolarHBondContact O-CG 3.41Å; R1055-Q1059 PolarHBondContact O-N 3.43Å
1056	E	94.3	Very high	95.6	Very high	55 Å²	55	27.6 Å²	27.6	26%	0.257	15%	0.147	S	C	.	.	H	α-helix	trans	-57.2	-42.8	175.7	177.2	178	-161.1	0	0	111.2	S584 E1052 A1053 I1058 Q1059 S1060	S584-E1056 WeakPolarHBondContact CB-OE1 3.2Å; S584-E1056 VanDerWaalsContact OG-CD 3.28Å; S584-E1056 WeakPolarHBondContact OG-CG 3.33Å; S584-E1056 PolarHBondContact OG-OE1 3.03Å; E1052-E1056 PolarHBondContact O-N 3.05Å; E1052-E1056 VanDerWaalsContact O-N 3.08Å; A1053-E1056 PolarHBondContact O-N 3.01Å; E1056-I1058 PolarHBondContact O-N 3.05Å; E1056-Q1059 PolarHBondContact O-N 3.23Å; E1056-S1060 WeakPolarHBondContact CG-OG 3.48Å; E1056-S1060 WeakPolarHBondContact O-CB 3.44Å; E1056-S1060 PolarHBondContact O-N 3.29Å; E1056-S1060 PolarHBondContact O-OG 3.48Å
1057	Q	95.6	Very high	95.6	Very high	42 Å²	42	30.1 Å²	30.1	20%	0.196	16%	0.158	C	C	.	.	H	α-helix	trans	-60.9	-41.4	178	177.6	62.8	23.8	0	0	112	W980 A1053 A1054 R1055 G1061 H1063	W980-Q1057 HydrophobicContact CZ3-CB 4.16Å; W980-Q1057 HydrophobicContact CZ3-CG 4.17Å; A1053-Q1057 WeakPolarHBondContact O-CB 3.37Å; A1053-Q1057 PolarHBondContact O-N 3.48Å; A1054-Q1057 PolarHBondContact O-N 2.98Å; R1055-Q1057 VanDerWaalsContact C-N 3.28Å; R1055-Q1057 PolarHBondContact O-N 2.86Å; Q1057-G1061 WeakPolarHBondContact O-CA 3.39Å; Q1057-G1061 PolarHBondContact O-N 2.89Å; Q1057-H1063 PolarHBondContact NE2-O 3.37Å
1058	I	95.6	Very high	95.7	Very high	9 Å²	9	30.2 Å²	30.2	5%	0.046	16%	0.157	C	C	.	.	H	α-helix	trans	-65.7	-41.2	176.3	-66.8	-67.9	0	0	0	111.9	W980 A983 L985 N986 V987 R988 A1054 R1055 E1056 P1065	W980-I1058 HydrophobicContact CE3-CD1 3.89Å; W980-I1058 HydrophobicContact CE3-CG1 3.87Å; W980-I1058 HydrophobicContact CZ3-CG1 4.44Å; A983-I1058 HydrophobicContact CB-CG1 3.85Å; L985-I1058 HydrophobicContact CB-CG1 4.5Å; L985-I1058 HydrophobicContact CB-CG2 3.95Å; L985-I1058 HydrophobicContact CD1-CB 4.33Å; L985-I1058 HydrophobicContact CD1-CG2 3.98Å; N986-I1058 VanDerWaalsContact O-CG2 3.31Å; N986-I1058 WeakPolarHBondContact O-CG2 3.28Å; V987-I1058 HydrophobicContact CB-CD1 4.43Å; V987-I1058 HydrophobicContact CG2-CD1 3.84Å; R988-I1058 HydrophobicContact CG-CG2 4.41Å; A1054-I1058 PolarHBondContact O-N 3.17Å; A1054-I1058 VanDerWaalsContact O-N 3.16Å; R1055-I1058 PolarHBondContact O-N 3.26Å; E1056-I1058 PolarHBondContact O-N 3.05Å; I1058-P1065 HydrophobicContact CD1-CG 3.63Å
1059	Q	92.8	Very high	95.9	Very high	12 Å²	12	30.3 Å²	30.3	6%	0.056	15%	0.153	C	C	.	.	H	α-helix	trans	-81.5	-34.2	-173.9	-69.6	175.3	-31.1	0	0	113.4	S585 L985 R991 R1055 E1056	S585-Q1059 WeakPolarHBondContact OG-CB 3.47Å; S585-Q1059 PolarHBondContact OG-OE1 2.92Å; L985-Q1059 HydrophobicContact CD1-CG 4.3Å; R991-Q1059 PolarHBondContact NH1-O 3.27Å; R991-Q1059 PolarHBondContact NH2-O 3.26Å; R1055-Q1059 WeakPolarHBondContact O-CG 3.41Å; R1055-Q1059 PolarHBondContact O-N 3.43Å; E1056-Q1059 PolarHBondContact O-N 3.23Å
1060	S	91.5	Very high	96	Very high	38 Å²	38	28.2 Å²	28.2	27%	0.266	15%	0.145	S	C	.	.	H	α-helix	trans	-116.4	-27.8	-170.3	76.2	0	0	0	0	113.7	R991 E1056	R991-S1060 PolarHBondContact NH2-O 2.83Å; E1056-S1060 WeakPolarHBondContact CG-OG 3.48Å; E1056-S1060 WeakPolarHBondContact O-CB 3.44Å; E1056-S1060 PolarHBondContact O-N 3.29Å; E1056-S1060 PolarHBondContact O-OG 3.48Å
1061	G	92.8	Very high	96	Very high	11 Å²	11	26.7 Å²	26.7	11%	0.113	14%	0.14	C	C	.	.			trans	-68	145.8	-177	0	0	0	0	0	113.5	R991 Q1057	R991-G1061 VanDerWaalsContact CD-O 3.25Å; R991-G1061 WeakPolarHBondContact CD-O 3.19Å; R991-G1061 PolarHBondContact NE-O 3.23Å; Q1057-G1061 WeakPolarHBondContact O-CA 3.39Å; Q1057-G1061 PolarHBondContact O-N 2.89Å
1062	A	94.6	Very high	96.1	Very high	27 Å²	27	23.6 Å²	23.6	22%	0.223	12%	0.12	C	C	.	.	S	Bend	trans	-85.3	-26.9	171.1	0	0	0	0	0	112	T992 E995	T992-A1062 VanDerWaalsContact CA-O 3.23Å; T992-A1062 WeakPolarHBondContact CA-O 2.94Å; T992-A1062 WeakPolarHBondContact CG2-O 3.46Å; E995-A1062 HydrophobicContact CG-CB 4.4Å; E995-A1062 WeakPolarHBondContact CG-O 3.07Å
1063	H	97.1	Very high	96.2	Very high	60 Å²	60	20.8 Å²	20.8	28%	0.278	11%	0.107	S	C	.	.	S	Bend	trans	-90.5	145	179.7	-60.6	89.4	0	0	0	111.7	E995 Q1057 R1069	E995-H1063 VanDerWaalsContact CD-CD2 3.48Å; E995-H1063 HydrophobicContact CG-CB 4.37Å; E995-H1063 IonicContact OE2-CD2 3.19Å; E995-H1063 PolarHBondContact OE2-CD2 3.01Å; E995-H1063 IonicContact OE2-CE1 2.91Å; E995-H1063 IonicContact OE2-NE2 3.87Å; E995-H1063 PolarHBondContact OE2-NE2 3.19Å; Q1057-H1063 PolarHBondContact NE2-O 3.37Å; H1063-R1069 PolarHBondContact CD2-NH1 2.79Å
1064	S	98.1	Very high	96.2	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.014	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-61	153.4	165.6	-68.7	0	0	0	0	111	Y975 T992 N996 R1069	Y975-S1064 VanDerWaalsContact CD1-OG 3.3Å; Y975-S1064 WeakPolarHBondContact CD1-OG 3.37Å; T992-S1064 VanDerWaalsContact CB-OG 3.27Å; T992-S1064 WeakPolarHBondContact CB-OG 3.31Å; T992-S1064 PolarHBondContact OG1-OG 3.41Å; N996-S1064 WeakPolarHBondContact OD1-CB 3.39Å; N996-S1064 PolarHBondContact OD1-OG 3.1Å; S1064-R1069 WeakPolarHBondContact O-CD 3.35Å; S1064-R1069 WeakPolarHBondContact O-CG 3.29Å
1065	P	97.5	Very high	96.2	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-54.2	147.7	173.9	-25.5	34.7	0	0	0	111.4	W980 V987 I1058 K1067 Y1068 R1069	W980-P1065 HydrophobicContact CD2-CB 3.66Å; W980-P1065 HydrophobicContact CD2-CG 3.71Å; W980-P1065 HydrophobicContact CE3-CB 3.54Å; W980-P1065 HydrophobicContact CE3-CG 3.24Å; W980-P1065 HydrophobicContact CG-CB 4.37Å; W980-P1065 HydrophobicContact CG-CG 4.3Å; W980-P1065 HydrophobicContact CH2-CB 3.87Å; W980-P1065 HydrophobicContact CH2-CG 4.35Å; W980-P1065 HydrophobicContact CZ2-CB 4.01Å; W980-P1065 HydrophobicContact CZ3-CB 3.63Å; W980-P1065 HydrophobicContact CZ3-CG 3.6Å; V987-P1065 VanDerWaalsContact CG2-CD 3.49Å; V987-P1065 HydrophobicContact CG2-CG 3.8Å; I1058-P1065 HydrophobicContact CD1-CG 3.63Å; P1065-K1067 VanDerWaalsContact C-N 3.25Å; P1065-K1067 PolarHBondContact O-N 3.3Å; P1065-K1067 VanDerWaalsContact O-N 3.13Å; P1065-Y1068 HydrophobicContact CB-CD2 3.95Å; P1065-Y1068 HydrophobicContact CG-CD2 3.97Å; P1065-Y1068 PolarHBondContact O-N 3.39Å; P1065-R1069 PolarHBondContact O-N 3.39Å
1066	P	96.5	Very high	96.3	Very high	13 Å²	13	18.2 Å²	18.2	8%	0.084	10%	0.096	C	C	.	.	H	α-helix	trans	-57.5	-36.4	-171.2	-27.8	37.3	0	0	0	114.1	Y436 R1045 N1047 Y1049 Y1068 R1069 V1070	Y436-P1066 HydrophobicContact CE2-CB 4.4Å; R1045-P1066 HydrophobicContact CB-CB 4.25Å; R1045-P1066 WeakPolarHBondContact O-CB 3.1Å; N1047-P1066 HydrophobicContact CB-CB 4.43Å; N1047-P1066 HydrophobicContact CB-CG 4.04Å; Y1049-P1066 HydrophobicContact CE2-CG 3.96Å; P1066-Y1068 VanDerWaalsContact C-N 3.34Å; P1066-Y1068 PolarHBondContact O-N 3.02Å; P1066-R1069 PolarHBondContact O-N 3.29Å; P1066-V1070 PolarHBondContact O-N 3.13Å
1067	K	96.8	Very high	96.5	Very high	53 Å²	53	16.1 Å²	16.1	23%	0.23	9%	0.086	C	C	.	.	H	α-helix	trans	-53.3	-47.6	171.6	179.6	168.7	-172.1	166.3	0	112.7	D434 Y436 P1065 V1070 I1071	D434-K1067 VanDerWaalsContact OD2-CE 3.28Å; D434-K1067 WeakPolarHBondContact OD2-CE 3.44Å; D434-K1067 IonicContact OD2-NZ 2.83Å; D434-K1067 PolarHBondContact OD2-NZ 3.44Å; Y436-K1067 HydrophobicContact CD1-CB 3.79Å; Y436-K1067 HydrophobicContact CD1-CD 4.19Å; Y436-K1067 HydrophobicContact CD1-CG 3.82Å; Y436-K1067 HydrophobicContact CD2-CB 4.35Å; Y436-K1067 HydrophobicContact CE1-CB 4Å; Y436-K1067 HydrophobicContact CG-CB 3.96Å; Y436-K1067 HydrophobicContact CG-CG 3.91Å; P1065-K1067 VanDerWaalsContact C-N 3.25Å; P1065-K1067 PolarHBondContact O-N 3.3Å; P1065-K1067 VanDerWaalsContact O-N 3.13Å; K1067-V1070 PolarHBondContact O-N 2.9Å; K1067-I1071 HydrophobicContact CD-CD1 4.25Å; K1067-I1071 VanDerWaalsContact CE-CD1 3.49Å; K1067-I1071 HydrophobicContact CG-CD1 3.68Å; K1067-I1071 HydrophobicContact CG-CG1 4.46Å; K1067-I1071 WeakPolarHBondContact O-CG1 3.33Å; K1067-I1071 PolarHBondContact O-N 3.31Å
1068	Y	98.1	Very high	96.5	Very high	22 Å²	22	17 Å²	17	9%	0.086	9%	0.09	C	C	.	.	H	α-helix	trans	-84.8	-17.1	-176.6	-58.2	-61.7	0	0	0	114	Y975 Y978 Y979 W980 V987 P1065 P1066 V1070 G1072	Y975-Y1068 WeakPolarHBondContact CE1-O 3.26Å; Y978-Y1068 AromaticContact CD1-CD1 3.63Å; Y978-Y1068 HydrophobicContact CD1-CD1 3.63Å; Y978-Y1068 AromaticContact CD1-CE1 3.76Å; Y978-Y1068 HydrophobicContact CD1-CE1 3.76Å; Y978-Y1068 AromaticContact CD2-CD1 3.66Å; Y978-Y1068 HydrophobicContact CD2-CD1 3.66Å; Y978-Y1068 HydrophobicContact CD2-CE1 4.49Å; Y978-Y1068 AromaticContact CD2-CG 3.89Å; Y978-Y1068 HydrophobicContact CD2-CG 3.89Å; Y978-Y1068 HydrophobicContact CE1-CD1 4.24Å; Y978-Y1068 HydrophobicContact CE2-CD1 4.28Å; Y978-Y1068 AromaticContact CG-CD1 3.32Å; Y978-Y1068 HydrophobicContact CG-CD1 3.32Å; Y978-Y1068 AromaticContact CG-CE1 3.72Å; Y978-Y1068 HydrophobicContact CG-CE1 3.72Å; Y978-Y1068 AromaticContact CG-CG 3.85Å; Y978-Y1068 HydrophobicContact CG-CG 3.85Å; Y979-Y1068 PolarHBondContact O-OH 3.41Å; W980-Y1068 HydrophobicContact CB-CE2 3.82Å; W980-Y1068 HydrophobicContact CG-CE2 4.02Å; V987-Y1068 HydrophobicContact CG2-CD2 3.69Å; V987-Y1068 HydrophobicContact CG2-CE2 4.22Å; V987-Y1068 HydrophobicContact CG2-CG 4.38Å; P1065-Y1068 HydrophobicContact CB-CD2 3.95Å; P1065-Y1068 HydrophobicContact CG-CD2 3.97Å; P1065-Y1068 PolarHBondContact O-N 3.39Å; P1066-Y1068 VanDerWaalsContact C-N 3.34Å; P1066-Y1068 PolarHBondContact O-N 3.02Å; Y1068-V1070 VanDerWaalsContact C-N 3.32Å; Y1068-G1072 VanDerWaalsContact O-CA 3.31Å; Y1068-G1072 WeakPolarHBondContact O-CA 3.19Å; Y1068-G1072 PolarHBondContact O-N 3.24Å
1069	R	98.4	Very high	96.5	Very high	28 Å²	28	19.1 Å²	19.1	11%	0.106	10%	0.1	C	C	.	.	H	α-helix	trans	-62	-45.8	162.5	-63.7	-174.3	72.6	167.6	7.7	109.9	H933 D999 Y1041 H1063 S1064 P1065 P1066 A1073	H933-R1069 PolarHBondContact CE1-NH2 2.99Å; D999-R1069 VanDerWaalsContact CG-NH2 3.34Å; D999-R1069 IonicContact OD1-CZ 3.6Å; D999-R1069 IonicContact OD1-NE 2.68Å; D999-R1069 PolarHBondContact OD1-NE 2.93Å; D999-R1069 IonicContact OD1-NH2 3.67Å; D999-R1069 PolarHBondContact OD1-NH2 3.39Å; D999-R1069 WeakPolarHBondContact OD2-CG 3.44Å; D999-R1069 IonicContact OD2-CZ 3.81Å; D999-R1069 IonicContact OD2-NE 2.99Å; D999-R1069 PolarHBondContact OD2-NE 3.41Å; D999-R1069 IonicContact OD2-NH2 3.02Å; D999-R1069 PolarHBondContact OD2-NH2 2.88Å; Y1041-R1069 PolarHBondContact OH-O 3.27Å; H1063-R1069 PolarHBondContact CD2-NH1 2.79Å; S1064-R1069 WeakPolarHBondContact O-CD 3.35Å; S1064-R1069 WeakPolarHBondContact O-CG 3.29Å; P1065-R1069 PolarHBondContact O-N 3.39Å; P1066-R1069 PolarHBondContact O-N 3.29Å; R1069-A1073 VanDerWaalsContact O-CB 3.28Å; R1069-A1073 WeakPolarHBondContact O-CB 3.45Å; R1069-A1073 PolarHBondContact O-N 2.85Å
1070	V	98.2	Very high	96.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66.5	-59.9	177.7	177.2	0	0	0	0	112.1	F435 Y436 Y1041 A1042 R1045 P1066 K1067 Y1068 G1072 M1074	F435-V1070 HydrophobicContact CD1-CG1 3.97Å; Y436-V1070 HydrophobicContact CD2-CB 3.94Å; Y436-V1070 HydrophobicContact CD2-CG1 4.36Å; Y436-V1070 HydrophobicContact CD2-CG2 3.82Å; Y436-V1070 HydrophobicContact CE2-CG2 4.29Å; Y1041-V1070 HydrophobicContact CE1-CG2 4.3Å; A1042-V1070 HydrophobicContact CB-CG1 3.8Å; A1042-V1070 HydrophobicContact CB-CG2 4.05Å; R1045-V1070 HydrophobicContact CB-CG2 3.89Å; R1045-V1070 HydrophobicContact CG-CG2 4.44Å; P1066-V1070 PolarHBondContact O-N 3.13Å; K1067-V1070 PolarHBondContact O-N 2.9Å; Y1068-V1070 VanDerWaalsContact C-N 3.32Å; V1070-G1072 PolarHBondContact O-N 2.74Å; V1070-M1074 HydrophobicContact CG1-CE 4.38Å; V1070-M1074 HydrophobicContact CG1-SD 3.58Å; V1070-M1074 VanDerWaalsContact CG1-SD 3.58Å; V1070-M1074 WeakPolarHBondContact O-CB 3.32Å; V1070-M1074 WeakPolarHBondContact O-CG 3.45Å; V1070-M1074 PolarHBondContact O-N 3.09Å; V1070-M1074 VanDerWaalsContact O-N 3.09Å
1071	I	98.1	Very high	97	Very high	10 Å²	10	18.1 Å²	18.1	5%	0.051	9%	0.091	C	C	.	.	H	α-helix	trans	-62.5	-46.1	-176.4	-67.1	175.2	0	0	0	111.1	Y978 K1067 S1075 M1092	Y978-I1071 HydrophobicContact CE1-CG2 4.37Å; K1067-I1071 HydrophobicContact CD-CD1 4.25Å; K1067-I1071 VanDerWaalsContact CE-CD1 3.49Å; K1067-I1071 HydrophobicContact CG-CD1 3.68Å; K1067-I1071 HydrophobicContact CG-CG1 4.46Å; K1067-I1071 WeakPolarHBondContact O-CG1 3.33Å; K1067-I1071 PolarHBondContact O-N 3.31Å; I1071-S1075 WeakPolarHBondContact O-CB 3.33Å; I1071-S1075 PolarHBondContact O-N 2.93Å; I1071-S1075 PolarHBondContact O-OG 3.08Å; I1071-M1092 HydrophobicContact CB-SD 4.24Å; I1071-M1092 HydrophobicContact CG1-SD 4.01Å; I1071-M1092 HydrophobicContact CG2-SD 3.91Å
1072	G	97.8	Very high	97.1	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.5	-46.7	-176.2	0	0	0	0	0	112.8	Q974 Y975 Y1068 V1070 S1075 N1076	Q974-G1072 PolarHBondContact NE2-O 3.28Å; Y975-G1072 WeakPolarHBondContact OH-CA 2.91Å; Y1068-G1072 VanDerWaalsContact O-CA 3.31Å; Y1068-G1072 WeakPolarHBondContact O-CA 3.19Å; Y1068-G1072 PolarHBondContact O-N 3.24Å; V1070-G1072 PolarHBondContact O-N 2.74Å; G1072-S1075 PolarHBondContact O-OG 3.18Å; G1072-N1076 PolarHBondContact O-ND2 3.4Å
1073	A	97.7	Very high	97.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-71.4	-43.5	-179.4	0	0	0	0	0	112.9	D999 I1003 Y1041 R1069	D999-A1073 HydrophobicContact CB-CB 4.32Å; I1003-A1073 HydrophobicContact CG2-CB 4.4Å; Y1041-A1073 HydrophobicContact CE1-CB 4.41Å; Y1041-A1073 WeakPolarHBondContact OH-CB 3.36Å; R1069-A1073 VanDerWaalsContact O-CB 3.28Å; R1069-A1073 WeakPolarHBondContact O-CB 3.45Å; R1069-A1073 PolarHBondContact O-N 2.85Å
1074	M	96.5	Very high	97.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-73.4	-38	-176.9	-73.4	170.5	162.5	0	0	113.3	F435 I1003 F1038 Y1041 A1042 V1070 N1076 Y1077 F1080 M1092	F435-M1074 HydrophobicContact CB-SD 4.48Å; F435-M1074 HydrophobicContact CD1-CE 3.75Å; F435-M1074 HydrophobicContact CD1-SD 3.21Å; F435-M1074 WeakPolarHBondContact CD1-SD 3.46Å; F435-M1074 HydrophobicContact CE1-CE 3.44Å; F435-M1074 VanDerWaalsContact CE1-CE 3.44Å; F435-M1074 HydrophobicContact CE1-SD 3.58Å; F435-M1074 VanDerWaalsContact CE1-SD 3.58Å; F435-M1074 HydrophobicContact CG-SD 4.01Å; F435-M1074 HydrophobicContact CZ-CE 4.4Å; I1003-M1074 HydrophobicContact CD1-CE 4.32Å; I1003-M1074 HydrophobicContact CD1-CG 3.98Å; F1038-M1074 HydrophobicContact CB-CE 3.87Å; F1038-M1074 HydrophobicContact CD1-CE 4.03Å; F1038-M1074 HydrophobicContact CG-CE 4.42Å; F1038-M1074 WeakPolarHBondContact O-CE 2.85Å; Y1041-M1074 HydrophobicContact CD1-CE 3.39Å; Y1041-M1074 HydrophobicContact CD1-SD 4.34Å; Y1041-M1074 HydrophobicContact CE1-CE 4.18Å; Y1041-M1074 HydrophobicContact CE1-CG 4.47Å; Y1041-M1074 HydrophobicContact CG-CE 4.21Å; A1042-M1074 HydrophobicContact CB-CE 4.41Å; V1070-M1074 HydrophobicContact CG1-CE 4.38Å; V1070-M1074 HydrophobicContact CG1-SD 3.58Å; V1070-M1074 VanDerWaalsContact CG1-SD 3.58Å; V1070-M1074 WeakPolarHBondContact O-CB 3.32Å; V1070-M1074 WeakPolarHBondContact O-CG 3.45Å; V1070-M1074 PolarHBondContact O-N 3.09Å; V1070-M1074 VanDerWaalsContact O-N 3.09Å; M1074-N1076 PolarHBondContact O-N 3Å; M1074-Y1077 PolarHBondContact O-N 3.48Å; M1074-F1080 HydrophobicContact CB-CB 4.5Å; M1074-F1080 HydrophobicContact CB-CD1 4.13Å; M1074-F1080 HydrophobicContact CB-CD2 4.01Å; M1074-F1080 HydrophobicContact CB-CE1 4.45Å; M1074-F1080 HydrophobicContact CB-CE2 4.29Å; M1074-F1080 HydrophobicContact CB-CG 3.92Å; M1074-F1080 HydrophobicContact CE-CD2 4.43Å; M1074-F1080 HydrophobicContact CE-CE2 4.48Å; M1074-F1080 HydrophobicContact CG-CD2 3.99Å; M1074-F1080 HydrophobicContact CG-CE2 4.33Å; M1074-F1080 HydrophobicContact CG-CG 4.31Å; M1074-F1080 HydrophobicContact SD-CD2 4.06Å; M1074-F1080 HydrophobicContact SD-CE2 3.87Å; M1074-M1092 HydrophobicContact CB-CE 3.61Å
1075	S	97.1	Very high	97	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.9	-22.6	179.7	63.6	0	0	0	0	113.2	I1071 G1072 Q1081 M1092 R1094	I1071-S1075 WeakPolarHBondContact O-CB 3.33Å; I1071-S1075 PolarHBondContact O-N 2.93Å; I1071-S1075 PolarHBondContact O-OG 3.08Å; G1072-S1075 PolarHBondContact O-OG 3.18Å; S1075-Q1081 PolarHBondContact O-NE2 3.24Å; S1075-M1092 WeakPolarHBondContact CA-O 3.23Å; S1075-R1094 PolarHBondContact O-N 3.32Å; S1075-R1094 WeakPolarHBondContact OG-CD 3.16Å
1076	N	97.9	Very high	96.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-3.3	173.2	-72.9	-27.7	0	0	0	114	Q974 N1000 R1004 G1072 M1074 R1094 S1098 C1099	Q974-N1076 PolarHBondContact NE2-ND2 3.29Å; Q974-N1076 PolarHBondContact NE2-OD1 2.92Å; Q974-N1076 PolarHBondContact OE1-ND2 2.85Å; Q974-N1076 PolarHBondContact OE1-OD1 3.41Å; N1000-N1076 WeakPolarHBondContact OD1-CB 3.37Å; N1000-N1076 PolarHBondContact OD1-ND2 3.17Å; R1004-N1076 PolarHBondContact NH2-O 3.43Å; G1072-N1076 PolarHBondContact O-ND2 3.4Å; M1074-N1076 PolarHBondContact O-N 3Å; N1076-R1094 WeakPolarHBondContact OD1-CD 3.33Å; N1076-R1094 PolarHBondContact OD1-NE 2.91Å; N1076-S1098 WeakPolarHBondContact OD1-CA 3.23Å; N1076-C1099 PolarHBondContact OD1-N 3.31Å
1077	Y	97.4	Very high	96.7	Very high	11 Å²	11	29.6 Å²	29.6	4%	0.043	15%	0.154	C	C	.	.			trans	-113.2	114.1	-169.7	-167.5	-163.4	0	0	0	113.5	I1003 R1004 F1007 F1038 M1074 E1079 F1080 Q1081	I1003-Y1077 HydrophobicContact CG1-CD1 4.47Å; I1003-Y1077 HydrophobicContact CG2-CD1 4.31Å; R1004-Y1077 HydrophobicContact CG-CD1 4.39Å; R1004-Y1077 HydrophobicContact CG-CD2 3.93Å; R1004-Y1077 HydrophobicContact CG-CE1 4.28Å; R1004-Y1077 HydrophobicContact CG-CE2 3.82Å; R1004-Y1077 HydrophobicContact CG-CG 4.23Å; F1007-Y1077 HydrophobicContact CB-CE1 3.94Å; F1007-Y1077 WeakPolarHBondContact CB-OH 3.21Å; F1007-Y1077 HydrophobicContact CD1-CE1 4.35Å; F1007-Y1077 WeakPolarHBondContact CD1-OH 3.41Å; F1007-Y1077 HydrophobicContact CG-CE1 4.21Å; F1038-Y1077 AromaticContact CE1-CD1 3.71Å; F1038-Y1077 HydrophobicContact CE1-CD1 3.71Å; F1038-Y1077 AromaticContact CE1-CE1 3.86Å; F1038-Y1077 HydrophobicContact CE1-CE1 3.86Å; F1038-Y1077 AromaticContact CZ-CD1 3.99Å; F1038-Y1077 HydrophobicContact CZ-CD1 3.99Å; F1038-Y1077 AromaticContact CZ-CE1 3.9Å; F1038-Y1077 HydrophobicContact CZ-CE1 3.9Å; M1074-Y1077 PolarHBondContact O-N 3.48Å; Y1077-E1079 VanDerWaalsContact C-N 3.29Å; Y1077-E1079 HydrophobicContact CD1-CB 4.47Å; Y1077-E1079 HydrophobicContact CD2-CB 4.22Å; Y1077-E1079 HydrophobicContact CD2-CG 4.45Å; Y1077-E1079 HydrophobicContact CE1-CB 3.99Å; Y1077-E1079 HydrophobicContact CE2-CB 3.71Å; Y1077-E1079 HydrophobicContact CE2-CG 3.62Å; Y1077-E1079 PolarHBondContact O-N 2.9Å; Y1077-F1080 WeakPolarHBondContact O-CB 3.37Å; Y1077-F1080 PolarHBondContact O-N 3.34Å; Y1077-F1080 VanDerWaalsContact O-N 3.12Å; Y1077-Q1081 PolarHBondContact O-N 3.31Å
1078	E	95.9	Very high	96.4	Very high	59 Å²	59	35.4 Å²	35.4	28%	0.276	18%	0.182	S	C	.	.	H	α-helix	trans	-58.6	-33.8	-179.4	61.4	-79.2	-177.8	0	0	114.1	R1004 F1080 Q1081 K1082	R1004-E1078 IonicContact CZ-OE1 3.08Å; R1004-E1078 IonicContact CZ-OE2 3.33Å; R1004-E1078 IonicContact NH1-OE1 3.87Å; R1004-E1078 PolarHBondContact NH1-OE1 3.37Å; R1004-E1078 IonicContact NH1-OE2 2.65Å; R1004-E1078 PolarHBondContact NH1-OE2 3.25Å; R1004-E1078 VanDerWaalsContact NH1-OE2 3.1Å; R1004-E1078 IonicContact NH2-OE1 3.75Å; R1004-E1078 IonicContact NH2-OE2 3.82Å; R1004-E1078 PolarHBondContact NH2-OE2 3.19Å; E1078-F1080 VanDerWaalsContact C-N 3.34Å; E1078-Q1081 WeakPolarHBondContact O-CB 3.38Å; E1078-Q1081 PolarHBondContact O-N 3.23Å; E1078-K1082 WeakPolarHBondContact O-CG 3.46Å; E1078-K1082 PolarHBondContact O-N 2.82Å
1079	E	96.9	Very high	95.8	Very high	55 Å²	55	39.9 Å²	39.9	26%	0.257	22%	0.217	S	C	.	.	H	α-helix	trans	-72.4	-29.7	178.8	-64.7	-57.4	133.4	0	0	112.3	F1007 F1038 Y1077 K1082 A1083	F1007-E1079 HydrophobicContact CD1-CB 3.92Å; F1007-E1079 HydrophobicContact CD1-CG 3.97Å; F1007-E1079 HydrophobicContact CE1-CB 3.58Å; F1007-E1079 HydrophobicContact CE1-CG 3.71Å; F1007-E1079 HydrophobicContact CZ-CB 4.19Å; F1038-E1079 HydrophobicContact CZ-CB 4.19Å; Y1077-E1079 VanDerWaalsContact C-N 3.29Å; Y1077-E1079 HydrophobicContact CD1-CB 4.47Å; Y1077-E1079 HydrophobicContact CD2-CB 4.22Å; Y1077-E1079 HydrophobicContact CD2-CG 4.45Å; Y1077-E1079 HydrophobicContact CE1-CB 3.99Å; Y1077-E1079 HydrophobicContact CE2-CB 3.71Å; Y1077-E1079 HydrophobicContact CE2-CG 3.62Å; Y1077-E1079 PolarHBondContact O-N 2.9Å; E1079-K1082 IonicContact OE1-NZ 2.81Å; E1079-K1082 PolarHBondContact OE1-NZ 3.15Å; E1079-A1083 VanDerWaalsContact O-CB 3.29Å; E1079-A1083 WeakPolarHBondContact O-CB 3.41Å; E1079-A1083 PolarHBondContact O-N 3.16Å
1080	F	97.8	Very high	95.5	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.7	-46.9	170.6	171.3	-91.1	0	0	0	110.5	F435 F1038 M1074 Y1077 E1078 K1082 A1083 F1084 M1092	F435-F1080 HydrophobicContact CB-CE2 4.49Å; F435-F1080 HydrophobicContact CB-CZ 4.04Å; F435-F1080 HydrophobicContact CD1-CE2 4.01Å; F435-F1080 HydrophobicContact CD1-CZ 4.4Å; F435-F1080 AromaticContact CD2-CE2 3.52Å; F435-F1080 HydrophobicContact CD2-CE2 3.52Å; F435-F1080 AromaticContact CD2-CZ 3.46Å; F435-F1080 HydrophobicContact CD2-CZ 3.46Å; F435-F1080 VanDerWaalsContact CD2-CZ 3.46Å; F435-F1080 HydrophobicContact CE1-CE2 4.04Å; F435-F1080 AromaticContact CE2-CE2 3.57Å; F435-F1080 HydrophobicContact CE2-CE2 3.57Å; F435-F1080 AromaticContact CE2-CZ 3.95Å; F435-F1080 HydrophobicContact CE2-CZ 3.95Å; F435-F1080 AromaticContact CG-CE2 3.73Å; F435-F1080 HydrophobicContact CG-CE2 3.73Å; F435-F1080 AromaticContact CG-CZ 3.7Å; F435-F1080 HydrophobicContact CG-CZ 3.7Å; F435-F1080 AromaticContact CZ-CE2 3.82Å; F435-F1080 HydrophobicContact CZ-CE2 3.82Å; F1038-F1080 HydrophobicContact CB-CD2 4.07Å; F1038-F1080 HydrophobicContact CB-CE2 4.44Å; F1038-F1080 HydrophobicContact CD1-CB 4.18Å; F1038-F1080 AromaticContact CD1-CD2 3.85Å; F1038-F1080 HydrophobicContact CD1-CD2 3.85Å; F1038-F1080 HydrophobicContact CD2-CD2 4.16Å; F1038-F1080 HydrophobicContact CE1-CB 3.84Å; F1038-F1080 HydrophobicContact CE1-CD2 4.38Å; F1038-F1080 HydrophobicContact CE2-CB 4.26Å; F1038-F1080 AromaticContact CG-CD2 3.75Å; F1038-F1080 HydrophobicContact CG-CD2 3.75Å; F1038-F1080 HydrophobicContact CZ-CB 3.89Å; M1074-F1080 HydrophobicContact CB-CB 4.5Å; M1074-F1080 HydrophobicContact CB-CD1 4.13Å; M1074-F1080 HydrophobicContact CB-CD2 4.01Å; M1074-F1080 HydrophobicContact CB-CE1 4.45Å; M1074-F1080 HydrophobicContact CB-CE2 4.29Å; M1074-F1080 HydrophobicContact CB-CG 3.92Å; M1074-F1080 HydrophobicContact CE-CD2 4.43Å; M1074-F1080 HydrophobicContact CE-CE2 4.48Å; M1074-F1080 HydrophobicContact CG-CD2 3.99Å; M1074-F1080 HydrophobicContact CG-CE2 4.33Å; M1074-F1080 HydrophobicContact CG-CG 4.31Å; M1074-F1080 HydrophobicContact SD-CD2 4.06Å; M1074-F1080 HydrophobicContact SD-CE2 3.87Å; Y1077-F1080 WeakPolarHBondContact O-CB 3.37Å; Y1077-F1080 PolarHBondContact O-N 3.34Å; Y1077-F1080 VanDerWaalsContact O-N 3.12Å; E1078-F1080 VanDerWaalsContact C-N 3.34Å; F1080-K1082 VanDerWaalsContact C-N 3.28Å; F1080-K1082 PolarHBondContact O-N 3.41Å; F1080-A1083 PolarHBondContact O-N 3.21Å; F1080-A1083 VanDerWaalsContact O-N 3.14Å; F1080-F1084 AromaticContact CD2-CD2 3.85Å; F1080-F1084 HydrophobicContact CD2-CD2 3.85Å; F1080-F1084 HydrophobicContact CD2-CE2 4.09Å; F1080-F1084 AromaticContact CE2-CD2 3.52Å; F1080-F1084 HydrophobicContact CE2-CD2 3.52Å; F1080-F1084 AromaticContact CE2-CE2 3.75Å; F1080-F1084 HydrophobicContact CE2-CE2 3.75Å; F1080-F1084 HydrophobicContact CE2-CG 4.36Å; F1080-F1084 AromaticContact CZ-CD2 3.99Å; F1080-F1084 HydrophobicContact CZ-CD2 3.99Å; F1080-F1084 HydrophobicContact CZ-CG 4.43Å; F1080-F1084 PolarHBondContact O-N 3.08Å; F1080-F1084 VanDerWaalsContact O-N 3.08Å; F1080-M1092 HydrophobicContact CE1-CB 3.78Å; F1080-M1092 HydrophobicContact CE1-CE 3.87Å; F1080-M1092 HydrophobicContact CE1-CG 4.47Å; F1080-M1092 HydrophobicContact CZ-CB 4.48Å; F1080-M1092 HydrophobicContact CZ-CE 3.95Å
1081	Q	95.7	Very high	95.3	Very high	29 Å²	29	43.6 Å²	43.6	14%	0.136	24%	0.243	C	C	.	.	H	α-helix	trans	-58.3	-41.4	178.6	-60.4	163.6	11	0	0	111.2	S1075 Y1077 E1078 S1085 C1086 N1093	S1075-Q1081 PolarHBondContact O-NE2 3.24Å; Y1077-Q1081 PolarHBondContact O-N 3.31Å; E1078-Q1081 WeakPolarHBondContact O-CB 3.38Å; E1078-Q1081 PolarHBondContact O-N 3.23Å; Q1081-S1085 CarbonylContact O-C 3.47Å; Q1081-S1085 VanDerWaalsContact O-CA 3.29Å; Q1081-S1085 WeakPolarHBondContact O-CA 3.25Å; Q1081-S1085 PolarHBondContact O-N 2.99Å; Q1081-C1086 PolarHBondContact O-N 2.95Å; Q1081-N1093 VanDerWaalsContact CD-CG 3.48Å; Q1081-N1093 HydrophobicContact CG-CB 4.1Å; Q1081-N1093 PolarHBondContact NE2-OD1 3.12Å; Q1081-N1093 PolarHBondContact OE1-OD1 2.98Å
1082	K	95.6	Very high	95.2	Very high	133 Å²	133	43.1 Å²	43.1	58%	0.578	24%	0.24	S	C	*	.	H	α-helix	trans	-66.4	-46	174.5	-68.8	171.6	-168.8	170.7	0	112.2	E1078 E1079 F1080 F1084 S1085	E1078-K1082 WeakPolarHBondContact O-CG 3.46Å; E1078-K1082 PolarHBondContact O-N 2.82Å; E1079-K1082 IonicContact OE1-NZ 2.81Å; E1079-K1082 PolarHBondContact OE1-NZ 3.15Å; F1080-K1082 VanDerWaalsContact C-N 3.28Å; F1080-K1082 PolarHBondContact O-N 3.41Å; K1082-F1084 VanDerWaalsContact C-N 3.28Å; K1082-F1084 PolarHBondContact O-N 3.31Å; K1082-S1085 PolarHBondContact O-N 3.18Å
1083	A	96.1	Very high	95.1	Very high	15 Å²	15	43.9 Å²	43.9	12%	0.124	24%	0.244	C	C	.	.	H	α-helix	trans	-62.5	-33.6	-176.4	0	0	0	0	0	113	N1034 Q1035 F1038 E1079 F1080	N1034-A1083 HydrophobicContact CB-CB 4.49Å; Q1035-A1083 HydrophobicContact CG-CB 4.25Å; Q1035-A1083 WeakPolarHBondContact CG-O 3.45Å; Q1035-A1083 PolarHBondContact NE2-O 2.71Å; F1038-A1083 HydrophobicContact CD2-CB 3.88Å; F1038-A1083 HydrophobicContact CE2-CB 3.73Å; E1079-A1083 VanDerWaalsContact O-CB 3.29Å; E1079-A1083 WeakPolarHBondContact O-CB 3.41Å; E1079-A1083 PolarHBondContact O-N 3.16Å; F1080-A1083 PolarHBondContact O-N 3.21Å; F1080-A1083 VanDerWaalsContact O-N 3.14Å
1084	F	95.5	Very high	95	Very high	21 Å²	21	46.8 Å²	46.8	9%	0.092	26%	0.255	C	S	.	.	H	α-helix	trans	-106.7	4	178.6	-71.3	-86.7	0	0	0	114.1	P431 F435 F438 L1031 Q1035 F1038 F1080 K1082 C1086	P431-F1084 HydrophobicContact CB-CD1 3.78Å; P431-F1084 HydrophobicContact CB-CE1 4.24Å; P431-F1084 HydrophobicContact CB-CG 4.39Å; P431-F1084 HydrophobicContact CG-CD1 3.89Å; F435-F1084 HydrophobicContact CE2-CD1 4.2Å; F435-F1084 HydrophobicContact CE2-CD2 4.14Å; F435-F1084 AromaticContact CE2-CE1 3.71Å; F435-F1084 HydrophobicContact CE2-CE1 3.71Å; F435-F1084 AromaticContact CE2-CE2 3.64Å; F435-F1084 HydrophobicContact CE2-CE2 3.64Å; F435-F1084 HydrophobicContact CE2-CG 4.4Å; F435-F1084 AromaticContact CE2-CZ 3.4Å; F435-F1084 HydrophobicContact CE2-CZ 3.4Å; F435-F1084 HydrophobicContact CZ-CE1 4.37Å; F435-F1084 AromaticContact CZ-CE2 3.83Å; F435-F1084 HydrophobicContact CZ-CE2 3.83Å; F435-F1084 AromaticContact CZ-CZ 3.65Å; F435-F1084 HydrophobicContact CZ-CZ 3.65Å; F438-F1084 HydrophobicContact CE1-CE1 4.29Å; L1031-F1084 HydrophobicContact CD2-CE1 4.47Å; Q1035-F1084 HydrophobicContact CB-CE1 4.1Å; Q1035-F1084 HydrophobicContact CB-CE2 4.09Å; Q1035-F1084 HydrophobicContact CB-CZ 3.59Å; Q1035-F1084 HydrophobicContact CG-CD1 4.38Å; Q1035-F1084 HydrophobicContact CG-CD2 4.41Å; Q1035-F1084 HydrophobicContact CG-CE1 3.96Å; Q1035-F1084 HydrophobicContact CG-CE2 3.99Å; Q1035-F1084 HydrophobicContact CG-CZ 3.74Å; F1038-F1084 HydrophobicContact CB-CE2 3.87Å; F1038-F1084 HydrophobicContact CD2-CE2 4.12Å; F1038-F1084 HydrophobicContact CG-CE2 4.34Å; F1080-F1084 AromaticContact CD2-CD2 3.85Å; F1080-F1084 HydrophobicContact CD2-CD2 3.85Å; F1080-F1084 HydrophobicContact CD2-CE2 4.09Å; F1080-F1084 AromaticContact CE2-CD2 3.52Å; F1080-F1084 HydrophobicContact CE2-CD2 3.52Å; F1080-F1084 AromaticContact CE2-CE2 3.75Å; F1080-F1084 HydrophobicContact CE2-CE2 3.75Å; F1080-F1084 HydrophobicContact CE2-CG 4.36Å; F1080-F1084 AromaticContact CZ-CD2 3.99Å; F1080-F1084 HydrophobicContact CZ-CD2 3.99Å; F1080-F1084 HydrophobicContact CZ-CG 4.43Å; F1080-F1084 PolarHBondContact O-N 3.08Å; F1080-F1084 VanDerWaalsContact O-N 3.08Å; K1082-F1084 VanDerWaalsContact C-N 3.28Å; K1082-F1084 PolarHBondContact O-N 3.31Å; F1084-C1086 VanDerWaalsContact C-N 3.29Å; F1084-C1086 PolarHBondContact O-N 2.97Å
1085	S	95.8	Very high	94.8	Very high	105 Å²	105	48.4 Å²	48.4	73%	0.734	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	41.9	-179	-58.5	0	0	0	0	113.6	Q1081 K1082	Q1081-S1085 CarbonylContact O-C 3.47Å; Q1081-S1085 VanDerWaalsContact O-CA 3.29Å; Q1081-S1085 WeakPolarHBondContact O-CA 3.25Å; Q1081-S1085 PolarHBondContact O-N 2.99Å; K1082-S1085 PolarHBondContact O-N 3.18Å
1086	C	94.6	Very high	94.4	Very high	10 Å²	10	53.8 Å²	53.8	7%	0.068	32%	0.317	C	S	.	.			trans	-73.3	125.8	-175	-63.1	0	0	0	0	112.8	C432 Q1081 F1084 N1093	C432-C1086 WeakPolarHBondContact CA-SG 3.47Å; C432-C1086 HydrophobicContact CB-CB 3.66Å; C432-C1086 WeakPolarHBondContact CB-SG 3.37Å; C432-C1086 WeakPolarHBondContact SG-CA 3.05Å; C432-C1086 WeakPolarHBondContact SG-CB 3.29Å; C432-C1086 CovalentContact SG-SG 2.05Å; C432-C1086 PolarHBondContact SG-SG 3.42Å; Q1081-C1086 PolarHBondContact O-N 2.95Å; F1084-C1086 VanDerWaalsContact C-N 3.29Å; F1084-C1086 PolarHBondContact O-N 2.97Å; C1086-N1093 HydrophobicContact CB-CB 4.29Å; C1086-N1093 PolarHBondContact O-ND2 2.69Å
1087	P	93.6	Very high	94.2	Very high	71 Å²	71	60.3 Å²	60.3	46%	0.461	35%	0.347	S	S	.	.			trans	-68.9	154.8	-178.9	28.4	-32	0	0	0	111.1	S1089 S1090 N1093	P1087-S1089 PolarHBondContact O-N 3.39Å; P1087-S1090 WeakPolarHBondContact O-CB 3.43Å; P1087-S1090 PolarHBondContact O-N 3.35Å; P1087-S1090 PolarHBondContact O-OG 2.84Å; P1087-N1093 WeakPolarHBondContact O-CB 3.43Å
1088	Q	89.2	Confident	94.1	Very high	175 Å²	175	61.3 Å²	61.3	82%	0.818	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-18.2	-178.4	-70.7	-176.1	-10.7	0	0	114.4
1089	S	85.8	Confident	94.2	Very high	115 Å²	115	58.6 Å²	58.6	80%	0.804	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-7	177.1	57.7	0	0	0	0	113.9	P1087	P1087-S1089 PolarHBondContact O-N 3.39Å
1090	S	92.9	Very high	94.1	Very high	11 Å²	11	59.2 Å²	59.2	8%	0.077	34%	0.343	C	S	.	.	S	Bend	trans	-82	155.2	-175.3	87.9	0	0	0	0	112.3	C432 P1087 M1092 N1093	C432-S1090 WeakPolarHBondContact O-CB 3.15Å; C432-S1090 PolarHBondContact O-OG 3.44Å; P1087-S1090 WeakPolarHBondContact O-CB 3.43Å; P1087-S1090 PolarHBondContact O-N 3.35Å; P1087-S1090 PolarHBondContact O-OG 2.84Å; S1090-M1092 VanDerWaalsContact C-N 3.25Å; S1090-M1092 PolarHBondContact O-N 2.84Å; S1090-N1093 PolarHBondContact O-N 3.48Å; S1090-N1093 VanDerWaalsContact O-N 3.08Å
1091	V	92.9	Very high	94	Very high	96 Å²	96	59.4 Å²	59.4	58%	0.582	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-36.4	-178.8	178.4	0	0	0	0	111.6	C432 D433 N1093	C432-V1091 PolarHBondContact O-N 3.17Å; D433-V1091 WeakPolarHBondContact O-CB 3.46Å; V1091-N1093 PolarHBondContact O-N 2.85Å
1092	M	96.9	Very high	94	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	6.6	179.2	-59.5	-65.2	-57.2	0	0	114	C432 F435 I1071 M1074 S1075 F1080 S1090	C432-M1092 VanDerWaalsContact O-CB 3.25Å; C432-M1092 WeakPolarHBondContact O-CB 3.13Å; C432-M1092 VanDerWaalsContact O-CG 3.29Å; C432-M1092 WeakPolarHBondContact O-CG 3.41Å; C432-M1092 PolarHBondContact O-N 3.45Å; F435-M1092 HydrophobicContact CB-CE 3.58Å; F435-M1092 HydrophobicContact CB-CG 4.36Å; F435-M1092 HydrophobicContact CB-SD 4.07Å; I1071-M1092 HydrophobicContact CB-SD 4.24Å; I1071-M1092 HydrophobicContact CG1-SD 4.01Å; I1071-M1092 HydrophobicContact CG2-SD 3.91Å; M1074-M1092 HydrophobicContact CB-CE 3.61Å; S1075-M1092 WeakPolarHBondContact CA-O 3.23Å; F1080-M1092 HydrophobicContact CE1-CB 3.78Å; F1080-M1092 HydrophobicContact CE1-CE 3.87Å; F1080-M1092 HydrophobicContact CE1-CG 4.47Å; F1080-M1092 HydrophobicContact CZ-CB 4.48Å; F1080-M1092 HydrophobicContact CZ-CE 3.95Å; S1090-M1092 VanDerWaalsContact C-N 3.25Å; S1090-M1092 PolarHBondContact O-N 2.84Å
1093	N	96.5	Very high	93.9	Very high	15 Å²	15	54.6 Å²	54.6	8%	0.08	33%	0.327	C	S	.	.			trans	-126.1	95.9	173	-172.8	-15.2	0	0	0	110.7	Q1081 C1086 P1087 S1090 V1091 G1095	Q1081-N1093 VanDerWaalsContact CD-CG 3.48Å; Q1081-N1093 HydrophobicContact CG-CB 4.1Å; Q1081-N1093 PolarHBondContact NE2-OD1 3.12Å; Q1081-N1093 PolarHBondContact OE1-OD1 2.98Å; C1086-N1093 HydrophobicContact CB-CB 4.29Å; C1086-N1093 PolarHBondContact O-ND2 2.69Å; P1087-N1093 WeakPolarHBondContact O-CB 3.43Å; S1090-N1093 PolarHBondContact O-N 3.48Å; S1090-N1093 VanDerWaalsContact O-N 3.08Å; V1091-N1093 PolarHBondContact O-N 2.85Å; N1093-G1095 VanDerWaalsContact C-N 3.26Å; N1093-G1095 PolarHBondContact O-N 3.22Å; N1093-G1095 PolarHBondContact OD1-N 3.28Å
1094	R	94.2	Very high	93.8	Very high	61 Å²	61	56.7 Å²	56.7	23%	0.23	34%	0.338	C	S	.	.			trans	-79.4	-6	178.8	-67.1	176.1	62.5	81.4	2.6	113.6	S1075 N1076 A1096 Q1097	S1075-R1094 PolarHBondContact O-N 3.32Å; S1075-R1094 WeakPolarHBondContact OG-CD 3.16Å; N1076-R1094 WeakPolarHBondContact OD1-CD 3.33Å; N1076-R1094 PolarHBondContact OD1-NE 2.91Å; R1094-A1096 PolarHBondContact O-N 3.41Å; R1094-Q1097 HydrophobicContact CB-CB 4.41Å; R1094-Q1097 PolarHBondContact NE-O 2.98Å; R1094-Q1097 PolarHBondContact NH2-O 2.8Å; R1094-Q1097 VanDerWaalsContact NH2-O 3.13Å; R1094-Q1097 WeakPolarHBondContact O-CA 3.3Å; R1094-Q1097 WeakPolarHBondContact O-CB 3.44Å; R1094-Q1097 PolarHBondContact O-N 3.26Å
1095	G	91.9	Very high	93.7	Very high	34 Å²	34	58.7 Å²	58.7	35%	0.351	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	47.2	-122.3	-179.5	0	0	0	0	0	112.5	N1093 Q1097 S1098	N1093-G1095 VanDerWaalsContact C-N 3.26Å; N1093-G1095 PolarHBondContact O-N 3.22Å; N1093-G1095 PolarHBondContact OD1-N 3.28Å; G1095-Q1097 PolarHBondContact O-N 2.78Å; G1095-S1098 VanDerWaalsContact O-CB 3.29Å; G1095-S1098 WeakPolarHBondContact O-CB 3.39Å; G1095-S1098 PolarHBondContact O-N 3.25Å; G1095-S1098 PolarHBondContact O-OG 3.29Å
1096	A	89.9	Confident	93.6	Very high	114 Å²	114	55.9 Å²	55.9	94%	0.942	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-67.1	-16.2	179.1	0	0	0	0	0	114.7	R1094 S1098	R1094-A1096 PolarHBondContact O-N 3.41Å; A1096-S1098 VanDerWaalsContact C-N 3.29Å
1097	Q	93.3	Very high	93.5	Very high	136 Å²	136	58.8 Å²	58.8	64%	0.636	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-89.1	6.6	175.9	-58.4	-178.3	-22.8	0	0	113	R1094 G1095 C1099	R1094-Q1097 HydrophobicContact CB-CB 4.41Å; R1094-Q1097 PolarHBondContact NE-O 2.98Å; R1094-Q1097 PolarHBondContact NH2-O 2.8Å; R1094-Q1097 VanDerWaalsContact NH2-O 3.13Å; R1094-Q1097 WeakPolarHBondContact O-CA 3.3Å; R1094-Q1097 WeakPolarHBondContact O-CB 3.44Å; R1094-Q1097 PolarHBondContact O-N 3.26Å; G1095-Q1097 PolarHBondContact O-N 2.78Å; Q1097-C1099 PolarHBondContact O-N 3.32Å
1098	S	95.6	Very high	93.5	Very high	33 Å²	33	58 Å²	58	23%	0.231	34%	0.337	C	S	.	.			trans	-64.7	127.4	176.4	-59	0	0	0	0	110.3	N1076 G1095 A1096	N1076-S1098 WeakPolarHBondContact OD1-CA 3.23Å; G1095-S1098 VanDerWaalsContact O-CB 3.29Å; G1095-S1098 WeakPolarHBondContact O-CB 3.39Å; G1095-S1098 PolarHBondContact O-N 3.25Å; G1095-S1098 PolarHBondContact O-OG 3.29Å; A1096-S1098 VanDerWaalsContact C-N 3.29Å
1099	C	97	Very high	93.8	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.007	30%	0.303	C	S	.	.			trans	-84.3	128	176.3	-57.1	0	0	0	0	110.4	C970 M971 Q974 N1076 Q1097	C970-C1099 HydrophobicContact CB-CB 3.83Å; C970-C1099 WeakPolarHBondContact CB-SG 3.47Å; C970-C1099 PolarHBondContact O-SG 3.48Å; C970-C1099 WeakPolarHBondContact SG-CA 3.49Å; C970-C1099 WeakPolarHBondContact SG-CB 3.28Å; C970-C1099 CovalentContact SG-SG 2.05Å; C970-C1099 PolarHBondContact SG-SG 3.31Å; M971-C1099 HydrophobicContact CE-CB 4.36Å; M971-C1099 HydrophobicContact CG-CB 3.64Å; Q974-C1099 PolarHBondContact OE1-SG 3.08Å; N1076-C1099 PolarHBondContact OD1-N 3.31Å; Q1097-C1099 PolarHBondContact O-N 3.32Å
1100	R	95.3	Very high	94.5	Very high	69 Å²	69	44.6 Å²	44.6	26%	0.26	27%	0.265	S	S	.	.			trans	-138.1	122.5	178.3	-174.2	176.1	178.1	178.8	-2.9	111.2	E806 K967 W1102	E806-R1100 IonicContact OE2-CZ 2.71Å; E806-R1100 IonicContact OE2-NH1 2.92Å; E806-R1100 PolarHBondContact OE2-NH1 3.33Å; E806-R1100 IonicContact OE2-NH2 3.39Å; E806-R1100 PolarHBondContact OE2-NH2 3.15Å; K967-R1100 WeakPolarHBondContact CD-O 3.28Å; R1100-W1102 PolarHBondContact NE-O 3.28Å
1101	V	96.4	Very high	94.6	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.018	28%	0.28	C	S	.	.			trans	-105.4	-65.1	172.8	-179.7	0	0	0	0	109.4	W809 F964 K967 T968 M971	W809-V1101 HydrophobicContact CZ2-CG1 4.1Å; W809-V1101 WeakPolarHBondContact CZ2-O 3.33Å; W809-V1101 PolarHBondContact NE1-O 3.37Å; F964-V1101 HydrophobicContact CD2-CG1 3.87Å; F964-V1101 HydrophobicContact CE2-CG1 3.65Å; K967-V1101 HydrophobicContact CB-CG2 4.05Å; T968-V1101 HydrophobicContact CG2-CG2 3.9Å; M971-V1101 HydrophobicContact CE-CB 4.37Å; M971-V1101 HydrophobicContact CE-CG2 3.8Å; M971-V1101 HydrophobicContact SD-CG2 3.94Å
1102	W	95.1	Very high	94.8	Very high	7 Å²	7	43 Å²	43	3%	0.027	25%	0.253	C	S	.	.			trans	-91	0	-179.8	-60.4	113.2	0	0	0	113.1	F799 L803 W809 M810 T936 F939 W956 F964 R1100	F799-W1102 AromaticContact CE2-CD2 3.99Å; F799-W1102 HydrophobicContact CE2-CD2 3.99Å; F799-W1102 AromaticContact CE2-CE3 3.83Å; F799-W1102 HydrophobicContact CE2-CE3 3.83Å; F799-W1102 HydrophobicContact CE2-CG 4.28Å; F799-W1102 HydrophobicContact CE2-CZ3 4.44Å; F799-W1102 HydrophobicContact CZ-CD2 4.48Å; F799-W1102 HydrophobicContact CZ-CE3 4.03Å; F799-W1102 HydrophobicContact CZ-CZ3 4.18Å; L803-W1102 HydrophobicContact CD1-CZ3 4.13Å; W809-W1102 HydrophobicContact CH2-CH2 4.02Å; W809-W1102 HydrophobicContact CH2-CZ2 4.44Å; W809-W1102 HydrophobicContact CH2-CZ3 4.31Å; W809-W1102 HydrophobicContact CZ2-CE3 4.4Å; W809-W1102 HydrophobicContact CZ2-CH2 4.21Å; W809-W1102 HydrophobicContact CZ2-CZ3 4.11Å; M810-W1102 HydrophobicContact CE-CH2 4.43Å; M810-W1102 HydrophobicContact SD-CH2 3.91Å; M810-W1102 HydrophobicContact SD-CZ3 3.63Å; T936-W1102 HydrophobicContact CG2-CG 4.26Å; F939-W1102 HydrophobicContact CB-CD2 4.48Å; F939-W1102 HydrophobicContact CB-CH2 3.87Å; F939-W1102 HydrophobicContact CB-CZ2 3.34Å; F939-W1102 HydrophobicContact CD1-CH2 4.48Å; F939-W1102 HydrophobicContact CG-CH2 4.49Å; F939-W1102 HydrophobicContact CG-CZ2 4.38Å; F939-W1102 WeakPolarHBondContact O-CZ2 3.39Å; W956-W1102 AromaticContact CH2-CH2 3.45Å; W956-W1102 HydrophobicContact CH2-CH2 3.45Å; W956-W1102 VanDerWaalsContact CH2-CH2 3.45Å; W956-W1102 AromaticContact CH2-CZ2 3.76Å; W956-W1102 HydrophobicContact CH2-CZ2 3.76Å; W956-W1102 AromaticContact CZ2-CH2 3.76Å; W956-W1102 HydrophobicContact CZ2-CH2 3.76Å; W956-W1102 HydrophobicContact CZ2-CZ2 4.2Å; F964-W1102 HydrophobicContact CD2-CZ2 4.37Å; F964-W1102 AromaticContact CE2-CZ2 3.96Å; F964-W1102 HydrophobicContact CE2-CZ2 3.96Å; R1100-W1102 PolarHBondContact NE-O 3.28Å

Retrieved 1,102 of 1,102 residues in 2279.8 ms (Link to these results)

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