A0A3Q0KMK3_SCHMA Loading...

Calcium-transporting ATPase

Catalyzes the hydrolysis of ATP coupled with the transport of calcium.

AlphaFold DB , UniProt , Accession A0A3Q0KMK3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,011 aa.

						>A0A3Q0KMK3_SCHMA|A0A3Q0KMK3
METAFSKTVDEVLHHFESDPENGLSDEQIKKQTAKFGPNELPAEESKAIWQLVLEQFDDLLVKILLMAAIISFVLALFEENEESISAFVEPLVILLILIANAVIGVWQERNAESAIEALKEYEPEIAKVFRKSHYGIQRIKARELVPGDIVEVSVGDKVPADMRIIKIMSTTLRVDQSILTGESVSVIKFTDAVPDPRAVNQDKKNILFSGTNIAAGKARGIVVSTGLMTEIGKIRNQMMDTEPDKTPLQQKLDEFGQQLSKVISIICVAVWAINIGHFNDPAHGGSWLKGAIYYFKIAVALAVAAIPEGLPAVITTCLALGTRRMAAKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQMSVCRMFIFSKADDKAPEVHHFEITGSKYAPEGEVFLNGQKVESGEYDGLVEVANICAMCNDSAIDYNETKHVYEKVGEATETALCCLVEKMNVYKTSKSGLSKKDLSMVCNHQIQAMWNKEFTLEFSRDRKSMSVYLQVKPAFASKVPNTAGSGETGPRMFVKGAPEGVLDRCTFVRIGNKKVPMTPPLKAEIVKHVASYGTGRDTLRCLALATCDAPVNKAQMDLEDSTKFVKYEQNLTFVGVVGMLDPPRMEVFDSIARCRKSGIRVIMITGDNKATAEAICRRIGIFSEDEPTTGKSFTGREFDALPIEEQREACRRARLFARVEPMHKSKIVEFLQEDGEVSAMTGDGVNDAPALKKAEIGIAMGSGTAVAKSAADMVLADDNFNSIVLAVEEGRAIYNNMKQFIRYLISSNIGEVVSIFLTAALGLPEALIPVQLLWVNLVTDGLPATALGFNPPDLDIMERPPRNIKDPLISGWLFFRYVAIGVYVGCATVGAAAWWFSLYPKGPQLNYYQLTHQSQCLAQESRFEGVDCSIFSHPKPMTMALSVLVLIEMLNAMNSLSENQSLVAMPPWVNIWLVLAMIVSMSLHFLILEVEFLSKVFQITPLSLEEWFMVIKISAPVIFIDEILKLIARRFTDVPSTVGELK
					

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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	81.2	Confident	90.7	Very high	51 Å²	51	60.1 Å²	60.1	25%	0.251	32%	0.315	S	S	.	.				0	91.3	0	178.6	-179	177.3	0	0	108.2	T3 A4 K7 V12 H15 F16 V224	M1-T3 VanDerWaalsContact C-N 3.34Å; M1-T3 PolarHBondContact O-N 3.16Å; M1-A4 HydrophobicContact CG-CB 4.23Å; M1-A4 WeakPolarHBondContact O-CB 3.23Å; M1-A4 PolarHBondContact O-N 3.11Å; M1-A4 HydrophobicContact SD-CB 4.38Å; M1-K7 HydrophobicContact CE-CB 4.12Å; M1-K7 HydrophobicContact CE-CD 4.44Å; M1-K7 HydrophobicContact CE-CG 3.59Å; M1-V12 HydrophobicContact CE-CG2 4.18Å; M1-V12 HydrophobicContact SD-CG1 4.33Å; M1-V12 HydrophobicContact SD-CG2 4.23Å; M1-H15 HydrophobicContact SD-CB 4.04Å; M1-F16 HydrophobicContact CB-CE2 3.99Å; M1-F16 HydrophobicContact CB-CZ 3.78Å; M1-F16 HydrophobicContact SD-CE2 4.26Å; M1-V224 PolarHBondContact N-O 2.78Å
2	E	80.2	Confident	91.1	Very high	132 Å²	132	55.1 Å²	55.1	62%	0.617	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-64.7	-34.4	-167.9	-63.5	-173.9	151.7	0	0	114	A4 F5	E2-A4 VanDerWaalsContact C-N 3.26Å; E2-A4 PolarHBondContact O-N 3.24Å; E2-F5 WeakPolarHBondContact O-CD1 3.46Å; E2-F5 WeakPolarHBondContact O-CE1 3.44Å
3	T	89.8	Confident	91.3	Very high	66 Å²	66	52.2 Å²	52.2	41%	0.405	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-86.8	15.5	-178	55.8	0	0	0	0	113.7	M1 F5 S6	M1-T3 VanDerWaalsContact C-N 3.34Å; M1-T3 PolarHBondContact O-N 3.16Å; T3-F5 PolarHBondContact O-N 2.95Å; T3-S6 PolarHBondContact O-N 3.41Å; T3-S6 PolarHBondContact O-OG 3.01Å
4	A	92.3	Very high	91.5	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.008	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-57.8	-25.4	-176.1	0	0	0	0	0	114.2	M1 E2 S6 K7 V12 R164 V224	M1-A4 HydrophobicContact CG-CB 4.23Å; M1-A4 WeakPolarHBondContact O-CB 3.23Å; M1-A4 PolarHBondContact O-N 3.11Å; M1-A4 HydrophobicContact SD-CB 4.38Å; E2-A4 VanDerWaalsContact C-N 3.26Å; E2-A4 PolarHBondContact O-N 3.24Å; A4-S6 VanDerWaalsContact C-N 3.25Å; A4-S6 PolarHBondContact O-N 2.84Å; A4-K7 PolarHBondContact O-N 3.25Å; A4-V12 HydrophobicContact CB-CG2 4.19Å; A4-R164 HydrophobicContact CB-CB 4.48Å; A4-R164 WeakPolarHBondContact O-CD 3.41Å; A4-R164 PolarHBondContact O-NE 3.05Å; A4-V224 HydrophobicContact CB-CB 4.07Å; A4-V224 HydrophobicContact CB-CG1 3.56Å; A4-V224 HydrophobicContact CB-CG2 4.41Å
5	F	92	Very high	91.7	Very high	12 Å²	12	63.4 Å²	63.4	5%	0.053	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-64.2	-30.1	173.8	61.5	-92.2	0	0	0	112.7	E2 T3 K7 V194 D196 P197 A199 K204 N206 I207	E2-F5 WeakPolarHBondContact O-CD1 3.46Å; E2-F5 WeakPolarHBondContact O-CE1 3.44Å; T3-F5 PolarHBondContact O-N 2.95Å; F5-K7 VanDerWaalsContact C-N 3.27Å; F5-K7 PolarHBondContact O-N 3.28Å; F5-V194 HydrophobicContact CD2-CB 4.3Å; F5-V194 PolarHBondContact O-N 2.94Å; F5-D196 VanDerWaalsContact CE2-O 3.3Å; F5-D196 WeakPolarHBondContact CE2-O 3.44Å; F5-P197 WeakPolarHBondContact CZ-O 3.43Å; F5-A199 HydrophobicContact CD2-CB 4.19Å; F5-A199 HydrophobicContact CE2-CB 3.96Å; F5-K204 HydrophobicContact CB-CB 4.35Å; F5-K204 HydrophobicContact CB-CD 4.43Å; F5-K204 HydrophobicContact CB-CG 4.02Å; F5-K204 HydrophobicContact CD1-CD 3.86Å; F5-K204 HydrophobicContact CD1-CG 4.16Å; F5-K204 HydrophobicContact CD2-CG 4.24Å; F5-K204 HydrophobicContact CE1-CD 4.32Å; F5-K204 HydrophobicContact CG-CD 4.11Å; F5-K204 HydrophobicContact CG-CG 3.88Å; F5-N206 WeakPolarHBondContact CA-OD1 3.47Å; F5-N206 WeakPolarHBondContact CB-OD1 3.5Å; F5-N206 PolarHBondContact O-ND2 3.14Å; F5-I207 HydrophobicContact CB-CD1 4.06Å; F5-I207 HydrophobicContact CB-CG1 3.67Å
6	S	93	Very high	91.8	Very high	30 Å²	30	60 Å²	60	21%	0.21	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-84.5	-1.8	179.3	70.2	0	0	0	0	114.4	T3 A4 V194	T3-S6 PolarHBondContact O-N 3.41Å; T3-S6 PolarHBondContact O-OG 3.01Å; A4-S6 VanDerWaalsContact C-N 3.25Å; A4-S6 PolarHBondContact O-N 2.84Å; S6-V194 WeakPolarHBondContact CA-O 3.28Å
7	K	93.1	Very high	91.9	Very high	73 Å²	73	64.9 Å²	64.9	32%	0.317	33%	0.325	S	S	.	.	S	Bend	trans	-109.7	151	-173.4	-64.3	-70	-175.9	179.9	0	111.5	M1 A4 F5 E11 V12 R164	M1-K7 HydrophobicContact CE-CB 4.12Å; M1-K7 HydrophobicContact CE-CD 4.44Å; M1-K7 HydrophobicContact CE-CG 3.59Å; A4-K7 PolarHBondContact O-N 3.25Å; F5-K7 VanDerWaalsContact C-N 3.27Å; F5-K7 PolarHBondContact O-N 3.28Å; K7-E11 VanDerWaalsContact CA-OE2 3.29Å; K7-E11 WeakPolarHBondContact CA-OE2 3.28Å; K7-E11 HydrophobicContact CB-CB 4.2Å; K7-E11 WeakPolarHBondContact CB-OE2 3.48Å; K7-E11 HydrophobicContact CD-CB 4.45Å; K7-E11 WeakPolarHBondContact CD-OE2 3.33Å; K7-E11 IonicContact NZ-OE1 2.76Å; K7-V12 HydrophobicContact CB-CG2 3.74Å; K7-R164 PolarHBondContact O-NE 2.88Å; K7-R164 PolarHBondContact O-NH2 3.35Å
8	T	93.9	Very high	91.9	Very high	65 Å²	65	61.8 Å²	61.8	40%	0.399	31%	0.311	S	S	.	.			trans	-69.9	161.4	172.9	71.6	0	0	0	0	109.9	D10 E11 V12	T8-D10 VanDerWaalsContact C-N 3.27Å; T8-D10 PolarHBondContact O-N 3.33Å; T8-E11 PolarHBondContact N-OE2 3.37Å; T8-E11 PolarHBondContact O-N 3.28Å; T8-E11 WeakPolarHBondContact OG1-CG 3.36Å; T8-E11 PolarHBondContact OG1-N 3.48Å; T8-E11 PolarHBondContact OG1-OE2 2.96Å; T8-V12 WeakPolarHBondContact O-CG2 3.5Å; T8-V12 PolarHBondContact O-N 2.85Å
9	V	93.6	Very high	91.8	Very high	28 Å²	28	61.4 Å²	61.4	17%	0.17	31%	0.309	C	S	.	.	H	α-helix	trans	-58.8	-42.7	179.2	173.3	0	0	0	0	110.8	E11 V12 L13 I166	V9-E11 PolarHBondContact O-N 3.08Å; V9-V12 PolarHBondContact O-N 3.22Å; V9-L13 HydrophobicContact CG1-CD1 3.81Å; V9-L13 HydrophobicContact CG1-CG 4.35Å; V9-L13 WeakPolarHBondContact O-CG 3.32Å; V9-L13 PolarHBondContact O-N 3.19Å; V9-I166 HydrophobicContact CG1-CB 4.13Å; V9-I166 HydrophobicContact CG1-CG1 4.09Å; V9-I166 HydrophobicContact CG1-CG2 3.72Å
10	D	93.8	Very high	91.7	Very high	122 Å²	122	60.9 Å²	60.9	65%	0.652	31%	0.31	S	S	*	.	H	α-helix	trans	-65.3	-39.9	-179.3	-58.9	-35.7	0	0	0	112.4	T8 V12 L13 H14	T8-D10 VanDerWaalsContact C-N 3.27Å; T8-D10 PolarHBondContact O-N 3.33Å; D10-V12 VanDerWaalsContact C-N 3.32Å; D10-V12 PolarHBondContact O-N 3.27Å; D10-L13 PolarHBondContact O-N 2.8Å; D10-H14 VanDerWaalsContact O-CB 3.24Å; D10-H14 WeakPolarHBondContact O-CB 3.09Å; D10-H14 PolarHBondContact O-N 3.38Å
11	E	94.9	Very high	91.5	Very high	81 Å²	81	62.7 Å²	62.7	38%	0.379	32%	0.318	S	S	.	.	H	α-helix	trans	-61.5	-40.8	176.2	-74.1	177	127.8	0	0	111.8	K7 T8 V9 H15	K7-E11 VanDerWaalsContact CA-OE2 3.29Å; K7-E11 WeakPolarHBondContact CA-OE2 3.28Å; K7-E11 HydrophobicContact CB-CB 4.2Å; K7-E11 WeakPolarHBondContact CB-OE2 3.48Å; K7-E11 HydrophobicContact CD-CB 4.45Å; K7-E11 WeakPolarHBondContact CD-OE2 3.33Å; K7-E11 IonicContact NZ-OE1 2.76Å; T8-E11 PolarHBondContact N-OE2 3.37Å; T8-E11 PolarHBondContact O-N 3.28Å; T8-E11 WeakPolarHBondContact OG1-CG 3.36Å; T8-E11 PolarHBondContact OG1-N 3.48Å; T8-E11 PolarHBondContact OG1-OE2 2.96Å; V9-E11 PolarHBondContact O-N 3.08Å; E11-H15 WeakPolarHBondContact O-CB 3.49Å; E11-H15 PolarHBondContact O-N 3.41Å
12	V	95.1	Very high	91.9	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-72.9	-42.5	-179.8	-178.3	0	0	0	0	111	M1 A4 K7 T8 V9 D10 H14 H15 F16 R164 I222 V224	M1-V12 HydrophobicContact CE-CG2 4.18Å; M1-V12 HydrophobicContact SD-CG1 4.33Å; M1-V12 HydrophobicContact SD-CG2 4.23Å; A4-V12 HydrophobicContact CB-CG2 4.19Å; K7-V12 HydrophobicContact CB-CG2 3.74Å; T8-V12 WeakPolarHBondContact O-CG2 3.5Å; T8-V12 PolarHBondContact O-N 2.85Å; V9-V12 PolarHBondContact O-N 3.22Å; D10-V12 VanDerWaalsContact C-N 3.32Å; D10-V12 PolarHBondContact O-N 3.27Å; V12-H14 VanDerWaalsContact C-N 3.31Å; V12-H14 PolarHBondContact O-N 3.05Å; V12-H15 PolarHBondContact O-N 3.17Å; V12-F16 HydrophobicContact CG1-CD2 4Å; V12-F16 HydrophobicContact CG1-CE2 4.03Å; V12-F16 WeakPolarHBondContact O-CD2 3.02Å; V12-F16 PolarHBondContact O-N 3.03Å; V12-R164 HydrophobicContact CG1-CB 4.43Å; V12-R164 HydrophobicContact CG1-CG 4.5Å; V12-R164 HydrophobicContact CG2-CG 4.31Å; V12-I222 HydrophobicContact CG1-CG2 3.61Å; V12-V224 HydrophobicContact CG1-CG1 4.19Å
13	L	94.3	Very high	92.5	Very high	18 Å²	18	58 Å²	58	9%	0.094	30%	0.298	C	S	.	.	H	α-helix	trans	-60.2	-42.4	174.5	-73.2	170.1	0	0	0	111.5	V9 D10 F16 E17 S18 P20 I150 I166 I222	V9-L13 HydrophobicContact CG1-CD1 3.81Å; V9-L13 HydrophobicContact CG1-CG 4.35Å; V9-L13 WeakPolarHBondContact O-CG 3.32Å; V9-L13 PolarHBondContact O-N 3.19Å; D10-L13 PolarHBondContact O-N 2.8Å; L13-F16 PolarHBondContact O-N 2.98Å; L13-E17 PolarHBondContact O-N 3.19Å; L13-S18 PolarHBondContact O-N 2.91Å; L13-S18 VanDerWaalsContact O-N 3.16Å; L13-P20 HydrophobicContact CD1-CB 4Å; L13-P20 HydrophobicContact CD1-CG 4.22Å; L13-P20 HydrophobicContact CD2-CB 4.29Å; L13-I150 HydrophobicContact CD2-CD1 4.06Å; L13-I166 HydrophobicContact CD2-CD1 3.96Å; L13-I222 HydrophobicContact CD2-CD1 4.05Å
14	H	94.2	Very high	92.7	Very high	157 Å²	157	54.9 Å²	54.9	73%	0.727	28%	0.279	S	S	*	.	H	α-helix	trans	-65.2	-41.4	177.1	-171.4	67.2	0	0	0	112.1	D10 V12 F16 E17	D10-H14 VanDerWaalsContact O-CB 3.24Å; D10-H14 WeakPolarHBondContact O-CB 3.09Å; D10-H14 PolarHBondContact O-N 3.38Å; V12-H14 VanDerWaalsContact C-N 3.31Å; V12-H14 PolarHBondContact O-N 3.05Å; H14-F16 VanDerWaalsContact C-N 3.29Å; H14-F16 PolarHBondContact O-N 3.32Å; H14-E17 PolarHBondContact O-N 3Å
15	H	94.1	Very high	92.8	Very high	115 Å²	115	56.4 Å²	56.4	53%	0.532	29%	0.289	S	S	.	.	H	α-helix	trans	-59.2	-38.1	178.4	-179.1	77.7	0	0	0	113.3	M1 E11 V12	M1-H15 HydrophobicContact SD-CB 4.04Å; E11-H15 WeakPolarHBondContact O-CB 3.49Å; E11-H15 PolarHBondContact O-N 3.41Å; V12-H15 PolarHBondContact O-N 3.17Å
16	F	93.2	Very high	92.8	Very high	9 Å²	9	60 Å²	60	4%	0.039	31%	0.309	C	S	.	.	H	α-helix	trans	-96.3	-1	-179.7	-70.3	-70.2	0	0	0	114	M1 V12 L13 H14 S18 P147 I222 V224	M1-F16 HydrophobicContact CB-CE2 3.99Å; M1-F16 HydrophobicContact CB-CZ 3.78Å; M1-F16 HydrophobicContact SD-CE2 4.26Å; V12-F16 HydrophobicContact CG1-CD2 4Å; V12-F16 HydrophobicContact CG1-CE2 4.03Å; V12-F16 WeakPolarHBondContact O-CD2 3.02Å; V12-F16 PolarHBondContact O-N 3.03Å; L13-F16 PolarHBondContact O-N 2.98Å; H14-F16 VanDerWaalsContact C-N 3.29Å; H14-F16 PolarHBondContact O-N 3.32Å; F16-S18 PolarHBondContact O-N 2.91Å; F16-P147 HydrophobicContact CD1-CB 4.43Å; F16-P147 HydrophobicContact CE1-CB 3.68Å; F16-P147 HydrophobicContact CZ-CB 4.21Å; F16-I222 HydrophobicContact CB-CD1 3.91Å; F16-I222 HydrophobicContact CD2-CD1 3.82Å; F16-I222 HydrophobicContact CD2-CG1 4.28Å; F16-I222 HydrophobicContact CG-CD1 4.2Å; F16-V224 HydrophobicContact CE2-CG1 4.32Å
17	E	92.9	Very high	92.8	Very high	143 Å²	143	66.2 Å²	66.2	67%	0.668	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	39.2	-174.8	-59.5	175	179.3	0	0	112.7	L13 H14 Q28	L13-E17 PolarHBondContact O-N 3.19Å; H14-E17 PolarHBondContact O-N 3Å; E17-Q28 PolarHBondContact O-NE2 3.16Å
18	S	91.9	Very high	92.8	Very high	10 Å²	10	64.3 Å²	64.3	7%	0.07	33%	0.327	C	S	.	.			trans	-101.8	137.2	-174.8	-163.7	0	0	0	0	111.2	L13 F16 G148	L13-S18 PolarHBondContact O-N 2.91Å; L13-S18 VanDerWaalsContact O-N 3.16Å; F16-S18 PolarHBondContact O-N 2.91Å; S18-G148 WeakPolarHBondContact CB-O 3.37Å; S18-G148 PolarHBondContact OG-O 2.79Å
19	D	91.4	Very high	92.8	Very high	54 Å²	54	62 Å²	62	29%	0.289	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-85.3	128.1	176.2	-176.9	-97.2	0	0	0	110.1	E21 N22 G23 I150	D19-E21 PolarHBondContact O-N 3Å; D19-E21 PolarHBondContact OD1-N 3.2Å; D19-E21 VanDerWaalsContact OD1-N 3.13Å; D19-N22 HydrophobicContact CB-CB 4.35Å; D19-N22 WeakPolarHBondContact OD1-CB 3.22Å; D19-N22 PolarHBondContact OD1-N 3.44Å; D19-N22 PolarHBondContact OD1-ND2 3.45Å; D19-G23 WeakPolarHBondContact O-CA 3.27Å; D19-G23 PolarHBondContact O-N 3.07Å; D19-I150 WeakPolarHBondContact O-CG1 3.45Å
20	P	89.1	Confident	92.8	Very high	50 Å²	50	68.3 Å²	68.3	33%	0.325	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-19.2	-173.5	25.3	-34.1	0	0	0	114.8	L13	L13-P20 HydrophobicContact CD1-CB 4Å; L13-P20 HydrophobicContact CD1-CG 4.22Å; L13-P20 HydrophobicContact CD2-CB 4.29Å
21	E	87.6	Confident	92.8	Very high	99 Å²	99	69.9 Å²	69.9	46%	0.463	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-35.6	179.7	-67.6	-63.2	154.6	0	0	112.7	D19 F130 R220	D19-E21 PolarHBondContact O-N 3Å; D19-E21 PolarHBondContact OD1-N 3.2Å; D19-E21 VanDerWaalsContact OD1-N 3.13Å; E21-F130 WeakPolarHBondContact O-CD1 3.21Å; E21-R220 IonicContact OE1-NH1 2.68Å; E21-R220 IonicContact OE2-CZ 3.7Å; E21-R220 IonicContact OE2-NH1 3.9Å; E21-R220 PolarHBondContact OE2-NH1 2.93Å
22	N	88.6	Confident	92.7	Very high	86 Å²	86	67.3 Å²	67.3	46%	0.46	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-15	-174.3	-55.1	-74.1	0	0	0	113.8	D19 F130 R131 K132	D19-N22 HydrophobicContact CB-CB 4.35Å; D19-N22 WeakPolarHBondContact OD1-CB 3.22Å; D19-N22 PolarHBondContact OD1-N 3.44Å; D19-N22 PolarHBondContact OD1-ND2 3.45Å; N22-F130 CarbonylContact O-C 3.59Å; N22-R131 CarbonylContact O-C 3.6Å; N22-R131 VanDerWaalsContact O-CA 3.26Å; N22-R131 WeakPolarHBondContact O-CA 3.28Å; N22-R131 PolarHBondContact O-N 3.5Å; N22-K132 HydrophobicContact CB-CG 3.95Å; N22-K132 PolarHBondContact O-N 2.94Å
23	G	92.9	Very high	92.6	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	68.9	-152.5	179.6	0	0	0	0	0	115.5	D19 F130 K132	D19-G23 WeakPolarHBondContact O-CA 3.27Å; D19-G23 PolarHBondContact O-N 3.07Å; G23-F130 WeakPolarHBondContact CA-O 3.49Å; G23-K132 WeakPolarHBondContact O-CE 3.42Å
24	L	94.2	Very high	92.5	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-79.7	154.1	-175.5	-64.4	-178.8	0	0	0	112.8	Q28 I29 K132 V146	L24-Q28 HydrophobicContact CB-CB 4.22Å; L24-Q28 HydrophobicContact CD2-CB 4.22Å; L24-I29 HydrophobicContact CB-CD1 4.4Å; L24-I29 HydrophobicContact CB-CG1 3.94Å; L24-I29 HydrophobicContact CD1-CG1 4.35Å; L24-K132 PolarHBondContact O-N 3.22Å; L24-V146 HydrophobicContact CD1-CG2 3.91Å
25	S	94	Very high	92.5	Very high	32 Å²	32	73.4 Å²	73.4	22%	0.224	37%	0.372	C	S	.	.			trans	-82.6	159.9	167.1	74.1	0	0	0	0	112.4	E27 Q28 I29	S25-E27 PolarHBondContact O-N 3.2Å; S25-Q28 WeakPolarHBondContact O-CB 3.24Å; S25-Q28 PolarHBondContact O-N 2.95Å; S25-Q28 WeakPolarHBondContact OG-CG 3.37Å; S25-Q28 PolarHBondContact OG-N 3Å; S25-Q28 PolarHBondContact OG-OE1 3.1Å; S25-I29 WeakPolarHBondContact O-CG1 3.13Å; S25-I29 PolarHBondContact O-N 3.01Å
26	D	92.1	Very high	92.4	Very high	87 Å²	87	71.8 Å²	71.8	47%	0.465	36%	0.364	S	S	.	.	H	α-helix	trans	-59.3	-31.5	177.3	-64.4	-18.5	0	0	0	112.9	K30 S133	D26-K30 WeakPolarHBondContact O-CG 3.24Å; D26-K30 PolarHBondContact O-N 3.45Å; D26-S133 VanDerWaalsContact OD1-CB 3.28Å; D26-S133 WeakPolarHBondContact OD1-CB 3.49Å; D26-S133 PolarHBondContact OD1-OG 3.2Å; D26-S133 WeakPolarHBondContact OD2-CB 3.29Å
27	E	93.5	Very high	92.4	Very high	161 Å²	161	72.5 Å²	72.5	75%	0.752	37%	0.374	S	S	*	.	H	α-helix	trans	-68.5	-43.7	173.4	-74.5	-172.1	157.1	0	0	112.3	S25 I29 K30 K31	S25-E27 PolarHBondContact O-N 3.2Å; E27-I29 VanDerWaalsContact C-N 3.32Å; E27-I29 PolarHBondContact O-N 3.36Å; E27-K30 PolarHBondContact O-N 3.03Å; E27-K31 WeakPolarHBondContact O-CB 3.38Å; E27-K31 PolarHBondContact O-N 3.21Å
28	Q	93.3	Very high	92.4	Very high	33 Å²	33	69 Å²	69	15%	0.154	36%	0.363	C	S	.	.	H	α-helix	trans	-61.7	-43.7	175.3	-72.5	173.8	-55.8	0	0	110.2	E17 L24 S25 K30 K31 Q32	E17-Q28 PolarHBondContact O-NE2 3.16Å; L24-Q28 HydrophobicContact CB-CB 4.22Å; L24-Q28 HydrophobicContact CD2-CB 4.22Å; S25-Q28 WeakPolarHBondContact O-CB 3.24Å; S25-Q28 PolarHBondContact O-N 2.95Å; S25-Q28 WeakPolarHBondContact OG-CG 3.37Å; S25-Q28 PolarHBondContact OG-N 3Å; S25-Q28 PolarHBondContact OG-OE1 3.1Å; Q28-K30 PolarHBondContact O-N 3.4Å; Q28-K31 PolarHBondContact O-N 3.32Å; Q28-Q32 VanDerWaalsContact O-CG 3.28Å; Q28-Q32 WeakPolarHBondContact O-CG 3.32Å; Q28-Q32 PolarHBondContact O-N 3.12Å
29	I	93.5	Very high	92.5	Very high	16 Å²	16	69 Å²	69	8%	0.082	36%	0.363	C	S	.	.	H	α-helix	trans	-59	-51.9	178.2	-65.7	158.5	0	0	0	110.3	L24 S25 E27 K31 Q32 T33 R131 V146	L24-I29 HydrophobicContact CB-CD1 4.4Å; L24-I29 HydrophobicContact CB-CG1 3.94Å; L24-I29 HydrophobicContact CD1-CG1 4.35Å; S25-I29 WeakPolarHBondContact O-CG1 3.13Å; S25-I29 PolarHBondContact O-N 3.01Å; E27-I29 VanDerWaalsContact C-N 3.32Å; E27-I29 PolarHBondContact O-N 3.36Å; I29-K31 VanDerWaalsContact C-N 3.29Å; I29-K31 PolarHBondContact O-N 3.2Å; I29-Q32 PolarHBondContact O-N 3.47Å; I29-Q32 VanDerWaalsContact O-N 3.13Å; I29-T33 WeakPolarHBondContact O-CB 3.37Å; I29-T33 PolarHBondContact O-N 3.08Å; I29-T33 PolarHBondContact O-OG1 3.04Å; I29-R131 HydrophobicContact CD1-CB 4.42Å; I29-R131 VanDerWaalsContact CD1-CD 3.42Å; I29-R131 HydrophobicContact CD1-CG 3.88Å; I29-V146 HydrophobicContact CG2-CG2 4.46Å
30	K	93.5	Very high	92.5	Very high	161 Å²	161	70.3 Å²	70.3	70%	0.7	37%	0.367	S	S	*	.	H	α-helix	trans	-55.8	-43.2	177.4	-76.7	179.7	-178.5	177.2	0	112.5	D26 E27 Q28 A34	D26-K30 WeakPolarHBondContact O-CG 3.24Å; D26-K30 PolarHBondContact O-N 3.45Å; E27-K30 PolarHBondContact O-N 3.03Å; Q28-K30 PolarHBondContact O-N 3.4Å; K30-A34 WeakPolarHBondContact O-CB 3.25Å; K30-A34 PolarHBondContact O-N 2.85Å
31	K	94.7	Very high	92.3	Very high	155 Å²	155	68.1 Å²	68.1	67%	0.674	35%	0.352	S	S	*	.	H	α-helix	trans	-64.3	-43.6	178	-175.7	-179.9	177.6	-175.5	0	111.8	E27 Q28 I29 K35	E27-K31 WeakPolarHBondContact O-CB 3.38Å; E27-K31 PolarHBondContact O-N 3.21Å; Q28-K31 PolarHBondContact O-N 3.32Å; I29-K31 VanDerWaalsContact C-N 3.29Å; I29-K31 PolarHBondContact O-N 3.2Å; K31-K35 WeakPolarHBondContact O-CB 3.4Å; K31-K35 PolarHBondContact O-N 3.44Å; K31-K35 VanDerWaalsContact O-N 3.16Å
32	Q	93.1	Very high	91.9	Very high	28 Å²	28	66 Å²	66	13%	0.131	35%	0.347	C	S	.	.	H	α-helix	trans	-71.3	-38.8	179.1	-62.2	-63.6	18.5	0	0	112	Q28 I29 A34 K35 F36 V146	Q28-Q32 VanDerWaalsContact O-CG 3.28Å; Q28-Q32 WeakPolarHBondContact O-CG 3.32Å; Q28-Q32 PolarHBondContact O-N 3.12Å; I29-Q32 PolarHBondContact O-N 3.47Å; I29-Q32 VanDerWaalsContact O-N 3.13Å; Q32-A34 VanDerWaalsContact C-N 3.33Å; Q32-A34 PolarHBondContact O-N 2.88Å; Q32-K35 PolarHBondContact O-N 3.07Å; Q32-K35 VanDerWaalsContact O-N 3.13Å; Q32-F36 HydrophobicContact CB-CD2 4.35Å; Q32-F36 PolarHBondContact O-N 3.19Å; Q32-V146 HydrophobicContact CB-CB 3.71Å; Q32-V146 HydrophobicContact CB-CG1 4.16Å; Q32-V146 HydrophobicContact CB-CG2 3.85Å; Q32-V146 HydrophobicContact CG-CG2 4.46Å
33	T	92.5	Very high	91.1	Very high	61 Å²	61	65.4 Å²	65.4	37%	0.374	35%	0.354	S	S	.	.	H	α-helix	trans	-60.5	-43.5	174.5	-55	0	0	0	0	111	I29 K35 G37 V146	I29-T33 WeakPolarHBondContact O-CB 3.37Å; I29-T33 PolarHBondContact O-N 3.08Å; I29-T33 PolarHBondContact O-OG1 3.04Å; T33-K35 VanDerWaalsContact C-N 3.26Å; T33-K35 PolarHBondContact O-N 3.38Å; T33-G37 VanDerWaalsContact O-CA 3.31Å; T33-G37 WeakPolarHBondContact O-CA 3.27Å; T33-G37 PolarHBondContact O-N 2.83Å; T33-V146 WeakPolarHBondContact OG1-CG1 3.38Å
34	A	93.2	Very high	89.9	Confident	92 Å²	92	69.8 Å²	69.8	76%	0.76	37%	0.374	S	S	*	.	H	α-helix	trans	-65.4	-30.3	176.5	0	0	0	0	0	112.8	K30 Q32	K30-A34 WeakPolarHBondContact O-CB 3.25Å; K30-A34 PolarHBondContact O-N 2.85Å; Q32-A34 VanDerWaalsContact C-N 3.33Å; Q32-A34 PolarHBondContact O-N 2.88Å
35	K	93.6	Very high	88.5	Confident	149 Å²	149	78.9 Å²	78.9	65%	0.648	42%	0.417	S	S	*	.	H	α-helix	trans	-82.7	-41.9	-178.4	-176.2	176.8	177.2	-177.8	0	113.4	K31 Q32 T33	K31-K35 WeakPolarHBondContact O-CB 3.4Å; K31-K35 PolarHBondContact O-N 3.44Å; K31-K35 VanDerWaalsContact O-N 3.16Å; Q32-K35 PolarHBondContact O-N 3.07Å; Q32-K35 VanDerWaalsContact O-N 3.13Å; T33-K35 VanDerWaalsContact C-N 3.26Å; T33-K35 PolarHBondContact O-N 3.38Å
36	F	92	Very high	87.1	Confident	82 Å²	82	81.3 Å²	81.3	36%	0.36	43%	0.434	S	S	.	.	H	α-helix	trans	-109.4	-12.5	-169.8	-66.7	-68.2	0	0	0	113.9	Q32 P147	Q32-F36 HydrophobicContact CB-CD2 4.35Å; Q32-F36 PolarHBondContact O-N 3.19Å; F36-P147 HydrophobicContact CB-CG 4.23Å; F36-P147 HydrophobicContact CD1-CG 4.23Å; F36-P147 HydrophobicContact CD2-CB 4.1Å; F36-P147 HydrophobicContact CD2-CG 3.59Å; F36-P147 HydrophobicContact CE2-CB 3.93Å; F36-P147 HydrophobicContact CE2-CG 3.87Å; F36-P147 HydrophobicContact CG-CG 3.78Å; F36-P147 HydrophobicContact CZ-CB 4.43Å; F36-P147 HydrophobicContact CZ-CG 4.33Å
37	G	93	Very high	86.1	Confident	24 Å²	24	81.5 Å²	81.5	25%	0.247	43%	0.431	C	S	.	.			trans	74.2	-170.6	-175.1	0	0	0	0	0	113.2	T33	T33-G37 VanDerWaalsContact O-CA 3.31Å; T33-G37 WeakPolarHBondContact O-CA 3.27Å; T33-G37 PolarHBondContact O-N 2.83Å
38	P	93.2	Very high	85.5	Confident	69 Å²	69	75.7 Å²	75.7	45%	0.448	41%	0.41	S	S	.	.			trans	-72.8	152.6	176.7	30.9	-34.3	0	0	0	112	E40 R143	P38-E40 VanDerWaalsContact C-N 3.27Å; P38-E40 HydrophobicContact CB-CG 4.06Å; P38-E40 HydrophobicContact CG-CG 3.96Å; P38-E40 PolarHBondContact O-N 3.14Å; P38-E40 VanDerWaalsContact O-N 3.08Å; P38-R143 WeakPolarHBondContact CA-O 3.47Å
39	N	94.8	Very high	84.9	Confident	11 Å²	11	78.6 Å²	78.6	6%	0.059	43%	0.426	C	S	.	.	S	Bend	trans	-83.8	69	172.4	-180	48.4	0	0	0	110.9	A142 R143 L145 P160 T226 G227	N39-A142 WeakPolarHBondContact CB-O 3.3Å; N39-A142 PolarHBondContact ND2-O 3.5Å; N39-R143 PolarHBondContact N-O 3.4Å; N39-R143 WeakPolarHBondContact O-CA 3.45Å; N39-L145 HydrophobicContact CB-CB 4.13Å; N39-P160 PolarHBondContact ND2-O 2.98Å; N39-T226 HydrophobicContact CB-CG2 3.96Å; N39-T226 VanDerWaalsContact OD1-CA 3.3Å; N39-T226 WeakPolarHBondContact OD1-CA 3.43Å; N39-T226 VanDerWaalsContact OD1-CB 3.27Å; N39-T226 WeakPolarHBondContact OD1-CB 3.3Å; N39-G227 PolarHBondContact OD1-N 3.18Å
40	E	89.9	Confident	84.5	Confident	80 Å²	80	85.5 Å²	85.5	37%	0.374	45%	0.451	S	S	.	.	S	Bend	trans	-145.7	150.9	176.2	67.4	-170.1	-175.7	0	0	110.5	P38 R143	P38-E40 VanDerWaalsContact C-N 3.27Å; P38-E40 HydrophobicContact CB-CG 4.06Å; P38-E40 HydrophobicContact CG-CG 3.96Å; P38-E40 PolarHBondContact O-N 3.14Å; P38-E40 VanDerWaalsContact O-N 3.08Å; E40-R143 HydrophobicContact CB-CB 4.42Å
41	L	85.2	Confident	84.1	Confident	5 Å²	5	81.5 Å²	81.5	3%	0.026	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-81.7	128.5	171.5	-65.9	171.8	0	0	0	109.7	K120 E123 L228 R236	L41-K120 WeakPolarHBondContact O-CE 3.32Å; L41-K120 PolarHBondContact O-NZ 3.45Å; L41-E123 WeakPolarHBondContact CB-OE1 3.32Å; L41-E123 WeakPolarHBondContact CG-OE1 3.19Å; L41-E123 PolarHBondContact N-OE1 2.88Å; L41-L228 HydrophobicContact CD2-CD2 4.05Å; L41-R236 HydrophobicContact CD2-CB 4.31Å
42	P	80	Confident	83.5	Confident	55 Å²	55	74.8 Å²	74.8	36%	0.357	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-57.1	152.3	-179.5	-10.1	10.1	0	0	0	112.9	K120 L228 R236	P42-K120 WeakPolarHBondContact O-CE 3.08Å; P42-L228 HydrophobicContact CG-CD1 4.24Å; P42-L228 HydrophobicContact CG-CD2 4.35Å; P42-L228 HydrophobicContact CG-CG 4.47Å; P42-R236 VanDerWaalsContact CB-NH2 3.29Å; P42-R236 PolarHBondContact O-NE 3.33Å; P42-R236 PolarHBondContact O-NH2 2.94Å
43	A	71	Confident	83.2	Confident	73 Å²	73	76.1 Å²	76.1	60%	0.603	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-73.4	149.2	165.7	0	0	0	0	0	110	K120	A43-K120 VanDerWaalsContact CA-NZ 3.32Å
44	E	67.2	Low	82.9	Confident	91 Å²	91	78.1 Å²	78.1	43%	0.425	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-81.8	139.3	170.8	-167.7	164.8	-152.3	0	0	109	S46 I116	E44-S46 PolarHBondContact O-N 3.33Å; E44-I116 VanDerWaalsContact OE2-CD1 3.24Å; E44-I116 WeakPolarHBondContact OE2-CD1 3.41Å
45	E	66.1	Low	82.5	Confident	191 Å²	191	77.7 Å²	77.7	89%	0.893	41%	0.406	S	S	*	.			trans	-83.5	97.6	173.8	-68.7	-174.3	175.1	0	0	108.3	K47	E45-K47 PolarHBondContact O-N 2.84Å
46	S	63.2	Low	82	Confident	84 Å²	84	73.3 Å²	73.3	59%	0.587	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-59.4	135	174.9	58.7	0	0	0	0	110.5	E44 A48	E44-S46 PolarHBondContact O-N 3.33Å; S46-A48 PolarHBondContact O-N 3.16Å
47	K	71.3	Confident	81.8	Confident	90 Å²	90	72 Å²	72	39%	0.391	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-57	136.8	174.3	-71.2	-172.9	-175.9	-177.3	0	110	E45 L52 E55	E45-K47 PolarHBondContact O-N 2.84Å; K47-L52 HydrophobicContact CB-CD2 4.34Å; K47-L52 HydrophobicContact CB-CG 4.34Å; K47-L52 HydrophobicContact CD-CD2 4.09Å; K47-E55 VanDerWaalsContact NZ-CD 3.3Å; K47-E55 IonicContact NZ-OE1 2.73Å; K47-E55 PolarHBondContact NZ-OE1 3.48Å; K47-E55 IonicContact NZ-OE2 2.75Å; K47-E55 PolarHBondContact NZ-OE2 2.93Å
48	A	81.7	Confident	81.3	Confident	39 Å²	39	76.1 Å²	76.1	32%	0.322	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-70.6	144.5	177.1	0	0	0	0	0	110.2	S46 W50 Q51 L52	S46-A48 PolarHBondContact O-N 3.16Å; A48-W50 VanDerWaalsContact CB-CD1 3.41Å; A48-W50 HydrophobicContact CB-CG 4.38Å; A48-W50 VanDerWaalsContact CB-NE1 3.3Å; A48-W50 PolarHBondContact O-N 3.45Å; A48-Q51 WeakPolarHBondContact O-CB 3.49Å; A48-Q51 PolarHBondContact O-N 3Å; A48-L52 PolarHBondContact O-N 3.27Å
49	I	80.6	Confident	80.5	Confident	94 Å²	94	75.7 Å²	75.7	48%	0.482	39%	0.393	S	S	.	.	H	α-helix	trans	-52.2	-35.8	-177.5	-62.7	172.1	0	0	0	112.4	Q51 L52 V53 V106	I49-Q51 VanDerWaalsContact C-N 3.32Å; I49-Q51 PolarHBondContact O-N 3.01Å; I49-L52 PolarHBondContact O-N 2.96Å; I49-V53 WeakPolarHBondContact O-CG2 3.09Å; I49-V53 PolarHBondContact O-N 3.06Å; I49-V106 HydrophobicContact CG2-CG1 4.31Å
50	W	84.2	Confident	79.8	Confident	162 Å²	162	79.1 Å²	79.1	61%	0.614	41%	0.411	S	S	*	.	H	α-helix	trans	-67.8	-29.9	178.9	71.2	-93.3	0	0	0	113.3	A48 L54	A48-W50 VanDerWaalsContact CB-CD1 3.41Å; A48-W50 HydrophobicContact CB-CG 4.38Å; A48-W50 VanDerWaalsContact CB-NE1 3.3Å; A48-W50 PolarHBondContact O-N 3.45Å; W50-L54 HydrophobicContact CE3-CD1 3.52Å; W50-L54 HydrophobicContact CE3-CG 4.48Å; W50-L54 HydrophobicContact CZ3-CD1 3.46Å; W50-L54 VanDerWaalsContact CZ3-CD1 3.46Å; W50-L54 WeakPolarHBondContact O-CG 3.48Å; W50-L54 PolarHBondContact O-N 3.23Å; W50-L54 VanDerWaalsContact O-N 3.16Å
51	Q	86.6	Confident	79.1	Confident	77 Å²	77	76.7 Å²	76.7	36%	0.36	40%	0.4	S	S	.	.	H	α-helix	trans	-70.3	-43.9	174.4	-68.5	175.8	-34.5	0	0	110.3	A48 I49 V53 L54 E55	A48-Q51 WeakPolarHBondContact O-CB 3.49Å; A48-Q51 PolarHBondContact O-N 3Å; I49-Q51 VanDerWaalsContact C-N 3.32Å; I49-Q51 PolarHBondContact O-N 3.01Å; Q51-V53 VanDerWaalsContact C-N 3.29Å; Q51-V53 PolarHBondContact O-N 2.04Å; Q51-L54 PolarHBondContact O-N 3.5Å; Q51-L54 VanDerWaalsContact O-N 3.09Å; Q51-E55 PolarHBondContact O-N 2.89Å
52	L	81	Confident	79	Confident	14 Å²	14	77.8 Å²	77.8	7%	0.073	41%	0.407	C	S	.	.	H	α-helix	trans	-58.5	-41.5	174.6	-65.2	170.6	0	0	0	111.4	K47 A48 I49 L54 E55 Q56 V106 E109	K47-L52 HydrophobicContact CB-CD2 4.34Å; K47-L52 HydrophobicContact CB-CG 4.34Å; K47-L52 HydrophobicContact CD-CD2 4.09Å; A48-L52 PolarHBondContact O-N 3.27Å; I49-L52 PolarHBondContact O-N 2.96Å; L52-L54 PolarHBondContact O-N 3.34Å; L52-E55 PolarHBondContact O-N 3.41Å; L52-Q56 PolarHBondContact O-N 3.46Å; L52-V106 HydrophobicContact CB-CG1 4.26Å; L52-V106 HydrophobicContact CB-CG2 4.12Å; L52-E109 HydrophobicContact CD2-CG 3.99Å; L52-E109 WeakPolarHBondContact CD2-OE2 3.27Å
53	V	86.2	Confident	79.2	Confident	56 Å²	56	79.2 Å²	79.2	34%	0.339	41%	0.407	S	S	.	.	H	α-helix	trans	-60.8	-43.8	175.1	173.7	0	0	0	0	111.3	I49 Q51 E55 Q56 F57 V106	I49-V53 WeakPolarHBondContact O-CG2 3.09Å; I49-V53 PolarHBondContact O-N 3.06Å; Q51-V53 VanDerWaalsContact C-N 3.29Å; Q51-V53 PolarHBondContact O-N 2.04Å; V53-E55 VanDerWaalsContact C-N 3.34Å; V53-E55 PolarHBondContact O-N 3.38Å; V53-Q56 PolarHBondContact O-N 2.82Å; V53-F57 HydrophobicContact CG1-CE2 4.21Å; V53-F57 VanDerWaalsContact O-CD2 3.31Å; V53-F57 WeakPolarHBondContact O-CD2 3.22Å; V53-V106 HydrophobicContact CB-CG2 4.4Å; V53-V106 HydrophobicContact CG2-CG2 3.8Å
54	L	88.1	Confident	79.6	Confident	103 Å²	103	77.3 Å²	77.3	54%	0.539	39%	0.387	S	S	.	.	H	α-helix	trans	-65.4	-36	179.7	-76.7	171	0	0	0	112.8	W50 Q51 L52 Q56 F57 D58	W50-L54 HydrophobicContact CE3-CD1 3.52Å; W50-L54 HydrophobicContact CE3-CG 4.48Å; W50-L54 HydrophobicContact CZ3-CD1 3.46Å; W50-L54 VanDerWaalsContact CZ3-CD1 3.46Å; W50-L54 WeakPolarHBondContact O-CG 3.48Å; W50-L54 PolarHBondContact O-N 3.23Å; W50-L54 VanDerWaalsContact O-N 3.16Å; Q51-L54 PolarHBondContact O-N 3.5Å; Q51-L54 VanDerWaalsContact O-N 3.09Å; L52-L54 PolarHBondContact O-N 3.34Å; L54-Q56 PolarHBondContact O-N 3.01Å; L54-F57 PolarHBondContact O-N 3.5Å; L54-D58 PolarHBondContact O-N 3.44Å
55	E	84.4	Confident	80.2	Confident	82 Å²	82	73.4 Å²	73.4	38%	0.383	37%	0.369	S	S	.	.	H	α-helix	trans	-61.4	-33.9	177.1	-74	177.4	-179.9	0	0	111.8	K47 Q51 L52 V53 F57 D58	K47-E55 VanDerWaalsContact NZ-CD 3.3Å; K47-E55 IonicContact NZ-OE1 2.73Å; K47-E55 PolarHBondContact NZ-OE1 3.48Å; K47-E55 IonicContact NZ-OE2 2.75Å; K47-E55 PolarHBondContact NZ-OE2 2.93Å; Q51-E55 PolarHBondContact O-N 2.89Å; L52-E55 PolarHBondContact O-N 3.41Å; V53-E55 VanDerWaalsContact C-N 3.34Å; V53-E55 PolarHBondContact O-N 3.38Å; E55-F57 PolarHBondContact O-N 3.32Å; E55-D58 WeakPolarHBondContact O-CB 3.36Å; E55-D58 PolarHBondContact O-N 2.87Å
56	Q	82.7	Confident	81.1	Confident	57 Å²	57	67 Å²	67	27%	0.266	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-21.5	175	-58.9	-58.2	-46.2	0	0	113.5	L52 V53 L54 A102 V106	L52-Q56 PolarHBondContact O-N 3.46Å; V53-Q56 PolarHBondContact O-N 2.82Å; L54-Q56 PolarHBondContact O-N 3.01Å; Q56-A102 HydrophobicContact CB-CB 4.06Å; Q56-A102 HydrophobicContact CG-CB 4.48Å; Q56-V106 HydrophobicContact CG-CG2 4.01Å
57	F	87.2	Confident	82.1	Confident	54 Å²	54	68.7 Å²	68.7	24%	0.237	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	2	176	-70.2	-85.5	0	0	0	113.4	V53 L54 E55 V62 L66 L98 A102	V53-F57 HydrophobicContact CG1-CE2 4.21Å; V53-F57 VanDerWaalsContact O-CD2 3.31Å; V53-F57 WeakPolarHBondContact O-CD2 3.22Å; L54-F57 PolarHBondContact O-N 3.5Å; E55-F57 PolarHBondContact O-N 3.32Å; F57-V62 HydrophobicContact CB-CG1 4.49Å; F57-V62 HydrophobicContact CD1-CG1 3.74Å; F57-V62 HydrophobicContact CE1-CG1 4.4Å; F57-V62 HydrophobicContact CG-CG1 4.39Å; F57-L66 HydrophobicContact CD1-CD2 4.46Å; F57-L98 HydrophobicContact CE1-CB 4.2Å; F57-A102 HydrophobicContact CE2-CB 3.92Å; F57-A102 HydrophobicContact CZ-CB 4.18Å
58	D	82.8	Confident	82.5	Confident	112 Å²	112	64.7 Å²	64.7	60%	0.599	32%	0.324	S	S	*	.			trans	-84.2	-15.9	-178.9	-153.2	28.7	0	0	0	113	L54 E55 K63	L54-D58 PolarHBondContact O-N 3.44Å; E55-D58 WeakPolarHBondContact O-CB 3.36Å; E55-D58 PolarHBondContact O-N 2.87Å; D58-K63 VanDerWaalsContact O-CE 3.29Å; D58-K63 WeakPolarHBondContact O-CE 3.18Å; D58-K63 PolarHBondContact O-NZ 3.22Å; D58-K63 IonicContact OD1-NZ 3.91Å; D58-K63 PolarHBondContact OD1-NZ 3.44Å
59	D	77.1	Confident	82.6	Confident	60 Å²	60	63.2 Å²	63.2	32%	0.321	31%	0.312	S	S	.	.	S	Bend	trans	-63	142.1	175.9	-177.5	-94.6	0	0	0	112.9	L61 V62 K63	D59-L61 PolarHBondContact O-N 3.39Å; D59-L61 WeakPolarHBondContact OD1-CA 3.47Å; D59-L61 VanDerWaalsContact OD1-CB 3.27Å; D59-L61 WeakPolarHBondContact OD1-CB 3.49Å; D59-L61 PolarHBondContact OD1-N 2.95Å; D59-V62 HydrophobicContact CB-CB 4.23Å; D59-V62 HydrophobicContact CB-CG2 4.07Å; D59-V62 PolarHBondContact O-N 2.94Å; D59-V62 PolarHBondContact OD1-N 2.9Å; D59-K63 WeakPolarHBondContact O-CG 3.26Å; D59-K63 PolarHBondContact O-N 3.03Å
60	L	79.2	Confident	82.9	Confident	83 Å²	83	63.4 Å²	63.4	44%	0.435	31%	0.313	S	S	.	.	H	α-helix	trans	-66.6	-37.9	-175.2	-174.2	68.4	0	0	0	112.6	K63 I64 S261	L60-K63 PolarHBondContact O-N 3.37Å; L60-I64 WeakPolarHBondContact O-CG1 3.45Å; L60-I64 PolarHBondContact O-N 2.96Å; L60-I64 VanDerWaalsContact O-N 3.08Å; L60-S261 VanDerWaalsContact CD2-OG 3.31Å; L60-S261 WeakPolarHBondContact CD2-OG 3.32Å
61	L	76.2	Confident	82.7	Confident	28 Å²	28	57.3 Å²	57.3	15%	0.147	29%	0.292	C	S	.	.	H	α-helix	trans	-68.3	-42.1	177.7	-64.8	174.5	0	0	0	110.6	D59 K63 I64 L65 I307	D59-L61 PolarHBondContact O-N 3.39Å; D59-L61 WeakPolarHBondContact OD1-CA 3.47Å; D59-L61 VanDerWaalsContact OD1-CB 3.27Å; D59-L61 WeakPolarHBondContact OD1-CB 3.49Å; D59-L61 PolarHBondContact OD1-N 2.95Å; L61-K63 VanDerWaalsContact C-N 3.3Å; L61-K63 PolarHBondContact O-N 3.11Å; L61-I64 PolarHBondContact O-N 3.28Å; L61-I64 VanDerWaalsContact O-N 3.14Å; L61-L65 PolarHBondContact O-N 3.39Å; L61-I307 HydrophobicContact CD2-CG1 4.42Å
62	V	81.4	Confident	82.3	Confident	28 Å²	28	54 Å²	54	17%	0.17	28%	0.277	C	S	.	.	H	α-helix	trans	-61.9	-40.3	176.1	174	0	0	0	0	111	F57 D59 I64 L65 L66 L98	F57-V62 HydrophobicContact CB-CG1 4.49Å; F57-V62 HydrophobicContact CD1-CG1 3.74Å; F57-V62 HydrophobicContact CE1-CG1 4.4Å; F57-V62 HydrophobicContact CG-CG1 4.39Å; D59-V62 HydrophobicContact CB-CB 4.23Å; D59-V62 HydrophobicContact CB-CG2 4.07Å; D59-V62 PolarHBondContact O-N 2.94Å; D59-V62 PolarHBondContact OD1-N 2.9Å; V62-I64 VanDerWaalsContact C-N 3.34Å; V62-I64 PolarHBondContact O-N 2.82Å; V62-L65 PolarHBondContact O-N 3.02Å; V62-L66 VanDerWaalsContact O-CB 3.3Å; V62-L66 WeakPolarHBondContact O-CB 3.38Å; V62-L66 PolarHBondContact O-N 3.33Å; V62-L98 HydrophobicContact CG1-CD2 3.89Å
63	K	84.9	Confident	82.5	Confident	85 Å²	85	58 Å²	58	37%	0.37	29%	0.294	S	S	.	.	H	α-helix	trans	-62	-38.9	173.7	-76.3	168.2	176	159.2	0	112.8	D58 D59 L60 L61 L66 M67	D58-K63 VanDerWaalsContact O-CE 3.29Å; D58-K63 WeakPolarHBondContact O-CE 3.18Å; D58-K63 PolarHBondContact O-NZ 3.22Å; D58-K63 IonicContact OD1-NZ 3.91Å; D58-K63 PolarHBondContact OD1-NZ 3.44Å; D59-K63 WeakPolarHBondContact O-CG 3.26Å; D59-K63 PolarHBondContact O-N 3.03Å; L60-K63 PolarHBondContact O-N 3.37Å; L61-K63 VanDerWaalsContact C-N 3.3Å; L61-K63 PolarHBondContact O-N 3.11Å; K63-L66 PolarHBondContact O-N 2.97Å; K63-M67 WeakPolarHBondContact O-CB 3.38Å; K63-M67 PolarHBondContact O-N 3.3Å
64	I	79.4	Confident	82.4	Confident	34 Å²	34	58.3 Å²	58.3	17%	0.174	30%	0.296	C	S	.	.	H	α-helix	trans	-65.6	-45.5	175.7	-70.2	169.2	0	0	0	110.5	L60 L61 V62 M67 A68 S261 A303 I307	L60-I64 WeakPolarHBondContact O-CG1 3.45Å; L60-I64 PolarHBondContact O-N 2.96Å; L60-I64 VanDerWaalsContact O-N 3.08Å; L61-I64 PolarHBondContact O-N 3.28Å; L61-I64 VanDerWaalsContact O-N 3.14Å; V62-I64 VanDerWaalsContact C-N 3.34Å; V62-I64 PolarHBondContact O-N 2.82Å; I64-M67 WeakPolarHBondContact O-CB 3.28Å; I64-M67 PolarHBondContact O-N 3.47Å; I64-A68 WeakPolarHBondContact O-CB 3.28Å; I64-A68 PolarHBondContact O-N 2.93Å; I64-S261 WeakPolarHBondContact CD1-OG 3.3Å; I64-A303 HydrophobicContact CG2-CB 4.45Å; I64-I307 HydrophobicContact CG2-CD1 4.21Å
65	L	79.9	Confident	81.8	Confident	9 Å²	9	55.2 Å²	55.2	5%	0.047	28%	0.28	C	S	.	.	H	α-helix	trans	-63	-40.8	175.5	-87.9	158.5	0	0	0	112.4	L61 V62 M67 A68 A69 I94 L98 I307 E309	L61-L65 PolarHBondContact O-N 3.39Å; V62-L65 PolarHBondContact O-N 3.02Å; L65-M67 VanDerWaalsContact C-N 3.32Å; L65-M67 PolarHBondContact O-N 3.01Å; L65-A68 WeakPolarHBondContact O-CB 3.33Å; L65-A68 PolarHBondContact O-N 3.14Å; L65-A69 WeakPolarHBondContact O-CB 3.36Å; L65-A69 PolarHBondContact O-N 3.39Å; L65-I94 HydrophobicContact CD2-CG2 4.01Å; L65-L98 HydrophobicContact CB-CD1 4.47Å; L65-L98 HydrophobicContact CB-CD2 3.99Å; L65-L98 HydrophobicContact CD1-CD2 4.45Å; L65-I307 HydrophobicContact CD1-CD1 4.01Å; L65-I307 HydrophobicContact CD1-CG2 3.88Å; L65-I307 HydrophobicContact CD2-CD1 4.42Å; L65-I307 HydrophobicContact CG-CD1 3.75Å; L65-E309 HydrophobicContact CD1-CG 4.37Å; L65-E309 WeakPolarHBondContact CD2-OE1 3.29Å
66	L	85.6	Confident	81.5	Confident	57 Å²	57	51.8 Å²	51.8	30%	0.298	27%	0.266	S	S	.	.	H	α-helix	trans	-64.6	-40.5	176.1	-174.6	66.3	0	0	0	110.9	F57 V62 K63 A69 I70 L98	F57-L66 HydrophobicContact CD1-CD2 4.46Å; V62-L66 VanDerWaalsContact O-CB 3.3Å; V62-L66 WeakPolarHBondContact O-CB 3.38Å; V62-L66 PolarHBondContact O-N 3.33Å; K63-L66 PolarHBondContact O-N 2.97Å; L66-A69 PolarHBondContact O-N 3.03Å; L66-I70 HydrophobicContact CG-CD1 4.25Å; L66-I70 VanDerWaalsContact O-CG1 3.27Å; L66-I70 WeakPolarHBondContact O-CG1 3.39Å; L66-I70 PolarHBondContact O-N 2.88Å; L66-L98 HydrophobicContact CB-CD1 4.06Å; L66-L98 HydrophobicContact CD1-CD1 3.93Å
67	M	83.4	Confident	81.4	Confident	119 Å²	119	54.2 Å²	54.2	59%	0.586	28%	0.28	S	S	*	.	H	α-helix	trans	-63.2	-44.4	173.7	-171.4	-176.7	-61.2	0	0	111.3	K63 I64 L65 A69 I70 I71	K63-M67 WeakPolarHBondContact O-CB 3.38Å; K63-M67 PolarHBondContact O-N 3.3Å; I64-M67 WeakPolarHBondContact O-CB 3.28Å; I64-M67 PolarHBondContact O-N 3.47Å; L65-M67 VanDerWaalsContact C-N 3.32Å; L65-M67 PolarHBondContact O-N 3.01Å; M67-A69 VanDerWaalsContact C-N 3.35Å; M67-A69 PolarHBondContact O-N 3.13Å; M67-I70 PolarHBondContact O-N 3.35Å; M67-I71 HydrophobicContact CG-CD1 3.82Å; M67-I71 WeakPolarHBondContact O-CB 3.43Å; M67-I71 WeakPolarHBondContact O-CD1 3.44Å; M67-I71 VanDerWaalsContact O-CG1 3.27Å; M67-I71 WeakPolarHBondContact O-CG1 3.29Å; M67-I71 PolarHBondContact O-N 3.43Å
68	A	79.8	Confident	80.9	Confident	5 Å²	5	59.3 Å²	59.3	4%	0.041	30%	0.302	C	S	.	.	H	α-helix	trans	-58.5	-44.6	173.8	0	0	0	0	0	111.8	I64 L65 I70 I71 S72 V300 V304	I64-A68 WeakPolarHBondContact O-CB 3.28Å; I64-A68 PolarHBondContact O-N 2.93Å; L65-A68 WeakPolarHBondContact O-CB 3.33Å; L65-A68 PolarHBondContact O-N 3.14Å; A68-I70 PolarHBondContact O-N 3.33Å; A68-I71 PolarHBondContact O-N 3.43Å; A68-S72 WeakPolarHBondContact O-CB 3.1Å; A68-S72 PolarHBondContact O-N 3.29Å; A68-V300 HydrophobicContact CB-CG1 3.66Å; A68-V304 HydrophobicContact CB-CG2 4.44Å
69	A	84.1	Confident	80.3	Confident	8 Å²	8	59.2 Å²	59.2	7%	0.066	30%	0.298	C	S	.	.	H	α-helix	trans	-61.2	-44.8	176.4	0	0	0	0	0	112	L65 L66 M67 S72 F73 I94	L65-A69 WeakPolarHBondContact O-CB 3.36Å; L65-A69 PolarHBondContact O-N 3.39Å; L66-A69 PolarHBondContact O-N 3.03Å; M67-A69 VanDerWaalsContact C-N 3.35Å; M67-A69 PolarHBondContact O-N 3.13Å; A69-S72 PolarHBondContact O-N 3.42Å; A69-F73 VanDerWaalsContact O-CB 3.28Å; A69-F73 WeakPolarHBondContact O-CB 3.31Å; A69-F73 PolarHBondContact O-N 3.01Å; A69-I94 HydrophobicContact CB-CB 4.13Å; A69-I94 HydrophobicContact CB-CG2 3.73Å
70	I	86.3	Confident	79.3	Confident	99 Å²	99	65.1 Å²	65.1	51%	0.508	32%	0.324	S	S	.	.	H	α-helix	trans	-63.3	-46.6	177.5	-68.5	164.9	0	0	0	110.4	L66 M67 A68 F73 V74	L66-I70 HydrophobicContact CG-CD1 4.25Å; L66-I70 VanDerWaalsContact O-CG1 3.27Å; L66-I70 WeakPolarHBondContact O-CG1 3.39Å; L66-I70 PolarHBondContact O-N 2.88Å; M67-I70 PolarHBondContact O-N 3.35Å; A68-I70 PolarHBondContact O-N 3.33Å; I70-F73 PolarHBondContact O-N 3.19Å; I70-V74 VanDerWaalsContact O-CG2 3.3Å; I70-V74 WeakPolarHBondContact O-CG2 3.27Å; I70-V74 PolarHBondContact O-N 3.08Å
71	I	80.5	Confident	78.1	Confident	33 Å²	33	67.9 Å²	67.9	17%	0.169	34%	0.339	C	S	.	.	H	α-helix	trans	-62.4	-48.2	178.8	-69.8	160.6	0	0	0	110.5	M67 A68 F73 V74 L75 F296 V300	M67-I71 HydrophobicContact CG-CD1 3.82Å; M67-I71 WeakPolarHBondContact O-CB 3.43Å; M67-I71 WeakPolarHBondContact O-CD1 3.44Å; M67-I71 VanDerWaalsContact O-CG1 3.27Å; M67-I71 WeakPolarHBondContact O-CG1 3.29Å; M67-I71 PolarHBondContact O-N 3.43Å; A68-I71 PolarHBondContact O-N 3.43Å; I71-F73 VanDerWaalsContact C-N 3.28Å; I71-F73 PolarHBondContact O-N 2.69Å; I71-V74 PolarHBondContact O-N 3.43Å; I71-V74 VanDerWaalsContact O-N 3.15Å; I71-L75 HydrophobicContact CG2-CD1 3.82Å; I71-L75 HydrophobicContact CG2-CG 4.31Å; I71-L75 WeakPolarHBondContact O-CG 3.34Å; I71-L75 PolarHBondContact O-N 3.23Å; I71-F296 HydrophobicContact CB-CE1 4.48Å; I71-F296 HydrophobicContact CD1-CE1 3.59Å; I71-F296 HydrophobicContact CD1-CZ 3.73Å; I71-F296 HydrophobicContact CG1-CE1 4.07Å; I71-F296 HydrophobicContact CG2-CD1 4.01Å; I71-F296 HydrophobicContact CG2-CE1 3.63Å; I71-V300 HydrophobicContact CD1-CG2 4.34Å; I71-V300 HydrophobicContact CG2-CG2 4.01Å
72	S	79	Confident	76.8	Confident	7 Å²	7	76.3 Å²	76.3	5%	0.049	38%	0.377	C	S	.	.	H	α-helix	trans	-59.2	-41.3	178.7	-172.2	0	0	0	0	111	A68 A69 L75 A76 E90	A68-S72 WeakPolarHBondContact O-CB 3.1Å; A68-S72 PolarHBondContact O-N 3.29Å; A69-S72 PolarHBondContact O-N 3.42Å; S72-L75 PolarHBondContact O-N 3.49Å; S72-A76 WeakPolarHBondContact O-CB 3.3Å; S72-A76 PolarHBondContact O-N 2.79Å; S72-E90 PolarHBondContact OG-OE1 2.88Å
73	F	85	Confident	75.5	Confident	100 Å²	100	81.6 Å²	81.6	44%	0.439	40%	0.401	S	S	.	.	H	α-helix	trans	-63.9	-42.2	174.6	-170.6	-96.4	0	0	0	112.8	A69 I70 I71 A76 L77 F88 P91	A69-F73 VanDerWaalsContact O-CB 3.28Å; A69-F73 WeakPolarHBondContact O-CB 3.31Å; A69-F73 PolarHBondContact O-N 3.01Å; I70-F73 PolarHBondContact O-N 3.19Å; I71-F73 VanDerWaalsContact C-N 3.28Å; I71-F73 PolarHBondContact O-N 2.69Å; F73-A76 PolarHBondContact O-N 3.05Å; F73-L77 HydrophobicContact CD1-CD1 3.98Å; F73-L77 HydrophobicContact CD1-CG 4.49Å; F73-L77 HydrophobicContact CE1-CD1 3.72Å; F73-L77 HydrophobicContact CE1-CG 4.25Å; F73-L77 WeakPolarHBondContact O-CG 3.49Å; F73-L77 PolarHBondContact O-N 2.7Å; F73-L77 VanDerWaalsContact O-N 3.17Å; F73-F88 HydrophobicContact CD2-CD1 4.05Å; F73-F88 HydrophobicContact CD2-CE1 4.21Å; F73-F88 AromaticContact CE2-CD1 3.83Å; F73-F88 HydrophobicContact CE2-CD1 3.83Å; F73-F88 AromaticContact CE2-CE1 3.83Å; F73-F88 HydrophobicContact CE2-CE1 3.83Å; F73-F88 HydrophobicContact CZ-CE1 4.25Å; F73-P91 HydrophobicContact CB-CB 3.85Å; F73-P91 HydrophobicContact CB-CG 4.33Å; F73-P91 HydrophobicContact CD2-CB 4.17Å; F73-P91 HydrophobicContact CD2-CG 4.16Å
74	V	83.5	Confident	74.2	Confident	62 Å²	62	81.4 Å²	81.4	38%	0.376	41%	0.41	S	S	.	.	H	α-helix	trans	-64.3	-43	176	171.8	0	0	0	0	110.7	I70 I71 L77 F78	I70-V74 VanDerWaalsContact O-CG2 3.3Å; I70-V74 WeakPolarHBondContact O-CG2 3.27Å; I70-V74 PolarHBondContact O-N 3.08Å; I71-V74 PolarHBondContact O-N 3.43Å; I71-V74 VanDerWaalsContact O-N 3.15Å; V74-L77 WeakPolarHBondContact O-CB 3.43Å; V74-L77 PolarHBondContact O-N 2.97Å; V74-F78 HydrophobicContact CG1-CD2 3.83Å; V74-F78 HydrophobicContact CG1-CE2 3.67Å; V74-F78 WeakPolarHBondContact O-CD2 3.17Å; V74-F78 PolarHBondContact O-N 3.22Å
75	L	76.4	Confident	73.6	Confident	38 Å²	38	86.7 Å²	86.7	20%	0.199	44%	0.437	C	S	.	.	H	α-helix	trans	-62.7	-43.2	177.5	-70.3	170	0	0	0	111.8	I71 S72 L77 F78 E79 I293 K297	I71-L75 HydrophobicContact CG2-CD1 3.82Å; I71-L75 HydrophobicContact CG2-CG 4.31Å; I71-L75 WeakPolarHBondContact O-CG 3.34Å; I71-L75 PolarHBondContact O-N 3.23Å; S72-L75 PolarHBondContact O-N 3.49Å; L75-L77 PolarHBondContact O-N 3.03Å; L75-F78 PolarHBondContact O-N 2.88Å; L75-E79 PolarHBondContact O-N 3.07Å; L75-I293 HydrophobicContact CD2-CG2 3.38Å; L75-K297 HydrophobicContact CD1-CB 4.28Å; L75-K297 HydrophobicContact CD1-CG 4.45Å
76	A	78.3	Confident	73	Confident	10 Å²	10	89 Å²	89	8%	0.083	45%	0.453	C	S	.	.	H	α-helix	trans	-60.4	-30.6	175.5	0	0	0	0	0	112.7	S72 F73 F78 A87 F88	S72-A76 WeakPolarHBondContact O-CB 3.3Å; S72-A76 PolarHBondContact O-N 2.79Å; F73-A76 PolarHBondContact O-N 3.05Å; A76-F78 VanDerWaalsContact C-N 3.35Å; A76-A87 HydrophobicContact CB-CB 4.19Å; A76-F88 HydrophobicContact CB-CD1 4.01Å; A76-F88 HydrophobicContact CB-CE1 3.96Å; A76-F88 HydrophobicContact CB-CZ 4.48Å
77	L	80.5	Confident	72.3	Confident	107 Å²	107	87.3 Å²	87.3	56%	0.56	45%	0.448	S	S	*	.	H	α-helix	trans	-72.3	-24.8	174.2	-72.2	170.6	0	0	0	113.8	F73 V74 L75 F88	F73-L77 HydrophobicContact CD1-CD1 3.98Å; F73-L77 HydrophobicContact CD1-CG 4.49Å; F73-L77 HydrophobicContact CE1-CD1 3.72Å; F73-L77 HydrophobicContact CE1-CG 4.25Å; F73-L77 WeakPolarHBondContact O-CG 3.49Å; F73-L77 PolarHBondContact O-N 2.7Å; F73-L77 VanDerWaalsContact O-N 3.17Å; V74-L77 WeakPolarHBondContact O-CB 3.43Å; V74-L77 PolarHBondContact O-N 2.97Å; L75-L77 PolarHBondContact O-N 3.03Å; L77-F88 HydrophobicContact CD2-CE1 4.13Å; L77-F88 HydrophobicContact CD2-CZ 3.93Å; L77-F88 HydrophobicContact CG-CE1 4.35Å; L77-F88 HydrophobicContact CG-CZ 4.49Å
78	F	76.2	Confident	72.3	Confident	162 Å²	162	85 Å²	85	71%	0.711	44%	0.435	S	S	*	.	H	α-helix	trans	-99.7	-2.1	-177.4	-75.5	-69.1	0	0	0	113.9	V74 L75 A76 E80	V74-F78 HydrophobicContact CG1-CD2 3.83Å; V74-F78 HydrophobicContact CG1-CE2 3.67Å; V74-F78 WeakPolarHBondContact O-CD2 3.17Å; V74-F78 PolarHBondContact O-N 3.22Å; L75-F78 PolarHBondContact O-N 2.88Å; A76-F78 VanDerWaalsContact C-N 3.35Å; F78-E80 PolarHBondContact O-N 3.28Å
79	E	69.3	Low	72.3	Confident	109 Å²	109	86.7 Å²	86.7	51%	0.509	45%	0.445	S	S	.	.			trans	-81.2	110.2	-179.7	-148.1	160.2	-152.9	0	0	109.9	L75 N81 K297	L75-E79 PolarHBondContact O-N 3.07Å; E79-N81 VanDerWaalsContact C-N 3.33Å; E79-N81 PolarHBondContact O-N 3.28Å; E79-K297 IonicContact OE1-NZ 3.35Å
80	E	56.9	Low	71.9	Confident	184 Å²	184	87.5 Å²	87.5	86%	0.86	45%	0.447	S	S	*	.			trans	-80.8	10	-167.7	-74.4	-176.7	151.6	0	0	115.8	F78	F78-E80 PolarHBondContact O-N 3.28Å
81	N	53.4	Low	71.8	Confident	141 Å²	141	83.1 Å²	83.1	75%	0.754	43%	0.425	S	S	*	.	S	Bend	trans	-107.9	155.3	-171.4	-75.5	-20.7	0	0	0	115.3	E79 E83	E79-N81 VanDerWaalsContact C-N 3.33Å; E79-N81 PolarHBondContact O-N 3.28Å; N81-E83 PolarHBondContact O-N 3.18Å
82	E	48.6	Very low	72.1	Confident	205 Å²	205	86.8 Å²	86.8	96%	0.958	44%	0.444	S	S	*	.	S	Bend	trans	-58.5	-2.7	-163.9	-71.3	-178	145.4	0	0	118.5	S84	E82-S84 PolarHBondContact O-N 3.01Å
83	E	54.3	Low	72.3	Confident	140 Å²	140	88.5 Å²	88.5	65%	0.654	46%	0.455	S	S	*	.			trans	-98.7	54.5	178.5	-65.8	-164.3	164.6	0	0	113.2	N81 I85 S86	N81-E83 PolarHBondContact O-N 3.18Å; E83-I85 PolarHBondContact O-N 3.33Å; E83-S86 WeakPolarHBondContact CB-OG 3.16Å; E83-S86 PolarHBondContact O-N 3.18Å; E83-S86 PolarHBondContact O-OG 3.35Å; E83-S86 VanDerWaalsContact O-OG 3.12Å; E83-S86 PolarHBondContact OE2-OG 3.4Å
84	S	58.7	Low	72.2	Confident	81 Å²	81	83.8 Å²	83.8	57%	0.566	43%	0.434	S	S	*	.	H	α-helix	trans	-57.9	-22.4	-171.5	76.9	0	0	0	0	115.1	E82 F88	E82-S84 PolarHBondContact O-N 3.01Å; S84-F88 WeakPolarHBondContact O-CD2 3.35Å
85	I	66.8	Low	72.4	Confident	144 Å²	144	84.8 Å²	84.8	74%	0.738	44%	0.437	S	S	*	.	H	α-helix	trans	-81.6	-37.4	-178.1	-59.8	176.1	0	0	0	111.9	E83	E83-I85 PolarHBondContact O-N 3.33Å
86	S	65.9	Low	73	Confident	57 Å²	57	88.2 Å²	88.2	40%	0.399	45%	0.454	S	S	.	.	H	α-helix	trans	-72.4	-33.5	-176.2	59.3	0	0	0	0	111.8	E83 F88 V89	E83-S86 WeakPolarHBondContact CB-OG 3.16Å; E83-S86 PolarHBondContact O-N 3.18Å; E83-S86 PolarHBondContact O-OG 3.35Å; E83-S86 VanDerWaalsContact O-OG 3.12Å; E83-S86 PolarHBondContact OE2-OG 3.4Å; S86-F88 VanDerWaalsContact C-N 3.31Å; S86-F88 PolarHBondContact O-N 3.27Å; S86-V89 WeakPolarHBondContact O-CB 3.36Å; S86-V89 WeakPolarHBondContact O-CG2 3.43Å; S86-V89 PolarHBondContact O-N 3.01Å; S86-V89 VanDerWaalsContact O-N 3.1Å
87	A	71.8	Confident	73.3	Confident	22 Å²	22	88 Å²	88	18%	0.182	45%	0.452	C	S	.	.	H	α-helix	trans	-61.5	-33.7	179.3	0	0	0	0	0	113.7	A76 V89	A76-A87 HydrophobicContact CB-CB 4.19Å; A87-V89 VanDerWaalsContact C-N 3.34Å
88	F	82.9	Confident	73.5	Confident	72 Å²	72	83.1 Å²	83.1	32%	0.316	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-6.6	177.5	-69.6	-72.5	0	0	0	114.2	F73 A76 L77 S84 S86 P91 L92	F73-F88 HydrophobicContact CD2-CD1 4.05Å; F73-F88 HydrophobicContact CD2-CE1 4.21Å; F73-F88 AromaticContact CE2-CD1 3.83Å; F73-F88 HydrophobicContact CE2-CD1 3.83Å; F73-F88 AromaticContact CE2-CE1 3.83Å; F73-F88 HydrophobicContact CE2-CE1 3.83Å; F73-F88 HydrophobicContact CZ-CE1 4.25Å; A76-F88 HydrophobicContact CB-CD1 4.01Å; A76-F88 HydrophobicContact CB-CE1 3.96Å; A76-F88 HydrophobicContact CB-CZ 4.48Å; L77-F88 HydrophobicContact CD2-CE1 4.13Å; L77-F88 HydrophobicContact CD2-CZ 3.93Å; L77-F88 HydrophobicContact CG-CE1 4.35Å; L77-F88 HydrophobicContact CG-CZ 4.49Å; S84-F88 WeakPolarHBondContact O-CD2 3.35Å; S86-F88 VanDerWaalsContact C-N 3.31Å; S86-F88 PolarHBondContact O-N 3.27Å; F88-P91 WeakPolarHBondContact O-CD 3.42Å; F88-P91 WeakPolarHBondContact O-CG 3.38Å; F88-L92 WeakPolarHBondContact O-CB 3.29Å; F88-L92 PolarHBondContact O-N 3.32Å
89	V	80.8	Confident	74.1	Confident	40 Å²	40	79.8 Å²	79.8	24%	0.242	42%	0.415	C	S	.	.	H	α-helix	trans	-63.5	-45.3	-179.9	176.3	0	0	0	0	110.4	S86 A87 L92 V93 V965	S86-V89 WeakPolarHBondContact O-CB 3.36Å; S86-V89 WeakPolarHBondContact O-CG2 3.43Å; S86-V89 PolarHBondContact O-N 3.01Å; S86-V89 VanDerWaalsContact O-N 3.1Å; A87-V89 VanDerWaalsContact C-N 3.34Å; V89-L92 PolarHBondContact O-N 3.37Å; V89-V93 HydrophobicContact CG1-CG2 4.01Å; V89-V93 WeakPolarHBondContact O-CB 3.29Å; V89-V93 VanDerWaalsContact O-CG2 3.22Å; V89-V93 WeakPolarHBondContact O-CG2 3.3Å; V89-V93 PolarHBondContact O-N 3.46Å; V89-V965 HydrophobicContact CG1-CG1 4.32Å
90	E	74.6	Confident	74.8	Confident	24 Å²	24	76.6 Å²	76.6	11%	0.112	41%	0.407	C	S	.	.	H	α-helix	trans	-57.4	-58	-178.7	-171.4	-168	133.2	0	0	113	S72 L92 V93 I94 P798 V799	S72-E90 PolarHBondContact OG-OE1 2.88Å; E90-L92 VanDerWaalsContact C-N 3.28Å; E90-L92 PolarHBondContact O-N 3.38Å; E90-V93 PolarHBondContact O-N 2.83Å; E90-I94 HydrophobicContact CG-CD1 4.34Å; E90-I94 WeakPolarHBondContact O-CG1 3.35Å; E90-I94 PolarHBondContact O-N 3.46Å; E90-I94 VanDerWaalsContact O-N 3.16Å; E90-P798 HydrophobicContact CG-CB 4.32Å; E90-V799 HydrophobicContact CB-CG2 4.26Å
91	P	84	Confident	75.9	Confident	7 Å²	7	69.5 Å²	69.5	5%	0.045	38%	0.375	C	S	.	.	H	α-helix	trans	-65.2	-31.7	-179.8	25.1	-34.8	0	0	0	112.8	F73 F88 L95	F73-P91 HydrophobicContact CB-CB 3.85Å; F73-P91 HydrophobicContact CB-CG 4.33Å; F73-P91 HydrophobicContact CD2-CB 4.17Å; F73-P91 HydrophobicContact CD2-CG 4.16Å; F88-P91 WeakPolarHBondContact O-CD 3.42Å; F88-P91 WeakPolarHBondContact O-CG 3.38Å; P91-L95 WeakPolarHBondContact O-CB 3.18Å; P91-L95 PolarHBondContact O-N 3.18Å
92	L	87.5	Confident	77.3	Confident	110 Å²	110	63.2 Å²	63.2	58%	0.576	34%	0.343	S	S	*	.	H	α-helix	trans	-69.8	-39.1	178.9	-170.5	120.2	0	0	0	111.9	F88 V89 E90 L95 L96	F88-L92 WeakPolarHBondContact O-CB 3.29Å; F88-L92 PolarHBondContact O-N 3.32Å; V89-L92 PolarHBondContact O-N 3.37Å; E90-L92 VanDerWaalsContact C-N 3.28Å; E90-L92 PolarHBondContact O-N 3.38Å; L92-L95 PolarHBondContact O-N 3.48Å; L92-L96 VanDerWaalsContact O-CB 3.28Å; L92-L96 WeakPolarHBondContact O-CB 3.46Å; L92-L96 PolarHBondContact O-N 3.31Å
93	V	83.7	Confident	79	Confident	44 Å²	44	58 Å²	58	27%	0.267	33%	0.325	S	S	.	.	H	α-helix	trans	-66.2	-45.4	176.2	173.2	0	0	0	0	110.5	V89 E90 L95 L96 I97 L802	V89-V93 HydrophobicContact CG1-CG2 4.01Å; V89-V93 WeakPolarHBondContact O-CB 3.29Å; V89-V93 VanDerWaalsContact O-CG2 3.22Å; V89-V93 WeakPolarHBondContact O-CG2 3.3Å; V89-V93 PolarHBondContact O-N 3.46Å; E90-V93 PolarHBondContact O-N 2.83Å; V93-L95 VanDerWaalsContact C-N 3.32Å; V93-L95 PolarHBondContact O-N 3.45Å; V93-L96 PolarHBondContact O-N 3.46Å; V93-I97 HydrophobicContact CG1-CD1 4.03Å; V93-I97 WeakPolarHBondContact O-CG1 3.28Å; V93-I97 PolarHBondContact O-N 3.33Å; V93-L802 HydrophobicContact CB-CD1 4.43Å; V93-L802 HydrophobicContact CG1-CD1 3.85Å
94	I	82.7	Confident	80	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-59.7	-45.9	177.2	-59.8	167.6	0	0	0	110.1	L65 A69 E90 L96 I97 L98 V304 L802	L65-I94 HydrophobicContact CD2-CG2 4.01Å; A69-I94 HydrophobicContact CB-CB 4.13Å; A69-I94 HydrophobicContact CB-CG2 3.73Å; E90-I94 HydrophobicContact CG-CD1 4.34Å; E90-I94 WeakPolarHBondContact O-CG1 3.35Å; E90-I94 PolarHBondContact O-N 3.46Å; E90-I94 VanDerWaalsContact O-N 3.16Å; I94-L96 VanDerWaalsContact C-N 3.33Å; I94-L96 PolarHBondContact O-N 3.42Å; I94-I97 PolarHBondContact O-N 2.97Å; I94-L98 WeakPolarHBondContact O-CG 3.31Å; I94-L98 PolarHBondContact O-N 2.87Å; I94-V304 HydrophobicContact CD1-CG2 4.29Å; I94-L802 HydrophobicContact CG1-CD1 4.22Å
95	L	87.8	Confident	80.7	Confident	83 Å²	83	50.9 Å²	50.9	44%	0.435	29%	0.287	S	S	.	.	H	α-helix	trans	-62.1	-40.3	177.7	-172.5	69.9	0	0	0	112.2	P91 L92 V93 I97 L98 I99	P91-L95 WeakPolarHBondContact O-CB 3.18Å; P91-L95 PolarHBondContact O-N 3.18Å; L92-L95 PolarHBondContact O-N 3.48Å; V93-L95 VanDerWaalsContact C-N 3.32Å; V93-L95 PolarHBondContact O-N 3.45Å; L95-I97 VanDerWaalsContact C-N 3.34Å; L95-I97 PolarHBondContact O-N 2.88Å; L95-L98 PolarHBondContact O-N 3.37Å; L95-I99 HydrophobicContact CG-CD1 4.07Å; L95-I99 VanDerWaalsContact O-CG1 3.3Å; L95-I99 WeakPolarHBondContact O-CG1 3.27Å; L95-I99 PolarHBondContact O-N 3.02Å
96	L	88.2	Confident	81.2	Confident	109 Å²	109	44.8 Å²	44.8	57%	0.571	26%	0.257	S	S	*	.	H	α-helix	trans	-63.5	-40.7	178.1	-173.8	147.8	0	0	0	111.6	L92 V93 I94 I99 A100	L92-L96 VanDerWaalsContact O-CB 3.28Å; L92-L96 WeakPolarHBondContact O-CB 3.46Å; L92-L96 PolarHBondContact O-N 3.31Å; V93-L96 PolarHBondContact O-N 3.46Å; I94-L96 VanDerWaalsContact C-N 3.33Å; I94-L96 PolarHBondContact O-N 3.42Å; L96-I99 PolarHBondContact O-N 3.37Å; L96-A100 WeakPolarHBondContact O-CB 3.33Å; L96-A100 PolarHBondContact O-N 3.32Å
97	I	84	Confident	81.5	Confident	7 Å²	7	50.1 Å²	50.1	4%	0.036	27%	0.268	C	S	.	.	H	α-helix	trans	-63.1	-45.7	175	-68.9	169.3	0	0	0	110.4	V93 I94 L95 I99 A100 N101 E309 L802 L806	V93-I97 HydrophobicContact CG1-CD1 4.03Å; V93-I97 WeakPolarHBondContact O-CG1 3.28Å; V93-I97 PolarHBondContact O-N 3.33Å; I94-I97 PolarHBondContact O-N 2.97Å; L95-I97 VanDerWaalsContact C-N 3.34Å; L95-I97 PolarHBondContact O-N 2.88Å; I97-I99 VanDerWaalsContact C-N 3.33Å; I97-I99 PolarHBondContact O-N 2.84Å; I97-A100 PolarHBondContact O-N 3.29Å; I97-N101 WeakPolarHBondContact O-CB 3.47Å; I97-N101 PolarHBondContact O-N 3.15Å; I97-E309 HydrophobicContact CG2-CB 4.42Å; I97-L802 HydrophobicContact CD1-CD2 3.72Å; I97-L806 HydrophobicContact CD1-CD2 4.4Å; I97-L806 HydrophobicContact CG1-CD2 4.36Å
98	L	85.8	Confident	81.1	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-60.1	-42.8	177.5	-71	-178.9	0	0	0	112.2	F57 V62 L65 L66 I94 L95 A102	F57-L98 HydrophobicContact CE1-CB 4.2Å; V62-L98 HydrophobicContact CG1-CD2 3.89Å; L65-L98 HydrophobicContact CB-CD1 4.47Å; L65-L98 HydrophobicContact CB-CD2 3.99Å; L65-L98 HydrophobicContact CD1-CD2 4.45Å; L66-L98 HydrophobicContact CB-CD1 4.06Å; L66-L98 HydrophobicContact CD1-CD1 3.93Å; I94-L98 WeakPolarHBondContact O-CG 3.31Å; I94-L98 PolarHBondContact O-N 2.87Å; L95-L98 PolarHBondContact O-N 3.37Å; L98-A102 WeakPolarHBondContact O-CB 3.4Å; L98-A102 PolarHBondContact O-N 3.26Å
99	I	89	Confident	80.2	Confident	91 Å²	91	52.4 Å²	52.4	47%	0.467	28%	0.276	S	S	.	.	H	α-helix	trans	-63.9	-45.9	175.7	-68.4	166.7	0	0	0	110.6	L95 L96 I97 N101 A102 V103	L95-I99 HydrophobicContact CG-CD1 4.07Å; L95-I99 VanDerWaalsContact O-CG1 3.3Å; L95-I99 WeakPolarHBondContact O-CG1 3.27Å; L95-I99 PolarHBondContact O-N 3.02Å; L96-I99 PolarHBondContact O-N 3.37Å; I97-I99 VanDerWaalsContact C-N 3.33Å; I97-I99 PolarHBondContact O-N 2.84Å; I99-N101 PolarHBondContact O-N 3.11Å; I99-A102 PolarHBondContact O-N 2.88Å; I99-V103 HydrophobicContact CG2-CG2 4.34Å; I99-V103 VanDerWaalsContact O-CG2 3.3Å; I99-V103 WeakPolarHBondContact O-CG2 3.45Å; I99-V103 PolarHBondContact O-N 3.49Å
100	A	84.2	Confident	79.3	Confident	42 Å²	42	58.7 Å²	58.7	35%	0.347	30%	0.295	S	S	.	.	H	α-helix	trans	-60.6	-45.5	179.4	0	0	0	0	0	111.5	L96 I97 V103 I104	L96-A100 WeakPolarHBondContact O-CB 3.33Å; L96-A100 PolarHBondContact O-N 3.32Å; I97-A100 PolarHBondContact O-N 3.29Å; A100-V103 PolarHBondContact O-N 3.15Å; A100-I104 VanDerWaalsContact O-CG1 3.3Å; A100-I104 WeakPolarHBondContact O-CG1 3.26Å; A100-I104 PolarHBondContact O-N 3.12Å
101	N	78.6	Confident	78.3	Confident	36 Å²	36	62.5 Å²	62.5	19%	0.193	32%	0.316	C	S	.	.	H	α-helix	trans	-62.1	-44.4	176.8	-74.3	-8.9	0	0	0	111.5	I97 I99 V103 I104 G105	I97-N101 WeakPolarHBondContact O-CB 3.47Å; I97-N101 PolarHBondContact O-N 3.15Å; I99-N101 PolarHBondContact O-N 3.11Å; N101-V103 PolarHBondContact O-N 2.96Å; N101-I104 PolarHBondContact O-N 2.91Å; N101-G105 PolarHBondContact O-N 3.45Å
102	A	83.7	Confident	76.8	Confident	9 Å²	9	65.5 Å²	65.5	7%	0.074	34%	0.342	C	S	.	.	H	α-helix	trans	-63.2	-41.2	177	0	0	0	0	0	112.4	Q56 F57 L98 I99 G105 V106	Q56-A102 HydrophobicContact CB-CB 4.06Å; Q56-A102 HydrophobicContact CG-CB 4.48Å; F57-A102 HydrophobicContact CE2-CB 3.92Å; F57-A102 HydrophobicContact CZ-CB 4.18Å; L98-A102 WeakPolarHBondContact O-CB 3.4Å; L98-A102 PolarHBondContact O-N 3.26Å; I99-A102 PolarHBondContact O-N 2.88Å; A102-G105 PolarHBondContact O-N 3.04Å; A102-V106 VanDerWaalsContact O-CG2 3.31Å; A102-V106 WeakPolarHBondContact O-CG2 3.44Å; A102-V106 PolarHBondContact O-N 3.49Å
103	V	84.5	Confident	75.2	Confident	95 Å²	95	65.6 Å²	65.6	58%	0.576	34%	0.339	S	S	*	.	H	α-helix	trans	-64.1	-44.7	177	169.7	0	0	0	0	111.2	I99 A100 N101 G105 W107	I99-V103 HydrophobicContact CG2-CG2 4.34Å; I99-V103 VanDerWaalsContact O-CG2 3.3Å; I99-V103 WeakPolarHBondContact O-CG2 3.45Å; I99-V103 PolarHBondContact O-N 3.49Å; A100-V103 PolarHBondContact O-N 3.15Å; N101-V103 PolarHBondContact O-N 2.96Å; V103-G105 VanDerWaalsContact C-N 3.34Å; V103-W107 WeakPolarHBondContact O-CB 3.5Å; V103-W107 PolarHBondContact O-N 2.84Å
104	I	75.5	Confident	74.2	Confident	60 Å²	60	65.5 Å²	65.5	31%	0.308	34%	0.341	S	S	.	.	H	α-helix	trans	-61.9	-44.2	176.9	-68.3	168.1	0	0	0	110.1	A100 N101 W107 Q108 T316	A100-I104 VanDerWaalsContact O-CG1 3.3Å; A100-I104 WeakPolarHBondContact O-CG1 3.26Å; A100-I104 PolarHBondContact O-N 3.12Å; N101-I104 PolarHBondContact O-N 2.91Å; I104-W107 PolarHBondContact O-N 3.19Å; I104-Q108 WeakPolarHBondContact O-CG 3.38Å; I104-Q108 PolarHBondContact O-N 3.09Å; I104-T316 HydrophobicContact CG2-CG2 4.31Å
105	G	72.2	Confident	73	Confident	11 Å²	11	66.2 Å²	66.2	11%	0.113	35%	0.347	C	S	.	.	H	α-helix	trans	-59.6	-52.8	177.7	0	0	0	0	0	112.9	N101 A102 V103 W107 Q108 E109	N101-G105 PolarHBondContact O-N 3.45Å; A102-G105 PolarHBondContact O-N 3.04Å; V103-G105 VanDerWaalsContact C-N 3.34Å; G105-W107 VanDerWaalsContact C-N 3.3Å; G105-W107 PolarHBondContact O-N 3.29Å; G105-Q108 WeakPolarHBondContact O-CB 3.48Å; G105-Q108 PolarHBondContact O-N 3.23Å; G105-Q108 VanDerWaalsContact O-N 3.14Å; G105-E109 PolarHBondContact O-N 2.82Å
106	V	77.2	Confident	71.6	Confident	17 Å²	17	62.6 Å²	62.6	10%	0.103	33%	0.328	C	S	.	.	H	α-helix	trans	-63.1	-35.9	-179.7	173.8	0	0	0	0	112.3	I49 L52 V53 Q56 A102 Q108 E109 R110	I49-V106 HydrophobicContact CG2-CG1 4.31Å; L52-V106 HydrophobicContact CB-CG1 4.26Å; L52-V106 HydrophobicContact CB-CG2 4.12Å; V53-V106 HydrophobicContact CB-CG2 4.4Å; V53-V106 HydrophobicContact CG2-CG2 3.8Å; Q56-V106 HydrophobicContact CG-CG2 4.01Å; A102-V106 VanDerWaalsContact O-CG2 3.31Å; A102-V106 WeakPolarHBondContact O-CG2 3.44Å; A102-V106 PolarHBondContact O-N 3.49Å; V106-Q108 VanDerWaalsContact C-N 3.29Å; V106-Q108 PolarHBondContact O-N 2.98Å; V106-E109 PolarHBondContact O-N 3.05Å; V106-R110 PolarHBondContact O-N 2.9Å
107	W	72.2	Confident	70.7	Confident	168 Å²	168	64.3 Å²	64.3	64%	0.636	33%	0.333	S	S	*	.	H	α-helix	trans	-65.4	-33.3	178	-178.7	68.6	0	0	0	112.6	V103 I104 G105	V103-W107 WeakPolarHBondContact O-CB 3.5Å; V103-W107 PolarHBondContact O-N 2.84Å; I104-W107 PolarHBondContact O-N 3.19Å; G105-W107 VanDerWaalsContact C-N 3.3Å; G105-W107 PolarHBondContact O-N 3.29Å
108	Q	64.4	Low	70	Confident	65 Å²	65	64.5 Å²	64.5	30%	0.304	34%	0.335	S	S	.	.	H	α-helix	trans	-69.9	-43.2	176.9	-69.6	173.9	17.6	0	0	112	I104 G105 V106 R110 N111 T316 L336	I104-Q108 WeakPolarHBondContact O-CG 3.38Å; I104-Q108 PolarHBondContact O-N 3.09Å; G105-Q108 WeakPolarHBondContact O-CB 3.48Å; G105-Q108 PolarHBondContact O-N 3.23Å; G105-Q108 VanDerWaalsContact O-N 3.14Å; V106-Q108 VanDerWaalsContact C-N 3.29Å; V106-Q108 PolarHBondContact O-N 2.98Å; Q108-R110 PolarHBondContact O-N 2.94Å; Q108-N111 PolarHBondContact O-N 3.02Å; Q108-T316 PolarHBondContact NE2-OG1 2.92Å; Q108-L336 HydrophobicContact CG-CD1 4.48Å
109	E	62.8	Low	68.8	Low	78 Å²	78	64.3 Å²	64.3	36%	0.364	33%	0.334	S	S	.	.	H	α-helix	trans	-70.6	-33.5	-173.1	-153.9	154.4	-150.5	0	0	112.3	L52 G105 V106 N111 A112	L52-E109 HydrophobicContact CD2-CG 3.99Å; L52-E109 WeakPolarHBondContact CD2-OE2 3.27Å; G105-E109 PolarHBondContact O-N 2.82Å; V106-E109 PolarHBondContact O-N 3.05Å; E109-N111 PolarHBondContact O-N 3.33Å; E109-N111 VanDerWaalsContact O-N 3.13Å; E109-A112 PolarHBondContact O-N 2.96Å
110	R	63.3	Low	68	Low	172 Å²	172	63.3 Å²	63.3	65%	0.649	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-63	-20.9	-179.9	-171.8	173.8	175.3	165.8	1.6	114.5	V106 Q108 A112	V106-R110 PolarHBondContact O-N 2.9Å; Q108-R110 PolarHBondContact O-N 2.94Å; R110-A112 VanDerWaalsContact C-N 3.27Å; R110-A112 PolarHBondContact O-N 3.36Å
111	N	53.2	Low	67.6	Low	103 Å²	103	67.4 Å²	67.4	55%	0.551	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-80.1	-2.2	-177	-72.5	-33.7	0	0	0	114.1	Q108 E109	Q108-N111 PolarHBondContact O-N 3.02Å; E109-N111 PolarHBondContact O-N 3.33Å; E109-N111 VanDerWaalsContact O-N 3.13Å
112	A	51.8	Low	67.3	Low	71 Å²	71	67.6 Å²	67.6	59%	0.587	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-98.2	-9.6	-167.6	0	0	0	0	0	117.1	E109 R110	E109-A112 PolarHBondContact O-N 2.96Å; R110-A112 VanDerWaalsContact C-N 3.27Å; R110-A112 PolarHBondContact O-N 3.36Å
113	E	54.9	Low	67	Low	111 Å²	111	69.9 Å²	69.9	52%	0.519	35%	0.346	S	S	.	.			trans	-107.4	77.5	-164.2	-68.5	-176.1	167.7	0	0	115.6
114	S	62.6	Low	66.8	Low	43 Å²	43	66.5 Å²	66.5	30%	0.301	33%	0.326	S	S	.	.			trans	-139.4	0	176.1	71.3	0	0	0	0	117.6	A118 R334 S738	S114-A118 PolarHBondContact O-N 3.4Å; S114-R334 PolarHBondContact OG-NH2 2.91Å; S114-S738 PolarHBondContact OG-OG 3.49Å
115	A	57	Low	67.4	Low	15 Å²	15	71.3 Å²	71.3	12%	0.124	35%	0.347	C	S	.	.	H	α-helix	trans	-67.7	-41	-171.6	0	0	0	0	0	114.5	A118 M239 S738 A739	A115-A118 PolarHBondContact O-N 3.15Å; A115-M239 HydrophobicContact CB-CE 3.84Å; A115-S738 WeakPolarHBondContact CB-O 3.31Å; A115-A739 HydrophobicContact CB-CB 4.42Å
116	I	58.9	Low	68.3	Low	7 Å²	7	74.2 Å²	74.2	4%	0.036	36%	0.359	C	S	.	.	H	α-helix	trans	-74.3	-33	-176.6	-55.9	-165.3	0	0	0	111.3	E44 A118 L119 R236 M240	E44-I116 VanDerWaalsContact OE2-CD1 3.24Å; E44-I116 WeakPolarHBondContact OE2-CD1 3.41Å; I116-A118 VanDerWaalsContact C-N 3.31Å; I116-A118 PolarHBondContact O-N 2.85Å; I116-L119 WeakPolarHBondContact O-CB 3.15Å; I116-L119 PolarHBondContact O-N 3.27Å; I116-R236 HydrophobicContact CG2-CG 4.39Å; I116-M240 HydrophobicContact CD1-CG 3.5Å; I116-M240 VanDerWaalsContact CD1-CG 3.5Å; I116-M240 HydrophobicContact CD1-SD 4.33Å
117	E	69.3	Low	69.1	Low	146 Å²	146	73.6 Å²	73.6	68%	0.682	36%	0.356	S	S	*	.	H	α-helix	trans	-63.9	-37.5	174.5	-72.9	-168.2	152	0	0	111.9	L119 K120	E117-L119 PolarHBondContact O-N 3.48Å; E117-K120 WeakPolarHBondContact O-CB 3.48Å; E117-K120 PolarHBondContact O-N 3.28Å; E117-K120 VanDerWaalsContact O-N 3.11Å
118	A	68.7	Low	70.2	Confident	10 Å²	10	68 Å²	68	8%	0.083	34%	0.336	C	S	.	.	H	α-helix	trans	-63.9	-27.4	176.3	0	0	0	0	0	113.1	S114 A115 I116 K120 E121 A734 V735	S114-A118 PolarHBondContact O-N 3.4Å; A115-A118 PolarHBondContact O-N 3.15Å; I116-A118 VanDerWaalsContact C-N 3.31Å; I116-A118 PolarHBondContact O-N 2.85Å; A118-K120 VanDerWaalsContact C-N 3.31Å; A118-K120 PolarHBondContact O-N 3.49Å; A118-E121 PolarHBondContact O-N 3.31Å; A118-A734 HydrophobicContact CB-CB 4.26Å; A118-V735 VanDerWaalsContact C-CG2 3.49Å; A118-V735 HydrophobicContact CB-CG2 3.88Å; A118-V735 WeakPolarHBondContact O-CG2 3.48Å
119	L	61.3	Low	71.7	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-66.6	-33.9	175	-83.3	166.9	0	0	0	111.8	I116 E117 E121 Y122 I232 R236 M239 V714 V735	I116-L119 WeakPolarHBondContact O-CB 3.15Å; I116-L119 PolarHBondContact O-N 3.27Å; E117-L119 PolarHBondContact O-N 3.48Å; L119-E121 PolarHBondContact O-N 3.5Å; L119-Y122 WeakPolarHBondContact O-CB 3.45Å; L119-Y122 PolarHBondContact O-N 2.91Å; L119-Y122 VanDerWaalsContact O-N 3.09Å; L119-I232 HydrophobicContact CD2-CD1 4.23Å; L119-I232 HydrophobicContact CD2-CG1 4.18Å; L119-R236 HydrophobicContact CD1-CB 4.23Å; L119-M239 HydrophobicContact CD1-SD 3.86Å; L119-V714 HydrophobicContact CD2-CG1 3.45Å; L119-V714 VanDerWaalsContact CD2-CG1 3.45Å; L119-V735 HydrophobicContact CB-CG2 4.37Å; L119-V735 HydrophobicContact CD2-CB 4.43Å; L119-V735 HydrophobicContact CD2-CG1 3.75Å; L119-V735 HydrophobicContact CD2-CG2 3.85Å; L119-V735 HydrophobicContact CG-CG1 3.79Å; L119-V735 HydrophobicContact CG-CG2 3.84Å
120	K	72.3	Confident	73.2	Confident	70 Å²	70	61.9 Å²	61.9	30%	0.304	31%	0.307	S	S	.	.	H	α-helix	trans	-65.3	-22.3	-179.8	-68.6	-175.3	172.6	-172.3	0	112.9	L41 P42 A43 E117 A118 Y122 E123	L41-K120 WeakPolarHBondContact O-CE 3.32Å; L41-K120 PolarHBondContact O-NZ 3.45Å; P42-K120 WeakPolarHBondContact O-CE 3.08Å; A43-K120 VanDerWaalsContact CA-NZ 3.32Å; E117-K120 WeakPolarHBondContact O-CB 3.48Å; E117-K120 PolarHBondContact O-N 3.28Å; E117-K120 VanDerWaalsContact O-N 3.11Å; A118-K120 VanDerWaalsContact C-N 3.31Å; A118-K120 PolarHBondContact O-N 3.49Å; K120-Y122 PolarHBondContact O-N 2.82Å; K120-Y122 VanDerWaalsContact O-N 3.15Å; K120-E123 WeakPolarHBondContact O-CB 3.36Å; K120-E123 PolarHBondContact O-N 2.91Å
121	E	75.2	Confident	74.6	Confident	129 Å²	129	54.7 Å²	54.7	60%	0.603	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.8	174	-62.5	-172.2	163	0	0	113.2	A118 L119 K158	A118-E121 PolarHBondContact O-N 3.31Å; L119-E121 PolarHBondContact O-N 3.5Å; E121-K158 PolarHBondContact O-NZ 3.35Å
122	Y	71.6	Confident	76.4	Confident	39 Å²	39	55.2 Å²	55.2	15%	0.153	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-14.4	175.6	-66.5	-83.5	0	0	0	113.3	L119 K120 P124 I179 V714 T733 V735	L119-Y122 WeakPolarHBondContact O-CB 3.45Å; L119-Y122 PolarHBondContact O-N 2.91Å; L119-Y122 VanDerWaalsContact O-N 3.09Å; K120-Y122 PolarHBondContact O-N 2.82Å; K120-Y122 VanDerWaalsContact O-N 3.15Å; Y122-P124 WeakPolarHBondContact O-CD 3.14Å; Y122-I179 HydrophobicContact CD1-CG2 4.09Å; Y122-I179 HydrophobicContact CE1-CG2 3.71Å; Y122-V714 HydrophobicContact CE2-CG2 4.01Å; Y122-T733 WeakPolarHBondContact OH-CB 3.2Å; Y122-T733 WeakPolarHBondContact OH-CG2 3.47Å; Y122-V735 HydrophobicContact CD2-CG2 4.14Å; Y122-V735 HydrophobicContact CE2-CG2 3.63Å
123	E	78.6	Confident	78.1	Confident	58 Å²	58	55.1 Å²	55.1	27%	0.271	27%	0.272	S	S	.	.	S	Bend	trans	-74.7	121.9	173.5	-62.4	-173	149	0	0	110	L41 K120	L41-E123 WeakPolarHBondContact CB-OE1 3.32Å; L41-E123 WeakPolarHBondContact CG-OE1 3.19Å; L41-E123 PolarHBondContact N-OE1 2.88Å; K120-E123 WeakPolarHBondContact O-CB 3.36Å; K120-E123 PolarHBondContact O-N 2.91Å
124	P	80.6	Confident	79.6	Confident	24 Å²	24	54 Å²	54	16%	0.156	27%	0.267	C	S	.	.			trans	-70.8	145.7	173.5	28.1	-31.6	0	0	0	110.6	Y122 I126 A142 K158 P160	Y122-P124 WeakPolarHBondContact O-CD 3.14Å; P124-I126 VanDerWaalsContact C-N 3.33Å; P124-I126 PolarHBondContact O-N 3.49Å; P124-A142 HydrophobicContact CG-CB 4.3Å; P124-A142 WeakPolarHBondContact O-CB 3.34Å; P124-K158 HydrophobicContact CB-CB 3.93Å; P124-K158 HydrophobicContact CG-CB 4.16Å; P124-P160 HydrophobicContact CG-CB 3.63Å
125	E	86.8	Confident	80.5	Confident	161 Å²	161	62.7 Å²	62.7	75%	0.752	30%	0.295	S	S	*	.	S	Bend	trans	-71.8	-30.1	176.8	-166.4	-178.9	176.8	0	0	112.2	K141 A142	E125-K141 WeakPolarHBondContact O-CA 3.47Å; E125-A142 PolarHBondContact O-N 2.92Å
126	I	91.8	Very high	81.9	Confident	72 Å²	72	63.4 Å²	63.4	37%	0.369	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	140	-169.5	-59.2	172.1	0	0	0	110.9	P124 R139 I140	P124-I126 VanDerWaalsContact C-N 3.33Å; P124-I126 PolarHBondContact O-N 3.49Å; I126-R139 HydrophobicContact CG2-CB 4Å; I126-R139 HydrophobicContact CG2-CG 4.4Å; I126-I140 CarbonylContact C-O 3.5Å; I126-I140 WeakPolarHBondContact CA-O 3.44Å; I126-I140 WeakPolarHBondContact CG2-O 3.49Å
127	A	93.4	Very high	83.3	Confident	3 Å²	3	66.4 Å²	66.4	3%	0.025	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	154.1	171.9	0	0	0	0	0	111.7	R139 I140 A142 L145 P160	A127-R139 WeakPolarHBondContact O-CA 3.43Å; A127-I140 HydrophobicContact CB-CG1 4.34Å; A127-I140 PolarHBondContact N-O 3.15Å; A127-I140 PolarHBondContact O-N 3.39Å; A127-A142 HydrophobicContact CB-CB 4.38Å; A127-L145 HydrophobicContact CB-CD1 3.61Å; A127-L145 HydrophobicContact CB-CD2 4.14Å; A127-L145 HydrophobicContact CB-CG 3.92Å; A127-P160 HydrophobicContact CB-CB 4.02Å; A127-P160 HydrophobicContact CB-CG 3.98Å
128	K	95.4	Very high	84.4	Confident	50 Å²	50	62.3 Å²	62.3	22%	0.217	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	117.9	176.5	-49.6	170.9	-164.5	163.4	0	109.5	I137 Q138 R139 V151 E152 S154 D157	K128-I137 HydrophobicContact CB-CD1 3.7Å; K128-I137 HydrophobicContact CB-CG1 3.92Å; K128-I137 HydrophobicContact CD-CD1 4.25Å; K128-I137 HydrophobicContact CG-CD1 4.45Å; K128-Q138 CarbonylContact C-O 3.51Å; K128-Q138 WeakPolarHBondContact CA-O 3.33Å; K128-R139 HydrophobicContact CG-CG 4.45Å; K128-V151 WeakPolarHBondContact O-CA 3.46Å; K128-V151 WeakPolarHBondContact O-CG1 3.44Å; K128-E152 PolarHBondContact O-N 3.42Å; K128-S154 PolarHBondContact NZ-OG 3.37Å; K128-D157 WeakPolarHBondContact CE-OD1 3.34Å; K128-D157 IonicContact NZ-OD1 3.21Å; K128-D157 PolarHBondContact NZ-OD1 2.87Å; K128-D157 IonicContact NZ-OD2 2.64Å; K128-D157 PolarHBondContact NZ-OD2 3.1Å
129	V	95.6	Very high	85.6	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	158.6	-171.3	-58.7	0	0	0	0	112.9	R131 Q138 I140 L145 I150 V151	V129-R131 HydrophobicContact CG2-CG 4.01Å; V129-Q138 HydrophobicContact CG2-CB 4.21Å; V129-Q138 PolarHBondContact N-O 3.35Å; V129-Q138 PolarHBondContact O-N 3.45Å; V129-I140 HydrophobicContact CB-CD1 4.49Å; V129-I140 HydrophobicContact CG1-CD1 3.78Å; V129-I140 HydrophobicContact CG1-CG1 4.05Å; V129-I140 HydrophobicContact CG2-CD1 3.87Å; V129-I140 HydrophobicContact CG2-CG1 4Å; V129-I140 HydrophobicContact CG2-CG2 4.01Å; V129-L145 HydrophobicContact CG1-CD2 3.37Å; V129-I150 CarbonylContact C-O 3.41Å; V129-I150 VanDerWaalsContact CA-O 3.24Å; V129-I150 WeakPolarHBondContact CA-O 3.43Å; V129-V151 HydrophobicContact CG1-CG2 4.07Å
130	F	94.9	Very high	87.1	Confident	15 Å²	15	71 Å²	71	7%	0.066	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.2	163.2	-65.9	-96.8	0	0	0	108.5	E21 N22 G23 I137 I150 E152	E21-F130 WeakPolarHBondContact O-CD1 3.21Å; N22-F130 CarbonylContact O-C 3.59Å; G23-F130 WeakPolarHBondContact CA-O 3.49Å; F130-I137 HydrophobicContact CE1-CB 4.3Å; F130-I137 HydrophobicContact CE2-CB 4.47Å; F130-I137 HydrophobicContact CE2-CD1 4.32Å; F130-I137 HydrophobicContact CE2-CG1 4.22Å; F130-I137 HydrophobicContact CZ-CB 4.03Å; F130-I137 HydrophobicContact CZ-CD1 4.4Å; F130-I137 HydrophobicContact CZ-CG1 4.26Å; F130-I150 HydrophobicContact CB-CB 4.26Å; F130-I150 HydrophobicContact CB-CG2 4.44Å; F130-I150 HydrophobicContact CD2-CG2 4.17Å; F130-I150 PolarHBondContact N-O 2.99Å; F130-E152 HydrophobicContact CE2-CB 3.94Å
131	R	93.7	Very high	88.2	Confident	21 Å²	21	72.9 Å²	72.9	8%	0.079	34%	0.34	C	S	.	.	B	Isolated β-bridge	trans	-137.3	142.3	178.2	-70.9	179.6	166.3	178.4	1.6	108.7	N22 I29 V129 S133 H134 E144 D149	N22-R131 CarbonylContact O-C 3.6Å; N22-R131 VanDerWaalsContact O-CA 3.26Å; N22-R131 WeakPolarHBondContact O-CA 3.28Å; N22-R131 PolarHBondContact O-N 3.5Å; I29-R131 HydrophobicContact CD1-CB 4.42Å; I29-R131 VanDerWaalsContact CD1-CD 3.42Å; I29-R131 HydrophobicContact CD1-CG 3.88Å; V129-R131 HydrophobicContact CG2-CG 4.01Å; R131-S133 PolarHBondContact O-N 2.96Å; R131-H134 PolarHBondContact O-N 2.72Å; R131-E144 PolarHBondContact NH2-O 3.28Å; R131-D149 IonicContact CZ-OD1 2.65Å; R131-D149 IonicContact CZ-OD2 2.7Å; R131-D149 IonicContact NE-OD1 2.78Å; R131-D149 PolarHBondContact NE-OD1 3.32Å; R131-D149 IonicContact NE-OD2 3.83Å; R131-D149 IonicContact NH2-OD1 3.47Å; R131-D149 IonicContact NH2-OD2 3.96Å; R131-D149 PolarHBondContact NH2-OD2 3.46Å
132	K	90.5	Very high	89.1	Confident	114 Å²	114	67 Å²	67	50%	0.496	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-24.7	-172.5	-75.7	178.5	176	170.4	0	113.7	N22 G23 L24 H134	N22-K132 HydrophobicContact CB-CG 3.95Å; N22-K132 PolarHBondContact O-N 2.94Å; G23-K132 WeakPolarHBondContact O-CE 3.42Å; L24-K132 PolarHBondContact O-N 3.22Å; K132-H134 PolarHBondContact O-N 3.36Å
133	S	86.4	Confident	90.2	Very high	69 Å²	69	71.1 Å²	71.1	48%	0.483	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-11.1	178.2	44.7	0	0	0	0	113.8	D26 R131	D26-S133 VanDerWaalsContact OD1-CB 3.28Å; D26-S133 WeakPolarHBondContact OD1-CB 3.49Å; D26-S133 PolarHBondContact OD1-OG 3.2Å; D26-S133 WeakPolarHBondContact OD2-CB 3.29Å; R131-S133 PolarHBondContact O-N 2.96Å
134	H	87.8	Confident	90.9	Very high	88 Å²	88	72.3 Å²	72.3	41%	0.407	33%	0.334	S	S	.	.	S	Bend	trans	-132.2	132.5	-178.7	-170.1	-83.4	0	0	0	111.5	R131 K132 G136 Q138	R131-H134 PolarHBondContact O-N 2.72Å; K132-H134 PolarHBondContact O-N 3.36Å; H134-G136 PolarHBondContact ND1-O 3.17Å; H134-G136 PolarHBondContact O-N 2.89Å; H134-Q138 HydrophobicContact CB-CB 4.45Å
135	Y	81.3	Confident	91.7	Very high	226 Å²	226	71.1 Å²	71.1	89%	0.886	33%	0.326	S	S	*	.	S	Bend	trans	-76.8	117.4	175.7	-173.8	-99.8	0	0	0	110.4
136	G	85.5	Confident	92.1	Very high	30 Å²	30	63.5 Å²	63.5	31%	0.309	29%	0.291	S	S	.	.	S	Bend	trans	76.9	-165.5	-178	0	0	0	0	0	113.5	H134	H134-G136 PolarHBondContact ND1-O 3.17Å; H134-G136 PolarHBondContact O-N 2.89Å
137	I	89.6	Confident	92.3	Very high	70 Å²	70	60.2 Å²	60.2	36%	0.359	27%	0.274	S	S	.	.			trans	-70.6	133	-169.7	-158.7	166.3	0	0	0	112.3	K128 F130 E152	K128-I137 HydrophobicContact CB-CD1 3.7Å; K128-I137 HydrophobicContact CB-CG1 3.92Å; K128-I137 HydrophobicContact CD-CD1 4.25Å; K128-I137 HydrophobicContact CG-CD1 4.45Å; F130-I137 HydrophobicContact CE1-CB 4.3Å; F130-I137 HydrophobicContact CE2-CB 4.47Å; F130-I137 HydrophobicContact CE2-CD1 4.32Å; F130-I137 HydrophobicContact CE2-CG1 4.22Å; F130-I137 HydrophobicContact CZ-CB 4.03Å; F130-I137 HydrophobicContact CZ-CD1 4.4Å; F130-I137 HydrophobicContact CZ-CG1 4.26Å; I137-E152 HydrophobicContact CD1-CB 3.9Å; I137-E152 HydrophobicContact CD1-CG 4.17Å; I137-E152 WeakPolarHBondContact CD1-OE1 3.44Å
138	Q	92.4	Very high	92.4	Very high	59 Å²	59	60.1 Å²	60.1	28%	0.276	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139.6	177	-172	-177.9	10.7	0	0	110	K128 V129 H134 I140	K128-Q138 CarbonylContact C-O 3.51Å; K128-Q138 WeakPolarHBondContact CA-O 3.33Å; V129-Q138 HydrophobicContact CG2-CB 4.21Å; V129-Q138 PolarHBondContact N-O 3.35Å; V129-Q138 PolarHBondContact O-N 3.45Å; H134-Q138 HydrophobicContact CB-CB 4.45Å; Q138-I140 HydrophobicContact CG-CG2 4.01Å
139	R	92.6	Very high	92.5	Very high	180 Å²	180	57.7 Å²	57.7	68%	0.679	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	122.8	170.3	-68.2	179.7	73.4	-176.1	1.3	109.4	I126 A127 K128	I126-R139 HydrophobicContact CG2-CB 4Å; I126-R139 HydrophobicContact CG2-CG 4.4Å; A127-R139 WeakPolarHBondContact O-CA 3.43Å; K128-R139 HydrophobicContact CG-CG 4.45Å
140	I	94.3	Very high	92.5	Very high	13 Å²	13	57.7 Å²	57.7	7%	0.067	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	167.4	178.3	65.1	167.9	0	0	0	110.2	I126 A127 V129 Q138 E144 L145	I126-I140 CarbonylContact C-O 3.5Å; I126-I140 WeakPolarHBondContact CA-O 3.44Å; I126-I140 WeakPolarHBondContact CG2-O 3.49Å; A127-I140 HydrophobicContact CB-CG1 4.34Å; A127-I140 PolarHBondContact N-O 3.15Å; A127-I140 PolarHBondContact O-N 3.39Å; V129-I140 HydrophobicContact CB-CD1 4.49Å; V129-I140 HydrophobicContact CG1-CD1 3.78Å; V129-I140 HydrophobicContact CG1-CG1 4.05Å; V129-I140 HydrophobicContact CG2-CD1 3.87Å; V129-I140 HydrophobicContact CG2-CG1 4Å; V129-I140 HydrophobicContact CG2-CG2 4.01Å; Q138-I140 HydrophobicContact CG-CG2 4.01Å; I140-E144 HydrophobicContact CD1-CB 4.24Å; I140-L145 HydrophobicContact CD1-CD2 4.13Å; I140-L145 HydrophobicContact CD1-CG 4.4Å
141	K	94.7	Very high	92.6	Very high	110 Å²	110	57 Å²	57	48%	0.478	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	137.3	170.1	-65.7	-176.3	174.8	-173.6	0	109.5	E125 R143 E144	E125-K141 WeakPolarHBondContact O-CA 3.47Å; K141-R143 HydrophobicContact CB-CG 4.13Å; K141-R143 PolarHBondContact O-N 2.92Å; K141-E144 HydrophobicContact CB-CG 4.17Å; K141-E144 WeakPolarHBondContact O-CB 3.49Å; K141-E144 PolarHBondContact O-N 3.32Å
142	A	93.7	Very high	92.8	Very high	5 Å²	5	56.8 Å²	56.8	4%	0.041	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-60.3	-31.2	-177.5	0	0	0	0	0	112.8	N39 P124 E125 A127 E144 L145 P160	N39-A142 WeakPolarHBondContact CB-O 3.3Å; N39-A142 PolarHBondContact ND2-O 3.5Å; P124-A142 HydrophobicContact CG-CB 4.3Å; P124-A142 WeakPolarHBondContact O-CB 3.34Å; E125-A142 PolarHBondContact O-N 2.92Å; A127-A142 HydrophobicContact CB-CB 4.38Å; A142-E144 PolarHBondContact O-N 3.13Å; A142-L145 VanDerWaalsContact O-CB 3.31Å; A142-L145 WeakPolarHBondContact O-CB 3.25Å; A142-L145 WeakPolarHBondContact O-CG 3.23Å; A142-L145 PolarHBondContact O-N 3.27Å; A142-L145 VanDerWaalsContact O-N 3.13Å; A142-P160 HydrophobicContact CB-CB 4.21Å
143	R	94	Very high	93.1	Very high	126 Å²	126	51.5 Å²	51.5	48%	0.475	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-61.2	-19.9	174.7	78.4	177.1	-164	160.4	5.9	114.8	P38 N39 E40 K141 L145	P38-R143 WeakPolarHBondContact CA-O 3.47Å; N39-R143 PolarHBondContact N-O 3.4Å; N39-R143 WeakPolarHBondContact O-CA 3.45Å; E40-R143 HydrophobicContact CB-CB 4.42Å; K141-R143 HydrophobicContact CB-CG 4.13Å; K141-R143 PolarHBondContact O-N 2.92Å; R143-L145 VanDerWaalsContact C-N 3.34Å
144	E	94.8	Very high	93.5	Very high	82 Å²	82	49.6 Å²	49.6	38%	0.383	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-90.9	0.5	-179.5	-63.7	172.1	-170.3	0	0	112.7	R131 I140 K141 A142	R131-E144 PolarHBondContact NH2-O 3.28Å; I140-E144 HydrophobicContact CD1-CB 4.24Å; K141-E144 HydrophobicContact CB-CG 4.17Å; K141-E144 WeakPolarHBondContact O-CB 3.49Å; K141-E144 PolarHBondContact O-N 3.32Å; A142-E144 PolarHBondContact O-N 3.13Å
145	L	95.6	Very high	93.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.231	C	C	.	.			trans	-67.8	143.7	171.3	-76.6	172.6	0	0	0	111.1	N39 A127 V129 I140 A142 R143 D149 V151 P160 A161 V223	N39-L145 HydrophobicContact CB-CB 4.13Å; A127-L145 HydrophobicContact CB-CD1 3.61Å; A127-L145 HydrophobicContact CB-CD2 4.14Å; A127-L145 HydrophobicContact CB-CG 3.92Å; V129-L145 HydrophobicContact CG1-CD2 3.37Å; I140-L145 HydrophobicContact CD1-CD2 4.13Å; I140-L145 HydrophobicContact CD1-CG 4.4Å; A142-L145 VanDerWaalsContact O-CB 3.31Å; A142-L145 WeakPolarHBondContact O-CB 3.25Å; A142-L145 WeakPolarHBondContact O-CG 3.23Å; A142-L145 PolarHBondContact O-N 3.27Å; A142-L145 VanDerWaalsContact O-N 3.13Å; R143-L145 VanDerWaalsContact C-N 3.34Å; L145-D149 HydrophobicContact CD2-CB 4.08Å; L145-V151 HydrophobicContact CD2-CG2 3.66Å; L145-P160 HydrophobicContact CD1-CB 3.56Å; L145-P160 HydrophobicContact CD1-CG 3.57Å; L145-A161 HydrophobicContact CD1-CB 4.25Å; L145-V223 HydrophobicContact CD2-CG2 4.4Å
146	V	96.2	Very high	94.2	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.006	22%	0.22	C	C	.	.			trans	-131.6	154.4	175.1	-66	0	0	0	0	111.4	L24 I29 Q32 T33 G148 D149	L24-V146 HydrophobicContact CD1-CG2 3.91Å; I29-V146 HydrophobicContact CG2-CG2 4.46Å; Q32-V146 HydrophobicContact CB-CB 3.71Å; Q32-V146 HydrophobicContact CB-CG1 4.16Å; Q32-V146 HydrophobicContact CB-CG2 3.85Å; Q32-V146 HydrophobicContact CG-CG2 4.46Å; T33-V146 WeakPolarHBondContact OG1-CG1 3.38Å; V146-G148 PolarHBondContact O-N 2.92Å; V146-D149 PolarHBondContact N-OD2 3.27Å; V146-D149 VanDerWaalsContact N-OD2 3.13Å; V146-D149 WeakPolarHBondContact O-CB 3.15Å; V146-D149 PolarHBondContact O-N 2.89Å; V146-D149 VanDerWaalsContact O-N 3.08Å
147	P	96.5	Very high	94.6	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.019	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	128.3	171.1	-27.2	37.2	0	0	0	111.7	F16 F36 T226	F16-P147 HydrophobicContact CD1-CB 4.43Å; F16-P147 HydrophobicContact CE1-CB 3.68Å; F16-P147 HydrophobicContact CZ-CB 4.21Å; F36-P147 HydrophobicContact CB-CG 4.23Å; F36-P147 HydrophobicContact CD1-CG 4.23Å; F36-P147 HydrophobicContact CD2-CB 4.1Å; F36-P147 HydrophobicContact CD2-CG 3.59Å; F36-P147 HydrophobicContact CE2-CB 3.93Å; F36-P147 HydrophobicContact CE2-CG 3.87Å; F36-P147 HydrophobicContact CG-CG 3.78Å; F36-P147 HydrophobicContact CZ-CB 4.43Å; F36-P147 HydrophobicContact CZ-CG 4.33Å; P147-T226 HydrophobicContact CG-CG2 4.17Å
148	G	95.4	Very high	94.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.7	-16.9	-174.2	0	0	0	0	0	115.2	S18 V146 V223	S18-G148 WeakPolarHBondContact CB-O 3.37Å; S18-G148 PolarHBondContact OG-O 2.79Å; V146-G148 PolarHBondContact O-N 2.92Å; G148-V223 PolarHBondContact N-O 3.4Å
149	D	96.4	Very high	94.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.201	C	C	.	.			trans	-61.1	140.8	175.8	-90.2	-29.2	0	0	0	110.8	R131 L145 V146 I222 V223	R131-D149 IonicContact CZ-OD1 2.65Å; R131-D149 IonicContact CZ-OD2 2.7Å; R131-D149 IonicContact NE-OD1 2.78Å; R131-D149 PolarHBondContact NE-OD1 3.32Å; R131-D149 IonicContact NE-OD2 3.83Å; R131-D149 IonicContact NH2-OD1 3.47Å; R131-D149 IonicContact NH2-OD2 3.96Å; R131-D149 PolarHBondContact NH2-OD2 3.46Å; L145-D149 HydrophobicContact CD2-CB 4.08Å; V146-D149 PolarHBondContact N-OD2 3.27Å; V146-D149 VanDerWaalsContact N-OD2 3.13Å; V146-D149 WeakPolarHBondContact O-CB 3.15Å; V146-D149 PolarHBondContact O-N 2.89Å; V146-D149 VanDerWaalsContact O-N 3.08Å; D149-I222 CarbonylContact O-C 3.59Å; D149-I222 WeakPolarHBondContact O-CA 3.5Å; D149-V223 HydrophobicContact CB-CG2 4.09Å; D149-V223 PolarHBondContact O-N 2.97Å
150	I	97	Very high	95.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	114.8	172.8	-54.8	-59.3	0	0	0	108.1	L13 D19 V129 F130 I166 I222	L13-I150 HydrophobicContact CD2-CD1 4.06Å; D19-I150 WeakPolarHBondContact O-CG1 3.45Å; V129-I150 CarbonylContact C-O 3.41Å; V129-I150 VanDerWaalsContact CA-O 3.24Å; V129-I150 WeakPolarHBondContact CA-O 3.43Å; F130-I150 HydrophobicContact CB-CB 4.26Å; F130-I150 HydrophobicContact CB-CG2 4.44Å; F130-I150 HydrophobicContact CD2-CG2 4.17Å; F130-I150 PolarHBondContact N-O 2.99Å; I150-I166 HydrophobicContact CD1-CD1 3.57Å; I150-I222 HydrophobicContact CD1-CB 3.91Å; I150-I222 HydrophobicContact CD1-CD1 4.16Å; I150-I222 HydrophobicContact CD1-CG1 4.16Å
151	V	96.9	Very high	95.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.8	-175.8	176.6	0	0	0	0	109.6	K128 V129 L145 V153 P160 M163 R220 G221 V223	K128-V151 WeakPolarHBondContact O-CA 3.46Å; K128-V151 WeakPolarHBondContact O-CG1 3.44Å; V129-V151 HydrophobicContact CG1-CG2 4.07Å; L145-V151 HydrophobicContact CD2-CG2 3.66Å; V151-V153 HydrophobicContact CG1-CG1 4.11Å; V151-P160 HydrophobicContact CG1-CG 4.02Å; V151-M163 HydrophobicContact CB-CE 3.62Å; V151-M163 HydrophobicContact CB-SD 4.28Å; V151-M163 HydrophobicContact CG1-CE 3.93Å; V151-M163 HydrophobicContact CG1-SD 4.14Å; V151-M163 WeakPolarHBondContact O-CE 3.24Å; V151-R220 CarbonylContact O-C 3.52Å; V151-R220 WeakPolarHBondContact O-CA 3.39Å; V151-G221 PolarHBondContact N-O 3.03Å; V151-G221 PolarHBondContact O-N 2.85Å; V151-V223 HydrophobicContact CG2-CG2 3.47Å; V151-V223 VanDerWaalsContact CG2-CG2 3.47Å
152	E	96.9	Very high	95.3	Very high	16 Å²	16	26.3 Å²	26.3	8%	0.075	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131.8	171.7	-178.8	174.3	107.2	0	0	110.4	K128 F130 I137 K218 A219 R220	K128-E152 PolarHBondContact O-N 3.42Å; F130-E152 HydrophobicContact CE2-CB 3.94Å; I137-E152 HydrophobicContact CD1-CB 3.9Å; I137-E152 HydrophobicContact CD1-CG 4.17Å; I137-E152 WeakPolarHBondContact CD1-OE1 3.44Å; E152-K218 VanDerWaalsContact CD-NZ 3.35Å; E152-K218 WeakPolarHBondContact OE1-CE 3.27Å; E152-K218 IonicContact OE1-NZ 3.88Å; E152-K218 PolarHBondContact OE1-NZ 3.18Å; E152-K218 WeakPolarHBondContact OE2-CE 3.4Å; E152-K218 IonicContact OE2-NZ 2.86Å; E152-A219 WeakPolarHBondContact CA-O 3.27Å; E152-R220 HydrophobicContact CB-CG 4.16Å; E152-R220 HydrophobicContact CG-CG 4.22Å; E152-R220 IonicContact OE2-CZ 3.58Å; E152-R220 IonicContact OE2-NE 2.73Å; E152-R220 PolarHBondContact OE2-NE 2.95Å; E152-R220 VanDerWaalsContact OE2-NE 3.16Å; E152-R220 IonicContact OE2-NH2 3.64Å
153	V	96.7	Very high	95.4	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.018	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	146	178	-61.9	0	0	0	0	109.9	V151 M163 L208 I214 K218 A219	V151-V153 HydrophobicContact CG1-CG1 4.11Å; V153-M163 HydrophobicContact CG1-SD 4.13Å; V153-L208 HydrophobicContact CG2-CD1 3.62Å; V153-I214 HydrophobicContact CB-CD1 4.29Å; V153-I214 HydrophobicContact CB-CG1 3.91Å; V153-I214 HydrophobicContact CG2-CD1 3.86Å; V153-I214 HydrophobicContact CG2-CG1 3.95Å; V153-K218 WeakPolarHBondContact O-CA 3.43Å; V153-A219 HydrophobicContact CG2-CB 4.49Å; V153-A219 PolarHBondContact N-O 2.94Å; V153-A219 PolarHBondContact O-N 3.17Å
154	S	95.5	Very high	95.6	Very high	30 Å²	30	20.1 Å²	20.1	21%	0.21	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	164.8	-177.9	51.2	0	0	0	0	110.4	K128 G156 D157 I214 G217	K128-S154 PolarHBondContact NZ-OG 3.37Å; S154-G156 PolarHBondContact O-N 3.3Å; S154-D157 WeakPolarHBondContact CA-OD2 3.28Å; S154-D157 PolarHBondContact N-OD2 2.86Å; S154-D157 VanDerWaalsContact O-CB 3.24Å; S154-D157 WeakPolarHBondContact O-CB 3.3Å; S154-D157 VanDerWaalsContact O-CG 3.32Å; S154-D157 PolarHBondContact O-N 3.04Å; S154-D157 PolarHBondContact OG-OD2 2.77Å; S154-I214 WeakPolarHBondContact O-CB 3.26Å; S154-G217 CarbonylContact C-O 3.57Å; S154-G217 WeakPolarHBondContact CA-O 3.33Å
155	V	94.2	Very high	95.7	Very high	93 Å²	93	16.2 Å²	16.2	56%	0.564	10%	0.104	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.5	130.2	177.5	61.5	0	0	0	0	112.5	D157 A215 G217	V155-D157 VanDerWaalsContact C-N 3.32Å; V155-A215 WeakPolarHBondContact CG2-O 3.44Å; V155-G217 PolarHBondContact N-O 3.12Å
156	G	89.7	Confident	95.7	Very high	65 Å²	65	17.5 Å²	17.5	67%	0.67	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.7	-13.3	-176.9	0	0	0	0	0	115.1	S154 I214	S154-G156 PolarHBondContact O-N 3.3Å; G156-I214 PolarHBondContact N-O 3.21Å
157	D	93.4	Very high	95.6	Very high	37 Å²	37	22.7 Å²	22.7	20%	0.198	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-73.3	140	174.9	-63.4	-36.4	0	0	0	111.2	K128 S154 V155 I214	K128-D157 WeakPolarHBondContact CE-OD1 3.34Å; K128-D157 IonicContact NZ-OD1 3.21Å; K128-D157 PolarHBondContact NZ-OD1 2.87Å; K128-D157 IonicContact NZ-OD2 2.64Å; K128-D157 PolarHBondContact NZ-OD2 3.1Å; S154-D157 WeakPolarHBondContact CA-OD2 3.28Å; S154-D157 PolarHBondContact N-OD2 2.86Å; S154-D157 VanDerWaalsContact O-CB 3.24Å; S154-D157 WeakPolarHBondContact O-CB 3.3Å; S154-D157 VanDerWaalsContact O-CG 3.32Å; S154-D157 PolarHBondContact O-N 3.04Å; S154-D157 PolarHBondContact OG-OD2 2.77Å; V155-D157 VanDerWaalsContact C-N 3.32Å; D157-I214 PolarHBondContact O-N 3.16Å
158	K	93.1	Very high	95.4	Very high	78 Å²	78	23.8 Å²	23.8	34%	0.339	14%	0.139	S	C	.	.	B	Isolated β-bridge	trans	-77.7	132.2	160.2	-88.6	174.1	178.9	-177	0	109.1	E121 P124 P160 T212 N213	E121-K158 PolarHBondContact O-NZ 3.35Å; P124-K158 HydrophobicContact CB-CB 3.93Å; P124-K158 HydrophobicContact CG-CB 4.16Å; K158-P160 WeakPolarHBondContact O-CD 3.34Å; K158-T212 WeakPolarHBondContact CA-O 3.28Å; K158-N213 WeakPolarHBondContact CG-OD1 3.34Å
159	V	96.3	Very high	95.2	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-70	122.5	176.7	176.4	0	0	0	0	108.7	A161 M163 L208 F209 S210 G211 T212 I214	V159-A161 WeakPolarHBondContact CG1-O 3.34Å; V159-M163 HydrophobicContact CG1-CG 4.34Å; V159-M163 HydrophobicContact CG1-SD 4.09Å; V159-L208 HydrophobicContact CG1-CB 3.88Å; V159-L208 HydrophobicContact CG2-CB 4.1Å; V159-F209 VanDerWaalsContact CB-O 3.24Å; V159-F209 WeakPolarHBondContact CB-O 3.3Å; V159-F209 VanDerWaalsContact CG1-O 3.24Å; V159-F209 WeakPolarHBondContact CG1-O 3.5Å; V159-S210 WeakPolarHBondContact O-CA 3.23Å; V159-G211 PolarHBondContact O-N 3.32Å; V159-T212 WeakPolarHBondContact CB-O 3.46Å; V159-T212 WeakPolarHBondContact CG2-O 3.3Å; V159-T212 WeakPolarHBondContact CG2-OG1 3.4Å; V159-T212 PolarHBondContact N-O 3.35Å; V159-I214 HydrophobicContact CG2-CD1 3.76Å; V159-I214 HydrophobicContact CG2-CG1 4.41Å
160	P	95.7	Very high	94.9	Very high	6 Å²	6	29.9 Å²	29.9	4%	0.039	17%	0.172	C	C	.	.			trans	-87.5	-16.6	-168.2	34.5	-38.2	0	0	0	114.9	N39 P124 A127 A142 L145 V151 K158 S210	N39-P160 PolarHBondContact ND2-O 2.98Å; P124-P160 HydrophobicContact CG-CB 3.63Å; A127-P160 HydrophobicContact CB-CB 4.02Å; A127-P160 HydrophobicContact CB-CG 3.98Å; A142-P160 HydrophobicContact CB-CB 4.21Å; L145-P160 HydrophobicContact CD1-CB 3.56Å; L145-P160 HydrophobicContact CD1-CG 3.57Å; V151-P160 HydrophobicContact CG1-CG 4.02Å; K158-P160 WeakPolarHBondContact O-CD 3.34Å; P160-S210 PolarHBondContact O-OG 2.8Å
161	A	96.2	Very high	94.2	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.008	18%	0.182	C	C	.	.	S	Bend	trans	-159.7	163.8	179.7	0	0	0	0	0	109	L145 V159 M163 V223 T226	L145-A161 HydrophobicContact CD1-CB 4.25Å; V159-A161 WeakPolarHBondContact CG1-O 3.34Å; A161-M163 PolarHBondContact O-N 3.14Å; A161-V223 HydrophobicContact CB-CG1 3.76Å; A161-V223 HydrophobicContact CB-CG2 4.32Å; A161-T226 HydrophobicContact CB-CG2 4.2Å
162	D	96.9	Very high	93.8	Very high	6 Å²	6	31.8 Å²	31.8	3%	0.032	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	125.9	173.5	-72.9	3.2	0	0	0	109.3	L208 F209 S210 V224 S225 T230 E231	D162-L208 CarbonylContact C-O 3.6Å; D162-L208 WeakPolarHBondContact CA-O 3.5Å; D162-F209 VanDerWaalsContact OD1-CA 3.3Å; D162-F209 WeakPolarHBondContact OD1-CA 3.37Å; D162-S210 PolarHBondContact OD1-N 3.37Å; D162-V224 HydrophobicContact CB-CG2 4.14Å; D162-V224 WeakPolarHBondContact O-CG2 3.42Å; D162-V224 PolarHBondContact O-N 3.42Å; D162-S225 PolarHBondContact N-O 3.32Å; D162-S225 PolarHBondContact O-N 3.47Å; D162-T230 HydrophobicContact CB-CG2 4.2Å; D162-T230 VanDerWaalsContact OD2-CA 3.22Å; D162-T230 WeakPolarHBondContact OD2-CA 3.32Å; D162-E231 PolarHBondContact OD2-N 2.9Å
163	M	96.1	Very high	93.6	Very high	1 Å²	1	31 Å²	31	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	140.9	-172.1	59.6	-171.8	-61.7	0	0	112.9	V151 V153 V159 A161 I207 L208 I222	V151-M163 HydrophobicContact CB-CE 3.62Å; V151-M163 HydrophobicContact CB-SD 4.28Å; V151-M163 HydrophobicContact CG1-CE 3.93Å; V151-M163 HydrophobicContact CG1-SD 4.14Å; V151-M163 WeakPolarHBondContact O-CE 3.24Å; V153-M163 HydrophobicContact CG1-SD 4.13Å; V159-M163 HydrophobicContact CG1-CG 4.34Å; V159-M163 HydrophobicContact CG1-SD 4.09Å; A161-M163 PolarHBondContact O-N 3.14Å; M163-I207 CarbonylContact O-C 3.59Å; M163-I207 WeakPolarHBondContact O-CA 3.13Å; M163-L208 HydrophobicContact CE-CD1 4.28Å; M163-L208 HydrophobicContact CG-CB 3.6Å; M163-L208 HydrophobicContact CG-CD1 4Å; M163-L208 HydrophobicContact CG-CG 4.17Å; M163-L208 PolarHBondContact N-O 2.87Å; M163-L208 PolarHBondContact O-N 2.96Å; M163-L208 HydrophobicContact SD-CB 4.25Å; M163-L208 HydrophobicContact SD-CD1 3.83Å; M163-I222 CarbonylContact C-O 3.43Å; M163-I222 WeakPolarHBondContact CA-O 3.34Å; M163-I222 WeakPolarHBondContact CB-O 3.1Å
164	R	97.4	Very high	93.3	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	123.5	173.8	175.8	64.9	169.8	87.9	-3.5	109.4	A4 K7 V12 I166 T191 N206 I207 G221 I222 V224	A4-R164 HydrophobicContact CB-CB 4.48Å; A4-R164 WeakPolarHBondContact O-CD 3.41Å; A4-R164 PolarHBondContact O-NE 3.05Å; K7-R164 PolarHBondContact O-NE 2.88Å; K7-R164 PolarHBondContact O-NH2 3.35Å; V12-R164 HydrophobicContact CG1-CB 4.43Å; V12-R164 HydrophobicContact CG1-CG 4.5Å; V12-R164 HydrophobicContact CG2-CG 4.31Å; R164-I166 PolarHBondContact O-N 2.95Å; R164-T191 VanDerWaalsContact CZ-O 3.24Å; R164-T191 PolarHBondContact NH1-O 3.47Å; R164-T191 PolarHBondContact NH2-O 3.02Å; R164-N206 VanDerWaalsContact CZ-ND2 3.27Å; R164-N206 PolarHBondContact NE-ND2 3.08Å; R164-N206 PolarHBondContact NH2-ND2 3.43Å; R164-I207 HydrophobicContact CB-CD1 4.05Å; R164-G221 CarbonylContact O-C 3.54Å; R164-G221 WeakPolarHBondContact O-CA 3.38Å; R164-I222 HydrophobicContact CB-CG2 3.89Å; R164-I222 HydrophobicContact CG-CG2 4.46Å; R164-I222 PolarHBondContact N-O 3.29Å; R164-I222 PolarHBondContact O-N 2.84Å; R164-V224 HydrophobicContact CB-CG1 3.75Å
165	I	97.3	Very high	93.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	124.1	-178.9	-57.5	169.8	0	0	0	109.2	I168 L173 K189 T191 N206 L208 A219	I165-I168 HydrophobicContact CG2-CG1 3.87Å; I165-L173 HydrophobicContact CD1-CD2 3.91Å; I165-K189 HydrophobicContact CD1-CB 3.53Å; I165-K189 HydrophobicContact CD1-CD 4.34Å; I165-K189 HydrophobicContact CD1-CG 4.04Å; I165-T191 HydrophobicContact CG2-CG2 3.89Å; I165-N206 WeakPolarHBondContact CG1-O 3.41Å; I165-N206 PolarHBondContact N-O 3.46Å; I165-L208 HydrophobicContact CD1-CD2 3.86Å; I165-L208 HydrophobicContact CD1-CG 3.94Å; I165-L208 HydrophobicContact CG1-CD1 4.15Å; I165-L208 HydrophobicContact CG1-CD2 4.25Å; I165-L208 HydrophobicContact CG1-CG 3.76Å; I165-A219 HydrophobicContact CG2-CB 4.39Å
166	I	95.8	Very high	93	Very high	26 Å²	26	29 Å²	29	13%	0.133	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-49.5	176.6	-65.5	165.8	0	0	0	109.2	V9 L13 I150 R164 T191 R220 I222	V9-I166 HydrophobicContact CG1-CB 4.13Å; V9-I166 HydrophobicContact CG1-CG1 4.09Å; V9-I166 HydrophobicContact CG1-CG2 3.72Å; L13-I166 HydrophobicContact CD2-CD1 3.96Å; I150-I166 HydrophobicContact CD1-CD1 3.57Å; R164-I166 PolarHBondContact O-N 2.95Å; I166-T191 WeakPolarHBondContact O-CG2 3.43Å; I166-R220 PolarHBondContact N-O 3.22Å; I166-I222 HydrophobicContact CD1-CB 3.85Å; I166-I222 HydrophobicContact CD1-CG2 4.11Å; I166-I222 HydrophobicContact CG1-CB 4.4Å; I166-I222 HydrophobicContact CG1-CG2 4.12Å
167	K	94	Very high	92.9	Very high	110 Å²	110	26 Å²	26	48%	0.478	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	130.7	-172.3	-172.5	173.6	-178.3	176.9	0	110.2	A219 R220	K167-A219 CarbonylContact O-C 3.59Å; K167-A219 WeakPolarHBondContact O-CA 3.3Å; K167-R220 PolarHBondContact N-O 3.45Å; K167-R220 VanDerWaalsContact N-O 3.16Å; K167-R220 PolarHBondContact O-N 2.97Å
168	I	92.9	Very high	92.4	Very high	27 Å²	27	25.8 Å²	25.8	14%	0.138	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	123.3	169	-56.7	173.7	0	0	0	106.8	I165 S170 L173 K189 T191 A219	I165-I168 HydrophobicContact CG2-CG1 3.87Å; I168-S170 VanDerWaalsContact CG2-O 3.29Å; I168-S170 WeakPolarHBondContact CG2-O 3.35Å; I168-L173 HydrophobicContact CD1-CB 4.19Å; I168-L173 HydrophobicContact CG1-CB 4.34Å; I168-L173 HydrophobicContact CG2-CB 3.9Å; I168-K189 WeakPolarHBondContact CD1-O 3.29Å; I168-T191 HydrophobicContact CG1-CG2 4.21Å; I168-A219 HydrophobicContact CG1-CB 4.46Å
169	M	90.6	Very high	92	Very high	89 Å²	89	22.7 Å²	22.7	44%	0.438	12%	0.118	S	C	.	.			trans	-91.8	-22.8	-176.4	-58.8	-171.9	77.2	0	0	112.5	K218 R220	M169-K218 HydrophobicContact CB-CB 4.35Å; M169-K218 HydrophobicContact CB-CG 4.28Å; M169-K218 PolarHBondContact N-O 3.33Å; M169-K218 HydrophobicContact SD-CD 4.2Å; M169-K218 HydrophobicContact SD-CG 4.31Å; M169-R220 HydrophobicContact SD-CG 4.22Å
170	S	89.5	Confident	91.3	Very high	38 Å²	38	22.8 Å²	22.8	27%	0.266	12%	0.119	S	C	.	.	S	Bend	trans	-91.5	172.3	170.6	52.4	0	0	0	0	111.7	I168 T172 G217 K218	I168-S170 VanDerWaalsContact CG2-O 3.29Å; I168-S170 WeakPolarHBondContact CG2-O 3.35Å; S170-T172 VanDerWaalsContact C-N 3.33Å; S170-T172 PolarHBondContact O-N 2.98Å; S170-T172 PolarHBondContact OG-O 3.23Å; S170-G217 WeakPolarHBondContact OG-CA 3.36Å; S170-K218 PolarHBondContact N-O 3.43Å; S170-K218 PolarHBondContact OG-N 2.85Å; S170-K218 PolarHBondContact OG-O 3.28Å
171	T	84.2	Confident	90.5	Very high	34 Å²	34	23 Å²	23	21%	0.209	12%	0.12	C	C	.	.	S	Bend	trans	-61.3	-41.8	174.8	-59.5	0	0	0	0	112.5	E486 S590	T171-E486 WeakPolarHBondContact CB-OE1 3.5Å; T171-E486 HydrophobicContact CG2-CG 3.97Å; T171-E486 PolarHBondContact OG1-OE1 3.44Å; T171-S590 VanDerWaalsContact CG2-CB 3.44Å; T171-S590 WeakPolarHBondContact CG2-OG 3.18Å
172	T	87.7	Confident	89.3	Confident	7 Å²	7	23.1 Å²	23.1	4%	0.043	12%	0.121	C	C	.	.			trans	-135.5	151.5	171.6	61.6	0	0	0	0	111	S170 I188 F487 R489	S170-T172 VanDerWaalsContact C-N 3.33Å; S170-T172 PolarHBondContact O-N 2.98Å; S170-T172 PolarHBondContact OG-O 3.23Å; T172-I188 HydrophobicContact CG2-CG2 4.5Å; T172-F487 WeakPolarHBondContact CG2-O 3.42Å; T172-R489 HydrophobicContact CG2-CG 4.26Å
173	L	92.3	Very high	88.3	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.129	C	C	.	.			trans	-110.8	125	166.2	-175.7	72.3	0	0	0	107.5	I165 I168 V175 I188 K189 L208 I214 A219	I165-L173 HydrophobicContact CD1-CD2 3.91Å; I168-L173 HydrophobicContact CD1-CB 4.19Å; I168-L173 HydrophobicContact CG1-CB 4.34Å; I168-L173 HydrophobicContact CG2-CB 3.9Å; L173-V175 HydrophobicContact CD2-CG2 4.34Å; L173-V175 HydrophobicContact CG-CG2 4.2Å; L173-I188 WeakPolarHBondContact O-CA 3.47Å; L173-K189 HydrophobicContact CB-CB 4.33Å; L173-K189 HydrophobicContact CD2-CB 3.97Å; L173-K189 HydrophobicContact CD2-CG 4.29Å; L173-K189 HydrophobicContact CG-CB 4.42Å; L173-K189 PolarHBondContact O-N 3.28Å; L173-L208 HydrophobicContact CD2-CD1 4.36Å; L173-L208 HydrophobicContact CD2-CD2 3.88Å; L173-I214 HydrophobicContact CD1-CG2 3.85Å; L173-A219 HydrophobicContact CD1-CB 3.93Å; L173-A219 HydrophobicContact CD2-CB 3.56Å; L173-A219 HydrophobicContact CG-CB 4.28Å
174	R	90.9	Very high	87.1	Confident	38 Å²	38	26 Å²	26	14%	0.143	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133.2	176.3	-58.8	-169.7	-177.7	-170.4	3.3	109.5	S186 V187 I188 A215 A216 E439 F487	R174-S186 WeakPolarHBondContact CD-OG 3.3Å; R174-V187 WeakPolarHBondContact CA-O 3.35Å; R174-I188 HydrophobicContact CG-CG1 4.41Å; R174-A215 HydrophobicContact CB-CB 4.27Å; R174-A215 PolarHBondContact O-N 2.79Å; R174-A216 HydrophobicContact CB-CB 4.06Å; R174-A216 HydrophobicContact CG-CB 4.27Å; R174-A216 PolarHBondContact N-O 3.32Å; R174-A216 PolarHBondContact O-N 3.1Å; R174-A216 VanDerWaalsContact O-N 3.13Å; R174-E439 WeakPolarHBondContact CD-OE1 3.36Å; R174-E439 IonicContact CZ-OE1 2.91Å; R174-E439 IonicContact NH1-OE1 3.02Å; R174-E439 PolarHBondContact NH1-OE1 3.33Å; R174-F487 VanDerWaalsContact NH2-CB 3.35Å
175	V	92.4	Very high	86.2	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	129.5	-174.2	-173.7	0	0	0	0	108.7	L173 Q177 S186 V187 K189 L208 N213 I214	L173-V175 HydrophobicContact CD2-CG2 4.34Å; L173-V175 HydrophobicContact CG-CG2 4.2Å; V175-Q177 HydrophobicContact CB-CG 4.26Å; V175-Q177 HydrophobicContact CG1-CG 3.84Å; V175-Q177 PolarHBondContact O-N 2.91Å; V175-S186 CarbonylContact O-C 3.52Å; V175-S186 WeakPolarHBondContact O-CA 3.46Å; V175-V187 PolarHBondContact N-O 3.45Å; V175-V187 PolarHBondContact O-N 2.86Å; V175-K189 HydrophobicContact CB-CG 4.39Å; V175-K189 HydrophobicContact CG2-CD 4.48Å; V175-K189 HydrophobicContact CG2-CG 3.6Å; V175-L208 HydrophobicContact CG2-CD2 3.5Å; V175-N213 CarbonylContact C-O 3.33Å; V175-N213 WeakPolarHBondContact CA-O 3.44Å; V175-N213 WeakPolarHBondContact CG1-O 3.27Å; V175-I214 HydrophobicContact CG1-CD1 4.43Å; V175-I214 HydrophobicContact CG2-CD1 3.95Å
176	D	89.9	Confident	85.6	Confident	46 Å²	46	28.3 Å²	28.3	25%	0.246	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	112.4	167.2	-179.4	-2.5	0	0	0	108.7	S178 T212 N213	D176-S178 WeakPolarHBondContact OD1-CB 3.46Å; D176-S178 PolarHBondContact OD1-N 2.98Å; D176-S178 PolarHBondContact OD1-OG 3.21Å; D176-T212 WeakPolarHBondContact O-CB 3.49Å; D176-N213 HydrophobicContact CB-CB 4.37Å; D176-N213 PolarHBondContact N-O 3.3Å; D176-N213 PolarHBondContact O-N 3.01Å
177	Q	89	Confident	85.2	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.157	C	C	.	.			trans	-111.7	20.6	179.9	-53	-170.3	128.7	0	0	112.1	V175 I179 L180 T181 F209 T212	V175-Q177 HydrophobicContact CB-CG 4.26Å; V175-Q177 HydrophobicContact CG1-CG 3.84Å; V175-Q177 PolarHBondContact O-N 2.91Å; Q177-I179 PolarHBondContact O-N 3.22Å; Q177-I179 VanDerWaalsContact O-N 3.16Å; Q177-L180 PolarHBondContact O-N 2.89Å; Q177-T181 HydrophobicContact CB-CG2 4.18Å; Q177-T181 PolarHBondContact O-N 3.41Å; Q177-T181 PolarHBondContact O-OG1 3.27Å; Q177-F209 VanDerWaalsContact OE1-CD2 3.32Å; Q177-T212 HydrophobicContact CB-CG2 4.32Å; Q177-T212 HydrophobicContact CG-CG2 4.29Å
178	S	81.9	Confident	85	Confident	33 Å²	33	25.4 Å²	25.4	23%	0.231	14%	0.143	C	C	.	.	H	α-helix	trans	-51.4	-38.1	-179.3	49.2	0	0	0	0	112.3	D176 L180 T181 G182 E183	D176-S178 WeakPolarHBondContact OD1-CB 3.46Å; D176-S178 PolarHBondContact OD1-N 2.98Å; D176-S178 PolarHBondContact OD1-OG 3.21Å; S178-L180 VanDerWaalsContact C-N 3.28Å; S178-L180 PolarHBondContact O-N 2.92Å; S178-T181 PolarHBondContact O-N 3.46Å; S178-G182 VanDerWaalsContact O-CA 3.29Å; S178-G182 WeakPolarHBondContact O-CA 3.3Å; S178-G182 PolarHBondContact O-N 3.16Å; S178-E183 WeakPolarHBondContact CA-O 3.29Å
179	I	84.5	Confident	84.9	Confident	12 Å²	12	24.1 Å²	24.1	6%	0.062	14%	0.136	C	C	.	.	H	α-helix	trans	-58.9	-33.6	178.9	59.1	147.5	0	0	0	114.1	Y122 Q177 G211 T212 I232 V714 N715	Y122-I179 HydrophobicContact CD1-CG2 4.09Å; Y122-I179 HydrophobicContact CE1-CG2 3.71Å; Q177-I179 PolarHBondContact O-N 3.22Å; Q177-I179 VanDerWaalsContact O-N 3.16Å; I179-G211 WeakPolarHBondContact CD1-O 3.43Å; I179-T212 HydrophobicContact CD1-CG2 4.01Å; I179-T212 HydrophobicContact CG1-CG2 3.93Å; I179-I232 HydrophobicContact CD1-CD1 4.47Å; I179-V714 HydrophobicContact CB-CB 4.28Å; I179-V714 HydrophobicContact CB-CG2 4.11Å; I179-V714 HydrophobicContact CG2-CG2 4.24Å; I179-V714 WeakPolarHBondContact O-CB 3.35Å; I179-V714 PolarHBondContact O-N 3.42Å; I179-N715 PolarHBondContact O-N 3.29Å; I179-N715 PolarHBondContact O-OD1 3.32Å
180	L	82.9	Confident	84.9	Confident	3 Å²	3	22.9 Å²	22.9	2%	0.016	13%	0.129	C	C	.	.	H	α-helix	trans	-101.9	-18.8	-177.1	-67.1	176.6	0	0	0	112.8	Q177 S178 F209 T212 E231 I235 N715	Q177-L180 PolarHBondContact O-N 2.89Å; S178-L180 VanDerWaalsContact C-N 3.28Å; S178-L180 PolarHBondContact O-N 2.92Å; L180-F209 HydrophobicContact CD1-CB 3.3Å; L180-F209 HydrophobicContact CD1-CD1 4.27Å; L180-F209 HydrophobicContact CD1-CD2 3.92Å; L180-F209 HydrophobicContact CD1-CG 3.6Å; L180-T212 HydrophobicContact CD1-CG2 4.1Å; L180-E231 HydrophobicContact CD1-CB 4.29Å; L180-E231 HydrophobicContact CD2-CB 4.47Å; L180-I235 HydrophobicContact CD2-CD1 3.58Å; L180-N715 WeakPolarHBondContact O-CB 3.21Å
181	T	78	Confident	85	Confident	9 Å²	9	23.1 Å²	23.1	6%	0.055	13%	0.128	C	C	.	.	H	α-helix	trans	-122.1	-13.9	-169.8	63.9	0	0	0	0	114	Q177 S178 E183 Q202	Q177-T181 HydrophobicContact CB-CG2 4.18Å; Q177-T181 PolarHBondContact O-N 3.41Å; Q177-T181 PolarHBondContact O-OG1 3.27Å; S178-T181 PolarHBondContact O-N 3.46Å; T181-E183 PolarHBondContact O-N 3.37Å; T181-E183 PolarHBondContact OG1-N 2.84Å; T181-Q202 HydrophobicContact CG2-CG 3.85Å
182	G	71.8	Confident	85.3	Confident	4 Å²	4	26.9 Å²	26.9	4%	0.041	15%	0.148	C	C	.	.	S	Bend	trans	73.9	-8.9	-169.6	0	0	0	0	0	114.3	S178	S178-G182 VanDerWaalsContact O-CA 3.29Å; S178-G182 WeakPolarHBondContact O-CA 3.3Å; S178-G182 PolarHBondContact O-N 3.16Å
183	E	75	Confident	85.4	Confident	43 Å²	43	28.5 Å²	28.5	20%	0.201	16%	0.161	C	C	.	.			trans	-93.1	116.5	-171.2	-65.7	-61.5	140	0	0	112.3	S178 T181 V185 T353	S178-E183 WeakPolarHBondContact CA-O 3.29Å; T181-E183 PolarHBondContact O-N 3.37Å; T181-E183 PolarHBondContact OG1-N 2.84Å; E183-V185 PolarHBondContact O-N 2.82Å; E183-T353 PolarHBondContact OE1-OG1 3.41Å
184	S	71.7	Confident	85.3	Confident	26 Å²	26	29.7 Å²	29.7	18%	0.182	17%	0.168	C	C	.	.			trans	-73.3	-3.6	-179.5	-46.3	0	0	0	0	114.9	N359	S184-N359 VanDerWaalsContact OG-CG 3.31Å; S184-N359 PolarHBondContact OG-ND2 3.15Å; S184-N359 PolarHBondContact OG-OD1 2.91Å
185	V	77.2	Confident	85.1	Confident	32 Å²	32	33.5 Å²	33.5	19%	0.194	20%	0.198	C	C	.	.	S	Bend	trans	-89.9	129.6	-179.3	179.6	0	0	0	0	108.8	E183 V187 A440	E183-V185 PolarHBondContact O-N 2.82Å; V185-V187 PolarHBondContact O-N 2.81Å; V185-A440 HydrophobicContact CG2-CB 4.48Å
186	S	86.2	Confident	84.7	Confident	17 Å²	17	35.4 Å²	35.4	12%	0.119	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-64.3	137.9	-179.9	79.5	0	0	0	0	111.3	R174 V175 E439	R174-S186 WeakPolarHBondContact CD-OG 3.3Å; V175-S186 CarbonylContact O-C 3.52Å; V175-S186 WeakPolarHBondContact O-CA 3.46Å; S186-E439 WeakPolarHBondContact CB-OE1 3.48Å; S186-E439 VanDerWaalsContact OG-CD 3.32Å; S186-E439 PolarHBondContact OG-OE1 3.34Å; S186-E439 PolarHBondContact OG-OE2 3.06Å
187	V	87.3	Confident	84.4	Confident	37 Å²	37	37.5 Å²	37.5	22%	0.224	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	130.1	179.7	-177.5	0	0	0	0	109.1	R174 V175 V185	R174-V187 WeakPolarHBondContact CA-O 3.35Å; V175-V187 PolarHBondContact N-O 3.45Å; V175-V187 PolarHBondContact O-N 2.86Å; V185-V187 PolarHBondContact O-N 2.81Å
188	I	88.3	Confident	84.1	Confident	37 Å²	37	45.7 Å²	45.7	19%	0.19	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	130.9	175.6	-45.2	-176.8	0	0	0	109.6	T172 L173 R174 F190 F487 R489	T172-I188 HydrophobicContact CG2-CG2 4.5Å; L173-I188 WeakPolarHBondContact O-CA 3.47Å; R174-I188 HydrophobicContact CG-CG1 4.41Å; I188-F190 VanDerWaalsContact O-CE2 3.31Å; I188-F190 WeakPolarHBondContact O-CE2 3.27Å; I188-F487 HydrophobicContact CD1-CD1 3.8Å; I188-F487 HydrophobicContact CD1-CE1 3.23Å; I188-F487 HydrophobicContact CD1-CZ 4.04Å; I188-R489 HydrophobicContact CD1-CG 4.48Å; I188-R489 VanDerWaalsContact CG2-CD 3.49Å; I188-R489 HydrophobicContact CG2-CG 3.65Å
189	K	91.6	Very high	84.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-101.9	160.3	-176.5	-64.1	-68	-177.5	167.5	0	113.5	I165 I168 L173 V175 K204 K205 I207 L208 R489	I165-K189 HydrophobicContact CD1-CB 3.53Å; I165-K189 HydrophobicContact CD1-CD 4.34Å; I165-K189 HydrophobicContact CD1-CG 4.04Å; I168-K189 WeakPolarHBondContact CD1-O 3.29Å; L173-K189 HydrophobicContact CB-CB 4.33Å; L173-K189 HydrophobicContact CD2-CB 3.97Å; L173-K189 HydrophobicContact CD2-CG 4.29Å; L173-K189 HydrophobicContact CG-CB 4.42Å; L173-K189 PolarHBondContact O-N 3.28Å; V175-K189 HydrophobicContact CB-CG 4.39Å; V175-K189 HydrophobicContact CG2-CD 4.48Å; V175-K189 HydrophobicContact CG2-CG 3.6Å; K189-K204 PolarHBondContact NZ-O 2.78Å; K189-K205 CarbonylContact C-O 3.34Å; K189-K205 WeakPolarHBondContact CA-O 3.28Å; K189-K205 WeakPolarHBondContact CB-O 3.39Å; K189-K205 WeakPolarHBondContact CD-O 3.48Å; K189-I207 VanDerWaalsContact CE-O 3.25Å; K189-I207 WeakPolarHBondContact CE-O 3.48Å; K189-I207 PolarHBondContact NZ-O 2.86Å; K189-L208 HydrophobicContact CD-CD2 4.47Å; K189-L208 HydrophobicContact CG-CD2 4.08Å; K189-R489 PolarHBondContact O-NH1 3.2Å
190	F	90.2	Very high	84.1	Confident	64 Å²	64	45 Å²	45	28%	0.281	25%	0.251	S	S	.	.			trans	-137.3	166.2	-174.2	-57.7	-105.9	0	0	0	111.3	I188 K205 N206 R489	I188-F190 VanDerWaalsContact O-CE2 3.31Å; I188-F190 WeakPolarHBondContact O-CE2 3.27Å; F190-K205 HydrophobicContact CD2-CB 3.7Å; F190-K205 HydrophobicContact CD2-CD 3.99Å; F190-K205 HydrophobicContact CD2-CG 4.48Å; F190-K205 HydrophobicContact CE2-CB 4.31Å; F190-K205 HydrophobicContact CE2-CD 3.78Å; F190-K205 PolarHBondContact N-O 2.76Å; F190-N206 WeakPolarHBondContact O-CA 3.43Å; F190-N206 VanDerWaalsContact O-CB 3.25Å; F190-N206 WeakPolarHBondContact O-CB 3.37Å; F190-R489 HydrophobicContact CE1-CB 4.36Å; F190-R489 HydrophobicContact CE1-CG 4.26Å; F190-R489 VanDerWaalsContact CG-NH1 3.28Å; F190-R489 VanDerWaalsContact CZ-CD 3.49Å; F190-R489 HydrophobicContact CZ-CG 4.2Å
191	T	92.9	Very high	84.2	Confident	42 Å²	42	45 Å²	45	26%	0.258	25%	0.251	S	S	.	.	S	Bend	trans	-102.7	-17.8	176.7	45.4	0	0	0	0	112.9	R164 I165 I166 I168	R164-T191 VanDerWaalsContact CZ-O 3.24Å; R164-T191 PolarHBondContact NH1-O 3.47Å; R164-T191 PolarHBondContact NH2-O 3.02Å; I165-T191 HydrophobicContact CG2-CG2 3.89Å; I166-T191 WeakPolarHBondContact O-CG2 3.43Å; I168-T191 HydrophobicContact CG1-CG2 4.21Å
192	D	89.8	Confident	84.4	Confident	114 Å²	114	45.6 Å²	45.6	61%	0.61	25%	0.253	S	S	*	.	S	Bend	trans	-67	151	-177.1	-55.8	-44.5	0	0	0	111.7	N206	D192-N206 WeakPolarHBondContact O-CB 3.4Å; D192-N206 PolarHBondContact O-ND2 3.43Å
193	A	90.4	Very high	85	Confident	40 Å²	40	48.7 Å²	48.7	33%	0.331	27%	0.269	S	S	.	.			trans	-66.9	141.3	175.4	0	0	0	0	0	110.6	P195	A193-P195 WeakPolarHBondContact O-CD 3.4Å
194	V	90.4	Very high	85.7	Confident	25 Å²	25	47.8 Å²	47.8	15%	0.152	26%	0.264	C	S	.	.			trans	-93.9	108.3	174.2	177.1	0	0	0	0	107.7	F5 S6 D196 A199	F5-V194 HydrophobicContact CD2-CB 4.3Å; F5-V194 PolarHBondContact O-N 2.94Å; S6-V194 WeakPolarHBondContact CA-O 3.28Å; V194-D196 VanDerWaalsContact C-N 3.29Å; V194-D196 PolarHBondContact O-N 3.39Å; V194-A199 HydrophobicContact CG1-CB 3.82Å
195	P	86.4	Confident	86.5	Confident	118 Å²	118	51 Å²	51	77%	0.766	28%	0.275	S	S	*	.			trans	-69.2	-24.1	-165.6	24.7	-33.5	0	0	0	114.1	A193 P197	A193-P195 WeakPolarHBondContact O-CD 3.4Å; P195-P197 WeakPolarHBondContact O-CD 3.34Å
196	D	84.4	Confident	87.4	Confident	40 Å²	40	49.5 Å²	49.5	21%	0.214	27%	0.266	C	S	.	.			trans	-75.1	112	-179.8	-169.6	-16.2	0	0	0	110.6	F5 V194 R198 A199 R665	F5-D196 VanDerWaalsContact CE2-O 3.3Å; F5-D196 WeakPolarHBondContact CE2-O 3.44Å; V194-D196 VanDerWaalsContact C-N 3.29Å; V194-D196 PolarHBondContact O-N 3.39Å; D196-R198 PolarHBondContact O-N 2.82Å; D196-R198 VanDerWaalsContact O-N 3.16Å; D196-R198 PolarHBondContact OD1-N 3.48Å; D196-A199 HydrophobicContact CB-CB 4.43Å; D196-A199 VanDerWaalsContact O-CB 3.3Å; D196-A199 WeakPolarHBondContact O-CB 3.17Å; D196-A199 PolarHBondContact O-N 3.37Å; D196-A199 VanDerWaalsContact O-N 3.12Å; D196-R665 IonicContact OD2-CZ 2.79Å; D196-R665 IonicContact OD2-NH1 2.95Å; D196-R665 PolarHBondContact OD2-NH1 2.71Å; D196-R665 IonicContact OD2-NH2 3.79Å; D196-R665 PolarHBondContact OD2-NH2 3.13Å
197	P	83.3	Confident	87.8	Confident	90 Å²	90	49 Å²	49	58%	0.584	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-13.7	179.8	-16.8	32.3	0	0	0	113.7	F5 P195	F5-P197 WeakPolarHBondContact CZ-O 3.43Å; P195-P197 WeakPolarHBondContact O-CD 3.34Å
198	R	81.8	Confident	88.2	Confident	173 Å²	173	47.3 Å²	47.3	65%	0.653	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	25	176.7	-60	-173.8	-64	171.7	-2	111.6	D196 V200	D196-R198 PolarHBondContact O-N 2.82Å; D196-R198 VanDerWaalsContact O-N 3.16Å; D196-R198 PolarHBondContact OD1-N 3.48Å; R198-V200 PolarHBondContact O-N 3.18Å
199	A	83	Confident	88.6	Confident	7 Å²	7	45.7 Å²	45.7	6%	0.058	24%	0.243	C	C	.	.			trans	-58.3	128.4	176.3	0	0	0	0	0	110.8	F5 V194 D196 D203 K204	F5-A199 HydrophobicContact CD2-CB 4.19Å; F5-A199 HydrophobicContact CE2-CB 3.96Å; V194-A199 HydrophobicContact CG1-CB 3.82Å; D196-A199 HydrophobicContact CB-CB 4.43Å; D196-A199 VanDerWaalsContact O-CB 3.3Å; D196-A199 WeakPolarHBondContact O-CB 3.17Å; D196-A199 PolarHBondContact O-N 3.37Å; D196-A199 VanDerWaalsContact O-N 3.12Å; A199-D203 HydrophobicContact CB-CB 4.1Å; A199-K204 HydrophobicContact CB-CG 4.25Å; A199-K204 WeakPolarHBondContact O-CE 3.39Å
200	V	82.8	Confident	88.7	Confident	24 Å²	24	46 Å²	46	15%	0.145	25%	0.245	C	C	.	.			trans	-64.7	158.3	169.2	-72	0	0	0	0	110.6	R198 Q202 D203 K204 E689	R198-V200 PolarHBondContact O-N 3.18Å; V200-Q202 PolarHBondContact O-N 3.49Å; V200-D203 HydrophobicContact CG2-CB 3.9Å; V200-D203 VanDerWaalsContact CG2-OD2 3.24Å; V200-D203 WeakPolarHBondContact CG2-OD2 3.36Å; V200-D203 WeakPolarHBondContact O-CA 3.48Å; V200-D203 WeakPolarHBondContact O-CB 3.18Å; V200-D203 PolarHBondContact O-N 3.26Å; V200-K204 WeakPolarHBondContact O-CG 3.15Å; V200-K204 PolarHBondContact O-N 2.99Å; V200-K204 VanDerWaalsContact O-N 3.11Å; V200-E689 VanDerWaalsContact CA-OE1 3.23Å; V200-E689 WeakPolarHBondContact CA-OE1 3.47Å; V200-E689 HydrophobicContact CB-CG 4.34Å; V200-E689 WeakPolarHBondContact CB-OE1 3.3Å; V200-E689 HydrophobicContact CG1-CG 3.92Å
201	N	85.8	Confident	88.8	Confident	3 Å²	3	43 Å²	43	2%	0.016	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-31.1	-178.1	-76.3	-32.5	0	0	0	112.4	D203 K204 F209 E231 E689	N201-D203 VanDerWaalsContact C-N 3.29Å; N201-D203 PolarHBondContact O-N 3.02Å; N201-K204 WeakPolarHBondContact OD1-CE 3.41Å; N201-K204 PolarHBondContact OD1-NZ 3.21Å; N201-F209 HydrophobicContact CB-CE2 4.4Å; N201-F209 HydrophobicContact CB-CZ 4.01Å; N201-E231 PolarHBondContact ND2-OE2 2.96Å; N201-E231 PolarHBondContact OD1-OE2 3.08Å; N201-E689 PolarHBondContact N-OE1 3.39Å; N201-E689 PolarHBondContact ND2-OE2 3.45Å
202	Q	81.6	Confident	88.8	Confident	22 Å²	22	41 Å²	41	10%	0.103	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-29.5	172.7	-58.1	85.6	-3.1	0	0	112.9	T181 V200 E689	T181-Q202 HydrophobicContact CG2-CG 3.85Å; V200-Q202 PolarHBondContact O-N 3.49Å; Q202-E689 PolarHBondContact OE1-OE1 2.91Å
203	D	84.1	Confident	89	Confident	68 Å²	68	38.3 Å²	38.3	36%	0.364	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-18.7	-177.9	-72.3	-18.3	0	0	0	113.1	A199 V200 N201 K205	A199-D203 HydrophobicContact CB-CB 4.1Å; V200-D203 HydrophobicContact CG2-CB 3.9Å; V200-D203 VanDerWaalsContact CG2-OD2 3.24Å; V200-D203 WeakPolarHBondContact CG2-OD2 3.36Å; V200-D203 WeakPolarHBondContact O-CA 3.48Å; V200-D203 WeakPolarHBondContact O-CB 3.18Å; V200-D203 PolarHBondContact O-N 3.26Å; N201-D203 VanDerWaalsContact C-N 3.29Å; N201-D203 PolarHBondContact O-N 3.02Å; D203-K205 PolarHBondContact O-N 3.18Å
204	K	90.1	Very high	89.1	Confident	25 Å²	25	36.6 Å²	36.6	11%	0.109	19%	0.191	C	C	.	.			trans	-70.8	63	173.2	-64.4	176.3	-165.4	164.2	0	111.3	F5 K189 A199 V200 N201 N206 I207 F209 E231	F5-K204 HydrophobicContact CB-CB 4.35Å; F5-K204 HydrophobicContact CB-CD 4.43Å; F5-K204 HydrophobicContact CB-CG 4.02Å; F5-K204 HydrophobicContact CD1-CD 3.86Å; F5-K204 HydrophobicContact CD1-CG 4.16Å; F5-K204 HydrophobicContact CD2-CG 4.24Å; F5-K204 HydrophobicContact CE1-CD 4.32Å; F5-K204 HydrophobicContact CG-CD 4.11Å; F5-K204 HydrophobicContact CG-CG 3.88Å; K189-K204 PolarHBondContact NZ-O 2.78Å; A199-K204 HydrophobicContact CB-CG 4.25Å; A199-K204 WeakPolarHBondContact O-CE 3.39Å; V200-K204 WeakPolarHBondContact O-CG 3.15Å; V200-K204 PolarHBondContact O-N 2.99Å; V200-K204 VanDerWaalsContact O-N 3.11Å; N201-K204 WeakPolarHBondContact OD1-CE 3.41Å; N201-K204 PolarHBondContact OD1-NZ 3.21Å; K204-N206 PolarHBondContact O-N 2.65Å; K204-I207 HydrophobicContact CB-CB 4.27Å; K204-I207 HydrophobicContact CB-CG1 4.17Å; K204-I207 PolarHBondContact O-N 2.83Å; K204-F209 HydrophobicContact CB-CZ 3.93Å; K204-F209 HydrophobicContact CD-CE1 4.19Å; K204-F209 HydrophobicContact CD-CZ 3.94Å; K204-E231 IonicContact NZ-OE1 2.8Å
205	K	89.8	Confident	89.1	Confident	93 Å²	93	37.5 Å²	37.5	40%	0.404	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-2	-175.4	-56.3	-175.3	-177.3	173.5	0	113.9	K189 F190 D203	K189-K205 CarbonylContact C-O 3.34Å; K189-K205 WeakPolarHBondContact CA-O 3.28Å; K189-K205 WeakPolarHBondContact CB-O 3.39Å; K189-K205 WeakPolarHBondContact CD-O 3.48Å; F190-K205 HydrophobicContact CD2-CB 3.7Å; F190-K205 HydrophobicContact CD2-CD 3.99Å; F190-K205 HydrophobicContact CD2-CG 4.48Å; F190-K205 HydrophobicContact CE2-CB 4.31Å; F190-K205 HydrophobicContact CE2-CD 3.78Å; F190-K205 PolarHBondContact N-O 2.76Å; D203-K205 PolarHBondContact O-N 3.18Å
206	N	94.3	Very high	89.3	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	5	178.3	66	-5.7	0	0	0	114.5	F5 R164 I165 F190 D192 K204	F5-N206 WeakPolarHBondContact CA-OD1 3.47Å; F5-N206 WeakPolarHBondContact CB-OD1 3.5Å; F5-N206 PolarHBondContact O-ND2 3.14Å; R164-N206 VanDerWaalsContact CZ-ND2 3.27Å; R164-N206 PolarHBondContact NE-ND2 3.08Å; R164-N206 PolarHBondContact NH2-ND2 3.43Å; I165-N206 WeakPolarHBondContact CG1-O 3.41Å; I165-N206 PolarHBondContact N-O 3.46Å; F190-N206 WeakPolarHBondContact O-CA 3.43Å; F190-N206 VanDerWaalsContact O-CB 3.25Å; F190-N206 WeakPolarHBondContact O-CB 3.37Å; D192-N206 WeakPolarHBondContact O-CB 3.4Å; D192-N206 PolarHBondContact O-ND2 3.43Å; K204-N206 PolarHBondContact O-N 2.65Å
207	I	95.6	Very high	89.7	Confident	8 Å²	8	32.6 Å²	32.6	4%	0.041	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	144.7	173.8	-60.7	-58.1	0	0	0	109.5	F5 M163 R164 K189 K204 F209	F5-I207 HydrophobicContact CB-CD1 4.06Å; F5-I207 HydrophobicContact CB-CG1 3.67Å; M163-I207 CarbonylContact O-C 3.59Å; M163-I207 WeakPolarHBondContact O-CA 3.13Å; R164-I207 HydrophobicContact CB-CD1 4.05Å; K189-I207 VanDerWaalsContact CE-O 3.25Å; K189-I207 WeakPolarHBondContact CE-O 3.48Å; K189-I207 PolarHBondContact NZ-O 2.86Å; K204-I207 HydrophobicContact CB-CB 4.27Å; K204-I207 HydrophobicContact CB-CG1 4.17Å; K204-I207 PolarHBondContact O-N 2.83Å; I207-F209 HydrophobicContact CB-CE1 4.21Å; I207-F209 HydrophobicContact CB-CZ 4.14Å; I207-F209 HydrophobicContact CG2-CD1 3.67Å; I207-F209 HydrophobicContact CG2-CE1 3.51Å; I207-F209 HydrophobicContact CG2-CE2 4.4Å; I207-F209 HydrophobicContact CG2-CG 4.21Å; I207-F209 HydrophobicContact CG2-CZ 3.91Å
208	L	96.6	Very high	90.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	134.9	160.1	-53	173.6	0	0	0	107.5	V153 V159 D162 M163 I165 L173 V175 K189 I214	V153-L208 HydrophobicContact CG2-CD1 3.62Å; V159-L208 HydrophobicContact CG1-CB 3.88Å; V159-L208 HydrophobicContact CG2-CB 4.1Å; D162-L208 CarbonylContact C-O 3.6Å; D162-L208 WeakPolarHBondContact CA-O 3.5Å; M163-L208 HydrophobicContact CE-CD1 4.28Å; M163-L208 HydrophobicContact CG-CB 3.6Å; M163-L208 HydrophobicContact CG-CD1 4Å; M163-L208 HydrophobicContact CG-CG 4.17Å; M163-L208 PolarHBondContact N-O 2.87Å; M163-L208 PolarHBondContact O-N 2.96Å; M163-L208 HydrophobicContact SD-CB 4.25Å; M163-L208 HydrophobicContact SD-CD1 3.83Å; I165-L208 HydrophobicContact CD1-CD2 3.86Å; I165-L208 HydrophobicContact CD1-CG 3.94Å; I165-L208 HydrophobicContact CG1-CD1 4.15Å; I165-L208 HydrophobicContact CG1-CD2 4.25Å; I165-L208 HydrophobicContact CG1-CG 3.76Å; L173-L208 HydrophobicContact CD2-CD1 4.36Å; L173-L208 HydrophobicContact CD2-CD2 3.88Å; V175-L208 HydrophobicContact CG2-CD2 3.5Å; K189-L208 HydrophobicContact CD-CD2 4.47Å; K189-L208 HydrophobicContact CG-CD2 4.08Å; L208-I214 HydrophobicContact CD1-CD1 4.42Å; L208-I214 HydrophobicContact CD2-CD1 4.38Å
209	F	95.5	Very high	91	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.018	13%	0.134	C	C	.	.			trans	-104.4	143.9	-175.2	-56.8	-78.5	0	0	0	111.1	V159 D162 Q177 L180 N201 K204 I207 T212 E231	V159-F209 VanDerWaalsContact CB-O 3.24Å; V159-F209 WeakPolarHBondContact CB-O 3.3Å; V159-F209 VanDerWaalsContact CG1-O 3.24Å; V159-F209 WeakPolarHBondContact CG1-O 3.5Å; D162-F209 VanDerWaalsContact OD1-CA 3.3Å; D162-F209 WeakPolarHBondContact OD1-CA 3.37Å; Q177-F209 VanDerWaalsContact OE1-CD2 3.32Å; L180-F209 HydrophobicContact CD1-CB 3.3Å; L180-F209 HydrophobicContact CD1-CD1 4.27Å; L180-F209 HydrophobicContact CD1-CD2 3.92Å; L180-F209 HydrophobicContact CD1-CG 3.6Å; N201-F209 HydrophobicContact CB-CE2 4.4Å; N201-F209 HydrophobicContact CB-CZ 4.01Å; K204-F209 HydrophobicContact CB-CZ 3.93Å; K204-F209 HydrophobicContact CD-CE1 4.19Å; K204-F209 HydrophobicContact CD-CZ 3.94Å; I207-F209 HydrophobicContact CB-CE1 4.21Å; I207-F209 HydrophobicContact CB-CZ 4.14Å; I207-F209 HydrophobicContact CG2-CD1 3.67Å; I207-F209 HydrophobicContact CG2-CE1 3.51Å; I207-F209 HydrophobicContact CG2-CE2 4.4Å; I207-F209 HydrophobicContact CG2-CG 4.21Å; I207-F209 HydrophobicContact CG2-CZ 3.91Å; F209-T212 HydrophobicContact CB-CG2 3.98Å; F209-T212 WeakPolarHBondContact O-CB 3.5Å; F209-T212 PolarHBondContact O-N 3.37Å; F209-T212 PolarHBondContact O-OG1 2.82Å; F209-E231 HydrophobicContact CD1-CB 4.15Å; F209-E231 HydrophobicContact CD1-CG 3.57Å; F209-E231 HydrophobicContact CE1-CG 3.67Å
210	S	95	Very high	91.6	Very high	7 Å²	7	24.9 Å²	24.9	5%	0.049	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	137.7	176.6	-167.3	0	0	0	0	111.7	V159 P160 D162 T212	V159-S210 WeakPolarHBondContact O-CA 3.23Å; P160-S210 PolarHBondContact O-OG 2.8Å; D162-S210 PolarHBondContact OD1-N 3.37Å; S210-T212 VanDerWaalsContact C-N 3.26Å; S210-T212 PolarHBondContact O-N 2.94Å
211	G	91.3	Very high	92.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	-12.9	-178.8	0	0	0	0	0	115.5	V159 I179	V159-G211 PolarHBondContact O-N 3.32Å; I179-G211 WeakPolarHBondContact CD1-O 3.43Å
212	T	93.3	Very high	92.8	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	13%	0.13	C	C	.	.			trans	-74.4	159.5	174.8	64.1	0	0	0	0	111.7	K158 V159 D176 Q177 I179 L180 F209 S210	K158-T212 WeakPolarHBondContact CA-O 3.28Å; V159-T212 WeakPolarHBondContact CB-O 3.46Å; V159-T212 WeakPolarHBondContact CG2-O 3.3Å; V159-T212 WeakPolarHBondContact CG2-OG1 3.4Å; V159-T212 PolarHBondContact N-O 3.35Å; D176-T212 WeakPolarHBondContact O-CB 3.49Å; Q177-T212 HydrophobicContact CB-CG2 4.32Å; Q177-T212 HydrophobicContact CG-CG2 4.29Å; I179-T212 HydrophobicContact CD1-CG2 4.01Å; I179-T212 HydrophobicContact CG1-CG2 3.93Å; L180-T212 HydrophobicContact CD1-CG2 4.1Å; F209-T212 HydrophobicContact CB-CG2 3.98Å; F209-T212 WeakPolarHBondContact O-CB 3.5Å; F209-T212 PolarHBondContact O-N 3.37Å; F209-T212 PolarHBondContact O-OG1 2.82Å; S210-T212 VanDerWaalsContact C-N 3.26Å; S210-T212 PolarHBondContact O-N 2.94Å
213	N	92.5	Very high	93.5	Very high	57 Å²	57	22.6 Å²	22.6	31%	0.305	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	141	-175.8	-64.8	-28.4	0	0	0	111.8	K158 V175 D176 A215	K158-N213 WeakPolarHBondContact CG-OD1 3.34Å; V175-N213 CarbonylContact C-O 3.33Å; V175-N213 WeakPolarHBondContact CA-O 3.44Å; V175-N213 WeakPolarHBondContact CG1-O 3.27Å; D176-N213 HydrophobicContact CB-CB 4.37Å; D176-N213 PolarHBondContact N-O 3.3Å; D176-N213 PolarHBondContact O-N 3.01Å; N213-A215 PolarHBondContact O-N 3.31Å
214	I	94.2	Very high	94.1	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.015	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	108.2	171.9	-51.4	-53.8	0	0	0	109.5	V153 S154 G156 D157 V159 L173 V175 L208	V153-I214 HydrophobicContact CB-CD1 4.29Å; V153-I214 HydrophobicContact CB-CG1 3.91Å; V153-I214 HydrophobicContact CG2-CD1 3.86Å; V153-I214 HydrophobicContact CG2-CG1 3.95Å; S154-I214 WeakPolarHBondContact O-CB 3.26Å; G156-I214 PolarHBondContact N-O 3.21Å; D157-I214 PolarHBondContact O-N 3.16Å; V159-I214 HydrophobicContact CG2-CD1 3.76Å; V159-I214 HydrophobicContact CG2-CG1 4.41Å; L173-I214 HydrophobicContact CD1-CG2 3.85Å; V175-I214 HydrophobicContact CG1-CD1 4.43Å; V175-I214 HydrophobicContact CG2-CD1 3.95Å; L208-I214 HydrophobicContact CD1-CD1 4.42Å; L208-I214 HydrophobicContact CD2-CD1 4.38Å
215	A	90.1	Very high	94.4	Very high	45 Å²	45	19.1 Å²	19.1	37%	0.372	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-36.9	178.6	0	0	0	0	0	112.2	V155 R174 N213	V155-A215 WeakPolarHBondContact CG2-O 3.44Å; R174-A215 HydrophobicContact CB-CB 4.27Å; R174-A215 PolarHBondContact O-N 2.79Å; N213-A215 PolarHBondContact O-N 3.31Å
216	A	90.8	Very high	94.6	Very high	34 Å²	34	15 Å²	15	28%	0.281	9%	0.092	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	151.1	175.2	0	0	0	0	0	112	R174	R174-A216 HydrophobicContact CB-CB 4.06Å; R174-A216 HydrophobicContact CG-CB 4.27Å; R174-A216 PolarHBondContact N-O 3.32Å; R174-A216 PolarHBondContact O-N 3.1Å; R174-A216 VanDerWaalsContact O-N 3.13Å
217	G	92.5	Very high	94.5	Very high	21 Å²	21	15.2 Å²	15.2	22%	0.216	9%	0.094	C	C	.	.			trans	93.3	-170.9	173.7	0	0	0	0	0	114.7	S154 V155 S170	S154-G217 CarbonylContact C-O 3.57Å; S154-G217 WeakPolarHBondContact CA-O 3.33Å; V155-G217 PolarHBondContact N-O 3.12Å; S170-G217 WeakPolarHBondContact OG-CA 3.36Å
218	K	95.5	Very high	94.3	Very high	74 Å²	74	17.8 Å²	17.8	32%	0.322	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	136.1	-177.1	-176.1	175.5	-179.1	173.9	0	110.1	E152 V153 M169 S170	E152-K218 VanDerWaalsContact CD-NZ 3.35Å; E152-K218 WeakPolarHBondContact OE1-CE 3.27Å; E152-K218 IonicContact OE1-NZ 3.88Å; E152-K218 PolarHBondContact OE1-NZ 3.18Å; E152-K218 WeakPolarHBondContact OE2-CE 3.4Å; E152-K218 IonicContact OE2-NZ 2.86Å; V153-K218 WeakPolarHBondContact O-CA 3.43Å; M169-K218 HydrophobicContact CB-CB 4.35Å; M169-K218 HydrophobicContact CB-CG 4.28Å; M169-K218 PolarHBondContact N-O 3.33Å; M169-K218 HydrophobicContact SD-CD 4.2Å; M169-K218 HydrophobicContact SD-CG 4.31Å; S170-K218 PolarHBondContact N-O 3.43Å; S170-K218 PolarHBondContact OG-N 2.85Å; S170-K218 PolarHBondContact OG-O 3.28Å
219	A	96.1	Very high	94.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	158	179.7	0	0	0	0	0	112.7	E152 V153 I165 K167 I168 L173	E152-A219 WeakPolarHBondContact CA-O 3.27Å; V153-A219 HydrophobicContact CG2-CB 4.49Å; V153-A219 PolarHBondContact N-O 2.94Å; V153-A219 PolarHBondContact O-N 3.17Å; I165-A219 HydrophobicContact CG2-CB 4.39Å; K167-A219 CarbonylContact O-C 3.59Å; K167-A219 WeakPolarHBondContact O-CA 3.3Å; I168-A219 HydrophobicContact CG1-CB 4.46Å; L173-A219 HydrophobicContact CD1-CB 3.93Å; L173-A219 HydrophobicContact CD2-CB 3.56Å; L173-A219 HydrophobicContact CG-CB 4.28Å
220	R	95.8	Very high	94	Very high	33 Å²	33	23.2 Å²	23.2	13%	0.125	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	142.1	167.9	-68.1	-175	-174.1	170	-1	110	E21 V151 E152 I166 K167 M169	E21-R220 IonicContact OE1-NH1 2.68Å; E21-R220 IonicContact OE2-CZ 3.7Å; E21-R220 IonicContact OE2-NH1 3.9Å; E21-R220 PolarHBondContact OE2-NH1 2.93Å; V151-R220 CarbonylContact O-C 3.52Å; V151-R220 WeakPolarHBondContact O-CA 3.39Å; E152-R220 HydrophobicContact CB-CG 4.16Å; E152-R220 HydrophobicContact CG-CG 4.22Å; E152-R220 IonicContact OE2-CZ 3.58Å; E152-R220 IonicContact OE2-NE 2.73Å; E152-R220 PolarHBondContact OE2-NE 2.95Å; E152-R220 VanDerWaalsContact OE2-NE 3.16Å; E152-R220 IonicContact OE2-NH2 3.64Å; I166-R220 PolarHBondContact N-O 3.22Å; K167-R220 PolarHBondContact N-O 3.45Å; K167-R220 VanDerWaalsContact N-O 3.16Å; K167-R220 PolarHBondContact O-N 2.97Å; M169-R220 HydrophobicContact SD-CG 4.22Å
221	G	96.3	Very high	93.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	164.5	174.2	0	0	0	0	0	112.4	V151 R164	V151-G221 PolarHBondContact N-O 3.03Å; V151-G221 PolarHBondContact O-N 2.85Å; R164-G221 CarbonylContact O-C 3.54Å; R164-G221 WeakPolarHBondContact O-CA 3.38Å
222	I	97.3	Very high	93.8	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.5	176.5	-179.6	160.7	0	0	0	109.9	V12 L13 F16 D149 I150 M163 R164 I166 V224	V12-I222 HydrophobicContact CG1-CG2 3.61Å; L13-I222 HydrophobicContact CD2-CD1 4.05Å; F16-I222 HydrophobicContact CB-CD1 3.91Å; F16-I222 HydrophobicContact CD2-CD1 3.82Å; F16-I222 HydrophobicContact CD2-CG1 4.28Å; F16-I222 HydrophobicContact CG-CD1 4.2Å; D149-I222 CarbonylContact O-C 3.59Å; D149-I222 WeakPolarHBondContact O-CA 3.5Å; I150-I222 HydrophobicContact CD1-CB 3.91Å; I150-I222 HydrophobicContact CD1-CD1 4.16Å; I150-I222 HydrophobicContact CD1-CG1 4.16Å; M163-I222 CarbonylContact C-O 3.43Å; M163-I222 WeakPolarHBondContact CA-O 3.34Å; M163-I222 WeakPolarHBondContact CB-O 3.1Å; R164-I222 HydrophobicContact CB-CG2 3.89Å; R164-I222 HydrophobicContact CG-CG2 4.46Å; R164-I222 PolarHBondContact N-O 3.29Å; R164-I222 PolarHBondContact O-N 2.84Å; I166-I222 HydrophobicContact CD1-CB 3.85Å; I166-I222 HydrophobicContact CD1-CG2 4.11Å; I166-I222 HydrophobicContact CG1-CB 4.4Å; I166-I222 HydrophobicContact CG1-CG2 4.12Å; I222-V224 PolarHBondContact O-N 2.99Å
223	V	97.3	Very high	93.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	126.4	176.7	-179.4	0	0	0	0	109.7	L145 G148 D149 V151 A161 T226	L145-V223 HydrophobicContact CD2-CG2 4.4Å; G148-V223 PolarHBondContact N-O 3.4Å; D149-V223 HydrophobicContact CB-CG2 4.09Å; D149-V223 PolarHBondContact O-N 2.97Å; V151-V223 HydrophobicContact CG2-CG2 3.47Å; V151-V223 VanDerWaalsContact CG2-CG2 3.47Å; A161-V223 HydrophobicContact CB-CG1 3.76Å; A161-V223 HydrophobicContact CB-CG2 4.32Å; V223-T226 HydrophobicContact CG1-CG2 3.54Å
224	V	96.7	Very high	93.5	Very high	9 Å²	9	24.7 Å²	24.7	6%	0.055	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-27.9	-178.7	-63	0	0	0	0	113.2	M1 A4 V12 F16 D162 R164 I222	M1-V224 PolarHBondContact N-O 2.78Å; A4-V224 HydrophobicContact CB-CB 4.07Å; A4-V224 HydrophobicContact CB-CG1 3.56Å; A4-V224 HydrophobicContact CB-CG2 4.41Å; V12-V224 HydrophobicContact CG1-CG1 4.19Å; F16-V224 HydrophobicContact CE2-CG1 4.32Å; D162-V224 HydrophobicContact CB-CG2 4.14Å; D162-V224 WeakPolarHBondContact O-CG2 3.42Å; D162-V224 PolarHBondContact O-N 3.42Å; R164-V224 HydrophobicContact CB-CG1 3.75Å; I222-V224 PolarHBondContact O-N 2.99Å
225	S	95.7	Very high	93.1	Very high	11 Å²	11	24.9 Å²	24.9	8%	0.077	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	147.8	177.5	-62.3	0	0	0	0	110.5	D162 M229 T230	D162-S225 PolarHBondContact N-O 3.32Å; D162-S225 PolarHBondContact O-N 3.47Å; S225-M229 VanDerWaalsContact CB-O 3.29Å; S225-M229 WeakPolarHBondContact CB-O 3.47Å; S225-M229 PolarHBondContact OG-O 3.46Å; S225-T230 WeakPolarHBondContact O-CG2 3.19Å
226	T	95.2	Very high	92.8	Very high	8 Å²	8	23 Å²	23	5%	0.049	12%	0.122	C	C	.	.			trans	-134	158.6	-179.5	51.4	0	0	0	0	110.8	N39 P147 A161 V223 L228 M229	N39-T226 HydrophobicContact CB-CG2 3.96Å; N39-T226 VanDerWaalsContact OD1-CA 3.3Å; N39-T226 WeakPolarHBondContact OD1-CA 3.43Å; N39-T226 VanDerWaalsContact OD1-CB 3.27Å; N39-T226 WeakPolarHBondContact OD1-CB 3.3Å; P147-T226 HydrophobicContact CG-CG2 4.17Å; A161-T226 HydrophobicContact CB-CG2 4.2Å; V223-T226 HydrophobicContact CG1-CG2 3.54Å; T226-L228 PolarHBondContact O-N 3.47Å; T226-M229 PolarHBondContact O-N 3.11Å; T226-M229 VanDerWaalsContact O-N 3.12Å
227	G	91.9	Very high	92.6	Very high	4 Å²	4	23.8 Å²	23.8	4%	0.041	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	52.7	-129.1	176.7	0	0	0	0	0	112.8	N39 M229 T230	N39-G227 PolarHBondContact OD1-N 3.18Å; G227-M229 PolarHBondContact O-N 3.09Å; G227-M229 VanDerWaalsContact O-N 3.11Å; G227-T230 PolarHBondContact O-N 3.03Å; G227-T230 PolarHBondContact O-OG1 3.41Å
228	L	90.8	Very high	92	Very high	61 Å²	61	24.7 Å²	24.7	32%	0.319	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	-60.2	-20.2	-179.1	-65.9	177.1	0	0	0	114.9	L41 P42 T226 T230 G233 N237	L41-L228 HydrophobicContact CD2-CD2 4.05Å; P42-L228 HydrophobicContact CG-CD1 4.24Å; P42-L228 HydrophobicContact CG-CD2 4.35Å; P42-L228 HydrophobicContact CG-CG 4.47Å; T226-L228 PolarHBondContact O-N 3.47Å; L228-T230 VanDerWaalsContact C-N 3.31Å; L228-G233 CarbonylContact O-C 3.57Å; L228-N237 WeakPolarHBondContact CD2-OD1 3.46Å
229	M	93	Very high	91.3	Very high	117 Å²	117	21.1 Å²	21.1	58%	0.576	11%	0.105	S	C	*	.	G	3₁₀ helix	trans	-85.4	-4.9	-178.3	-63	-66.3	-177.5	0	0	113.4	S225 T226 G227	S225-M229 VanDerWaalsContact CB-O 3.29Å; S225-M229 WeakPolarHBondContact CB-O 3.47Å; S225-M229 PolarHBondContact OG-O 3.46Å; T226-M229 PolarHBondContact O-N 3.11Å; T226-M229 VanDerWaalsContact O-N 3.12Å; G227-M229 PolarHBondContact O-N 3.09Å; G227-M229 VanDerWaalsContact O-N 3.11Å
230	T	93.6	Very high	90.5	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.012	12%	0.122	C	C	.	.	S	Bend	trans	-77.6	163.6	173.8	60.9	0	0	0	0	111.3	D162 S225 G227 L228 I232 G233 K234	D162-T230 HydrophobicContact CB-CG2 4.2Å; D162-T230 VanDerWaalsContact OD2-CA 3.22Å; D162-T230 WeakPolarHBondContact OD2-CA 3.32Å; S225-T230 WeakPolarHBondContact O-CG2 3.19Å; G227-T230 PolarHBondContact O-N 3.03Å; G227-T230 PolarHBondContact O-OG1 3.41Å; L228-T230 VanDerWaalsContact C-N 3.31Å; T230-I232 VanDerWaalsContact C-N 3.31Å; T230-I232 PolarHBondContact O-N 3.45Å; T230-I232 WeakPolarHBondContact OG1-CG2 3.3Å; T230-G233 CarbonylContact O-C 3.56Å; T230-G233 WeakPolarHBondContact O-CA 3.48Å; T230-G233 PolarHBondContact O-N 3.32Å; T230-G233 PolarHBondContact OG1-N 3.06Å; T230-K234 WeakPolarHBondContact O-CG 3.48Å; T230-K234 PolarHBondContact O-N 3.08Å
231	E	91	Very high	89.7	Confident	30 Å²	30	29.3 Å²	29.3	14%	0.14	15%	0.149	C	C	.	.	H	α-helix	trans	-59.9	-39.2	175.1	-64.7	-60.7	129	0	0	112.3	D162 L180 N201 K204 F209 G233 K234 I235	D162-E231 PolarHBondContact OD2-N 2.9Å; L180-E231 HydrophobicContact CD1-CB 4.29Å; L180-E231 HydrophobicContact CD2-CB 4.47Å; N201-E231 PolarHBondContact ND2-OE2 2.96Å; N201-E231 PolarHBondContact OD1-OE2 3.08Å; K204-E231 IonicContact NZ-OE1 2.8Å; F209-E231 HydrophobicContact CD1-CB 4.15Å; F209-E231 HydrophobicContact CD1-CG 3.57Å; F209-E231 HydrophobicContact CE1-CG 3.67Å; E231-G233 VanDerWaalsContact C-N 3.34Å; E231-K234 PolarHBondContact O-N 3.45Å; E231-K234 IonicContact OE1-NZ 3.77Å; E231-K234 PolarHBondContact OE1-NZ 3.23Å; E231-I235 WeakPolarHBondContact O-CG1 3.43Å; E231-I235 PolarHBondContact O-N 3.49Å
232	I	89.7	Confident	88.6	Confident	4 Å²	4	30.1 Å²	30.1	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-68.8	-32.7	172.9	-163.8	169.9	0	0	0	112.1	L119 I179 T230 I235 R236	L119-I232 HydrophobicContact CD2-CD1 4.23Å; L119-I232 HydrophobicContact CD2-CG1 4.18Å; I179-I232 HydrophobicContact CD1-CD1 4.47Å; T230-I232 VanDerWaalsContact C-N 3.31Å; T230-I232 PolarHBondContact O-N 3.45Å; T230-I232 WeakPolarHBondContact OG1-CG2 3.3Å; I232-I235 WeakPolarHBondContact O-CB 3.39Å; I232-I235 PolarHBondContact O-N 3.22Å; I232-R236 PolarHBondContact O-N 3.27Å
233	G	89.8	Confident	87.3	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65.3	-37.8	173.2	0	0	0	0	0	113.2	L228 T230 E231 R236 N237	L228-G233 CarbonylContact O-C 3.57Å; T230-G233 CarbonylContact O-C 3.56Å; T230-G233 WeakPolarHBondContact O-CA 3.48Å; T230-G233 PolarHBondContact O-N 3.32Å; T230-G233 PolarHBondContact OG1-N 3.06Å; E231-G233 VanDerWaalsContact C-N 3.34Å; G233-R236 WeakPolarHBondContact O-CB 3.45Å; G233-R236 PolarHBondContact O-N 2.78Å; G233-N237 PolarHBondContact O-N 2.68Å
234	K	89.4	Confident	85.7	Confident	62 Å²	62	42.9 Å²	42.9	27%	0.27	22%	0.224	S	C	.	.	H	α-helix	trans	-64.3	-41.7	173	-68.1	172.3	-173.3	173.8	0	111.7	T230 E231 R236 N237 Q238	T230-K234 WeakPolarHBondContact O-CG 3.48Å; T230-K234 PolarHBondContact O-N 3.08Å; E231-K234 PolarHBondContact O-N 3.45Å; E231-K234 IonicContact OE1-NZ 3.77Å; E231-K234 PolarHBondContact OE1-NZ 3.23Å; K234-R236 VanDerWaalsContact C-N 3.33Å; K234-R236 PolarHBondContact O-N 3.1Å; K234-N237 PolarHBondContact O-N 3.22Å; K234-Q238 WeakPolarHBondContact O-CG 3.4Å; K234-Q238 PolarHBondContact O-N 3.49Å
235	I	85.8	Confident	84.4	Confident	6 Å²	6	48 Å²	48	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-58.6	-46.5	173.3	-67.7	173.1	0	0	0	110.1	L180 E231 I232 N237 Q238 M239 P690 V714 P718	L180-I235 HydrophobicContact CD2-CD1 3.58Å; E231-I235 WeakPolarHBondContact O-CG1 3.43Å; E231-I235 PolarHBondContact O-N 3.49Å; I232-I235 WeakPolarHBondContact O-CB 3.39Å; I232-I235 PolarHBondContact O-N 3.22Å; I235-N237 PolarHBondContact O-N 2.94Å; I235-Q238 PolarHBondContact O-N 3.18Å; I235-M239 HydrophobicContact CG2-SD 4.38Å; I235-M239 WeakPolarHBondContact O-CG 3.33Å; I235-M239 PolarHBondContact O-N 2.58Å; I235-P690 HydrophobicContact CD1-CG 4.34Å; I235-P690 HydrophobicContact CG1-CB 4.47Å; I235-V714 HydrophobicContact CD1-CG1 4.42Å; I235-V714 HydrophobicContact CG2-CG1 4.24Å; I235-P718 HydrophobicContact CB-CG 4.39Å; I235-P718 HydrophobicContact CG2-CG 3.68Å
236	R	84.6	Confident	83.4	Confident	5 Å²	5	52.9 Å²	52.9	2%	0.019	27%	0.27	C	S	.	.	H	α-helix	trans	-58.9	-48.7	176.3	178.6	-173.3	178.3	-83.1	-5.6	112.3	L41 P42 I116 L119 I232 G233 K234 Q238 M239 M240	L41-R236 HydrophobicContact CD2-CB 4.31Å; P42-R236 VanDerWaalsContact CB-NH2 3.29Å; P42-R236 PolarHBondContact O-NE 3.33Å; P42-R236 PolarHBondContact O-NH2 2.94Å; I116-R236 HydrophobicContact CG2-CG 4.39Å; L119-R236 HydrophobicContact CD1-CB 4.23Å; I232-R236 PolarHBondContact O-N 3.27Å; G233-R236 WeakPolarHBondContact O-CB 3.45Å; G233-R236 PolarHBondContact O-N 2.78Å; K234-R236 VanDerWaalsContact C-N 3.33Å; K234-R236 PolarHBondContact O-N 3.1Å; R236-Q238 VanDerWaalsContact C-N 3.29Å; R236-Q238 PolarHBondContact O-N 3.1Å; R236-M239 WeakPolarHBondContact O-CB 3.48Å; R236-M239 PolarHBondContact O-N 3.2Å; R236-M239 VanDerWaalsContact O-N 3.12Å; R236-M240 PolarHBondContact NH1-SD 3.43Å; R236-M240 PolarHBondContact NH2-SD 3.04Å; R236-M240 PolarHBondContact O-N 3.38Å
237	N	86.4	Confident	82.5	Confident	52 Å²	52	53.3 Å²	53.3	28%	0.278	27%	0.273	S	S	.	.	H	α-helix	trans	-59.6	-43.2	-179.5	-78.4	-7.7	0	0	0	111	L228 G233 K234 I235 M239 M240 D241	L228-N237 WeakPolarHBondContact CD2-OD1 3.46Å; G233-N237 PolarHBondContact O-N 2.68Å; K234-N237 PolarHBondContact O-N 3.22Å; I235-N237 PolarHBondContact O-N 2.94Å; N237-M239 VanDerWaalsContact C-N 3.3Å; N237-M239 PolarHBondContact O-N 3.41Å; N237-M240 PolarHBondContact O-N 2.95Å; N237-D241 WeakPolarHBondContact O-CB 3.41Å; N237-D241 PolarHBondContact O-N 3.43Å
238	Q	81	Confident	81.8	Confident	39 Å²	39	53.5 Å²	53.5	18%	0.182	27%	0.273	C	S	.	.	H	α-helix	trans	-60.8	-39.9	175.3	-73.4	173.6	1.9	0	0	112.7	K234 I235 R236 M240 D241 T242 M691 P718	K234-Q238 WeakPolarHBondContact O-CG 3.4Å; K234-Q238 PolarHBondContact O-N 3.49Å; I235-Q238 PolarHBondContact O-N 3.18Å; R236-Q238 VanDerWaalsContact C-N 3.29Å; R236-Q238 PolarHBondContact O-N 3.1Å; Q238-M240 VanDerWaalsContact C-N 3.29Å; Q238-M240 PolarHBondContact O-N 3.29Å; Q238-D241 PolarHBondContact O-N 3.4Å; Q238-T242 WeakPolarHBondContact O-CB 3.26Å; Q238-T242 PolarHBondContact O-N 3.42Å; Q238-T242 VanDerWaalsContact O-N 3.08Å; Q238-T242 PolarHBondContact O-OG1 3.39Å; Q238-M691 VanDerWaalsContact NE2-CG 3.33Å; Q238-M691 PolarHBondContact NE2-SD 3.25Å; Q238-P718 HydrophobicContact CB-CB 4.15Å; Q238-P718 HydrophobicContact CB-CG 4.4Å
239	M	79.3	Confident	81.1	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.8	-33.5	174.4	-69.9	-179.5	70.4	0	0	112.4	A115 L119 I235 R236 N237 A717 P718 K721 A739	A115-M239 HydrophobicContact CB-CE 3.84Å; L119-M239 HydrophobicContact CD1-SD 3.86Å; I235-M239 HydrophobicContact CG2-SD 4.38Å; I235-M239 WeakPolarHBondContact O-CG 3.33Å; I235-M239 PolarHBondContact O-N 2.58Å; R236-M239 WeakPolarHBondContact O-CB 3.48Å; R236-M239 PolarHBondContact O-N 3.2Å; R236-M239 VanDerWaalsContact O-N 3.12Å; N237-M239 VanDerWaalsContact C-N 3.3Å; N237-M239 PolarHBondContact O-N 3.41Å; M239-A717 HydrophobicContact CE-CB 3.93Å; M239-A717 HydrophobicContact CG-CB 4.46Å; M239-A717 HydrophobicContact SD-CB 3.51Å; M239-A717 VanDerWaalsContact SD-CB 3.51Å; M239-P718 HydrophobicContact CG-CG 4.24Å; M239-K721 HydrophobicContact CB-CD 4.36Å; M239-K721 WeakPolarHBondContact O-CD 3.4Å; M239-K721 WeakPolarHBondContact O-CE 3.33Å; M239-K721 PolarHBondContact O-NZ 2.97Å; M239-A739 HydrophobicContact CE-CB 3.8Å
240	M	79.8	Confident	80.3	Confident	73 Å²	73	48.8 Å²	48.8	36%	0.36	25%	0.249	S	C	.	.	H	α-helix	trans	-74	-42	176	-71.9	-167.7	72	0	0	112.3	I116 R236 N237 Q238 T242	I116-M240 HydrophobicContact CD1-CG 3.5Å; I116-M240 VanDerWaalsContact CD1-CG 3.5Å; I116-M240 HydrophobicContact CD1-SD 4.33Å; R236-M240 PolarHBondContact NH1-SD 3.43Å; R236-M240 PolarHBondContact NH2-SD 3.04Å; R236-M240 PolarHBondContact O-N 3.38Å; N237-M240 PolarHBondContact O-N 2.95Å; Q238-M240 VanDerWaalsContact C-N 3.29Å; Q238-M240 PolarHBondContact O-N 3.29Å; M240-T242 PolarHBondContact O-N 2.88Å
241	D	79.2	Confident	79.8	Confident	131 Å²	131	53 Å²	53	70%	0.701	27%	0.268	S	S	*	.	H	α-helix	trans	-72	-15.5	-178.8	-62.8	-21.9	0	0	0	112.3	N237 Q238 E243	N237-D241 WeakPolarHBondContact O-CB 3.41Å; N237-D241 PolarHBondContact O-N 3.43Å; Q238-D241 PolarHBondContact O-N 3.4Å; D241-E243 PolarHBondContact O-N 2.99Å
242	T	73.2	Confident	79.2	Confident	17 Å²	17	53 Å²	53	10%	0.104	27%	0.268	C	S	.	.			trans	-81.7	96.6	175.5	-58.3	0	0	0	0	109.9	Q238 M240 K721 K722	Q238-T242 WeakPolarHBondContact O-CB 3.26Å; Q238-T242 PolarHBondContact O-N 3.42Å; Q238-T242 VanDerWaalsContact O-N 3.08Å; Q238-T242 PolarHBondContact O-OG1 3.39Å; M240-T242 PolarHBondContact O-N 2.88Å; T242-K721 HydrophobicContact CG2-CG 4.22Å; T242-K721 WeakPolarHBondContact O-CE 3.31Å; T242-K722 HydrophobicContact CG2-CB 3.98Å; T242-K722 HydrophobicContact CG2-CD 3.57Å; T242-K722 HydrophobicContact CG2-CG 4.4Å
243	E	69.7	Low	78.6	Confident	160 Å²	160	54.8 Å²	54.8	75%	0.748	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-68.8	131.2	168.6	-66.8	-176.1	177.3	0	0	109.9	D241 D245	D241-E243 PolarHBondContact O-N 2.99Å; E243-D245 PolarHBondContact O-N 3.42Å
244	P	64.4	Low	78.1	Confident	110 Å²	110	57.1 Å²	57.1	71%	0.714	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-69.4	120.8	174.7	26.8	-30.8	0	0	0	109.8
245	D	70	Confident	77.8	Confident	116 Å²	116	58.2 Å²	58.2	62%	0.62	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-70.4	145.5	171.8	-81.4	-44	0	0	0	110.8	E243	E243-D245 PolarHBondContact O-N 3.42Å
246	K	74	Confident	77.4	Confident	113 Å²	113	59.4 Å²	59.4	49%	0.491	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-62	139.9	172.3	-68.7	-168.9	-177.4	-165.2	0	109.8	Q250 Q251 D254	K246-Q250 HydrophobicContact CB-CB 4.17Å; K246-Q251 HydrophobicContact CB-CG 3.89Å; K246-Q251 PolarHBondContact O-NE2 2.91Å; K246-D254 IonicContact NZ-OD2 3.92Å; K246-D254 PolarHBondContact NZ-OD2 3.08Å
247	T	75.8	Confident	77.1	Confident	18 Å²	18	59.4 Å²	59.4	11%	0.11	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-64.3	156.4	179.7	68.6	0	0	0	0	112.1	L249 Q250 Q251 P337 T341	T247-L249 PolarHBondContact O-N 3.32Å; T247-L249 VanDerWaalsContact O-N 3.16Å; T247-Q250 VanDerWaalsContact N-OE1 3.09Å; T247-Q250 PolarHBondContact O-N 3.08Å; T247-Q250 WeakPolarHBondContact OG1-CG 3.41Å; T247-Q250 PolarHBondContact OG1-N 3.42Å; T247-Q251 WeakPolarHBondContact O-CG 3.46Å; T247-Q251 PolarHBondContact O-N 2.98Å; T247-P337 HydrophobicContact CG2-CB 3.62Å; T247-T341 WeakPolarHBondContact CB-OG1 3.41Å
248	P	76.5	Confident	76.9	Confident	7 Å²	7	62.1 Å²	62.1	5%	0.045	31%	0.313	C	S	.	.	H	α-helix	trans	-49.4	-41.3	174.6	-32.1	38.3	0	0	0	113.6	K252 T341 I833	P248-K252 WeakPolarHBondContact O-CB 3.32Å; P248-K252 VanDerWaalsContact O-CG 3.22Å; P248-K252 WeakPolarHBondContact O-CG 2.95Å; P248-K252 PolarHBondContact O-N 3.12Å; P248-T341 HydrophobicContact CG-CG2 4.26Å; P248-I833 HydrophobicContact CB-CG2 4.16Å; P248-I833 HydrophobicContact CG-CG2 4.41Å
249	L	76	Confident	76.9	Confident	5 Å²	5	65.4 Å²	65.4	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-64.3	-48.1	175.2	-178.7	65.2	0	0	0	112.2	T247 Q251 K252 L253 I315 E340 M766	T247-L249 PolarHBondContact O-N 3.32Å; T247-L249 VanDerWaalsContact O-N 3.16Å; L249-Q251 VanDerWaalsContact C-N 3.34Å; L249-Q251 PolarHBondContact O-N 2.82Å; L249-K252 CarbonylContact O-C 3.46Å; L249-K252 PolarHBondContact O-N 2.91Å; L249-K252 VanDerWaalsContact O-N 3.13Å; L249-L253 HydrophobicContact CD1-CD1 4.27Å; L249-L253 HydrophobicContact CD1-CG 4.23Å; L249-L253 HydrophobicContact CD2-CD1 4.44Å; L249-L253 HydrophobicContact CG-CD1 3.9Å; L249-L253 HydrophobicContact CG-CG 4.29Å; L249-L253 VanDerWaalsContact O-CG 3.32Å; L249-L253 WeakPolarHBondContact O-CG 3.31Å; L249-L253 PolarHBondContact O-N 3.22Å; L249-I315 HydrophobicContact CD2-CG2 4.41Å; L249-E340 HydrophobicContact CB-CB 4.48Å; L249-E340 HydrophobicContact CB-CG 4Å; L249-E340 HydrophobicContact CD2-CB 4.29Å; L249-E340 HydrophobicContact CD2-CG 4.23Å; L249-E340 PolarHBondContact N-OE2 3.19Å; L249-M766 HydrophobicContact CD1-CE 4.42Å; L249-M766 HydrophobicContact CD2-CE 3.79Å; L249-M766 HydrophobicContact CD2-SD 3.85Å
250	Q	77.8	Confident	76.8	Confident	75 Å²	75	66.9 Å²	66.9	35%	0.35	34%	0.336	S	S	.	.	H	α-helix	trans	-60	-45.2	179.2	-76	173.7	-25.8	0	0	111.3	K246 T247 K252 L253 D254	K246-Q250 HydrophobicContact CB-CB 4.17Å; T247-Q250 VanDerWaalsContact N-OE1 3.09Å; T247-Q250 PolarHBondContact O-N 3.08Å; T247-Q250 WeakPolarHBondContact OG1-CG 3.41Å; T247-Q250 PolarHBondContact OG1-N 3.42Å; Q250-K252 VanDerWaalsContact C-N 3.27Å; Q250-K252 PolarHBondContact O-N 3.22Å; Q250-L253 PolarHBondContact O-N 3.43Å; Q250-D254 PolarHBondContact O-N 3.27Å
251	Q	82	Confident	76.8	Confident	91 Å²	91	63.7 Å²	63.7	43%	0.425	32%	0.321	S	S	.	.	H	α-helix	trans	-58.4	-40.9	175.3	-65.5	179.6	14.7	0	0	111.7	K246 T247 L249 E255	K246-Q251 HydrophobicContact CB-CG 3.89Å; K246-Q251 PolarHBondContact O-NE2 2.91Å; T247-Q251 WeakPolarHBondContact O-CG 3.46Å; T247-Q251 PolarHBondContact O-N 2.98Å; L249-Q251 VanDerWaalsContact C-N 3.34Å; L249-Q251 PolarHBondContact O-N 2.82Å; Q251-E255 WeakPolarHBondContact O-CB 3.09Å; Q251-E255 PolarHBondContact O-N 2.69Å
252	K	79.5	Confident	77.1	Confident	30 Å²	30	64 Å²	64	13%	0.13	32%	0.316	C	S	.	.	H	α-helix	trans	-72.2	-33.7	178.3	-71.1	-70.7	164.8	-160	0	113.2	P248 L249 Q250 E255 F256 I833 L837	P248-K252 WeakPolarHBondContact O-CB 3.32Å; P248-K252 VanDerWaalsContact O-CG 3.22Å; P248-K252 WeakPolarHBondContact O-CG 2.95Å; P248-K252 PolarHBondContact O-N 3.12Å; L249-K252 CarbonylContact O-C 3.46Å; L249-K252 PolarHBondContact O-N 2.91Å; L249-K252 VanDerWaalsContact O-N 3.13Å; Q250-K252 VanDerWaalsContact C-N 3.27Å; Q250-K252 PolarHBondContact O-N 3.22Å; K252-E255 IonicContact NZ-OE2 2.65Å; K252-E255 PolarHBondContact NZ-OE2 2.92Å; K252-F256 WeakPolarHBondContact O-CB 3.39Å; K252-F256 PolarHBondContact O-N 3.33Å; K252-I833 WeakPolarHBondContact CE-O 3.28Å; K252-L837 HydrophobicContact CB-CD1 3.94Å; K252-L837 HydrophobicContact CB-CG 4.43Å
253	L	77.3	Confident	77.5	Confident	40 Å²	40	66.8 Å²	66.8	21%	0.209	33%	0.333	C	S	.	.	H	α-helix	trans	-68.2	-41.3	173.1	-70.3	170.6	0	0	0	111.1	L249 Q250 F256 G257 L311 I315	L249-L253 HydrophobicContact CD1-CD1 4.27Å; L249-L253 HydrophobicContact CD1-CG 4.23Å; L249-L253 HydrophobicContact CD2-CD1 4.44Å; L249-L253 HydrophobicContact CG-CD1 3.9Å; L249-L253 HydrophobicContact CG-CG 4.29Å; L249-L253 VanDerWaalsContact O-CG 3.32Å; L249-L253 WeakPolarHBondContact O-CG 3.31Å; L249-L253 PolarHBondContact O-N 3.22Å; Q250-L253 PolarHBondContact O-N 3.43Å; L253-F256 PolarHBondContact O-N 3.46Å; L253-G257 PolarHBondContact O-N 2.89Å; L253-L311 HydrophobicContact CD2-CD2 4.26Å; L253-I315 HydrophobicContact CD1-CD1 3.78Å; L253-I315 HydrophobicContact CD2-CD1 3.84Å; L253-I315 HydrophobicContact CG-CD1 4.48Å
254	D	78.2	Confident	78	Confident	50 Å²	50	59.4 Å²	59.4	27%	0.267	30%	0.299	S	S	.	.	H	α-helix	trans	-63.5	-47.3	174.5	-72.2	-3.6	0	0	0	111	K246 Q250 F256 G257 Q258	K246-D254 IonicContact NZ-OD2 3.92Å; K246-D254 PolarHBondContact NZ-OD2 3.08Å; Q250-D254 PolarHBondContact O-N 3.27Å; D254-F256 VanDerWaalsContact C-N 3.32Å; D254-F256 PolarHBondContact O-N 3.05Å; D254-G257 PolarHBondContact O-N 3.42Å; D254-Q258 WeakPolarHBondContact O-CG 3.34Å; D254-Q258 PolarHBondContact O-N 2.95Å
255	E	82.4	Confident	78.8	Confident	85 Å²	85	57 Å²	57	40%	0.397	28%	0.284	S	S	.	.	H	α-helix	trans	-60	-45	176.6	-173.2	-178.2	-175.6	0	0	110.9	Q251 K252 Q258 Q259	Q251-E255 WeakPolarHBondContact O-CB 3.09Å; Q251-E255 PolarHBondContact O-N 2.69Å; K252-E255 IonicContact NZ-OE2 2.65Å; K252-E255 PolarHBondContact NZ-OE2 2.92Å; E255-Q258 PolarHBondContact O-N 3.14Å; E255-Q259 WeakPolarHBondContact O-CG 3.43Å; E255-Q259 PolarHBondContact O-N 2.93Å
256	F	77.8	Confident	79.6	Confident	31 Å²	31	57 Å²	57	14%	0.136	28%	0.284	C	S	.	.	H	α-helix	trans	-60.8	-47.1	175.3	172	-103.5	0	0	0	111.5	K252 L253 D254 Q258 Q259 L260 P308 I774	K252-F256 WeakPolarHBondContact O-CB 3.39Å; K252-F256 PolarHBondContact O-N 3.33Å; L253-F256 PolarHBondContact O-N 3.46Å; D254-F256 VanDerWaalsContact C-N 3.32Å; D254-F256 PolarHBondContact O-N 3.05Å; F256-Q258 VanDerWaalsContact C-N 3.33Å; F256-Q258 PolarHBondContact O-N 2.74Å; F256-Q259 PolarHBondContact O-N 2.92Å; F256-L260 HydrophobicContact CE1-CD2 3.97Å; F256-L260 HydrophobicContact CZ-CB 4.42Å; F256-L260 HydrophobicContact CZ-CD2 3.93Å; F256-L260 VanDerWaalsContact O-CB 3.32Å; F256-L260 WeakPolarHBondContact O-CB 3.47Å; F256-L260 PolarHBondContact O-N 3.4Å; F256-P308 HydrophobicContact CE1-CG 4.42Å; F256-I774 HydrophobicContact CD2-CD1 4.31Å; F256-I774 HydrophobicContact CE1-CD1 4.05Å; F256-I774 HydrophobicContact CE1-CG1 4.44Å; F256-I774 HydrophobicContact CE2-CD1 3.38Å; F256-I774 HydrophobicContact CE2-CG1 4.18Å; F256-I774 HydrophobicContact CZ-CD1 3.24Å; F256-I774 HydrophobicContact CZ-CG1 3.63Å
257	G	78.2	Confident	79.9	Confident	5 Å²	5	53.7 Å²	53.7	5%	0.052	27%	0.271	C	S	.	.	H	α-helix	trans	-62.2	-39.1	179.1	0	0	0	0	0	112.6	L253 D254 S261	L253-G257 PolarHBondContact O-N 2.89Å; D254-G257 PolarHBondContact O-N 3.42Å; G257-S261 VanDerWaalsContact O-CB 3.24Å; G257-S261 WeakPolarHBondContact O-CB 3.49Å; G257-S261 PolarHBondContact O-N 2.78Å
258	Q	82.4	Confident	80.1	Confident	108 Å²	108	53.9 Å²	53.9	51%	0.505	27%	0.272	S	S	.	.	H	α-helix	trans	-66.3	-42.1	173.8	-72	179.1	18.5	0	0	112.9	D254 E255 F256 K262	D254-Q258 WeakPolarHBondContact O-CG 3.34Å; D254-Q258 PolarHBondContact O-N 2.95Å; E255-Q258 PolarHBondContact O-N 3.14Å; F256-Q258 VanDerWaalsContact C-N 3.33Å; F256-Q258 PolarHBondContact O-N 2.74Å; Q258-K262 WeakPolarHBondContact O-CG 3.48Å; Q258-K262 PolarHBondContact O-N 2.68Å
259	Q	81	Confident	80.4	Confident	109 Å²	109	58.1 Å²	58.1	51%	0.509	30%	0.298	S	S	.	.	H	α-helix	trans	-64.3	-46.8	175.9	-75.6	-175.7	3.9	0	0	111	E255 F256 S261 K262 V263	E255-Q259 WeakPolarHBondContact O-CG 3.43Å; E255-Q259 PolarHBondContact O-N 2.93Å; F256-Q259 PolarHBondContact O-N 2.92Å; Q259-S261 PolarHBondContact O-N 3.48Å; Q259-K262 WeakPolarHBondContact O-CB 3.22Å; Q259-K262 PolarHBondContact O-N 3.34Å; Q259-V263 WeakPolarHBondContact O-CG2 3.33Å; Q259-V263 PolarHBondContact O-N 2.76Å
260	L	78	Confident	80.8	Confident	30 Å²	30	59.8 Å²	59.8	16%	0.157	31%	0.312	C	S	.	.	H	α-helix	trans	-60.1	-47.2	178.8	-174.2	64.2	0	0	0	110.9	F256 K262 V263 I264 P308	F256-L260 HydrophobicContact CE1-CD2 3.97Å; F256-L260 HydrophobicContact CZ-CB 4.42Å; F256-L260 HydrophobicContact CZ-CD2 3.93Å; F256-L260 VanDerWaalsContact O-CB 3.32Å; F256-L260 WeakPolarHBondContact O-CB 3.47Å; F256-L260 PolarHBondContact O-N 3.4Å; L260-K262 VanDerWaalsContact C-N 3.3Å; L260-K262 PolarHBondContact O-N 2.88Å; L260-V263 PolarHBondContact O-N 3.16Å; L260-V263 VanDerWaalsContact O-N 3.09Å; L260-I264 HydrophobicContact CD1-CD1 4.33Å; L260-I264 HydrophobicContact CD1-CG1 4.45Å; L260-I264 HydrophobicContact CD2-CD1 4.45Å; L260-I264 HydrophobicContact CG-CD1 3.83Å; L260-I264 HydrophobicContact CG-CG1 4.37Å; L260-I264 VanDerWaalsContact O-CG1 3.26Å; L260-I264 WeakPolarHBondContact O-CG1 3.31Å; L260-I264 PolarHBondContact O-N 2.88Å; L260-P308 HydrophobicContact CD2-CG 4.45Å
261	S	80.2	Confident	80.7	Confident	7 Å²	7	56.3 Å²	56.3	5%	0.049	30%	0.296	C	S	.	.	H	α-helix	trans	-55.4	-41.6	176	175.3	0	0	0	0	113.2	L60 I64 G257 Q259 S265	L60-S261 VanDerWaalsContact CD2-OG 3.31Å; L60-S261 WeakPolarHBondContact CD2-OG 3.32Å; I64-S261 WeakPolarHBondContact CD1-OG 3.3Å; G257-S261 VanDerWaalsContact O-CB 3.24Å; G257-S261 WeakPolarHBondContact O-CB 3.49Å; G257-S261 PolarHBondContact O-N 2.78Å; Q259-S261 PolarHBondContact O-N 3.48Å; S261-S265 WeakPolarHBondContact O-CB 3.43Å; S261-S265 PolarHBondContact O-N 2.99Å; S261-S265 PolarHBondContact O-OG 3.4Å
262	K	84.7	Confident	80.5	Confident	136 Å²	136	56.5 Å²	56.5	59%	0.591	29%	0.293	S	S	*	.	H	α-helix	trans	-64.7	-45.5	175.4	-73.6	171.6	-175.6	168.9	0	111.6	Q258 Q259 L260 S265 I266	Q258-K262 WeakPolarHBondContact O-CG 3.48Å; Q258-K262 PolarHBondContact O-N 2.68Å; Q259-K262 WeakPolarHBondContact O-CB 3.22Å; Q259-K262 PolarHBondContact O-N 3.34Å; L260-K262 VanDerWaalsContact C-N 3.3Å; L260-K262 PolarHBondContact O-N 2.88Å; K262-S265 PolarHBondContact O-N 2.8Å; K262-I266 VanDerWaalsContact O-CG1 3.28Å; K262-I266 WeakPolarHBondContact O-CG1 3.48Å; K262-I266 PolarHBondContact O-N 3.04Å
263	V	81.2	Confident	80.7	Confident	76 Å²	76	57.5 Å²	57.5	46%	0.461	31%	0.307	S	S	.	.	H	α-helix	trans	-62	-46.9	178.5	173.2	0	0	0	0	110.6	Q259 L260 S265 I266 I267	Q259-V263 WeakPolarHBondContact O-CG2 3.33Å; Q259-V263 PolarHBondContact O-N 2.76Å; L260-V263 PolarHBondContact O-N 3.16Å; L260-V263 VanDerWaalsContact O-N 3.09Å; V263-S265 VanDerWaalsContact C-N 3.35Å; V263-S265 PolarHBondContact O-N 3.26Å; V263-I266 PolarHBondContact O-N 2.9Å; V263-I267 HydrophobicContact CG1-CD1 3.78Å; V263-I267 HydrophobicContact CG1-CG1 4.42Å; V263-I267 WeakPolarHBondContact O-CG1 3.35Å; V263-I267 PolarHBondContact O-N 3.34Å
264	I	79.6	Confident	80.8	Confident	6 Å²	6	60 Å²	60	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-56.7	-50.6	176.5	-66.9	170.4	0	0	0	110.2	L260 I266 I267 C268 A303 A306 I307	L260-I264 HydrophobicContact CD1-CD1 4.33Å; L260-I264 HydrophobicContact CD1-CG1 4.45Å; L260-I264 HydrophobicContact CD2-CD1 4.45Å; L260-I264 HydrophobicContact CG-CD1 3.83Å; L260-I264 HydrophobicContact CG-CG1 4.37Å; L260-I264 VanDerWaalsContact O-CG1 3.26Å; L260-I264 WeakPolarHBondContact O-CG1 3.31Å; L260-I264 PolarHBondContact O-N 2.88Å; I264-I266 VanDerWaalsContact C-N 3.29Å; I264-I266 PolarHBondContact O-N 3.39Å; I264-I267 PolarHBondContact O-N 3.33Å; I264-I267 VanDerWaalsContact O-N 3.11Å; I264-C268 WeakPolarHBondContact O-CB 3.36Å; I264-C268 PolarHBondContact O-N 2.64Å; I264-C268 PolarHBondContact O-SG 3.34Å; I264-A303 HydrophobicContact CG2-CB 3.97Å; I264-A306 HydrophobicContact CD1-CB 3.42Å; I264-A306 VanDerWaalsContact CD1-CB 3.42Å; I264-A306 HydrophobicContact CG1-CB 3.4Å; I264-I307 HydrophobicContact CD1-CG1 3.83Å
265	S	82.3	Confident	80.7	Confident	58 Å²	58	57.8 Å²	57.8	41%	0.406	31%	0.308	S	S	.	.	H	α-helix	trans	-57.7	-42.2	-179.7	-60.8	0	0	0	0	112	S261 K262 V263 V269	S261-S265 WeakPolarHBondContact O-CB 3.43Å; S261-S265 PolarHBondContact O-N 2.99Å; S261-S265 PolarHBondContact O-OG 3.4Å; K262-S265 PolarHBondContact O-N 2.8Å; V263-S265 VanDerWaalsContact C-N 3.35Å; V263-S265 PolarHBondContact O-N 3.26Å; S265-V269 VanDerWaalsContact O-CG2 3.28Å; S265-V269 WeakPolarHBondContact O-CG2 3.49Å; S265-V269 PolarHBondContact O-N 2.9Å
266	I	86.2	Confident	80.6	Confident	118 Å²	118	57.3 Å²	57.3	61%	0.605	31%	0.307	S	S	*	.	H	α-helix	trans	-64	-45.1	176.9	-68.7	165.1	0	0	0	111	K262 V263 I264 V269 A270	K262-I266 VanDerWaalsContact O-CG1 3.28Å; K262-I266 WeakPolarHBondContact O-CG1 3.48Å; K262-I266 PolarHBondContact O-N 3.04Å; V263-I266 PolarHBondContact O-N 2.9Å; I264-I266 VanDerWaalsContact C-N 3.29Å; I264-I266 PolarHBondContact O-N 3.39Å; I266-V269 PolarHBondContact O-N 2.84Å; I266-A270 VanDerWaalsContact O-CB 3.32Å; I266-A270 WeakPolarHBondContact O-CB 3.4Å; I266-A270 PolarHBondContact O-N 2.94Å
267	I	80.7	Confident	80.4	Confident	43 Å²	43	59.1 Å²	59.1	22%	0.221	33%	0.334	C	S	.	.	H	α-helix	trans	-67.4	-44.3	-179.6	-62.8	171.8	0	0	0	110.7	V263 I264 V269 A270 V271 L302 V781 F785	V263-I267 HydrophobicContact CG1-CD1 3.78Å; V263-I267 HydrophobicContact CG1-CG1 4.42Å; V263-I267 WeakPolarHBondContact O-CG1 3.35Å; V263-I267 PolarHBondContact O-N 3.34Å; I264-I267 PolarHBondContact O-N 3.33Å; I264-I267 VanDerWaalsContact O-N 3.11Å; I267-V269 VanDerWaalsContact C-N 3.32Å; I267-V269 PolarHBondContact O-N 3.15Å; I267-A270 PolarHBondContact O-N 3.3Å; I267-A270 VanDerWaalsContact O-N 3.14Å; I267-V271 HydrophobicContact CG2-CG2 4.16Å; I267-V271 WeakPolarHBondContact O-CG2 3.49Å; I267-V271 PolarHBondContact O-N 3.49Å; I267-L302 HydrophobicContact CB-CD2 4.06Å; I267-L302 HydrophobicContact CG2-CD1 3.99Å; I267-L302 HydrophobicContact CG2-CD2 3.55Å; I267-L302 HydrophobicContact CG2-CG 4.39Å; I267-V781 HydrophobicContact CD1-CG1 3.95Å; I267-V781 HydrophobicContact CG2-CG1 4.34Å; I267-F785 HydrophobicContact CG2-CD2 4.46Å
268	C	80.3	Confident	80.1	Confident	22 Å²	22	62.7 Å²	62.7	15%	0.149	35%	0.349	C	S	.	.	H	α-helix	trans	-56	-46.4	175.4	-69.8	0	0	0	0	111.4	I264 W272 A299 L302	I264-C268 WeakPolarHBondContact O-CB 3.36Å; I264-C268 PolarHBondContact O-N 2.64Å; I264-C268 PolarHBondContact O-SG 3.34Å; C268-W272 WeakPolarHBondContact O-CB 3.18Å; C268-W272 PolarHBondContact O-N 3.21Å; C268-A299 HydrophobicContact CB-CB 4.29Å; C268-A299 PolarHBondContact SG-O 3.19Å; C268-A299 VanDerWaalsContact SG-O 3.35Å; C268-L302 VanDerWaalsContact SG-CD2 3.58Å
269	V	83.6	Confident	79.6	Confident	96 Å²	96	57.5 Å²	57.5	58%	0.582	33%	0.325	S	S	*	.	H	α-helix	trans	-65.4	-40.6	176.5	172.1	0	0	0	0	111.4	S265 I266 I267 W272 A273	S265-V269 VanDerWaalsContact O-CG2 3.28Å; S265-V269 WeakPolarHBondContact O-CG2 3.49Å; S265-V269 PolarHBondContact O-N 2.9Å; I266-V269 PolarHBondContact O-N 2.84Å; I267-V269 VanDerWaalsContact C-N 3.32Å; I267-V269 PolarHBondContact O-N 3.15Å; V269-W272 PolarHBondContact O-N 3.15Å; V269-A273 VanDerWaalsContact O-CB 3.23Å; V269-A273 WeakPolarHBondContact O-CB 3.37Å; V269-A273 PolarHBondContact O-N 3.44Å
270	A	82.4	Confident	79	Confident	39 Å²	39	57.5 Å²	57.5	32%	0.322	33%	0.329	S	S	.	.	H	α-helix	trans	-64.4	-46.5	178.6	0	0	0	0	0	112	I266 I267 W272 A273 I274	I266-A270 VanDerWaalsContact O-CB 3.32Å; I266-A270 WeakPolarHBondContact O-CB 3.4Å; I266-A270 PolarHBondContact O-N 2.94Å; I267-A270 PolarHBondContact O-N 3.3Å; I267-A270 VanDerWaalsContact O-N 3.14Å; A270-W272 VanDerWaalsContact C-N 3.35Å; A270-W272 PolarHBondContact O-N 2.97Å; A270-A273 PolarHBondContact O-N 2.91Å; A270-I274 WeakPolarHBondContact O-CB 3.14Å; A270-I274 WeakPolarHBondContact O-CD1 3.18Å; A270-I274 WeakPolarHBondContact O-CG1 3.49Å; A270-I274 PolarHBondContact O-N 3.5Å
271	V	77.3	Confident	78.5	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.012	33%	0.326	C	S	.	.	H	α-helix	trans	-60.9	-45.8	176.2	172	0	0	0	0	110.5	I267 A273 N275 I298 L302 F785 A788	I267-V271 HydrophobicContact CG2-CG2 4.16Å; I267-V271 WeakPolarHBondContact O-CG2 3.49Å; I267-V271 PolarHBondContact O-N 3.49Å; V271-A273 PolarHBondContact O-N 3.41Å; V271-N275 WeakPolarHBondContact O-CB 3.42Å; V271-N275 PolarHBondContact O-N 3.2Å; V271-N275 PolarHBondContact O-ND2 3.36Å; V271-I298 HydrophobicContact CG1-CG2 4.2Å; V271-L302 HydrophobicContact CG2-CD1 4.27Å; V271-F785 HydrophobicContact CG2-CD2 3.45Å; V271-F785 VanDerWaalsContact CG2-CD2 3.45Å; V271-F785 HydrophobicContact CG2-CE2 3.88Å; V271-A788 HydrophobicContact CG1-CB 4.22Å
272	W	78	Confident	77.6	Confident	96 Å²	96	60.1 Å²	60.1	36%	0.364	35%	0.346	S	S	.	.	H	α-helix	trans	-60.7	-45.7	177	-173.1	82.9	0	0	0	111.2	C268 V269 A270 N275 I276 F279	C268-W272 WeakPolarHBondContact O-CB 3.18Å; C268-W272 PolarHBondContact O-N 3.21Å; V269-W272 PolarHBondContact O-N 3.15Å; A270-W272 VanDerWaalsContact C-N 3.35Å; A270-W272 PolarHBondContact O-N 2.97Å; W272-N275 PolarHBondContact O-N 3.05Å; W272-I276 HydrophobicContact CE3-CD1 4.05Å; W272-I276 HydrophobicContact CE3-CG1 4.38Å; W272-I276 HydrophobicContact CH2-CD1 4.17Å; W272-I276 HydrophobicContact CZ3-CD1 3.72Å; W272-I276 HydrophobicContact CZ3-CG1 4.33Å; W272-I276 WeakPolarHBondContact O-CG1 3.24Å; W272-I276 PolarHBondContact O-N 3.01Å; W272-F279 AromaticContact CD1-CZ 3.76Å; W272-F279 HydrophobicContact CD2-CZ 4.31Å; W272-F279 AromaticContact CE2-CE2 3.86Å; W272-F279 AromaticContact CE2-CZ 3.74Å; W272-F279 HydrophobicContact CG-CZ 4.32Å; W272-F279 AromaticContact CZ2-CE2 3.91Å; W272-F279 HydrophobicContact CZ2-CE2 3.91Å; W272-F279 HydrophobicContact CZ2-CZ 4.25Å; W272-F279 AromaticContact NE1-CE2 3.73Å; W272-F279 AromaticContact NE1-CZ 3.38Å
273	A	82.2	Confident	76.3	Confident	50 Å²	50	56 Å²	56	41%	0.413	34%	0.337	S	S	.	.	H	α-helix	trans	-65.7	-43	-179.5	0	0	0	0	0	113.5	V269 A270 V271 N275 I276	V269-A273 VanDerWaalsContact O-CB 3.23Å; V269-A273 WeakPolarHBondContact O-CB 3.37Å; V269-A273 PolarHBondContact O-N 3.44Å; A270-A273 PolarHBondContact O-N 2.91Å; V271-A273 PolarHBondContact O-N 3.41Å; A273-N275 PolarHBondContact O-N 2.88Å; A273-I276 PolarHBondContact O-N 3.05Å
274	I	80	Confident	75.3	Confident	93 Å²	93	54 Å²	54	48%	0.477	32%	0.323	S	S	.	.	H	α-helix	trans	-60.1	-36.1	176.5	-70	164.9	0	0	0	110.3	A270 F785	A270-I274 WeakPolarHBondContact O-CB 3.14Å; A270-I274 WeakPolarHBondContact O-CD1 3.18Å; A270-I274 WeakPolarHBondContact O-CG1 3.49Å; A270-I274 PolarHBondContact O-N 3.5Å; I274-F785 HydrophobicContact CD1-CE2 4.17Å; I274-F785 HydrophobicContact CD1-CZ 4.19Å
275	N	76.2	Confident	74.2	Confident	4 Å²	4	57 Å²	57	2%	0.021	36%	0.355	C	S	.	.	H	α-helix	trans	-89.9	-1.6	-175.4	-73.9	-59.8	0	0	0	115.3	V271 W272 A273 G277 H278 F279 Y295 A788	V271-N275 WeakPolarHBondContact O-CB 3.42Å; V271-N275 PolarHBondContact O-N 3.2Å; V271-N275 PolarHBondContact O-ND2 3.36Å; W272-N275 PolarHBondContact O-N 3.05Å; A273-N275 PolarHBondContact O-N 2.88Å; N275-G277 PolarHBondContact O-N 3.31Å; N275-G277 VanDerWaalsContact O-N 3.11Å; N275-H278 PolarHBondContact O-N 3.48Å; N275-F279 HydrophobicContact CB-CE1 4.29Å; N275-F279 WeakPolarHBondContact O-CD1 3.5Å; N275-F279 VanDerWaalsContact O-CE1 3.32Å; N275-F279 WeakPolarHBondContact O-CE1 3.39Å; N275-Y295 HydrophobicContact CB-CD1 3.38Å; N275-Y295 HydrophobicContact CB-CD2 4.09Å; N275-Y295 HydrophobicContact CB-CE1 3.33Å; N275-Y295 HydrophobicContact CB-CE2 4.03Å; N275-Y295 HydrophobicContact CB-CG 3.77Å; N275-Y295 VanDerWaalsContact OD1-CE1 3.27Å; N275-Y295 WeakPolarHBondContact OD1-CE1 3.45Å; N275-A788 PolarHBondContact OD1-O 3.19Å
276	I	79.7	Confident	73.1	Confident	75 Å²	75	56.6 Å²	56.6	39%	0.385	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-53.1	-35.6	176.1	-77.4	170.7	0	0	0	111.9	W272 A273 H278 F279	W272-I276 HydrophobicContact CE3-CD1 4.05Å; W272-I276 HydrophobicContact CE3-CG1 4.38Å; W272-I276 HydrophobicContact CH2-CD1 4.17Å; W272-I276 HydrophobicContact CZ3-CD1 3.72Å; W272-I276 HydrophobicContact CZ3-CG1 4.33Å; W272-I276 WeakPolarHBondContact O-CG1 3.24Å; W272-I276 PolarHBondContact O-N 3.01Å; A273-I276 PolarHBondContact O-N 3.05Å; I276-H278 PolarHBondContact O-N 3.03Å; I276-F279 HydrophobicContact CG1-CE2 4.28Å; I276-F279 HydrophobicContact CG1-CZ 4.16Å; I276-F279 PolarHBondContact O-N 3.35Å
277	G	73.9	Confident	72.2	Confident	68 Å²	68	53.3 Å²	53.3	70%	0.701	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-62	-27.5	178	0	0	0	0	0	113.9	N275	N275-G277 PolarHBondContact O-N 3.31Å; N275-G277 VanDerWaalsContact O-N 3.11Å
278	H	72	Confident	72	Confident	80 Å²	80	57.7 Å²	57.7	37%	0.37	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-92.8	-2.3	-179	-71.8	-77.2	0	0	0	113.5	N275 I276 N280 D281 Y295	N275-H278 PolarHBondContact O-N 3.48Å; I276-H278 PolarHBondContact O-N 3.03Å; H278-N280 PolarHBondContact O-N 3.03Å; H278-N280 VanDerWaalsContact O-N 3.17Å; H278-D281 IonicContact CE1-OD2 3.87Å; H278-D281 IonicContact CG-OD2 3.63Å; H278-D281 IonicContact ND1-OD2 2.8Å; H278-D281 PolarHBondContact ND1-OD2 3.19Å; H278-D281 WeakPolarHBondContact O-CB 3.48Å; H278-D281 PolarHBondContact O-N 3.42Å; H278-Y295 HydrophobicContact CB-CE2 3.96Å; H278-Y295 VanDerWaalsContact CB-OH 3.28Å; H278-Y295 WeakPolarHBondContact CB-OH 3.48Å
279	F	72.8	Confident	71.8	Confident	0 Å²	0	62 Å²	62	0%	0	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-24.8	-179	-74.7	17.4	0	0	0	112.6	W272 N275 I276 W288 A292 Y295	W272-F279 AromaticContact CD1-CZ 3.76Å; W272-F279 HydrophobicContact CD2-CZ 4.31Å; W272-F279 AromaticContact CE2-CE2 3.86Å; W272-F279 AromaticContact CE2-CZ 3.74Å; W272-F279 HydrophobicContact CG-CZ 4.32Å; W272-F279 AromaticContact CZ2-CE2 3.91Å; W272-F279 HydrophobicContact CZ2-CE2 3.91Å; W272-F279 HydrophobicContact CZ2-CZ 4.25Å; W272-F279 AromaticContact NE1-CE2 3.73Å; W272-F279 AromaticContact NE1-CZ 3.38Å; N275-F279 HydrophobicContact CB-CE1 4.29Å; N275-F279 WeakPolarHBondContact O-CD1 3.5Å; N275-F279 VanDerWaalsContact O-CE1 3.32Å; N275-F279 WeakPolarHBondContact O-CE1 3.39Å; I276-F279 HydrophobicContact CG1-CE2 4.28Å; I276-F279 HydrophobicContact CG1-CZ 4.16Å; I276-F279 PolarHBondContact O-N 3.35Å; F279-W288 HydrophobicContact CB-CG 4.34Å; F279-W288 HydrophobicContact CD2-CD2 4.47Å; F279-W288 AromaticContact CD2-CE2 3.77Å; F279-W288 HydrophobicContact CD2-CZ2 4.02Å; F279-W288 AromaticContact CD2-NE1 3.57Å; F279-W288 HydrophobicContact CE2-CZ2 4.41Å; F279-A292 HydrophobicContact CD2-CB 3.79Å; F279-A292 HydrophobicContact CE2-CB 3.72Å; F279-Y295 AromaticContact CD1-CD2 3.45Å; F279-Y295 HydrophobicContact CD1-CD2 3.45Å; F279-Y295 VanDerWaalsContact CD1-CD2 3.45Å; F279-Y295 AromaticContact CD1-CE2 3.95Å; F279-Y295 HydrophobicContact CD1-CE2 3.95Å; F279-Y295 HydrophobicContact CD1-CG 4.3Å; F279-Y295 AromaticContact CE1-CD2 3.33Å; F279-Y295 HydrophobicContact CE1-CD2 3.33Å; F279-Y295 HydrophobicContact CE1-CE2 4.15Å; F279-Y295 AromaticContact CE1-CG 3.71Å; F279-Y295 HydrophobicContact CE1-CG 3.71Å; F279-Y295 HydrophobicContact CZ-CD2 4.46Å
280	N	67.8	Low	71.1	Confident	109 Å²	109	63.6 Å²	63.6	58%	0.583	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	7.4	177	-70	-27.5	0	0	0	113.3	H278 W288	H278-N280 PolarHBondContact O-N 3.03Å; H278-N280 VanDerWaalsContact O-N 3.17Å; N280-W288 VanDerWaalsContact OD1-CD1 3.3Å
281	D	67	Low	70.7	Confident	21 Å²	21	61.8 Å²	61.8	11%	0.112	37%	0.367	C	S	.	.			trans	-62.2	141.2	-178	-98.7	-31.2	0	0	0	111.6	H278 A283 H284 Q884	H278-D281 IonicContact CE1-OD2 3.87Å; H278-D281 IonicContact CG-OD2 3.63Å; H278-D281 IonicContact ND1-OD2 2.8Å; H278-D281 PolarHBondContact ND1-OD2 3.19Å; H278-D281 WeakPolarHBondContact O-CB 3.48Å; H278-D281 PolarHBondContact O-N 3.42Å; D281-A283 PolarHBondContact O-N 3.5Å; D281-H284 PolarHBondContact O-N 3.41Å; D281-Q884 PolarHBondContact OD1-NE2 2.98Å
282	P	61.5	Low	70.7	Confident	70 Å²	70	62.4 Å²	62.4	46%	0.455	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-56.6	-26.4	-176.7	-22.7	31.1	0	0	0	114	H284 G285 A887	P282-H284 PolarHBondContact O-N 3.47Å; P282-G285 WeakPolarHBondContact O-CA 3.42Å; P282-G285 PolarHBondContact O-N 2.91Å; P282-A887 HydrophobicContact CB-CB 3.91Å; P282-A887 HydrophobicContact CG-CB 4.44Å
283	A	58.4	Low	70.6	Confident	50 Å²	50	61.5 Å²	61.5	41%	0.413	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-54.1	-33.8	179.7	0	0	0	0	0	114	D281 G285 S883	D281-A283 PolarHBondContact O-N 3.5Å; A283-G285 PolarHBondContact O-N 2.96Å; A283-S883 VanDerWaalsContact CB-CB 3.42Å; A283-S883 WeakPolarHBondContact CB-O 3.29Å
284	H	59.1	Low	70.1	Confident	33 Å²	33	62.3 Å²	62.3	15%	0.153	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-88.7	15	-179.6	-56	98.1	0	0	0	112.2	D281 P282 G286 K290 Y294	D281-H284 PolarHBondContact O-N 3.41Å; P282-H284 PolarHBondContact O-N 3.47Å; H284-G286 VanDerWaalsContact C-N 3.34Å; H284-K290 HydrophobicContact CB-CB 4Å; H284-K290 WeakPolarHBondContact O-CD 3.23Å; H284-Y294 AromaticContact NE2-CD1 3.55Å; H284-Y294 AromaticContact NE2-CG 3.62Å
285	G	56.2	Low	70	Confident	69 Å²	69	58.7 Å²	58.7	71%	0.711	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	19.6	-174.8	0	0	0	0	0	113.9	P282 A283 S287	P282-G285 WeakPolarHBondContact O-CA 3.42Å; P282-G285 PolarHBondContact O-N 2.91Å; A283-G285 PolarHBondContact O-N 2.96Å; G285-S287 PolarHBondContact O-N 3.29Å
286	G	59	Low	69.9	Low	51 Å²	51	63 Å²	63	53%	0.526	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	10.8	-175.9	0	0	0	0	0	114.5	H284	H284-G286 VanDerWaalsContact C-N 3.34Å
287	S	69	Low	69.6	Low	48 Å²	48	62.8 Å²	62.8	34%	0.336	36%	0.362	S	S	.	.			trans	-94.5	112.6	177.2	179.5	0	0	0	0	110.4	G285 L289 K290 G291	G285-S287 PolarHBondContact O-N 3.29Å; S287-L289 PolarHBondContact O-N 2.98Å; S287-L289 VanDerWaalsContact O-N 3.1Å; S287-K290 PolarHBondContact O-N 3.35Å; S287-G291 PolarHBondContact O-N 3.2Å
288	W	76.5	Confident	69.7	Low	135 Å²	135	60.2 Å²	60.2	51%	0.511	33%	0.332	S	S	.	.	H	α-helix	trans	-51.7	-33.5	174	-172.6	80.8	0	0	0	112.4	F279 N280 A292	F279-W288 HydrophobicContact CB-CG 4.34Å; F279-W288 HydrophobicContact CD2-CD2 4.47Å; F279-W288 AromaticContact CD2-CE2 3.77Å; F279-W288 HydrophobicContact CD2-CZ2 4.02Å; F279-W288 AromaticContact CD2-NE1 3.57Å; F279-W288 HydrophobicContact CE2-CZ2 4.41Å; N280-W288 VanDerWaalsContact OD1-CD1 3.3Å; W288-A292 WeakPolarHBondContact O-CB 3.46Å; W288-A292 PolarHBondContact O-N 2.76Å
289	L	74.7	Confident	69.9	Low	113 Å²	113	56.9 Å²	56.9	59%	0.592	32%	0.319	S	S	*	.	H	α-helix	trans	-67.2	-41.5	178.7	-165.8	75.3	0	0	0	112.3	S287 A292 I293	S287-L289 PolarHBondContact O-N 2.98Å; S287-L289 VanDerWaalsContact O-N 3.1Å; L289-A292 PolarHBondContact O-N 3.47Å; L289-I293 HydrophobicContact CG-CD1 4.27Å; L289-I293 VanDerWaalsContact O-CG1 3.27Å; L289-I293 WeakPolarHBondContact O-CG1 3.49Å; L289-I293 PolarHBondContact O-N 2.91Å
290	K	69.9	Low	69.9	Low	130 Å²	130	57.5 Å²	57.5	57%	0.565	32%	0.322	S	S	*	.	H	α-helix	trans	-68.6	-40.2	178.2	-77.6	-170.5	173.2	-172.1	0	111.4	H284 S287 I293 Y294	H284-K290 HydrophobicContact CB-CB 4Å; H284-K290 WeakPolarHBondContact O-CD 3.23Å; S287-K290 PolarHBondContact O-N 3.35Å; K290-I293 PolarHBondContact O-N 3.26Å; K290-Y294 PolarHBondContact O-N 3.26Å
291	G	74.3	Confident	70.1	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.4	-44.6	173.2	0	0	0	0	0	112.4	S287 I293 Y294 Y295	S287-G291 PolarHBondContact O-N 3.2Å; G291-I293 VanDerWaalsContact C-N 3.33Å; G291-I293 PolarHBondContact O-N 3.25Å; G291-Y294 PolarHBondContact O-N 3.35Å; G291-Y295 WeakPolarHBondContact O-CD2 3.28Å; G291-Y295 PolarHBondContact O-N 3.45Å
292	A	77.4	Confident	70.7	Confident	16 Å²	16	52 Å²	52	13%	0.132	30%	0.295	C	S	.	.	H	α-helix	trans	-60.5	-41.4	176.1	0	0	0	0	0	112.3	F279 W288 L289 F296	F279-A292 HydrophobicContact CD2-CB 3.79Å; F279-A292 HydrophobicContact CE2-CB 3.72Å; W288-A292 WeakPolarHBondContact O-CB 3.46Å; W288-A292 PolarHBondContact O-N 2.76Å; L289-A292 PolarHBondContact O-N 3.47Å; A292-F296 WeakPolarHBondContact O-CB 3.28Å; A292-F296 PolarHBondContact O-N 3.16Å
293	I	75	Confident	71.4	Confident	77 Å²	77	49.1 Å²	49.1	40%	0.395	28%	0.277	S	S	.	.	H	α-helix	trans	-63.6	-43	175.8	-72.6	167	0	0	0	111.4	L75 L289 K290 G291 F296 K297	L75-I293 HydrophobicContact CD2-CG2 3.38Å; L289-I293 HydrophobicContact CG-CD1 4.27Å; L289-I293 VanDerWaalsContact O-CG1 3.27Å; L289-I293 WeakPolarHBondContact O-CG1 3.49Å; L289-I293 PolarHBondContact O-N 2.91Å; K290-I293 PolarHBondContact O-N 3.26Å; G291-I293 VanDerWaalsContact C-N 3.33Å; G291-I293 PolarHBondContact O-N 3.25Å; I293-F296 WeakPolarHBondContact O-CB 3.35Å; I293-F296 PolarHBondContact O-N 3.26Å; I293-K297 PolarHBondContact O-N 2.77Å
294	Y	72.9	Confident	72.1	Confident	66 Å²	66	46.8 Å²	46.8	26%	0.259	26%	0.258	S	S	.	.	H	α-helix	trans	-61.7	-49.8	178.7	179	-103.7	0	0	0	112.2	H284 K290 G291 F296 K297 I298 E794	H284-Y294 AromaticContact NE2-CD1 3.55Å; H284-Y294 AromaticContact NE2-CG 3.62Å; K290-Y294 PolarHBondContact O-N 3.26Å; G291-Y294 PolarHBondContact O-N 3.35Å; Y294-F296 PolarHBondContact O-N 3.44Å; Y294-K297 WeakPolarHBondContact O-CA 3.38Å; Y294-K297 VanDerWaalsContact O-CB 3.31Å; Y294-K297 WeakPolarHBondContact O-CB 3.29Å; Y294-K297 PolarHBondContact O-N 2.68Å; Y294-K297 VanDerWaalsContact O-N 3.07Å; Y294-I298 HydrophobicContact CD1-CD1 4.33Å; Y294-I298 HydrophobicContact CE1-CD1 3.63Å; Y294-I298 HydrophobicContact CE1-CG1 4.34Å; Y294-I298 PolarHBondContact O-N 3Å; Y294-E794 PolarHBondContact OH-OE1 3.35Å
295	Y	76.4	Confident	73.1	Confident	17 Å²	17	45.2 Å²	45.2	7%	0.067	25%	0.25	C	S	.	.	H	α-helix	trans	-70	-23.8	177.7	-75.2	-71.3	0	0	0	113.2	N275 H278 F279 G291 I298 A299	N275-Y295 HydrophobicContact CB-CD1 3.38Å; N275-Y295 HydrophobicContact CB-CD2 4.09Å; N275-Y295 HydrophobicContact CB-CE1 3.33Å; N275-Y295 HydrophobicContact CB-CE2 4.03Å; N275-Y295 HydrophobicContact CB-CG 3.77Å; N275-Y295 VanDerWaalsContact OD1-CE1 3.27Å; N275-Y295 WeakPolarHBondContact OD1-CE1 3.45Å; H278-Y295 HydrophobicContact CB-CE2 3.96Å; H278-Y295 VanDerWaalsContact CB-OH 3.28Å; H278-Y295 WeakPolarHBondContact CB-OH 3.48Å; F279-Y295 AromaticContact CD1-CD2 3.45Å; F279-Y295 HydrophobicContact CD1-CD2 3.45Å; F279-Y295 VanDerWaalsContact CD1-CD2 3.45Å; F279-Y295 AromaticContact CD1-CE2 3.95Å; F279-Y295 HydrophobicContact CD1-CE2 3.95Å; F279-Y295 HydrophobicContact CD1-CG 4.3Å; F279-Y295 AromaticContact CE1-CD2 3.33Å; F279-Y295 HydrophobicContact CE1-CD2 3.33Å; F279-Y295 HydrophobicContact CE1-CE2 4.15Å; F279-Y295 AromaticContact CE1-CG 3.71Å; F279-Y295 HydrophobicContact CE1-CG 3.71Å; F279-Y295 HydrophobicContact CZ-CD2 4.46Å; G291-Y295 WeakPolarHBondContact O-CD2 3.28Å; G291-Y295 PolarHBondContact O-N 3.45Å; Y295-I298 HydrophobicContact CD1-CD1 4.17Å; Y295-I298 HydrophobicContact CE1-CD1 4.35Å; Y295-A299 PolarHBondContact O-N 3.21Å
296	F	75.3	Confident	74.3	Confident	94 Å²	94	42.2 Å²	42.2	41%	0.412	22%	0.219	S	C	.	.	H	α-helix	trans	-69.6	-38.6	168.7	-165.7	-110	0	0	0	111.8	I71 A292 I293 Y294 I298 A299 V300	I71-F296 HydrophobicContact CB-CE1 4.48Å; I71-F296 HydrophobicContact CD1-CE1 3.59Å; I71-F296 HydrophobicContact CD1-CZ 3.73Å; I71-F296 HydrophobicContact CG1-CE1 4.07Å; I71-F296 HydrophobicContact CG2-CD1 4.01Å; I71-F296 HydrophobicContact CG2-CE1 3.63Å; A292-F296 WeakPolarHBondContact O-CB 3.28Å; A292-F296 PolarHBondContact O-N 3.16Å; I293-F296 WeakPolarHBondContact O-CB 3.35Å; I293-F296 PolarHBondContact O-N 3.26Å; Y294-F296 PolarHBondContact O-N 3.44Å; F296-I298 PolarHBondContact O-N 3.17Å; F296-A299 WeakPolarHBondContact O-CB 3.44Å; F296-A299 PolarHBondContact O-N 2.93Å; F296-A299 VanDerWaalsContact O-N 3.14Å; F296-V300 HydrophobicContact CE1-CG2 4.45Å; F296-V300 WeakPolarHBondContact O-CG2 3.42Å; F296-V300 PolarHBondContact O-N 3.45Å
297	K	72.3	Confident	75.3	Confident	72 Å²	72	40.1 Å²	40.1	31%	0.313	20%	0.195	S	C	.	.	H	α-helix	trans	-59.6	-43.7	171	-174.5	179.1	179.6	175	0	111.3	L75 E79 I293 Y294 A299 V300 A301	L75-K297 HydrophobicContact CD1-CB 4.28Å; L75-K297 HydrophobicContact CD1-CG 4.45Å; E79-K297 IonicContact OE1-NZ 3.35Å; I293-K297 PolarHBondContact O-N 2.77Å; Y294-K297 WeakPolarHBondContact O-CA 3.38Å; Y294-K297 VanDerWaalsContact O-CB 3.31Å; Y294-K297 WeakPolarHBondContact O-CB 3.29Å; Y294-K297 PolarHBondContact O-N 2.68Å; Y294-K297 VanDerWaalsContact O-N 3.07Å; K297-A299 VanDerWaalsContact C-N 3.32Å; K297-A299 PolarHBondContact O-N 3.03Å; K297-V300 PolarHBondContact O-N 2.95Å; K297-A301 WeakPolarHBondContact O-CB 3.12Å; K297-A301 PolarHBondContact O-N 3.01Å
298	I	76	Confident	75.9	Confident	14 Å²	14	38.4 Å²	38.4	7%	0.072	18%	0.183	C	C	.	.	H	α-helix	trans	-60.3	-41.6	173	-67.2	-173.2	0	0	0	111.4	V271 Y294 Y295 F296 V300 A301 L302 I784 A788	V271-I298 HydrophobicContact CG1-CG2 4.2Å; Y294-I298 HydrophobicContact CD1-CD1 4.33Å; Y294-I298 HydrophobicContact CE1-CD1 3.63Å; Y294-I298 HydrophobicContact CE1-CG1 4.34Å; Y294-I298 PolarHBondContact O-N 3Å; Y295-I298 HydrophobicContact CD1-CD1 4.17Å; Y295-I298 HydrophobicContact CE1-CD1 4.35Å; F296-I298 PolarHBondContact O-N 3.17Å; I298-V300 VanDerWaalsContact C-N 3.31Å; I298-V300 PolarHBondContact O-N 2.76Å; I298-A301 PolarHBondContact O-N 2.82Å; I298-L302 WeakPolarHBondContact O-CB 3.39Å; I298-L302 PolarHBondContact O-N 3.4Å; I298-I784 HydrophobicContact CG2-CG2 4.12Å; I298-A788 HydrophobicContact CD1-CB 4.4Å; I298-A788 HydrophobicContact CG2-CB 4.06Å
299	A	76.8	Confident	76	Confident	10 Å²	10	32.2 Å²	32.2	8%	0.083	16%	0.16	C	C	.	.	H	α-helix	trans	-63.4	-37.6	177.8	0	0	0	0	0	112.2	C268 Y295 F296 K297 A303	C268-A299 HydrophobicContact CB-CB 4.29Å; C268-A299 PolarHBondContact SG-O 3.19Å; C268-A299 VanDerWaalsContact SG-O 3.35Å; Y295-A299 PolarHBondContact O-N 3.21Å; F296-A299 WeakPolarHBondContact O-CB 3.44Å; F296-A299 PolarHBondContact O-N 2.93Å; F296-A299 VanDerWaalsContact O-N 3.14Å; K297-A299 VanDerWaalsContact C-N 3.32Å; K297-A299 PolarHBondContact O-N 3.03Å; A299-A303 PolarHBondContact O-N 2.75Å
300	V	72.5	Confident	76.2	Confident	12 Å²	12	26.9 Å²	26.9	7%	0.073	13%	0.133	C	C	.	.	H	α-helix	trans	-67.3	-46.5	173.8	174.1	0	0	0	0	111.1	A68 I71 F296 K297 I298 L302 A303 V304	A68-V300 HydrophobicContact CB-CG1 3.66Å; I71-V300 HydrophobicContact CD1-CG2 4.34Å; I71-V300 HydrophobicContact CG2-CG2 4.01Å; F296-V300 HydrophobicContact CE1-CG2 4.45Å; F296-V300 WeakPolarHBondContact O-CG2 3.42Å; F296-V300 PolarHBondContact O-N 3.45Å; K297-V300 PolarHBondContact O-N 2.95Å; I298-V300 VanDerWaalsContact C-N 3.31Å; I298-V300 PolarHBondContact O-N 2.76Å; V300-L302 VanDerWaalsContact C-N 3.26Å; V300-L302 PolarHBondContact O-N 2.97Å; V300-A303 WeakPolarHBondContact O-CB 3.02Å; V300-A303 PolarHBondContact O-N 2.73Å; V300-V304 WeakPolarHBondContact O-CG2 3.12Å; V300-V304 PolarHBondContact O-N 3.41Å
301	A	72.9	Confident	76.9	Confident	14 Å²	14	21.3 Å²	21.3	12%	0.116	11%	0.109	C	C	.	.	H	α-helix	trans	-56.2	-42.4	175.1	0	0	0	0	0	111.8	K297 I298 V304 A305 P798	K297-A301 WeakPolarHBondContact O-CB 3.12Å; K297-A301 PolarHBondContact O-N 3.01Å; I298-A301 PolarHBondContact O-N 2.82Å; A301-V304 PolarHBondContact O-N 3.44Å; A301-A305 WeakPolarHBondContact O-CB 3.01Å; A301-A305 PolarHBondContact O-N 3.06Å; A301-P798 HydrophobicContact CB-CG 3.61Å
302	L	79.3	Confident	77.1	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-65.8	-36.5	175.8	-172.8	129.2	0	0	0	112.5	I267 C268 V271 I298 V300 A306 V781 I784	I267-L302 HydrophobicContact CB-CD2 4.06Å; I267-L302 HydrophobicContact CG2-CD1 3.99Å; I267-L302 HydrophobicContact CG2-CD2 3.55Å; I267-L302 HydrophobicContact CG2-CG 4.39Å; C268-L302 VanDerWaalsContact SG-CD2 3.58Å; V271-L302 HydrophobicContact CG2-CD1 4.27Å; I298-L302 WeakPolarHBondContact O-CB 3.39Å; I298-L302 PolarHBondContact O-N 3.4Å; V300-L302 VanDerWaalsContact C-N 3.26Å; V300-L302 PolarHBondContact O-N 2.97Å; L302-A306 WeakPolarHBondContact O-CB 3.38Å; L302-A306 PolarHBondContact O-N 3.24Å; L302-A306 VanDerWaalsContact O-N 3.15Å; L302-V781 HydrophobicContact CD1-CG1 4.3Å; L302-V781 HydrophobicContact CG-CG1 4.48Å; L302-I784 HydrophobicContact CB-CG2 4.15Å; L302-I784 HydrophobicContact CD1-CB 4.17Å; L302-I784 HydrophobicContact CD1-CG2 3.85Å
303	A	76.6	Confident	77.3	Confident	10 Å²	10	25 Å²	25	8%	0.083	13%	0.134	C	C	.	.	H	α-helix	trans	-65.1	-42.6	174.8	0	0	0	0	0	111.7	I64 I264 A299 V300 A306 I307	I64-A303 HydrophobicContact CG2-CB 4.45Å; I264-A303 HydrophobicContact CG2-CB 3.97Å; A299-A303 PolarHBondContact O-N 2.75Å; V300-A303 WeakPolarHBondContact O-CB 3.02Å; V300-A303 PolarHBondContact O-N 2.73Å; A303-A306 PolarHBondContact O-N 2.93Å; A303-I307 WeakPolarHBondContact O-CG1 3.38Å; A303-I307 PolarHBondContact O-N 2.74Å
304	V	73.2	Confident	77.9	Confident	1 Å²	1	21.5 Å²	21.5	1%	0.006	12%	0.116	C	C	.	.	H	α-helix	trans	-62.8	-48.2	175.6	174.3	0	0	0	0	110.7	A68 I94 V300 A301 A306 I307 L802	A68-V304 HydrophobicContact CB-CG2 4.44Å; I94-V304 HydrophobicContact CD1-CG2 4.29Å; V300-V304 WeakPolarHBondContact O-CG2 3.12Å; V300-V304 PolarHBondContact O-N 3.41Å; A301-V304 PolarHBondContact O-N 3.44Å; V304-A306 PolarHBondContact O-N 2.7Å; V304-A306 VanDerWaalsContact O-N 3.16Å; V304-I307 PolarHBondContact O-N 2.81Å; V304-L802 HydrophobicContact CG1-CD2 3.71Å; V304-L802 HydrophobicContact CG1-CG 3.96Å
305	A	78.1	Confident	78.5	Confident	0 Å²	0	19 Å²	19	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-58.8	-28.8	178.5	0	0	0	0	0	113.9	A301 N777 E780 I784 L801	A301-A305 WeakPolarHBondContact O-CB 3.01Å; A301-A305 PolarHBondContact O-N 3.06Å; A305-N777 PolarHBondContact O-ND2 2.95Å; A305-E780 HydrophobicContact CB-CB 4.18Å; A305-I784 HydrophobicContact CB-CD1 3.43Å; A305-I784 VanDerWaalsContact CB-CD1 3.43Å; A305-L801 HydrophobicContact CB-CD1 3.68Å
306	A	82	Confident	78.8	Confident	6 Å²	6	19.3 Å²	19.3	5%	0.05	11%	0.111	C	C	.	.	H	α-helix	trans	-84.5	-17.4	-177.2	0	0	0	0	0	113.9	I264 L302 A303 V304 V781	I264-A306 HydrophobicContact CD1-CB 3.42Å; I264-A306 VanDerWaalsContact CD1-CB 3.42Å; I264-A306 HydrophobicContact CG1-CB 3.4Å; L302-A306 WeakPolarHBondContact O-CB 3.38Å; L302-A306 PolarHBondContact O-N 3.24Å; L302-A306 VanDerWaalsContact O-N 3.15Å; A303-A306 PolarHBondContact O-N 2.93Å; V304-A306 PolarHBondContact O-N 2.7Å; V304-A306 VanDerWaalsContact O-N 3.16Å; A306-V781 HydrophobicContact CB-CG2 3.56Å
307	I	80.1	Confident	79.3	Confident	7 Å²	7	17.8 Å²	17.8	4%	0.036	11%	0.109	C	C	.	.	S	Bend	trans	-93.4	122.5	-175.3	-62.9	168.2	0	0	0	109.3	L61 I64 L65 I264 A303 V304 E309 N777	L61-I307 HydrophobicContact CD2-CG1 4.42Å; I64-I307 HydrophobicContact CG2-CD1 4.21Å; L65-I307 HydrophobicContact CD1-CD1 4.01Å; L65-I307 HydrophobicContact CD1-CG2 3.88Å; L65-I307 HydrophobicContact CD2-CD1 4.42Å; L65-I307 HydrophobicContact CG-CD1 3.75Å; I264-I307 HydrophobicContact CD1-CG1 3.83Å; A303-I307 WeakPolarHBondContact O-CG1 3.38Å; A303-I307 PolarHBondContact O-N 2.74Å; V304-I307 PolarHBondContact O-N 2.81Å; I307-E309 VanDerWaalsContact C-N 3.29Å; I307-E309 HydrophobicContact CG2-CG 4.19Å; I307-E309 PolarHBondContact O-N 3.31Å; I307-N777 PolarHBondContact O-ND2 3.49Å
308	P	81.4	Confident	80.1	Confident	12 Å²	12	14.3 Å²	14.3	8%	0.078	9%	0.094	C	C	.	.			trans	-79	78.1	178.3	32.7	-35.7	0	0	0	110.5	F256 L260 G310 L311	F256-P308 HydrophobicContact CE1-CG 4.42Å; L260-P308 HydrophobicContact CD2-CG 4.45Å; P308-G310 VanDerWaalsContact C-N 3.27Å; P308-G310 PolarHBondContact O-N 2.7Å; P308-L311 HydrophobicContact CB-CB 4.08Å; P308-L311 HydrophobicContact CG-CB 4.28Å; P308-L311 HydrophobicContact CG-CD2 4.16Å; P308-L311 WeakPolarHBondContact O-CB 3.28Å; P308-L311 PolarHBondContact O-N 2.77Å
309	E	79	Confident	80.6	Confident	4 Å²	4	14.1 Å²	14.1	2%	0.019	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-30.3	-172.4	-64.7	156.2	154.1	0	0	113.9	L65 I97 I307 L311 P312 L802	L65-E309 HydrophobicContact CD1-CG 4.37Å; L65-E309 WeakPolarHBondContact CD2-OE1 3.29Å; I97-E309 HydrophobicContact CG2-CB 4.42Å; I307-E309 VanDerWaalsContact C-N 3.29Å; I307-E309 HydrophobicContact CG2-CG 4.19Å; I307-E309 PolarHBondContact O-N 3.31Å; E309-L311 PolarHBondContact O-N 3.21Å; E309-P312 WeakPolarHBondContact O-CD 3.43Å; E309-L802 WeakPolarHBondContact OE1-CD2 3.33Å; E309-L802 WeakPolarHBondContact OE2-CD2 3.37Å
310	G	79.4	Confident	81	Confident	2 Å²	2	15.7 Å²	15.7	2%	0.021	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-14.2	175.4	0	0	0	0	0	113.5	P308 A313 V314	P308-G310 VanDerWaalsContact C-N 3.27Å; P308-G310 PolarHBondContact O-N 2.7Å; G310-A313 PolarHBondContact O-N 2.91Å; G310-V314 WeakPolarHBondContact O-CG2 3.22Å; G310-V314 PolarHBondContact O-N 2.86Å
311	L	83.3	Confident	81.5	Confident	12 Å²	12	17.3 Å²	17.3	6%	0.063	11%	0.114	C	C	.	.	H	α-helix	trans	-61.5	-47.3	-170.3	-177.9	65.6	0	0	0	113.8	L253 P308 E309 A313 V314 I315 F769 I770 L773	L253-L311 HydrophobicContact CD2-CD2 4.26Å; P308-L311 HydrophobicContact CB-CB 4.08Å; P308-L311 HydrophobicContact CG-CB 4.28Å; P308-L311 HydrophobicContact CG-CD2 4.16Å; P308-L311 WeakPolarHBondContact O-CB 3.28Å; P308-L311 PolarHBondContact O-N 2.77Å; E309-L311 PolarHBondContact O-N 3.21Å; L311-A313 VanDerWaalsContact C-N 3.27Å; L311-A313 PolarHBondContact O-N 3.04Å; L311-V314 PolarHBondContact O-N 3.22Å; L311-I315 HydrophobicContact CD1-CD1 3.81Å; L311-I315 HydrophobicContact CD1-CG1 3.95Å; L311-I315 HydrophobicContact CD2-CD1 4.31Å; L311-I315 HydrophobicContact CG-CD1 3.7Å; L311-I315 HydrophobicContact CG-CG1 4.25Å; L311-I315 WeakPolarHBondContact O-CB 3.44Å; L311-I315 VanDerWaalsContact O-CG1 3.29Å; L311-I315 WeakPolarHBondContact O-CG1 3.44Å; L311-I315 PolarHBondContact O-N 3.22Å; L311-F769 HydrophobicContact CD1-CD2 4.22Å; L311-F769 HydrophobicContact CD1-CE2 3.88Å; L311-I770 HydrophobicContact CD1-CG1 3.68Å; L311-L773 HydrophobicContact CB-CD1 4.29Å; L311-L773 HydrophobicContact CD1-CD1 3.82Å
312	P	78.6	Confident	82.1	Confident	65 Å²	65	16.6 Å²	16.6	42%	0.422	11%	0.109	S	C	.	.	H	α-helix	trans	-59.6	-38.4	177.6	-23.8	35.3	0	0	0	112.7	E309 T316	E309-P312 WeakPolarHBondContact O-CD 3.43Å; P312-T316 VanDerWaalsContact O-CB 3.28Å; P312-T316 WeakPolarHBondContact O-CB 3.43Å; P312-T316 PolarHBondContact O-N 2.88Å; P312-T316 PolarHBondContact O-OG1 3.07Å
313	A	82	Confident	82.4	Confident	29 Å²	29	17.7 Å²	17.7	24%	0.24	12%	0.115	C	C	.	.	H	α-helix	trans	-66.5	-47.1	178	0	0	0	0	0	111.4	G310 L311 T316 T317	G310-A313 PolarHBondContact O-N 2.91Å; L311-A313 VanDerWaalsContact C-N 3.27Å; L311-A313 PolarHBondContact O-N 3.04Å; A313-T316 WeakPolarHBondContact O-CB 3.44Å; A313-T316 PolarHBondContact O-N 3.42Å; A313-T317 PolarHBondContact O-N 2.8Å; A313-T317 PolarHBondContact O-OG1 2.72Å; A313-T317 VanDerWaalsContact O-OG1 3.12Å
314	V	88.1	Confident	82.7	Confident	4 Å²	4	26.5 Å²	26.5	2%	0.024	15%	0.146	C	C	.	.	H	α-helix	trans	-63.3	-45.4	179	175.5	0	0	0	0	111.4	G310 L311 T316 T317 C318 F769 A813	G310-V314 WeakPolarHBondContact O-CG2 3.22Å; G310-V314 PolarHBondContact O-N 2.86Å; L311-V314 PolarHBondContact O-N 3.22Å; V314-T316 VanDerWaalsContact C-N 3.33Å; V314-T316 PolarHBondContact O-N 3.33Å; V314-T317 PolarHBondContact O-N 3.16Å; V314-C318 WeakPolarHBondContact O-CB 3.42Å; V314-C318 PolarHBondContact O-N 3.09Å; V314-F769 HydrophobicContact CB-CE2 4.42Å; V314-F769 HydrophobicContact CG1-CD1 4.2Å; V314-F769 HydrophobicContact CG1-CD2 3.67Å; V314-F769 HydrophobicContact CG1-CE1 4.13Å; V314-F769 HydrophobicContact CG1-CE2 3.69Å; V314-F769 HydrophobicContact CG1-CG 3.99Å; V314-F769 HydrophobicContact CG1-CZ 3.93Å; V314-A813 HydrophobicContact CG1-CB 3.9Å; V314-A813 HydrophobicContact CG2-CB 4.01Å
315	I	86	Confident	83.3	Confident	13 Å²	13	29.8 Å²	29.8	7%	0.067	16%	0.159	C	C	.	.	H	α-helix	trans	-58.2	-48.9	175.8	-68.7	173	0	0	0	109.7	L249 L253 L311 T317 C318 L319 M766 F769	L249-I315 HydrophobicContact CD2-CG2 4.41Å; L253-I315 HydrophobicContact CD1-CD1 3.78Å; L253-I315 HydrophobicContact CD2-CD1 3.84Å; L253-I315 HydrophobicContact CG-CD1 4.48Å; L311-I315 HydrophobicContact CD1-CD1 3.81Å; L311-I315 HydrophobicContact CD1-CG1 3.95Å; L311-I315 HydrophobicContact CD2-CD1 4.31Å; L311-I315 HydrophobicContact CG-CD1 3.7Å; L311-I315 HydrophobicContact CG-CG1 4.25Å; L311-I315 WeakPolarHBondContact O-CB 3.44Å; L311-I315 VanDerWaalsContact O-CG1 3.29Å; L311-I315 WeakPolarHBondContact O-CG1 3.44Å; L311-I315 PolarHBondContact O-N 3.22Å; I315-T317 PolarHBondContact O-N 2.92Å; I315-C318 PolarHBondContact O-N 3.36Å; I315-L319 HydrophobicContact CG2-CD1 3.69Å; I315-L319 HydrophobicContact CG2-CG 4.17Å; I315-L319 VanDerWaalsContact O-CG 3.31Å; I315-L319 WeakPolarHBondContact O-CG 3.35Å; I315-L319 PolarHBondContact O-N 3.26Å; I315-M766 HydrophobicContact CG2-SD 4.34Å; I315-F769 HydrophobicContact CB-CZ 4.47Å; I315-F769 HydrophobicContact CG1-CE2 3.68Å; I315-F769 HydrophobicContact CG1-CZ 3.77Å
316	T	82.9	Confident	83.8	Confident	24 Å²	24	29.8 Å²	29.8	15%	0.147	16%	0.159	C	C	.	.	H	α-helix	trans	-57.6	-48.7	179.3	-63	0	0	0	0	111.6	I104 Q108 P312 A313 V314 C318 L319 A320	I104-T316 HydrophobicContact CG2-CG2 4.31Å; Q108-T316 PolarHBondContact NE2-OG1 2.92Å; P312-T316 VanDerWaalsContact O-CB 3.28Å; P312-T316 WeakPolarHBondContact O-CB 3.43Å; P312-T316 PolarHBondContact O-N 2.88Å; P312-T316 PolarHBondContact O-OG1 3.07Å; A313-T316 WeakPolarHBondContact O-CB 3.44Å; A313-T316 PolarHBondContact O-N 3.42Å; V314-T316 VanDerWaalsContact C-N 3.33Å; V314-T316 PolarHBondContact O-N 3.33Å; T316-C318 VanDerWaalsContact C-N 3.34Å; T316-C318 PolarHBondContact O-N 2.99Å; T316-L319 PolarHBondContact O-N 3.2Å; T316-A320 VanDerWaalsContact O-CB 3.29Å; T316-A320 WeakPolarHBondContact O-CB 3.2Å; T316-A320 PolarHBondContact O-N 3.45Å
317	T	85.6	Confident	84.1	Confident	61 Å²	61	31.7 Å²	31.7	37%	0.374	17%	0.174	S	C	.	.	H	α-helix	trans	-62.6	-42.9	178.9	-59.9	0	0	0	0	111.1	A313 V314 I315 A320 L321 T814	A313-T317 PolarHBondContact O-N 2.8Å; A313-T317 PolarHBondContact O-OG1 2.72Å; A313-T317 VanDerWaalsContact O-OG1 3.12Å; V314-T317 PolarHBondContact O-N 3.16Å; I315-T317 PolarHBondContact O-N 2.92Å; T317-A320 PolarHBondContact O-N 3.33Å; T317-L321 HydrophobicContact CG2-CD1 3.78Å; T317-L321 HydrophobicContact CG2-CG 4.46Å; T317-L321 WeakPolarHBondContact O-CB 3.31Å; T317-L321 VanDerWaalsContact O-CD1 3.31Å; T317-L321 WeakPolarHBondContact O-CD1 3.31Å; T317-L321 WeakPolarHBondContact O-CG 3.47Å; T317-L321 PolarHBondContact O-N 3.45Å; T317-T814 HydrophobicContact CG2-CG2 3.65Å
318	C	87.4	Confident	84.4	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.1	-47.6	177.3	-171.4	0	0	0	0	112.2	V314 I315 T316 L321 G322 F769	V314-C318 WeakPolarHBondContact O-CB 3.42Å; V314-C318 PolarHBondContact O-N 3.09Å; I315-C318 PolarHBondContact O-N 3.36Å; T316-C318 VanDerWaalsContact C-N 3.34Å; T316-C318 PolarHBondContact O-N 2.99Å; C318-L321 PolarHBondContact O-N 3.45Å; C318-G322 PolarHBondContact O-N 2.92Å; C318-F769 HydrophobicContact CB-CE1 3.87Å; C318-F769 HydrophobicContact CB-CZ 4.3Å
319	L	87.2	Confident	84.7	Confident	9 Å²	9	38 Å²	38	5%	0.047	22%	0.216	C	C	.	.	H	α-helix	trans	-65.3	-39.2	178.3	-66.2	174.6	0	0	0	112.1	I315 T316 G322 T323 L336 V339 I762 M766	I315-L319 HydrophobicContact CG2-CD1 3.69Å; I315-L319 HydrophobicContact CG2-CG 4.17Å; I315-L319 VanDerWaalsContact O-CG 3.31Å; I315-L319 WeakPolarHBondContact O-CG 3.35Å; I315-L319 PolarHBondContact O-N 3.26Å; T316-L319 PolarHBondContact O-N 3.2Å; L319-G322 PolarHBondContact O-N 3.07Å; L319-T323 WeakPolarHBondContact O-CB 3.44Å; L319-T323 PolarHBondContact O-N 3.38Å; L319-T323 PolarHBondContact O-OG1 3.04Å; L319-L336 HydrophobicContact CB-CB 4.15Å; L319-L336 HydrophobicContact CD1-CB 4.43Å; L319-V339 HydrophobicContact CD2-CB 4.11Å; L319-V339 HydrophobicContact CD2-CG1 4.3Å; L319-I762 HydrophobicContact CD2-CG2 4.15Å; L319-M766 HydrophobicContact CD2-CE 4.34Å; L319-M766 HydrophobicContact CD2-SD 3.89Å; L319-M766 HydrophobicContact CG-SD 4.32Å
320	A	84.7	Confident	85.2	Confident	44 Å²	44	41.1 Å²	41.1	36%	0.364	23%	0.233	S	C	.	.	H	α-helix	trans	-64.6	-41.7	176.5	0	0	0	0	0	112	T316 T317 T323 R324 L336	T316-A320 VanDerWaalsContact O-CB 3.29Å; T316-A320 WeakPolarHBondContact O-CB 3.2Å; T316-A320 PolarHBondContact O-N 3.45Å; T317-A320 PolarHBondContact O-N 3.33Å; A320-T323 WeakPolarHBondContact O-CB 3.49Å; A320-T323 PolarHBondContact O-N 3.45Å; A320-R324 PolarHBondContact O-N 3.26Å; A320-L336 HydrophobicContact CB-CD2 4.41Å
321	L	84.1	Confident	85.8	Confident	45 Å²	45	41 Å²	41	24%	0.236	23%	0.232	C	C	.	.	H	α-helix	trans	-66.9	-39.4	174.1	-71.3	161.9	0	0	0	112	T317 C318 R324 R325 F818	T317-L321 HydrophobicContact CG2-CD1 3.78Å; T317-L321 HydrophobicContact CG2-CG 4.46Å; T317-L321 WeakPolarHBondContact O-CB 3.31Å; T317-L321 VanDerWaalsContact O-CD1 3.31Å; T317-L321 WeakPolarHBondContact O-CD1 3.31Å; T317-L321 WeakPolarHBondContact O-CG 3.47Å; T317-L321 PolarHBondContact O-N 3.45Å; C318-L321 PolarHBondContact O-N 3.45Å; L321-R324 PolarHBondContact O-N 2.76Å; L321-R325 PolarHBondContact O-N 3.26Å; L321-F818 HydrophobicContact CD1-CE1 4.04Å; L321-F818 HydrophobicContact CD1-CE2 3.55Å; L321-F818 HydrophobicContact CD1-CZ 3.21Å; L321-F818 HydrophobicContact CD2-CE1 4.23Å; L321-F818 HydrophobicContact CD2-CZ 3.83Å; L321-F818 HydrophobicContact CG-CZ 4.04Å
322	G	84.6	Confident	86.2	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-58.8	-47.2	172.3	0	0	0	0	0	112.4	C318 L319 R324 R325 M326 I762	C318-G322 PolarHBondContact O-N 2.92Å; L319-G322 PolarHBondContact O-N 3.07Å; G322-R324 VanDerWaalsContact C-N 3.29Å; G322-R324 PolarHBondContact O-N 3.21Å; G322-R325 WeakPolarHBondContact O-CB 3.32Å; G322-R325 PolarHBondContact O-N 3.42Å; G322-R325 VanDerWaalsContact O-N 3.08Å; G322-M326 WeakPolarHBondContact O-CG 3.5Å; G322-M326 PolarHBondContact O-N 3.16Å; G322-I762 VanDerWaalsContact CA-CD1 3.44Å
323	T	85.6	Confident	86.6	Confident	23 Å²	23	41.8 Å²	41.8	14%	0.141	23%	0.232	C	C	.	.	H	α-helix	trans	-57.3	-42.5	174.7	-61.2	0	0	0	0	111.4	L319 A320 R325 M326 A327 V333 L336 V339	L319-T323 WeakPolarHBondContact O-CB 3.44Å; L319-T323 PolarHBondContact O-N 3.38Å; L319-T323 PolarHBondContact O-OG1 3.04Å; A320-T323 WeakPolarHBondContact O-CB 3.49Å; A320-T323 PolarHBondContact O-N 3.45Å; T323-R325 PolarHBondContact O-N 2.96Å; T323-M326 PolarHBondContact O-N 3.07Å; T323-A327 WeakPolarHBondContact O-CB 3.36Å; T323-A327 PolarHBondContact O-N 2.89Å; T323-V333 HydrophobicContact CG2-CB 3.94Å; T323-L336 HydrophobicContact CG2-CD2 4.5Å; T323-L336 VanDerWaalsContact OG1-CD2 3.28Å; T323-L336 WeakPolarHBondContact OG1-CD2 3.42Å; T323-V339 WeakPolarHBondContact OG1-CG2 3.2Å
324	R	83.8	Confident	86.7	Confident	196 Å²	196	44.4 Å²	44.4	74%	0.74	24%	0.236	S	C	*	.	H	α-helix	trans	-64.2	-39.2	175.8	-172.8	178.8	173.9	-177	-1.5	112.6	A320 L321 G322 A327 A328	A320-R324 PolarHBondContact O-N 3.26Å; L321-R324 PolarHBondContact O-N 2.76Å; G322-R324 VanDerWaalsContact C-N 3.29Å; G322-R324 PolarHBondContact O-N 3.21Å; R324-A327 PolarHBondContact O-N 2.95Å; R324-A328 PolarHBondContact O-N 3.33Å
325	R	86.4	Confident	86.2	Confident	70 Å²	70	46 Å²	46	26%	0.264	25%	0.247	S	C	.	.	H	α-helix	trans	-66.3	-41.4	174.9	-76.4	-174.1	-81.3	170.6	-14.3	112	L321 G322 T323 A328 K329 E758 G817	L321-R325 PolarHBondContact O-N 3.26Å; G322-R325 WeakPolarHBondContact O-CB 3.32Å; G322-R325 PolarHBondContact O-N 3.42Å; G322-R325 VanDerWaalsContact O-N 3.08Å; T323-R325 PolarHBondContact O-N 2.96Å; R325-A328 PolarHBondContact O-N 2.96Å; R325-K329 PolarHBondContact O-N 3.49Å; R325-E758 WeakPolarHBondContact CD-OE1 3.45Å; R325-E758 IonicContact CZ-OE1 2.76Å; R325-E758 IonicContact NE-OE1 3.63Å; R325-E758 PolarHBondContact NE-OE1 3.19Å; R325-E758 IonicContact NH1-OE1 3.56Å; R325-E758 PolarHBondContact NH1-OE1 3.32Å; R325-G817 PolarHBondContact NH2-O 3.32Å
326	M	88.3	Confident	86	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-41.7	174.8	-72.3	-177.3	176.4	0	0	111.8	G322 T323 A328 K329 N330 A331 V333 V339 L342 M742 A755 E758 I762	G322-M326 WeakPolarHBondContact O-CG 3.5Å; G322-M326 PolarHBondContact O-N 3.16Å; T323-M326 PolarHBondContact O-N 3.07Å; M326-A328 VanDerWaalsContact C-N 3.26Å; M326-A328 PolarHBondContact O-N 3.32Å; M326-K329 CarbonylContact O-C 3.58Å; M326-K329 VanDerWaalsContact O-C 3.26Å; M326-K329 VanDerWaalsContact O-CA 3.3Å; M326-K329 WeakPolarHBondContact O-CA 3.12Å; M326-K329 WeakPolarHBondContact O-CB 3.46Å; M326-K329 PolarHBondContact O-N 3.13Å; M326-N330 PolarHBondContact O-N 3.43Å; M326-A331 CarbonylContact C-O 3.59Å; M326-A331 HydrophobicContact CB-CB 4.16Å; M326-A331 WeakPolarHBondContact CB-O 3.38Å; M326-A331 PolarHBondContact O-N 3.48Å; M326-V333 HydrophobicContact CB-CG2 4.29Å; M326-V333 HydrophobicContact SD-CG2 3.57Å; M326-V333 VanDerWaalsContact SD-CG2 3.57Å; M326-V339 HydrophobicContact CE-CB 4.28Å; M326-V339 HydrophobicContact CE-CG1 3.57Å; M326-V339 HydrophobicContact SD-CB 4.44Å; M326-V339 HydrophobicContact SD-CG1 4.07Å; M326-V339 HydrophobicContact SD-CG2 4.13Å; M326-L342 HydrophobicContact CE-CD2 4.42Å; M326-M742 HydrophobicContact SD-CE 4.31Å; M326-A755 WeakPolarHBondContact CE-O 3.45Å; M326-A755 HydrophobicContact SD-CB 4.46Å; M326-E758 HydrophobicContact CE-CB 3.81Å; M326-E758 HydrophobicContact CE-CG 4.05Å; M326-E758 HydrophobicContact CG-CB 4.23Å; M326-E758 HydrophobicContact CG-CG 4.01Å; M326-I762 HydrophobicContact CE-CD1 4.32Å
327	A	87.2	Confident	85.9	Confident	45 Å²	45	47.3 Å²	47.3	37%	0.372	25%	0.254	S	S	.	.	H	α-helix	trans	-60.8	-36.5	176.8	0	0	0	0	0	112.1	T323 R324 K329 N330 A331	T323-A327 WeakPolarHBondContact O-CB 3.36Å; T323-A327 PolarHBondContact O-N 2.89Å; R324-A327 PolarHBondContact O-N 2.95Å; A327-K329 PolarHBondContact O-N 2.92Å; A327-N330 PolarHBondContact O-N 3.39Å; A327-N330 VanDerWaalsContact O-N 3.09Å; A327-A331 WeakPolarHBondContact CA-O 3.39Å; A327-A331 PolarHBondContact N-O 3.31Å; A327-A331 VanDerWaalsContact N-O 3.11Å
328	A	87.2	Confident	86	Confident	85 Å²	85	44.6 Å²	44.6	70%	0.702	24%	0.238	S	C	*	.	H	α-helix	trans	-66.5	-19	173.1	0	0	0	0	0	113.5	R324 R325 M326	R324-A328 PolarHBondContact O-N 3.33Å; R325-A328 PolarHBondContact O-N 2.96Å; M326-A328 VanDerWaalsContact C-N 3.26Å; M326-A328 PolarHBondContact O-N 3.32Å
329	K	86.8	Confident	85.9	Confident	67 Å²	67	44.6 Å²	44.6	29%	0.291	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	25.4	172.5	-61.3	176.9	175.3	175.7	0	112	R325 M326 A327 A331 L754 E758	R325-K329 PolarHBondContact O-N 3.49Å; M326-K329 CarbonylContact O-C 3.58Å; M326-K329 VanDerWaalsContact O-C 3.26Å; M326-K329 VanDerWaalsContact O-CA 3.3Å; M326-K329 WeakPolarHBondContact O-CA 3.12Å; M326-K329 WeakPolarHBondContact O-CB 3.46Å; M326-K329 PolarHBondContact O-N 3.13Å; A327-K329 PolarHBondContact O-N 2.92Å; K329-A331 PolarHBondContact O-N 3.08Å; K329-L754 HydrophobicContact CD-CB 4.25Å; K329-E758 IonicContact NZ-OE2 2.76Å; K329-E758 PolarHBondContact NZ-OE2 3.32Å
330	N	90.1	Very high	85.9	Confident	69 Å²	69	44.1 Å²	44.1	37%	0.369	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	14.7	179.8	-54.1	-40	0	0	0	115.8	M326 A327 L744 A745 D746	M326-N330 PolarHBondContact O-N 3.43Å; A327-N330 PolarHBondContact O-N 3.39Å; A327-N330 VanDerWaalsContact O-N 3.09Å; N330-L744 CarbonylContact O-C 3.54Å; N330-L744 WeakPolarHBondContact O-CA 3.47Å; N330-A745 HydrophobicContact CB-CB 4.22Å; N330-A745 PolarHBondContact O-N 2.82Å; N330-D746 HydrophobicContact CB-CB 3.91Å; N330-D746 VanDerWaalsContact CB-CG 3.41Å; N330-D746 WeakPolarHBondContact CB-OD2 3.43Å; N330-D746 PolarHBondContact ND2-OD2 3.23Å
331	A	92	Very high	86.1	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	99.6	174.8	0	0	0	0	0	110	M326 A327 K329 V333 M742 A755	M326-A331 CarbonylContact C-O 3.59Å; M326-A331 HydrophobicContact CB-CB 4.16Å; M326-A331 WeakPolarHBondContact CB-O 3.38Å; M326-A331 PolarHBondContact O-N 3.48Å; A327-A331 WeakPolarHBondContact CA-O 3.39Å; A327-A331 PolarHBondContact N-O 3.31Å; A327-A331 VanDerWaalsContact N-O 3.11Å; K329-A331 PolarHBondContact O-N 3.08Å; A331-V333 PolarHBondContact O-N 2.86Å; A331-M742 HydrophobicContact CB-CE 4.46Å; A331-M742 HydrophobicContact CB-CG 4.44Å; A331-M742 HydrophobicContact CB-SD 3.91Å; A331-A755 HydrophobicContact CB-CB 4.02Å
332	I	91.4	Very high	86.4	Confident	79 Å²	79	40 Å²	40	41%	0.405	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	107.4	-179.2	-57.2	174.8	0	0	0	108.7	M742 V743 A745	I332-M742 CarbonylContact O-C 3.54Å; I332-M742 WeakPolarHBondContact O-CA 3.25Å; I332-V743 HydrophobicContact CB-CB 4.35Å; I332-V743 PolarHBondContact N-O 3.29Å; I332-V743 PolarHBondContact O-N 3.19Å; I332-A745 HydrophobicContact CD1-CB 3.95Å; I332-A745 HydrophobicContact CG1-CB 4.3Å
333	V	87.8	Confident	86.5	Confident	14 Å²	14	40.1 Å²	40.1	9%	0.085	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	127.5	177.3	-174.1	0	0	0	0	110.2	T323 M326 A331 S335 V339 M742	T323-V333 HydrophobicContact CG2-CB 3.94Å; M326-V333 HydrophobicContact CB-CG2 4.29Å; M326-V333 HydrophobicContact SD-CG2 3.57Å; M326-V333 VanDerWaalsContact SD-CG2 3.57Å; A331-V333 PolarHBondContact O-N 2.86Å; V333-S335 WeakPolarHBondContact CG1-O 3.17Å; V333-V339 HydrophobicContact CB-CG2 4.22Å; V333-V339 HydrophobicContact CG1-CG2 3.82Å; V333-V339 HydrophobicContact CG2-CG2 4.14Å; V333-M742 HydrophobicContact CG2-CE 3.72Å; V333-M742 HydrophobicContact CG2-CG 4.41Å
334	R	83.3	Confident	86.8	Confident	85 Å²	85	39.2 Å²	39.2	32%	0.321	20%	0.203	S	C	.	.	S	Bend	trans	-93.2	-30.4	179.7	-62.9	-175.8	65	-128.7	3.5	112.2	S114 K737 S738 A740 D741 V743	S114-R334 PolarHBondContact OG-NH2 2.91Å; R334-K737 WeakPolarHBondContact CD-O 3.48Å; R334-K737 PolarHBondContact NH1-O 3.16Å; R334-S738 PolarHBondContact NH1-O 2.99Å; R334-A740 PolarHBondContact NH1-O 3.18Å; R334-D741 PolarHBondContact N-O 3.17Å; R334-V743 HydrophobicContact CG-CG2 4.5Å
335	S	78.1	Confident	87.3	Confident	38 Å²	38	29.9 Å²	29.9	27%	0.266	17%	0.168	S	C	.	.	S	Bend	trans	-115.6	114.1	179.2	167.6	0	0	0	0	110.6	V333 S338	V333-S335 WeakPolarHBondContact CG1-O 3.17Å; S335-S338 VanDerWaalsContact CB-OG 3.3Å; S335-S338 WeakPolarHBondContact CB-OG 3.36Å; S335-S338 VanDerWaalsContact O-CB 3.23Å; S335-S338 WeakPolarHBondContact O-CB 3.48Å; S335-S338 PolarHBondContact O-N 2.99Å; S335-S338 PolarHBondContact O-OG 3.25Å; S335-S338 PolarHBondContact OG-OG 2.79Å; S335-S338 VanDerWaalsContact OG-OG 3.11Å
336	L	81	Confident	87.7	Confident	39 Å²	39	27.3 Å²	27.3	20%	0.204	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-43.7	-175.7	-67.3	179.5	0	0	0	113.8	Q108 L319 A320 T323 S338 V339	Q108-L336 HydrophobicContact CG-CD1 4.48Å; L319-L336 HydrophobicContact CB-CB 4.15Å; L319-L336 HydrophobicContact CD1-CB 4.43Å; A320-L336 HydrophobicContact CB-CD2 4.41Å; T323-L336 HydrophobicContact CG2-CD2 4.5Å; T323-L336 VanDerWaalsContact OG1-CD2 3.28Å; T323-L336 WeakPolarHBondContact OG1-CD2 3.42Å; L336-S338 PolarHBondContact O-N 3.2Å; L336-V339 WeakPolarHBondContact O-CB 3.43Å; L336-V339 VanDerWaalsContact O-CG2 3.31Å; L336-V339 WeakPolarHBondContact O-CG2 3.37Å; L336-V339 PolarHBondContact O-N 3.17Å
337	P	82	Confident	88.1	Confident	25 Å²	25	27.3 Å²	27.3	16%	0.162	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-28.2	177.4	-27	37.8	0	0	0	114	T247 V339 E340 T341	T247-P337 HydrophobicContact CG2-CB 3.62Å; P337-V339 PolarHBondContact O-N 3.45Å; P337-E340 PolarHBondContact O-N 3.31Å; P337-T341 PolarHBondContact O-N 3.45Å; P337-T341 PolarHBondContact O-OG1 2.98Å
338	S	86.6	Confident	88.5	Confident	3 Å²	3	25.1 Å²	25.1	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-65	-22.8	-176.8	-53.1	0	0	0	0	113.1	S335 L336 E340 T341 L342 D741	S335-S338 VanDerWaalsContact CB-OG 3.3Å; S335-S338 WeakPolarHBondContact CB-OG 3.36Å; S335-S338 VanDerWaalsContact O-CB 3.23Å; S335-S338 WeakPolarHBondContact O-CB 3.48Å; S335-S338 PolarHBondContact O-N 2.99Å; S335-S338 PolarHBondContact O-OG 3.25Å; S335-S338 PolarHBondContact OG-OG 2.79Å; S335-S338 VanDerWaalsContact OG-OG 3.11Å; L336-S338 PolarHBondContact O-N 3.2Å; S338-E340 PolarHBondContact O-N 2.82Å; S338-T341 PolarHBondContact O-N 3.39Å; S338-L342 WeakPolarHBondContact O-CB 3.1Å; S338-L342 PolarHBondContact O-N 3.22Å; S338-D741 WeakPolarHBondContact OG-CB 3.44Å
339	V	86.9	Confident	88.9	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-54.7	-41.1	172.2	175.3	0	0	0	0	111.4	L319 T323 M326 V333 L336 P337 G759 I762	L319-V339 HydrophobicContact CD2-CB 4.11Å; L319-V339 HydrophobicContact CD2-CG1 4.3Å; T323-V339 WeakPolarHBondContact OG1-CG2 3.2Å; M326-V339 HydrophobicContact CE-CB 4.28Å; M326-V339 HydrophobicContact CE-CG1 3.57Å; M326-V339 HydrophobicContact SD-CB 4.44Å; M326-V339 HydrophobicContact SD-CG1 4.07Å; M326-V339 HydrophobicContact SD-CG2 4.13Å; V333-V339 HydrophobicContact CB-CG2 4.22Å; V333-V339 HydrophobicContact CG1-CG2 3.82Å; V333-V339 HydrophobicContact CG2-CG2 4.14Å; L336-V339 WeakPolarHBondContact O-CB 3.43Å; L336-V339 VanDerWaalsContact O-CG2 3.31Å; L336-V339 WeakPolarHBondContact O-CG2 3.37Å; L336-V339 PolarHBondContact O-N 3.17Å; P337-V339 PolarHBondContact O-N 3.45Å; V339-G759 WeakPolarHBondContact O-CA 3.39Å; V339-I762 HydrophobicContact CG1-CB 4.42Å; V339-I762 HydrophobicContact CG1-CD1 3.23Å; V339-I762 HydrophobicContact CG1-CG1 4.4Å; V339-I762 HydrophobicContact CG1-CG2 4.19Å
340	E	86.2	Confident	89.3	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-75.5	-46.8	178.4	-178.4	-87.3	164.8	0	0	111.9	L249 P337 S338 L342 G343 C344 Y763 M766 R831	L249-E340 HydrophobicContact CB-CB 4.48Å; L249-E340 HydrophobicContact CB-CG 4Å; L249-E340 HydrophobicContact CD2-CB 4.29Å; L249-E340 HydrophobicContact CD2-CG 4.23Å; L249-E340 PolarHBondContact N-OE2 3.19Å; P337-E340 PolarHBondContact O-N 3.31Å; S338-E340 PolarHBondContact O-N 2.82Å; E340-L342 PolarHBondContact O-N 3.18Å; E340-L342 VanDerWaalsContact O-N 3.11Å; E340-G343 WeakPolarHBondContact O-CA 3.37Å; E340-G343 PolarHBondContact O-N 2.91Å; E340-C344 PolarHBondContact OE1-SG 3.29Å; E340-Y763 HydrophobicContact CG-CD2 3.79Å; E340-Y763 VanDerWaalsContact OE1-CD2 3.27Å; E340-Y763 WeakPolarHBondContact OE1-CD2 3.46Å; E340-M766 HydrophobicContact CB-CE 3.75Å; E340-M766 HydrophobicContact CG-CE 3.5Å; E340-M766 VanDerWaalsContact CG-CE 3.5Å; E340-R831 IonicContact OE1-NH2 3.41Å; E340-R831 PolarHBondContact OE1-NH2 3.47Å
341	T	88.4	Confident	89.2	Confident	1 Å²	1	14.8 Å²	14.8	1%	0.006	8%	0.079	C	C	.	.	H	α-helix	trans	-57.5	-33.7	-176.1	-52.4	0	0	0	0	110	T247 P248 P337 S338 G343 C344 T345 V706 E724 I725	T247-T341 WeakPolarHBondContact CB-OG1 3.41Å; P248-T341 HydrophobicContact CG-CG2 4.26Å; P337-T341 PolarHBondContact O-N 3.45Å; P337-T341 PolarHBondContact O-OG1 2.98Å; S338-T341 PolarHBondContact O-N 3.39Å; T341-G343 PolarHBondContact O-N 3.07Å; T341-C344 WeakPolarHBondContact O-CA 3.38Å; T341-C344 WeakPolarHBondContact O-CB 3.28Å; T341-C344 PolarHBondContact O-N 3.42Å; T341-T345 PolarHBondContact O-N 3.26Å; T341-V706 HydrophobicContact CG2-CG1 3.97Å; T341-E724 HydrophobicContact CG2-CB 3.85Å; T341-I725 VanDerWaalsContact C-CD1 3.42Å; T341-I725 HydrophobicContact CG2-CD1 3.94Å; T341-I725 HydrophobicContact CG2-CG1 3.77Å
342	L	90	Very high	88.9	Confident	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.8	-29.4	177.3	-152.3	105.6	0	0	0	113.7	M326 S338 E340 C344 T345 I725 I727 M742 A755 V756	M326-L342 HydrophobicContact CE-CD2 4.42Å; S338-L342 WeakPolarHBondContact O-CB 3.1Å; S338-L342 PolarHBondContact O-N 3.22Å; E340-L342 PolarHBondContact O-N 3.18Å; E340-L342 VanDerWaalsContact O-N 3.11Å; L342-C344 VanDerWaalsContact C-N 3.27Å; L342-C344 PolarHBondContact O-N 3.42Å; L342-T345 WeakPolarHBondContact CA-OG1 3.35Å; L342-T345 WeakPolarHBondContact O-CB 3.38Å; L342-T345 PolarHBondContact O-N 3.38Å; L342-T345 PolarHBondContact O-OG1 2.9Å; L342-I725 HydrophobicContact CB-CD1 3.59Å; L342-I725 HydrophobicContact CD1-CB 4.43Å; L342-I725 HydrophobicContact CD1-CD1 3.52Å; L342-I725 HydrophobicContact CD1-CG2 3.54Å; L342-I725 HydrophobicContact CG-CD1 3.86Å; L342-I727 HydrophobicContact CD1-CD1 4.34Å; L342-M742 HydrophobicContact CD1-CE 3.4Å; L342-M742 HydrophobicContact CD1-SD 4.17Å; L342-M742 HydrophobicContact CD2-CE 3.7Å; L342-M742 HydrophobicContact CG-CE 4.14Å; L342-A755 HydrophobicContact CD2-CB 3.29Å; L342-A755 VanDerWaalsContact CD2-O 3.26Å; L342-A755 WeakPolarHBondContact CD2-O 3.33Å; L342-V756 HydrophobicContact CD2-CB 4.45Å; L342-V756 HydrophobicContact CD2-CG2 4Å; L342-V756 HydrophobicContact CG-CG2 4.08Å
343	G	88.3	Confident	88.3	Confident	4 Å²	4	11.2 Å²	11.2	4%	0.041	6%	0.061	C	C	.	.	H	α-helix	trans	-68.8	-25.5	172.1	0	0	0	0	0	113.7	E340 T341 R760	E340-G343 WeakPolarHBondContact O-CA 3.37Å; E340-G343 PolarHBondContact O-N 2.91Å; T341-G343 PolarHBondContact O-N 3.07Å; G343-R760 VanDerWaalsContact O-CG 3.22Å; G343-R760 WeakPolarHBondContact O-CG 3.3Å; G343-R760 PolarHBondContact O-NE 3.13Å
344	C	90.9	Very high	87.9	Confident	3 Å²	3	10.7 Å²	10.7	2%	0.02	6%	0.058	C	C	.	.	H	α-helix	trans	-91	-5.5	179.1	-60.5	0	0	0	0	113.4	E340 T341 L342 S346 V706 R831	E340-C344 PolarHBondContact OE1-SG 3.29Å; T341-C344 WeakPolarHBondContact O-CA 3.38Å; T341-C344 WeakPolarHBondContact O-CB 3.28Å; T341-C344 PolarHBondContact O-N 3.42Å; L342-C344 VanDerWaalsContact C-N 3.27Å; L342-C344 PolarHBondContact O-N 3.42Å; C344-S346 PolarHBondContact O-N 3.36Å; C344-S346 VanDerWaalsContact O-N 3.17Å; C344-V706 HydrophobicContact CB-CG1 4.44Å; C344-V706 HydrophobicContact CB-CG2 3.99Å; C344-V706 WeakPolarHBondContact O-CB 3.28Å; C344-R831 PolarHBondContact SG-NE 3.01Å
345	T	94.4	Very high	87.7	Confident	1 Å²	1	6.7 Å²	6.7	1%	0.006	4%	0.043	C	C	.	.			trans	-49.2	120.8	179.9	-53.1	0	0	0	0	111.5	T341 L342 I348 I628 A708 P830	T341-T345 PolarHBondContact O-N 3.26Å; L342-T345 WeakPolarHBondContact CA-OG1 3.35Å; L342-T345 WeakPolarHBondContact O-CB 3.38Å; L342-T345 PolarHBondContact O-N 3.38Å; L342-T345 PolarHBondContact O-OG1 2.9Å; T345-I348 HydrophobicContact CG2-CG1 3.77Å; T345-I628 HydrophobicContact CG2-CG2 4.5Å; T345-I628 WeakPolarHBondContact O-CG1 3.3Å; T345-A708 HydrophobicContact CG2-CB 3.7Å; T345-P830 WeakPolarHBondContact O-CG 3.37Å
346	S	94.8	Very high	88.1	Confident	15 Å²	15	4.9 Å²	4.9	11%	0.105	3%	0.03	C	C	.	.			trans	-109	-27.5	177.1	62.4	0	0	0	0	112.9	C344 I628 R629 E705 V706	C344-S346 PolarHBondContact O-N 3.36Å; C344-S346 VanDerWaalsContact O-N 3.17Å; S346-I628 WeakPolarHBondContact O-CA 3.23Å; S346-R629 PolarHBondContact O-N 3.48Å; S346-E705 WeakPolarHBondContact CB-OE2 3.39Å; S346-E705 PolarHBondContact OG-OE2 3.08Å; S346-V706 PolarHBondContact N-O 3.17Å; S346-V706 PolarHBondContact OG-N 3.13Å; S346-V706 PolarHBondContact OG-O 3.11Å
347	V	96.4	Very high	88.3	Confident	0 Å²	0	3 Å²	3	0%	0	2%	0.021	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129.6	177	-173.2	0	0	0	0	110.3	R629 I631 L700 E705 V706 S707 A708	V347-R629 CarbonylContact C-O 3.59Å; V347-R629 VanDerWaalsContact CA-O 3.32Å; V347-R629 WeakPolarHBondContact CA-O 3.28Å; V347-R629 HydrophobicContact CG2-CB 4.36Å; V347-I631 HydrophobicContact CG1-CD1 3.61Å; V347-I631 HydrophobicContact CG1-CG1 3.91Å; V347-L700 HydrophobicContact CB-CD1 4.4Å; V347-L700 HydrophobicContact CG1-CD1 3.9Å; V347-L700 HydrophobicContact CG2-CD2 4.4Å; V347-E705 HydrophobicContact CG2-CB 4.06Å; V347-E705 HydrophobicContact CG2-CG 4.15Å; V347-V706 PolarHBondContact N-O 3.31Å; V347-S707 WeakPolarHBondContact O-CA 3.17Å; V347-A708 PolarHBondContact O-N 3.1Å
348	I	96.6	Very high	88.3	Confident	0 Å²	0	2.5 Å²	2.5	0%	0	2%	0.017	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	107.3	170	-60.8	171.7	0	0	0	108	T345 I628 R629 V630 I631 A708 T710 F749 I752	T345-I348 HydrophobicContact CG2-CG1 3.77Å; I348-I628 HydrophobicContact CD1-CG2 3.82Å; I348-I628 HydrophobicContact CG1-CG2 3.8Å; I348-R629 PolarHBondContact N-O 3.42Å; I348-V630 CarbonylContact O-C 3.5Å; I348-V630 WeakPolarHBondContact O-CA 3.33Å; I348-I631 PolarHBondContact O-N 3.27Å; I348-A708 CarbonylContact C-O 3.58Å; I348-A708 WeakPolarHBondContact CA-O 3.46Å; I348-A708 HydrophobicContact CG1-CB 4.27Å; I348-T710 HydrophobicContact CG2-CG2 4.21Å; I348-F749 HydrophobicContact CD1-CZ 4.4Å; I348-F749 HydrophobicContact CG2-CE2 4.02Å; I348-F749 HydrophobicContact CG2-CZ 4.11Å; I348-I752 HydrophobicContact CD1-CG2 4.03Å
349	C	96	Very high	88	Confident	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	119	167.3	-67.5	0	0	0	0	108.3	I631 I633 L700 A708 M709 T710	C349-I631 CarbonylContact C-O 3.55Å; C349-I631 WeakPolarHBondContact CA-O 3.45Å; C349-I633 HydrophobicContact CB-CD1 3.73Å; C349-L700 VanDerWaalsContact SG-CD1 3.58Å; C349-A708 PolarHBondContact N-O 2.93Å; C349-M709 HydrophobicContact CB-SD 3.47Å; C349-M709 WeakPolarHBondContact CB-SD 3.48Å; C349-M709 CarbonylContact O-C 3.6Å; C349-M709 VanDerWaalsContact O-CA 3.29Å; C349-M709 WeakPolarHBondContact O-CA 3.42Å; C349-T710 PolarHBondContact O-N 2.88Å
350	S	93.2	Very high	88	Confident	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	130.7	-173.4	-168.2	0	0	0	0	112.4	T355 I631 M632 I633 T710	S350-T355 WeakPolarHBondContact OG-CG2 3.47Å; S350-I631 PolarHBondContact N-O 3Å; S350-M632 WeakPolarHBondContact O-CA 3.43Å; S350-I633 PolarHBondContact O-N 2.7Å; S350-T710 WeakPolarHBondContact CA-OG1 3.18Å; S350-T710 WeakPolarHBondContact CB-OG1 3.4Å; S350-T710 PolarHBondContact OG-OG1 3.31Å
351	D	88.6	Confident	88.1	Confident	4 Å²	4	8.1 Å²	8.1	2%	0.021	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	149.3	167.1	-164.5	74.5	0	0	0	111.1	T353 T355 L356 I633 K693 T710	D351-T353 PolarHBondContact OD2-N 3.31Å; D351-T355 WeakPolarHBondContact O-CB 3.23Å; D351-L356 WeakPolarHBondContact O-CG 3.45Å; D351-I633 VanDerWaalsContact CA-O 3.32Å; D351-I633 WeakPolarHBondContact CA-O 3.44Å; D351-K693 IonicContact OD1-NZ 3.64Å; D351-K693 PolarHBondContact OD1-NZ 3.1Å; D351-T710 PolarHBondContact N-O 2.71Å; D351-T710 PolarHBondContact N-OG1 2.96Å
352	K	86.5	Confident	88.3	Confident	3 Å²	3	8.2 Å²	8.2	1%	0.013	5%	0.046	C	C	.	.	I	π-helix	trans	-79.7	-55	177.6	-177	-129.6	56.7	163.3	0	111.3	G354 L356 T357 D610 M632 I633 D636 I644	K352-G354 PolarHBondContact O-N 3.03Å; K352-L356 PolarHBondContact O-N 2.96Å; K352-L356 VanDerWaalsContact O-N 3.13Å; K352-T357 HydrophobicContact CD-CG2 4.12Å; K352-T357 HydrophobicContact CG-CG2 3.9Å; K352-T357 PolarHBondContact O-N 3.47Å; K352-T357 PolarHBondContact O-OG1 2.73Å; K352-D610 IonicContact NZ-OD2 2.71Å; K352-M632 HydrophobicContact CB-CG 4.18Å; K352-M632 HydrophobicContact CB-SD 4.06Å; K352-M632 HydrophobicContact CG-CE 4.31Å; K352-M632 HydrophobicContact CG-SD 4.03Å; K352-I633 PolarHBondContact N-O 3.17Å; K352-D636 WeakPolarHBondContact CE-OD2 3.48Å; K352-D636 IonicContact NZ-OD2 2.75Å; K352-D636 PolarHBondContact NZ-OD2 3.4Å; K352-I644 HydrophobicContact CD-CD1 3.56Å; K352-I644 HydrophobicContact CG-CD1 4.19Å
353	T	79.1	Confident	88.5	Confident	1 Å²	1	8.3 Å²	8.3	1%	0.006	5%	0.046	C	C	.	.	I	π-helix	trans	-73.9	127.5	-167.5	-58.8	0	0	0	0	109.1	E183 D351 T355 T357 N359	E183-T353 PolarHBondContact OE1-OG1 3.41Å; D351-T353 PolarHBondContact OD2-N 3.31Å; T353-T355 PolarHBondContact O-N 3.47Å; T353-T357 WeakPolarHBondContact CA-OG1 3.21Å; T353-N359 HydrophobicContact CG2-CB 4.13Å; T353-N359 WeakPolarHBondContact CG2-OD1 3.21Å
354	G	78.1	Confident	88.7	Confident	3 Å²	3	9.3 Å²	9.3	3%	0.031	5%	0.052	C	C	.	.	I	π-helix	trans	76.8	-23.8	178.4	0	0	0	0	0	115	K352 T357 R613	K352-G354 PolarHBondContact O-N 3.03Å; G354-T357 CarbonylContact C-O 3.52Å; G354-T357 PolarHBondContact N-OG1 3.22Å; G354-R613 PolarHBondContact O-NH2 3.08Å
355	T	79.8	Confident	88.9	Confident	0 Å²	0	12 Å²	12	0%	0	6%	0.062	C	C	.	.	I	π-helix	trans	-95.1	-71.6	176.9	-48.7	0	0	0	0	112.2	S350 D351 T353 T357 R613 T710 M729	S350-T355 WeakPolarHBondContact OG-CG2 3.47Å; D351-T355 WeakPolarHBondContact O-CB 3.23Å; T353-T355 PolarHBondContact O-N 3.47Å; T355-T357 VanDerWaalsContact C-N 3.35Å; T355-R613 WeakPolarHBondContact O-CD 3.43Å; T355-R613 PolarHBondContact O-NE 3.31Å; T355-R613 VanDerWaalsContact O-NE 3.1Å; T355-T710 VanDerWaalsContact CG2-OG1 3.31Å; T355-T710 WeakPolarHBondContact CG2-OG1 3.49Å; T355-M729 HydrophobicContact CG2-CE 4.17Å; T355-M729 HydrophobicContact CG2-SD 3.57Å; T355-M729 VanDerWaalsContact CG2-SD 3.57Å; T355-M729 WeakPolarHBondContact OG1-CG 3.4Å; T355-M729 PolarHBondContact OG1-SD 2.93Å; T355-M729 VanDerWaalsContact OG1-SD 3.4Å
356	L	86.2	Confident	89	Confident	0 Å²	0	12 Å²	12	0%	0	6%	0.062	C	C	.	.	I	π-helix	trans	-76.7	-26.4	178.3	-62.2	172.9	0	0	0	112.1	D351 K352 P612 R613 V616 M632 I648 F749	D351-L356 WeakPolarHBondContact O-CG 3.45Å; K352-L356 PolarHBondContact O-N 2.96Å; K352-L356 VanDerWaalsContact O-N 3.13Å; L356-P612 WeakPolarHBondContact O-CA 3.22Å; L356-R613 PolarHBondContact O-N 2.99Å; L356-V616 HydrophobicContact CD2-CG1 3.72Å; L356-V616 HydrophobicContact CD2-CG2 4.46Å; L356-M632 HydrophobicContact CD1-CB 4.4Å; L356-M632 HydrophobicContact CD1-CE 3.49Å; L356-M632 VanDerWaalsContact CD1-CE 3.49Å; L356-M632 HydrophobicContact CD1-CG 4.06Å; L356-I648 HydrophobicContact CB-CD1 4.49Å; L356-I648 HydrophobicContact CD1-CD1 3.9Å; L356-I648 HydrophobicContact CD2-CD1 4.42Å; L356-F749 HydrophobicContact CD2-CD2 3.64Å; L356-F749 HydrophobicContact CD2-CE2 3.9Å; L356-F749 HydrophobicContact CD2-CG 4.19Å
357	T	85.6	Confident	89	Confident	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.057	C	C	.	.	B	Isolated β-bridge	trans	-107.7	168.4	176	65.2	0	0	0	0	111.9	K352 T353 G354 T355 N359 D610 P611 R613	K352-T357 HydrophobicContact CD-CG2 4.12Å; K352-T357 HydrophobicContact CG-CG2 3.9Å; K352-T357 PolarHBondContact O-N 3.47Å; K352-T357 PolarHBondContact O-OG1 2.73Å; T353-T357 WeakPolarHBondContact CA-OG1 3.21Å; G354-T357 CarbonylContact C-O 3.52Å; G354-T357 PolarHBondContact N-OG1 3.22Å; T355-T357 VanDerWaalsContact C-N 3.35Å; T357-N359 VanDerWaalsContact C-N 3.28Å; T357-N359 PolarHBondContact O-N 2.9Å; T357-D610 VanDerWaalsContact CB-CG 3.44Å; T357-D610 WeakPolarHBondContact CB-OD1 3.11Å; T357-D610 WeakPolarHBondContact CB-OD2 3.1Å; T357-D610 WeakPolarHBondContact CG2-O 3.29Å; T357-D610 VanDerWaalsContact OG1-CG 3.24Å; T357-D610 PolarHBondContact OG1-OD1 3.44Å; T357-D610 PolarHBondContact OG1-OD2 3.5Å; T357-P611 VanDerWaalsContact CA-O 3.31Å; T357-P611 WeakPolarHBondContact CA-O 3.11Å; T357-P611 WeakPolarHBondContact CB-O 3.43Å; T357-R613 PolarHBondContact O-NE 2.87Å
358	T	82.2	Confident	89	Confident	14 Å²	14	11.9 Å²	11.9	9%	0.086	6%	0.06	C	C	.	.			trans	-77.3	-13.1	179.1	60.2	0	0	0	0	113.2	Q360 S387 P611 R613	T358-Q360 WeakPolarHBondContact O-CG 3.46Å; T358-Q360 PolarHBondContact O-N 3.41Å; T358-Q360 PolarHBondContact OG1-N 3.4Å; T358-S387 PolarHBondContact OG1-O 3.49Å; T358-S387 VanDerWaalsContact OG1-O 3.04Å; T358-P611 PolarHBondContact N-O 2.78Å; T358-R613 HydrophobicContact CG2-CG 4.06Å
359	N	80	Confident	88.8	Confident	50 Å²	50	12 Å²	12	27%	0.267	6%	0.061	S	C	.	.	S	Bend	trans	54.7	29.3	-166.6	-164.7	10.7	0	0	0	111.9	S184 T353 T357 D610	S184-N359 VanDerWaalsContact OG-CG 3.31Å; S184-N359 PolarHBondContact OG-ND2 3.15Å; S184-N359 PolarHBondContact OG-OD1 2.91Å; T353-N359 HydrophobicContact CG2-CB 4.13Å; T353-N359 WeakPolarHBondContact CG2-OD1 3.21Å; T357-N359 VanDerWaalsContact C-N 3.28Å; T357-N359 PolarHBondContact O-N 2.9Å; N359-D610 WeakPolarHBondContact CA-OD1 3.32Å; N359-D610 PolarHBondContact N-OD1 3.17Å
360	Q	86.1	Confident	88.4	Confident	46 Å²	46	13.9 Å²	13.9	22%	0.215	7%	0.074	C	C	.	.			trans	-125.9	95.8	-179.2	-62.7	-170.2	8.6	0	0	109.6	T358 S362 Y389 D610 P611	T358-Q360 WeakPolarHBondContact O-CG 3.46Å; T358-Q360 PolarHBondContact O-N 3.41Å; T358-Q360 PolarHBondContact OG1-N 3.4Å; Q360-S362 PolarHBondContact O-N 3.35Å; Q360-S362 VanDerWaalsContact O-N 3.13Å; Q360-S362 PolarHBondContact O-OG 3.09Å; Q360-Y389 HydrophobicContact CB-CD2 4.03Å; Q360-Y389 HydrophobicContact CB-CE1 4.44Å; Q360-Y389 HydrophobicContact CB-CE2 3.84Å; Q360-Y389 HydrophobicContact CB-CG 4.4Å; Q360-Y389 HydrophobicContact CG-CD2 3.78Å; Q360-Y389 HydrophobicContact CG-CE2 3.69Å; Q360-D610 PolarHBondContact N-OD1 2.8Å; Q360-P611 VanDerWaalsContact O-CD 3.24Å; Q360-P611 WeakPolarHBondContact O-CD 3.34Å
361	M	89.2	Confident	88	Confident	25 Å²	25	19.5 Å²	19.5	12%	0.123	10%	0.098	C	C	.	.			trans	-53.4	121.4	179	-169.4	66.3	56.8	0	0	109.8	Y389 A440 A444 M608 L609	M361-Y389 PolarHBondContact N-OH 3.32Å; M361-Y389 VanDerWaalsContact O-CE1 3.23Å; M361-Y389 WeakPolarHBondContact O-CE1 3.43Å; M361-A440 HydrophobicContact CB-CB 4.01Å; M361-A444 HydrophobicContact CB-CB 4.2Å; M361-A444 HydrophobicContact CG-CB 3.94Å; M361-A444 WeakPolarHBondContact O-CB 3.49Å; M361-M608 HydrophobicContact CG-CB 4.19Å; M361-M608 HydrophobicContact CG-CG 3.97Å; M361-M608 HydrophobicContact CG-SD 3.67Å; M361-M608 HydrophobicContact SD-CB 4.04Å; M361-M608 HydrophobicContact SD-CG 3.69Å; M361-M608 HydrophobicContact SD-SD 4.09Å; M361-L609 VanDerWaalsContact SD-C 3.58Å
362	S	92	Very high	87.3	Confident	3 Å²	3	21.2 Å²	21.2	2%	0.021	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.5	-173.9	-66.7	0	0	0	0	109.7	Q360 C364 S387 M608 L609	Q360-S362 PolarHBondContact O-N 3.35Å; Q360-S362 VanDerWaalsContact O-N 3.13Å; Q360-S362 PolarHBondContact O-OG 3.09Å; S362-C364 PolarHBondContact O-N 3.37Å; S362-C364 PolarHBondContact O-SG 3.44Å; S362-S387 VanDerWaalsContact OG-C 3.3Å; S362-S387 PolarHBondContact OG-O 2.52Å; S362-M608 CarbonylContact O-C 3.46Å; S362-M608 WeakPolarHBondContact O-CA 3.44Å; S362-M608 VanDerWaalsContact O-CB 3.28Å; S362-M608 WeakPolarHBondContact O-CB 3.44Å; S362-L609 PolarHBondContact N-O 2.86Å; S362-L609 PolarHBondContact O-N 3.15Å
363	V	94.8	Very high	86.7	Confident	3 Å²	3	24.1 Å²	24.1	2%	0.018	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	121	170.5	-178.2	0	0	0	0	108	I384 A444 L445 L448 V606 M608	V363-I384 HydrophobicContact CG1-CD1 4.15Å; V363-I384 WeakPolarHBondContact O-CB 3.34Å; V363-A444 HydrophobicContact CG2-CB 4.27Å; V363-L445 HydrophobicContact CG2-CD2 4.23Å; V363-L448 HydrophobicContact CB-CB 4.26Å; V363-L448 HydrophobicContact CB-CD1 4.19Å; V363-L448 HydrophobicContact CB-CD2 4.35Å; V363-L448 HydrophobicContact CB-CG 4.49Å; V363-L448 HydrophobicContact CG1-CD1 4.03Å; V363-L448 HydrophobicContact CG1-CD2 4.05Å; V363-L448 HydrophobicContact CG1-CG 4.5Å; V363-L448 HydrophobicContact CG2-CB 4.08Å; V363-L448 HydrophobicContact CG2-CD2 4.17Å; V363-V606 HydrophobicContact CG1-CB 4.08Å; V363-V606 HydrophobicContact CG1-CG1 4.46Å; V363-M608 HydrophobicContact CG2-CB 4.17Å; V363-M608 HydrophobicContact CG2-CE 4.18Å
364	C	92.2	Very high	86.2	Confident	24 Å²	24	28.4 Å²	28.4	16%	0.162	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	-27.3	-178.1	-61	0	0	0	0	112.1	S362 I384 L568 G607 L609	S362-C364 PolarHBondContact O-N 3.37Å; S362-C364 PolarHBondContact O-SG 3.44Å; C364-I384 PolarHBondContact O-N 2.85Å; C364-L568 HydrophobicContact CB-CD2 4.46Å; C364-G607 PolarHBondContact N-O 3.25Å; C364-L609 HydrophobicContact CB-CD2 4.14Å; C364-L609 VanDerWaalsContact SG-CD2 3.53Å
365	R	94.5	Very high	86.1	Confident	59 Å²	59	37.6 Å²	37.6	22%	0.223	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	152.8	175.2	-64.8	-162.7	-177.4	-99.9	-8.7	112	F382 E383 Y561 D566 L568 G607	R365-F382 VanDerWaalsContact CA-O 3.27Å; R365-F382 WeakPolarHBondContact CA-O 3.41Å; R365-E383 IonicContact CZ-OE1 2.65Å; R365-E383 IonicContact NH1-OE1 3.47Å; R365-E383 PolarHBondContact NH1-OE1 3.12Å; R365-E383 IonicContact NH2-OE1 2.75Å; R365-E383 PolarHBondContact NH2-OE1 2.96Å; R365-Y561 HydrophobicContact CB-CD2 4.25Å; R365-Y561 HydrophobicContact CB-CE1 4.43Å; R365-Y561 HydrophobicContact CB-CE2 3.46Å; R365-Y561 VanDerWaalsContact CB-CE2 3.46Å; R365-D566 IonicContact CZ-OD2 2.76Å; R365-D566 IonicContact NE-OD2 2.93Å; R365-D566 PolarHBondContact NE-OD2 3.16Å; R365-D566 IonicContact NH2-OD2 3.99Å; R365-L568 HydrophobicContact CB-CD1 3.8Å; R365-L568 HydrophobicContact CG-CD1 4.01Å; R365-G607 PolarHBondContact N-O 3.31Å; R365-G607 VanDerWaalsContact N-O 3.17Å; R365-G607 PolarHBondContact O-N 3.12Å
366	M	96.4	Very high	86	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	161.2	166.2	66.4	-174.6	171.3	0	0	110.4	F382 I384 V395 L410 L448 M452 Y561 V605 V606	M366-F382 HydrophobicContact CE-CB 3.79Å; M366-F382 HydrophobicContact CE-CD2 4.32Å; M366-F382 HydrophobicContact CE-CG 3.97Å; M366-F382 HydrophobicContact CG-CB 3.77Å; M366-F382 HydrophobicContact CG-CD2 4.17Å; M366-F382 HydrophobicContact CG-CG 4.32Å; M366-F382 PolarHBondContact N-O 3.28Å; M366-F382 PolarHBondContact O-N 3.36Å; M366-I384 HydrophobicContact CB-CD1 4.37Å; M366-I384 HydrophobicContact CE-CD1 4.45Å; M366-I384 HydrophobicContact CG-CD1 3.95Å; M366-I384 HydrophobicContact SD-CD1 4.37Å; M366-V395 HydrophobicContact CE-CG1 3.68Å; M366-V395 HydrophobicContact CE-CG2 4.47Å; M366-L410 HydrophobicContact CE-CD1 3.83Å; M366-L410 HydrophobicContact CE-CD2 3.55Å; M366-L410 HydrophobicContact CE-CG 4.33Å; M366-L410 HydrophobicContact CG-CD2 4.48Å; M366-L410 HydrophobicContact SD-CD2 3.77Å; M366-L448 HydrophobicContact SD-CD1 4.36Å; M366-M452 HydrophobicContact CE-CE 4.1Å; M366-M452 HydrophobicContact CE-CG 4.4Å; M366-M452 HydrophobicContact CE-SD 4.32Å; M366-M452 HydrophobicContact SD-CE 4.24Å; M366-M452 HydrophobicContact SD-SD 4.17Å; M366-Y561 PolarHBondContact O-OH 3.05Å; M366-V605 CarbonylContact C-O 3.55Å; M366-V605 WeakPolarHBondContact CA-O 3.42Å; M366-V605 WeakPolarHBondContact CB-O 3.21Å; M366-V606 HydrophobicContact CB-CG1 3.96Å
367	F	95.9	Very high	85.8	Confident	1 Å²	1	42.1 Å²	42.1	0%	0.004	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	150.6	172.2	73.2	-103.6	0	0	0	112.9	V379 H380 I554 H557 V558 Y561 F602 G604 V605	F367-V379 HydrophobicContact CB-CG1 3.68Å; F367-V379 HydrophobicContact CD2-CG1 3.54Å; F367-V379 HydrophobicContact CE2-CG1 4.43Å; F367-V379 HydrophobicContact CG-CG1 3.87Å; F367-H380 WeakPolarHBondContact CA-O 3.4Å; F367-H380 WeakPolarHBondContact CB-O 3.47Å; F367-I554 HydrophobicContact CE2-CG2 4.37Å; F367-I554 HydrophobicContact CZ-CG2 4.13Å; F367-H557 HydrophobicContact CD1-CB 4.34Å; F367-H557 HydrophobicContact CE1-CB 3.73Å; F367-H557 HydrophobicContact CE2-CB 4.46Å; F367-H557 HydrophobicContact CZ-CB 3.81Å; F367-V558 HydrophobicContact CE1-CG2 4.4Å; F367-V558 HydrophobicContact CZ-CG2 4.2Å; F367-Y561 HydrophobicContact CD1-CD2 4.42Å; F367-Y561 AromaticContact CD1-CE2 3.85Å; F367-Y561 HydrophobicContact CD1-CE2 3.85Å; F367-Y561 HydrophobicContact CE1-CE2 4.47Å; F367-F602 HydrophobicContact CE2-CE1 4.5Å; F367-F602 HydrophobicContact CE2-CZ 4.02Å; F367-G604 VanDerWaalsContact O-CA 3.24Å; F367-G604 WeakPolarHBondContact O-CA 3.36Å; F367-V605 HydrophobicContact CD1-CB 3.9Å; F367-V605 HydrophobicContact CD1-CG1 4.34Å; F367-V605 HydrophobicContact CE1-CB 3.42Å; F367-V605 VanDerWaalsContact CE1-CB 3.42Å; F367-V605 HydrophobicContact CE1-CG1 3.78Å; F367-V605 HydrophobicContact CE1-CG2 3.85Å; F367-V605 HydrophobicContact CE2-CB 4.2Å; F367-V605 HydrophobicContact CE2-CG2 4.12Å; F367-V605 HydrophobicContact CG-CB 4.49Å; F367-V605 HydrophobicContact CZ-CB 3.59Å; F367-V605 HydrophobicContact CZ-CG1 4.31Å; F367-V605 HydrophobicContact CZ-CG2 3.5Å; F367-V605 PolarHBondContact N-O 2.97Å; F367-V605 PolarHBondContact O-N 3.44Å
368	I	95.4	Very high	85.9	Confident	11 Å²	11	47 Å²	47	6%	0.056	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	159	172.6	65.3	177.7	0	0	0	109.3	H380 F382 L410 V413	I368-H380 HydrophobicContact CG1-CB 4.49Å; I368-H380 PolarHBondContact N-O 3.16Å; I368-H380 PolarHBondContact O-N 2.83Å; I368-F382 HydrophobicContact CD1-CE2 4.25Å; I368-F382 HydrophobicContact CG1-CE2 3.99Å; I368-L410 HydrophobicContact CD1-CD2 4.08Å; I368-L410 HydrophobicContact CD1-CG 3.99Å; I368-L410 HydrophobicContact CG2-CD2 4.06Å; I368-V413 HydrophobicContact CG2-CG2 3.93Å
369	F	92.4	Very high	86.3	Confident	4 Å²	4	47.4 Å²	47.4	2%	0.018	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	134.8	170.8	-82.3	-80	0	0	0	111.4	P377 E378 V379 V537 I539 L550 I554 F602	F369-P377 HydrophobicContact CD1-CB 4.38Å; F369-P377 HydrophobicContact CE1-CB 3.68Å; F369-E378 WeakPolarHBondContact CD1-O 3.4Å; F369-V379 HydrophobicContact CD1-CG2 3.75Å; F369-V379 HydrophobicContact CE1-CG2 3.53Å; F369-V379 HydrophobicContact CG-CG2 4.44Å; F369-V379 HydrophobicContact CZ-CG2 4.11Å; F369-V537 HydrophobicContact CB-CG1 4.47Å; F369-V537 HydrophobicContact CD2-CG1 3.61Å; F369-V537 HydrophobicContact CE2-CG1 4.13Å; F369-V537 HydrophobicContact CG-CG1 4.23Å; F369-I539 HydrophobicContact CB-CD1 4.39Å; F369-I539 HydrophobicContact CB-CG1 3.92Å; F369-L550 HydrophobicContact CE1-CD2 3.94Å; F369-L550 HydrophobicContact CZ-CD2 4.16Å; F369-I554 HydrophobicContact CE2-CD1 3.8Å; F369-I554 HydrophobicContact CE2-CG1 3.46Å; F369-I554 VanDerWaalsContact CE2-CG1 3.46Å; F369-I554 HydrophobicContact CZ-CD1 4.42Å; F369-I554 HydrophobicContact CZ-CG1 3.78Å; F369-F602 HydrophobicContact CD2-CD1 4.37Å; F369-F602 HydrophobicContact CD2-CE1 4.08Å; F369-F602 HydrophobicContact CE2-CD1 4.41Å; F369-F602 HydrophobicContact CE2-CE1 4.08Å
370	S	88.1	Confident	87	Confident	39 Å²	39	47.2 Å²	47.2	27%	0.273	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-30.8	165.9	60.2	0	0	0	0	112.2	E378 H380 I539	S370-E378 PolarHBondContact N-O 3.04Å; S370-E378 WeakPolarHBondContact OG-CB 3.4Å; S370-E378 WeakPolarHBondContact OG-CG 3.48Å; S370-E378 PolarHBondContact OG-O 3.05Å; S370-H380 WeakPolarHBondContact CB-CD2 3.27Å; S370-H380 WeakPolarHBondContact CB-NE2 3.48Å; S370-H380 PolarHBondContact OG-CD2 3.03Å; S370-H380 PolarHBondContact OG-NE2 2.69Å; S370-I539 WeakPolarHBondContact O-CG2 3.46Å
371	K	84.7	Confident	87.4	Confident	117 Å²	117	47.5 Å²	47.5	51%	0.509	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	134.1	-178	-157.4	177.4	179.1	-173.2	0	112.2	E378	K371-E378 HydrophobicContact CB-CB 3.95Å; K371-E378 PolarHBondContact N-O 2.81Å; K371-E378 PolarHBondContact O-N 3.47Å
372	A	73.6	Confident	87.8	Confident	40 Å²	40	46.3 Å²	46.3	33%	0.331	24%	0.243	S	C	.	.			trans	-101	96	167.3	0	0	0	0	0	107.3	I539 V544 L550	A372-I539 HydrophobicContact CB-CD1 3.06Å; A372-V544 HydrophobicContact CB-CG2 4.04Å; A372-L550 HydrophobicContact CB-CD1 4.01Å; A372-L550 HydrophobicContact CB-CD2 4.18Å
373	D	74.4	Confident	87.9	Confident	65 Å²	65	50.1 Å²	50.1	35%	0.348	26%	0.26	S	S	.	.			trans	-110.1	124.2	156.7	-173.6	-22.2	0	0	0	106.1	K375 A376 P377	D373-K375 PolarHBondContact O-N 3.1Å; D373-K375 VanDerWaalsContact O-N 3.08Å; D373-K375 WeakPolarHBondContact OD1-CB 3.47Å; D373-K375 PolarHBondContact OD1-N 2.48Å; D373-A376 CarbonylContact O-C 3.45Å; D373-A376 PolarHBondContact O-N 3.33Å; D373-A376 VanDerWaalsContact O-N 3.12Å; D373-P377 VanDerWaalsContact O-CD 3.28Å; D373-P377 WeakPolarHBondContact O-CD 3.38Å; D373-P377 WeakPolarHBondContact O-CG 3.38Å
374	D	68.8	Low	87.9	Confident	91 Å²	91	50.6 Å²	50.6	49%	0.487	26%	0.263	S	S	.	.	S	Bend	trans	-59.4	-20.5	178.2	-78.6	-31.8	0	0	0	112.2	T547	D374-T547 WeakPolarHBondContact OD1-CB 3.31Å; D374-T547 VanDerWaalsContact OD1-CG2 3.31Å; D374-T547 WeakPolarHBondContact OD1-CG2 3.41Å; D374-T547 PolarHBondContact OD1-OG1 3.04Å
375	K	75.2	Confident	88	Confident	196 Å²	196	52.3 Å²	52.3	85%	0.852	27%	0.273	S	S	*	.	S	Bend	trans	-91.8	-27.9	177.4	-62.4	-176.4	-179.4	-179.6	0	113.6	D373	D373-K375 PolarHBondContact O-N 3.1Å; D373-K375 VanDerWaalsContact O-N 3.08Å; D373-K375 WeakPolarHBondContact OD1-CB 3.47Å; D373-K375 PolarHBondContact OD1-N 2.48Å
376	A	79	Confident	87.7	Confident	61 Å²	61	51.1 Å²	51.1	50%	0.504	28%	0.279	S	S	.	.	S	Bend	trans	-153.8	74.4	-175.5	0	0	0	0	0	110.9	D373	D373-A376 CarbonylContact O-C 3.45Å; D373-A376 PolarHBondContact O-N 3.33Å; D373-A376 VanDerWaalsContact O-N 3.12Å
377	P	81	Confident	87	Confident	33 Å²	33	52.8 Å²	52.8	21%	0.214	29%	0.291	C	S	.	.			trans	-61.7	138.3	175.9	-14.7	27.3	0	0	0	110.3	F369 D373 L550 E553	F369-P377 HydrophobicContact CD1-CB 4.38Å; F369-P377 HydrophobicContact CE1-CB 3.68Å; D373-P377 VanDerWaalsContact O-CD 3.28Å; D373-P377 WeakPolarHBondContact O-CD 3.38Å; D373-P377 WeakPolarHBondContact O-CG 3.38Å; P377-L550 HydrophobicContact CB-CD2 3.72Å; P377-L550 HydrophobicContact CG-CD2 3.86Å; P377-E553 HydrophobicContact CB-CG 4.46Å
378	E	88.2	Confident	86.6	Confident	103 Å²	103	58.3 Å²	58.3	48%	0.481	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	128.2	179.8	-164.3	177.8	-179.4	0	0	110.4	F369 S370 K371	F369-E378 WeakPolarHBondContact CD1-O 3.4Å; S370-E378 PolarHBondContact N-O 3.04Å; S370-E378 WeakPolarHBondContact OG-CB 3.4Å; S370-E378 WeakPolarHBondContact OG-CG 3.48Å; S370-E378 PolarHBondContact OG-O 3.05Å; K371-E378 HydrophobicContact CB-CB 3.95Å; K371-E378 PolarHBondContact N-O 2.81Å; K371-E378 PolarHBondContact O-N 3.47Å
379	V	91.7	Very high	86.4	Confident	22 Å²	22	58.1 Å²	58.1	13%	0.133	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	129.3	-174.4	-179.4	0	0	0	0	109	F367 F369	F367-V379 HydrophobicContact CB-CG1 3.68Å; F367-V379 HydrophobicContact CD2-CG1 3.54Å; F367-V379 HydrophobicContact CE2-CG1 4.43Å; F367-V379 HydrophobicContact CG-CG1 3.87Å; F369-V379 HydrophobicContact CD1-CG2 3.75Å; F369-V379 HydrophobicContact CE1-CG2 3.53Å; F369-V379 HydrophobicContact CG-CG2 4.44Å; F369-V379 HydrophobicContact CZ-CG2 4.11Å
380	H	94.5	Very high	86.3	Confident	47 Å²	47	58.7 Å²	58.7	22%	0.218	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	120	172	-77.6	-150	0	0	0	109.4	F367 I368 S370 F382 L397 Y407	F367-H380 WeakPolarHBondContact CA-O 3.4Å; F367-H380 WeakPolarHBondContact CB-O 3.47Å; I368-H380 HydrophobicContact CG1-CB 4.49Å; I368-H380 PolarHBondContact N-O 3.16Å; I368-H380 PolarHBondContact O-N 2.83Å; S370-H380 WeakPolarHBondContact CB-CD2 3.27Å; S370-H380 WeakPolarHBondContact CB-NE2 3.48Å; S370-H380 PolarHBondContact OG-CD2 3.03Å; S370-H380 PolarHBondContact OG-NE2 2.69Å; H380-F382 HydrophobicContact CB-CD2 4.43Å; H380-F382 HydrophobicContact CB-CE2 3.55Å; H380-F382 HydrophobicContact CB-CZ 3.8Å; H380-L397 HydrophobicContact CB-CD1 4.14Å; H380-Y407 AromaticContact ND1-CE1 3.66Å
381	H	94.7	Very high	86.3	Confident	51 Å²	51	57.6 Å²	57.6	24%	0.236	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	122.7	175	-71.1	-84.5	0	0	0	110.4	L397 H557 Y561	H381-L397 WeakPolarHBondContact O-CD1 3.42Å; H381-H557 AromaticContact CE1-CE1 3.8Å; H381-H557 AromaticContact CE1-CG 3.87Å; H381-H557 AromaticContact CE1-ND1 3.35Å; H381-H557 PolarHBondContact CE1-ND1 2.69Å; H381-H557 VanDerWaalsContact CE1-ND1 3.35Å; H381-H557 AromaticContact NE2-CE1 3.23Å; H381-H557 PolarHBondContact NE2-CE1 3.16Å; H381-H557 AromaticContact NE2-ND1 3.27Å; H381-H557 PolarHBondContact NE2-ND1 3.13Å; H381-H557 AromaticContact NE2-NE2 3.95Å; H381-Y561 AromaticContact ND1-CE1 3.75Å; H381-Y561 AromaticContact ND1-CZ 3.6Å; H381-Y561 PolarHBondContact ND1-OH 3.45Å
382	F	96.5	Very high	86.5	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	143.5	178.1	-57.4	-93.4	0	0	0	110.8	R365 M366 I368 H380 V395 F396 L397 V402 Y407 L410	R365-F382 VanDerWaalsContact CA-O 3.27Å; R365-F382 WeakPolarHBondContact CA-O 3.41Å; M366-F382 HydrophobicContact CE-CB 3.79Å; M366-F382 HydrophobicContact CE-CD2 4.32Å; M366-F382 HydrophobicContact CE-CG 3.97Å; M366-F382 HydrophobicContact CG-CB 3.77Å; M366-F382 HydrophobicContact CG-CD2 4.17Å; M366-F382 HydrophobicContact CG-CG 4.32Å; M366-F382 PolarHBondContact N-O 3.28Å; M366-F382 PolarHBondContact O-N 3.36Å; I368-F382 HydrophobicContact CD1-CE2 4.25Å; I368-F382 HydrophobicContact CG1-CE2 3.99Å; H380-F382 HydrophobicContact CB-CD2 4.43Å; H380-F382 HydrophobicContact CB-CE2 3.55Å; H380-F382 HydrophobicContact CB-CZ 3.8Å; F382-V395 HydrophobicContact CB-CG1 3.95Å; F382-V395 HydrophobicContact CD1-CG1 3.89Å; F382-V395 HydrophobicContact CG-CG1 4.26Å; F382-F396 CarbonylContact C-O 3.4Å; F382-F396 WeakPolarHBondContact CA-O 3.4Å; F382-L397 HydrophobicContact CD1-CB 4Å; F382-L397 HydrophobicContact CD1-CD1 4.31Å; F382-L397 HydrophobicContact CE1-CB 4.01Å; F382-L397 HydrophobicContact CE1-CD1 4.18Å; F382-L397 HydrophobicContact CE1-CD2 4.13Å; F382-L397 HydrophobicContact CE1-CG 4.33Å; F382-L397 HydrophobicContact CZ-CD1 4.45Å; F382-L397 HydrophobicContact CZ-CD2 4.5Å; F382-V402 HydrophobicContact CD1-CG2 4.03Å; F382-V402 HydrophobicContact CE1-CG2 4.05Å; F382-Y407 HydrophobicContact CE1-CD2 4.38Å; F382-Y407 HydrophobicContact CE1-CE2 4.27Å; F382-Y407 HydrophobicContact CZ-CD1 4.1Å; F382-Y407 HydrophobicContact CZ-CD2 4.46Å; F382-Y407 HydrophobicContact CZ-CE1 4.23Å; F382-Y407 HydrophobicContact CZ-CG 4.22Å; F382-L410 HydrophobicContact CD1-CD1 4.2Å; F382-L410 HydrophobicContact CD2-CD1 4.48Å; F382-L410 HydrophobicContact CD2-CD2 4.21Å; F382-L410 HydrophobicContact CE1-CD1 3.82Å; F382-L410 HydrophobicContact CE2-CD1 4.15Å; F382-L410 HydrophobicContact CE2-CD2 4.05Å; F382-L410 HydrophobicContact CE2-CG 4.31Å; F382-L410 HydrophobicContact CZ-CD1 3.79Å; F382-L410 HydrophobicContact CZ-CD2 4.49Å; F382-L410 HydrophobicContact CZ-CG 4.27Å
383	E	95	Very high	87.3	Confident	83 Å²	83	57.7 Å²	57.7	39%	0.388	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	137.4	172.4	-66.6	-178.6	176.5	0	0	109.5	R365 V395 F396	R365-E383 IonicContact CZ-OE1 2.65Å; R365-E383 IonicContact NH1-OE1 3.47Å; R365-E383 PolarHBondContact NH1-OE1 3.12Å; R365-E383 IonicContact NH2-OE1 2.75Å; R365-E383 PolarHBondContact NH2-OE1 2.96Å; E383-V395 CarbonylContact O-C 3.53Å; E383-V395 WeakPolarHBondContact O-CA 2.75Å; E383-F396 HydrophobicContact CB-CB 4.38Å; E383-F396 PolarHBondContact N-O 2.99Å; E383-F396 PolarHBondContact O-N 3.32Å
384	I	94.8	Very high	88.2	Confident	13 Å²	13	58.2 Å²	58.2	7%	0.067	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	129.8	-177.4	-57.6	87.9	0	0	0	108.8	V363 C364 M366 E394 V395 L448 K451	V363-I384 HydrophobicContact CG1-CD1 4.15Å; V363-I384 WeakPolarHBondContact O-CB 3.34Å; C364-I384 PolarHBondContact O-N 2.85Å; M366-I384 HydrophobicContact CB-CD1 4.37Å; M366-I384 HydrophobicContact CE-CD1 4.45Å; M366-I384 HydrophobicContact CG-CD1 3.95Å; M366-I384 HydrophobicContact SD-CD1 4.37Å; I384-E394 WeakPolarHBondContact CA-O 3.37Å; I384-V395 HydrophobicContact CG1-CG2 4.28Å; I384-L448 HydrophobicContact CD1-CD1 4.36Å; I384-L448 HydrophobicContact CG1-CD1 3.86Å; I384-L448 HydrophobicContact CG2-CD1 4.33Å; I384-K451 HydrophobicContact CG2-CD 3.73Å
385	T	92.7	Very high	89.5	Confident	61 Å²	61	54.1 Å²	54.1	37%	0.374	29%	0.292	S	S	.	.			trans	-91.6	167.6	176.2	63.5	0	0	0	0	112.6	E394 F396 K451	T385-E394 PolarHBondContact N-O 3.29Å; T385-E394 PolarHBondContact OG1-N 3.3Å; T385-E394 PolarHBondContact OG1-O 3.46Å; T385-F396 HydrophobicContact CG2-CD2 3.98Å; T385-F396 HydrophobicContact CG2-CE2 3.55Å; T385-K451 WeakPolarHBondContact O-CE 3.37Å; T385-K451 PolarHBondContact O-NZ 3.37Å
386	G	88	Confident	90.6	Very high	34 Å²	34	47 Å²	47	35%	0.351	26%	0.261	S	S	.	.			trans	89.9	117.9	-176.8	0	0	0	0	0	112.2	K451	G386-K451 PolarHBondContact O-NZ 3.17Å
387	S	83.2	Confident	91.4	Very high	37 Å²	37	45 Å²	45	26%	0.259	24%	0.242	S	C	.	.	S	Bend	trans	-100.7	9.4	-174.1	50.3	0	0	0	0	114.2	T358 S362 P611	T358-S387 PolarHBondContact OG1-O 3.49Å; T358-S387 VanDerWaalsContact OG1-O 3.04Å; S362-S387 VanDerWaalsContact OG-C 3.3Å; S362-S387 PolarHBondContact OG-O 2.52Å; S387-P611 VanDerWaalsContact CB-CG 3.47Å; S387-P611 WeakPolarHBondContact O-CG 3.29Å
388	K	87.3	Confident	91.9	Very high	116 Å²	116	50.6 Å²	50.6	50%	0.504	27%	0.27	S	S	.	.	S	Bend	trans	-126	167.7	-175.7	-65.7	-176.3	-177.7	-179.9	0	110.7	A390	K388-A390 HydrophobicContact CB-CB 4.4Å; K388-A390 PolarHBondContact O-N 3.22Å
389	Y	90.6	Very high	92	Very high	7 Å²	7	48.6 Å²	48.6	3%	0.027	28%	0.277	C	S	.	.	S	Bend	trans	-70.7	-7.8	171	-64.4	-49.8	0	0	0	113.8	Q360 M361 K436 A440 T443 C447	Q360-Y389 HydrophobicContact CB-CD2 4.03Å; Q360-Y389 HydrophobicContact CB-CE1 4.44Å; Q360-Y389 HydrophobicContact CB-CE2 3.84Å; Q360-Y389 HydrophobicContact CB-CG 4.4Å; Q360-Y389 HydrophobicContact CG-CD2 3.78Å; Q360-Y389 HydrophobicContact CG-CE2 3.69Å; M361-Y389 PolarHBondContact N-OH 3.32Å; M361-Y389 VanDerWaalsContact O-CE1 3.23Å; M361-Y389 WeakPolarHBondContact O-CE1 3.43Å; Y389-K436 HydrophobicContact CD2-CB 4.22Å; Y389-K436 HydrophobicContact CE2-CB 3.86Å; Y389-K436 HydrophobicContact CE2-CD 4.38Å; Y389-K436 HydrophobicContact CE2-CG 4.14Å; Y389-A440 WeakPolarHBondContact OH-CB 3.46Å; Y389-T443 HydrophobicContact CD1-CG2 3.59Å; Y389-T443 HydrophobicContact CE1-CG2 3.81Å; Y389-T443 HydrophobicContact CG-CG2 4.04Å; Y389-C447 PolarHBondContact O-SG 3.37Å
390	A	90.2	Very high	92.1	Very high	17 Å²	17	54.5 Å²	54.5	14%	0.14	30%	0.303	C	S	.	.	S	Bend	trans	-56.1	136.4	171.8	0	0	0	0	0	110.2	K388 E392 Y434 C447	K388-A390 HydrophobicContact CB-CB 4.4Å; K388-A390 PolarHBondContact O-N 3.22Å; A390-E392 HydrophobicContact CB-CB 4.46Å; A390-E392 HydrophobicContact CB-CG 4.38Å; A390-E392 PolarHBondContact O-N 2.75Å; A390-Y434 HydrophobicContact CB-CD2 3.62Å; A390-Y434 HydrophobicContact CB-CE2 4.11Å; A390-Y434 HydrophobicContact CB-CG 4.4Å; A390-C447 PolarHBondContact O-SG 3.25Å; A390-C447 VanDerWaalsContact O-SG 3.34Å
391	P	89.3	Confident	92.2	Very high	15 Å²	15	58.6 Å²	58.6	10%	0.097	32%	0.32	C	S	.	.	S	Bend	trans	-75	38.3	-179.7	33.4	-36.8	0	0	0	112.3	Y434 E450 L467	P391-Y434 HydrophobicContact CG-CE1 4.19Å; P391-E450 HydrophobicContact CB-CB 3.6Å; P391-E450 HydrophobicContact CB-CG 4.01Å; P391-L467 HydrophobicContact CG-CB 4.35Å; P391-L467 WeakPolarHBondContact CG-O 3.47Å
392	E	88.4	Confident	92.2	Very high	133 Å²	133	57.4 Å²	57.4	62%	0.621	32%	0.317	S	S	*	.			trans	-115.2	122.8	-176	-64.1	175.8	-167.7	0	0	108.8	A390 K451	A390-E392 HydrophobicContact CB-CB 4.46Å; A390-E392 HydrophobicContact CB-CG 4.38Å; A390-E392 PolarHBondContact O-N 2.75Å; E392-K451 VanDerWaalsContact O-CE 3.27Å; E392-K451 WeakPolarHBondContact O-CE 3.37Å
393	G	90.7	Very high	92.1	Very high	27 Å²	27	62 Å²	62	28%	0.278	34%	0.338	S	S	.	.			trans	157.6	163.7	-176.7	0	0	0	0	0	111.4
394	E	93.7	Very high	92.1	Very high	75 Å²	75	58.2 Å²	58.2	35%	0.35	32%	0.321	S	S	.	.			trans	-132.2	158.9	-176.5	-57	-173.1	157.7	0	0	110.2	I384 T385 F396 K401	I384-E394 WeakPolarHBondContact CA-O 3.37Å; T385-E394 PolarHBondContact N-O 3.29Å; T385-E394 PolarHBondContact OG1-N 3.3Å; T385-E394 PolarHBondContact OG1-O 3.46Å; E394-F396 HydrophobicContact CB-CD2 4.48Å; E394-F396 HydrophobicContact CB-CE2 3.69Å; E394-F396 HydrophobicContact CB-CZ 4.14Å; E394-K401 WeakPolarHBondContact OE1-CE 3.48Å; E394-K401 IonicContact OE1-NZ 3.05Å; E394-K401 PolarHBondContact OE1-NZ 3.13Å; E394-K401 VanDerWaalsContact OE2-CD 3.28Å; E394-K401 WeakPolarHBondContact OE2-CD 3.49Å; E394-K401 WeakPolarHBondContact OE2-CE 3.32Å; E394-K401 IonicContact OE2-NZ 3.45Å
395	V	96.3	Very high	91.9	Very high	5 Å²	5	58.8 Å²	58.8	3%	0.03	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	130.6	179.6	-176.4	0	0	0	0	109.2	M366 F382 E383 I384 V402 M452	M366-V395 HydrophobicContact CE-CG1 3.68Å; M366-V395 HydrophobicContact CE-CG2 4.47Å; F382-V395 HydrophobicContact CB-CG1 3.95Å; F382-V395 HydrophobicContact CD1-CG1 3.89Å; F382-V395 HydrophobicContact CG-CG1 4.26Å; E383-V395 CarbonylContact O-C 3.53Å; E383-V395 WeakPolarHBondContact O-CA 2.75Å; I384-V395 HydrophobicContact CG1-CG2 4.28Å; V395-V402 HydrophobicContact CG1-CG2 4.13Å; V395-V402 PolarHBondContact O-N 3.03Å; V395-M452 HydrophobicContact CG2-CG 4.2Å
396	F	96.8	Very high	91.9	Very high	47 Å²	47	62.3 Å²	62.3	21%	0.206	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	143.1	-178.5	-65	-97.2	0	0	0	111.1	F382 E383 T385 E394 Q400 K401	F382-F396 CarbonylContact C-O 3.4Å; F382-F396 WeakPolarHBondContact CA-O 3.4Å; E383-F396 HydrophobicContact CB-CB 4.38Å; E383-F396 PolarHBondContact N-O 2.99Å; E383-F396 PolarHBondContact O-N 3.32Å; T385-F396 HydrophobicContact CG2-CD2 3.98Å; T385-F396 HydrophobicContact CG2-CE2 3.55Å; E394-F396 HydrophobicContact CB-CD2 4.48Å; E394-F396 HydrophobicContact CB-CE2 3.69Å; E394-F396 HydrophobicContact CB-CZ 4.14Å; F396-Q400 CarbonylContact C-O 3.58Å; F396-Q400 VanDerWaalsContact CA-O 3.22Å; F396-Q400 WeakPolarHBondContact CA-O 3.31Å; F396-K401 HydrophobicContact CD1-CB 4.24Å; F396-K401 HydrophobicContact CE1-CB 3.92Å; F396-K401 HydrophobicContact CZ-CB 4.46Å
397	L	95.6	Very high	92.2	Very high	20 Å²	20	63.2 Å²	63.2	11%	0.105	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.1	168.1	178.3	63.3	0	0	0	107.3	H380 H381 F382 G399 Q400 V402 Y407	H380-L397 HydrophobicContact CB-CD1 4.14Å; H381-L397 WeakPolarHBondContact O-CD1 3.42Å; F382-L397 HydrophobicContact CD1-CB 4Å; F382-L397 HydrophobicContact CD1-CD1 4.31Å; F382-L397 HydrophobicContact CE1-CB 4.01Å; F382-L397 HydrophobicContact CE1-CD1 4.18Å; F382-L397 HydrophobicContact CE1-CD2 4.13Å; F382-L397 HydrophobicContact CE1-CG 4.33Å; F382-L397 HydrophobicContact CZ-CD1 4.45Å; F382-L397 HydrophobicContact CZ-CD2 4.5Å; L397-G399 PolarHBondContact O-N 3.23Å; L397-Q400 PolarHBondContact N-O 3.17Å; L397-Q400 PolarHBondContact O-N 2.86Å; L397-V402 HydrophobicContact CB-CG1 3.76Å; L397-V402 HydrophobicContact CB-CG2 4.08Å; L397-Y407 HydrophobicContact CD2-CE1 4.3Å; L397-Y407 WeakPolarHBondContact CD2-OH 3.21Å
398	N	91.9	Very high	92.5	Very high	149 Å²	149	64.5 Å²	64.5	80%	0.797	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	39.6	-177.8	-58.6	-28.2	0	0	0	113.6	Q400	N398-Q400 VanDerWaalsContact C-N 3.26Å; N398-Q400 PolarHBondContact O-N 3.19Å
399	G	90.4	Very high	92.8	Very high	61 Å²	61	59.2 Å²	59.2	63%	0.629	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	-1.8	-179.5	0	0	0	0	0	115.5	L397	L397-G399 PolarHBondContact O-N 3.23Å
400	Q	94.9	Very high	93	Very high	147 Å²	147	58.9 Å²	58.9	69%	0.687	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	135.2	175.5	-65.9	-171.9	-4.8	0	0	111	F396 L397 N398 V402	F396-Q400 CarbonylContact C-O 3.58Å; F396-Q400 VanDerWaalsContact CA-O 3.22Å; F396-Q400 WeakPolarHBondContact CA-O 3.31Å; L397-Q400 PolarHBondContact N-O 3.17Å; L397-Q400 PolarHBondContact O-N 2.86Å; N398-Q400 VanDerWaalsContact C-N 3.26Å; N398-Q400 PolarHBondContact O-N 3.19Å; Q400-V402 PolarHBondContact O-N 3.09Å
401	K	95.1	Very high	93.2	Very high	132 Å²	132	58.5 Å²	58.5	57%	0.574	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.7	130.7	173.5	-176.7	-175	-177.4	169.4	0	109.2	E394 F396	E394-K401 WeakPolarHBondContact OE1-CE 3.48Å; E394-K401 IonicContact OE1-NZ 3.05Å; E394-K401 PolarHBondContact OE1-NZ 3.13Å; E394-K401 VanDerWaalsContact OE2-CD 3.28Å; E394-K401 WeakPolarHBondContact OE2-CD 3.49Å; E394-K401 WeakPolarHBondContact OE2-CE 3.32Å; E394-K401 IonicContact OE2-NZ 3.45Å; F396-K401 HydrophobicContact CD1-CB 4.24Å; F396-K401 HydrophobicContact CE1-CB 3.92Å; F396-K401 HydrophobicContact CZ-CB 4.46Å
402	V	95.6	Very high	93.4	Very high	27 Å²	27	58.6 Å²	58.6	16%	0.164	31%	0.311	C	S	.	.			trans	-124.8	149.2	-179.9	-68.6	0	0	0	0	111.5	F382 V395 L397 Q400 S404 Y407	F382-V402 HydrophobicContact CD1-CG2 4.03Å; F382-V402 HydrophobicContact CE1-CG2 4.05Å; V395-V402 HydrophobicContact CG1-CG2 4.13Å; V395-V402 PolarHBondContact O-N 3.03Å; L397-V402 HydrophobicContact CB-CG1 3.76Å; L397-V402 HydrophobicContact CB-CG2 4.08Å; Q400-V402 PolarHBondContact O-N 3.09Å; V402-S404 PolarHBondContact O-N 3.45Å; V402-Y407 HydrophobicContact CB-CE2 4.18Å; V402-Y407 HydrophobicContact CG2-CE2 4.46Å
403	E	94.6	Very high	93.7	Very high	96 Å²	96	52.4 Å²	52.4	45%	0.449	28%	0.282	S	S	.	.			trans	-82.1	114.3	169.9	-68.4	-166.8	165.7	0	0	109.8	G405 E406 K456	E403-G405 PolarHBondContact O-N 3.2Å; E403-G405 VanDerWaalsContact O-N 3.14Å; E403-E406 HydrophobicContact CB-CG 4.06Å; E403-E406 PolarHBondContact O-N 3.36Å; E403-E406 VanDerWaalsContact O-N 3.12Å; E403-K456 IonicContact OE1-NZ 3.48Å; E403-K456 WeakPolarHBondContact OE2-CE 3.45Å; E403-K456 IonicContact OE2-NZ 3.93Å; E403-K456 PolarHBondContact OE2-NZ 2.95Å
404	S	93.7	Very high	94	Very high	4 Å²	4	51.1 Å²	51.1	3%	0.028	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-62.4	-26.7	-175.1	-62.9	0	0	0	0	113.1	V402 E406 Y407 L410 M452	V402-S404 PolarHBondContact O-N 3.45Å; S404-E406 PolarHBondContact O-N 3.45Å; S404-Y407 PolarHBondContact O-N 3.09Å; S404-L410 WeakPolarHBondContact O-CB 3.42Å; S404-M452 WeakPolarHBondContact CB-O 3.48Å
405	G	91.9	Very high	94.1	Very high	25 Å²	25	47.7 Å²	47.7	26%	0.258	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-68	-14.3	178.1	0	0	0	0	0	115.1	E403 Y407 V454	E403-G405 PolarHBondContact O-N 3.2Å; E403-G405 VanDerWaalsContact O-N 3.14Å; G405-Y407 VanDerWaalsContact C-N 3.27Å; G405-V454 VanDerWaalsContact CA-O 3.25Å; G405-V454 WeakPolarHBondContact CA-O 3.18Å
406	E	92.4	Very high	94.1	Very high	134 Å²	134	47.5 Å²	47.5	63%	0.626	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-77.9	-14.4	176.3	-63.8	-174.6	159.2	0	0	112.9	E403 S404	E403-E406 HydrophobicContact CB-CG 4.06Å; E403-E406 PolarHBondContact O-N 3.36Å; E403-E406 VanDerWaalsContact O-N 3.12Å; S404-E406 PolarHBondContact O-N 3.45Å
407	Y	93.5	Very high	94.1	Very high	54 Å²	54	45.3 Å²	45.3	21%	0.212	24%	0.242	C	C	.	.			trans	-108.1	104.7	-179.2	-59.8	-94	0	0	0	109.4	H380 F382 L397 V402 S404 G405 G409 L410 V411	H380-Y407 AromaticContact ND1-CE1 3.66Å; F382-Y407 HydrophobicContact CE1-CD2 4.38Å; F382-Y407 HydrophobicContact CE1-CE2 4.27Å; F382-Y407 HydrophobicContact CZ-CD1 4.1Å; F382-Y407 HydrophobicContact CZ-CD2 4.46Å; F382-Y407 HydrophobicContact CZ-CE1 4.23Å; F382-Y407 HydrophobicContact CZ-CG 4.22Å; L397-Y407 HydrophobicContact CD2-CE1 4.3Å; L397-Y407 WeakPolarHBondContact CD2-OH 3.21Å; V402-Y407 HydrophobicContact CB-CE2 4.18Å; V402-Y407 HydrophobicContact CG2-CE2 4.46Å; S404-Y407 PolarHBondContact O-N 3.09Å; G405-Y407 VanDerWaalsContact C-N 3.27Å; Y407-G409 PolarHBondContact O-N 3.43Å; Y407-G409 VanDerWaalsContact O-N 3.09Å; Y407-L410 HydrophobicContact CD2-CD1 4.15Å; Y407-L410 HydrophobicContact CG-CD1 4.25Å; Y407-L410 WeakPolarHBondContact O-CA 3.27Å; Y407-L410 WeakPolarHBondContact O-CB 3.22Å; Y407-L410 PolarHBondContact O-N 3.39Å; Y407-V411 PolarHBondContact O-N 3.2Å; Y407-V411 VanDerWaalsContact O-N 3.16Å
408	D	90.7	Very high	94.2	Very high	64 Å²	64	44.4 Å²	44.4	34%	0.342	24%	0.238	S	C	.	.	H	α-helix	trans	-50.5	-39.7	-179.4	-69.5	-52.5	0	0	0	113.2	L410 V411 E412 N541	D408-L410 VanDerWaalsContact C-N 3.3Å; D408-L410 PolarHBondContact O-N 3.01Å; D408-V411 WeakPolarHBondContact O-CB 3.47Å; D408-V411 PolarHBondContact O-N 3.35Å; D408-V411 VanDerWaalsContact O-N 3.15Å; D408-E412 PolarHBondContact O-N 3.26Å; D408-E412 VanDerWaalsContact O-N 3.09Å; D408-N541 VanDerWaalsContact CB-OD1 3.31Å; D408-N541 WeakPolarHBondContact CB-OD1 3.33Å; D408-N541 VanDerWaalsContact CG-OD1 3.31Å; D408-N541 PolarHBondContact OD1-ND2 3.47Å; D408-N541 PolarHBondContact OD1-OD1 2.91Å; D408-N541 PolarHBondContact OD2-ND2 3.48Å
409	G	91.9	Very high	94.4	Very high	4 Å²	4	37.7 Å²	37.7	4%	0.041	20%	0.202	C	C	.	.	H	α-helix	trans	-62.3	-35.8	176.7	0	0	0	0	0	112.8	Y407 E412 V413	Y407-G409 PolarHBondContact O-N 3.43Å; Y407-G409 VanDerWaalsContact O-N 3.09Å; G409-E412 PolarHBondContact O-N 2.85Å; G409-V413 WeakPolarHBondContact O-CG2 3.44Å; G409-V413 PolarHBondContact O-N 3.03Å
410	L	95.1	Very high	94.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-70.9	-32.8	174.5	-68.4	-170.4	0	0	0	112.2	M366 I368 F382 S404 Y407 D408 E412 V413 A414 M452	M366-L410 HydrophobicContact CE-CD1 3.83Å; M366-L410 HydrophobicContact CE-CD2 3.55Å; M366-L410 HydrophobicContact CE-CG 4.33Å; M366-L410 HydrophobicContact CG-CD2 4.48Å; M366-L410 HydrophobicContact SD-CD2 3.77Å; I368-L410 HydrophobicContact CD1-CD2 4.08Å; I368-L410 HydrophobicContact CD1-CG 3.99Å; I368-L410 HydrophobicContact CG2-CD2 4.06Å; F382-L410 HydrophobicContact CD1-CD1 4.2Å; F382-L410 HydrophobicContact CD2-CD1 4.48Å; F382-L410 HydrophobicContact CD2-CD2 4.21Å; F382-L410 HydrophobicContact CE1-CD1 3.82Å; F382-L410 HydrophobicContact CE2-CD1 4.15Å; F382-L410 HydrophobicContact CE2-CD2 4.05Å; F382-L410 HydrophobicContact CE2-CG 4.31Å; F382-L410 HydrophobicContact CZ-CD1 3.79Å; F382-L410 HydrophobicContact CZ-CD2 4.49Å; F382-L410 HydrophobicContact CZ-CG 4.27Å; S404-L410 WeakPolarHBondContact O-CB 3.42Å; Y407-L410 HydrophobicContact CD2-CD1 4.15Å; Y407-L410 HydrophobicContact CG-CD1 4.25Å; Y407-L410 WeakPolarHBondContact O-CA 3.27Å; Y407-L410 WeakPolarHBondContact O-CB 3.22Å; Y407-L410 PolarHBondContact O-N 3.39Å; D408-L410 VanDerWaalsContact C-N 3.3Å; D408-L410 PolarHBondContact O-N 3.01Å; L410-E412 VanDerWaalsContact C-N 3.32Å; L410-V413 PolarHBondContact O-N 3.11Å; L410-A414 WeakPolarHBondContact O-CB 3.49Å; L410-A414 PolarHBondContact O-N 3.26Å; L410-M452 HydrophobicContact CB-CE 3.64Å; L410-M452 HydrophobicContact CD1-CE 4.44Å; L410-M452 HydrophobicContact CD2-CE 4.12Å; L410-M452 HydrophobicContact CG-CE 4.27Å; L410-M452 WeakPolarHBondContact O-CE 3.46Å
411	V	94.5	Very high	94.8	Very high	10 Å²	10	28.2 Å²	28.2	6%	0.061	14%	0.142	C	C	.	.	H	α-helix	trans	-61.2	-44.4	172.1	-174.6	0	0	0	0	110.1	Y407 D408 A414 N415 V454 Y455	Y407-V411 PolarHBondContact O-N 3.2Å; Y407-V411 VanDerWaalsContact O-N 3.16Å; D408-V411 WeakPolarHBondContact O-CB 3.47Å; D408-V411 PolarHBondContact O-N 3.35Å; D408-V411 VanDerWaalsContact O-N 3.15Å; V411-A414 PolarHBondContact O-N 3.44Å; V411-N415 PolarHBondContact O-N 2.88Å; V411-N415 PolarHBondContact O-ND2 3.22Å; V411-V454 HydrophobicContact CG1-CG2 4.33Å; V411-V454 HydrophobicContact CG2-CB 4.24Å; V411-Y455 HydrophobicContact CG1-CE1 4.05Å; V411-Y455 HydrophobicContact CG1-CE2 4.24Å; V411-Y455 VanDerWaalsContact CG1-OH 3.26Å; V411-Y455 WeakPolarHBondContact CG1-OH 3.26Å
412	E	93.4	Very high	94.7	Very high	16 Å²	16	26.4 Å²	26.4	8%	0.075	14%	0.138	C	C	.	.	H	α-helix	trans	-68.7	-39.9	176.7	-161.6	171.1	-148.4	0	0	112	D408 G409 L410 A414 N415 I416 T511 R538 T575 V603	D408-E412 PolarHBondContact O-N 3.26Å; D408-E412 VanDerWaalsContact O-N 3.09Å; G409-E412 PolarHBondContact O-N 2.85Å; L410-E412 VanDerWaalsContact C-N 3.32Å; E412-A414 PolarHBondContact O-N 3.22Å; E412-N415 PolarHBondContact O-N 3.01Å; E412-I416 HydrophobicContact CG-CD1 4.39Å; E412-I416 WeakPolarHBondContact O-CG1 3.31Å; E412-I416 PolarHBondContact O-N 3.34Å; E412-T511 PolarHBondContact OE1-OG1 2.8Å; E412-R538 IonicContact OE1-CZ 3.79Å; E412-R538 IonicContact OE1-NE 2.66Å; E412-R538 PolarHBondContact OE1-NE 2.87Å; E412-R538 IonicContact OE1-NH2 3.74Å; E412-R538 PolarHBondContact OE1-NH2 3.48Å; E412-R538 WeakPolarHBondContact OE2-CD 3.47Å; E412-R538 VanDerWaalsContact OE2-CG 3.28Å; E412-R538 WeakPolarHBondContact OE2-CG 3.45Å; E412-R538 IonicContact OE2-CZ 3.66Å; E412-R538 IonicContact OE2-NE 2.78Å; E412-R538 PolarHBondContact OE2-NE 2.85Å; E412-R538 IonicContact OE2-NH2 3.95Å; E412-T575 WeakPolarHBondContact OE1-CG2 3.36Å; E412-V603 HydrophobicContact CB-CG1 3.91Å; E412-V603 HydrophobicContact CG-CG1 4.06Å; E412-V603 HydrophobicContact CG-CG2 4.23Å
413	V	96.1	Very high	94.6	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.018	13%	0.134	C	C	.	.	H	α-helix	trans	-54.9	-49.4	171.1	163.8	0	0	0	0	111.2	I368 G409 L410 N415 I416 C417 M452 L573 V603 V606	I368-V413 HydrophobicContact CG2-CG2 3.93Å; G409-V413 WeakPolarHBondContact O-CG2 3.44Å; G409-V413 PolarHBondContact O-N 3.03Å; L410-V413 PolarHBondContact O-N 3.11Å; V413-N415 VanDerWaalsContact C-N 3.32Å; V413-N415 PolarHBondContact O-N 3.46Å; V413-I416 PolarHBondContact O-N 3.21Å; V413-C417 WeakPolarHBondContact O-CB 3.4Å; V413-C417 PolarHBondContact O-N 2.96Å; V413-C417 PolarHBondContact O-SG 3.29Å; V413-M452 HydrophobicContact CG1-CE 4.33Å; V413-L573 HydrophobicContact CB-CD1 4.34Å; V413-L573 HydrophobicContact CG1-CD1 3.73Å; V413-L573 HydrophobicContact CG2-CD1 4.25Å; V413-V603 HydrophobicContact CG2-CG1 3.88Å; V413-V606 HydrophobicContact CG1-CG1 4.44Å
414	A	96.5	Very high	94.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.3	-40.2	179.6	0	0	0	0	0	111.9	L410 V411 E412 C417 A418 V449 M452 V454 I475	L410-A414 WeakPolarHBondContact O-CB 3.49Å; L410-A414 PolarHBondContact O-N 3.26Å; V411-A414 PolarHBondContact O-N 3.44Å; E412-A414 PolarHBondContact O-N 3.22Å; A414-C417 PolarHBondContact O-N 3.46Å; A414-A418 WeakPolarHBondContact O-CB 3.39Å; A414-A418 PolarHBondContact O-N 3.04Å; A414-V449 HydrophobicContact CB-CG2 4.48Å; A414-V449 WeakPolarHBondContact O-CG2 3.43Å; A414-M452 HydrophobicContact CB-CE 4.08Å; A414-M452 HydrophobicContact CB-SD 4.28Å; A414-V454 HydrophobicContact CB-CB 4.4Å; A414-V454 HydrophobicContact CB-CG1 3.73Å; A414-V454 HydrophobicContact CB-CG2 3.72Å; A414-I475 HydrophobicContact CB-CD1 4.15Å
415	N	95.2	Very high	94.7	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.021	12%	0.124	C	C	.	.	H	α-helix	trans	-62.4	-43.5	175.6	-77	-50.8	0	0	0	112.4	V411 E412 V413 M419 Y455 I475 W479 F522	V411-N415 PolarHBondContact O-N 2.88Å; V411-N415 PolarHBondContact O-ND2 3.22Å; E412-N415 PolarHBondContact O-N 3.01Å; V413-N415 VanDerWaalsContact C-N 3.32Å; V413-N415 PolarHBondContact O-N 3.46Å; N415-M419 WeakPolarHBondContact O-CB 3.44Å; N415-M419 WeakPolarHBondContact O-CG 3.44Å; N415-M419 PolarHBondContact O-N 2.66Å; N415-Y455 PolarHBondContact ND2-OH 2.79Å; N415-Y455 VanDerWaalsContact ND2-OH 3.08Å; N415-I475 VanDerWaalsContact OD1-CG2 3.23Å; N415-I475 WeakPolarHBondContact OD1-CG2 3.47Å; N415-W479 PolarHBondContact OD1-NE1 3.37Å; N415-F522 HydrophobicContact CB-CE2 3.87Å; N415-F522 HydrophobicContact CB-CZ 4.14Å
416	I	96.8	Very high	94.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.2	-48.1	175.8	-64.6	166.1	0	0	0	110.1	E412 V413 A418 C420 F522 L573 V603	E412-I416 HydrophobicContact CG-CD1 4.39Å; E412-I416 WeakPolarHBondContact O-CG1 3.31Å; E412-I416 PolarHBondContact O-N 3.34Å; V413-I416 PolarHBondContact O-N 3.21Å; I416-A418 VanDerWaalsContact C-N 3.31Å; I416-A418 PolarHBondContact O-N 2.82Å; I416-C420 HydrophobicContact CG2-CB 4.31Å; I416-C420 WeakPolarHBondContact O-CA 3.29Å; I416-C420 WeakPolarHBondContact O-CB 3.49Å; I416-C420 PolarHBondContact O-N 2.79Å; I416-F522 HydrophobicContact CB-CB 4.39Å; I416-F522 HydrophobicContact CB-CG 4.43Å; I416-F522 HydrophobicContact CG1-CB 4Å; I416-F522 HydrophobicContact CG1-CD1 3.9Å; I416-F522 HydrophobicContact CG1-CD2 4.11Å; I416-F522 HydrophobicContact CG1-CE1 4.42Å; I416-F522 HydrophobicContact CG1-CG 3.74Å; I416-F522 HydrophobicContact CG2-CB 4.24Å; I416-L573 HydrophobicContact CD1-CB 4.12Å; I416-L573 HydrophobicContact CG2-CB 4.13Å; I416-L573 HydrophobicContact CG2-CD2 3.92Å; I416-L573 HydrophobicContact CG2-CG 4.45Å; I416-V603 HydrophobicContact CD1-CB 3.96Å; I416-V603 HydrophobicContact CD1-CG1 4.22Å; I416-V603 HydrophobicContact CD1-CG2 3.78Å
417	C	97.5	Very high	94.8	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.007	10%	0.104	C	C	.	.	H	α-helix	trans	-60.9	-35.8	-179.2	-74.3	0	0	0	0	113.7	V413 A414 N421 L445 V449	V413-C417 WeakPolarHBondContact O-CB 3.4Å; V413-C417 PolarHBondContact O-N 2.96Å; V413-C417 PolarHBondContact O-SG 3.29Å; A414-C417 PolarHBondContact O-N 3.46Å; C417-N421 WeakPolarHBondContact O-CB 3.11Å; C417-N421 PolarHBondContact O-ND2 2.8Å; C417-N421 VanDerWaalsContact O-ND2 3.07Å; C417-L445 HydrophobicContact CB-CB 4.09Å; C417-V449 HydrophobicContact CB-CG2 3.57Å
418	A	96.9	Very high	94.7	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.008	10%	0.102	C	C	.	.	H	α-helix	trans	-81.2	-40.7	-179.8	0	0	0	0	0	113.2	A414 I416 V449 N472 I475	A414-A418 WeakPolarHBondContact O-CB 3.39Å; A414-A418 PolarHBondContact O-N 3.04Å; I416-A418 VanDerWaalsContact C-N 3.31Å; I416-A418 PolarHBondContact O-N 2.82Å; A418-V449 HydrophobicContact CB-CG1 4.26Å; A418-V449 HydrophobicContact CB-CG2 4.08Å; A418-N472 WeakPolarHBondContact CB-OD1 3.34Å; A418-I475 HydrophobicContact CB-CB 3.98Å; A418-I475 HydrophobicContact CB-CD1 3.94Å; A418-I475 HydrophobicContact CB-CG2 3.71Å
419	M	96.4	Very high	94.7	Very high	8 Å²	8	21 Å²	21	4%	0.039	11%	0.113	C	C	.	.	H	α-helix	trans	-90.2	-39.3	-173	-66	-55.3	-57	0	0	113.1	N415 N421 I475 Q476 W479 K481 V496 L498 F522	N415-M419 WeakPolarHBondContact O-CB 3.44Å; N415-M419 WeakPolarHBondContact O-CG 3.44Å; N415-M419 PolarHBondContact O-N 2.66Å; M419-N421 PolarHBondContact O-N 3.4Å; M419-I475 HydrophobicContact CG-CG2 3.98Å; M419-I475 HydrophobicContact SD-CG2 4.15Å; M419-Q476 HydrophobicContact SD-CB 4.24Å; M419-Q476 HydrophobicContact SD-CG 3.79Å; M419-W479 HydrophobicContact CE-CB 3.61Å; M419-W479 HydrophobicContact CE-CG 4.45Å; M419-W479 HydrophobicContact CG-CB 4.31Å; M419-W479 HydrophobicContact CG-CG 4.17Å; M419-W479 HydrophobicContact SD-CB 3.92Å; M419-W479 HydrophobicContact SD-CG 4.3Å; M419-K481 HydrophobicContact CE-CB 3.78Å; M419-V496 HydrophobicContact CB-CG2 4.38Å; M419-L498 HydrophobicContact CB-CD1 3.94Å; M419-L498 HydrophobicContact CB-CD2 4.33Å; M419-L498 HydrophobicContact CE-CD2 3.85Å; M419-L498 HydrophobicContact CG-CD1 4.28Å; M419-F522 HydrophobicContact CB-CD2 3.92Å; M419-F522 HydrophobicContact CB-CE2 4.3Å; M419-F522 HydrophobicContact CG-CD2 4.43Å; M419-F522 HydrophobicContact CG-CE2 4.31Å
420	C	97.1	Very high	94.5	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-82.4	54.6	176.3	-165.8	0	0	0	0	109.7	I416 V496 F522 K524	I416-C420 HydrophobicContact CG2-CB 4.31Å; I416-C420 WeakPolarHBondContact O-CA 3.29Å; I416-C420 WeakPolarHBondContact O-CB 3.49Å; I416-C420 PolarHBondContact O-N 2.79Å; C420-V496 HydrophobicContact CB-CG1 4.45Å; C420-V496 HydrophobicContact CB-CG2 3.77Å; C420-F522 HydrophobicContact CB-CB 4.17Å; C420-K524 WeakPolarHBondContact O-CD 3.38Å; C420-K524 WeakPolarHBondContact O-CE 3.43Å; C420-K524 PolarHBondContact O-NZ 3.07Å
421	N	96.1	Very high	93.9	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.053	18%	0.176	C	C	.	.			trans	-150.4	142.2	-170.7	-157.7	-39.9	0	0	0	110.1	C417 M419 S423 E442 C446 K481	C417-N421 WeakPolarHBondContact O-CB 3.11Å; C417-N421 PolarHBondContact O-ND2 2.8Å; C417-N421 VanDerWaalsContact O-ND2 3.07Å; M419-N421 PolarHBondContact O-N 3.4Å; N421-S423 WeakPolarHBondContact OD1-CB 2.93Å; N421-S423 PolarHBondContact OD1-N 3.42Å; N421-E442 PolarHBondContact ND2-O 2.99Å; N421-E442 WeakPolarHBondContact OD1-CB 3.48Å; N421-E442 PolarHBondContact OD1-OE2 3.12Å; N421-C446 PolarHBondContact ND2-SG 3.48Å; N421-K481 PolarHBondContact O-NZ 3.48Å
422	D	93	Very high	93.6	Very high	93 Å²	93	39.1 Å²	39.1	50%	0.497	20%	0.202	S	C	.	.			trans	-121.4	6.8	177	-60.4	-36.6	0	0	0	111.9	E442 K481 M494	D422-E442 PolarHBondContact N-OE2 2.91Å; D422-E442 VanDerWaalsContact N-OE2 3.15Å; D422-K481 IonicContact OD1-NZ 3.2Å; D422-K481 PolarHBondContact OD1-NZ 3Å; D422-M494 WeakPolarHBondContact OD2-CE 3.46Å
423	S	94	Very high	93.3	Very high	12 Å²	12	41.5 Å²	41.5	8%	0.084	22%	0.218	C	C	.	.			trans	-106.9	168.3	179	-58.7	0	0	0	0	111.9	N421 V437 E439 E442 C446	N421-S423 WeakPolarHBondContact OD1-CB 2.93Å; N421-S423 PolarHBondContact OD1-N 3.42Å; S423-V437 CarbonylContact C-O 3.58Å; S423-V437 VanDerWaalsContact CA-O 3.22Å; S423-V437 WeakPolarHBondContact CA-O 3.38Å; S423-V437 WeakPolarHBondContact CB-O 3.34Å; S423-E439 PolarHBondContact OG-N 2.93Å; S423-E442 PolarHBondContact N-OE2 3.03Å; S423-E442 WeakPolarHBondContact OG-CB 3.36Å; S423-E442 PolarHBondContact OG-OE2 3.38Å; S423-C446 PolarHBondContact O-SG 3.28Å; S423-C446 VanDerWaalsContact O-SG 3.33Å
424	A	94.3	Very high	93.2	Very high	28 Å²	28	42.3 Å²	42.3	23%	0.231	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	174.5	178.9	0	0	0	0	0	111.7	V437 T443 M469	A424-V437 HydrophobicContact CB-CB 4.24Å; A424-V437 PolarHBondContact N-O 3.43Å; A424-V437 PolarHBondContact O-N 2.92Å; A424-T443 PolarHBondContact O-OG1 3.18Å; A424-M469 HydrophobicContact CB-CE 3.94Å; A424-M469 HydrophobicContact CB-SD 4.11Å
425	I	94.8	Very high	92.8	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.026	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	132	170.7	-59.2	164.8	0	0	0	107.3	Y434 T443 C446 C447 S468 M469	I425-Y434 HydrophobicContact CG2-CD1 3.76Å; I425-Y434 HydrophobicContact CG2-CG 4.3Å; I425-T443 HydrophobicContact CG1-CG2 3.66Å; I425-C446 HydrophobicContact CD1-CB 4.02Å; I425-C446 HydrophobicContact CG1-CB 4.15Å; I425-C447 HydrophobicContact CD1-CB 3.79Å; I425-S468 WeakPolarHBondContact O-CB 3.44Å; I425-M469 HydrophobicContact CB-SD 4.27Å; I425-M469 HydrophobicContact CG1-SD 4.49Å; I425-M469 PolarHBondContact N-SD 2.87Å
426	D	93.9	Very high	92.7	Very high	70 Å²	70	48.6 Å²	48.6	37%	0.374	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	148.3	172.7	-175.4	39.6	0	0	0	110.4	Y434 E435 V437	D426-Y434 CarbonylContact O-C 3.56Å; D426-Y434 WeakPolarHBondContact O-CA 3.47Å; D426-E435 PolarHBondContact N-O 2.7Å; D426-E435 PolarHBondContact O-N 3.28Å; D426-V437 HydrophobicContact CB-CG2 3.79Å
427	Y	94.2	Very high	92.4	Very high	23 Å²	23	52.2 Å²	52.2	9%	0.09	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	109.1	174.5	-178.3	-104	0	0	0	109.4	E429 H432 Y434 K464	Y427-E429 HydrophobicContact CD1-CG 4.01Å; Y427-E429 HydrophobicContact CE1-CG 4.16Å; Y427-E429 PolarHBondContact O-N 3.07Å; Y427-E429 VanDerWaalsContact O-N 3.13Å; Y427-H432 WeakPolarHBondContact OH-CA 3.4Å; Y427-Y434 AromaticContact CD2-CD1 3.92Å; Y427-Y434 HydrophobicContact CD2-CD1 3.92Å; Y427-Y434 HydrophobicContact CD2-CD2 4.07Å; Y427-Y434 AromaticContact CD2-CE1 3.73Å; Y427-Y434 HydrophobicContact CD2-CE1 3.73Å; Y427-Y434 AromaticContact CD2-CE2 3.9Å; Y427-Y434 HydrophobicContact CD2-CE2 3.9Å; Y427-Y434 HydrophobicContact CD2-CG 4.1Å; Y427-Y434 AromaticContact CD2-CZ 3.71Å; Y427-Y434 HydrophobicContact CE2-CE2 4.22Å; Y427-Y434 HydrophobicContact CG-CD1 4.48Å; Y427-Y434 HydrophobicContact CG-CE1 4.2Å; Y427-K464 HydrophobicContact CD1-CB 4.05Å; Y427-K464 HydrophobicContact CD2-CB 4.06Å; Y427-K464 HydrophobicContact CE1-CB 3.92Å; Y427-K464 HydrophobicContact CE1-CD 4.26Å; Y427-K464 HydrophobicContact CE2-CB 3.95Å; Y427-K464 HydrophobicContact CE2-CD 3.69Å; Y427-K464 HydrophobicContact CE2-CG 4.45Å; Y427-K464 HydrophobicContact CG-CB 4.11Å; Y427-K464 VanDerWaalsContact CZ-CD 3.49Å; Y427-K464 VanDerWaalsContact OH-CD 3.28Å; Y427-K464 WeakPolarHBondContact OH-CD 3.47Å
428	N	90.9	Very high	91.9	Very high	33 Å²	33	54.5 Å²	54.5	18%	0.176	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	103.8	177.1	-171.2	-45	0	0	0	109.5	T430 K431 H432 V433 E435	N428-T430 PolarHBondContact O-N 3.41Å; N428-T430 WeakPolarHBondContact OD1-CB 3.04Å; N428-T430 PolarHBondContact OD1-N 2.77Å; N428-K431 HydrophobicContact CB-CB 4.33Å; N428-K431 PolarHBondContact O-N 2.92Å; N428-K431 PolarHBondContact OD1-N 3.29Å; N428-H432 WeakPolarHBondContact O-CA 3.28Å; N428-H432 PolarHBondContact O-N 3.32Å; N428-V433 PolarHBondContact N-O 3.33Å; N428-V433 PolarHBondContact O-N 2.75Å; N428-E435 HydrophobicContact CB-CG 4.08Å; N428-E435 WeakPolarHBondContact CB-OE2 3.5Å; N428-E435 PolarHBondContact ND2-OE2 3.24Å
429	E	89.6	Confident	91.4	Very high	120 Å²	120	55.9 Å²	55.9	56%	0.561	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-29.7	-178.1	-71	-179.3	-176.9	0	0	113	Y427 H432	Y427-E429 HydrophobicContact CD1-CG 4.01Å; Y427-E429 HydrophobicContact CE1-CG 4.16Å; Y427-E429 PolarHBondContact O-N 3.07Å; Y427-E429 VanDerWaalsContact O-N 3.13Å; E429-H432 PolarHBondContact O-CE1 3.27Å; E429-H432 PolarHBondContact O-ND1 3Å
430	T	88.2	Confident	91	Very high	129 Å²	129	55.7 Å²	55.7	79%	0.791	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-42.6	179.6	-49	0	0	0	0	112	N428	N428-T430 PolarHBondContact O-N 3.41Å; N428-T430 WeakPolarHBondContact OD1-CB 3.04Å; N428-T430 PolarHBondContact OD1-N 2.77Å
431	K	82.5	Confident	90.6	Very high	132 Å²	132	56.2 Å²	56.2	57%	0.574	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-9.7	-179.8	-63.5	-177.5	-171.9	169.6	0	113.5	N428 V433 E435	N428-K431 HydrophobicContact CB-CB 4.33Å; N428-K431 PolarHBondContact O-N 2.92Å; N428-K431 PolarHBondContact OD1-N 3.29Å; K431-V433 HydrophobicContact CB-CG2 3.7Å; K431-V433 HydrophobicContact CD-CG2 4.41Å; K431-V433 PolarHBondContact O-N 3.3Å; K431-E435 WeakPolarHBondContact CD-OE1 3.35Å; K431-E435 IonicContact NZ-OE1 2.69Å; K431-E435 PolarHBondContact NZ-OE1 2.98Å
432	H	87.9	Confident	90.5	Very high	134 Å²	134	56.5 Å²	56.5	62%	0.62	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	34.2	-174.5	-57.8	-49.7	0	0	0	114.4	Y427 N428 E429	Y427-H432 WeakPolarHBondContact OH-CA 3.4Å; N428-H432 WeakPolarHBondContact O-CA 3.28Å; N428-H432 PolarHBondContact O-N 3.32Å; E429-H432 PolarHBondContact O-CE1 3.27Å; E429-H432 PolarHBondContact O-ND1 3Å
433	V	88.4	Confident	90.6	Very high	66 Å²	66	52 Å²	52	40%	0.4	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	154.9	179.8	-64.6	0	0	0	0	111.6	N428 K431 E435	N428-V433 PolarHBondContact N-O 3.33Å; N428-V433 PolarHBondContact O-N 2.75Å; K431-V433 HydrophobicContact CB-CG2 3.7Å; K431-V433 HydrophobicContact CD-CG2 4.41Å; K431-V433 PolarHBondContact O-N 3.3Å; V433-E435 HydrophobicContact CG2-CG 4.12Å
434	Y	92	Very high	90.6	Very high	19 Å²	19	51.5 Å²	51.5	8%	0.075	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	123.4	170.6	-67.6	-85.4	0	0	0	109.9	A390 P391 I425 D426 Y427 K464	A390-Y434 HydrophobicContact CB-CD2 3.62Å; A390-Y434 HydrophobicContact CB-CE2 4.11Å; A390-Y434 HydrophobicContact CB-CG 4.4Å; P391-Y434 HydrophobicContact CG-CE1 4.19Å; I425-Y434 HydrophobicContact CG2-CD1 3.76Å; I425-Y434 HydrophobicContact CG2-CG 4.3Å; D426-Y434 CarbonylContact O-C 3.56Å; D426-Y434 WeakPolarHBondContact O-CA 3.47Å; Y427-Y434 AromaticContact CD2-CD1 3.92Å; Y427-Y434 HydrophobicContact CD2-CD1 3.92Å; Y427-Y434 HydrophobicContact CD2-CD2 4.07Å; Y427-Y434 AromaticContact CD2-CE1 3.73Å; Y427-Y434 HydrophobicContact CD2-CE1 3.73Å; Y427-Y434 AromaticContact CD2-CE2 3.9Å; Y427-Y434 HydrophobicContact CD2-CE2 3.9Å; Y427-Y434 HydrophobicContact CD2-CG 4.1Å; Y427-Y434 AromaticContact CD2-CZ 3.71Å; Y427-Y434 HydrophobicContact CE2-CE2 4.22Å; Y427-Y434 HydrophobicContact CG-CD1 4.48Å; Y427-Y434 HydrophobicContact CG-CE1 4.2Å; Y434-K464 VanDerWaalsContact CE1-O 3.25Å; Y434-K464 WeakPolarHBondContact CE1-O 3.35Å; Y434-K464 WeakPolarHBondContact OH-CA 3.43Å; Y434-K464 WeakPolarHBondContact OH-CB 3.45Å; Y434-K464 PolarHBondContact OH-O 3.23Å
435	E	89.9	Confident	90.8	Very high	60 Å²	60	50.2 Å²	50.2	28%	0.28	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	152.9	179.9	-65.4	-172.4	142.6	0	0	110.5	D426 N428 K431 V433	D426-E435 PolarHBondContact N-O 2.7Å; D426-E435 PolarHBondContact O-N 3.28Å; N428-E435 HydrophobicContact CB-CG 4.08Å; N428-E435 WeakPolarHBondContact CB-OE2 3.5Å; N428-E435 PolarHBondContact ND2-OE2 3.24Å; K431-E435 WeakPolarHBondContact CD-OE1 3.35Å; K431-E435 IonicContact NZ-OE1 2.69Å; K431-E435 PolarHBondContact NZ-OE1 2.98Å; V433-E435 HydrophobicContact CG2-CG 4.12Å
436	K	91.7	Very high	90.8	Very high	76 Å²	76	50 Å²	50	33%	0.33	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	142.9	174.1	62	164.7	-173.6	150.9	0	110.6	Y389 A440 T443	Y389-K436 HydrophobicContact CD2-CB 4.22Å; Y389-K436 HydrophobicContact CE2-CB 3.86Å; Y389-K436 HydrophobicContact CE2-CD 4.38Å; Y389-K436 HydrophobicContact CE2-CG 4.14Å; K436-A440 HydrophobicContact CD-CB 4.19Å; K436-T443 HydrophobicContact CB-CG2 3.7Å; K436-T443 WeakPolarHBondContact CB-OG1 3.34Å
437	V	90.8	Very high	90.9	Very high	76 Å²	76	46.8 Å²	46.8	46%	0.461	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	110.7	163	-179	0	0	0	0	107.1	S423 A424 D426	S423-V437 CarbonylContact C-O 3.58Å; S423-V437 VanDerWaalsContact CA-O 3.22Å; S423-V437 WeakPolarHBondContact CA-O 3.38Å; S423-V437 WeakPolarHBondContact CB-O 3.34Å; A424-V437 HydrophobicContact CB-CB 4.24Å; A424-V437 PolarHBondContact N-O 3.43Å; A424-V437 PolarHBondContact O-N 2.92Å; D426-V437 HydrophobicContact CB-CG2 3.79Å
438	G	88	Confident	91.1	Very high	50 Å²	50	45.8 Å²	45.8	52%	0.515	25%	0.245	S	C	.	.	S	Bend	trans	100.7	-141	-176.3	0	0	0	0	0	114.1
439	E	85.4	Confident	91.4	Very high	30 Å²	30	44.3 Å²	44.3	14%	0.14	24%	0.237	C	C	.	.			trans	-86.4	133.6	-171.5	-68.3	-77.7	-167.3	0	0	111.4	R174 S186 S423 T441 E442 T443	R174-E439 WeakPolarHBondContact CD-OE1 3.36Å; R174-E439 IonicContact CZ-OE1 2.91Å; R174-E439 IonicContact NH1-OE1 3.02Å; R174-E439 PolarHBondContact NH1-OE1 3.33Å; S186-E439 WeakPolarHBondContact CB-OE1 3.48Å; S186-E439 VanDerWaalsContact OG-CD 3.32Å; S186-E439 PolarHBondContact OG-OE1 3.34Å; S186-E439 PolarHBondContact OG-OE2 3.06Å; S423-E439 PolarHBondContact OG-N 2.93Å; E439-T441 VanDerWaalsContact C-N 3.25Å; E439-T441 PolarHBondContact O-N 2.71Å; E439-E442 HydrophobicContact CB-CB 4.2Å; E439-E442 HydrophobicContact CB-CG 4.07Å; E439-E442 PolarHBondContact O-N 2.88Å; E439-T443 PolarHBondContact O-N 3.29Å; E439-T443 PolarHBondContact O-OG1 2.69Å
440	A	87.5	Confident	91.7	Very high	4 Å²	4	38.6 Å²	38.6	3%	0.033	21%	0.21	C	C	.	.	H	α-helix	trans	-55.6	-40.8	-178.7	0	0	0	0	0	112.6	V185 M361 Y389 K436 E442 A444	V185-A440 HydrophobicContact CG2-CB 4.48Å; M361-A440 HydrophobicContact CB-CB 4.01Å; Y389-A440 WeakPolarHBondContact OH-CB 3.46Å; K436-A440 HydrophobicContact CD-CB 4.19Å; A440-E442 VanDerWaalsContact C-N 3.28Å; A440-E442 PolarHBondContact O-N 3.21Å; A440-A444 WeakPolarHBondContact O-CB 3.31Å; A440-A444 PolarHBondContact O-N 2.94Å
441	T	89.4	Confident	92	Very high	11 Å²	11	33.3 Å²	33.3	7%	0.067	18%	0.176	C	C	.	.	H	α-helix	trans	-60.4	-37.1	177	-55.9	0	0	0	0	112.3	E439 R569 L571 M608	E439-T441 VanDerWaalsContact C-N 3.25Å; E439-T441 PolarHBondContact O-N 2.71Å; T441-R569 PolarHBondContact OG1-NH1 2.81Å; T441-L571 HydrophobicContact CG2-CD1 3.77Å; T441-M608 HydrophobicContact CG2-CE 4.11Å; T441-M608 HydrophobicContact CG2-SD 3.59Å; T441-M608 VanDerWaalsContact CG2-SD 3.59Å
442	E	93.9	Very high	92.7	Very high	15 Å²	15	27.4 Å²	27.4	7%	0.07	15%	0.151	C	C	.	.	H	α-helix	trans	-85	-38.1	-176.8	-67.4	-160.4	157.9	0	0	112.2	N421 D422 S423 E439 A440 A444 L445 C446 K524	N421-E442 PolarHBondContact ND2-O 2.99Å; N421-E442 WeakPolarHBondContact OD1-CB 3.48Å; N421-E442 PolarHBondContact OD1-OE2 3.12Å; D422-E442 PolarHBondContact N-OE2 2.91Å; D422-E442 VanDerWaalsContact N-OE2 3.15Å; S423-E442 PolarHBondContact N-OE2 3.03Å; S423-E442 WeakPolarHBondContact OG-CB 3.36Å; S423-E442 PolarHBondContact OG-OE2 3.38Å; E439-E442 HydrophobicContact CB-CB 4.2Å; E439-E442 HydrophobicContact CB-CG 4.07Å; E439-E442 PolarHBondContact O-N 2.88Å; A440-E442 VanDerWaalsContact C-N 3.28Å; A440-E442 PolarHBondContact O-N 3.21Å; E442-A444 PolarHBondContact O-N 3.03Å; E442-L445 WeakPolarHBondContact O-CA 3.34Å; E442-L445 WeakPolarHBondContact O-CB 3.49Å; E442-L445 PolarHBondContact O-N 3.36Å; E442-C446 PolarHBondContact O-N 3.31Å; E442-C446 VanDerWaalsContact O-N 3.09Å; E442-C446 PolarHBondContact O-SG 3.29Å; E442-K524 WeakPolarHBondContact OE1-CE 3.35Å; E442-K524 IonicContact OE1-NZ 2.97Å; E442-K524 PolarHBondContact OE1-NZ 3.47Å
443	T	95.1	Very high	93	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.1	-36.2	170.9	-54.8	0	0	0	0	111.4	Y389 A424 I425 K436 E439 L445 C446 C447	Y389-T443 HydrophobicContact CD1-CG2 3.59Å; Y389-T443 HydrophobicContact CE1-CG2 3.81Å; Y389-T443 HydrophobicContact CG-CG2 4.04Å; A424-T443 PolarHBondContact O-OG1 3.18Å; I425-T443 HydrophobicContact CG1-CG2 3.66Å; K436-T443 HydrophobicContact CB-CG2 3.7Å; K436-T443 WeakPolarHBondContact CB-OG1 3.34Å; E439-T443 PolarHBondContact O-N 3.29Å; E439-T443 PolarHBondContact O-OG1 2.69Å; T443-L445 PolarHBondContact O-N 2.84Å; T443-C446 WeakPolarHBondContact O-CB 3.3Å; T443-C446 PolarHBondContact O-N 3.08Å; T443-C446 VanDerWaalsContact O-N 3.17Å; T443-C447 WeakPolarHBondContact O-CB 3.27Å; T443-C447 PolarHBondContact O-N 3.14Å
444	A	94.8	Very high	93.3	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.008	12%	0.115	C	C	.	.	H	α-helix	trans	-57.9	-36.3	172.8	0	0	0	0	0	112.5	M361 V363 A440 E442 L448 M608	M361-A444 HydrophobicContact CB-CB 4.2Å; M361-A444 HydrophobicContact CG-CB 3.94Å; M361-A444 WeakPolarHBondContact O-CB 3.49Å; V363-A444 HydrophobicContact CG2-CB 4.27Å; A440-A444 WeakPolarHBondContact O-CB 3.31Å; A440-A444 PolarHBondContact O-N 2.94Å; E442-A444 PolarHBondContact O-N 3.03Å; A444-L448 WeakPolarHBondContact O-CB 3.43Å; A444-L448 PolarHBondContact O-N 3.44Å; A444-M608 HydrophobicContact CB-SD 4.22Å
445	L	96.9	Very high	93.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-72.6	-39.8	176.1	-56	179.2	0	0	0	111.7	V363 C417 E442 T443 C447 L448 V449 K524 L571 V606 M608	V363-L445 HydrophobicContact CG2-CD2 4.23Å; C417-L445 HydrophobicContact CB-CB 4.09Å; E442-L445 WeakPolarHBondContact O-CA 3.34Å; E442-L445 WeakPolarHBondContact O-CB 3.49Å; E442-L445 PolarHBondContact O-N 3.36Å; T443-L445 PolarHBondContact O-N 2.84Å; L445-C447 VanDerWaalsContact C-N 3.28Å; L445-C447 PolarHBondContact O-N 3.32Å; L445-L448 WeakPolarHBondContact O-CB 3.37Å; L445-L448 PolarHBondContact O-N 3.09Å; L445-V449 WeakPolarHBondContact O-CG2 3.44Å; L445-V449 PolarHBondContact O-N 2.98Å; L445-K524 HydrophobicContact CD1-CD 3.96Å; L445-L571 HydrophobicContact CD1-CD1 4.32Å; L445-V606 HydrophobicContact CD2-CG2 3.75Å; L445-M608 HydrophobicContact CD2-CE 3.73Å; L445-M608 HydrophobicContact CG-CE 4.39Å
446	C	96.5	Very high	93.5	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.007	14%	0.136	C	C	.	.	H	α-helix	trans	-57.9	-46	172.5	-59.4	0	0	0	0	110.2	N421 S423 I425 E442 T443 L448 V449 E450 M469 N472	N421-C446 PolarHBondContact ND2-SG 3.48Å; S423-C446 PolarHBondContact O-SG 3.28Å; S423-C446 VanDerWaalsContact O-SG 3.33Å; I425-C446 HydrophobicContact CD1-CB 4.02Å; I425-C446 HydrophobicContact CG1-CB 4.15Å; E442-C446 PolarHBondContact O-N 3.31Å; E442-C446 VanDerWaalsContact O-N 3.09Å; E442-C446 PolarHBondContact O-SG 3.29Å; T443-C446 WeakPolarHBondContact O-CB 3.3Å; T443-C446 PolarHBondContact O-N 3.08Å; T443-C446 VanDerWaalsContact O-N 3.17Å; C446-L448 PolarHBondContact O-N 3.43Å; C446-V449 WeakPolarHBondContact O-CB 3.47Å; C446-V449 PolarHBondContact O-N 3.34Å; C446-E450 PolarHBondContact O-N 3.47Å; C446-E450 VanDerWaalsContact O-N 3.15Å; C446-M469 HydrophobicContact CB-SD 4.24Å; C446-N472 PolarHBondContact O-ND2 3.17Å
447	C	95.7	Very high	93.5	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.02	13%	0.126	C	C	.	.	H	α-helix	trans	-63.7	-41.3	179.5	-168.8	0	0	0	0	111.5	Y389 A390 I425 T443 L445 V449 E450 K451	Y389-C447 PolarHBondContact O-SG 3.37Å; A390-C447 PolarHBondContact O-SG 3.25Å; A390-C447 VanDerWaalsContact O-SG 3.34Å; I425-C447 HydrophobicContact CD1-CB 3.79Å; T443-C447 WeakPolarHBondContact O-CB 3.27Å; T443-C447 PolarHBondContact O-N 3.14Å; L445-C447 VanDerWaalsContact C-N 3.28Å; L445-C447 PolarHBondContact O-N 3.32Å; C447-V449 VanDerWaalsContact C-N 3.33Å; C447-V449 PolarHBondContact O-N 3.48Å; C447-E450 PolarHBondContact O-N 3.03Å; C447-K451 WeakPolarHBondContact O-CG 3.5Å; C447-K451 PolarHBondContact O-N 3.26Å; C447-K451 WeakPolarHBondContact SG-CE 3.44Å
448	L	97	Very high	93.5	Very high	2 Å²	2	23 Å²	23	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-56.9	-45.8	173.5	175.3	68	0	0	0	111.7	V363 M366 I384 A444 L445 C446 E450 K451 M452 V606	V363-L448 HydrophobicContact CB-CB 4.26Å; V363-L448 HydrophobicContact CB-CD1 4.19Å; V363-L448 HydrophobicContact CB-CD2 4.35Å; V363-L448 HydrophobicContact CB-CG 4.49Å; V363-L448 HydrophobicContact CG1-CD1 4.03Å; V363-L448 HydrophobicContact CG1-CD2 4.05Å; V363-L448 HydrophobicContact CG1-CG 4.5Å; V363-L448 HydrophobicContact CG2-CB 4.08Å; V363-L448 HydrophobicContact CG2-CD2 4.17Å; M366-L448 HydrophobicContact SD-CD1 4.36Å; I384-L448 HydrophobicContact CD1-CD1 4.36Å; I384-L448 HydrophobicContact CG1-CD1 3.86Å; I384-L448 HydrophobicContact CG2-CD1 4.33Å; A444-L448 WeakPolarHBondContact O-CB 3.43Å; A444-L448 PolarHBondContact O-N 3.44Å; L445-L448 WeakPolarHBondContact O-CB 3.37Å; L445-L448 PolarHBondContact O-N 3.09Å; C446-L448 PolarHBondContact O-N 3.43Å; L448-E450 VanDerWaalsContact C-N 3.3Å; L448-E450 PolarHBondContact O-N 3.04Å; L448-K451 PolarHBondContact O-N 3.26Å; L448-K451 VanDerWaalsContact O-N 3.14Å; L448-M452 HydrophobicContact CD1-CG 3.97Å; L448-M452 HydrophobicContact CD1-SD 3.92Å; L448-M452 HydrophobicContact CD2-SD 4.09Å; L448-M452 HydrophobicContact CG-CG 4.2Å; L448-M452 HydrophobicContact CG-SD 3.67Å; L448-M452 VanDerWaalsContact O-CG 3.27Å; L448-M452 WeakPolarHBondContact O-CG 3.45Å; L448-M452 PolarHBondContact O-N 2.96Å; L448-V606 HydrophobicContact CD2-CG1 3.78Å
449	V	97.3	Very high	93.7	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.012	12%	0.119	C	C	.	.	H	α-helix	trans	-60.1	-42.2	178.9	170.2	0	0	0	0	111.2	A414 C417 A418 L445 C446 C447 M452 N453 C471 I475	A414-V449 HydrophobicContact CB-CG2 4.48Å; A414-V449 WeakPolarHBondContact O-CG2 3.43Å; C417-V449 HydrophobicContact CB-CG2 3.57Å; A418-V449 HydrophobicContact CB-CG1 4.26Å; A418-V449 HydrophobicContact CB-CG2 4.08Å; L445-V449 WeakPolarHBondContact O-CG2 3.44Å; L445-V449 PolarHBondContact O-N 2.98Å; C446-V449 WeakPolarHBondContact O-CB 3.47Å; C446-V449 PolarHBondContact O-N 3.34Å; C447-V449 VanDerWaalsContact C-N 3.33Å; C447-V449 PolarHBondContact O-N 3.48Å; V449-M452 PolarHBondContact O-N 3.41Å; V449-N453 PolarHBondContact O-N 3.31Å; V449-N453 VanDerWaalsContact O-N 3.13Å; V449-C471 HydrophobicContact CG1-CB 4.19Å; V449-I475 HydrophobicContact CG1-CD1 3.72Å
450	E	96.3	Very high	93.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-62.8	-41.5	175.1	-64	-53.9	139.1	0	0	112.1	P391 C446 C447 L448 K459 M469 V470 C471 N472	P391-E450 HydrophobicContact CB-CB 3.6Å; P391-E450 HydrophobicContact CB-CG 4.01Å; C446-E450 PolarHBondContact O-N 3.47Å; C446-E450 VanDerWaalsContact O-N 3.15Å; C447-E450 PolarHBondContact O-N 3.03Å; L448-E450 VanDerWaalsContact C-N 3.3Å; L448-E450 PolarHBondContact O-N 3.04Å; E450-K459 PolarHBondContact O-NZ 2.92Å; E450-K459 IonicContact OE2-NZ 3.59Å; E450-M469 VanDerWaalsContact OE1-CA 3.29Å; E450-M469 WeakPolarHBondContact OE1-CA 3.33Å; E450-V470 PolarHBondContact OE1-N 2.89Å; E450-V470 WeakPolarHBondContact OE2-CG1 3.07Å; E450-C471 PolarHBondContact OE1-N 3.16Å; E450-C471 VanDerWaalsContact OE2-CB 3.26Å; E450-C471 WeakPolarHBondContact OE2-CB 3.46Å; E450-C471 PolarHBondContact OE2-N 3.22Å; E450-C471 PolarHBondContact OE2-SG 2.89Å; E450-C471 VanDerWaalsContact OE2-SG 3.41Å; E450-N472 PolarHBondContact OE1-N 3.37Å; E450-N472 PolarHBondContact OE1-ND2 2.82Å
451	K	95.3	Very high	93.9	Very high	17 Å²	17	30.5 Å²	30.5	7%	0.074	19%	0.186	C	C	.	.	H	α-helix	trans	-68.5	-37.7	178.4	-68.3	173.6	-178	-178.4	0	112.8	I384 T385 G386 E392 C447 L448	I384-K451 HydrophobicContact CG2-CD 3.73Å; T385-K451 WeakPolarHBondContact O-CE 3.37Å; T385-K451 PolarHBondContact O-NZ 3.37Å; G386-K451 PolarHBondContact O-NZ 3.17Å; E392-K451 VanDerWaalsContact O-CE 3.27Å; E392-K451 WeakPolarHBondContact O-CE 3.37Å; C447-K451 WeakPolarHBondContact O-CG 3.5Å; C447-K451 PolarHBondContact O-N 3.26Å; C447-K451 WeakPolarHBondContact SG-CE 3.44Å; L448-K451 PolarHBondContact O-N 3.26Å; L448-K451 VanDerWaalsContact O-N 3.14Å
452	M	96.3	Very high	94	Very high	8 Å²	8	33 Å²	33	4%	0.039	20%	0.199	C	C	.	.	H	α-helix	trans	-70.1	-39.8	-179.7	-70.3	172.8	72.5	0	0	112.4	M366 V395 S404 L410 V413 A414 L448 V449 V454	M366-M452 HydrophobicContact CE-CE 4.1Å; M366-M452 HydrophobicContact CE-CG 4.4Å; M366-M452 HydrophobicContact CE-SD 4.32Å; M366-M452 HydrophobicContact SD-CE 4.24Å; M366-M452 HydrophobicContact SD-SD 4.17Å; V395-M452 HydrophobicContact CG2-CG 4.2Å; S404-M452 WeakPolarHBondContact CB-O 3.48Å; L410-M452 HydrophobicContact CB-CE 3.64Å; L410-M452 HydrophobicContact CD1-CE 4.44Å; L410-M452 HydrophobicContact CD2-CE 4.12Å; L410-M452 HydrophobicContact CG-CE 4.27Å; L410-M452 WeakPolarHBondContact O-CE 3.46Å; V413-M452 HydrophobicContact CG1-CE 4.33Å; A414-M452 HydrophobicContact CB-CE 4.08Å; A414-M452 HydrophobicContact CB-SD 4.28Å; L448-M452 HydrophobicContact CD1-CG 3.97Å; L448-M452 HydrophobicContact CD1-SD 3.92Å; L448-M452 HydrophobicContact CD2-SD 4.09Å; L448-M452 HydrophobicContact CG-CG 4.2Å; L448-M452 HydrophobicContact CG-SD 3.67Å; L448-M452 VanDerWaalsContact O-CG 3.27Å; L448-M452 WeakPolarHBondContact O-CG 3.45Å; L448-M452 PolarHBondContact O-N 2.96Å; V449-M452 PolarHBondContact O-N 3.41Å; M452-V454 VanDerWaalsContact C-N 3.28Å; M452-V454 HydrophobicContact CB-CG1 3.91Å; M452-V454 HydrophobicContact CE-CG1 3.81Å; M452-V454 PolarHBondContact O-N 3.24Å
453	N	95.5	Very high	93.9	Very high	38 Å²	38	34.9 Å²	34.9	20%	0.203	21%	0.213	C	C	.	.			trans	43.8	50.4	-178.6	-167.6	10.4	0	0	0	113.5	V449 Y455 K456 T457 C471	V449-N453 PolarHBondContact O-N 3.31Å; V449-N453 VanDerWaalsContact O-N 3.13Å; N453-Y455 PolarHBondContact O-N 3.43Å; N453-K456 PolarHBondContact O-N 2.75Å; N453-T457 PolarHBondContact ND2-O 3.02Å; N453-T457 VanDerWaalsContact OD1-CB 3.29Å; N453-T457 WeakPolarHBondContact OD1-CB 3.19Å; N453-T457 PolarHBondContact OD1-N 3.45Å; N453-T457 PolarHBondContact OD1-OG1 2.86Å; N453-T457 VanDerWaalsContact OD1-OG1 3.12Å; N453-C471 PolarHBondContact OD1-SG 3.39Å
454	V	94.7	Very high	93.7	Very high	12 Å²	12	40.2 Å²	40.2	7%	0.073	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.1	-168.9	-63.3	0	0	0	0	114.6	G405 V411 A414 M452	G405-V454 VanDerWaalsContact CA-O 3.25Å; G405-V454 WeakPolarHBondContact CA-O 3.18Å; V411-V454 HydrophobicContact CG1-CG2 4.33Å; V411-V454 HydrophobicContact CG2-CB 4.24Å; A414-V454 HydrophobicContact CB-CB 4.4Å; A414-V454 HydrophobicContact CB-CG1 3.73Å; A414-V454 HydrophobicContact CB-CG2 3.72Å; M452-V454 VanDerWaalsContact C-N 3.28Å; M452-V454 HydrophobicContact CB-CG1 3.91Å; M452-V454 HydrophobicContact CE-CG1 3.81Å; M452-V454 PolarHBondContact O-N 3.24Å
455	Y	92.8	Very high	93.6	Very high	52 Å²	52	45.3 Å²	45.3	20%	0.204	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	12.8	178.1	-66.2	-71.2	0	0	0	113.8	V411 N415 N453 T457 I475 M478	V411-Y455 HydrophobicContact CG1-CE1 4.05Å; V411-Y455 HydrophobicContact CG1-CE2 4.24Å; V411-Y455 VanDerWaalsContact CG1-OH 3.26Å; V411-Y455 WeakPolarHBondContact CG1-OH 3.26Å; N415-Y455 PolarHBondContact ND2-OH 2.79Å; N415-Y455 VanDerWaalsContact ND2-OH 3.08Å; N453-Y455 PolarHBondContact O-N 3.43Å; Y455-T457 PolarHBondContact O-N 3.28Å; Y455-I475 HydrophobicContact CD2-CG1 4.08Å; Y455-I475 HydrophobicContact CE2-CD1 4.38Å; Y455-I475 HydrophobicContact CE2-CG1 3.91Å; Y455-M478 HydrophobicContact CD2-CE 3.88Å; Y455-M478 HydrophobicContact CE1-CE 4.28Å; Y455-M478 HydrophobicContact CE1-SD 4.44Å; Y455-M478 HydrophobicContact CE2-CE 3.23Å; Y455-M478 HydrophobicContact CE2-SD 4.34Å; Y455-M478 VanDerWaalsContact CZ-CE 3.46Å
456	K	92.4	Very high	93.3	Very high	133 Å²	133	49.5 Å²	49.5	58%	0.578	28%	0.281	S	S	*	.			trans	51.5	43	179.7	-56.9	-175.4	179.6	-168.1	0	112.6	E403 N453 S458	E403-K456 IonicContact OE1-NZ 3.48Å; E403-K456 WeakPolarHBondContact OE2-CE 3.45Å; E403-K456 IonicContact OE2-NZ 3.93Å; E403-K456 PolarHBondContact OE2-NZ 2.95Å; N453-K456 PolarHBondContact O-N 2.75Å; K456-S458 PolarHBondContact O-N 2.88Å
457	T	91.5	Very high	93.1	Very high	21 Å²	21	51.3 Å²	51.3	13%	0.129	29%	0.29	C	S	.	.			trans	-56.4	130.5	175	-43.7	0	0	0	0	109.5	N453 Y455 K459 V470 Q474	N453-T457 PolarHBondContact ND2-O 3.02Å; N453-T457 VanDerWaalsContact OD1-CB 3.29Å; N453-T457 WeakPolarHBondContact OD1-CB 3.19Å; N453-T457 PolarHBondContact OD1-N 3.45Å; N453-T457 PolarHBondContact OD1-OG1 2.86Å; N453-T457 VanDerWaalsContact OD1-OG1 3.12Å; Y455-T457 PolarHBondContact O-N 3.28Å; T457-K459 PolarHBondContact O-N 2.97Å; T457-V470 HydrophobicContact CG2-CG2 3.86Å; T457-Q474 VanDerWaalsContact CB-OE1 3.24Å; T457-Q474 PolarHBondContact OG1-OE1 3.42Å
458	S	92.1	Very high	92.9	Very high	83 Å²	83	51.7 Å²	51.7	58%	0.58	29%	0.293	S	S	*	.			trans	-68.2	122.3	174.5	-174.6	0	0	0	0	109.7	K456 S460	K456-S458 PolarHBondContact O-N 2.88Å; S458-S460 PolarHBondContact OG-OG 2.86Å; S458-S460 VanDerWaalsContact OG-OG 3.08Å
459	K	90.6	Very high	92.8	Very high	56 Å²	56	52.1 Å²	52.1	24%	0.243	30%	0.296	C	S	.	.			trans	-101.5	-6.3	175.6	-65.9	-169.8	178.5	-169	0	112.8	E450 T457 L467 V470 C471	E450-K459 PolarHBondContact O-NZ 2.92Å; E450-K459 IonicContact OE2-NZ 3.59Å; T457-K459 PolarHBondContact O-N 2.97Å; K459-L467 HydrophobicContact CB-CD2 3.74Å; K459-L467 HydrophobicContact CD-CD2 4.15Å; K459-L467 HydrophobicContact CG-CD2 4.09Å; K459-V470 HydrophobicContact CG-CG1 4.18Å; K459-C471 VanDerWaalsContact CE-SG 3.5Å
460	S	88.3	Confident	92.7	Very high	98 Å²	98	53.2 Å²	53.2	69%	0.685	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	130.8	-175.5	61.2	0	0	0	0	111.6	S458 L462	S458-S460 PolarHBondContact OG-OG 2.86Å; S458-S460 VanDerWaalsContact OG-OG 3.08Å; S460-L462 VanDerWaalsContact C-N 3.3Å; S460-L462 PolarHBondContact O-N 3.15Å
461	G	88.6	Confident	92.7	Very high	88 Å²	88	53.5 Å²	53.5	91%	0.907	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	1.8	176.2	0	0	0	0	0	115
462	L	91.6	Very high	92.7	Very high	63 Å²	63	52.7 Å²	52.7	33%	0.33	30%	0.3	S	S	.	.			trans	-79.5	146.4	174.5	-65.6	-179.1	0	0	0	111.3	S460 D466 L467 V470	S460-L462 VanDerWaalsContact C-N 3.3Å; S460-L462 PolarHBondContact O-N 3.15Å; L462-D466 HydrophobicContact CB-CB 4.1Å; L462-D466 HydrophobicContact CD2-CB 4.25Å; L462-L467 HydrophobicContact CB-CD2 3.99Å; L462-L467 HydrophobicContact CB-CG 3.98Å; L462-L467 HydrophobicContact CD1-CD2 4.2Å; L462-V470 HydrophobicContact CD1-CB 4.16Å; L462-V470 HydrophobicContact CD1-CG1 4.31Å; L462-V470 HydrophobicContact CD1-CG2 3.71Å
463	S	93	Very high	92.7	Very high	54 Å²	54	57.4 Å²	57.4	38%	0.378	32%	0.322	S	S	.	.			trans	-68.8	160.5	172.2	75	0	0	0	0	110.7	K465 D466 L467	S463-K465 PolarHBondContact O-N 3.49Å; S463-K465 PolarHBondContact OG-N 3.08Å; S463-D466 WeakPolarHBondContact CB-OD2 3.33Å; S463-D466 PolarHBondContact N-OD2 2.8Å; S463-D466 PolarHBondContact O-N 3.5Å; S463-D466 VanDerWaalsContact O-N 3.07Å; S463-D466 PolarHBondContact OG-N 2.95Å; S463-D466 VanDerWaalsContact OG-N 3.13Å; S463-D466 PolarHBondContact OG-OD2 3.28Å; S463-L467 WeakPolarHBondContact O-CG 3.43Å; S463-L467 PolarHBondContact O-N 2.78Å
464	K	91.6	Very high	92.6	Very high	113 Å²	113	58.3 Å²	58.3	49%	0.491	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-34.9	174.1	-75.7	-171.8	175.4	-173.7	0	112.4	Y427 Y434	Y427-K464 HydrophobicContact CD1-CB 4.05Å; Y427-K464 HydrophobicContact CD2-CB 4.06Å; Y427-K464 HydrophobicContact CE1-CB 3.92Å; Y427-K464 HydrophobicContact CE1-CD 4.26Å; Y427-K464 HydrophobicContact CE2-CB 3.95Å; Y427-K464 HydrophobicContact CE2-CD 3.69Å; Y427-K464 HydrophobicContact CE2-CG 4.45Å; Y427-K464 HydrophobicContact CG-CB 4.11Å; Y427-K464 VanDerWaalsContact CZ-CD 3.49Å; Y427-K464 VanDerWaalsContact OH-CD 3.28Å; Y427-K464 WeakPolarHBondContact OH-CD 3.47Å; Y434-K464 VanDerWaalsContact CE1-O 3.25Å; Y434-K464 WeakPolarHBondContact CE1-O 3.35Å; Y434-K464 WeakPolarHBondContact OH-CA 3.43Å; Y434-K464 WeakPolarHBondContact OH-CB 3.45Å; Y434-K464 PolarHBondContact OH-O 3.23Å
465	K	91.9	Very high	92.6	Very high	107 Å²	107	57.9 Å²	57.9	47%	0.465	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-47.1	175.3	-173.2	177.1	-175.9	170.7	0	111.8	S463 L467 S468	S463-K465 PolarHBondContact O-N 3.49Å; S463-K465 PolarHBondContact OG-N 3.08Å; K465-L467 VanDerWaalsContact C-N 3.31Å; K465-L467 PolarHBondContact O-N 2.89Å; K465-S468 VanDerWaalsContact O-CB 3.27Å; K465-S468 WeakPolarHBondContact O-CB 3.44Å; K465-S468 PolarHBondContact O-N 2.86Å; K465-S468 PolarHBondContact O-OG 3.23Å
466	D	90.6	Very high	92.6	Very high	88 Å²	88	58.8 Å²	58.8	47%	0.471	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-68	-32.5	179.6	-58.8	-45.7	0	0	0	112.3	L462 S463 S468	L462-D466 HydrophobicContact CB-CB 4.1Å; L462-D466 HydrophobicContact CD2-CB 4.25Å; S463-D466 WeakPolarHBondContact CB-OD2 3.33Å; S463-D466 PolarHBondContact N-OD2 2.8Å; S463-D466 PolarHBondContact O-N 3.5Å; S463-D466 VanDerWaalsContact O-N 3.07Å; S463-D466 PolarHBondContact OG-N 2.95Å; S463-D466 VanDerWaalsContact OG-N 3.13Å; S463-D466 PolarHBondContact OG-OD2 3.28Å; D466-S468 PolarHBondContact O-N 3.41Å
467	L	93.1	Very high	92.7	Very high	39 Å²	39	54.5 Å²	54.5	20%	0.204	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-63.7	-18.7	176.3	-74.1	171.9	0	0	0	113.8	P391 K459 L462 S463 K465 M469	P391-L467 HydrophobicContact CG-CB 4.35Å; P391-L467 WeakPolarHBondContact CG-O 3.47Å; K459-L467 HydrophobicContact CB-CD2 3.74Å; K459-L467 HydrophobicContact CD-CD2 4.15Å; K459-L467 HydrophobicContact CG-CD2 4.09Å; L462-L467 HydrophobicContact CB-CD2 3.99Å; L462-L467 HydrophobicContact CB-CG 3.98Å; L462-L467 HydrophobicContact CD1-CD2 4.2Å; S463-L467 WeakPolarHBondContact O-CG 3.43Å; S463-L467 PolarHBondContact O-N 2.78Å; K465-L467 VanDerWaalsContact C-N 3.31Å; K465-L467 PolarHBondContact O-N 2.89Å; L467-M469 VanDerWaalsContact C-N 3.31Å; L467-M469 PolarHBondContact O-N 3.05Å
468	S	91.5	Very high	92.7	Very high	12 Å²	12	53.7 Å²	53.7	8%	0.084	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-59	-38.3	-175.7	61.1	0	0	0	0	113.8	I425 K465 D466	I425-S468 WeakPolarHBondContact O-CB 3.44Å; K465-S468 VanDerWaalsContact O-CB 3.27Å; K465-S468 WeakPolarHBondContact O-CB 3.44Å; K465-S468 PolarHBondContact O-N 2.86Å; K465-S468 PolarHBondContact O-OG 3.23Å; D466-S468 PolarHBondContact O-N 3.41Å
469	M	94.1	Very high	92.6	Very high	11 Å²	11	50.1 Å²	50.1	5%	0.054	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140	14.9	-167.9	-71.6	-69.6	-70.7	0	0	113.1	A424 I425 C446 E450 L467 C471 N472 H473	A424-M469 HydrophobicContact CB-CE 3.94Å; A424-M469 HydrophobicContact CB-SD 4.11Å; I425-M469 HydrophobicContact CB-SD 4.27Å; I425-M469 HydrophobicContact CG1-SD 4.49Å; I425-M469 PolarHBondContact N-SD 2.87Å; C446-M469 HydrophobicContact CB-SD 4.24Å; E450-M469 VanDerWaalsContact OE1-CA 3.29Å; E450-M469 WeakPolarHBondContact OE1-CA 3.33Å; L467-M469 VanDerWaalsContact C-N 3.31Å; L467-M469 PolarHBondContact O-N 3.05Å; M469-C471 PolarHBondContact O-N 3.4Å; M469-N472 HydrophobicContact CE-CB 3.74Å; M469-N472 PolarHBondContact O-N 3.29Å; M469-N472 HydrophobicContact SD-CB 4.25Å; M469-H473 WeakPolarHBondContact O-CB 3.22Å; M469-H473 PolarHBondContact O-N 3.3Å
470	V	95.7	Very high	92.7	Very high	25 Å²	25	50.9 Å²	50.9	15%	0.152	29%	0.293	C	S	.	.	H	α-helix	trans	-61	-44.7	-170.9	67.5	0	0	0	0	113.5	E450 T457 K459 L462 Q474	E450-V470 PolarHBondContact OE1-N 2.89Å; E450-V470 WeakPolarHBondContact OE2-CG1 3.07Å; T457-V470 HydrophobicContact CG2-CG2 3.86Å; K459-V470 HydrophobicContact CG-CG1 4.18Å; L462-V470 HydrophobicContact CD1-CB 4.16Å; L462-V470 HydrophobicContact CD1-CG1 4.31Å; L462-V470 HydrophobicContact CD1-CG2 3.71Å; V470-Q474 PolarHBondContact O-N 3.17Å
471	C	96	Very high	93	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.034	28%	0.275	C	S	.	.	H	α-helix	trans	-71.5	-38.8	178.4	-64.7	0	0	0	0	111.2	V449 E450 N453 K459 M469 Q474 I475	V449-C471 HydrophobicContact CG1-CB 4.19Å; E450-C471 PolarHBondContact OE1-N 3.16Å; E450-C471 VanDerWaalsContact OE2-CB 3.26Å; E450-C471 WeakPolarHBondContact OE2-CB 3.46Å; E450-C471 PolarHBondContact OE2-N 3.22Å; E450-C471 PolarHBondContact OE2-SG 2.89Å; E450-C471 VanDerWaalsContact OE2-SG 3.41Å; N453-C471 PolarHBondContact OD1-SG 3.39Å; K459-C471 VanDerWaalsContact CE-SG 3.5Å; M469-C471 PolarHBondContact O-N 3.4Å; C471-Q474 PolarHBondContact O-N 3.15Å; C471-I475 PolarHBondContact O-N 2.82Å; C471-I475 VanDerWaalsContact O-N 3.07Å
472	N	96	Very high	93.2	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-47	173.9	-78.1	-87.6	0	0	0	111.1	A418 C446 E450 M469 Q474 I475 Q476	A418-N472 WeakPolarHBondContact CB-OD1 3.34Å; C446-N472 PolarHBondContact O-ND2 3.17Å; E450-N472 PolarHBondContact OE1-N 3.37Å; E450-N472 PolarHBondContact OE1-ND2 2.82Å; M469-N472 HydrophobicContact CE-CB 3.74Å; M469-N472 PolarHBondContact O-N 3.29Å; M469-N472 HydrophobicContact SD-CB 4.25Å; N472-Q474 VanDerWaalsContact C-N 3.31Å; N472-Q474 PolarHBondContact O-N 2.84Å; N472-I475 PolarHBondContact O-N 3.21Å; N472-I475 VanDerWaalsContact O-N 3.09Å; N472-Q476 WeakPolarHBondContact O-CB 3.39Å; N472-Q476 VanDerWaalsContact O-CG 3.29Å; N472-Q476 WeakPolarHBondContact O-CG 3.49Å; N472-Q476 PolarHBondContact O-N 2.94Å
473	H	94.9	Very high	93.2	Very high	106 Å²	106	46.9 Å²	46.9	49%	0.491	24%	0.237	S	C	.	.	H	α-helix	trans	-61.1	-39.3	176.5	-72.7	167.1	0	0	0	111.9	M469 I475 Q476 A477	M469-H473 WeakPolarHBondContact O-CB 3.22Å; M469-H473 PolarHBondContact O-N 3.3Å; H473-I475 VanDerWaalsContact C-N 3.3Å; H473-I475 PolarHBondContact O-N 3.46Å; H473-Q476 PolarHBondContact CD2-OE1 2.86Å; H473-Q476 PolarHBondContact O-N 3.27Å; H473-A477 WeakPolarHBondContact O-CB 3.47Å; H473-A477 PolarHBondContact O-N 3.08Å
474	Q	93.9	Very high	93.3	Very high	58 Å²	58	46.4 Å²	46.4	27%	0.271	23%	0.232	S	C	.	.	H	α-helix	trans	-60.7	-41.6	173.8	178.1	168.7	-15.9	0	0	111.5	T457 V470 C471 N472 A477 M478	T457-Q474 VanDerWaalsContact CB-OE1 3.24Å; T457-Q474 PolarHBondContact OG1-OE1 3.42Å; V470-Q474 PolarHBondContact O-N 3.17Å; C471-Q474 PolarHBondContact O-N 3.15Å; N472-Q474 VanDerWaalsContact C-N 3.31Å; N472-Q474 PolarHBondContact O-N 2.84Å; Q474-A477 PolarHBondContact O-N 3.42Å; Q474-M478 WeakPolarHBondContact O-CG 3.33Å
475	I	94.2	Very high	93.3	Very high	2 Å²	2	41 Å²	41	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-66.3	-48.4	176.4	-68.4	175	0	0	0	111.3	A414 N415 A418 M419 V449 Y455 C471 N472 H473 A477 M478	A414-I475 HydrophobicContact CB-CD1 4.15Å; N415-I475 VanDerWaalsContact OD1-CG2 3.23Å; N415-I475 WeakPolarHBondContact OD1-CG2 3.47Å; A418-I475 HydrophobicContact CB-CB 3.98Å; A418-I475 HydrophobicContact CB-CD1 3.94Å; A418-I475 HydrophobicContact CB-CG2 3.71Å; M419-I475 HydrophobicContact CG-CG2 3.98Å; M419-I475 HydrophobicContact SD-CG2 4.15Å; V449-I475 HydrophobicContact CG1-CD1 3.72Å; Y455-I475 HydrophobicContact CD2-CG1 4.08Å; Y455-I475 HydrophobicContact CE2-CD1 4.38Å; Y455-I475 HydrophobicContact CE2-CG1 3.91Å; C471-I475 PolarHBondContact O-N 2.82Å; C471-I475 VanDerWaalsContact O-N 3.07Å; N472-I475 PolarHBondContact O-N 3.21Å; N472-I475 VanDerWaalsContact O-N 3.09Å; H473-I475 VanDerWaalsContact C-N 3.3Å; H473-I475 PolarHBondContact O-N 3.46Å; I475-A477 PolarHBondContact O-N 2.92Å; I475-M478 HydrophobicContact CB-CE 4.24Å; I475-M478 HydrophobicContact CG1-CE 4.02Å; I475-M478 HydrophobicContact CG2-CE 4.41Å; I475-M478 WeakPolarHBondContact O-CB 3.46Å; I475-M478 PolarHBondContact O-N 2.94Å
476	Q	94	Very high	93.1	Very high	72 Å²	72	39.7 Å²	39.7	34%	0.336	20%	0.204	S	C	.	.	H	α-helix	trans	-60.3	-29.8	177.7	-68.9	170.8	-3.3	0	0	112.5	M419 N472 H473 M478	M419-Q476 HydrophobicContact SD-CB 4.24Å; M419-Q476 HydrophobicContact SD-CG 3.79Å; N472-Q476 WeakPolarHBondContact O-CB 3.39Å; N472-Q476 VanDerWaalsContact O-CG 3.29Å; N472-Q476 WeakPolarHBondContact O-CG 3.49Å; N472-Q476 PolarHBondContact O-N 2.94Å; H473-Q476 PolarHBondContact CD2-OE1 2.86Å; H473-Q476 PolarHBondContact O-N 3.27Å; Q476-M478 VanDerWaalsContact C-N 3.25Å; Q476-M478 PolarHBondContact O-N 2.94Å
477	A	93	Very high	93	Very high	43 Å²	43	37.7 Å²	37.7	36%	0.355	19%	0.191	S	C	.	.	H	α-helix	trans	-64.5	-29	173.8	0	0	0	0	0	112.5	H473 Q474 I475 K501	H473-A477 WeakPolarHBondContact O-CB 3.47Å; H473-A477 PolarHBondContact O-N 3.08Å; Q474-A477 PolarHBondContact O-N 3.42Å; I475-A477 PolarHBondContact O-N 2.92Å; A477-K501 VanDerWaalsContact O-CD 3.31Å; A477-K501 WeakPolarHBondContact O-CD 3.41Å; A477-K501 PolarHBondContact O-NZ 3.47Å
478	M	91.3	Very high	92.4	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.015	18%	0.182	C	C	.	.	H	α-helix	trans	-81.7	-25.1	-178	-58.9	-172.9	-71	0	0	114.2	Y455 Q474 I475 Q476 K501 F504	Y455-M478 HydrophobicContact CD2-CE 3.88Å; Y455-M478 HydrophobicContact CE1-CE 4.28Å; Y455-M478 HydrophobicContact CE1-SD 4.44Å; Y455-M478 HydrophobicContact CE2-CE 3.23Å; Y455-M478 HydrophobicContact CE2-SD 4.34Å; Y455-M478 VanDerWaalsContact CZ-CE 3.46Å; Q474-M478 WeakPolarHBondContact O-CG 3.33Å; I475-M478 HydrophobicContact CB-CE 4.24Å; I475-M478 HydrophobicContact CG1-CE 4.02Å; I475-M478 HydrophobicContact CG2-CE 4.41Å; I475-M478 WeakPolarHBondContact O-CB 3.46Å; I475-M478 PolarHBondContact O-N 2.94Å; Q476-M478 VanDerWaalsContact C-N 3.25Å; Q476-M478 PolarHBondContact O-N 2.94Å; M478-K501 WeakPolarHBondContact O-CB 3.43Å; M478-K501 PolarHBondContact O-N 3.11Å; M478-F504 HydrophobicContact CB-CB 4.01Å; M478-F504 HydrophobicContact CB-CD2 4.46Å; M478-F504 HydrophobicContact CB-CG 4.1Å; M478-F504 HydrophobicContact CG-CB 4.09Å; M478-F504 HydrophobicContact CG-CD1 3.79Å; M478-F504 HydrophobicContact CG-CD2 4.46Å; M478-F504 HydrophobicContact CG-CE1 4.32Å; M478-F504 HydrophobicContact CG-CG 3.86Å
479	W	91.7	Very high	91.3	Very high	8 Å²	8	38.6 Å²	38.6	3%	0.03	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	146	-174.5	-63.8	96.1	0	0	0	111.6	N415 M419 L498 V500 K501 V508 R520 F522	N415-W479 PolarHBondContact OD1-NE1 3.37Å; M419-W479 HydrophobicContact CE-CB 3.61Å; M419-W479 HydrophobicContact CE-CG 4.45Å; M419-W479 HydrophobicContact CG-CB 4.31Å; M419-W479 HydrophobicContact CG-CG 4.17Å; M419-W479 HydrophobicContact SD-CB 3.92Å; M419-W479 HydrophobicContact SD-CG 4.3Å; W479-L498 HydrophobicContact CD2-CD1 4.41Å; W479-L498 HydrophobicContact CE3-CB 3.76Å; W479-L498 HydrophobicContact CE3-CD1 4.22Å; W479-L498 HydrophobicContact CZ3-CB 4.25Å; W479-V500 HydrophobicContact CD2-CG2 4.23Å; W479-V500 HydrophobicContact CE3-CB 4.4Å; W479-V500 HydrophobicContact CE3-CG2 3.89Å; W479-V500 HydrophobicContact CH2-CG2 3.81Å; W479-V500 HydrophobicContact CZ2-CG2 4.13Å; W479-V500 HydrophobicContact CZ3-CB 4.24Å; W479-V500 HydrophobicContact CZ3-CG2 3.69Å; W479-K501 WeakPolarHBondContact O-CE 3.17Å; W479-K501 PolarHBondContact O-NZ 3.47Å; W479-V508 HydrophobicContact CH2-CG1 3.69Å; W479-V508 HydrophobicContact CZ2-CB 4.4Å; W479-V508 HydrophobicContact CZ2-CG1 3.43Å; W479-V508 VanDerWaalsContact CZ2-CG1 3.43Å; W479-V508 HydrophobicContact CZ2-CG2 4.07Å; W479-R520 HydrophobicContact CH2-CB 4.49Å; W479-R520 HydrophobicContact CH2-CG 4.11Å; W479-R520 HydrophobicContact CZ3-CB 4.15Å; W479-R520 HydrophobicContact CZ3-CG 4Å; W479-F522 HydrophobicContact CH2-CE1 4.48Å; W479-F522 AromaticContact CH2-CZ 3.75Å; W479-F522 HydrophobicContact CH2-CZ 3.75Å; W479-F522 HydrophobicContact CZ2-CE2 4.12Å; W479-F522 AromaticContact CZ2-CZ 3.58Å; W479-F522 HydrophobicContact CZ2-CZ 3.58Å; W479-F522 HydrophobicContact CZ3-CZ 4.37Å
480	N	91.8	Very high	90.4	Very high	73 Å²	73	43 Å²	43	39%	0.39	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	111.2	162.9	-162	37.5	0	0	0	108.4	E482 L498 Q499 K501	N480-E482 PolarHBondContact ND2-OE1 3.29Å; N480-E482 PolarHBondContact O-N 3.28Å; N480-L498 VanDerWaalsContact O-CA 3.31Å; N480-L498 WeakPolarHBondContact O-CA 3.3Å; N480-Q499 PolarHBondContact N-O 3.29Å; N480-Q499 PolarHBondContact O-N 3.28Å; N480-K501 HydrophobicContact CB-CG 4.43Å
481	K	93.9	Very high	89.9	Confident	68 Å²	68	42.1 Å²	42.1	30%	0.296	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	103.6	173.4	-178.6	174.1	171.7	177.7	0	108	M419 N421 D422 T484 V496 L498	M419-K481 HydrophobicContact CE-CB 3.78Å; N421-K481 PolarHBondContact O-NZ 3.48Å; D422-K481 IonicContact OD1-NZ 3.2Å; D422-K481 PolarHBondContact OD1-NZ 3Å; K481-T484 WeakPolarHBondContact CE-OG1 3.45Å; K481-T484 PolarHBondContact NZ-OG1 3.48Å; K481-V496 HydrophobicContact CD-CG1 4.28Å; K481-V496 HydrophobicContact CG-CB 4.5Å; K481-L498 HydrophobicContact CB-CD2 3.89Å; K481-L498 HydrophobicContact CG-CD2 4.02Å
482	E	93.1	Very high	89.6	Confident	63 Å²	63	46.3 Å²	46.3	29%	0.294	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	-47.1	-177.4	-66.6	-84.6	137	0	0	110.7	N480 Y497 K582	N480-E482 PolarHBondContact ND2-OE1 3.29Å; N480-E482 PolarHBondContact O-N 3.28Å; E482-Y497 HydrophobicContact CB-CD1 4.14Å; E482-Y497 HydrophobicContact CG-CD1 4.12Å; E482-Y497 PolarHBondContact N-O 3.36Å; E482-K582 IonicContact OE2-NZ 3.19Å; E482-K582 PolarHBondContact OE2-NZ 2.75Å
483	F	92.8	Very high	89.4	Confident	34 Å²	34	46.2 Å²	46.2	15%	0.149	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	163.1	177.4	53	-93.5	0	0	0	111.5	L485 Y497 K582 M585 L587	F483-L485 HydrophobicContact CD2-CD2 3.99Å; F483-L485 HydrophobicContact CE2-CD2 3.93Å; F483-L485 HydrophobicContact CE2-CG 4.44Å; F483-Y497 HydrophobicContact CE1-CD1 4.02Å; F483-Y497 HydrophobicContact CE1-CD2 4.45Å; F483-Y497 AromaticContact CE1-CG 3.85Å; F483-Y497 HydrophobicContact CE1-CG 3.85Å; F483-Y497 HydrophobicContact CE2-CD2 4.35Å; F483-Y497 HydrophobicContact CE2-CG 4.06Å; F483-Y497 HydrophobicContact CZ-CD1 4.12Å; F483-Y497 AromaticContact CZ-CD2 3.75Å; F483-Y497 HydrophobicContact CZ-CD2 3.75Å; F483-Y497 AromaticContact CZ-CG 3.48Å; F483-Y497 HydrophobicContact CZ-CG 3.48Å; F483-Y497 VanDerWaalsContact CZ-CG 3.48Å; F483-Y497 PolarHBondContact O-N 3.2Å; F483-K582 HydrophobicContact CE1-CB 3.94Å; F483-K582 HydrophobicContact CZ-CB 4.31Å; F483-M585 HydrophobicContact CE2-CE 4.48Å; F483-M585 HydrophobicContact CE2-SD 4.21Å; F483-M585 HydrophobicContact CZ-SD 3.74Å; F483-L587 HydrophobicContact CB-CD1 4.46Å; F483-L587 HydrophobicContact CD1-CD1 4.02Å; F483-L587 HydrophobicContact CD2-CD1 4.22Å; F483-L587 HydrophobicContact CD2-CD2 3.79Å; F483-L587 HydrophobicContact CE1-CD1 4.31Å; F483-L587 HydrophobicContact CE2-CD1 4.48Å; F483-L587 HydrophobicContact CE2-CD2 3.56Å; F483-L587 HydrophobicContact CG-CD1 3.98Å; F483-L587 HydrophobicContact CG-CD2 4.39Å; F483-L587 HydrophobicContact CZ-CD2 3.99Å
484	T	93.5	Very high	89.4	Confident	43 Å²	43	41.5 Å²	41.5	26%	0.264	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.1	173	-55	0	0	0	0	108.9	K481 E486 M494 S495 V496	K481-T484 WeakPolarHBondContact CE-OG1 3.45Å; K481-T484 PolarHBondContact NZ-OG1 3.48Å; T484-E486 PolarHBondContact O-N 3.48Å; T484-M494 HydrophobicContact CG2-CE 4.49Å; T484-M494 HydrophobicContact CG2-CG 4Å; T484-M494 HydrophobicContact CG2-SD 4.31Å; T484-S495 CarbonylContact C-O 3.58Å; T484-S495 WeakPolarHBondContact CA-O 3.31Å; T484-S495 WeakPolarHBondContact CG2-O 3.23Å; T484-V496 HydrophobicContact CG2-CG1 3.94Å
485	L	92.6	Very high	89.5	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	97.1	159.2	-55.4	-171.5	0	0	0	106.8	F483 R491 S495 M521 M585 L587 F593 Y596	F483-L485 HydrophobicContact CD2-CD2 3.99Å; F483-L485 HydrophobicContact CE2-CD2 3.93Å; F483-L485 HydrophobicContact CE2-CG 4.44Å; L485-R491 PolarHBondContact O-NH2 2.83Å; L485-S495 WeakPolarHBondContact CB-OG 3.37Å; L485-S495 WeakPolarHBondContact CD1-OG 3.25Å; L485-S495 PolarHBondContact N-O 2.89Å; L485-S495 PolarHBondContact O-N 3.44Å; L485-S495 VanDerWaalsContact O-N 3.1Å; L485-M521 HydrophobicContact CD1-SD 4.24Å; L485-M585 HydrophobicContact CD1-CE 4.31Å; L485-L587 HydrophobicContact CD2-CD2 3.86Å; L485-F593 HydrophobicContact CB-CB 4.43Å; L485-F593 HydrophobicContact CB-CD2 3.84Å; L485-F593 HydrophobicContact CB-CE2 4.24Å; L485-F593 HydrophobicContact CB-CG 4.08Å; L485-F593 HydrophobicContact CD1-CB 4.18Å; L485-F593 HydrophobicContact CD1-CD1 4.4Å; L485-F593 HydrophobicContact CD1-CG 4.22Å; L485-F593 HydrophobicContact CD2-CD1 3.94Å; L485-F593 HydrophobicContact CD2-CD2 4.37Å; L485-F593 HydrophobicContact CD2-CE1 3.91Å; L485-F593 HydrophobicContact CD2-CE2 4.34Å; L485-F593 HydrophobicContact CD2-CG 4.19Å; L485-F593 HydrophobicContact CD2-CZ 4.11Å; L485-F593 HydrophobicContact CG-CG 4.4Å; L485-Y596 HydrophobicContact CD1-CD2 3.96Å
486	E	87.7	Confident	89.6	Confident	79 Å²	79	38.7 Å²	38.7	37%	0.369	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55	154	-175	65.2	-179.5	146	0	0	111.8	T171 T484 S488 R491 F593	T171-E486 WeakPolarHBondContact CB-OE1 3.5Å; T171-E486 HydrophobicContact CG2-CG 3.97Å; T171-E486 PolarHBondContact OG1-OE1 3.44Å; T484-E486 PolarHBondContact O-N 3.48Å; E486-S488 PolarHBondContact O-N 2.88Å; E486-R491 PolarHBondContact O-NH1 2.94Å; E486-R491 PolarHBondContact O-NH2 3.45Å; E486-F593 HydrophobicContact CG-CE2 4.18Å
487	F	88.8	Confident	89.7	Confident	45 Å²	45	35.5 Å²	35.5	20%	0.197	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	125.2	177.9	179.9	-83.8	0	0	0	110.6	T172 R174 I188 K492 S493 M494	T172-F487 WeakPolarHBondContact CG2-O 3.42Å; R174-F487 VanDerWaalsContact NH2-CB 3.35Å; I188-F487 HydrophobicContact CD1-CD1 3.8Å; I188-F487 HydrophobicContact CD1-CE1 3.23Å; I188-F487 HydrophobicContact CD1-CZ 4.04Å; F487-K492 HydrophobicContact CE2-CB 4.44Å; F487-K492 HydrophobicContact CZ-CB 4.31Å; F487-S493 WeakPolarHBondContact CA-O 3.27Å; F487-M494 HydrophobicContact CB-CB 4.25Å; F487-M494 HydrophobicContact CB-CE 4.47Å
488	S	80	Confident	89.8	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.014	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	152.2	168.2	78.6	0	0	0	0	111	E486 D490 R491 K492	E486-S488 PolarHBondContact O-N 2.88Å; S488-D490 WeakPolarHBondContact CB-OD1 3.44Å; S488-D490 PolarHBondContact OG-OD1 3.1Å; S488-R491 VanDerWaalsContact N-NH1 3.1Å; S488-R491 WeakPolarHBondContact OG-CG 3.35Å; S488-R491 PolarHBondContact OG-NH1 2.83Å; S488-K492 WeakPolarHBondContact O-CA 3.16Å; S488-K492 PolarHBondContact O-N 3.2Å
489	R	68.7	Low	89.7	Confident	69 Å²	69	37 Å²	37	26%	0.26	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-38	-170.8	-70.8	174.2	-82.5	164.3	7.5	113.1	T172 I188 K189 F190 R491 K492	T172-R489 HydrophobicContact CG2-CG 4.26Å; I188-R489 HydrophobicContact CD1-CG 4.48Å; I188-R489 VanDerWaalsContact CG2-CD 3.49Å; I188-R489 HydrophobicContact CG2-CG 3.65Å; K189-R489 PolarHBondContact O-NH1 3.2Å; F190-R489 HydrophobicContact CE1-CB 4.36Å; F190-R489 HydrophobicContact CE1-CG 4.26Å; F190-R489 VanDerWaalsContact CG-NH1 3.28Å; F190-R489 VanDerWaalsContact CZ-CD 3.49Å; F190-R489 HydrophobicContact CZ-CG 4.2Å; R489-R491 VanDerWaalsContact C-N 3.31Å; R489-R491 PolarHBondContact O-N 3.27Å; R489-K492 WeakPolarHBondContact O-CG 3.47Å
490	D	75.5	Confident	89.5	Confident	102 Å²	102	37.7 Å²	37.7	55%	0.545	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-39.3	-179.1	54.7	-60.5	0	0	0	112	S488	S488-D490 WeakPolarHBondContact CB-OD1 3.44Å; S488-D490 PolarHBondContact OG-OD1 3.1Å
491	R	85.8	Confident	89.4	Confident	7 Å²	7	37.8 Å²	37.8	3%	0.026	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-12.4	-179.1	72.4	-169.9	-153.7	-84	2.6	115	L485 E486 S488 R489 S493 R533 V594 E597	L485-R491 PolarHBondContact O-NH2 2.83Å; E486-R491 PolarHBondContact O-NH1 2.94Å; E486-R491 PolarHBondContact O-NH2 3.45Å; S488-R491 VanDerWaalsContact N-NH1 3.1Å; S488-R491 WeakPolarHBondContact OG-CG 3.35Å; S488-R491 PolarHBondContact OG-NH1 2.83Å; R489-R491 VanDerWaalsContact C-N 3.31Å; R489-R491 PolarHBondContact O-N 3.27Å; R491-S493 WeakPolarHBondContact CG-OG 3.28Å; R491-S493 PolarHBondContact NE-O 3.42Å; R491-S493 PolarHBondContact NH2-O 3.05Å; R491-S493 PolarHBondContact O-N 3.11Å; R491-S493 VanDerWaalsContact O-N 3.13Å; R491-S493 PolarHBondContact O-OG 3.1Å; R491-R533 PolarHBondContact O-NH2 2.92Å; R491-R533 VanDerWaalsContact O-NH2 3.11Å; R491-V594 HydrophobicContact CB-CB 4.12Å; R491-V594 HydrophobicContact CB-CG2 3.99Å; R491-E597 WeakPolarHBondContact CD-OE2 3.33Å; R491-E597 IonicContact CZ-OE1 2.58Å; R491-E597 IonicContact CZ-OE2 2.96Å; R491-E597 IonicContact NE-OE1 3.65Å; R491-E597 PolarHBondContact NE-OE1 3.1Å; R491-E597 IonicContact NE-OE2 3.9Å; R491-E597 PolarHBondContact NE-OE2 3.17Å; R491-E597 IonicContact NH2-OE1 3.9Å; R491-E597 PolarHBondContact NH2-OE1 3.42Å
492	K	88	Confident	88.9	Confident	93 Å²	93	40.3 Å²	40.3	40%	0.404	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	36.6	-178.3	-56.4	-179.2	-173	166.4	0	113.9	F487 S488 R489 G525 A526 E528	F487-K492 HydrophobicContact CE2-CB 4.44Å; F487-K492 HydrophobicContact CZ-CB 4.31Å; S488-K492 WeakPolarHBondContact O-CA 3.16Å; S488-K492 PolarHBondContact O-N 3.2Å; R489-K492 WeakPolarHBondContact O-CG 3.47Å; K492-G525 VanDerWaalsContact O-CA 3.29Å; K492-G525 WeakPolarHBondContact O-CA 3.36Å; K492-A526 HydrophobicContact CB-CB 3.75Å; K492-A526 HydrophobicContact CD-CB 4.02Å; K492-A526 PolarHBondContact O-N 3.39Å; K492-E528 IonicContact NZ-OE1 3.41Å; K492-E528 PolarHBondContact NZ-OE1 3.35Å
493	S	92.6	Very high	88.4	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	159.6	178.9	53.2	0	0	0	0	111.1	F487 R491 K524 R533 E597	F487-S493 WeakPolarHBondContact CA-O 3.27Å; R491-S493 WeakPolarHBondContact CG-OG 3.28Å; R491-S493 PolarHBondContact NE-O 3.42Å; R491-S493 PolarHBondContact NH2-O 3.05Å; R491-S493 PolarHBondContact O-N 3.11Å; R491-S493 VanDerWaalsContact O-N 3.13Å; R491-S493 PolarHBondContact O-OG 3.1Å; S493-K524 CarbonylContact C-O 3.52Å; S493-K524 VanDerWaalsContact CA-O 3.27Å; S493-K524 WeakPolarHBondContact CA-O 3.35Å; S493-K524 WeakPolarHBondContact CB-O 3.37Å; S493-R533 PolarHBondContact OG-NH1 3.47Å; S493-R533 PolarHBondContact OG-NH2 3.39Å; S493-E597 PolarHBondContact OG-OE2 2.87Å
494	M	94.3	Very high	87.9	Confident	7 Å²	7	42.5 Å²	42.5	3%	0.034	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	148.3	170.7	171.2	-169.8	-85.1	0	0	107.3	D422 T484 F487 V523 K524	D422-M494 WeakPolarHBondContact OD2-CE 3.46Å; T484-M494 HydrophobicContact CG2-CE 4.49Å; T484-M494 HydrophobicContact CG2-CG 4Å; T484-M494 HydrophobicContact CG2-SD 4.31Å; F487-M494 HydrophobicContact CB-CB 4.25Å; F487-M494 HydrophobicContact CB-CE 4.47Å; M494-V523 WeakPolarHBondContact O-CA 3.46Å; M494-K524 HydrophobicContact CB-CG 4.41Å; M494-K524 PolarHBondContact N-O 3.12Å; M494-K524 PolarHBondContact O-N 3.37Å; M494-K524 VanDerWaalsContact SD-CE 3.54Å
495	S	96.6	Very high	87.1	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	162.1	171.6	65.5	0	0	0	0	112.8	T484 L485 F522 E597	T484-S495 CarbonylContact C-O 3.58Å; T484-S495 WeakPolarHBondContact CA-O 3.31Å; T484-S495 WeakPolarHBondContact CG2-O 3.23Å; L485-S495 WeakPolarHBondContact CB-OG 3.37Å; L485-S495 WeakPolarHBondContact CD1-OG 3.25Å; L485-S495 PolarHBondContact N-O 2.89Å; L485-S495 PolarHBondContact O-N 3.44Å; L485-S495 VanDerWaalsContact O-N 3.1Å; S495-F522 CarbonylContact C-O 3.53Å; S495-F522 WeakPolarHBondContact CA-O 3.21Å; S495-F522 VanDerWaalsContact CB-O 3.22Å; S495-F522 WeakPolarHBondContact CB-O 3.42Å; S495-E597 VanDerWaalsContact CB-OE1 3.25Å; S495-E597 WeakPolarHBondContact CB-OE1 3.41Å; S495-E597 WeakPolarHBondContact OG-CG 3.28Å; S495-E597 PolarHBondContact OG-OE1 3.03Å
496	V	96.7	Very high	86.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	133.9	178.9	-67.8	0	0	0	0	109.7	M419 C420 K481 T484 L498 M521 F522	M419-V496 HydrophobicContact CB-CG2 4.38Å; C420-V496 HydrophobicContact CB-CG1 4.45Å; C420-V496 HydrophobicContact CB-CG2 3.77Å; K481-V496 HydrophobicContact CD-CG1 4.28Å; K481-V496 HydrophobicContact CG-CB 4.5Å; T484-V496 HydrophobicContact CG2-CG1 3.94Å; V496-L498 HydrophobicContact CB-CD2 3.88Å; V496-L498 HydrophobicContact CB-CG 4.42Å; V496-L498 HydrophobicContact CG2-CD1 3.98Å; V496-L498 HydrophobicContact CG2-CD2 3.66Å; V496-L498 HydrophobicContact CG2-CG 3.92Å; V496-M521 CarbonylContact O-C 3.57Å; V496-M521 WeakPolarHBondContact O-CA 3.36Å; V496-M521 WeakPolarHBondContact O-CG 3.31Å; V496-F522 HydrophobicContact CG2-CB 3.88Å; V496-F522 PolarHBondContact N-O 2.95Å; V496-F522 PolarHBondContact O-N 2.85Å
497	Y	95.8	Very high	85.4	Confident	5 Å²	5	49.8 Å²	49.8	2%	0.02	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125	175.9	-169.4	-77.8	0	0	0	109.6	E482 F483 P519 M521 P579 V580 M585	E482-Y497 HydrophobicContact CB-CD1 4.14Å; E482-Y497 HydrophobicContact CG-CD1 4.12Å; E482-Y497 PolarHBondContact N-O 3.36Å; F483-Y497 HydrophobicContact CE1-CD1 4.02Å; F483-Y497 HydrophobicContact CE1-CD2 4.45Å; F483-Y497 AromaticContact CE1-CG 3.85Å; F483-Y497 HydrophobicContact CE1-CG 3.85Å; F483-Y497 HydrophobicContact CE2-CD2 4.35Å; F483-Y497 HydrophobicContact CE2-CG 4.06Å; F483-Y497 HydrophobicContact CZ-CD1 4.12Å; F483-Y497 AromaticContact CZ-CD2 3.75Å; F483-Y497 HydrophobicContact CZ-CD2 3.75Å; F483-Y497 AromaticContact CZ-CG 3.48Å; F483-Y497 HydrophobicContact CZ-CG 3.48Å; F483-Y497 VanDerWaalsContact CZ-CG 3.48Å; F483-Y497 PolarHBondContact O-N 3.2Å; Y497-P519 HydrophobicContact CE1-CB 3.59Å; Y497-P519 HydrophobicContact CE2-CB 4.24Å; Y497-P519 VanDerWaalsContact CZ-CB 3.4Å; Y497-P519 WeakPolarHBondContact OH-CB 3.31Å; Y497-P519 WeakPolarHBondContact OH-CG 3.31Å; Y497-M521 HydrophobicContact CD2-CE 4.06Å; Y497-P579 HydrophobicContact CD2-CB 4.21Å; Y497-P579 HydrophobicContact CD2-CG 4.25Å; Y497-P579 HydrophobicContact CE2-CB 3.83Å; Y497-P579 HydrophobicContact CE2-CG 3.68Å; Y497-V580 WeakPolarHBondContact CE2-O 3.47Å; Y497-M585 HydrophobicContact CD2-SD 4.09Å; Y497-M585 HydrophobicContact CE2-SD 4.19Å
498	L	94	Very high	84.5	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.2	-167	-45.9	173.2	0	0	0	111.1	M419 W479 N480 K481 V496 P519 R520 F522	M419-L498 HydrophobicContact CB-CD1 3.94Å; M419-L498 HydrophobicContact CB-CD2 4.33Å; M419-L498 HydrophobicContact CE-CD2 3.85Å; M419-L498 HydrophobicContact CG-CD1 4.28Å; W479-L498 HydrophobicContact CD2-CD1 4.41Å; W479-L498 HydrophobicContact CE3-CB 3.76Å; W479-L498 HydrophobicContact CE3-CD1 4.22Å; W479-L498 HydrophobicContact CZ3-CB 4.25Å; N480-L498 VanDerWaalsContact O-CA 3.31Å; N480-L498 WeakPolarHBondContact O-CA 3.3Å; K481-L498 HydrophobicContact CB-CD2 3.89Å; K481-L498 HydrophobicContact CG-CD2 4.02Å; V496-L498 HydrophobicContact CB-CD2 3.88Å; V496-L498 HydrophobicContact CB-CG 4.42Å; V496-L498 HydrophobicContact CG2-CD1 3.98Å; V496-L498 HydrophobicContact CG2-CD2 3.66Å; V496-L498 HydrophobicContact CG2-CG 3.92Å; L498-P519 CarbonylContact O-C 3.55Å; L498-P519 VanDerWaalsContact O-CA 3.29Å; L498-P519 WeakPolarHBondContact O-CA 3.37Å; L498-R520 PolarHBondContact N-O 2.92Å; L498-R520 PolarHBondContact O-N 3.49Å; L498-F522 HydrophobicContact CD1-CB 4.23Å; L498-F522 HydrophobicContact CD1-CD1 4.29Å; L498-F522 HydrophobicContact CD1-CD2 3.1Å; L498-F522 HydrophobicContact CD1-CE1 4.45Å; L498-F522 HydrophobicContact CD1-CE2 3.28Å; L498-F522 HydrophobicContact CD1-CG 3.63Å; L498-F522 HydrophobicContact CD1-CZ 3.99Å
499	Q	90.4	Very high	83.8	Confident	79 Å²	79	50 Å²	50	37%	0.369	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	140.2	162.2	-78.2	-177.5	-10.8	0	0	110.1	N480 K501 P519	N480-Q499 PolarHBondContact N-O 3.29Å; N480-Q499 PolarHBondContact O-N 3.28Å; Q499-K501 PolarHBondContact O-N 3.28Å; Q499-P519 HydrophobicContact CG-CB 3.96Å
500	V	88.1	Confident	83.7	Confident	22 Å²	22	50.4 Å²	50.4	13%	0.133	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	133.5	171.3	125.8	0	0	0	0	108.6	W479 A505 V508 T517	W479-V500 HydrophobicContact CD2-CG2 4.23Å; W479-V500 HydrophobicContact CE3-CB 4.4Å; W479-V500 HydrophobicContact CE3-CG2 3.89Å; W479-V500 HydrophobicContact CH2-CG2 3.81Å; W479-V500 HydrophobicContact CZ2-CG2 4.13Å; W479-V500 HydrophobicContact CZ3-CB 4.24Å; W479-V500 HydrophobicContact CZ3-CG2 3.69Å; V500-A505 HydrophobicContact CG1-CB 3.93Å; V500-V508 HydrophobicContact CG2-CB 3.74Å; V500-V508 HydrophobicContact CG2-CG1 3.93Å; V500-V508 HydrophobicContact CG2-CG2 3.48Å; V500-V508 VanDerWaalsContact CG2-CG2 3.48Å; V500-T517 HydrophobicContact CG1-CG2 4.38Å
501	K	88.5	Confident	83.2	Confident	75 Å²	75	45.9 Å²	45.9	33%	0.326	26%	0.26	S	S	.	.			trans	-71.2	136.7	172.4	-68.3	-173.4	-164.1	149.3	0	109.1	A477 M478 W479 N480 Q499 A503 F504 A505	A477-K501 VanDerWaalsContact O-CD 3.31Å; A477-K501 WeakPolarHBondContact O-CD 3.41Å; A477-K501 PolarHBondContact O-NZ 3.47Å; M478-K501 WeakPolarHBondContact O-CB 3.43Å; M478-K501 PolarHBondContact O-N 3.11Å; W479-K501 WeakPolarHBondContact O-CE 3.17Å; W479-K501 PolarHBondContact O-NZ 3.47Å; N480-K501 HydrophobicContact CB-CG 4.43Å; Q499-K501 PolarHBondContact O-N 3.28Å; K501-A503 PolarHBondContact O-N 3.04Å; K501-F504 HydrophobicContact CB-CD2 4.12Å; K501-F504 PolarHBondContact O-N 3.35Å; K501-A505 PolarHBondContact O-N 2.94Å
502	P	82.8	Confident	81.9	Confident	121 Å²	121	46.5 Å²	46.5	79%	0.786	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-52.7	-37.5	-174.2	-28.3	33.7	0	0	0	114.3	F504 A505	P502-F504 PolarHBondContact O-N 3.33Å; P502-F504 VanDerWaalsContact O-N 3.12Å; P502-A505 WeakPolarHBondContact O-CB 3.23Å; P502-A505 PolarHBondContact O-N 3.36Å
503	A	83.7	Confident	80.4	Confident	85 Å²	85	45.8 Å²	45.8	70%	0.702	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-62.5	-17.7	178.9	0	0	0	0	0	114.5	K501	K501-A503 PolarHBondContact O-N 3.04Å
504	F	82.4	Confident	78.3	Confident	58 Å²	58	48.9 Å²	48.9	25%	0.254	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-118.1	6.1	-176.2	-60.9	-81	0	0	0	113.2	M478 K501 P502 S506 K507 V508	M478-F504 HydrophobicContact CB-CB 4.01Å; M478-F504 HydrophobicContact CB-CD2 4.46Å; M478-F504 HydrophobicContact CB-CG 4.1Å; M478-F504 HydrophobicContact CG-CB 4.09Å; M478-F504 HydrophobicContact CG-CD1 3.79Å; M478-F504 HydrophobicContact CG-CD2 4.46Å; M478-F504 HydrophobicContact CG-CE1 4.32Å; M478-F504 HydrophobicContact CG-CG 3.86Å; K501-F504 HydrophobicContact CB-CD2 4.12Å; K501-F504 PolarHBondContact O-N 3.35Å; P502-F504 PolarHBondContact O-N 3.33Å; P502-F504 VanDerWaalsContact O-N 3.12Å; F504-S506 PolarHBondContact O-N 3.07Å; F504-S506 VanDerWaalsContact O-N 3.12Å; F504-K507 HydrophobicContact CD1-CD 4.29Å; F504-K507 PolarHBondContact O-N 3.25Å; F504-V508 PolarHBondContact O-N 3.09Å
505	A	75.8	Confident	76.2	Confident	32 Å²	32	52.4 Å²	52.4	26%	0.264	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-33.8	-178.8	0	0	0	0	0	113.8	V500 K501 P502 T517	V500-A505 HydrophobicContact CG1-CB 3.93Å; K501-A505 PolarHBondContact O-N 2.94Å; P502-A505 WeakPolarHBondContact O-CB 3.23Å; P502-A505 PolarHBondContact O-N 3.36Å; A505-T517 HydrophobicContact CB-CG2 4.02Å
506	S	74.2	Confident	74.1	Confident	116 Å²	116	59.8 Å²	59.8	81%	0.811	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-17.3	177.6	58.2	0	0	0	0	114.7	F504	F504-S506 PolarHBondContact O-N 3.07Å; F504-S506 VanDerWaalsContact O-N 3.12Å
507	K	71.1	Confident	72.6	Confident	127 Å²	127	64.2 Å²	64.2	55%	0.552	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-16.9	-178.3	-69.2	-167.1	-178.5	-179.3	0	113.4	F504	F504-K507 HydrophobicContact CD1-CD 4.29Å; F504-K507 PolarHBondContact O-N 3.25Å
508	V	69.7	Low	71.7	Confident	19 Å²	19	65.4 Å²	65.4	12%	0.115	42%	0.422	C	S	.	.	S	Bend	trans	-93.3	121.8	177.4	177.7	0	0	0	0	108.8	W479 V500 F504 N510	W479-V508 HydrophobicContact CH2-CG1 3.69Å; W479-V508 HydrophobicContact CZ2-CB 4.4Å; W479-V508 HydrophobicContact CZ2-CG1 3.43Å; W479-V508 VanDerWaalsContact CZ2-CG1 3.43Å; W479-V508 HydrophobicContact CZ2-CG2 4.07Å; V500-V508 HydrophobicContact CG2-CB 3.74Å; V500-V508 HydrophobicContact CG2-CG1 3.93Å; V500-V508 HydrophobicContact CG2-CG2 3.48Å; V500-V508 VanDerWaalsContact CG2-CG2 3.48Å; F504-V508 PolarHBondContact O-N 3.09Å; V508-N510 PolarHBondContact O-N 3.49Å
509	P	66.4	Low	71.5	Confident	34 Å²	34	67.1 Å²	67.1	22%	0.221	43%	0.432	C	S	.	.			trans	-57	127.8	-179	-23	31.8	0	0	0	111.3	T511 N541	P509-T511 VanDerWaalsContact C-N 3.26Å; P509-T511 HydrophobicContact CB-CG2 3.96Å; P509-T511 PolarHBondContact O-N 3.41Å; P509-N541 WeakPolarHBondContact CB-OD1 3.5Å
510	N	66.4	Low	71.5	Confident	76 Å²	76	64 Å²	64	41%	0.406	42%	0.417	S	S	.	.			trans	-77.5	79.7	177.4	-170.2	4.3	0	0	0	110.8	V508 A512 S514	V508-N510 PolarHBondContact O-N 3.49Å; N510-A512 VanDerWaalsContact C-N 3.32Å; N510-A512 PolarHBondContact O-N 2.98Å; N510-A512 PolarHBondContact OD1-N 2.9Å; N510-S514 PolarHBondContact ND2-O 3.06Å; N510-S514 PolarHBondContact OD1-O 3.33Å
511	T	64.9	Low	71.9	Confident	7 Å²	7	63 Å²	63	4%	0.043	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	0.7	-178.5	61.4	0	0	0	0	114.5	E412 P509 R520 R538	E412-T511 PolarHBondContact OE1-OG1 2.8Å; P509-T511 VanDerWaalsContact C-N 3.26Å; P509-T511 HydrophobicContact CB-CG2 3.96Å; P509-T511 PolarHBondContact O-N 3.41Å; T511-R520 VanDerWaalsContact N-NH2 3.12Å; T511-R520 VanDerWaalsContact OG1-CZ 3.23Å; T511-R520 PolarHBondContact OG1-NH1 3.44Å; T511-R520 PolarHBondContact OG1-NH2 3.42Å; T511-R538 PolarHBondContact O-NH1 3.13Å; T511-R538 PolarHBondContact OG1-NH2 3.38Å; T511-R538 VanDerWaalsContact OG1-NH2 3.16Å
512	A	58.7	Low	72.3	Confident	20 Å²	20	59.6 Å²	59.6	17%	0.165	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-14	-179.2	0	0	0	0	0	113.6	N510 S514 D577	N510-A512 VanDerWaalsContact C-N 3.32Å; N510-A512 PolarHBondContact O-N 2.98Å; N510-A512 PolarHBondContact OD1-N 2.9Å; A512-S514 PolarHBondContact O-N 3.21Å; A512-D577 HydrophobicContact CB-CB 4.49Å
513	G	54.5	Low	73	Confident	79 Å²	79	53.8 Å²	53.8	81%	0.814	36%	0.359	S	S	*	.	S	Bend	trans	74.8	-23.6	-179.6	0	0	0	0	0	114.7
514	S	48.6	Very low	73.6	Confident	65 Å²	65	50.3 Å²	50.3	46%	0.455	33%	0.328	S	S	.	.	S	Bend	trans	-85.4	132.3	164.5	51.9	0	0	0	0	109.3	N510 A512 E516	N510-S514 PolarHBondContact ND2-O 3.06Å; N510-S514 PolarHBondContact OD1-O 3.33Å; A512-S514 PolarHBondContact O-N 3.21Å; S514-E516 PolarHBondContact O-N 3.19Å
515	G	51.4	Low	74.2	Confident	80 Å²	80	47.7 Å²	47.7	83%	0.825	32%	0.317	S	S	*	.	S	Bend	trans	-59.8	6.5	-178.6	0	0	0	0	0	116.9
516	E	52.7	Low	74.9	Confident	155 Å²	155	47.4 Å²	47.4	72%	0.724	32%	0.315	S	S	*	.	S	Bend	trans	-98.9	131.2	-178.9	-70.1	-176.6	160.6	0	0	112.1	S514 G518	S514-E516 PolarHBondContact O-N 3.19Å; E516-G518 PolarHBondContact O-N 3.36Å
517	T	64.9	Low	75.7	Confident	94 Å²	94	42.8 Å²	42.8	58%	0.577	28%	0.282	S	S	*	.			trans	-74.8	69.3	168.8	50.7	0	0	0	0	110.4	V500 A505	V500-T517 HydrophobicContact CG1-CG2 4.38Å; A505-T517 HydrophobicContact CB-CG2 4.02Å
518	G	77.6	Confident	76.5	Confident	30 Å²	30	42.5 Å²	42.5	31%	0.309	28%	0.283	S	S	.	.			trans	-71.6	170.8	175.9	0	0	0	0	0	113.3	E516	E516-G518 PolarHBondContact O-N 3.36Å
519	P	88.7	Confident	77.2	Confident	35 Å²	35	42.4 Å²	42.4	23%	0.227	29%	0.285	C	S	.	.			trans	-60.7	155.4	170	28.2	-34.3	0	0	0	111.3	Y497 L498 Q499 P579	Y497-P519 HydrophobicContact CE1-CB 3.59Å; Y497-P519 HydrophobicContact CE2-CB 4.24Å; Y497-P519 VanDerWaalsContact CZ-CB 3.4Å; Y497-P519 WeakPolarHBondContact OH-CB 3.31Å; Y497-P519 WeakPolarHBondContact OH-CG 3.31Å; L498-P519 CarbonylContact O-C 3.55Å; L498-P519 VanDerWaalsContact O-CA 3.29Å; L498-P519 WeakPolarHBondContact O-CA 3.37Å; Q499-P519 HydrophobicContact CG-CB 3.96Å; P519-P579 HydrophobicContact CB-CG 4.07Å; P519-P579 HydrophobicContact CG-CG 4.13Å; P519-P579 WeakPolarHBondContact O-CD 3.1Å
520	R	91.5	Very high	78.6	Confident	14 Å²	14	40.8 Å²	40.8	5%	0.053	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	154.3	-179.1	-64.9	-99.7	-176.3	169	14.5	109.4	W479 L498 T511 F522 D577	W479-R520 HydrophobicContact CH2-CB 4.49Å; W479-R520 HydrophobicContact CH2-CG 4.11Å; W479-R520 HydrophobicContact CZ3-CB 4.15Å; W479-R520 HydrophobicContact CZ3-CG 4Å; L498-R520 PolarHBondContact N-O 2.92Å; L498-R520 PolarHBondContact O-N 3.49Å; T511-R520 VanDerWaalsContact N-NH2 3.12Å; T511-R520 VanDerWaalsContact OG1-CZ 3.23Å; T511-R520 PolarHBondContact OG1-NH1 3.44Å; T511-R520 PolarHBondContact OG1-NH2 3.42Å; R520-F522 HydrophobicContact CB-CE1 4.34Å; R520-D577 IonicContact CZ-OD1 2.71Å; R520-D577 IonicContact NH1-OD1 2.76Å; R520-D577 PolarHBondContact NH1-OD1 3.3Å
521	M	95	Very high	79.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	115.2	169.2	-162.3	-174.3	-62.8	0	0	110.2	L485 V496 Y497 T575 C576 P579 M585 E597	L485-M521 HydrophobicContact CD1-SD 4.24Å; V496-M521 CarbonylContact O-C 3.57Å; V496-M521 WeakPolarHBondContact O-CA 3.36Å; V496-M521 WeakPolarHBondContact O-CG 3.31Å; Y497-M521 HydrophobicContact CD2-CE 4.06Å; M521-T575 CarbonylContact O-C 3.45Å; M521-T575 VanDerWaalsContact O-CA 3.26Å; M521-T575 WeakPolarHBondContact O-CA 3.43Å; M521-T575 PolarHBondContact O-OG1 2.97Å; M521-C576 HydrophobicContact CB-CB 3.77Å; M521-C576 PolarHBondContact N-O 2.87Å; M521-C576 VanDerWaalsContact N-O 3.13Å; M521-C576 PolarHBondContact O-N 3.46Å; M521-P579 HydrophobicContact CB-CB 4.11Å; M521-P579 HydrophobicContact CE-CB 3.83Å; M521-M585 HydrophobicContact CE-CE 3.59Å; M521-E597 HydrophobicContact SD-CG 4.15Å
522	F	97.2	Very high	81.1	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.018	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	137.2	174.1	-66.4	-18.9	0	0	0	109.9	N415 I416 M419 C420 W479 S495 V496 L498 R520 T575	N415-F522 HydrophobicContact CB-CE2 3.87Å; N415-F522 HydrophobicContact CB-CZ 4.14Å; I416-F522 HydrophobicContact CB-CB 4.39Å; I416-F522 HydrophobicContact CB-CG 4.43Å; I416-F522 HydrophobicContact CG1-CB 4Å; I416-F522 HydrophobicContact CG1-CD1 3.9Å; I416-F522 HydrophobicContact CG1-CD2 4.11Å; I416-F522 HydrophobicContact CG1-CE1 4.42Å; I416-F522 HydrophobicContact CG1-CG 3.74Å; I416-F522 HydrophobicContact CG2-CB 4.24Å; M419-F522 HydrophobicContact CB-CD2 3.92Å; M419-F522 HydrophobicContact CB-CE2 4.3Å; M419-F522 HydrophobicContact CG-CD2 4.43Å; M419-F522 HydrophobicContact CG-CE2 4.31Å; C420-F522 HydrophobicContact CB-CB 4.17Å; W479-F522 HydrophobicContact CH2-CE1 4.48Å; W479-F522 AromaticContact CH2-CZ 3.75Å; W479-F522 HydrophobicContact CH2-CZ 3.75Å; W479-F522 HydrophobicContact CZ2-CE2 4.12Å; W479-F522 AromaticContact CZ2-CZ 3.58Å; W479-F522 HydrophobicContact CZ2-CZ 3.58Å; W479-F522 HydrophobicContact CZ3-CZ 4.37Å; S495-F522 CarbonylContact C-O 3.53Å; S495-F522 WeakPolarHBondContact CA-O 3.21Å; S495-F522 VanDerWaalsContact CB-O 3.22Å; S495-F522 WeakPolarHBondContact CB-O 3.42Å; V496-F522 HydrophobicContact CG2-CB 3.88Å; V496-F522 PolarHBondContact N-O 2.95Å; V496-F522 PolarHBondContact O-N 2.85Å; L498-F522 HydrophobicContact CD1-CB 4.23Å; L498-F522 HydrophobicContact CD1-CD1 4.29Å; L498-F522 HydrophobicContact CD1-CD2 3.1Å; L498-F522 HydrophobicContact CD1-CE1 4.45Å; L498-F522 HydrophobicContact CD1-CE2 3.28Å; L498-F522 HydrophobicContact CD1-CG 3.63Å; L498-F522 HydrophobicContact CD1-CZ 3.99Å; R520-F522 HydrophobicContact CB-CE1 4.34Å; F522-T575 WeakPolarHBondContact CD1-OG1 3.33Å
523	V	97.7	Very high	82.9	Confident	0 Å²	0	42 Å²	42	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	134.6	-172.7	-172.3	0	0	0	0	109.3	M494 V530 A574 L600	M494-V523 WeakPolarHBondContact O-CA 3.46Å; V523-V530 HydrophobicContact CG1-CG2 4.5Å; V523-A574 HydrophobicContact CB-CB 4.39Å; V523-A574 PolarHBondContact N-O 3.24Å; V523-A574 PolarHBondContact O-N 3.18Å; V523-A574 VanDerWaalsContact O-O 3.13Å; V523-L600 HydrophobicContact CB-CD1 4.44Å; V523-L600 HydrophobicContact CG1-CD1 4.23Å; V523-L600 HydrophobicContact CG2-CD1 4.2Å; V523-L600 HydrophobicContact CG2-CD2 3.87Å
524	K	97.5	Very high	84.9	Confident	11 Å²	11	38.7 Å²	38.7	5%	0.048	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	146.4	166.8	74.1	-177.3	179.8	-168	0	110.3	C420 E442 L445 S493 M494 A572 L573	C420-K524 WeakPolarHBondContact O-CD 3.38Å; C420-K524 WeakPolarHBondContact O-CE 3.43Å; C420-K524 PolarHBondContact O-NZ 3.07Å; E442-K524 WeakPolarHBondContact OE1-CE 3.35Å; E442-K524 IonicContact OE1-NZ 2.97Å; E442-K524 PolarHBondContact OE1-NZ 3.47Å; L445-K524 HydrophobicContact CD1-CD 3.96Å; S493-K524 CarbonylContact C-O 3.52Å; S493-K524 VanDerWaalsContact CA-O 3.27Å; S493-K524 WeakPolarHBondContact CA-O 3.35Å; S493-K524 WeakPolarHBondContact CB-O 3.37Å; M494-K524 HydrophobicContact CB-CG 4.41Å; M494-K524 PolarHBondContact N-O 3.12Å; M494-K524 PolarHBondContact O-N 3.37Å; M494-K524 VanDerWaalsContact SD-CE 3.54Å; K524-A572 WeakPolarHBondContact CA-O 3.26Å; K524-L573 HydrophobicContact CB-CD2 3.78Å
525	G	94	Very high	87.1	Confident	3 Å²	3	38.4 Å²	38.4	3%	0.031	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.2	-171.2	177.4	0	0	0	0	0	115.1	K492 L571 A572	K492-G525 VanDerWaalsContact O-CA 3.29Å; K492-G525 WeakPolarHBondContact O-CA 3.36Å; G525-L571 WeakPolarHBondContact O-CD2 3.43Å; G525-A572 PolarHBondContact N-O 2.95Å; G525-A572 VanDerWaalsContact N-O 3.12Å; G525-A572 PolarHBondContact O-N 2.98Å
526	A	89.9	Confident	89.2	Confident	26 Å²	26	37.3 Å²	37.3	22%	0.215	21%	0.21	C	C	.	.			trans	-59.1	131.9	174.8	0	0	0	0	0	110.1	K492 E528 G529 V530	K492-A526 HydrophobicContact CB-CB 3.75Å; K492-A526 HydrophobicContact CD-CB 4.02Å; K492-A526 PolarHBondContact O-N 3.39Å; A526-E528 VanDerWaalsContact C-N 3.35Å; A526-E528 PolarHBondContact O-N 3.01Å; A526-G529 PolarHBondContact O-N 3.04Å; A526-V530 WeakPolarHBondContact O-CG2 3.42Å; A526-V530 PolarHBondContact O-N 2.98Å; A526-V530 VanDerWaalsContact O-N 3.07Å
527	P	91.9	Very high	91.2	Very high	19 Å²	19	30 Å²	30	12%	0.123	18%	0.175	C	C	.	.	H	α-helix	trans	-53.7	-45.1	-175.3	-29.7	35.6	0	0	0	114.4	G529 L531 V558 C570 A572	P527-G529 PolarHBondContact O-N 3.22Å; P527-L531 HydrophobicContact CB-CD1 4.36Å; P527-L531 WeakPolarHBondContact O-CB 3.41Å; P527-L531 WeakPolarHBondContact O-CD1 3.37Å; P527-L531 WeakPolarHBondContact O-CG 3.41Å; P527-L531 PolarHBondContact O-N 3.1Å; P527-V558 HydrophobicContact CB-CG1 3.83Å; P527-V558 HydrophobicContact CB-CG2 4.13Å; P527-V558 HydrophobicContact CG-CG1 3.8Å; P527-V558 HydrophobicContact CG-CG2 4.38Å; P527-C570 WeakPolarHBondContact CD-O 3.29Å; P527-C570 HydrophobicContact CG-CB 3.97Å; P527-A572 HydrophobicContact CB-CB 4.24Å; P527-A572 HydrophobicContact CG-CB 4.38Å
528	E	86.8	Confident	92.5	Very high	121 Å²	121	25.6 Å²	25.6	57%	0.565	15%	0.149	S	C	*	.	H	α-helix	trans	-55.5	-52.4	-180	84.7	-168.6	173.9	0	0	111.5	K492 A526 V530 L531 D532	K492-E528 IonicContact NZ-OE1 3.41Å; K492-E528 PolarHBondContact NZ-OE1 3.35Å; A526-E528 VanDerWaalsContact C-N 3.35Å; A526-E528 PolarHBondContact O-N 3.01Å; E528-V530 PolarHBondContact O-N 3.45Å; E528-L531 PolarHBondContact O-N 2.88Å; E528-D532 VanDerWaalsContact O-CG 3.3Å; E528-D532 PolarHBondContact O-N 3.11Å; E528-D532 VanDerWaalsContact O-N 3.09Å
529	G	85.6	Confident	93.1	Very high	17 Å²	17	25.4 Å²	25.4	18%	0.175	14%	0.14	C	C	.	.	H	α-helix	trans	-76.5	-29.7	-170.9	0	0	0	0	0	112.7	A526 P527 R533	A526-G529 PolarHBondContact O-N 3.04Å; P527-G529 PolarHBondContact O-N 3.22Å; G529-R533 PolarHBondContact O-NE 3.18Å; G529-R533 PolarHBondContact O-NH2 3.31Å
530	V	94.7	Very high	93	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-74.7	-44.8	174.1	176.4	0	0	0	0	110.3	V523 A526 E528 D532 R533 C534 A572 A574 L600	V523-V530 HydrophobicContact CG1-CG2 4.5Å; A526-V530 WeakPolarHBondContact O-CG2 3.42Å; A526-V530 PolarHBondContact O-N 2.98Å; A526-V530 VanDerWaalsContact O-N 3.07Å; E528-V530 PolarHBondContact O-N 3.45Å; V530-D532 VanDerWaalsContact C-N 3.31Å; V530-D532 PolarHBondContact O-N 3.42Å; V530-R533 CarbonylContact O-C 3.55Å; V530-R533 PolarHBondContact O-N 2.89Å; V530-C534 PolarHBondContact O-N 2.88Å; V530-C534 PolarHBondContact O-SG 3.41Å; V530-A572 HydrophobicContact CB-CB 4.07Å; V530-A572 HydrophobicContact CG1-CB 4.15Å; V530-A574 HydrophobicContact CG1-CB 3.72Å; V530-L600 HydrophobicContact CG1-CD1 4.39Å
531	L	93.4	Very high	92.5	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-65.9	-31.3	-178.2	-70.6	170.2	0	0	0	113.2	P527 E528 R533 C534 M546 I554 V555 F602	P527-L531 HydrophobicContact CB-CD1 4.36Å; P527-L531 WeakPolarHBondContact O-CB 3.41Å; P527-L531 WeakPolarHBondContact O-CD1 3.37Å; P527-L531 WeakPolarHBondContact O-CG 3.41Å; P527-L531 PolarHBondContact O-N 3.1Å; E528-L531 PolarHBondContact O-N 2.88Å; L531-R533 PolarHBondContact O-N 2.86Å; L531-C534 PolarHBondContact O-N 3.37Å; L531-M546 HydrophobicContact CD2-CE 4.34Å; L531-I554 HydrophobicContact CD1-CB 4.36Å; L531-I554 HydrophobicContact CD1-CG2 3.66Å; L531-I554 HydrophobicContact CD2-CD1 3.83Å; L531-I554 HydrophobicContact CD2-CG2 3.91Å; L531-I554 HydrophobicContact CG-CG2 4.42Å; L531-V555 HydrophobicContact CD1-CG2 4.18Å; L531-F602 HydrophobicContact CD2-CD2 3.51Å; L531-F602 HydrophobicContact CD2-CE2 3.92Å; L531-F602 HydrophobicContact CD2-CG 4.14Å
532	D	91.6	Very high	92.1	Very high	112 Å²	112	35 Å²	35	60%	0.599	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-23.1	173.5	-74.2	-16.3	0	0	0	113.3	E528 V530 K551	E528-D532 VanDerWaalsContact O-CG 3.3Å; E528-D532 PolarHBondContact O-N 3.11Å; E528-D532 VanDerWaalsContact O-N 3.09Å; V530-D532 VanDerWaalsContact C-N 3.31Å; V530-D532 PolarHBondContact O-N 3.42Å; D532-K551 IonicContact OD1-NZ 3.65Å; D532-K551 PolarHBondContact OD1-NZ 3.21Å
533	R	95.5	Very high	91.7	Very high	15 Å²	15	38.8 Å²	38.8	6%	0.057	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-0.9	177.9	-65.4	176.3	-70.5	166.1	-5.2	113	R491 S493 G529 V530 L531 E597 N599 L600	R491-R533 PolarHBondContact O-NH2 2.92Å; R491-R533 VanDerWaalsContact O-NH2 3.11Å; S493-R533 PolarHBondContact OG-NH1 3.47Å; S493-R533 PolarHBondContact OG-NH2 3.39Å; G529-R533 PolarHBondContact O-NE 3.18Å; G529-R533 PolarHBondContact O-NH2 3.31Å; V530-R533 CarbonylContact O-C 3.55Å; V530-R533 PolarHBondContact O-N 2.89Å; L531-R533 PolarHBondContact O-N 2.86Å; R533-E597 WeakPolarHBondContact CB-O 3.36Å; R533-E597 WeakPolarHBondContact CD-O 3.09Å; R533-E597 IonicContact CZ-OE2 2.79Å; R533-E597 IonicContact NH1-OE2 3.28Å; R533-E597 PolarHBondContact NH1-OE2 2.98Å; R533-E597 IonicContact NH2-OE2 2.88Å; R533-N599 PolarHBondContact O-N 3.28Å; R533-L600 HydrophobicContact CB-CD1 3.96Å; R533-L600 HydrophobicContact CB-CG 4.35Å; R533-L600 WeakPolarHBondContact O-CB 3.46Å; R533-L600 PolarHBondContact O-N 3.35Å
534	C	96.5	Very high	91.4	Very high	10 Å²	10	40.6 Å²	40.6	7%	0.068	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	121.9	173.9	-69.6	0	0	0	0	111	V530 L531 M546 L600 F602	V530-C534 PolarHBondContact O-N 2.88Å; V530-C534 PolarHBondContact O-SG 3.41Å; L531-C534 PolarHBondContact O-N 3.37Å; C534-M546 HydrophobicContact CB-CE 3.8Å; C534-L600 CarbonylContact C-O 3.46Å; C534-L600 VanDerWaalsContact CA-O 3.25Å; C534-L600 WeakPolarHBondContact CA-O 3.46Å; C534-F602 HydrophobicContact CB-CB 4.3Å
535	T	95.5	Very high	91.2	Very high	58 Å²	58	44.1 Å²	44.1	36%	0.356	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-12	172.7	52.3	0	0	0	0	112.1	M546 N599 L600	T535-M546 WeakPolarHBondContact O-CB 3.2Å; T535-M546 PolarHBondContact O-N 3.36Å; T535-N599 WeakPolarHBondContact OG1-CA 3.43Å; T535-L600 PolarHBondContact N-O 3.34Å
536	F	95.1	Very high	91.1	Very high	58 Å²	58	45.5 Å²	45.5	25%	0.254	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	164.3	178.7	-56.7	-80.3	0	0	0	111.6	K543 V544 L600 T601 F602	F536-K543 HydrophobicContact CB-CD 3.98Å; F536-K543 HydrophobicContact CB-CG 3.64Å; F536-K543 HydrophobicContact CD1-CD 3.95Å; F536-K543 HydrophobicContact CD1-CG 3.82Å; F536-K543 HydrophobicContact CD2-CD 4.02Å; F536-K543 HydrophobicContact CE1-CD 4.48Å; F536-K543 HydrophobicContact CG-CD 3.71Å; F536-K543 HydrophobicContact CG-CG 3.75Å; F536-V544 CarbonylContact C-O 3.26Å; F536-V544 WeakPolarHBondContact CA-O 3.19Å; F536-V544 WeakPolarHBondContact CB-O 3.49Å; F536-L600 PolarHBondContact N-O 3.46Å; F536-L600 VanDerWaalsContact N-O 3.12Å; F536-T601 HydrophobicContact CB-CG2 3.97Å; F536-T601 WeakPolarHBondContact CB-OG1 3.24Å; F536-T601 CarbonylContact O-C 3.57Å; F536-T601 WeakPolarHBondContact O-CA 3.48Å; F536-F602 PolarHBondContact O-N 2.78Å
537	V	94.1	Very high	91.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.1	171.6	175.1	0	0	0	0	108.8	F369 I539 V544 M546 F602	F369-V537 HydrophobicContact CB-CG1 4.47Å; F369-V537 HydrophobicContact CD2-CG1 3.61Å; F369-V537 HydrophobicContact CE2-CG1 4.13Å; F369-V537 HydrophobicContact CG-CG1 4.23Å; V537-I539 HydrophobicContact CG1-CG1 4.18Å; V537-V544 HydrophobicContact CB-CG2 4.01Å; V537-V544 PolarHBondContact N-O 2.78Å; V537-V544 WeakPolarHBondContact O-CG2 3.41Å; V537-V544 PolarHBondContact O-N 3Å; V537-M546 HydrophobicContact CG2-CB 4.28Å; V537-M546 HydrophobicContact CG2-CE 3.28Å; V537-M546 HydrophobicContact CG2-CG 4.46Å; V537-M546 HydrophobicContact CG2-SD 3.36Å; V537-M546 WeakPolarHBondContact CG2-SD 3.36Å; V537-F602 HydrophobicContact CG1-CD1 4.26Å; V537-F602 HydrophobicContact CG2-CB 4.4Å
538	R	93.2	Very high	91.2	Very high	3 Å²	3	50 Å²	50	1%	0.011	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	133	172.8	-172.2	73	69.1	-145.8	-1.9	110.6	E412 T511 G540 K542 T575 D577 T601 F602 V603	E412-R538 IonicContact OE1-CZ 3.79Å; E412-R538 IonicContact OE1-NE 2.66Å; E412-R538 PolarHBondContact OE1-NE 2.87Å; E412-R538 IonicContact OE1-NH2 3.74Å; E412-R538 PolarHBondContact OE1-NH2 3.48Å; E412-R538 WeakPolarHBondContact OE2-CD 3.47Å; E412-R538 VanDerWaalsContact OE2-CG 3.28Å; E412-R538 WeakPolarHBondContact OE2-CG 3.45Å; E412-R538 IonicContact OE2-CZ 3.66Å; E412-R538 IonicContact OE2-NE 2.78Å; E412-R538 PolarHBondContact OE2-NE 2.85Å; E412-R538 IonicContact OE2-NH2 3.95Å; T511-R538 PolarHBondContact O-NH1 3.13Å; T511-R538 PolarHBondContact OG1-NH2 3.38Å; T511-R538 VanDerWaalsContact OG1-NH2 3.16Å; R538-G540 VanDerWaalsContact CD-O 3.31Å; R538-G540 WeakPolarHBondContact CD-O 3.45Å; R538-G540 VanDerWaalsContact CG-O 3.23Å; R538-G540 WeakPolarHBondContact CG-O 3.31Å; R538-K542 WeakPolarHBondContact CD-O 3.49Å; R538-T575 VanDerWaalsContact NH2-CG2 3.26Å; R538-D577 IonicContact CZ-OD1 2.65Å; R538-D577 IonicContact CZ-OD2 3.13Å; R538-D577 IonicContact NH1-OD1 3.19Å; R538-D577 IonicContact NH1-OD2 2.74Å; R538-D577 IonicContact NH2-OD1 3.92Å; R538-D577 PolarHBondContact NH2-OD1 3.32Å; R538-D577 IonicContact NH2-OD2 2.71Å; R538-D577 PolarHBondContact NH2-OD2 2.74Å; R538-T601 HydrophobicContact CB-CG2 4.01Å; R538-F602 WeakPolarHBondContact CB-O 3.34Å; R538-F602 PolarHBondContact N-O 2.94Å; R538-V603 HydrophobicContact CB-CG2 4.28Å
539	I	89.6	Confident	91.4	Very high	25 Å²	25	47 Å²	47	13%	0.128	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	107.4	174.1	-59.1	177.2	0	0	0	108.9	F369 S370 A372 V537 N541 K542 V544	F369-I539 HydrophobicContact CB-CD1 4.39Å; F369-I539 HydrophobicContact CB-CG1 3.92Å; S370-I539 WeakPolarHBondContact O-CG2 3.46Å; A372-I539 HydrophobicContact CB-CD1 3.06Å; V537-I539 HydrophobicContact CG1-CG1 4.18Å; I539-N541 PolarHBondContact O-N 2.67Å; I539-K542 PolarHBondContact N-O 2.92Å; I539-K542 PolarHBondContact O-N 3.47Å; I539-V544 HydrophobicContact CD1-CG2 3.69Å; I539-V544 HydrophobicContact CG1-CG2 4.26Å
540	G	86.2	Confident	91.6	Very high	25 Å²	25	46.3 Å²	46.3	26%	0.258	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	-122.5	-163.6	0	0	0	0	0	109.8	R538	R538-G540 VanDerWaalsContact CD-O 3.31Å; R538-G540 WeakPolarHBondContact CD-O 3.45Å; R538-G540 VanDerWaalsContact CG-O 3.23Å; R538-G540 WeakPolarHBondContact CG-O 3.31Å
541	N	82.4	Confident	91.5	Very high	66 Å²	66	49.2 Å²	49.2	35%	0.353	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-0.5	175.9	-70.5	-34.9	0	0	0	115	D408 P509 I539	D408-N541 VanDerWaalsContact CB-OD1 3.31Å; D408-N541 WeakPolarHBondContact CB-OD1 3.33Å; D408-N541 VanDerWaalsContact CG-OD1 3.31Å; D408-N541 PolarHBondContact OD1-ND2 3.47Å; D408-N541 PolarHBondContact OD1-OD1 2.91Å; D408-N541 PolarHBondContact OD2-ND2 3.48Å; P509-N541 WeakPolarHBondContact CB-OD1 3.5Å; I539-N541 PolarHBondContact O-N 2.67Å
542	K	86.6	Confident	91.4	Very high	160 Å²	160	51.9 Å²	51.9	70%	0.696	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.7	144.8	-176	-63.6	-176.4	-177.8	177.3	0	111.9	R538 I539	R538-K542 WeakPolarHBondContact CD-O 3.49Å; I539-K542 PolarHBondContact N-O 2.92Å; I539-K542 PolarHBondContact O-N 3.47Å
543	K	88.6	Confident	91.4	Very high	84 Å²	84	48.6 Å²	48.6	37%	0.365	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.7	170.4	-171.3	175.1	81.5	178.8	0	109.4	F536 D577 T601	F536-K543 HydrophobicContact CB-CD 3.98Å; F536-K543 HydrophobicContact CB-CG 3.64Å; F536-K543 HydrophobicContact CD1-CD 3.95Å; F536-K543 HydrophobicContact CD1-CG 3.82Å; F536-K543 HydrophobicContact CD2-CD 4.02Å; F536-K543 HydrophobicContact CE1-CD 4.48Å; F536-K543 HydrophobicContact CG-CD 3.71Å; F536-K543 HydrophobicContact CG-CG 3.75Å; K543-D577 WeakPolarHBondContact CD-OD2 3.23Å; K543-T601 HydrophobicContact CG-CG2 4.19Å
544	V	91.4	Very high	91.3	Very high	37 Å²	37	47.9 Å²	47.9	22%	0.224	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	150.7	175.1	-60.9	0	0	0	0	110.7	A372 F536 V537 I539	A372-V544 HydrophobicContact CB-CG2 4.04Å; F536-V544 CarbonylContact C-O 3.26Å; F536-V544 WeakPolarHBondContact CA-O 3.19Å; F536-V544 WeakPolarHBondContact CB-O 3.49Å; V537-V544 HydrophobicContact CB-CG2 4.01Å; V537-V544 PolarHBondContact N-O 2.78Å; V537-V544 WeakPolarHBondContact O-CG2 3.41Å; V537-V544 PolarHBondContact O-N 3Å; I539-V544 HydrophobicContact CD1-CG2 3.69Å; I539-V544 HydrophobicContact CG1-CG2 4.26Å
545	P	93.2	Very high	91	Very high	86 Å²	86	51.1 Å²	51.1	56%	0.558	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.8	141.7	174.8	-22.8	34.2	0	0	0	112.4	T547	P545-T547 PolarHBondContact O-N 2.87Å
546	M	92.3	Very high	90.9	Very high	31 Å²	31	54.1 Å²	54.1	15%	0.153	30%	0.297	C	S	.	.			trans	-75.5	108.3	173	179	72.1	79.3	0	0	109.2	L531 C534 T535 V537 L550 K551 I554 F602	L531-M546 HydrophobicContact CD2-CE 4.34Å; C534-M546 HydrophobicContact CB-CE 3.8Å; T535-M546 WeakPolarHBondContact O-CB 3.2Å; T535-M546 PolarHBondContact O-N 3.36Å; V537-M546 HydrophobicContact CG2-CB 4.28Å; V537-M546 HydrophobicContact CG2-CE 3.28Å; V537-M546 HydrophobicContact CG2-CG 4.46Å; V537-M546 HydrophobicContact CG2-SD 3.36Å; V537-M546 WeakPolarHBondContact CG2-SD 3.36Å; M546-L550 HydrophobicContact SD-CB 4.24Å; M546-K551 HydrophobicContact CG-CB 4.25Å; M546-K551 HydrophobicContact SD-CB 3.86Å; M546-I554 HydrophobicContact CE-CD1 3.81Å; M546-I554 HydrophobicContact SD-CD1 4.12Å; M546-F602 HydrophobicContact CE-CB 3.84Å; M546-F602 HydrophobicContact CE-CG 4.47Å
547	T	92.3	Very high	90.7	Very high	31 Å²	31	52.8 Å²	52.8	19%	0.19	29%	0.291	C	S	.	.			trans	-91.2	155.1	174.3	65.5	0	0	0	0	110.8	D374 P545 P549 L550 K551	D374-T547 WeakPolarHBondContact OD1-CB 3.31Å; D374-T547 VanDerWaalsContact OD1-CG2 3.31Å; D374-T547 WeakPolarHBondContact OD1-CG2 3.41Å; D374-T547 PolarHBondContact OD1-OG1 3.04Å; P545-T547 PolarHBondContact O-N 2.87Å; T547-P549 VanDerWaalsContact C-CD 3.48Å; T547-P549 VanDerWaalsContact C-N 3.34Å; T547-L550 PolarHBondContact O-N 3.02Å; T547-L550 VanDerWaalsContact O-N 3.15Å; T547-L550 WeakPolarHBondContact OG1-CG 3.37Å; T547-K551 PolarHBondContact O-N 3.34Å
548	P	90.8	Very high	90.5	Very high	109 Å²	109	54 Å²	54	71%	0.708	30%	0.298	S	S	*	.	H	α-helix	trans	-54.2	-39.7	176.4	-23.7	32.4	0	0	0	114.5	K551 A552	P548-K551 PolarHBondContact O-N 3.4Å; P548-A552 WeakPolarHBondContact O-CB 3.33Å; P548-A552 PolarHBondContact O-N 3.5Å
549	P	90	Very high	90.2	Very high	59 Å²	59	56 Å²	56	38%	0.383	32%	0.316	S	S	.	.	H	α-helix	trans	-59.8	-45.6	173.1	-25.3	35.3	0	0	0	113.4	T547 K551 A552 E553	T547-P549 VanDerWaalsContact C-CD 3.48Å; T547-P549 VanDerWaalsContact C-N 3.34Å; P549-K551 PolarHBondContact O-N 3.34Å; P549-A552 PolarHBondContact O-N 2.96Å; P549-E553 PolarHBondContact O-N 3.33Å
550	L	91.3	Very high	90.1	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-61.8	-44.5	177.5	-69.1	174.9	0	0	0	111.5	F369 A372 P377 M546 T547 A552 E553 I554	F369-L550 HydrophobicContact CE1-CD2 3.94Å; F369-L550 HydrophobicContact CZ-CD2 4.16Å; A372-L550 HydrophobicContact CB-CD1 4.01Å; A372-L550 HydrophobicContact CB-CD2 4.18Å; P377-L550 HydrophobicContact CB-CD2 3.72Å; P377-L550 HydrophobicContact CG-CD2 3.86Å; M546-L550 HydrophobicContact SD-CB 4.24Å; T547-L550 PolarHBondContact O-N 3.02Å; T547-L550 VanDerWaalsContact O-N 3.15Å; T547-L550 WeakPolarHBondContact OG1-CG 3.37Å; L550-A552 VanDerWaalsContact C-N 3.35Å; L550-A552 PolarHBondContact O-N 2.74Å; L550-E553 PolarHBondContact O-N 3.44Å; L550-I554 WeakPolarHBondContact O-CG1 3.32Å; L550-I554 PolarHBondContact O-N 3.49Å; L550-I554 VanDerWaalsContact O-N 3.14Å
551	K	92.3	Very high	90.2	Very high	61 Å²	61	57.4 Å²	57.4	27%	0.265	32%	0.323	S	S	.	.	H	α-helix	trans	-61.8	-42.8	177.6	-171.7	173	178.7	175.2	0	111.8	D532 M546 T547 P548 P549 E553 I554 V555	D532-K551 IonicContact OD1-NZ 3.65Å; D532-K551 PolarHBondContact OD1-NZ 3.21Å; M546-K551 HydrophobicContact CG-CB 4.25Å; M546-K551 HydrophobicContact SD-CB 3.86Å; T547-K551 PolarHBondContact O-N 3.34Å; P548-K551 PolarHBondContact O-N 3.4Å; P549-K551 PolarHBondContact O-N 3.34Å; K551-E553 VanDerWaalsContact C-N 3.34Å; K551-E553 PolarHBondContact O-N 3.47Å; K551-I554 PolarHBondContact O-N 3.45Å; K551-V555 WeakPolarHBondContact O-CG2 3.42Å; K551-V555 PolarHBondContact O-N 2.96Å; K551-V555 VanDerWaalsContact O-N 3.09Å
552	A	90.8	Very high	90.1	Very high	58 Å²	58	55.6 Å²	55.6	48%	0.479	32%	0.32	S	S	.	.	H	α-helix	trans	-62.5	-40.1	177.8	0	0	0	0	0	112.1	P548 P549 L550 V555 K556	P548-A552 WeakPolarHBondContact O-CB 3.33Å; P548-A552 PolarHBondContact O-N 3.5Å; P549-A552 PolarHBondContact O-N 2.96Å; L550-A552 VanDerWaalsContact C-N 3.35Å; L550-A552 PolarHBondContact O-N 2.74Å; A552-V555 PolarHBondContact O-N 3.12Å; A552-K556 WeakPolarHBondContact O-CB 3.48Å; A552-K556 PolarHBondContact O-N 3.38Å
553	E	91.8	Very high	89.6	Confident	43 Å²	43	53.3 Å²	53.3	20%	0.201	32%	0.319	C	S	.	.	H	α-helix	trans	-65.6	-39.6	177.9	-158.9	61.4	-159.3	0	0	111.7	P377 P549 L550 K551 V555 K556 H557	P377-E553 HydrophobicContact CB-CG 4.46Å; P549-E553 PolarHBondContact O-N 3.33Å; L550-E553 PolarHBondContact O-N 3.44Å; K551-E553 VanDerWaalsContact C-N 3.34Å; K551-E553 PolarHBondContact O-N 3.47Å; E553-V555 PolarHBondContact O-N 3.44Å; E553-K556 WeakPolarHBondContact O-CB 3.42Å; E553-K556 PolarHBondContact O-N 2.81Å; E553-K556 IonicContact OE1-NZ 3.53Å; E553-K556 PolarHBondContact OE1-NZ 3.29Å; E553-K556 IonicContact OE2-NZ 3.6Å; E553-K556 PolarHBondContact OE2-NZ 3.33Å; E553-H557 PolarHBondContact O-CD2 3.37Å; E553-H557 PolarHBondContact O-N 3.38Å; E553-H557 IonicContact OE1-NE2 2.74Å; E553-H557 PolarHBondContact OE1-NE2 3.48Å
554	I	92.6	Very high	88.8	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60	-49.8	173.5	-59.6	164	0	0	0	110.7	F367 F369 L531 M546 L550 K551 K556 H557 V558 F602	F367-I554 HydrophobicContact CE2-CG2 4.37Å; F367-I554 HydrophobicContact CZ-CG2 4.13Å; F369-I554 HydrophobicContact CE2-CD1 3.8Å; F369-I554 HydrophobicContact CE2-CG1 3.46Å; F369-I554 VanDerWaalsContact CE2-CG1 3.46Å; F369-I554 HydrophobicContact CZ-CD1 4.42Å; F369-I554 HydrophobicContact CZ-CG1 3.78Å; L531-I554 HydrophobicContact CD1-CB 4.36Å; L531-I554 HydrophobicContact CD1-CG2 3.66Å; L531-I554 HydrophobicContact CD2-CD1 3.83Å; L531-I554 HydrophobicContact CD2-CG2 3.91Å; L531-I554 HydrophobicContact CG-CG2 4.42Å; M546-I554 HydrophobicContact CE-CD1 3.81Å; M546-I554 HydrophobicContact SD-CD1 4.12Å; L550-I554 WeakPolarHBondContact O-CG1 3.32Å; L550-I554 PolarHBondContact O-N 3.49Å; L550-I554 VanDerWaalsContact O-N 3.14Å; K551-I554 PolarHBondContact O-N 3.45Å; I554-K556 VanDerWaalsContact C-N 3.27Å; I554-K556 PolarHBondContact O-N 3.11Å; I554-H557 PolarHBondContact O-N 3.13Å; I554-V558 HydrophobicContact CG2-CG2 4.19Å; I554-V558 VanDerWaalsContact O-CG2 3.3Å; I554-V558 WeakPolarHBondContact O-CG2 3.49Å; I554-V558 PolarHBondContact O-N 3.38Å; I554-F602 HydrophobicContact CD1-CD1 3.73Å; I554-F602 HydrophobicContact CD1-CD2 4.33Å; I554-F602 HydrophobicContact CD1-CE1 3.79Å; I554-F602 HydrophobicContact CD1-CE2 4.38Å; I554-F602 HydrophobicContact CD1-CG 4Å; I554-F602 HydrophobicContact CD1-CZ 4.11Å; I554-F602 HydrophobicContact CG1-CD1 4.49Å; I554-F602 HydrophobicContact CG1-CE1 4.06Å; I554-F602 HydrophobicContact CG1-CZ 4.22Å; I554-F602 HydrophobicContact CG2-CE2 3.98Å; I554-F602 HydrophobicContact CG2-CZ 3.83Å
555	V	91.7	Very high	87.9	Confident	77 Å²	77	56.5 Å²	56.5	47%	0.467	33%	0.333	S	S	.	.	H	α-helix	trans	-60.3	-40.3	-178.8	172.1	0	0	0	0	110.9	L531 K551 A552 E553 V558 A559	L531-V555 HydrophobicContact CD1-CG2 4.18Å; K551-V555 WeakPolarHBondContact O-CG2 3.42Å; K551-V555 PolarHBondContact O-N 2.96Å; K551-V555 VanDerWaalsContact O-N 3.09Å; A552-V555 PolarHBondContact O-N 3.12Å; E553-V555 PolarHBondContact O-N 3.44Å; V555-V558 PolarHBondContact O-N 3.46Å; V555-A559 WeakPolarHBondContact O-CB 3.32Å; V555-A559 PolarHBondContact O-N 2.85Å
556	K	91.7	Very high	86.9	Confident	122 Å²	122	53.6 Å²	53.6	53%	0.53	31%	0.313	S	S	.	.	H	α-helix	trans	-60.4	-47.5	175	174.5	-173.8	164.5	-154.8	0	112.2	A552 E553 I554 A559 S560	A552-K556 WeakPolarHBondContact O-CB 3.48Å; A552-K556 PolarHBondContact O-N 3.38Å; E553-K556 WeakPolarHBondContact O-CB 3.42Å; E553-K556 PolarHBondContact O-N 2.81Å; E553-K556 IonicContact OE1-NZ 3.53Å; E553-K556 PolarHBondContact OE1-NZ 3.29Å; E553-K556 IonicContact OE2-NZ 3.6Å; E553-K556 PolarHBondContact OE2-NZ 3.33Å; I554-K556 VanDerWaalsContact C-N 3.27Å; I554-K556 PolarHBondContact O-N 3.11Å; K556-A559 PolarHBondContact O-N 2.91Å; K556-S560 PolarHBondContact O-N 3.12Å
557	H	91.4	Very high	86.3	Confident	30 Å²	30	52.6 Å²	52.6	14%	0.139	31%	0.308	C	S	.	.	H	α-helix	trans	-67.2	-39.1	177.8	-71.6	-63.8	0	0	0	112.8	F367 H381 E553 I554 A559 S560 Y561	F367-H557 HydrophobicContact CD1-CB 4.34Å; F367-H557 HydrophobicContact CE1-CB 3.73Å; F367-H557 HydrophobicContact CE2-CB 4.46Å; F367-H557 HydrophobicContact CZ-CB 3.81Å; H381-H557 AromaticContact CE1-CE1 3.8Å; H381-H557 AromaticContact CE1-CG 3.87Å; H381-H557 AromaticContact CE1-ND1 3.35Å; H381-H557 PolarHBondContact CE1-ND1 2.69Å; H381-H557 VanDerWaalsContact CE1-ND1 3.35Å; H381-H557 AromaticContact NE2-CE1 3.23Å; H381-H557 PolarHBondContact NE2-CE1 3.16Å; H381-H557 AromaticContact NE2-ND1 3.27Å; H381-H557 PolarHBondContact NE2-ND1 3.13Å; H381-H557 AromaticContact NE2-NE2 3.95Å; E553-H557 PolarHBondContact O-CD2 3.37Å; E553-H557 PolarHBondContact O-N 3.38Å; E553-H557 IonicContact OE1-NE2 2.74Å; E553-H557 PolarHBondContact OE1-NE2 3.48Å; I554-H557 PolarHBondContact O-N 3.13Å; H557-A559 VanDerWaalsContact C-N 3.33Å; H557-A559 PolarHBondContact O-N 2.81Å; H557-S560 WeakPolarHBondContact O-CB 3.22Å; H557-S560 PolarHBondContact O-N 2.86Å; H557-Y561 PolarHBondContact O-N 3.28Å
558	V	90	Very high	86	Confident	24 Å²	24	51.4 Å²	51.4	15%	0.145	30%	0.301	C	S	.	.	H	α-helix	trans	-60.3	-44.3	173.2	170.3	0	0	0	0	110.8	F367 P527 I554 V555 Y561 G562 C570 V605	F367-V558 HydrophobicContact CE1-CG2 4.4Å; F367-V558 HydrophobicContact CZ-CG2 4.2Å; P527-V558 HydrophobicContact CB-CG1 3.83Å; P527-V558 HydrophobicContact CB-CG2 4.13Å; P527-V558 HydrophobicContact CG-CG1 3.8Å; P527-V558 HydrophobicContact CG-CG2 4.38Å; I554-V558 HydrophobicContact CG2-CG2 4.19Å; I554-V558 VanDerWaalsContact O-CG2 3.3Å; I554-V558 WeakPolarHBondContact O-CG2 3.49Å; I554-V558 PolarHBondContact O-N 3.38Å; V555-V558 PolarHBondContact O-N 3.46Å; V558-Y561 PolarHBondContact O-N 3.23Å; V558-G562 PolarHBondContact O-N 2.66Å; V558-C570 HydrophobicContact CG1-CB 4.09Å; V558-V605 HydrophobicContact CG2-CG1 4.3Å; V558-V605 HydrophobicContact CG2-CG2 3.91Å
559	A	86.4	Confident	85.9	Confident	46 Å²	46	51.9 Å²	51.9	38%	0.38	29%	0.288	S	S	.	.	H	α-helix	trans	-62.2	-43.8	175.7	0	0	0	0	0	111.3	V555 K556 H557 Y561 G562 T563	V555-A559 WeakPolarHBondContact O-CB 3.32Å; V555-A559 PolarHBondContact O-N 2.85Å; K556-A559 PolarHBondContact O-N 2.91Å; H557-A559 VanDerWaalsContact C-N 3.33Å; H557-A559 PolarHBondContact O-N 2.81Å; A559-Y561 VanDerWaalsContact C-N 3.33Å; A559-Y561 PolarHBondContact O-N 3.05Å; A559-G562 PolarHBondContact O-N 3.13Å; A559-T563 WeakPolarHBondContact O-CB 3.15Å; A559-T563 PolarHBondContact O-N 3.13Å; A559-T563 PolarHBondContact O-OG1 2.65Å
560	S	87.9	Confident	86	Confident	70 Å²	70	49.9 Å²	49.9	49%	0.49	28%	0.276	S	S	.	.	H	α-helix	trans	-59.7	-41.3	175.9	-176.6	0	0	0	0	112.5	K556 H557 G564	K556-S560 PolarHBondContact O-N 3.12Å; H557-S560 WeakPolarHBondContact O-CB 3.22Å; H557-S560 PolarHBondContact O-N 2.86Å; S560-G564 VanDerWaalsContact O-CA 3.22Å; S560-G564 WeakPolarHBondContact O-CA 3.28Å; S560-G564 PolarHBondContact O-N 2.89Å
561	Y	88.6	Confident	86.2	Confident	10 Å²	10	50.7 Å²	50.7	4%	0.039	28%	0.28	C	S	.	.	H	α-helix	trans	-68.4	-44.7	176.6	-83	18.8	0	0	0	111.2	R365 M366 F367 H381 H557 V558 A559 T567 L568 C570	R365-Y561 HydrophobicContact CB-CD2 4.25Å; R365-Y561 HydrophobicContact CB-CE1 4.43Å; R365-Y561 HydrophobicContact CB-CE2 3.46Å; R365-Y561 VanDerWaalsContact CB-CE2 3.46Å; M366-Y561 PolarHBondContact O-OH 3.05Å; F367-Y561 HydrophobicContact CD1-CD2 4.42Å; F367-Y561 AromaticContact CD1-CE2 3.85Å; F367-Y561 HydrophobicContact CD1-CE2 3.85Å; F367-Y561 HydrophobicContact CE1-CE2 4.47Å; H381-Y561 AromaticContact ND1-CE1 3.75Å; H381-Y561 AromaticContact ND1-CZ 3.6Å; H381-Y561 PolarHBondContact ND1-OH 3.45Å; H557-Y561 PolarHBondContact O-N 3.28Å; V558-Y561 PolarHBondContact O-N 3.23Å; A559-Y561 VanDerWaalsContact C-N 3.33Å; A559-Y561 PolarHBondContact O-N 3.05Å; Y561-T567 CarbonylContact O-C 3.56Å; Y561-T567 WeakPolarHBondContact O-CA 3.39Å; Y561-T567 PolarHBondContact O-N 3.02Å; Y561-L568 HydrophobicContact CD2-CD1 3.91Å; Y561-L568 HydrophobicContact CE2-CD1 4.44Å; Y561-L568 HydrophobicContact CG-CD1 4.05Å; Y561-L568 PolarHBondContact O-N 3.45Å; Y561-C570 WeakPolarHBondContact CB-SG 3.4Å
562	G	80.5	Confident	86.4	Confident	28 Å²	28	47.8 Å²	47.8	29%	0.289	27%	0.267	S	S	.	.	H	α-helix	trans	-79.3	-23.9	-174.7	0	0	0	0	0	115.9	V558 A559 L568	V558-G562 PolarHBondContact O-N 2.66Å; A559-G562 PolarHBondContact O-N 3.13Å; G562-L568 WeakPolarHBondContact CA-O 3.35Å
563	T	75.5	Confident	86.8	Confident	112 Å²	112	45 Å²	45	69%	0.687	25%	0.245	S	C	*	.	H	α-helix	trans	-122.7	-11.6	-176.4	63.6	0	0	0	0	114.2	A559	A559-T563 WeakPolarHBondContact O-CB 3.15Å; A559-T563 PolarHBondContact O-N 3.13Å; A559-T563 PolarHBondContact O-OG1 2.65Å
564	G	73.4	Confident	87.1	Confident	26 Å²	26	43 Å²	43	27%	0.268	24%	0.235	S	C	.	.	S	Bend	trans	-79.1	-165.4	176.1	0	0	0	0	0	112.7	S560 D566 T567	S560-G564 VanDerWaalsContact O-CA 3.22Å; S560-G564 WeakPolarHBondContact O-CA 3.28Å; S560-G564 PolarHBondContact O-N 2.89Å; G564-D566 PolarHBondContact O-N 3.42Å; G564-T567 VanDerWaalsContact O-CG2 3.26Å; G564-T567 WeakPolarHBondContact O-CG2 3.38Å; G564-T567 PolarHBondContact O-N 3.1Å; G564-T567 VanDerWaalsContact O-N 3.08Å
565	R	71.8	Confident	87.2	Confident	162 Å²	162	43 Å²	43	61%	0.611	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	-30.9	-177.7	-179	180	171.7	149.6	7.3	114.6	E653	R565-E653 IonicContact CZ-OE1 3.75Å; R565-E653 IonicContact CZ-OE2 3.4Å; R565-E653 VanDerWaalsContact NH1-CD 3.33Å; R565-E653 IonicContact NH1-OE1 3.03Å; R565-E653 PolarHBondContact NH1-OE1 2.98Å; R565-E653 IonicContact NH1-OE2 3.12Å; R565-E653 PolarHBondContact NH1-OE2 3.07Å; R565-E653 IonicContact NH2-OE1 2.84Å; R565-E653 PolarHBondContact NH2-OE1 3.32Å
566	D	71.6	Confident	87.3	Confident	24 Å²	24	39.7 Å²	39.7	13%	0.128	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-23.7	-176.1	-68.4	-45.6	0	0	0	113.5	R365 G564 L568 R647	R365-D566 IonicContact CZ-OD2 2.76Å; R365-D566 IonicContact NE-OD2 2.93Å; R365-D566 PolarHBondContact NE-OD2 3.16Å; R365-D566 IonicContact NH2-OD2 3.99Å; G564-D566 PolarHBondContact O-N 3.42Å; D566-L568 VanDerWaalsContact C-N 3.26Å; D566-L568 HydrophobicContact CB-CD1 3.95Å; D566-L568 HydrophobicContact CB-CD2 3.76Å; D566-L568 HydrophobicContact CB-CG 3.55Å; D566-L568 PolarHBondContact O-N 3.39Å; D566-R647 IonicContact OD1-NH1 3.26Å; D566-R647 PolarHBondContact OD1-NH1 3.16Å
567	T	79.3	Confident	87.2	Confident	10 Å²	10	34.4 Å²	34.4	6%	0.061	19%	0.193	C	C	.	.			trans	41.1	49.1	-176.8	53.4	0	0	0	0	114.7	Y561 G564 A643	Y561-T567 CarbonylContact O-C 3.56Å; Y561-T567 WeakPolarHBondContact O-CA 3.39Å; Y561-T567 PolarHBondContact O-N 3.02Å; G564-T567 VanDerWaalsContact O-CG2 3.26Å; G564-T567 WeakPolarHBondContact O-CG2 3.38Å; G564-T567 PolarHBondContact O-N 3.1Å; G564-T567 VanDerWaalsContact O-N 3.08Å; T567-A643 HydrophobicContact CG2-CB 3.45Å; T567-A643 VanDerWaalsContact CG2-CB 3.45Å; T567-A643 VanDerWaalsContact OG1-CB 3.27Å; T567-A643 WeakPolarHBondContact OG1-CB 3.34Å
568	L	87.5	Confident	87.1	Confident	6 Å²	6	37.2 Å²	37.2	3%	0.031	22%	0.221	C	C	.	.			trans	-77	141.1	-173.4	-54.9	177.1	0	0	0	112.1	C364 R365 Y561 G562 D566 C570 M608 L609	C364-L568 HydrophobicContact CB-CD2 4.46Å; R365-L568 HydrophobicContact CB-CD1 3.8Å; R365-L568 HydrophobicContact CG-CD1 4.01Å; Y561-L568 HydrophobicContact CD2-CD1 3.91Å; Y561-L568 HydrophobicContact CE2-CD1 4.44Å; Y561-L568 HydrophobicContact CG-CD1 4.05Å; Y561-L568 PolarHBondContact O-N 3.45Å; G562-L568 WeakPolarHBondContact CA-O 3.35Å; D566-L568 VanDerWaalsContact C-N 3.26Å; D566-L568 HydrophobicContact CB-CD1 3.95Å; D566-L568 HydrophobicContact CB-CD2 3.76Å; D566-L568 HydrophobicContact CB-CG 3.55Å; D566-L568 PolarHBondContact O-N 3.39Å; L568-C570 PolarHBondContact O-N 3.35Å; L568-C570 PolarHBondContact O-SG 2.99Å; L568-M608 CarbonylContact C-O 3.6Å; L568-L609 HydrophobicContact CD2-CB 3.85Å; L568-L609 HydrophobicContact CD2-CD2 3.42Å; L568-L609 VanDerWaalsContact CD2-CD2 3.42Å; L568-L609 HydrophobicContact CD2-CG 4.25Å
569	R	87.7	Confident	87.2	Confident	119 Å²	119	36.8 Å²	36.8	45%	0.449	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	110.8	161.5	-179.6	175.9	-178.2	156.9	-3.2	109	T441 G607 M608	T441-R569 PolarHBondContact OG1-NH1 2.81Å; R569-G607 WeakPolarHBondContact O-CA 3.32Å; R569-M608 HydrophobicContact CB-CG 3.92Å; R569-M608 WeakPolarHBondContact CB-O 3.44Å; R569-M608 HydrophobicContact CG-CG 4.35Å; R569-M608 PolarHBondContact N-O 2.69Å; R569-M608 WeakPolarHBondContact O-CG 3.34Å; R569-M608 PolarHBondContact O-N 3.17Å
570	C	92.5	Very high	87.4	Confident	18 Å²	18	37.4 Å²	37.4	12%	0.122	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	134.5	-179	-63.7	0	0	0	0	111.9	P527 V558 Y561 L568 V605 V606	P527-C570 WeakPolarHBondContact CD-O 3.29Å; P527-C570 HydrophobicContact CG-CB 3.97Å; V558-C570 HydrophobicContact CG1-CB 4.09Å; Y561-C570 WeakPolarHBondContact CB-SG 3.4Å; L568-C570 PolarHBondContact O-N 3.35Å; L568-C570 PolarHBondContact O-SG 2.99Å; C570-V605 HydrophobicContact CB-CG1 4.06Å; C570-V606 CarbonylContact C-O 3.51Å; C570-V606 WeakPolarHBondContact CA-O 3.49Å
571	L	95.6	Very high	87.4	Confident	19 Å²	19	38.5 Å²	38.5	10%	0.099	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	128.7	166.7	-79.7	173.1	0	0	0	109.5	T441 L445 G525 V605 V606 M608	T441-L571 HydrophobicContact CG2-CD1 3.77Å; L445-L571 HydrophobicContact CD1-CD1 4.32Å; G525-L571 WeakPolarHBondContact O-CD2 3.43Å; L571-V605 WeakPolarHBondContact O-CA 3.48Å; L571-V606 HydrophobicContact CB-CG2 3.88Å; L571-V606 PolarHBondContact N-O 3.16Å; L571-V606 PolarHBondContact O-N 2.93Å; L571-M608 HydrophobicContact CD1-CE 3.79Å; L571-M608 HydrophobicContact CG-CE 4.48Å
572	A	97.1	Very high	87.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	137.8	169.6	0	0	0	0	0	109.9	K524 G525 P527 V530 F602 V605	K524-A572 WeakPolarHBondContact CA-O 3.26Å; G525-A572 PolarHBondContact N-O 2.95Å; G525-A572 VanDerWaalsContact N-O 3.12Å; G525-A572 PolarHBondContact O-N 2.98Å; P527-A572 HydrophobicContact CB-CB 4.24Å; P527-A572 HydrophobicContact CG-CB 4.38Å; V530-A572 HydrophobicContact CB-CB 4.07Å; V530-A572 HydrophobicContact CG1-CB 4.15Å; A572-F602 HydrophobicContact CB-CE2 4.43Å; A572-V605 HydrophobicContact CB-CG2 4.36Å
573	L	98.2	Very high	87.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.2	179.1	-54.9	-179.7	0	0	0	108.5	V413 I416 K524 V603 G604 V606	V413-L573 HydrophobicContact CB-CD1 4.34Å; V413-L573 HydrophobicContact CG1-CD1 3.73Å; V413-L573 HydrophobicContact CG2-CD1 4.25Å; I416-L573 HydrophobicContact CD1-CB 4.12Å; I416-L573 HydrophobicContact CG2-CB 4.13Å; I416-L573 HydrophobicContact CG2-CD2 3.92Å; I416-L573 HydrophobicContact CG2-CG 4.45Å; K524-L573 HydrophobicContact CB-CD2 3.78Å; L573-V603 PolarHBondContact O-N 2.7Å; L573-G604 PolarHBondContact N-O 3.44Å; L573-G604 PolarHBondContact O-N 3.33Å; L573-V606 HydrophobicContact CD1-CG1 3.94Å
574	A	97.2	Very high	88.4	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	166.7	-178.6	0	0	0	0	0	111.1	V523 V530 L600 T601	V523-A574 HydrophobicContact CB-CB 4.39Å; V523-A574 PolarHBondContact N-O 3.24Å; V523-A574 PolarHBondContact O-N 3.18Å; V523-A574 VanDerWaalsContact O-O 3.13Å; V530-A574 HydrophobicContact CG1-CB 3.72Å; A574-L600 HydrophobicContact CB-CB 4.2Å; A574-L600 HydrophobicContact CB-CD1 4.34Å; A574-T601 CarbonylContact C-O 3.28Å; A574-T601 VanDerWaalsContact CA-O 3.25Å; A574-T601 WeakPolarHBondContact CA-O 3.36Å; A574-T601 WeakPolarHBondContact CB-O 3.05Å
575	T	95.9	Very high	89.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141.4	176.6	-176.2	0	0	0	0	110.8	E412 M521 F522 R538 D577 T601 V603	E412-T575 WeakPolarHBondContact OE1-CG2 3.36Å; M521-T575 CarbonylContact O-C 3.45Å; M521-T575 VanDerWaalsContact O-CA 3.26Å; M521-T575 WeakPolarHBondContact O-CA 3.43Å; M521-T575 PolarHBondContact O-OG1 2.97Å; F522-T575 WeakPolarHBondContact CD1-OG1 3.33Å; R538-T575 VanDerWaalsContact NH2-CG2 3.26Å; T575-D577 WeakPolarHBondContact CG2-OD1 3.26Å; T575-T601 PolarHBondContact N-O 2.7Å; T575-T601 PolarHBondContact O-N 3.19Å; T575-V603 HydrophobicContact CG2-CG2 3.97Å
576	C	94.1	Very high	90	Very high	7 Å²	7	41.8 Å²	41.8	5%	0.047	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	110.9	163	-164.7	0	0	0	0	107.7	M521 A578 P579 L600	M521-C576 HydrophobicContact CB-CB 3.77Å; M521-C576 PolarHBondContact N-O 2.87Å; M521-C576 VanDerWaalsContact N-O 3.13Å; M521-C576 PolarHBondContact O-N 3.46Å; C576-A578 VanDerWaalsContact C-N 3.29Å; C576-A578 PolarHBondContact O-N 3.12Å; C576-P579 HydrophobicContact CB-CB 4.44Å; C576-L600 HydrophobicContact CB-CD2 3.79Å
577	D	90	Very high	90.8	Very high	12 Å²	12	44.4 Å²	44.4	6%	0.064	25%	0.248	C	C	.	.	S	Bend	trans	-71.1	-25.2	-176.5	-67.1	-42	0	0	0	113.3	A512 R520 R538 K543 T575 T601	A512-D577 HydrophobicContact CB-CB 4.49Å; R520-D577 IonicContact CZ-OD1 2.71Å; R520-D577 IonicContact NH1-OD1 2.76Å; R520-D577 PolarHBondContact NH1-OD1 3.3Å; R538-D577 IonicContact CZ-OD1 2.65Å; R538-D577 IonicContact CZ-OD2 3.13Å; R538-D577 IonicContact NH1-OD1 3.19Å; R538-D577 IonicContact NH1-OD2 2.74Å; R538-D577 IonicContact NH2-OD1 3.92Å; R538-D577 PolarHBondContact NH2-OD1 3.32Å; R538-D577 IonicContact NH2-OD2 2.71Å; R538-D577 PolarHBondContact NH2-OD2 2.74Å; K543-D577 WeakPolarHBondContact CD-OD2 3.23Å; T575-D577 WeakPolarHBondContact CG2-OD1 3.26Å; D577-T601 PolarHBondContact OD2-OG1 3.14Å
578	A	88.9	Confident	90.9	Very high	88 Å²	88	53 Å²	53	73%	0.727	29%	0.288	S	S	*	.	S	Bend	trans	-140.5	75.4	-179.9	0	0	0	0	0	109.5	C576	C576-A578 VanDerWaalsContact C-N 3.29Å; C576-A578 PolarHBondContact O-N 3.12Å
579	P	91.2	Very high	90.6	Very high	16 Å²	16	55.1 Å²	55.1	10%	0.104	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-68.9	156.9	-178.7	31.6	-35.4	0	0	0	111.4	Y497 P519 M521 C576	Y497-P579 HydrophobicContact CD2-CB 4.21Å; Y497-P579 HydrophobicContact CD2-CG 4.25Å; Y497-P579 HydrophobicContact CE2-CB 3.83Å; Y497-P579 HydrophobicContact CE2-CG 3.68Å; P519-P579 HydrophobicContact CB-CG 4.07Å; P519-P579 HydrophobicContact CG-CG 4.13Å; P519-P579 WeakPolarHBondContact O-CD 3.1Å; M521-P579 HydrophobicContact CB-CB 4.11Å; M521-P579 HydrophobicContact CE-CB 3.83Å; C576-P579 HydrophobicContact CB-CB 4.44Å
580	V	90.3	Very high	90.3	Very high	59 Å²	59	50.6 Å²	50.6	36%	0.358	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-58.8	143.3	173.2	-171.1	0	0	0	0	109.6	Y497 K582 Q584	Y497-V580 WeakPolarHBondContact CE2-O 3.47Å; V580-K582 PolarHBondContact O-N 3.4Å; V580-Q584 HydrophobicContact CG1-CB 3.91Å; V580-Q584 VanDerWaalsContact CG1-OE1 3.27Å
581	N	89.1	Confident	89.8	Confident	93 Å²	93	54 Å²	54	50%	0.497	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-58.8	134.1	179.5	-173.2	-47.2	0	0	0	110.7	A583 Q584	N581-A583 PolarHBondContact O-N 3.19Å; N581-A583 PolarHBondContact OD1-N 2.87Å; N581-Q584 WeakPolarHBondContact O-CB 3.29Å; N581-Q584 PolarHBondContact O-N 3Å
582	K	87.7	Confident	89.4	Confident	98 Å²	98	56.2 Å²	56.2	43%	0.426	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-48.9	-33.3	179.8	66.2	173.8	176.3	178.9	0	114.9	E482 F483 V580 Q584 M585	E482-K582 IonicContact OE2-NZ 3.19Å; E482-K582 PolarHBondContact OE2-NZ 2.75Å; F483-K582 HydrophobicContact CE1-CB 3.94Å; F483-K582 HydrophobicContact CZ-CB 4.31Å; V580-K582 PolarHBondContact O-N 3.4Å; K582-Q584 PolarHBondContact O-N 3.21Å; K582-M585 PolarHBondContact O-N 2.87Å; K582-M585 VanDerWaalsContact O-N 3.15Å
583	A	88.1	Confident	89.1	Confident	92 Å²	92	56.4 Å²	56.4	76%	0.76	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-67.8	-17	179.2	0	0	0	0	0	113.9	N581	N581-A583 PolarHBondContact O-N 3.19Å; N581-A583 PolarHBondContact OD1-N 2.87Å
584	Q	90	Very high	88.7	Confident	144 Å²	144	58.4 Å²	58.4	67%	0.673	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-99.4	1.5	177.8	-60.9	176.2	-12	0	0	112.2	V580 N581 K582	V580-Q584 HydrophobicContact CG1-CB 3.91Å; V580-Q584 VanDerWaalsContact CG1-OE1 3.27Å; N581-Q584 WeakPolarHBondContact O-CB 3.29Å; N581-Q584 PolarHBondContact O-N 3Å; K582-Q584 PolarHBondContact O-N 3.21Å
585	M	90.7	Very high	88.4	Confident	16 Å²	16	65.5 Å²	65.5	8%	0.079	36%	0.359	C	S	.	.			trans	-99.6	118.6	-178.5	-54.2	-179.3	88.4	0	0	109.1	F483 L485 Y497 M521 K582 L587 Y596	F483-M585 HydrophobicContact CE2-CE 4.48Å; F483-M585 HydrophobicContact CE2-SD 4.21Å; F483-M585 HydrophobicContact CZ-SD 3.74Å; L485-M585 HydrophobicContact CD1-CE 4.31Å; Y497-M585 HydrophobicContact CD2-SD 4.09Å; Y497-M585 HydrophobicContact CE2-SD 4.19Å; M521-M585 HydrophobicContact CE-CE 3.59Å; K582-M585 PolarHBondContact O-N 2.87Å; K582-M585 VanDerWaalsContact O-N 3.15Å; M585-L587 HydrophobicContact CB-CD2 3.99Å; M585-L587 PolarHBondContact O-N 2.9Å; M585-Y596 HydrophobicContact CB-CE1 4.5Å; M585-Y596 HydrophobicContact CB-CE2 4.17Å; M585-Y596 VanDerWaalsContact CE-CB 3.44Å; M585-Y596 HydrophobicContact CE-CD1 3.99Å; M585-Y596 HydrophobicContact CE-CD2 3.54Å; M585-Y596 HydrophobicContact CE-CE2 4.31Å; M585-Y596 HydrophobicContact CE-CG 3.38Å; M585-Y596 HydrophobicContact CG-CD1 4.47Å; M585-Y596 HydrophobicContact CG-CE1 4.44Å
586	D	88.4	Confident	88.3	Confident	57 Å²	57	66.7 Å²	66.7	31%	0.305	36%	0.363	S	S	.	.			trans	-80.2	108.8	165.1	-178.5	-5.1	0	0	0	108.7	E588 D589 K592 Y596	D586-E588 PolarHBondContact OD1-N 2.83Å; D586-D589 PolarHBondContact OD1-N 2.79Å; D586-K592 HydrophobicContact CB-CD 3.92Å; D586-K592 IonicContact OD2-NZ 3.66Å; D586-K592 PolarHBondContact OD2-NZ 2.84Å; D586-Y596 PolarHBondContact N-OH 2.78Å; D586-Y596 PolarHBondContact O-OH 3.45Å
587	L	86.9	Confident	88.3	Confident	79 Å²	79	66.4 Å²	66.4	41%	0.414	36%	0.361	S	S	.	.	S	Bend	trans	-88.4	-11.6	-177.2	-56.2	-178.1	0	0	0	112.8	F483 L485 M585 F593	F483-L587 HydrophobicContact CB-CD1 4.46Å; F483-L587 HydrophobicContact CD1-CD1 4.02Å; F483-L587 HydrophobicContact CD2-CD1 4.22Å; F483-L587 HydrophobicContact CD2-CD2 3.79Å; F483-L587 HydrophobicContact CE1-CD1 4.31Å; F483-L587 HydrophobicContact CE2-CD1 4.48Å; F483-L587 HydrophobicContact CE2-CD2 3.56Å; F483-L587 HydrophobicContact CG-CD1 3.98Å; F483-L587 HydrophobicContact CG-CD2 4.39Å; F483-L587 HydrophobicContact CZ-CD2 3.99Å; L485-L587 HydrophobicContact CD2-CD2 3.86Å; M585-L587 HydrophobicContact CB-CD2 3.99Å; M585-L587 PolarHBondContact O-N 2.9Å; L587-F593 WeakPolarHBondContact O-CZ 3.23Å
588	E	82	Confident	88.5	Confident	190 Å²	190	69.5 Å²	69.5	89%	0.888	38%	0.375	S	S	*	.	S	Bend	trans	-84.6	-27.8	179.1	-62.9	-175	175.6	0	0	111.5	D586	D586-E588 PolarHBondContact OD1-N 2.83Å
589	D	81.8	Confident	88.7	Confident	51 Å²	51	70.4 Å²	70.4	27%	0.273	37%	0.368	S	S	.	.			trans	-97.8	95.4	179	-175.9	1.5	0	0	0	112.7	D586 T591 K592 F593	D586-D589 PolarHBondContact OD1-N 2.79Å; D589-T591 VanDerWaalsContact CG-OG1 3.29Å; D589-T591 PolarHBondContact O-N 3.2Å; D589-T591 VanDerWaalsContact O-N 3.14Å; D589-T591 WeakPolarHBondContact OD1-CB 3.3Å; D589-T591 PolarHBondContact OD1-N 3.47Å; D589-T591 PolarHBondContact OD1-OG1 3.08Å; D589-T591 PolarHBondContact OD2-OG1 3.1Å; D589-K592 HydrophobicContact CB-CD 4.08Å; D589-K592 HydrophobicContact CB-CG 4.38Å; D589-K592 PolarHBondContact O-N 2.88Å; D589-K592 VanDerWaalsContact O-N 3.11Å; D589-K592 WeakPolarHBondContact OD2-CE 3.4Å; D589-K592 IonicContact OD2-NZ 3.64Å; D589-F593 WeakPolarHBondContact O-CE1 3.31Å
590	S	81.8	Confident	89	Confident	24 Å²	24	69.6 Å²	69.6	17%	0.168	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-60.3	-22	178.4	60.3	0	0	0	0	114.8	T171 K592 F593	T171-S590 VanDerWaalsContact CG2-CB 3.44Å; T171-S590 WeakPolarHBondContact CG2-OG 3.18Å; S590-K592 PolarHBondContact O-N 3.23Å; S590-F593 WeakPolarHBondContact O-CB 3.19Å; S590-F593 WeakPolarHBondContact O-CG 3.3Å; S590-F593 PolarHBondContact O-N 2.85Å; S590-F593 VanDerWaalsContact O-N 3.17Å
591	T	81.1	Confident	89.2	Confident	89 Å²	89	66.8 Å²	66.8	55%	0.546	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-68.8	-20.7	178.1	72.7	0	0	0	0	112.4	D589	D589-T591 VanDerWaalsContact CG-OG1 3.29Å; D589-T591 PolarHBondContact O-N 3.2Å; D589-T591 VanDerWaalsContact O-N 3.14Å; D589-T591 WeakPolarHBondContact OD1-CB 3.3Å; D589-T591 PolarHBondContact OD1-N 3.47Å; D589-T591 PolarHBondContact OD1-OG1 3.08Å; D589-T591 PolarHBondContact OD2-OG1 3.1Å
592	K	87.4	Confident	89.6	Confident	65 Å²	65	62.4 Å²	62.4	28%	0.283	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-82.7	-15.2	176.6	-66.8	173.6	-175.4	162.1	0	112.9	D586 D589 S590 V594 K595 Y596	D586-K592 HydrophobicContact CB-CD 3.92Å; D586-K592 IonicContact OD2-NZ 3.66Å; D586-K592 PolarHBondContact OD2-NZ 2.84Å; D589-K592 HydrophobicContact CB-CD 4.08Å; D589-K592 HydrophobicContact CB-CG 4.38Å; D589-K592 PolarHBondContact O-N 2.88Å; D589-K592 VanDerWaalsContact O-N 3.11Å; D589-K592 WeakPolarHBondContact OD2-CE 3.4Å; D589-K592 IonicContact OD2-NZ 3.64Å; S590-K592 PolarHBondContact O-N 3.23Å; K592-V594 PolarHBondContact O-N 2.82Å; K592-K595 WeakPolarHBondContact O-CB 3.02Å; K592-K595 PolarHBondContact O-N 2.77Å; K592-Y596 HydrophobicContact CB-CE2 3.93Å; K592-Y596 WeakPolarHBondContact CB-OH 3.1Å; K592-Y596 PolarHBondContact O-N 2.84Å
593	F	90.6	Very high	90	Very high	5 Å²	5	57.8 Å²	57.8	2%	0.022	30%	0.302	C	S	.	.	H	α-helix	trans	-60.3	-34.5	-173.4	-63.8	-3.3	0	0	0	112.4	L485 E486 L587 D589 S590 K595 Y596 E597	L485-F593 HydrophobicContact CB-CB 4.43Å; L485-F593 HydrophobicContact CB-CD2 3.84Å; L485-F593 HydrophobicContact CB-CE2 4.24Å; L485-F593 HydrophobicContact CB-CG 4.08Å; L485-F593 HydrophobicContact CD1-CB 4.18Å; L485-F593 HydrophobicContact CD1-CD1 4.4Å; L485-F593 HydrophobicContact CD1-CG 4.22Å; L485-F593 HydrophobicContact CD2-CD1 3.94Å; L485-F593 HydrophobicContact CD2-CD2 4.37Å; L485-F593 HydrophobicContact CD2-CE1 3.91Å; L485-F593 HydrophobicContact CD2-CE2 4.34Å; L485-F593 HydrophobicContact CD2-CG 4.19Å; L485-F593 HydrophobicContact CD2-CZ 4.11Å; L485-F593 HydrophobicContact CG-CG 4.4Å; E486-F593 HydrophobicContact CG-CE2 4.18Å; L587-F593 WeakPolarHBondContact O-CZ 3.23Å; D589-F593 WeakPolarHBondContact O-CE1 3.31Å; S590-F593 WeakPolarHBondContact O-CB 3.19Å; S590-F593 WeakPolarHBondContact O-CG 3.3Å; S590-F593 PolarHBondContact O-N 2.85Å; S590-F593 VanDerWaalsContact O-N 3.17Å; F593-K595 PolarHBondContact O-N 3.32Å; F593-Y596 HydrophobicContact CD1-CD2 4.08Å; F593-Y596 HydrophobicContact CD1-CE2 4.01Å; F593-Y596 PolarHBondContact O-N 3.26Å; F593-Y596 VanDerWaalsContact O-N 3.1Å; F593-E597 PolarHBondContact O-N 3.14Å
594	V	88.8	Confident	90.4	Very high	42 Å²	42	53.4 Å²	53.4	26%	0.255	27%	0.266	S	S	.	.	H	α-helix	trans	-60.4	-29.8	174.7	72.7	0	0	0	0	113.1	R491 K592 Q598	R491-V594 HydrophobicContact CB-CB 4.12Å; R491-V594 HydrophobicContact CB-CG2 3.99Å; K592-V594 PolarHBondContact O-N 2.82Å; V594-Q598 WeakPolarHBondContact O-CG 3.49Å; V594-Q598 PolarHBondContact O-NE2 3.1Å
595	K	92	Very high	90.7	Very high	149 Å²	149	46.6 Å²	46.6	65%	0.648	23%	0.234	S	C	*	.	H	α-helix	trans	-76.7	-28.1	177.8	-60.7	-178.2	-179.8	175.5	0	112.1	K592 F593 Q598	K592-K595 WeakPolarHBondContact O-CB 3.02Å; K592-K595 PolarHBondContact O-N 2.77Å; F593-K595 PolarHBondContact O-N 3.32Å; K595-Q598 VanDerWaalsContact O-CG 3.26Å; K595-Q598 WeakPolarHBondContact O-CG 3.16Å
596	Y	93.5	Very high	91	Very high	25 Å²	25	45.8 Å²	45.8	10%	0.098	23%	0.231	C	C	.	.	H	α-helix	trans	-78.5	-31.9	176.3	-54.7	-32.3	0	0	0	111.9	L485 M585 D586 K592 F593 Q598	L485-Y596 HydrophobicContact CD1-CD2 3.96Å; M585-Y596 HydrophobicContact CB-CE1 4.5Å; M585-Y596 HydrophobicContact CB-CE2 4.17Å; M585-Y596 VanDerWaalsContact CE-CB 3.44Å; M585-Y596 HydrophobicContact CE-CD1 3.99Å; M585-Y596 HydrophobicContact CE-CD2 3.54Å; M585-Y596 HydrophobicContact CE-CE2 4.31Å; M585-Y596 HydrophobicContact CE-CG 3.38Å; M585-Y596 HydrophobicContact CG-CD1 4.47Å; M585-Y596 HydrophobicContact CG-CE1 4.44Å; D586-Y596 PolarHBondContact N-OH 2.78Å; D586-Y596 PolarHBondContact O-OH 3.45Å; K592-Y596 HydrophobicContact CB-CE2 3.93Å; K592-Y596 WeakPolarHBondContact CB-OH 3.1Å; K592-Y596 PolarHBondContact O-N 2.84Å; F593-Y596 HydrophobicContact CD1-CD2 4.08Å; F593-Y596 HydrophobicContact CD1-CE2 4.01Å; F593-Y596 PolarHBondContact O-N 3.26Å; F593-Y596 VanDerWaalsContact O-N 3.1Å; Y596-Q598 PolarHBondContact O-N 3.1Å; Y596-Q598 VanDerWaalsContact O-N 3.13Å
597	E	93.7	Very high	91.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-85.7	48.5	176.8	-65.9	173.9	-176.3	0	0	111.9	R491 S493 S495 M521 R533 F593	R491-E597 WeakPolarHBondContact CD-OE2 3.33Å; R491-E597 IonicContact CZ-OE1 2.58Å; R491-E597 IonicContact CZ-OE2 2.96Å; R491-E597 IonicContact NE-OE1 3.65Å; R491-E597 PolarHBondContact NE-OE1 3.1Å; R491-E597 IonicContact NE-OE2 3.9Å; R491-E597 PolarHBondContact NE-OE2 3.17Å; R491-E597 IonicContact NH2-OE1 3.9Å; R491-E597 PolarHBondContact NH2-OE1 3.42Å; S493-E597 PolarHBondContact OG-OE2 2.87Å; S495-E597 VanDerWaalsContact CB-OE1 3.25Å; S495-E597 WeakPolarHBondContact CB-OE1 3.41Å; S495-E597 WeakPolarHBondContact OG-CG 3.28Å; S495-E597 PolarHBondContact OG-OE1 3.03Å; M521-E597 HydrophobicContact SD-CG 4.15Å; R533-E597 WeakPolarHBondContact CB-O 3.36Å; R533-E597 WeakPolarHBondContact CD-O 3.09Å; R533-E597 IonicContact CZ-OE2 2.79Å; R533-E597 IonicContact NH1-OE2 3.28Å; R533-E597 PolarHBondContact NH1-OE2 2.98Å; R533-E597 IonicContact NH2-OE2 2.88Å; F593-E597 PolarHBondContact O-N 3.14Å
598	Q	94	Very high	91.6	Very high	77 Å²	77	39.3 Å²	39.3	36%	0.36	20%	0.196	S	C	.	.			trans	-112.7	167.1	179.1	-65	-66.9	-25.8	0	0	111.3	V594 K595 Y596 L600	V594-Q598 WeakPolarHBondContact O-CG 3.49Å; V594-Q598 PolarHBondContact O-NE2 3.1Å; K595-Q598 VanDerWaalsContact O-CG 3.26Å; K595-Q598 WeakPolarHBondContact O-CG 3.16Å; Y596-Q598 PolarHBondContact O-N 3.1Å; Y596-Q598 VanDerWaalsContact O-N 3.13Å; Q598-L600 PolarHBondContact O-N 3.31Å
599	N	94.2	Very high	91.8	Very high	107 Å²	107	30.9 Å²	30.9	57%	0.572	16%	0.157	S	C	*	.	S	Bend	trans	53.2	42.3	-179.7	-66	-30.2	0	0	0	113	R533 T535	R533-N599 PolarHBondContact O-N 3.28Å; T535-N599 WeakPolarHBondContact OG1-CA 3.43Å
600	L	96.3	Very high	91.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	155.4	-175.5	-54	178.9	0	0	0	111.7	V523 V530 R533 C534 T535 F536 A574 C576 Q598	V523-L600 HydrophobicContact CB-CD1 4.44Å; V523-L600 HydrophobicContact CG1-CD1 4.23Å; V523-L600 HydrophobicContact CG2-CD1 4.2Å; V523-L600 HydrophobicContact CG2-CD2 3.87Å; V530-L600 HydrophobicContact CG1-CD1 4.39Å; R533-L600 HydrophobicContact CB-CD1 3.96Å; R533-L600 HydrophobicContact CB-CG 4.35Å; R533-L600 WeakPolarHBondContact O-CB 3.46Å; R533-L600 PolarHBondContact O-N 3.35Å; C534-L600 CarbonylContact C-O 3.46Å; C534-L600 VanDerWaalsContact CA-O 3.25Å; C534-L600 WeakPolarHBondContact CA-O 3.46Å; T535-L600 PolarHBondContact N-O 3.34Å; F536-L600 PolarHBondContact N-O 3.46Å; F536-L600 VanDerWaalsContact N-O 3.12Å; A574-L600 HydrophobicContact CB-CB 4.2Å; A574-L600 HydrophobicContact CB-CD1 4.34Å; C576-L600 HydrophobicContact CB-CD2 3.79Å; Q598-L600 PolarHBondContact O-N 3.31Å
601	T	95.9	Very high	91.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	114.7	168.7	-57.3	0	0	0	0	108.4	F536 R538 K543 A574 T575 D577	F536-T601 HydrophobicContact CB-CG2 3.97Å; F536-T601 WeakPolarHBondContact CB-OG1 3.24Å; F536-T601 CarbonylContact O-C 3.57Å; F536-T601 WeakPolarHBondContact O-CA 3.48Å; R538-T601 HydrophobicContact CB-CG2 4.01Å; K543-T601 HydrophobicContact CG-CG2 4.19Å; A574-T601 CarbonylContact C-O 3.28Å; A574-T601 VanDerWaalsContact CA-O 3.25Å; A574-T601 WeakPolarHBondContact CA-O 3.36Å; A574-T601 WeakPolarHBondContact CB-O 3.05Å; T575-T601 PolarHBondContact N-O 2.7Å; T575-T601 PolarHBondContact O-N 3.19Å; D577-T601 PolarHBondContact OD2-OG1 3.14Å
602	F	96.6	Very high	92	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	133.4	174.8	172.2	-96.1	0	0	0	110.3	F367 F369 L531 C534 F536 V537 R538 M546 I554 A572 G604 V605	F367-F602 HydrophobicContact CE2-CE1 4.5Å; F367-F602 HydrophobicContact CE2-CZ 4.02Å; F369-F602 HydrophobicContact CD2-CD1 4.37Å; F369-F602 HydrophobicContact CD2-CE1 4.08Å; F369-F602 HydrophobicContact CE2-CD1 4.41Å; F369-F602 HydrophobicContact CE2-CE1 4.08Å; L531-F602 HydrophobicContact CD2-CD2 3.51Å; L531-F602 HydrophobicContact CD2-CE2 3.92Å; L531-F602 HydrophobicContact CD2-CG 4.14Å; C534-F602 HydrophobicContact CB-CB 4.3Å; F536-F602 PolarHBondContact O-N 2.78Å; V537-F602 HydrophobicContact CG1-CD1 4.26Å; V537-F602 HydrophobicContact CG2-CB 4.4Å; R538-F602 WeakPolarHBondContact CB-O 3.34Å; R538-F602 PolarHBondContact N-O 2.94Å; M546-F602 HydrophobicContact CE-CB 3.84Å; M546-F602 HydrophobicContact CE-CG 4.47Å; I554-F602 HydrophobicContact CD1-CD1 3.73Å; I554-F602 HydrophobicContact CD1-CD2 4.33Å; I554-F602 HydrophobicContact CD1-CE1 3.79Å; I554-F602 HydrophobicContact CD1-CE2 4.38Å; I554-F602 HydrophobicContact CD1-CG 4Å; I554-F602 HydrophobicContact CD1-CZ 4.11Å; I554-F602 HydrophobicContact CG1-CD1 4.49Å; I554-F602 HydrophobicContact CG1-CE1 4.06Å; I554-F602 HydrophobicContact CG1-CZ 4.22Å; I554-F602 HydrophobicContact CG2-CE2 3.98Å; I554-F602 HydrophobicContact CG2-CZ 3.83Å; A572-F602 HydrophobicContact CB-CE2 4.43Å; F602-G604 WeakPolarHBondContact CE2-O 3.28Å; F602-V605 HydrophobicContact CE2-CG2 3.8Å; F602-V605 HydrophobicContact CZ-CG2 3.85Å
603	V	96.2	Very high	91.6	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-45.9	-178.2	-178.1	0	0	0	0	111.6	E412 V413 I416 R538 L573 T575	E412-V603 HydrophobicContact CB-CG1 3.91Å; E412-V603 HydrophobicContact CG-CG1 4.06Å; E412-V603 HydrophobicContact CG-CG2 4.23Å; V413-V603 HydrophobicContact CG2-CG1 3.88Å; I416-V603 HydrophobicContact CD1-CB 3.96Å; I416-V603 HydrophobicContact CD1-CG1 4.22Å; I416-V603 HydrophobicContact CD1-CG2 3.78Å; R538-V603 HydrophobicContact CB-CG2 4.28Å; L573-V603 PolarHBondContact O-N 2.7Å; T575-V603 HydrophobicContact CG2-CG2 3.97Å
604	G	96.4	Very high	91	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.5	-178.8	-178.6	0	0	0	0	0	113.4	F367 L573 F602	F367-G604 VanDerWaalsContact O-CA 3.24Å; F367-G604 WeakPolarHBondContact O-CA 3.36Å; L573-G604 PolarHBondContact N-O 3.44Å; L573-G604 PolarHBondContact O-N 3.33Å; F602-G604 WeakPolarHBondContact CE2-O 3.28Å
605	V	97.1	Very high	90.8	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	141.1	174.5	169.7	0	0	0	0	109.5	M366 F367 V558 C570 L571 A572 F602	M366-V605 CarbonylContact C-O 3.55Å; M366-V605 WeakPolarHBondContact CA-O 3.42Å; M366-V605 WeakPolarHBondContact CB-O 3.21Å; F367-V605 HydrophobicContact CD1-CB 3.9Å; F367-V605 HydrophobicContact CD1-CG1 4.34Å; F367-V605 HydrophobicContact CE1-CB 3.42Å; F367-V605 VanDerWaalsContact CE1-CB 3.42Å; F367-V605 HydrophobicContact CE1-CG1 3.78Å; F367-V605 HydrophobicContact CE1-CG2 3.85Å; F367-V605 HydrophobicContact CE2-CB 4.2Å; F367-V605 HydrophobicContact CE2-CG2 4.12Å; F367-V605 HydrophobicContact CG-CB 4.49Å; F367-V605 HydrophobicContact CZ-CB 3.59Å; F367-V605 HydrophobicContact CZ-CG1 4.31Å; F367-V605 HydrophobicContact CZ-CG2 3.5Å; F367-V605 PolarHBondContact N-O 2.97Å; F367-V605 PolarHBondContact O-N 3.44Å; V558-V605 HydrophobicContact CG2-CG1 4.3Å; V558-V605 HydrophobicContact CG2-CG2 3.91Å; C570-V605 HydrophobicContact CB-CG1 4.06Å; L571-V605 WeakPolarHBondContact O-CA 3.48Å; A572-V605 HydrophobicContact CB-CG2 4.36Å; F602-V605 HydrophobicContact CE2-CG2 3.8Å; F602-V605 HydrophobicContact CZ-CG2 3.85Å
606	V	97.1	Very high	90.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	135.5	168.3	-63.8	0	0	0	0	109.4	V363 M366 V413 L445 L448 C570 L571 L573 M608	V363-V606 HydrophobicContact CG1-CB 4.08Å; V363-V606 HydrophobicContact CG1-CG1 4.46Å; M366-V606 HydrophobicContact CB-CG1 3.96Å; V413-V606 HydrophobicContact CG1-CG1 4.44Å; L445-V606 HydrophobicContact CD2-CG2 3.75Å; L448-V606 HydrophobicContact CD2-CG1 3.78Å; C570-V606 CarbonylContact C-O 3.51Å; C570-V606 WeakPolarHBondContact CA-O 3.49Å; L571-V606 HydrophobicContact CB-CG2 3.88Å; L571-V606 PolarHBondContact N-O 3.16Å; L571-V606 PolarHBondContact O-N 2.93Å; L573-V606 HydrophobicContact CD1-CG1 3.94Å; V606-M608 HydrophobicContact CG2-CE 4.18Å
607	G	94.4	Very high	90.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.6	175.4	0	0	0	0	0	109.9	C364 R365 R569	C364-G607 PolarHBondContact N-O 3.25Å; R365-G607 PolarHBondContact N-O 3.31Å; R365-G607 VanDerWaalsContact N-O 3.17Å; R365-G607 PolarHBondContact O-N 3.12Å; R569-G607 WeakPolarHBondContact O-CA 3.32Å
608	M	92	Very high	90.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	150.1	-179.8	61.5	-170.4	73.8	0	0	111.5	M361 S362 V363 T441 A444 L445 L568 R569 L571 V606	M361-M608 HydrophobicContact CG-CB 4.19Å; M361-M608 HydrophobicContact CG-CG 3.97Å; M361-M608 HydrophobicContact CG-SD 3.67Å; M361-M608 HydrophobicContact SD-CB 4.04Å; M361-M608 HydrophobicContact SD-CG 3.69Å; M361-M608 HydrophobicContact SD-SD 4.09Å; S362-M608 CarbonylContact O-C 3.46Å; S362-M608 WeakPolarHBondContact O-CA 3.44Å; S362-M608 VanDerWaalsContact O-CB 3.28Å; S362-M608 WeakPolarHBondContact O-CB 3.44Å; V363-M608 HydrophobicContact CG2-CB 4.17Å; V363-M608 HydrophobicContact CG2-CE 4.18Å; T441-M608 HydrophobicContact CG2-CE 4.11Å; T441-M608 HydrophobicContact CG2-SD 3.59Å; T441-M608 VanDerWaalsContact CG2-SD 3.59Å; A444-M608 HydrophobicContact CB-SD 4.22Å; L445-M608 HydrophobicContact CD2-CE 3.73Å; L445-M608 HydrophobicContact CG-CE 4.39Å; L568-M608 CarbonylContact C-O 3.6Å; R569-M608 HydrophobicContact CB-CG 3.92Å; R569-M608 WeakPolarHBondContact CB-O 3.44Å; R569-M608 HydrophobicContact CG-CG 4.35Å; R569-M608 PolarHBondContact N-O 2.69Å; R569-M608 WeakPolarHBondContact O-CG 3.34Å; R569-M608 PolarHBondContact O-N 3.17Å; L571-M608 HydrophobicContact CD1-CE 3.79Å; L571-M608 HydrophobicContact CG-CE 4.48Å; V606-M608 HydrophobicContact CG2-CE 4.18Å
609	L	87.2	Confident	90.3	Very high	13 Å²	13	31 Å²	31	7%	0.068	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	172.7	168.7	86.6	128.4	0	0	0	110.7	M361 S362 C364 L568 P611	M361-L609 VanDerWaalsContact SD-C 3.58Å; S362-L609 PolarHBondContact N-O 2.86Å; S362-L609 PolarHBondContact O-N 3.15Å; C364-L609 HydrophobicContact CB-CD2 4.14Å; C364-L609 VanDerWaalsContact SG-CD2 3.53Å; L568-L609 HydrophobicContact CD2-CB 3.85Å; L568-L609 HydrophobicContact CD2-CD2 3.42Å; L568-L609 VanDerWaalsContact CD2-CD2 3.42Å; L568-L609 HydrophobicContact CD2-CG 4.25Å; L609-P611 VanDerWaalsContact O-CD 3.26Å; L609-P611 WeakPolarHBondContact O-CD 3.34Å
610	D	82.9	Confident	90.3	Very high	15 Å²	15	26 Å²	26	8%	0.08	13%	0.128	C	C	.	.			trans	-89.3	96.8	164.9	177.6	24.7	0	0	0	108.9	K352 T357 N359 Q360	K352-D610 IonicContact NZ-OD2 2.71Å; T357-D610 VanDerWaalsContact CB-CG 3.44Å; T357-D610 WeakPolarHBondContact CB-OD1 3.11Å; T357-D610 WeakPolarHBondContact CB-OD2 3.1Å; T357-D610 WeakPolarHBondContact CG2-O 3.29Å; T357-D610 VanDerWaalsContact OG1-CG 3.24Å; T357-D610 PolarHBondContact OG1-OD1 3.44Å; T357-D610 PolarHBondContact OG1-OD2 3.5Å; N359-D610 WeakPolarHBondContact CA-OD1 3.32Å; N359-D610 PolarHBondContact N-OD1 3.17Å; Q360-D610 PolarHBondContact N-OD1 2.8Å
611	P	82.6	Confident	90.1	Very high	11 Å²	11	28.3 Å²	28.3	7%	0.071	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-69.8	145.5	-166.4	29.6	-34.3	0	0	0	112.1	T357 T358 Q360 S387 L609	T357-P611 VanDerWaalsContact CA-O 3.31Å; T357-P611 WeakPolarHBondContact CA-O 3.11Å; T357-P611 WeakPolarHBondContact CB-O 3.43Å; T358-P611 PolarHBondContact N-O 2.78Å; Q360-P611 VanDerWaalsContact O-CD 3.24Å; Q360-P611 WeakPolarHBondContact O-CD 3.34Å; S387-P611 VanDerWaalsContact CB-CG 3.47Å; S387-P611 WeakPolarHBondContact O-CG 3.29Å; L609-P611 VanDerWaalsContact O-CD 3.26Å; L609-P611 WeakPolarHBondContact O-CD 3.34Å
612	P	82.6	Confident	89.9	Confident	19 Å²	19	32 Å²	32	12%	0.123	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-64.7	152	170.7	28.6	-33.5	0	0	0	110.8	L356 R647 I648	L356-P612 WeakPolarHBondContact O-CA 3.22Å; P612-R647 HydrophobicContact CG-CG 4.22Å; P612-I648 HydrophobicContact CB-CG2 3.38Å; P612-I648 HydrophobicContact CG-CG2 4.07Å
613	R	80.2	Confident	89.8	Confident	35 Å²	35	32 Å²	32	13%	0.132	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-68.6	142.3	169.7	-60.4	173.4	-175.2	-96.1	1.6	109.4	G354 T355 L356 T357 T358 E615 V616 D747	G354-R613 PolarHBondContact O-NH2 3.08Å; T355-R613 WeakPolarHBondContact O-CD 3.43Å; T355-R613 PolarHBondContact O-NE 3.31Å; T355-R613 VanDerWaalsContact O-NE 3.1Å; L356-R613 PolarHBondContact O-N 2.99Å; T357-R613 PolarHBondContact O-NE 2.87Å; T358-R613 HydrophobicContact CG2-CG 4.06Å; R613-E615 VanDerWaalsContact C-N 3.32Å; R613-E615 HydrophobicContact CB-CG 4.48Å; R613-E615 PolarHBondContact O-N 2.9Å; R613-V616 HydrophobicContact CB-CG2 3.72Å; R613-V616 PolarHBondContact O-N 2.86Å; R613-D747 PolarHBondContact NE-O 3.42Å; R613-D747 PolarHBondContact NH1-O 2.82Å
614	M	77.8	Confident	89.6	Confident	162 Å²	162	38 Å²	38	80%	0.798	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-38.8	-171.5	-69.1	-175.5	64.8	0	0	111.8	V616	M614-V616 VanDerWaalsContact C-N 3.29Å; M614-V616 PolarHBondContact O-N 3.35Å
615	E	83.5	Confident	89.4	Confident	70 Å²	70	44.3 Å²	44.3	33%	0.327	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-19.1	-178.3	55.6	-84.1	-168.3	0	0	114.4	R613 F617 D618 S619 N748	R613-E615 VanDerWaalsContact C-N 3.32Å; R613-E615 HydrophobicContact CB-CG 4.48Å; R613-E615 PolarHBondContact O-N 2.9Å; E615-F617 VanDerWaalsContact C-N 3.28Å; E615-F617 PolarHBondContact O-N 3.03Å; E615-D618 PolarHBondContact O-N 2.91Å; E615-S619 PolarHBondContact O-N 3.4Å; E615-S619 VanDerWaalsContact O-N 3.12Å; E615-S619 PolarHBondContact O-OG 2.88Å; E615-S619 VanDerWaalsContact O-OG 3.12Å; E615-N748 WeakPolarHBondContact CG-OD1 3.43Å
616	V	89	Confident	89.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.5	-36	-177.4	170.1	0	0	0	0	111.7	L356 R613 M614 D618 S619 I620 I648 F749	L356-V616 HydrophobicContact CD2-CG1 3.72Å; L356-V616 HydrophobicContact CD2-CG2 4.46Å; R613-V616 HydrophobicContact CB-CG2 3.72Å; R613-V616 PolarHBondContact O-N 2.86Å; M614-V616 VanDerWaalsContact C-N 3.29Å; M614-V616 PolarHBondContact O-N 3.35Å; V616-D618 PolarHBondContact O-N 2.71Å; V616-S619 PolarHBondContact O-N 3.31Å; V616-I620 HydrophobicContact CG1-CD1 3.66Å; V616-I620 HydrophobicContact CG1-CG1 4.14Å; V616-I620 WeakPolarHBondContact O-CG1 3.47Å; V616-I620 PolarHBondContact O-N 3.47Å; V616-I648 HydrophobicContact CG1-CB 3.97Å; V616-I648 HydrophobicContact CG1-CD1 4.22Å; V616-I648 HydrophobicContact CG1-CG2 4.13Å; V616-F749 HydrophobicContact CG2-CB 3.86Å
617	F	89.5	Confident	89	Confident	105 Å²	105	46.3 Å²	46.3	46%	0.461	23%	0.231	S	C	.	.	H	α-helix	trans	-60	-48.9	-179.7	-175.7	-87.6	0	0	0	111.6	E615 S619 I620 A621 R647	E615-F617 VanDerWaalsContact C-N 3.28Å; E615-F617 PolarHBondContact O-N 3.03Å; F617-S619 VanDerWaalsContact C-N 3.34Å; F617-S619 PolarHBondContact O-N 3.29Å; F617-I620 PolarHBondContact O-N 3.04Å; F617-A621 PolarHBondContact O-N 3.19Å; F617-R647 WeakPolarHBondContact CD2-O 3.47Å
618	D	91.7	Very high	89.1	Confident	110 Å²	110	46.7 Å²	46.7	59%	0.588	23%	0.233	S	C	*	.	H	α-helix	trans	-66.8	-37.7	179.2	-68.9	-22	0	0	0	111.3	E615 V616 A621 R622	E615-D618 PolarHBondContact O-N 2.91Å; V616-D618 PolarHBondContact O-N 2.71Å; D618-A621 PolarHBondContact O-N 3.03Å; D618-R622 WeakPolarHBondContact O-CG 3.34Å; D618-R622 PolarHBondContact O-N 2.99Å
619	S	93.1	Very high	89.3	Confident	1 Å²	1	49 Å²	49	1%	0.007	24%	0.242	C	C	.	.	H	α-helix	trans	-63.5	-42.2	175.4	-59.5	0	0	0	0	112.6	E615 V616 F617 A621 R622 C623 N750	E615-S619 PolarHBondContact O-N 3.4Å; E615-S619 VanDerWaalsContact O-N 3.12Å; E615-S619 PolarHBondContact O-OG 2.88Å; E615-S619 VanDerWaalsContact O-OG 3.12Å; V616-S619 PolarHBondContact O-N 3.31Å; F617-S619 VanDerWaalsContact C-N 3.34Å; F617-S619 PolarHBondContact O-N 3.29Å; S619-A621 VanDerWaalsContact C-N 3.32Å; S619-A621 PolarHBondContact O-N 3.45Å; S619-R622 WeakPolarHBondContact O-CB 3.47Å; S619-R622 PolarHBondContact O-N 2.77Å; S619-C623 PolarHBondContact O-N 3.28Å; S619-C623 PolarHBondContact O-SG 3.35Å; S619-C623 VanDerWaalsContact O-SG 3.37Å; S619-N750 VanDerWaalsContact OG-CA 3.27Å; S619-N750 WeakPolarHBondContact OG-CA 3.43Å; S619-N750 VanDerWaalsContact OG-CB 3.3Å; S619-N750 WeakPolarHBondContact OG-CB 3.29Å; S619-N750 PolarHBondContact OG-OD1 2.97Å
620	I	93.6	Very high	89.7	Confident	4 Å²	4	48.9 Å²	48.9	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-65.6	-37.5	176.5	-70.4	179.3	0	0	0	110.9	V616 F617 C623 R624 V630 I648 I650 F749	V616-I620 HydrophobicContact CG1-CD1 3.66Å; V616-I620 HydrophobicContact CG1-CG1 4.14Å; V616-I620 WeakPolarHBondContact O-CG1 3.47Å; V616-I620 PolarHBondContact O-N 3.47Å; F617-I620 PolarHBondContact O-N 3.04Å; I620-C623 PolarHBondContact O-N 2.79Å; I620-R624 PolarHBondContact O-N 2.87Å; I620-V630 HydrophobicContact CD1-CG1 4.49Å; I620-V630 HydrophobicContact CG1-CG2 4.49Å; I620-I648 HydrophobicContact CD1-CB 4.02Å; I620-I648 HydrophobicContact CD1-CD1 3.67Å; I620-I648 HydrophobicContact CD1-CG1 3.7Å; I620-I648 WeakPolarHBondContact CD1-O 3.32Å; I620-I650 HydrophobicContact CD1-CD1 4.27Å; I620-I650 HydrophobicContact CD1-CG1 3.74Å; I620-I650 HydrophobicContact CG2-CG1 4.44Å; I620-F749 HydrophobicContact CG1-CE1 4.23Å
621	A	92.5	Very high	90.4	Very high	47 Å²	47	48.2 Å²	48.2	39%	0.388	24%	0.238	S	C	.	.	H	α-helix	trans	-62.7	-42.2	173.1	0	0	0	0	0	112	F617 D618 S619 R624 K625	F617-A621 PolarHBondContact O-N 3.19Å; D618-A621 PolarHBondContact O-N 3.03Å; S619-A621 VanDerWaalsContact C-N 3.32Å; S619-A621 PolarHBondContact O-N 3.45Å; A621-R624 PolarHBondContact O-N 3.39Å; A621-K625 PolarHBondContact O-N 3.01Å
622	R	92.5	Very high	90.9	Very high	78 Å²	78	47.7 Å²	47.7	29%	0.294	23%	0.234	S	C	.	.	H	α-helix	trans	-62.6	-45.6	174.1	-73.3	-177.1	70.1	-165.3	1.8	112.1	D618 S619 R624 K625 S626 V753 E757	D618-R622 WeakPolarHBondContact O-CG 3.34Å; D618-R622 PolarHBondContact O-N 2.99Å; S619-R622 WeakPolarHBondContact O-CB 3.47Å; S619-R622 PolarHBondContact O-N 2.77Å; R622-R624 VanDerWaalsContact C-N 3.31Å; R622-R624 PolarHBondContact O-N 3.18Å; R622-K625 PolarHBondContact O-N 3.29Å; R622-K625 VanDerWaalsContact O-N 3.16Å; R622-S626 PolarHBondContact O-N 2.84Å; R622-S626 PolarHBondContact O-OG 3.46Å; R622-V753 HydrophobicContact CB-CG1 3.99Å; R622-E757 IonicContact CZ-OE2 3.19Å; R622-E757 IonicContact NH2-OE2 2.84Å; R622-E757 PolarHBondContact NH2-OE2 2.81Å
623	C	94.6	Very high	91.4	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.007	23%	0.229	C	C	.	.	H	α-helix	trans	-55.6	-46.5	174.7	-71.6	0	0	0	0	111.5	S619 I620 K625 S626 G627 I628 V630	S619-C623 PolarHBondContact O-N 3.28Å; S619-C623 PolarHBondContact O-SG 3.35Å; S619-C623 VanDerWaalsContact O-SG 3.37Å; I620-C623 PolarHBondContact O-N 2.79Å; C623-K625 VanDerWaalsContact C-N 3.34Å; C623-K625 PolarHBondContact O-N 3.35Å; C623-S626 WeakPolarHBondContact CA-OG 3.1Å; C623-S626 CarbonylContact O-C 3.59Å; C623-S626 PolarHBondContact O-N 3.3Å; C623-S626 PolarHBondContact O-OG 3.31Å; C623-G627 PolarHBondContact O-N 3.32Å; C623-I628 CarbonylContact C-O 3.43Å; C623-I628 HydrophobicContact CB-CB 4.07Å; C623-I628 HydrophobicContact CB-CG2 4.44Å; C623-I628 WeakPolarHBondContact O-CA 3.44Å; C623-I628 PolarHBondContact O-N 3.06Å; C623-V630 HydrophobicContact CB-CG2 3.91Å
624	R	92.4	Very high	91.7	Very high	127 Å²	127	45.1 Å²	45.1	48%	0.479	22%	0.222	S	C	.	.	H	α-helix	trans	-61.5	-42	177.7	-174.2	178.6	-68.9	147.5	2.1	111.9	I620 A621 R622 S626 G627 G649 I650	I620-R624 PolarHBondContact O-N 2.87Å; A621-R624 PolarHBondContact O-N 3.39Å; R622-R624 VanDerWaalsContact C-N 3.31Å; R622-R624 PolarHBondContact O-N 3.18Å; R624-S626 VanDerWaalsContact C-N 3.29Å; R624-S626 PolarHBondContact O-N 3.06Å; R624-G627 PolarHBondContact O-N 3Å; R624-G649 PolarHBondContact NH2-O 3.24Å; R624-I650 PolarHBondContact NH2-O 2.89Å
625	K	92	Very high	91.6	Very high	132 Å²	132	37.8 Å²	37.8	57%	0.574	19%	0.188	S	C	*	.	H	α-helix	trans	-63.9	-34.7	177	-168.9	179.9	177.7	-167.6	0	112.1	A621 R622 C623 G627 E827	A621-K625 PolarHBondContact O-N 3.01Å; R622-K625 PolarHBondContact O-N 3.29Å; R622-K625 VanDerWaalsContact O-N 3.16Å; C623-K625 VanDerWaalsContact C-N 3.34Å; C623-K625 PolarHBondContact O-N 3.35Å; K625-G627 VanDerWaalsContact C-N 3.27Å; K625-G627 PolarHBondContact O-N 3.39Å; K625-E827 WeakPolarHBondContact CE-OE1 3.37Å; K625-E827 IonicContact NZ-OE1 3.66Å; K625-E827 PolarHBondContact NZ-OE1 3.36Å
626	S	92	Very high	91.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	10.5	178.3	68	0	0	0	0	114.4	R622 C623 R624 I628 R760 M826 R828 P830	R622-S626 PolarHBondContact O-N 2.84Å; R622-S626 PolarHBondContact O-OG 3.46Å; C623-S626 WeakPolarHBondContact CA-OG 3.1Å; C623-S626 CarbonylContact O-C 3.59Å; C623-S626 PolarHBondContact O-N 3.3Å; C623-S626 PolarHBondContact O-OG 3.31Å; R624-S626 VanDerWaalsContact C-N 3.29Å; R624-S626 PolarHBondContact O-N 3.06Å; S626-I628 VanDerWaalsContact C-N 3.33Å; S626-I628 PolarHBondContact O-N 2.89Å; S626-I628 WeakPolarHBondContact OG-CD1 3.34Å; S626-I628 WeakPolarHBondContact OG-CG1 3.1Å; S626-R760 PolarHBondContact O-NH2 2.74Å; S626-M826 VanDerWaalsContact CA-O 3.23Å; S626-M826 WeakPolarHBondContact CA-O 3.48Å; S626-M826 WeakPolarHBondContact CB-O 3.45Å; S626-M826 PolarHBondContact N-O 3.21Å; S626-R828 CarbonylContact C-O 3.57Å; S626-R828 VanDerWaalsContact O-O 3.09Å; S626-P830 WeakPolarHBondContact O-CD 3.27Å
627	G	93.8	Very high	90.7	Very high	42 Å²	42	38.6 Å²	38.6	43%	0.433	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	18.2	-179.6	0	0	0	0	0	115.4	C623 R624 K625 P830	C623-G627 PolarHBondContact O-N 3.32Å; R624-G627 PolarHBondContact O-N 3Å; K625-G627 VanDerWaalsContact C-N 3.27Å; K625-G627 PolarHBondContact O-N 3.39Å; G627-P830 WeakPolarHBondContact O-CD 3.35Å
628	I	95.8	Very high	90.5	Very high	8 Å²	8	36.1 Å²	36.1	4%	0.041	18%	0.184	C	C	.	.			trans	-96.7	125.2	-179.4	-55.6	174	0	0	0	109.7	T345 S346 I348 C623 S626 V756 P830	T345-I628 HydrophobicContact CG2-CG2 4.5Å; T345-I628 WeakPolarHBondContact O-CG1 3.3Å; S346-I628 WeakPolarHBondContact O-CA 3.23Å; I348-I628 HydrophobicContact CD1-CG2 3.82Å; I348-I628 HydrophobicContact CG1-CG2 3.8Å; C623-I628 CarbonylContact C-O 3.43Å; C623-I628 HydrophobicContact CB-CB 4.07Å; C623-I628 HydrophobicContact CB-CG2 4.44Å; C623-I628 WeakPolarHBondContact O-CA 3.44Å; C623-I628 PolarHBondContact O-N 3.06Å; S626-I628 VanDerWaalsContact C-N 3.33Å; S626-I628 PolarHBondContact O-N 2.89Å; S626-I628 WeakPolarHBondContact OG-CD1 3.34Å; S626-I628 WeakPolarHBondContact OG-CG1 3.1Å; I628-V756 HydrophobicContact CD1-CG1 3.72Å; I628-P830 HydrophobicContact CG1-CG 4.14Å
629	R	95.5	Very high	90	Very high	50 Å²	50	33.4 Å²	33.4	19%	0.189	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	134.8	177.2	-177.7	163.9	61.3	118.9	-7.6	110.4	S346 V347 I348 I631 C679 R680 A682 L700	S346-R629 PolarHBondContact O-N 3.48Å; V347-R629 CarbonylContact C-O 3.59Å; V347-R629 VanDerWaalsContact CA-O 3.32Å; V347-R629 WeakPolarHBondContact CA-O 3.28Å; V347-R629 HydrophobicContact CG2-CB 4.36Å; I348-R629 PolarHBondContact N-O 3.42Å; R629-I631 HydrophobicContact CG-CG1 4.38Å; R629-C679 PolarHBondContact NH1-O 3.11Å; R629-C679 PolarHBondContact NH2-O 2.88Å; R629-R680 VanDerWaalsContact NH1-C 3.31Å; R629-R680 PolarHBondContact NH1-O 2.79Å; R629-R680 PolarHBondContact NH2-O 3.31Å; R629-A682 PolarHBondContact NH1-O 3.12Å; R629-A682 VanDerWaalsContact NH1-O 3.08Å; R629-L700 VanDerWaalsContact NH2-CD2 3.32Å
630	V	96.2	Very high	89.3	Confident	10 Å²	10	34.6 Å²	34.6	6%	0.061	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127.8	175.5	-176	0	0	0	0	109.4	I348 I620 C623 I650 F749	I348-V630 CarbonylContact O-C 3.5Å; I348-V630 WeakPolarHBondContact O-CA 3.33Å; I620-V630 HydrophobicContact CD1-CG1 4.49Å; I620-V630 HydrophobicContact CG1-CG2 4.49Å; C623-V630 HydrophobicContact CB-CG2 3.91Å; V630-I650 HydrophobicContact CG1-CD1 4.05Å; V630-I650 HydrophobicContact CG1-CG1 4.39Å; V630-F749 HydrophobicContact CG1-CZ 4.33Å; V630-F749 HydrophobicContact CG2-CZ 4.43Å
631	I	96.7	Very high	88.9	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	119.6	177.6	-53.3	-178.9	0	0	0	108.1	V347 I348 C349 S350 R629 I633 R683 F685 L700	V347-I631 HydrophobicContact CG1-CD1 3.61Å; V347-I631 HydrophobicContact CG1-CG1 3.91Å; I348-I631 PolarHBondContact O-N 3.27Å; C349-I631 CarbonylContact C-O 3.55Å; C349-I631 WeakPolarHBondContact CA-O 3.45Å; S350-I631 PolarHBondContact N-O 3Å; R629-I631 HydrophobicContact CG-CG1 4.38Å; I631-I633 HydrophobicContact CG2-CG1 4.2Å; I631-R683 CarbonylContact C-O 3.6Å; I631-R683 WeakPolarHBondContact CA-O 3.37Å; I631-F685 HydrophobicContact CG2-CD2 3.76Å; I631-F685 HydrophobicContact CG2-CE2 3.96Å; I631-L700 HydrophobicContact CD1-CD1 4.3Å
632	M	94.7	Very high	88.7	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	133.2	171.6	-177	-176	-71.9	0	0	110	S350 K352 L356 I644 C645 I648 I650 R683 L684 F685	S350-M632 WeakPolarHBondContact O-CA 3.43Å; K352-M632 HydrophobicContact CB-CG 4.18Å; K352-M632 HydrophobicContact CB-SD 4.06Å; K352-M632 HydrophobicContact CG-CE 4.31Å; K352-M632 HydrophobicContact CG-SD 4.03Å; L356-M632 HydrophobicContact CD1-CB 4.4Å; L356-M632 HydrophobicContact CD1-CE 3.49Å; L356-M632 VanDerWaalsContact CD1-CE 3.49Å; L356-M632 HydrophobicContact CD1-CG 4.06Å; M632-I644 HydrophobicContact CE-CB 4.31Å; M632-I644 HydrophobicContact CE-CG2 3.68Å; M632-C645 PolarHBondContact SD-SG 2.95Å; M632-I648 HydrophobicContact CE-CD1 3.4Å; M632-I648 HydrophobicContact CE-CG1 4.47Å; M632-I650 HydrophobicContact CB-CD1 3.83Å; M632-I650 HydrophobicContact CE-CD1 4.22Å; M632-R683 PolarHBondContact N-O 3.47Å; M632-L684 HydrophobicContact CB-CD1 4.03Å; M632-L684 HydrophobicContact CG-CD1 4.09Å; M632-L684 CarbonylContact O-C 3.58Å; M632-L684 VanDerWaalsContact O-CA 3.31Å; M632-L684 WeakPolarHBondContact O-CA 3.41Å; M632-L684 HydrophobicContact SD-CD1 4.08Å; M632-F685 PolarHBondContact O-N 3.26Å
633	I	92.5	Very high	88.3	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	122.6	177.6	-59.9	-173	0	0	0	107	C349 S350 D351 K352 I631 F685 V688 K693 I696 M709	C349-I633 HydrophobicContact CB-CD1 3.73Å; S350-I633 PolarHBondContact O-N 2.7Å; D351-I633 VanDerWaalsContact CA-O 3.32Å; D351-I633 WeakPolarHBondContact CA-O 3.44Å; K352-I633 PolarHBondContact N-O 3.17Å; I631-I633 HydrophobicContact CG2-CG1 4.2Å; I633-F685 CarbonylContact C-O 3.51Å; I633-F685 WeakPolarHBondContact CA-O 3.46Å; I633-F685 HydrophobicContact CG1-CD2 4.43Å; I633-V688 HydrophobicContact CG2-CG2 3.64Å; I633-K693 HydrophobicContact CG2-CD 4.06Å; I633-K693 HydrophobicContact CG2-CG 3.79Å; I633-I696 HydrophobicContact CD1-CD1 4.01Å; I633-I696 HydrophobicContact CD1-CG2 4.17Å; I633-M709 HydrophobicContact CD1-CE 4.42Å; I633-M709 HydrophobicContact CD1-SD 4.24Å
634	T	86.1	Confident	87.8	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	148.1	-172.3	-174.4	0	0	0	0	114.7	D636 A641 L684 F685 A686 R687 V688	T634-D636 HydrophobicContact CG2-CB 4.03Å; T634-D636 PolarHBondContact O-N 3.21Å; T634-D636 PolarHBondContact OG1-N 3.45Å; T634-D636 VanDerWaalsContact OG1-N 3.16Å; T634-A641 HydrophobicContact CG2-CB 3.58Å; T634-L684 HydrophobicContact CG2-CD1 4.29Å; T634-F685 PolarHBondContact N-O 3.23Å; T634-A686 HydrophobicContact CG2-CB 4.38Å; T634-A686 CarbonylContact O-C 3.58Å; T634-A686 VanDerWaalsContact O-C 3.28Å; T634-A686 WeakPolarHBondContact O-CA 3.45Å; T634-R687 PolarHBondContact O-N 3.34Å; T634-V688 WeakPolarHBondContact O-CG2 3.3Å; T634-V688 PolarHBondContact O-N 3.25Å
635	G	76.4	Confident	87.8	Confident	8 Å²	8	25 Å²	25	8%	0.082	14%	0.142	C	C	.	.	S	Bend	trans	-71.5	-10.3	169	0	0	0	0	0	114.2	R687	G635-R687 WeakPolarHBondContact O-CD 3.48Å
636	D	75.4	Confident	87.6	Confident	32 Å²	32	21.8 Å²	21.8	17%	0.171	13%	0.126	C	C	.	.	S	Bend	trans	-68.2	165.3	-178.4	-107.5	-31.2	0	0	0	113.2	K352 T634 R687	K352-D636 WeakPolarHBondContact CE-OD2 3.48Å; K352-D636 IonicContact NZ-OD2 2.75Å; K352-D636 PolarHBondContact NZ-OD2 3.4Å; T634-D636 HydrophobicContact CG2-CB 4.03Å; T634-D636 PolarHBondContact O-N 3.21Å; T634-D636 PolarHBondContact OG1-N 3.45Å; T634-D636 VanDerWaalsContact OG1-N 3.16Å; D636-R687 WeakPolarHBondContact O-CG 3.48Å; D636-R687 PolarHBondContact O-N 3.42Å
637	N	77.6	Confident	87.3	Confident	56 Å²	56	26.8 Å²	26.8	30%	0.299	15%	0.145	S	C	.	.			trans	-67.2	152.8	172.4	78.7	65.3	0	0	0	111.4	A639 T640 A641	N637-A639 VanDerWaalsContact C-N 3.34Å; N637-A639 PolarHBondContact O-N 3.3Å; N637-A639 PolarHBondContact OD1-N 3.23Å; N637-A639 VanDerWaalsContact OD1-N 3.07Å; N637-T640 PolarHBondContact ND2-OG1 3.33Å; N637-T640 PolarHBondContact O-N 3.46Å; N637-T640 PolarHBondContact OD1-N 2.84Å; N637-T640 PolarHBondContact OD1-OG1 3.27Å; N637-A641 WeakPolarHBondContact O-CB 3.47Å; N637-A641 PolarHBondContact O-N 2.86Å
638	K	84.4	Confident	87.1	Confident	53 Å²	53	24.9 Å²	24.9	23%	0.23	13%	0.125	C	C	.	.	H	α-helix	trans	-57.1	-42.6	-175.6	-169.2	175.8	-173	167.4	0	113.4	A641 E642 S661 T663 E666 A686	K638-A641 PolarHBondContact O-N 3.08Å; K638-E642 WeakPolarHBondContact CE-OE1 3.47Å; K638-E642 HydrophobicContact CG-CG 4.48Å; K638-E642 WeakPolarHBondContact O-CB 3.15Å; K638-E642 WeakPolarHBondContact O-CG 3.46Å; K638-E642 PolarHBondContact O-N 2.82Å; K638-S661 WeakPolarHBondContact CE-O 3.17Å; K638-S661 WeakPolarHBondContact CE-OG 3.45Å; K638-S661 PolarHBondContact NZ-O 3.45Å; K638-T663 HydrophobicContact CB-CG2 3.99Å; K638-T663 HydrophobicContact CD-CG2 3.93Å; K638-T663 HydrophobicContact CG-CG2 4.39Å; K638-E666 IonicContact NZ-OE1 3.92Å; K638-E666 PolarHBondContact NZ-OE1 2.7Å; K638-E666 IonicContact NZ-OE2 3.16Å; K638-E666 PolarHBondContact NZ-OE2 3.38Å; K638-A686 HydrophobicContact CB-CB 4.12Å; K638-A686 HydrophobicContact CG-CB 4.49Å
639	A	82	Confident	86.9	Confident	53 Å²	53	25 Å²	25	44%	0.438	13%	0.128	S	C	.	.	H	α-helix	trans	-66.2	-46.7	-176.6	0	0	0	0	0	112	N637 A641 E642 A643	N637-A639 VanDerWaalsContact C-N 3.34Å; N637-A639 PolarHBondContact O-N 3.3Å; N637-A639 PolarHBondContact OD1-N 3.23Å; N637-A639 VanDerWaalsContact OD1-N 3.07Å; A639-A641 VanDerWaalsContact C-N 3.33Å; A639-A641 PolarHBondContact O-N 3.4Å; A639-E642 PolarHBondContact O-N 3.24Å; A639-A643 PolarHBondContact O-N 3.07Å
640	T	78.4	Confident	86.8	Confident	25 Å²	25	22.7 Å²	22.7	15%	0.153	12%	0.12	C	C	.	.	H	α-helix	trans	-61.1	-43.9	174.8	-60.5	0	0	0	0	110.9	N637 E642 A643 I644	N637-T640 PolarHBondContact ND2-OG1 3.33Å; N637-T640 PolarHBondContact O-N 3.46Å; N637-T640 PolarHBondContact OD1-N 2.84Å; N637-T640 PolarHBondContact OD1-OG1 3.27Å; T640-E642 PolarHBondContact O-N 2.93Å; T640-A643 PolarHBondContact O-N 3.43Å; T640-I644 HydrophobicContact CG2-CD1 4.13Å; T640-I644 WeakPolarHBondContact O-CG1 3.43Å; T640-I644 PolarHBondContact O-N 3.27Å
641	A	84.8	Confident	86.6	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.8	-39.7	179.5	0	0	0	0	0	112.6	T634 N637 K638 A639 I644 C645 L684 A686	T634-A641 HydrophobicContact CG2-CB 3.58Å; N637-A641 WeakPolarHBondContact O-CB 3.47Å; N637-A641 PolarHBondContact O-N 2.86Å; K638-A641 PolarHBondContact O-N 3.08Å; A639-A641 VanDerWaalsContact C-N 3.33Å; A639-A641 PolarHBondContact O-N 3.4Å; A641-I644 PolarHBondContact O-N 3.5Å; A641-C645 WeakPolarHBondContact O-CB 3.43Å; A641-C645 PolarHBondContact O-N 3.06Å; A641-C645 PolarHBondContact O-SG 2.92Å; A641-L684 HydrophobicContact CB-CD1 3.62Å; A641-L684 HydrophobicContact CB-CD2 3.83Å; A641-L684 HydrophobicContact CB-CG 4.3Å; A641-A686 HydrophobicContact CB-CB 4.14Å
642	E	88.4	Confident	86.2	Confident	37 Å²	37	25.5 Å²	25.5	17%	0.173	14%	0.14	C	C	.	.	H	α-helix	trans	-63	-42	174.5	-76.9	-178.8	176.2	0	0	112.1	K638 A639 T640 C645 R646 T657 S661 L684	K638-E642 WeakPolarHBondContact CE-OE1 3.47Å; K638-E642 HydrophobicContact CG-CG 4.48Å; K638-E642 WeakPolarHBondContact O-CB 3.15Å; K638-E642 WeakPolarHBondContact O-CG 3.46Å; K638-E642 PolarHBondContact O-N 2.82Å; A639-E642 PolarHBondContact O-N 3.24Å; T640-E642 PolarHBondContact O-N 2.93Å; E642-C645 WeakPolarHBondContact O-CB 3.48Å; E642-C645 PolarHBondContact O-N 3.41Å; E642-R646 WeakPolarHBondContact O-CG 3.33Å; E642-R646 PolarHBondContact O-N 2.86Å; E642-T657 HydrophobicContact CG-CG2 4.15Å; E642-T657 WeakPolarHBondContact OE1-CB 3.39Å; E642-T657 PolarHBondContact OE1-OG1 2.76Å; E642-T657 VanDerWaalsContact OE1-OG1 3.07Å; E642-T657 PolarHBondContact OE2-OG1 3.18Å; E642-S661 WeakPolarHBondContact OE1-CB 3.04Å; E642-S661 PolarHBondContact OE1-OG 3.26Å; E642-L684 HydrophobicContact CB-CD2 4.21Å; E642-L684 HydrophobicContact CG-CD2 3.47Å; E642-L684 VanDerWaalsContact CG-CD2 3.47Å
643	A	84	Confident	85.7	Confident	13 Å²	13	30.6 Å²	30.6	11%	0.107	16%	0.163	C	C	.	.	H	α-helix	trans	-63.6	-42.3	177.4	0	0	0	0	0	112.3	T567 A639 T640 R646 R647	T567-A643 HydrophobicContact CG2-CB 3.45Å; T567-A643 VanDerWaalsContact CG2-CB 3.45Å; T567-A643 VanDerWaalsContact OG1-CB 3.27Å; T567-A643 WeakPolarHBondContact OG1-CB 3.34Å; A639-A643 PolarHBondContact O-N 3.07Å; T640-A643 PolarHBondContact O-N 3.43Å; A643-R646 PolarHBondContact O-N 2.85Å; A643-R647 PolarHBondContact O-N 3.49Å; A643-R647 VanDerWaalsContact O-N 3.08Å
644	I	85.5	Confident	85.3	Confident	5 Å²	5	38 Å²	38	3%	0.026	20%	0.203	C	C	.	.	H	α-helix	trans	-64.5	-44.8	174.8	-63.1	174.7	0	0	0	110.2	K352 M632 T640 A641 R646 R647 I648	K352-I644 HydrophobicContact CD-CD1 3.56Å; K352-I644 HydrophobicContact CG-CD1 4.19Å; M632-I644 HydrophobicContact CE-CB 4.31Å; M632-I644 HydrophobicContact CE-CG2 3.68Å; T640-I644 HydrophobicContact CG2-CD1 4.13Å; T640-I644 WeakPolarHBondContact O-CG1 3.43Å; T640-I644 PolarHBondContact O-N 3.27Å; A641-I644 PolarHBondContact O-N 3.5Å; I644-R646 VanDerWaalsContact C-N 3.27Å; I644-R646 PolarHBondContact O-N 3.16Å; I644-R647 WeakPolarHBondContact O-CB 3.5Å; I644-R647 PolarHBondContact O-N 2.8Å; I644-I648 HydrophobicContact CG2-CG2 4.37Å; I644-I648 WeakPolarHBondContact O-CG1 3.4Å; I644-I648 PolarHBondContact O-N 3.08Å
645	C	90.6	Very high	85.4	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-56.4	-39.2	176.7	-76.4	0	0	0	0	112.8	M632 A641 E642 G649 I650 F651	M632-C645 PolarHBondContact SD-SG 2.95Å; A641-C645 WeakPolarHBondContact O-CB 3.43Å; A641-C645 PolarHBondContact O-N 3.06Å; A641-C645 PolarHBondContact O-SG 2.92Å; E642-C645 WeakPolarHBondContact O-CB 3.48Å; E642-C645 PolarHBondContact O-N 3.41Å; C645-G649 PolarHBondContact O-N 3.07Å; C645-I650 HydrophobicContact CB-CB 4.03Å; C645-I650 HydrophobicContact CB-CG2 4.33Å; C645-I650 PolarHBondContact O-N 3.39Å; C645-F651 HydrophobicContact CB-CD2 3.45Å; C645-F651 VanDerWaalsContact CB-CD2 3.45Å; C645-F651 HydrophobicContact CB-CE2 3.91Å; C645-F651 HydrophobicContact CB-CG 4.4Å; C645-F651 PolarHBondContact O-N 2.72Å
646	R	89.1	Confident	86	Confident	65 Å²	65	43.3 Å²	43.3	25%	0.245	23%	0.234	C	C	.	.	H	α-helix	trans	-66	-41.5	173.8	-69.3	179.8	-167.5	-73.1	-1.6	111.7	E642 A643 I644 I648 G649 F651 S652 E653 E655	E642-R646 WeakPolarHBondContact O-CG 3.33Å; E642-R646 PolarHBondContact O-N 2.86Å; A643-R646 PolarHBondContact O-N 2.85Å; I644-R646 VanDerWaalsContact C-N 3.27Å; I644-R646 PolarHBondContact O-N 3.16Å; R646-I648 PolarHBondContact O-N 3.46Å; R646-G649 PolarHBondContact O-N 2.64Å; R646-F651 WeakPolarHBondContact CA-O 3.39Å; R646-F651 HydrophobicContact CG-CB 3.99Å; R646-S652 PolarHBondContact NH1-O 2.96Å; R646-E653 WeakPolarHBondContact CD-O 3.46Å; R646-E653 PolarHBondContact NH1-O 2.85Å; R646-E655 PolarHBondContact NH1-O 3.4Å; R646-E655 PolarHBondContact NH2-O 3.15Å
647	R	85	Confident	86.7	Confident	105 Å²	105	42.7 Å²	42.7	40%	0.396	23%	0.231	S	C	.	.	H	α-helix	trans	-67.8	-34.3	-177.3	-162.3	168.3	-173	138.7	1.6	113.4	D566 P612 F617 A643 I644	D566-R647 IonicContact OD1-NH1 3.26Å; D566-R647 PolarHBondContact OD1-NH1 3.16Å; P612-R647 HydrophobicContact CG-CG 4.22Å; F617-R647 WeakPolarHBondContact CD2-O 3.47Å; A643-R647 PolarHBondContact O-N 3.49Å; A643-R647 VanDerWaalsContact O-N 3.08Å; I644-R647 WeakPolarHBondContact O-CB 3.5Å; I644-R647 PolarHBondContact O-N 2.8Å
648	I	90	Very high	87.2	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.01	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-1.9	178	70.5	179.3	0	0	0	113.3	L356 P612 V616 I620 M632 I644 R646 I650	L356-I648 HydrophobicContact CB-CD1 4.49Å; L356-I648 HydrophobicContact CD1-CD1 3.9Å; L356-I648 HydrophobicContact CD2-CD1 4.42Å; P612-I648 HydrophobicContact CB-CG2 3.38Å; P612-I648 HydrophobicContact CG-CG2 4.07Å; V616-I648 HydrophobicContact CG1-CB 3.97Å; V616-I648 HydrophobicContact CG1-CD1 4.22Å; V616-I648 HydrophobicContact CG1-CG2 4.13Å; I620-I648 HydrophobicContact CD1-CB 4.02Å; I620-I648 HydrophobicContact CD1-CD1 3.67Å; I620-I648 HydrophobicContact CD1-CG1 3.7Å; I620-I648 WeakPolarHBondContact CD1-O 3.32Å; M632-I648 HydrophobicContact CE-CD1 3.4Å; M632-I648 HydrophobicContact CE-CG1 4.47Å; I644-I648 HydrophobicContact CG2-CG2 4.37Å; I644-I648 WeakPolarHBondContact O-CG1 3.4Å; I644-I648 PolarHBondContact O-N 3.08Å; R646-I648 PolarHBondContact O-N 3.46Å; I648-I650 HydrophobicContact CD1-CD1 3.74Å; I648-I650 HydrophobicContact CD1-CG1 4.02Å; I648-I650 HydrophobicContact CG1-CD1 4.25Å; I648-I650 HydrophobicContact CG1-CG1 3.99Å
649	G	90.9	Very high	87.5	Confident	11 Å²	11	44.5 Å²	44.5	11%	0.113	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.8	11.6	173.5	0	0	0	0	0	116.1	R624 C645 R646 F651	R624-G649 PolarHBondContact NH2-O 3.24Å; C645-G649 PolarHBondContact O-N 3.07Å; R646-G649 PolarHBondContact O-N 2.64Å; G649-F651 VanDerWaalsContact C-N 3.35Å
650	I	93.5	Very high	88	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.01	24%	0.243	C	C	.	.	S	Bend	trans	-63.1	-44.7	169.7	-68.8	-178.4	0	0	0	110.3	I620 R624 V630 M632 C645 I648 R683	I620-I650 HydrophobicContact CD1-CD1 4.27Å; I620-I650 HydrophobicContact CD1-CG1 3.74Å; I620-I650 HydrophobicContact CG2-CG1 4.44Å; R624-I650 PolarHBondContact NH2-O 2.89Å; V630-I650 HydrophobicContact CG1-CD1 4.05Å; V630-I650 HydrophobicContact CG1-CG1 4.39Å; M632-I650 HydrophobicContact CB-CD1 3.83Å; M632-I650 HydrophobicContact CE-CD1 4.22Å; C645-I650 HydrophobicContact CB-CB 4.03Å; C645-I650 HydrophobicContact CB-CG2 4.33Å; C645-I650 PolarHBondContact O-N 3.39Å; I648-I650 HydrophobicContact CD1-CD1 3.74Å; I648-I650 HydrophobicContact CD1-CG1 4.02Å; I648-I650 HydrophobicContact CG1-CD1 4.25Å; I648-I650 HydrophobicContact CG1-CG1 3.99Å; I650-R683 HydrophobicContact CG2-CB 3.57Å; I650-R683 HydrophobicContact CG2-CG 4.39Å; I650-R683 PolarHBondContact O-NH1 3.39Å
651	F	92.8	Very high	88.8	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-107.9	146.4	167.8	-65.2	-54.9	0	0	0	109.4	C645 R646 G649 E655 T657 K660 R683 L684	C645-F651 HydrophobicContact CB-CD2 3.45Å; C645-F651 VanDerWaalsContact CB-CD2 3.45Å; C645-F651 HydrophobicContact CB-CE2 3.91Å; C645-F651 HydrophobicContact CB-CG 4.4Å; C645-F651 PolarHBondContact O-N 2.72Å; R646-F651 WeakPolarHBondContact CA-O 3.39Å; R646-F651 HydrophobicContact CG-CB 3.99Å; G649-F651 VanDerWaalsContact C-N 3.35Å; F651-E655 WeakPolarHBondContact CA-OE2 3.49Å; F651-T657 HydrophobicContact CD1-CG2 4.48Å; F651-T657 HydrophobicContact CD2-CG2 3.87Å; F651-T657 HydrophobicContact CE1-CG2 4.46Å; F651-T657 HydrophobicContact CE2-CG2 3.86Å; F651-T657 HydrophobicContact CG-CG2 4.21Å; F651-T657 HydrophobicContact CZ-CG2 4.17Å; F651-K660 HydrophobicContact CE1-CB 3.8Å; F651-K660 HydrophobicContact CE1-CD 4.13Å; F651-K660 HydrophobicContact CZ-CB 4.01Å; F651-R683 HydrophobicContact CE1-CB 3.83Å; F651-R683 HydrophobicContact CE1-CG 4.2Å; F651-R683 HydrophobicContact CZ-CB 3.82Å; F651-L684 HydrophobicContact CE2-CB 3.91Å; F651-L684 HydrophobicContact CE2-CD2 4.27Å; F651-L684 HydrophobicContact CZ-CB 4.16Å
652	S	88.6	Confident	89.2	Confident	68 Å²	68	44.6 Å²	44.6	48%	0.476	24%	0.24	S	C	.	.			trans	-70.6	159.7	166.2	-52.8	0	0	0	0	110.6	R646 D654 E655	R646-S652 PolarHBondContact NH1-O 2.96Å; S652-D654 PolarHBondContact O-N 3.21Å; S652-D654 VanDerWaalsContact O-N 3.15Å; S652-E655 PolarHBondContact N-OE2 3.49Å; S652-E655 VanDerWaalsContact N-OE2 3.16Å; S652-E655 PolarHBondContact O-N 3.47Å; S652-E655 VanDerWaalsContact O-N 3.16Å
653	E	83.5	Confident	89.3	Confident	107 Å²	107	44 Å²	44	50%	0.5	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-40.8	-175.1	-71.7	-161.6	178.6	0	0	112.9	R565 R646	R565-E653 IonicContact CZ-OE1 3.75Å; R565-E653 IonicContact CZ-OE2 3.4Å; R565-E653 VanDerWaalsContact NH1-CD 3.33Å; R565-E653 IonicContact NH1-OE1 3.03Å; R565-E653 PolarHBondContact NH1-OE1 2.98Å; R565-E653 IonicContact NH1-OE2 3.12Å; R565-E653 PolarHBondContact NH1-OE2 3.07Å; R565-E653 IonicContact NH2-OE1 2.84Å; R565-E653 PolarHBondContact NH2-OE1 3.32Å; R646-E653 WeakPolarHBondContact CD-O 3.46Å; R646-E653 PolarHBondContact NH1-O 2.85Å
654	D	85.2	Confident	89.4	Confident	156 Å²	156	43.4 Å²	43.4	83%	0.834	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.8	8	-176.8	-54.6	-51.5	0	0	0	114.1	S652	S652-D654 PolarHBondContact O-N 3.21Å; S652-D654 VanDerWaalsContact O-N 3.15Å
655	E	88.3	Confident	89.4	Confident	27 Å²	27	49.6 Å²	49.6	13%	0.126	26%	0.257	C	S	.	.			trans	-67.2	131.2	-177.2	-173.9	177.9	176	0	0	111	R646 F651 S652 T657 K660 R683	R646-E655 PolarHBondContact NH1-O 3.4Å; R646-E655 PolarHBondContact NH2-O 3.15Å; F651-E655 WeakPolarHBondContact CA-OE2 3.49Å; S652-E655 PolarHBondContact N-OE2 3.49Å; S652-E655 VanDerWaalsContact N-OE2 3.16Å; S652-E655 PolarHBondContact O-N 3.47Å; S652-E655 VanDerWaalsContact O-N 3.16Å; E655-T657 PolarHBondContact O-N 2.91Å; E655-K660 IonicContact OE1-NZ 2.77Å; E655-K660 PolarHBondContact OE1-NZ 2.76Å; E655-R683 IonicContact OE1-CZ 2.88Å; E655-R683 IonicContact OE1-NH1 3.53Å; E655-R683 PolarHBondContact OE1-NH1 3.24Å; E655-R683 VanDerWaalsContact OE1-NH1 3.13Å; E655-R683 IonicContact OE1-NH2 2.67Å; E655-R683 IonicContact OE2-NH1 3.87Å; E655-R683 PolarHBondContact OE2-NH1 3.37Å; E655-R683 VanDerWaalsContact OE2-NH1 3.08Å
656	P	89	Confident	89.4	Confident	93 Å²	93	53.5 Å²	53.5	60%	0.604	28%	0.276	S	S	*	.			trans	-68.4	129.8	173.2	26.2	-32	0	0	0	110.5
657	T	89.2	Confident	89.6	Confident	19 Å²	19	50.4 Å²	50.4	12%	0.117	26%	0.264	C	S	.	.			trans	-90	-5.2	-179.6	54.7	0	0	0	0	113.2	E642 F651 E655 G659 K660 S661	E642-T657 HydrophobicContact CG-CG2 4.15Å; E642-T657 WeakPolarHBondContact OE1-CB 3.39Å; E642-T657 PolarHBondContact OE1-OG1 2.76Å; E642-T657 VanDerWaalsContact OE1-OG1 3.07Å; E642-T657 PolarHBondContact OE2-OG1 3.18Å; F651-T657 HydrophobicContact CD1-CG2 4.48Å; F651-T657 HydrophobicContact CD2-CG2 3.87Å; F651-T657 HydrophobicContact CE1-CG2 4.46Å; F651-T657 HydrophobicContact CE2-CG2 3.86Å; F651-T657 HydrophobicContact CG-CG2 4.21Å; F651-T657 HydrophobicContact CZ-CG2 4.17Å; E655-T657 PolarHBondContact O-N 2.91Å; T657-G659 PolarHBondContact O-N 2.84Å; T657-G659 VanDerWaalsContact O-N 3.16Å; T657-K660 PolarHBondContact O-N 2.89Å; T657-S661 PolarHBondContact O-N 2.9Å; T657-S661 VanDerWaalsContact O-N 3.1Å
658	T	87.9	Confident	89.8	Confident	133 Å²	133	49 Å²	49	82%	0.816	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	120.4	179.5	-48.7	0	0	0	0	110.4	K660	T658-K660 PolarHBondContact O-N 2.96Å
659	G	90.2	Very high	89.9	Confident	14 Å²	14	52.4 Å²	52.4	14%	0.144	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	4.7	-178.1	0	0	0	0	0	115.7	T657 F662 R681	T657-G659 PolarHBondContact O-N 2.84Å; T657-G659 VanDerWaalsContact O-N 3.16Å; G659-F662 WeakPolarHBondContact O-CE2 3.3Å; G659-F662 WeakPolarHBondContact O-CZ 3.24Å; G659-R681 WeakPolarHBondContact O-CD 3.45Å; G659-R681 WeakPolarHBondContact O-CG 3.4Å; G659-R681 PolarHBondContact O-NE 3.45Å; G659-R681 PolarHBondContact O-NH1 3.22Å
660	K	94	Very high	90	Very high	59 Å²	59	53.7 Å²	53.7	26%	0.257	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-13.9	174.4	-63.2	176	179.1	167.2	0	113.1	F651 E655 T657 T658 A682 R683 L684	F651-K660 HydrophobicContact CE1-CB 3.8Å; F651-K660 HydrophobicContact CE1-CD 4.13Å; F651-K660 HydrophobicContact CZ-CB 4.01Å; E655-K660 IonicContact OE1-NZ 2.77Å; E655-K660 PolarHBondContact OE1-NZ 2.76Å; T657-K660 PolarHBondContact O-N 2.89Å; T658-K660 PolarHBondContact O-N 2.96Å; K660-A682 WeakPolarHBondContact O-CA 3.37Å; K660-R683 PolarHBondContact O-N 3.44Å; K660-L684 PolarHBondContact O-N 3.26Å
661	S	94.1	Very high	90.1	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.014	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	121.1	-178.2	171.6	0	0	0	0	109.5	K638 E642 T657 L684	K638-S661 WeakPolarHBondContact CE-O 3.17Å; K638-S661 WeakPolarHBondContact CE-OG 3.45Å; K638-S661 PolarHBondContact NZ-O 3.45Å; E642-S661 WeakPolarHBondContact OE1-CB 3.04Å; E642-S661 PolarHBondContact OE1-OG 3.26Å; T657-S661 PolarHBondContact O-N 2.9Å; T657-S661 VanDerWaalsContact O-N 3.1Å; S661-L684 WeakPolarHBondContact CA-O 3.32Å
662	F	94.2	Very high	90.1	Very high	18 Å²	18	62.6 Å²	62.6	8%	0.079	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	145	-178.1	-60.4	-88.5	0	0	0	110.9	G659 E666 L670 A678 A682 L684 F685 A686	G659-F662 WeakPolarHBondContact O-CE2 3.3Å; G659-F662 WeakPolarHBondContact O-CZ 3.24Å; F662-E666 WeakPolarHBondContact CA-OE2 3.46Å; F662-L670 HydrophobicContact CD1-CD1 4.37Å; F662-L670 HydrophobicContact CE1-CD1 4.14Å; F662-A678 HydrophobicContact CD2-CB 4.47Å; F662-A678 HydrophobicContact CE1-CB 4.42Å; F662-A678 HydrophobicContact CE2-CB 3.92Å; F662-A678 HydrophobicContact CZ-CB 3.9Å; F662-A682 HydrophobicContact CD2-CB 3.99Å; F662-A682 HydrophobicContact CE2-CB 4Å; F662-L684 PolarHBondContact N-O 3.14Å; F662-F685 HydrophobicContact CB-CD1 3.95Å; F662-F685 HydrophobicContact CB-CE1 4.07Å; F662-F685 HydrophobicContact CD2-CE1 4.12Å; F662-F685 HydrophobicContact CG-CE1 4.4Å; F662-F685 CarbonylContact O-C 2.99Å; F662-F685 VanDerWaalsContact O-CA 3.28Å; F662-F685 WeakPolarHBondContact O-CA 3.31Å; F662-A686 PolarHBondContact O-N 2.92Å
663	T	89.3	Confident	90.3	Very high	25 Å²	25	66.2 Å²	66.2	15%	0.153	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	158.3	160	63.7	0	0	0	0	110.7	K638 R665 E666 F667 A686	K638-T663 HydrophobicContact CB-CG2 3.99Å; K638-T663 HydrophobicContact CD-CG2 3.93Å; K638-T663 HydrophobicContact CG-CG2 4.39Å; T663-R665 PolarHBondContact O-N 3.4Å; T663-E666 PolarHBondContact N-OE2 2.89Å; T663-E666 PolarHBondContact O-N 3.35Å; T663-E666 VanDerWaalsContact O-N 3.1Å; T663-E666 WeakPolarHBondContact OG1-CB 3.27Å; T663-E666 WeakPolarHBondContact OG1-CG 3.48Å; T663-E666 PolarHBondContact OG1-N 3.09Å; T663-E666 VanDerWaalsContact OG1-N 3.08Å; T663-E666 PolarHBondContact OG1-OE2 3.4Å; T663-F667 WeakPolarHBondContact O-CB 3.3Å; T663-F667 PolarHBondContact O-N 3.45Å; T663-A686 CarbonylContact C-O 3.58Å; T663-A686 WeakPolarHBondContact CA-O 3.21Å
664	G	87.5	Confident	90.8	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-51.6	-42.3	172.3	0	0	0	0	0	112.5	F667 D668 A686	G664-F667 WeakPolarHBondContact O-CB 3.41Å; G664-F667 PolarHBondContact O-N 2.64Å; G664-D668 PolarHBondContact O-N 3.21Å; G664-A686 PolarHBondContact N-O 3.02Å
665	R	85	Confident	91.2	Very high	135 Å²	135	59 Å²	59	51%	0.509	32%	0.318	S	S	.	.	H	α-helix	trans	-67	-41.2	177	-171.6	-176.1	-176	133.4	4.7	113.7	D196 T663 F667 A669	D196-R665 IonicContact OD2-CZ 2.79Å; D196-R665 IonicContact OD2-NH1 2.95Å; D196-R665 PolarHBondContact OD2-NH1 2.71Å; D196-R665 IonicContact OD2-NH2 3.79Å; D196-R665 PolarHBondContact OD2-NH2 3.13Å; T663-R665 PolarHBondContact O-N 3.4Å; R665-F667 VanDerWaalsContact C-N 3.28Å; R665-A669 WeakPolarHBondContact O-CB 3.46Å; R665-A669 PolarHBondContact O-N 2.96Å; R665-A669 VanDerWaalsContact O-N 3.15Å
666	E	90.7	Very high	91.4	Very high	83 Å²	83	60.7 Å²	60.7	39%	0.388	32%	0.323	S	S	.	.	H	α-helix	trans	-62.5	-41.5	174.7	-76.6	168	161.6	0	0	110.1	K638 F662 T663 A669 L670	K638-E666 IonicContact NZ-OE1 3.92Å; K638-E666 PolarHBondContact NZ-OE1 2.7Å; K638-E666 IonicContact NZ-OE2 3.16Å; K638-E666 PolarHBondContact NZ-OE2 3.38Å; F662-E666 WeakPolarHBondContact CA-OE2 3.46Å; T663-E666 PolarHBondContact N-OE2 2.89Å; T663-E666 PolarHBondContact O-N 3.35Å; T663-E666 VanDerWaalsContact O-N 3.1Å; T663-E666 WeakPolarHBondContact OG1-CB 3.27Å; T663-E666 WeakPolarHBondContact OG1-CG 3.48Å; T663-E666 PolarHBondContact OG1-N 3.09Å; T663-E666 VanDerWaalsContact OG1-N 3.08Å; T663-E666 PolarHBondContact OG1-OE2 3.4Å; E666-A669 PolarHBondContact O-N 3.35Å; E666-L670 WeakPolarHBondContact O-CG 3.48Å
667	F	93.2	Very high	91.7	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64.9	-48	177.8	-174.9	-112.3	0	0	0	112	T663 G664 R665 A669 L670 Q675 A678 F685 K695 I696 F699	T663-F667 WeakPolarHBondContact O-CB 3.3Å; T663-F667 PolarHBondContact O-N 3.45Å; G664-F667 WeakPolarHBondContact O-CB 3.41Å; G664-F667 PolarHBondContact O-N 2.64Å; R665-F667 VanDerWaalsContact C-N 3.28Å; F667-A669 PolarHBondContact O-N 2.88Å; F667-L670 HydrophobicContact CD2-CD1 4.48Å; F667-L670 WeakPolarHBondContact O-CB 3.44Å; F667-L670 PolarHBondContact O-N 3.4Å; F667-Q675 HydrophobicContact CD2-CB 4.35Å; F667-Q675 HydrophobicContact CD2-CG 4.14Å; F667-Q675 HydrophobicContact CE1-CB 4.46Å; F667-Q675 HydrophobicContact CE1-CG 4.38Å; F667-Q675 HydrophobicContact CE2-CB 3.63Å; F667-Q675 HydrophobicContact CE2-CG 3.89Å; F667-Q675 WeakPolarHBondContact CE2-O 3.36Å; F667-Q675 HydrophobicContact CZ-CB 3.7Å; F667-Q675 HydrophobicContact CZ-CG 4.03Å; F667-Q675 WeakPolarHBondContact O-CG 3.19Å; F667-Q675 PolarHBondContact O-NE2 3.29Å; F667-A678 HydrophobicContact CD2-CB 4.41Å; F667-A678 HydrophobicContact CE2-CB 4.27Å; F667-F685 AromaticContact CD2-CE1 3.73Å; F667-F685 HydrophobicContact CD2-CE1 3.73Å; F667-F685 AromaticContact CE2-CE1 3.99Å; F667-F685 HydrophobicContact CE2-CE1 3.99Å; F667-F685 HydrophobicContact CE2-CZ 4.4Å; F667-F685 HydrophobicContact CG-CE1 4.18Å; F667-K695 HydrophobicContact CE1-CD 4.33Å; F667-I696 HydrophobicContact CE1-CG1 4.49Å; F667-I696 HydrophobicContact CZ-CG1 4.46Å; F667-F699 HydrophobicContact CE1-CE2 4.38Å; F667-F699 AromaticContact CZ-CD2 3.99Å; F667-F699 HydrophobicContact CZ-CD2 3.99Å; F667-F699 AromaticContact CZ-CE2 3.82Å; F667-F699 HydrophobicContact CZ-CE2 3.82Å
668	D	89.5	Confident	91.9	Very high	76 Å²	76	59.7 Å²	59.7	41%	0.406	31%	0.309	S	S	.	.	H	α-helix	trans	-61.1	-28.3	176.9	-77.1	-22.9	0	0	0	113.8	G664 L670 H692	G664-D668 PolarHBondContact O-N 3.21Å; D668-L670 VanDerWaalsContact C-N 3.28Å; D668-H692 IonicContact OD1-CD2 3.09Å; D668-H692 IonicContact OD1-NE2 3.18Å; D668-H692 PolarHBondContact OD1-NE2 3.34Å; D668-H692 IonicContact OD2-CE1 2.75Å; D668-H692 PolarHBondContact OD2-CE1 2.87Å; D668-H692 IonicContact OD2-NE2 3.97Å; D668-H692 PolarHBondContact OD2-NE2 3.31Å
669	A	91.7	Very high	92.2	Very high	73 Å²	73	53.4 Å²	53.4	60%	0.603	27%	0.27	S	S	*	.	H	α-helix	trans	-75.4	-18.1	177.8	0	0	0	0	0	113	R665 E666 F667	R665-A669 WeakPolarHBondContact O-CB 3.46Å; R665-A669 PolarHBondContact O-N 2.96Å; R665-A669 VanDerWaalsContact O-N 3.15Å; E666-A669 PolarHBondContact O-N 3.35Å; F667-A669 PolarHBondContact O-N 2.88Å
670	L	93.2	Very high	92.3	Very high	37 Å²	37	58.4 Å²	58.4	19%	0.194	29%	0.285	C	S	.	.	S	Bend	trans	-75	144.2	177.4	-62.2	174.9	0	0	0	111	F662 E666 F667 D668 E674 Q675 A678	F662-L670 HydrophobicContact CD1-CD1 4.37Å; F662-L670 HydrophobicContact CE1-CD1 4.14Å; E666-L670 WeakPolarHBondContact O-CG 3.48Å; F667-L670 HydrophobicContact CD2-CD1 4.48Å; F667-L670 WeakPolarHBondContact O-CB 3.44Å; F667-L670 PolarHBondContact O-N 3.4Å; D668-L670 VanDerWaalsContact C-N 3.28Å; L670-E674 HydrophobicContact CB-CB 4.07Å; L670-E674 HydrophobicContact CD2-CB 4.48Å; L670-Q675 HydrophobicContact CB-CG 3.77Å; L670-Q675 PolarHBondContact O-NE2 3.34Å; L670-Q675 VanDerWaalsContact O-NE2 3.13Å; L670-A678 HydrophobicContact CD1-CB 4.08Å
671	P	94.8	Very high	92.3	Very high	74 Å²	74	60.7 Å²	60.7	48%	0.481	29%	0.292	S	S	.	.			trans	-56.2	153.5	164.8	-21.5	31.5	0	0	0	111.8	E673 E674 Q675	P671-E673 VanDerWaalsContact C-N 3.29Å; P671-E673 PolarHBondContact O-N 2.75Å; P671-E674 HydrophobicContact CG-CG 4.43Å; P671-E674 CarbonylContact O-C 3.59Å; P671-E674 WeakPolarHBondContact O-CA 3.5Å; P671-E674 PolarHBondContact O-N 3.04Å; P671-Q675 PolarHBondContact O-N 2.85Å
672	I	92.8	Very high	92.3	Very high	116 Å²	116	60.6 Å²	60.6	60%	0.595	29%	0.291	S	S	*	.	H	α-helix	trans	-53.7	-43.1	-176.4	-66.9	164.3	0	0	0	112.4	E674 Q675 R676 F699	I672-E674 VanDerWaalsContact C-N 3.35Å; I672-E674 PolarHBondContact O-N 3.18Å; I672-Q675 WeakPolarHBondContact O-CB 3.44Å; I672-Q675 PolarHBondContact O-N 3.43Å; I672-R676 PolarHBondContact O-N 3.11Å; I672-F699 HydrophobicContact CG2-CE1 4.31Å; I672-F699 HydrophobicContact CG2-CZ 4.34Å
673	E	92.2	Very high	92.3	Very high	144 Å²	144	62.8 Å²	62.8	67%	0.673	30%	0.299	S	S	*	.	H	α-helix	trans	-63.5	-38.9	177	-65	-59.3	148.7	0	0	112.7	P671 R676 E677	P671-E673 VanDerWaalsContact C-N 3.29Å; P671-E673 PolarHBondContact O-N 2.75Å; E673-R676 PolarHBondContact O-N 3.18Å; E673-E677 PolarHBondContact O-N 2.57Å
674	E	93.9	Very high	92.6	Very high	105 Å²	105	61.6 Å²	61.6	49%	0.491	29%	0.292	S	S	.	.	H	α-helix	trans	-74.3	-27.8	176.4	-70.6	-173.3	-144.8	0	0	112.3	L670 P671 I672 A678	L670-E674 HydrophobicContact CB-CB 4.07Å; L670-E674 HydrophobicContact CD2-CB 4.48Å; P671-E674 HydrophobicContact CG-CG 4.43Å; P671-E674 CarbonylContact O-C 3.59Å; P671-E674 WeakPolarHBondContact O-CA 3.5Å; P671-E674 PolarHBondContact O-N 3.04Å; I672-E674 VanDerWaalsContact C-N 3.35Å; I672-E674 PolarHBondContact O-N 3.18Å; E674-A678 WeakPolarHBondContact O-CB 3.38Å; E674-A678 PolarHBondContact O-N 3.01Å
675	Q	94.2	Very high	93	Very high	6 Å²	6	61.6 Å²	61.6	3%	0.028	29%	0.292	C	S	.	.	H	α-helix	trans	-63.8	-47.1	170.5	-71.4	-178.8	-7.7	0	0	110.5	F667 L670 P671 I672 E677 A678 C679 F699	F667-Q675 HydrophobicContact CD2-CB 4.35Å; F667-Q675 HydrophobicContact CD2-CG 4.14Å; F667-Q675 HydrophobicContact CE1-CB 4.46Å; F667-Q675 HydrophobicContact CE1-CG 4.38Å; F667-Q675 HydrophobicContact CE2-CB 3.63Å; F667-Q675 HydrophobicContact CE2-CG 3.89Å; F667-Q675 WeakPolarHBondContact CE2-O 3.36Å; F667-Q675 HydrophobicContact CZ-CB 3.7Å; F667-Q675 HydrophobicContact CZ-CG 4.03Å; F667-Q675 WeakPolarHBondContact O-CG 3.19Å; F667-Q675 PolarHBondContact O-NE2 3.29Å; L670-Q675 HydrophobicContact CB-CG 3.77Å; L670-Q675 PolarHBondContact O-NE2 3.34Å; L670-Q675 VanDerWaalsContact O-NE2 3.13Å; P671-Q675 PolarHBondContact O-N 2.85Å; I672-Q675 WeakPolarHBondContact O-CB 3.44Å; I672-Q675 PolarHBondContact O-N 3.43Å; Q675-E677 PolarHBondContact O-N 2.82Å; Q675-A678 WeakPolarHBondContact O-CB 3.48Å; Q675-A678 PolarHBondContact O-N 2.87Å; Q675-C679 PolarHBondContact O-N 3.41Å; Q675-C679 PolarHBondContact O-SG 3.5Å; Q675-F699 HydrophobicContact CB-CE2 3.7Å; Q675-F699 HydrophobicContact CB-CZ 3.99Å
676	R	93.6	Very high	93.1	Very high	62 Å²	62	55.2 Å²	55.2	23%	0.234	27%	0.268	C	S	.	.	H	α-helix	trans	-59.3	-48.4	176.1	-173.3	175.1	179.5	157.2	3.3	111.6	I672 E673 A678 C679 R680 F699 E702 D703	I672-R676 PolarHBondContact O-N 3.11Å; E673-R676 PolarHBondContact O-N 3.18Å; R676-A678 VanDerWaalsContact C-N 3.29Å; R676-A678 PolarHBondContact O-N 2.82Å; R676-C679 WeakPolarHBondContact O-CB 3.29Å; R676-C679 PolarHBondContact O-N 3.43Å; R676-C679 VanDerWaalsContact O-N 3.12Å; R676-R680 PolarHBondContact O-N 3.49Å; R676-F699 HydrophobicContact CB-CD1 4.05Å; R676-F699 HydrophobicContact CB-CE1 4.35Å; R676-F699 HydrophobicContact CB-CG 4.43Å; R676-F699 HydrophobicContact CG-CD1 4.24Å; R676-E702 IonicContact CZ-OE2 3.61Å; R676-E702 IonicContact NH1-OE2 2.71Å; R676-E702 PolarHBondContact NH1-OE2 2.79Å; R676-E702 VanDerWaalsContact NH2-C 3.34Å; R676-E702 PolarHBondContact NH2-O 2.89Å; R676-D703 IonicContact CZ-OD1 3.33Å; R676-D703 IonicContact NE-OD1 3.51Å; R676-D703 PolarHBondContact NE-OD1 3.11Å; R676-D703 IonicContact NH2-OD1 3.71Å; R676-D703 PolarHBondContact NH2-OD1 2.9Å
677	E	93.9	Very high	92.8	Very high	92 Å²	92	55.7 Å²	55.7	43%	0.43	27%	0.266	S	S	.	.	H	α-helix	trans	-64.9	-33.1	176.7	-172.2	58.8	-155.6	0	0	112.4	E673 Q675 R680 R681	E673-E677 PolarHBondContact O-N 2.57Å; Q675-E677 PolarHBondContact O-N 2.82Å; E677-R680 PolarHBondContact O-N 3.21Å; E677-R680 WeakPolarHBondContact OE2-CD 3.33Å; E677-R680 IonicContact OE2-CZ 3.6Å; E677-R680 IonicContact OE2-NH1 2.78Å; E677-R680 PolarHBondContact OE2-NH1 3.48Å; E677-R681 WeakPolarHBondContact O-CG 3.4Å
678	A	94.1	Very high	92.4	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.4	-42.8	171.7	0	0	0	0	0	111.6	F662 F667 L670 E674 Q675 R676 R680 R681 A682	F662-A678 HydrophobicContact CD2-CB 4.47Å; F662-A678 HydrophobicContact CE1-CB 4.42Å; F662-A678 HydrophobicContact CE2-CB 3.92Å; F662-A678 HydrophobicContact CZ-CB 3.9Å; F667-A678 HydrophobicContact CD2-CB 4.41Å; F667-A678 HydrophobicContact CE2-CB 4.27Å; L670-A678 HydrophobicContact CD1-CB 4.08Å; E674-A678 WeakPolarHBondContact O-CB 3.38Å; E674-A678 PolarHBondContact O-N 3.01Å; Q675-A678 WeakPolarHBondContact O-CB 3.48Å; Q675-A678 PolarHBondContact O-N 2.87Å; R676-A678 VanDerWaalsContact C-N 3.29Å; R676-A678 PolarHBondContact O-N 2.82Å; A678-R680 VanDerWaalsContact C-N 3.28Å; A678-R680 PolarHBondContact O-N 2.79Å; A678-R681 WeakPolarHBondContact O-CG 3.38Å; A678-R681 PolarHBondContact O-N 2.98Å; A678-A682 WeakPolarHBondContact O-CA 3.36Å; A678-A682 WeakPolarHBondContact O-CB 3.32Å; A678-A682 PolarHBondContact O-N 3.18Å
679	C	95	Very high	92	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.1	-32	176.7	-70.5	0	0	0	0	113.3	R629 Q675 R676 R681 F699 L700	R629-C679 PolarHBondContact NH1-O 3.11Å; R629-C679 PolarHBondContact NH2-O 2.88Å; Q675-C679 PolarHBondContact O-N 3.41Å; Q675-C679 PolarHBondContact O-SG 3.5Å; R676-C679 WeakPolarHBondContact O-CB 3.29Å; R676-C679 PolarHBondContact O-N 3.43Å; R676-C679 VanDerWaalsContact O-N 3.12Å; C679-R681 PolarHBondContact O-N 3.43Å; C679-F699 HydrophobicContact CB-CB 4.06Å; C679-L700 HydrophobicContact CB-CD2 4.45Å
680	R	92.3	Very high	91.5	Very high	120 Å²	120	50.2 Å²	50.2	45%	0.453	23%	0.227	S	C	.	.	H	α-helix	trans	-66.9	-33.5	176.1	-70	-177.2	-177.5	157.4	-2.8	114.4	R629 R676 E677 A678 D703	R629-R680 VanDerWaalsContact NH1-C 3.31Å; R629-R680 PolarHBondContact NH1-O 2.79Å; R629-R680 PolarHBondContact NH2-O 3.31Å; R676-R680 PolarHBondContact O-N 3.49Å; E677-R680 PolarHBondContact O-N 3.21Å; E677-R680 WeakPolarHBondContact OE2-CD 3.33Å; E677-R680 IonicContact OE2-CZ 3.6Å; E677-R680 IonicContact OE2-NH1 2.78Å; E677-R680 PolarHBondContact OE2-NH1 3.48Å; A678-R680 VanDerWaalsContact C-N 3.28Å; A678-R680 PolarHBondContact O-N 2.79Å; R680-D703 WeakPolarHBondContact CD-OD2 3.36Å; R680-D703 WeakPolarHBondContact CG-OD2 3.34Å; R680-D703 IonicContact CZ-OD1 2.93Å; R680-D703 IonicContact CZ-OD2 2.74Å; R680-D703 VanDerWaalsContact NE-CG 3.34Å; R680-D703 IonicContact NE-OD1 2.97Å; R680-D703 PolarHBondContact NE-OD1 3.36Å; R680-D703 IonicContact NE-OD2 2.76Å; R680-D703 PolarHBondContact NE-OD2 2.84Å; R680-D703 IonicContact NH2-OD1 2.64Å; R680-D703 PolarHBondContact NH2-OD1 3.33Å; R680-D703 IonicContact NH2-OD2 3.16Å
681	R	92.9	Very high	91	Very high	107 Å²	107	53.6 Å²	53.6	40%	0.404	24%	0.243	S	C	.	.	H	α-helix	trans	-107.6	-22.9	-173.6	65.7	-171.8	175	125.9	-3.9	114.3	G659 E677 A678 C679	G659-R681 WeakPolarHBondContact O-CD 3.45Å; G659-R681 WeakPolarHBondContact O-CG 3.4Å; G659-R681 PolarHBondContact O-NE 3.45Å; G659-R681 PolarHBondContact O-NH1 3.22Å; E677-R681 WeakPolarHBondContact O-CG 3.4Å; A678-R681 WeakPolarHBondContact O-CG 3.38Å; A678-R681 PolarHBondContact O-N 2.98Å; C679-R681 PolarHBondContact O-N 3.43Å
682	A	94.3	Very high	90.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	22%	0.222	C	C	.	.			trans	-64.4	148	-177.3	0	0	0	0	0	111.4	R629 K660 F662 A678 F685	R629-A682 PolarHBondContact NH1-O 3.12Å; R629-A682 VanDerWaalsContact NH1-O 3.08Å; K660-A682 WeakPolarHBondContact O-CA 3.37Å; F662-A682 HydrophobicContact CD2-CB 3.99Å; F662-A682 HydrophobicContact CE2-CB 4Å; A678-A682 WeakPolarHBondContact O-CA 3.36Å; A678-A682 WeakPolarHBondContact O-CB 3.32Å; A678-A682 PolarHBondContact O-N 3.18Å; A682-F685 HydrophobicContact CB-CD2 4.4Å; A682-F685 HydrophobicContact CB-CE1 4.3Å; A682-F685 HydrophobicContact CB-CE2 3.52Å; A682-F685 HydrophobicContact CB-CZ 3.46Å; A682-F685 VanDerWaalsContact CB-CZ 3.46Å
683	R	95.1	Very high	90.7	Very high	64 Å²	64	45.3 Å²	45.3	24%	0.242	20%	0.195	C	C	.	.	S	Bend	trans	-126.8	-6	169	-56	-173.8	-173.8	154.8	6.7	112.5	I631 M632 I650 F651 E655 K660	I631-R683 CarbonylContact C-O 3.6Å; I631-R683 WeakPolarHBondContact CA-O 3.37Å; M632-R683 PolarHBondContact N-O 3.47Å; I650-R683 HydrophobicContact CG2-CB 3.57Å; I650-R683 HydrophobicContact CG2-CG 4.39Å; I650-R683 PolarHBondContact O-NH1 3.39Å; F651-R683 HydrophobicContact CE1-CB 3.83Å; F651-R683 HydrophobicContact CE1-CG 4.2Å; F651-R683 HydrophobicContact CZ-CB 3.82Å; E655-R683 IonicContact OE1-CZ 2.88Å; E655-R683 IonicContact OE1-NH1 3.53Å; E655-R683 PolarHBondContact OE1-NH1 3.24Å; E655-R683 VanDerWaalsContact OE1-NH1 3.13Å; E655-R683 IonicContact OE1-NH2 2.67Å; E655-R683 IonicContact OE2-NH1 3.87Å; E655-R683 PolarHBondContact OE2-NH1 3.37Å; E655-R683 VanDerWaalsContact OE2-NH1 3.08Å; K660-R683 PolarHBondContact O-N 3.44Å
684	L	95.5	Very high	90.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	127.5	179.1	171.5	59.3	0	0	0	111.5	M632 T634 A641 E642 F651 K660 S661 F662	M632-L684 HydrophobicContact CB-CD1 4.03Å; M632-L684 HydrophobicContact CG-CD1 4.09Å; M632-L684 CarbonylContact O-C 3.58Å; M632-L684 VanDerWaalsContact O-CA 3.31Å; M632-L684 WeakPolarHBondContact O-CA 3.41Å; M632-L684 HydrophobicContact SD-CD1 4.08Å; T634-L684 HydrophobicContact CG2-CD1 4.29Å; A641-L684 HydrophobicContact CB-CD1 3.62Å; A641-L684 HydrophobicContact CB-CD2 3.83Å; A641-L684 HydrophobicContact CB-CG 4.3Å; E642-L684 HydrophobicContact CB-CD2 4.21Å; E642-L684 HydrophobicContact CG-CD2 3.47Å; E642-L684 VanDerWaalsContact CG-CD2 3.47Å; F651-L684 HydrophobicContact CE2-CB 3.91Å; F651-L684 HydrophobicContact CE2-CD2 4.27Å; F651-L684 HydrophobicContact CZ-CB 4.16Å; K660-L684 PolarHBondContact O-N 3.26Å; S661-L684 WeakPolarHBondContact CA-O 3.32Å; F662-L684 PolarHBondContact N-O 3.14Å
685	F	94.6	Very high	90.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	120.5	164.9	-66.1	-85.9	0	0	0	109.9	I631 M632 I633 T634 F662 F667 A682 V688 I696	I631-F685 HydrophobicContact CG2-CD2 3.76Å; I631-F685 HydrophobicContact CG2-CE2 3.96Å; M632-F685 PolarHBondContact O-N 3.26Å; I633-F685 CarbonylContact C-O 3.51Å; I633-F685 WeakPolarHBondContact CA-O 3.46Å; I633-F685 HydrophobicContact CG1-CD2 4.43Å; T634-F685 PolarHBondContact N-O 3.23Å; F662-F685 HydrophobicContact CB-CD1 3.95Å; F662-F685 HydrophobicContact CB-CE1 4.07Å; F662-F685 HydrophobicContact CD2-CE1 4.12Å; F662-F685 HydrophobicContact CG-CE1 4.4Å; F662-F685 CarbonylContact O-C 2.99Å; F662-F685 VanDerWaalsContact O-CA 3.28Å; F662-F685 WeakPolarHBondContact O-CA 3.31Å; F667-F685 AromaticContact CD2-CE1 3.73Å; F667-F685 HydrophobicContact CD2-CE1 3.73Å; F667-F685 AromaticContact CE2-CE1 3.99Å; F667-F685 HydrophobicContact CE2-CE1 3.99Å; F667-F685 HydrophobicContact CE2-CZ 4.4Å; F667-F685 HydrophobicContact CG-CE1 4.18Å; A682-F685 HydrophobicContact CB-CD2 4.4Å; A682-F685 HydrophobicContact CB-CE1 4.3Å; A682-F685 HydrophobicContact CB-CE2 3.52Å; A682-F685 HydrophobicContact CB-CZ 3.46Å; A682-F685 VanDerWaalsContact CB-CZ 3.46Å; F685-V688 HydrophobicContact CB-CG1 3.86Å; F685-I696 HydrophobicContact CB-CD1 4.03Å; F685-I696 HydrophobicContact CD1-CD1 3.9Å; F685-I696 HydrophobicContact CD2-CD1 3.57Å; F685-I696 HydrophobicContact CD2-CG1 4.31Å; F685-I696 HydrophobicContact CE1-CD1 4.21Å; F685-I696 HydrophobicContact CE1-CG1 4.39Å; F685-I696 HydrophobicContact CE2-CD1 3.89Å; F685-I696 HydrophobicContact CE2-CG1 4.12Å; F685-I696 HydrophobicContact CE2-CG2 4.14Å; F685-I696 HydrophobicContact CG-CD1 3.56Å; F685-I696 HydrophobicContact CZ-CD1 4.2Å; F685-I696 HydrophobicContact CZ-CG1 4.16Å
686	A	88.4	Confident	90.6	Very high	0 Å²	0	37 Å²	37	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	161.5	-178.6	0	0	0	0	0	111.2	T634 K638 A641 F662 T663 G664 V688	T634-A686 HydrophobicContact CG2-CB 4.38Å; T634-A686 CarbonylContact O-C 3.58Å; T634-A686 VanDerWaalsContact O-C 3.28Å; T634-A686 WeakPolarHBondContact O-CA 3.45Å; K638-A686 HydrophobicContact CB-CB 4.12Å; K638-A686 HydrophobicContact CG-CB 4.49Å; A641-A686 HydrophobicContact CB-CB 4.14Å; F662-A686 PolarHBondContact O-N 2.92Å; T663-A686 CarbonylContact C-O 3.58Å; T663-A686 WeakPolarHBondContact CA-O 3.21Å; G664-A686 PolarHBondContact N-O 3.02Å; A686-V688 PolarHBondContact O-N 2.92Å
687	R	83.4	Confident	90.6	Very high	93 Å²	93	34.1 Å²	34.1	35%	0.351	15%	0.147	S	C	.	.	S	Bend	trans	46.5	46.2	-178.5	-64.7	-69.6	-179.1	171.4	-1.6	112.6	T634 G635 D636	T634-R687 PolarHBondContact O-N 3.34Å; G635-R687 WeakPolarHBondContact O-CD 3.48Å; D636-R687 WeakPolarHBondContact O-CG 3.48Å; D636-R687 PolarHBondContact O-N 3.42Å
688	V	85.2	Confident	90.5	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.03	14%	0.144	C	C	.	.			trans	-92.9	147.5	-177.4	-89.7	0	0	0	0	112.1	I633 T634 F685 A686 H692	I633-V688 HydrophobicContact CG2-CG2 3.64Å; T634-V688 WeakPolarHBondContact O-CG2 3.3Å; T634-V688 PolarHBondContact O-N 3.25Å; F685-V688 HydrophobicContact CB-CG1 3.86Å; A686-V688 PolarHBondContact O-N 2.92Å; V688-H692 HydrophobicContact CB-CB 3.96Å; V688-H692 HydrophobicContact CG1-CB 3.62Å
689	E	81.1	Confident	90.5	Very high	21 Å²	21	34 Å²	34	10%	0.098	15%	0.146	C	C	.	.			trans	-88.9	161.4	170.8	-75	-67.6	146.7	0	0	110.3	V200 N201 Q202 M691 H692 K693	V200-E689 VanDerWaalsContact CA-OE1 3.23Å; V200-E689 WeakPolarHBondContact CA-OE1 3.47Å; V200-E689 HydrophobicContact CB-CG 4.34Å; V200-E689 WeakPolarHBondContact CB-OE1 3.3Å; V200-E689 HydrophobicContact CG1-CG 3.92Å; N201-E689 PolarHBondContact N-OE1 3.39Å; N201-E689 PolarHBondContact ND2-OE2 3.45Å; Q202-E689 PolarHBondContact OE1-OE1 2.91Å; E689-M691 PolarHBondContact O-N 3.26Å; E689-M691 VanDerWaalsContact O-N 3.15Å; E689-H692 PolarHBondContact N-ND1 2.89Å; E689-H692 VanDerWaalsContact N-ND1 3.14Å; E689-H692 WeakPolarHBondContact O-CB 3.24Å; E689-H692 PolarHBondContact O-N 2.9Å; E689-K693 PolarHBondContact O-N 3.34Å
690	P	80.6	Confident	90.5	Very high	9 Å²	9	34 Å²	34	6%	0.058	15%	0.146	C	C	.	.	H	α-helix	trans	-48.1	-41.9	172	-26	32.9	0	0	0	112.7	I235 H692 K693 S694 N715	I235-P690 HydrophobicContact CD1-CG 4.34Å; I235-P690 HydrophobicContact CG1-CB 4.47Å; P690-H692 VanDerWaalsContact C-N 3.32Å; P690-H692 PolarHBondContact O-N 3.02Å; P690-K693 WeakPolarHBondContact O-CB 3.38Å; P690-K693 PolarHBondContact O-N 3.45Å; P690-K693 VanDerWaalsContact O-N 3.17Å; P690-S694 PolarHBondContact O-N 3.49Å; P690-N715 HydrophobicContact CB-CB 4.37Å; P690-N715 WeakPolarHBondContact CB-O 3.38Å; P690-N715 HydrophobicContact CG-CB 3.87Å
691	M	83.1	Confident	90.4	Very high	107 Å²	107	29.9 Å²	29.9	53%	0.527	13%	0.132	S	C	.	.	H	α-helix	trans	-65.7	-29.9	179.4	-63	-168.6	57.5	0	0	114	Q238 E689 K693 S694 K695	Q238-M691 VanDerWaalsContact NE2-CG 3.33Å; Q238-M691 PolarHBondContact NE2-SD 3.25Å; E689-M691 PolarHBondContact O-N 3.26Å; E689-M691 VanDerWaalsContact O-N 3.15Å; M691-K693 VanDerWaalsContact C-N 3.3Å; M691-S694 PolarHBondContact O-OG 2.97Å; M691-S694 VanDerWaalsContact O-OG 3.07Å; M691-K695 VanDerWaalsContact O-CB 3.31Å; M691-K695 WeakPolarHBondContact O-CB 3.36Å; M691-K695 PolarHBondContact O-N 3.4Å; M691-K695 VanDerWaalsContact O-N 3.12Å
692	H	89.7	Confident	90.2	Very high	12 Å²	12	29.5 Å²	29.5	6%	0.056	14%	0.135	C	C	.	.	H	α-helix	trans	-69.4	-35.4	176.6	-60.8	153.2	0	0	0	110.6	D668 V688 E689 P690 K695 I696	D668-H692 IonicContact OD1-CD2 3.09Å; D668-H692 IonicContact OD1-NE2 3.18Å; D668-H692 PolarHBondContact OD1-NE2 3.34Å; D668-H692 IonicContact OD2-CE1 2.75Å; D668-H692 PolarHBondContact OD2-CE1 2.87Å; D668-H692 IonicContact OD2-NE2 3.97Å; D668-H692 PolarHBondContact OD2-NE2 3.31Å; V688-H692 HydrophobicContact CB-CB 3.96Å; V688-H692 HydrophobicContact CG1-CB 3.62Å; E689-H692 PolarHBondContact N-ND1 2.89Å; E689-H692 VanDerWaalsContact N-ND1 3.14Å; E689-H692 WeakPolarHBondContact O-CB 3.24Å; E689-H692 PolarHBondContact O-N 2.9Å; P690-H692 VanDerWaalsContact C-N 3.32Å; P690-H692 PolarHBondContact O-N 3.02Å; H692-K695 PolarHBondContact O-N 3.44Å; H692-I696 WeakPolarHBondContact O-CB 3.21Å; H692-I696 WeakPolarHBondContact O-CD1 3.48Å; H692-I696 WeakPolarHBondContact O-CG1 3.46Å; H692-I696 PolarHBondContact O-N 2.86Å
693	K	91.5	Very high	90	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.017	15%	0.146	C	C	.	.	H	α-helix	trans	-61.5	-49.4	179.8	-53.9	-163	167.5	-160.6	0	110.8	D351 I633 E689 P690 M691 I696 V697 M709 D716 A719	D351-K693 IonicContact OD1-NZ 3.64Å; D351-K693 PolarHBondContact OD1-NZ 3.1Å; I633-K693 HydrophobicContact CG2-CD 4.06Å; I633-K693 HydrophobicContact CG2-CG 3.79Å; E689-K693 PolarHBondContact O-N 3.34Å; P690-K693 WeakPolarHBondContact O-CB 3.38Å; P690-K693 PolarHBondContact O-N 3.45Å; P690-K693 VanDerWaalsContact O-N 3.17Å; M691-K693 VanDerWaalsContact C-N 3.3Å; K693-I696 PolarHBondContact O-N 3.32Å; K693-V697 WeakPolarHBondContact O-CG2 3.33Å; K693-V697 PolarHBondContact O-N 3.43Å; K693-M709 HydrophobicContact CB-CE 4.1Å; K693-M709 HydrophobicContact CD-CE 3.71Å; K693-M709 HydrophobicContact CG-CE 4.34Å; K693-D716 VanDerWaalsContact CD-OD1 3.28Å; K693-D716 WeakPolarHBondContact CD-OD1 3.16Å; K693-D716 WeakPolarHBondContact CE-OD1 3.32Å; K693-D716 IonicContact NZ-OD1 2.72Å; K693-D716 PolarHBondContact NZ-OD1 3.28Å; K693-A719 HydrophobicContact CB-CB 3.53Å
694	S	90.5	Very high	89.7	Confident	23 Å²	23	30.7 Å²	30.7	16%	0.161	16%	0.157	C	C	.	.	H	α-helix	trans	-65.7	-39	177.4	57.9	0	0	0	0	112.4	P690 M691 V697 E698	P690-S694 PolarHBondContact O-N 3.49Å; M691-S694 PolarHBondContact O-OG 2.97Å; M691-S694 VanDerWaalsContact O-OG 3.07Å; S694-V697 WeakPolarHBondContact O-CB 3.44Å; S694-V697 PolarHBondContact O-N 2.76Å; S694-E698 WeakPolarHBondContact O-CB 3.47Å; S694-E698 PolarHBondContact O-N 3.48Å
695	K	92.3	Very high	89.5	Confident	59 Å²	59	33.7 Å²	33.7	26%	0.257	17%	0.171	S	C	.	.	H	α-helix	trans	-66.3	-36.7	178	-163.7	178.7	-167.4	-169.9	0	113.4	F667 M691 H692 V697 E698 F699	F667-K695 HydrophobicContact CE1-CD 4.33Å; M691-K695 VanDerWaalsContact O-CB 3.31Å; M691-K695 WeakPolarHBondContact O-CB 3.36Å; M691-K695 PolarHBondContact O-N 3.4Å; M691-K695 VanDerWaalsContact O-N 3.12Å; H692-K695 PolarHBondContact O-N 3.44Å; K695-V697 VanDerWaalsContact C-N 3.35Å; K695-E698 PolarHBondContact O-N 2.83Å; K695-F699 HydrophobicContact CD-CE2 4.08Å; K695-F699 HydrophobicContact CG-CD2 4.19Å; K695-F699 HydrophobicContact CG-CE2 3.74Å; K695-F699 HydrophobicContact CG-CZ 4.32Å; K695-F699 WeakPolarHBondContact O-CD2 3.41Å; K695-F699 PolarHBondContact O-N 2.82Å; K695-F699 VanDerWaalsContact O-N 3.11Å
696	I	94.7	Very high	89.4	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.1	-46.3	174.1	-70.9	159.1	0	0	0	109.7	I633 F667 F685 H692 K693 F699 L700	I633-I696 HydrophobicContact CD1-CD1 4.01Å; I633-I696 HydrophobicContact CD1-CG2 4.17Å; F667-I696 HydrophobicContact CE1-CG1 4.49Å; F667-I696 HydrophobicContact CZ-CG1 4.46Å; F685-I696 HydrophobicContact CB-CD1 4.03Å; F685-I696 HydrophobicContact CD1-CD1 3.9Å; F685-I696 HydrophobicContact CD2-CD1 3.57Å; F685-I696 HydrophobicContact CD2-CG1 4.31Å; F685-I696 HydrophobicContact CE1-CD1 4.21Å; F685-I696 HydrophobicContact CE1-CG1 4.39Å; F685-I696 HydrophobicContact CE2-CD1 3.89Å; F685-I696 HydrophobicContact CE2-CG1 4.12Å; F685-I696 HydrophobicContact CE2-CG2 4.14Å; F685-I696 HydrophobicContact CG-CD1 3.56Å; F685-I696 HydrophobicContact CZ-CD1 4.2Å; F685-I696 HydrophobicContact CZ-CG1 4.16Å; H692-I696 WeakPolarHBondContact O-CB 3.21Å; H692-I696 WeakPolarHBondContact O-CD1 3.48Å; H692-I696 WeakPolarHBondContact O-CG1 3.46Å; H692-I696 PolarHBondContact O-N 2.86Å; K693-I696 PolarHBondContact O-N 3.32Å; I696-F699 PolarHBondContact O-N 3.25Å; I696-L700 HydrophobicContact CG2-CD1 4.17Å; I696-L700 WeakPolarHBondContact O-CG 3.39Å; I696-L700 PolarHBondContact O-N 3.49Å
697	V	93.8	Very high	89.7	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57.3	-52.4	175.3	168.8	0	0	0	0	110	K693 S694 K695 F699 L700 Q701 M709 K722 A723	K693-V697 WeakPolarHBondContact O-CG2 3.33Å; K693-V697 PolarHBondContact O-N 3.43Å; S694-V697 WeakPolarHBondContact O-CB 3.44Å; S694-V697 PolarHBondContact O-N 2.76Å; K695-V697 VanDerWaalsContact C-N 3.35Å; V697-F699 VanDerWaalsContact C-N 3.35Å; V697-F699 PolarHBondContact O-N 3.42Å; V697-L700 WeakPolarHBondContact O-CA 3.47Å; V697-L700 WeakPolarHBondContact O-CB 3.31Å; V697-L700 PolarHBondContact O-N 3.11Å; V697-Q701 HydrophobicContact CG1-CG 4.17Å; V697-Q701 VanDerWaalsContact O-CG 3.32Å; V697-Q701 WeakPolarHBondContact O-CG 3.36Å; V697-Q701 PolarHBondContact O-N 3.29Å; V697-M709 HydrophobicContact CG2-CB 4.38Å; V697-K722 HydrophobicContact CG1-CB 4.26Å; V697-K722 HydrophobicContact CG1-CG 3.96Å; V697-A723 HydrophobicContact CG1-CB 3.97Å; V697-A723 HydrophobicContact CG2-CB 4.42Å
698	E	92.3	Very high	90.3	Very high	80 Å²	80	29.4 Å²	29.4	37%	0.374	16%	0.155	S	C	.	.	H	α-helix	trans	-51.6	-48	179	-178.2	176.4	-149.4	0	0	112.9	S694 K695 L700 Q701 E702	S694-E698 WeakPolarHBondContact O-CB 3.47Å; S694-E698 PolarHBondContact O-N 3.48Å; K695-E698 PolarHBondContact O-N 2.83Å; E698-L700 VanDerWaalsContact C-N 3.31Å; E698-L700 PolarHBondContact O-N 3.09Å; E698-Q701 WeakPolarHBondContact O-CB 3.33Å; E698-Q701 PolarHBondContact O-N 3.16Å; E698-E702 WeakPolarHBondContact O-CG 3.41Å; E698-E702 PolarHBondContact O-N 3Å
699	F	94.9	Very high	90.7	Very high	10 Å²	10	29.2 Å²	29.2	4%	0.044	15%	0.154	C	C	.	.	H	α-helix	trans	-64.3	-33.1	177.3	-71.9	-47.4	0	0	0	113.8	F667 I672 Q675 R676 C679 K695 I696 V697 D703	F667-F699 HydrophobicContact CE1-CE2 4.38Å; F667-F699 AromaticContact CZ-CD2 3.99Å; F667-F699 HydrophobicContact CZ-CD2 3.99Å; F667-F699 AromaticContact CZ-CE2 3.82Å; F667-F699 HydrophobicContact CZ-CE2 3.82Å; I672-F699 HydrophobicContact CG2-CE1 4.31Å; I672-F699 HydrophobicContact CG2-CZ 4.34Å; Q675-F699 HydrophobicContact CB-CE2 3.7Å; Q675-F699 HydrophobicContact CB-CZ 3.99Å; R676-F699 HydrophobicContact CB-CD1 4.05Å; R676-F699 HydrophobicContact CB-CE1 4.35Å; R676-F699 HydrophobicContact CB-CG 4.43Å; R676-F699 HydrophobicContact CG-CD1 4.24Å; C679-F699 HydrophobicContact CB-CB 4.06Å; K695-F699 HydrophobicContact CD-CE2 4.08Å; K695-F699 HydrophobicContact CG-CD2 4.19Å; K695-F699 HydrophobicContact CG-CE2 3.74Å; K695-F699 HydrophobicContact CG-CZ 4.32Å; K695-F699 WeakPolarHBondContact O-CD2 3.41Å; K695-F699 PolarHBondContact O-N 2.82Å; K695-F699 VanDerWaalsContact O-N 3.11Å; I696-F699 PolarHBondContact O-N 3.25Å; V697-F699 VanDerWaalsContact C-N 3.35Å; V697-F699 PolarHBondContact O-N 3.42Å; F699-D703 PolarHBondContact O-N 2.84Å
700	L	94	Very high	91.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-68.7	-41.6	175	-66.3	170	0	0	0	110.8	V347 C349 R629 I631 C679 I696 V697 E698 D703 G704 E705	V347-L700 HydrophobicContact CB-CD1 4.4Å; V347-L700 HydrophobicContact CG1-CD1 3.9Å; V347-L700 HydrophobicContact CG2-CD2 4.4Å; C349-L700 VanDerWaalsContact SG-CD1 3.58Å; R629-L700 VanDerWaalsContact NH2-CD2 3.32Å; I631-L700 HydrophobicContact CD1-CD1 4.3Å; C679-L700 HydrophobicContact CB-CD2 4.45Å; I696-L700 HydrophobicContact CG2-CD1 4.17Å; I696-L700 WeakPolarHBondContact O-CG 3.39Å; I696-L700 PolarHBondContact O-N 3.49Å; V697-L700 WeakPolarHBondContact O-CA 3.47Å; V697-L700 WeakPolarHBondContact O-CB 3.31Å; V697-L700 PolarHBondContact O-N 3.11Å; E698-L700 VanDerWaalsContact C-N 3.31Å; E698-L700 PolarHBondContact O-N 3.09Å; L700-D703 PolarHBondContact O-N 3.06Å; L700-D703 VanDerWaalsContact O-N 3.16Å; L700-G704 PolarHBondContact O-N 2.75Å; L700-E705 HydrophobicContact CB-CB 4.28Å; L700-E705 WeakPolarHBondContact O-CB 3.33Å; L700-E705 PolarHBondContact O-N 3.13Å; L700-E705 VanDerWaalsContact O-N 3.09Å
701	Q	90.3	Very high	91.8	Very high	33 Å²	33	27.8 Å²	27.8	15%	0.154	15%	0.146	C	C	.	.	H	α-helix	trans	-62.4	-43.9	176.9	-61.2	-177.2	-57.7	0	0	111.5	V697 E698 D703 G704 K722 E724	V697-Q701 HydrophobicContact CG1-CG 4.17Å; V697-Q701 VanDerWaalsContact O-CG 3.32Å; V697-Q701 WeakPolarHBondContact O-CG 3.36Å; V697-Q701 PolarHBondContact O-N 3.29Å; E698-Q701 WeakPolarHBondContact O-CB 3.33Å; E698-Q701 PolarHBondContact O-N 3.16Å; Q701-D703 PolarHBondContact O-N 3.04Å; Q701-G704 WeakPolarHBondContact O-CA 3.32Å; Q701-G704 PolarHBondContact O-N 2.82Å; Q701-K722 PolarHBondContact NE2-O 3.47Å; Q701-E724 WeakPolarHBondContact CG-OE1 3.46Å; Q701-E724 VanDerWaalsContact NE2-CD 3.31Å; Q701-E724 PolarHBondContact NE2-OE1 2.89Å
702	E	89.8	Confident	91.9	Very high	99 Å²	99	23.6 Å²	23.6	46%	0.463	13%	0.126	S	C	.	.	H	α-helix	trans	-61.7	-26	176.2	-74	-175	179	0	0	113.5	R676 E698 G704	R676-E702 IonicContact CZ-OE2 3.61Å; R676-E702 IonicContact NH1-OE2 2.71Å; R676-E702 PolarHBondContact NH1-OE2 2.79Å; R676-E702 VanDerWaalsContact NH2-C 3.34Å; R676-E702 PolarHBondContact NH2-O 2.89Å; E698-E702 WeakPolarHBondContact O-CG 3.41Å; E698-E702 PolarHBondContact O-N 3Å; E702-G704 VanDerWaalsContact C-N 3.28Å
703	D	89.5	Confident	91.6	Very high	43 Å²	43	23.2 Å²	23.2	23%	0.23	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	-4.2	173.5	-77.7	-20.1	0	0	0	113.3	R676 R680 F699 L700 Q701 E705	R676-D703 IonicContact CZ-OD1 3.33Å; R676-D703 IonicContact NE-OD1 3.51Å; R676-D703 PolarHBondContact NE-OD1 3.11Å; R676-D703 IonicContact NH2-OD1 3.71Å; R676-D703 PolarHBondContact NH2-OD1 2.9Å; R680-D703 WeakPolarHBondContact CD-OD2 3.36Å; R680-D703 WeakPolarHBondContact CG-OD2 3.34Å; R680-D703 IonicContact CZ-OD1 2.93Å; R680-D703 IonicContact CZ-OD2 2.74Å; R680-D703 VanDerWaalsContact NE-CG 3.34Å; R680-D703 IonicContact NE-OD1 2.97Å; R680-D703 PolarHBondContact NE-OD1 3.36Å; R680-D703 IonicContact NE-OD2 2.76Å; R680-D703 PolarHBondContact NE-OD2 2.84Å; R680-D703 IonicContact NH2-OD1 2.64Å; R680-D703 PolarHBondContact NH2-OD1 3.33Å; R680-D703 IonicContact NH2-OD2 3.16Å; F699-D703 PolarHBondContact O-N 2.84Å; L700-D703 PolarHBondContact O-N 3.06Å; L700-D703 VanDerWaalsContact O-N 3.16Å; Q701-D703 PolarHBondContact O-N 3.04Å; D703-E705 HydrophobicContact CB-CG 4.44Å
704	G	88.1	Confident	91.3	Very high	46 Å²	46	23 Å²	23	47%	0.474	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	17.6	-178.8	0	0	0	0	0	113.9	L700 Q701 E702	L700-G704 PolarHBondContact O-N 2.75Å; Q701-G704 WeakPolarHBondContact O-CA 3.32Å; Q701-G704 PolarHBondContact O-N 2.82Å; E702-G704 VanDerWaalsContact C-N 3.28Å
705	E	92.1	Very high	91	Very high	64 Å²	64	22.2 Å²	22.2	30%	0.299	12%	0.119	S	C	.	.			trans	-78.9	139.6	172.3	-62.5	-81	-154.5	0	0	109.9	S346 V347 L700 D703 S707	S346-E705 WeakPolarHBondContact CB-OE2 3.39Å; S346-E705 PolarHBondContact OG-OE2 3.08Å; V347-E705 HydrophobicContact CG2-CB 4.06Å; V347-E705 HydrophobicContact CG2-CG 4.15Å; L700-E705 HydrophobicContact CB-CB 4.28Å; L700-E705 WeakPolarHBondContact O-CB 3.33Å; L700-E705 PolarHBondContact O-N 3.13Å; L700-E705 VanDerWaalsContact O-N 3.09Å; D703-E705 HydrophobicContact CB-CG 4.44Å; E705-S707 PolarHBondContact O-N 3.33Å
706	V	92.9	Very high	90.8	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.012	11%	0.106	C	C	.	.			trans	-87.5	107.9	170.6	-178.8	0	0	0	0	107.8	T341 C344 S346 V347 E724 I833	T341-V706 HydrophobicContact CG2-CG1 3.97Å; C344-V706 HydrophobicContact CB-CG1 4.44Å; C344-V706 HydrophobicContact CB-CG2 3.99Å; C344-V706 WeakPolarHBondContact O-CB 3.28Å; S346-V706 PolarHBondContact N-O 3.17Å; S346-V706 PolarHBondContact OG-N 3.13Å; S346-V706 PolarHBondContact OG-O 3.11Å; V347-V706 PolarHBondContact N-O 3.31Å; V706-E724 HydrophobicContact CG1-CB 3.93Å; V706-E724 HydrophobicContact CG1-CG 4.11Å; V706-I833 HydrophobicContact CG2-CD1 3.41Å; V706-I833 VanDerWaalsContact CG2-CD1 3.41Å; V706-I833 HydrophobicContact CG2-CG1 3.54Å
707	S	93.7	Very high	90.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.1	-175	69.9	0	0	0	0	111.6	V347 E705 E724 I725	V347-S707 WeakPolarHBondContact O-CA 3.17Å; E705-S707 PolarHBondContact O-N 3.33Å; S707-E724 WeakPolarHBondContact CA-OE2 3.23Å; S707-E724 WeakPolarHBondContact CB-OE2 3.38Å; S707-E724 PolarHBondContact N-OE2 3.49Å; S707-E724 PolarHBondContact O-N 2.97Å; S707-E724 PolarHBondContact OG-OE2 3.36Å; S707-I725 PolarHBondContact O-N 3.18Å
708	A	95.5	Very high	90.3	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.008	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	126.4	164.2	0	0	0	0	0	108.6	T345 V347 I348 C349 I725 I727	T345-A708 HydrophobicContact CG2-CB 3.7Å; V347-A708 PolarHBondContact O-N 3.1Å; I348-A708 CarbonylContact C-O 3.58Å; I348-A708 WeakPolarHBondContact CA-O 3.46Å; I348-A708 HydrophobicContact CG1-CB 4.27Å; C349-A708 PolarHBondContact N-O 2.93Å; A708-I725 CarbonylContact C-O 3.6Å; A708-I725 VanDerWaalsContact CA-O 3.31Å; A708-I725 WeakPolarHBondContact CA-O 3.5Å; A708-I725 HydrophobicContact CB-CB 4.3Å; A708-I727 HydrophobicContact CB-CD1 4.11Å
709	M	95.5	Very high	90.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.5	176.7	-179.1	63.4	-172.8	0	0	109.5	C349 I633 K693 V697 A719 L720 A723 I725 I727	C349-M709 HydrophobicContact CB-SD 3.47Å; C349-M709 WeakPolarHBondContact CB-SD 3.48Å; C349-M709 CarbonylContact O-C 3.6Å; C349-M709 VanDerWaalsContact O-CA 3.29Å; C349-M709 WeakPolarHBondContact O-CA 3.42Å; I633-M709 HydrophobicContact CD1-CE 4.42Å; I633-M709 HydrophobicContact CD1-SD 4.24Å; K693-M709 HydrophobicContact CB-CE 4.1Å; K693-M709 HydrophobicContact CD-CE 3.71Å; K693-M709 HydrophobicContact CG-CE 4.34Å; V697-M709 HydrophobicContact CG2-CB 4.38Å; M709-A719 HydrophobicContact CE-CB 4.15Å; M709-A719 HydrophobicContact CG-CB 3.88Å; M709-A719 HydrophobicContact SD-CB 4.41Å; M709-L720 HydrophobicContact CB-CD2 4.44Å; M709-L720 HydrophobicContact CG-CD2 4.26Å; M709-L720 WeakPolarHBondContact O-CD2 3.3Å; M709-A723 HydrophobicContact CB-CB 3.63Å; M709-I725 PolarHBondContact N-O 3.22Å; M709-I727 PolarHBondContact O-N 2.89Å
710	T	94.1	Very high	90.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	143.7	173	86.8	0	0	0	0	112	I348 C349 S350 D351 T355 I727 I752	I348-T710 HydrophobicContact CG2-CG2 4.21Å; C349-T710 PolarHBondContact O-N 2.88Å; S350-T710 WeakPolarHBondContact CA-OG1 3.18Å; S350-T710 WeakPolarHBondContact CB-OG1 3.4Å; S350-T710 PolarHBondContact OG-OG1 3.31Å; D351-T710 PolarHBondContact N-O 2.71Å; D351-T710 PolarHBondContact N-OG1 2.96Å; T355-T710 VanDerWaalsContact CG2-OG1 3.31Å; T355-T710 WeakPolarHBondContact CG2-OG1 3.49Å; T710-I727 CarbonylContact C-O 3.6Å; T710-I727 WeakPolarHBondContact CA-O 3.48Å; T710-I727 HydrophobicContact CG2-CB 4.14Å; T710-I727 HydrophobicContact CG2-CD1 4.45Å; T710-I727 HydrophobicContact CG2-CG2 4.46Å; T710-I752 HydrophobicContact CG2-CD1 3.71Å
711	G	89.7	Confident	89.8	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	166.5	177.3	0	0	0	0	0	113.6	D716 I727 A728 M729	G711-D716 WeakPolarHBondContact CA-OD2 3.42Å; G711-I727 PolarHBondContact N-O 3.03Å; G711-A728 VanDerWaalsContact O-CA 3.29Å; G711-A728 WeakPolarHBondContact O-CA 3.29Å; G711-M729 PolarHBondContact O-N 3.35Å; G711-M729 VanDerWaalsContact O-N 3.11Å
712	D	86.1	Confident	89.8	Confident	20 Å²	20	18.8 Å²	18.8	11%	0.107	10%	0.102	C	C	.	.	S	Bend	trans	-129.3	-21.5	178.6	73.9	-30.1	0	0	0	112.5	D716 M729 G732 T733 A736	D712-D716 PolarHBondContact N-OD2 3.48Å; D712-M729 HydrophobicContact CB-CB 3.92Å; D712-M729 HydrophobicContact CB-CG 3.74Å; D712-G732 WeakPolarHBondContact O-CA 3.46Å; D712-T733 WeakPolarHBondContact O-CB 3.42Å; D712-T733 WeakPolarHBondContact O-CG2 3.4Å; D712-T733 PolarHBondContact O-N 3Å; D712-T733 PolarHBondContact O-OG1 3.12Å; D712-A736 WeakPolarHBondContact O-CB 3.42Å
713	G	82.5	Confident	89.9	Confident	4 Å²	4	14.4 Å²	14.4	4%	0.041	8%	0.082	C	C	.	.	S	Bend	trans	-102.9	171.8	-173.8	0	0	0	0	0	114.9	N715 D716	G713-N715 WeakPolarHBondContact CA-OD1 3.41Å; G713-N715 PolarHBondContact O-N 3.08Å; G713-D716 PolarHBondContact N-OD2 2.98Å; G713-D716 PolarHBondContact O-N 3.32Å
714	V	84.8	Confident	90	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-67.1	-30.7	176.8	177.8	0	0	0	0	111.1	L119 Y122 I179 I235 D716 A717 V735	L119-V714 HydrophobicContact CD2-CG1 3.45Å; L119-V714 VanDerWaalsContact CD2-CG1 3.45Å; Y122-V714 HydrophobicContact CE2-CG2 4.01Å; I179-V714 HydrophobicContact CB-CB 4.28Å; I179-V714 HydrophobicContact CB-CG2 4.11Å; I179-V714 HydrophobicContact CG2-CG2 4.24Å; I179-V714 WeakPolarHBondContact O-CB 3.35Å; I179-V714 PolarHBondContact O-N 3.42Å; I235-V714 HydrophobicContact CD1-CG1 4.42Å; I235-V714 HydrophobicContact CG2-CG1 4.24Å; V714-D716 PolarHBondContact O-N 3.17Å; V714-A717 WeakPolarHBondContact O-CB 3.5Å; V714-A717 PolarHBondContact O-N 2.99Å; V714-V735 HydrophobicContact CG1-CG1 4.21Å; V714-V735 HydrophobicContact CG2-CB 4.04Å; V714-V735 HydrophobicContact CG2-CG1 4.32Å; V714-V735 HydrophobicContact CG2-CG2 4.2Å
715	N	83.6	Confident	90.2	Very high	5 Å²	5	12.3 Å²	12.3	3%	0.027	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-60	-21.3	172.6	57.3	-60.5	0	0	0	114.4	I179 L180 P690 G713	I179-N715 PolarHBondContact O-N 3.29Å; I179-N715 PolarHBondContact O-OD1 3.32Å; L180-N715 WeakPolarHBondContact O-CB 3.21Å; P690-N715 HydrophobicContact CB-CB 4.37Å; P690-N715 WeakPolarHBondContact CB-O 3.38Å; P690-N715 HydrophobicContact CG-CB 3.87Å; G713-N715 WeakPolarHBondContact CA-OD1 3.41Å; G713-N715 PolarHBondContact O-N 3.08Å
716	D	89.6	Confident	90.2	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-90.7	-19.4	179.9	-57.8	-38.7	0	0	0	112.3	K693 G711 D712 G713 V714 P718 A719 L720	K693-D716 VanDerWaalsContact CD-OD1 3.28Å; K693-D716 WeakPolarHBondContact CD-OD1 3.16Å; K693-D716 WeakPolarHBondContact CE-OD1 3.32Å; K693-D716 IonicContact NZ-OD1 2.72Å; K693-D716 PolarHBondContact NZ-OD1 3.28Å; G711-D716 WeakPolarHBondContact CA-OD2 3.42Å; D712-D716 PolarHBondContact N-OD2 3.48Å; G713-D716 PolarHBondContact N-OD2 2.98Å; G713-D716 PolarHBondContact O-N 3.32Å; V714-D716 PolarHBondContact O-N 3.17Å; D716-P718 VanDerWaalsContact C-CD 3.48Å; D716-A719 CarbonylContact O-C 3.47Å; D716-A719 PolarHBondContact O-N 3.34Å; D716-L720 HydrophobicContact CB-CD1 3.87Å; D716-L720 HydrophobicContact CB-CG 4.09Å; D716-L720 WeakPolarHBondContact O-CB 3.27Å; D716-L720 WeakPolarHBondContact O-CG 3.3Å; D716-L720 PolarHBondContact O-N 3.35Å
717	A	88.1	Confident	90.4	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-55.2	-40.4	-171.6	0	0	0	0	0	114.5	M239 V714 L720 K721 V735 A739	M239-A717 HydrophobicContact CE-CB 3.93Å; M239-A717 HydrophobicContact CG-CB 4.46Å; M239-A717 HydrophobicContact SD-CB 3.51Å; M239-A717 VanDerWaalsContact SD-CB 3.51Å; V714-A717 WeakPolarHBondContact O-CB 3.5Å; V714-A717 PolarHBondContact O-N 2.99Å; A717-L720 PolarHBondContact O-N 3.07Å; A717-K721 WeakPolarHBondContact O-CB 3.35Å; A717-K721 PolarHBondContact O-N 3.3Å; A717-V735 HydrophobicContact CB-CG1 3.79Å; A717-A739 HydrophobicContact CB-CB 3.92Å
718	P	88.4	Confident	90.3	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-63.7	-41.6	174.7	-22.8	35.2	0	0	0	112.6	I235 Q238 M239 D716 K722	I235-P718 HydrophobicContact CB-CG 4.39Å; I235-P718 HydrophobicContact CG2-CG 3.68Å; Q238-P718 HydrophobicContact CB-CB 4.15Å; Q238-P718 HydrophobicContact CB-CG 4.4Å; M239-P718 HydrophobicContact CG-CG 4.24Å; D716-P718 VanDerWaalsContact C-CD 3.48Å; P718-K722 VanDerWaalsContact O-CB 3.23Å; P718-K722 WeakPolarHBondContact O-CB 3.3Å; P718-K722 PolarHBondContact O-N 3.05Å
719	A	92	Very high	90.1	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-74	-35.9	-180	0	0	0	0	0	112.2	K693 M709 D716 K722 A723	K693-A719 HydrophobicContact CB-CB 3.53Å; M709-A719 HydrophobicContact CE-CB 4.15Å; M709-A719 HydrophobicContact CG-CB 3.88Å; M709-A719 HydrophobicContact SD-CB 4.41Å; D716-A719 CarbonylContact O-C 3.47Å; D716-A719 PolarHBondContact O-N 3.34Å; A719-K722 PolarHBondContact O-N 3.48Å; A719-A723 WeakPolarHBondContact O-CB 3.48Å; A719-A723 PolarHBondContact O-N 3.49Å
720	L	92	Very high	89.7	Confident	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-61	-45.7	173.4	-72.2	171.6	0	0	0	111.2	M709 D716 A717 G726 I727 A736 A739	M709-L720 HydrophobicContact CB-CD2 4.44Å; M709-L720 HydrophobicContact CG-CD2 4.26Å; M709-L720 WeakPolarHBondContact O-CD2 3.3Å; D716-L720 HydrophobicContact CB-CD1 3.87Å; D716-L720 HydrophobicContact CB-CG 4.09Å; D716-L720 WeakPolarHBondContact O-CB 3.27Å; D716-L720 WeakPolarHBondContact O-CG 3.3Å; D716-L720 PolarHBondContact O-N 3.35Å; A717-L720 PolarHBondContact O-N 3.07Å; L720-G726 VanDerWaalsContact O-CA 3.25Å; L720-G726 WeakPolarHBondContact O-CA 3.48Å; L720-G726 PolarHBondContact O-N 3.31Å; L720-I727 WeakPolarHBondContact CD2-O 3.47Å; L720-A736 HydrophobicContact CD1-CB 3.93Å; L720-A739 HydrophobicContact CB-CB 4.32Å
721	K	87.9	Confident	89.1	Confident	58 Å²	58	14.1 Å²	14.1	25%	0.252	8%	0.083	S	C	.	.	H	α-helix	trans	-71.6	-30.7	178.5	-171.3	174	178.9	-174.6	0	112.7	M239 T242 A717	M239-K721 HydrophobicContact CB-CD 4.36Å; M239-K721 WeakPolarHBondContact O-CD 3.4Å; M239-K721 WeakPolarHBondContact O-CE 3.33Å; M239-K721 PolarHBondContact O-NZ 2.97Å; T242-K721 HydrophobicContact CG2-CG 4.22Å; T242-K721 WeakPolarHBondContact O-CE 3.31Å; A717-K721 WeakPolarHBondContact O-CB 3.35Å; A717-K721 PolarHBondContact O-N 3.3Å
722	K	89.9	Confident	88.7	Confident	53 Å²	53	14.6 Å²	14.6	23%	0.23	9%	0.087	C	C	.	.	H	α-helix	trans	-77.5	-36.8	-179.1	-172.9	65.1	178.6	173.8	0	112.7	T242 V697 Q701 P718 A719	T242-K722 HydrophobicContact CG2-CB 3.98Å; T242-K722 HydrophobicContact CG2-CD 3.57Å; T242-K722 HydrophobicContact CG2-CG 4.4Å; V697-K722 HydrophobicContact CG1-CB 4.26Å; V697-K722 HydrophobicContact CG1-CG 3.96Å; Q701-K722 PolarHBondContact NE2-O 3.47Å; P718-K722 VanDerWaalsContact O-CB 3.23Å; P718-K722 WeakPolarHBondContact O-CB 3.3Å; P718-K722 PolarHBondContact O-N 3.05Å; A719-K722 PolarHBondContact O-N 3.48Å
723	A	92.1	Very high	88.5	Confident	6 Å²	6	15.1 Å²	15.1	5%	0.05	9%	0.091	C	C	.	.	S	Bend	trans	-62.4	151.8	179.7	0	0	0	0	0	110.9	V697 M709 A719 I725	V697-A723 HydrophobicContact CG1-CB 3.97Å; V697-A723 HydrophobicContact CG2-CB 4.42Å; M709-A723 HydrophobicContact CB-CB 3.63Å; A719-A723 WeakPolarHBondContact O-CB 3.48Å; A719-A723 PolarHBondContact O-N 3.49Å; A723-I725 PolarHBondContact O-N 3.37Å; A723-I725 VanDerWaalsContact O-N 3.1Å
724	E	90.9	Very high	88.5	Confident	46 Å²	46	16.8 Å²	16.8	22%	0.215	11%	0.105	C	C	.	.	S	Bend	trans	-56.6	-27.7	171.9	-73.8	71.3	-152.7	0	0	111.6	T341 Q701 V706 S707	T341-E724 HydrophobicContact CG2-CB 3.85Å; Q701-E724 WeakPolarHBondContact CG-OE1 3.46Å; Q701-E724 VanDerWaalsContact NE2-CD 3.31Å; Q701-E724 PolarHBondContact NE2-OE1 2.89Å; V706-E724 HydrophobicContact CG1-CB 3.93Å; V706-E724 HydrophobicContact CG1-CG 4.11Å; S707-E724 WeakPolarHBondContact CA-OE2 3.23Å; S707-E724 WeakPolarHBondContact CB-OE2 3.38Å; S707-E724 PolarHBondContact N-OE2 3.49Å; S707-E724 PolarHBondContact O-N 2.97Å; S707-E724 PolarHBondContact OG-OE2 3.36Å
725	I	92.4	Very high	88.4	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	108.6	175	-48.2	176	0	0	0	110.3	T341 L342 S707 A708 M709 A723 I727 D741	T341-I725 VanDerWaalsContact C-CD1 3.42Å; T341-I725 HydrophobicContact CG2-CD1 3.94Å; T341-I725 HydrophobicContact CG2-CG1 3.77Å; L342-I725 HydrophobicContact CB-CD1 3.59Å; L342-I725 HydrophobicContact CD1-CB 4.43Å; L342-I725 HydrophobicContact CD1-CD1 3.52Å; L342-I725 HydrophobicContact CD1-CG2 3.54Å; L342-I725 HydrophobicContact CG-CD1 3.86Å; S707-I725 PolarHBondContact O-N 3.18Å; A708-I725 CarbonylContact C-O 3.6Å; A708-I725 VanDerWaalsContact CA-O 3.31Å; A708-I725 WeakPolarHBondContact CA-O 3.5Å; A708-I725 HydrophobicContact CB-CB 4.3Å; M709-I725 PolarHBondContact N-O 3.22Å; A723-I725 PolarHBondContact O-N 3.37Å; A723-I725 VanDerWaalsContact O-N 3.1Å; I725-I727 HydrophobicContact CG2-CD1 4.42Å; I725-I727 HydrophobicContact CG2-CG1 3.91Å; I725-D741 HydrophobicContact CG2-CB 4.43Å
726	G	93.7	Very high	88.6	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	128.6	164.5	0	0	0	0	0	111.3	L720 A740 D741 M742	L720-G726 VanDerWaalsContact O-CA 3.25Å; L720-G726 WeakPolarHBondContact O-CA 3.48Å; L720-G726 PolarHBondContact O-N 3.31Å; G726-A740 WeakPolarHBondContact O-CB 3.48Å; G726-D741 PolarHBondContact N-OD2 2.95Å; G726-D741 PolarHBondContact O-N 3.01Å; G726-M742 PolarHBondContact O-N 3.04Å
727	I	95.3	Very high	88.5	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	113.5	176.9	-54.1	-179.8	0	0	0	109.7	L342 A708 M709 T710 G711 L720 I725 M742 L744 I752	L342-I727 HydrophobicContact CD1-CD1 4.34Å; A708-I727 HydrophobicContact CB-CD1 4.11Å; M709-I727 PolarHBondContact O-N 2.89Å; T710-I727 CarbonylContact C-O 3.6Å; T710-I727 WeakPolarHBondContact CA-O 3.48Å; T710-I727 HydrophobicContact CG2-CB 4.14Å; T710-I727 HydrophobicContact CG2-CD1 4.45Å; T710-I727 HydrophobicContact CG2-CG2 4.46Å; G711-I727 PolarHBondContact N-O 3.03Å; L720-I727 WeakPolarHBondContact CD2-O 3.47Å; I725-I727 HydrophobicContact CG2-CD1 4.42Å; I725-I727 HydrophobicContact CG2-CG1 3.91Å; I727-M742 CarbonylContact C-O 3.5Å; I727-M742 WeakPolarHBondContact CA-O 3.15Å; I727-M742 HydrophobicContact CG1-CB 4.45Å; I727-L744 HydrophobicContact CG2-CD1 3.82Å; I727-L744 HydrophobicContact CG2-CD2 3.99Å; I727-L744 HydrophobicContact CG2-CG 3.66Å; I727-I752 HydrophobicContact CD1-CD1 4.17Å; I727-I752 HydrophobicContact CD1-CG1 4.15Å; I727-I752 HydrophobicContact CD1-CG2 3.79Å; I727-I752 HydrophobicContact CG2-CD1 4.32Å; I727-I752 HydrophobicContact CG2-CG1 4.32Å
728	A	92.8	Very high	88.3	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	149.7	177.1	0	0	0	0	0	112.9	G711 A736 K737 A740 M742 V743 L744	G711-A728 VanDerWaalsContact O-CA 3.29Å; G711-A728 WeakPolarHBondContact O-CA 3.29Å; A728-A736 HydrophobicContact CB-CB 4.32Å; A728-K737 HydrophobicContact CB-CB 4.35Å; A728-K737 HydrophobicContact CB-CG 3.99Å; A728-A740 HydrophobicContact CB-CB 3.55Å; A728-M742 PolarHBondContact N-O 3.09Å; A728-V743 HydrophobicContact CB-CG2 4.39Å; A728-V743 CarbonylContact O-C 3.58Å; A728-V743 WeakPolarHBondContact O-CA 3.39Å; A728-L744 PolarHBondContact O-N 3.39Å
729	M	90.6	Very high	88.2	Confident	0 Å²	0	21 Å²	21	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	141.2	170	-54.2	-47.2	-68	0	0	111	T355 G711 D712 S731 G732 K737 L744 D747	T355-M729 HydrophobicContact CG2-CE 4.17Å; T355-M729 HydrophobicContact CG2-SD 3.57Å; T355-M729 VanDerWaalsContact CG2-SD 3.57Å; T355-M729 WeakPolarHBondContact OG1-CG 3.4Å; T355-M729 PolarHBondContact OG1-SD 2.93Å; T355-M729 VanDerWaalsContact OG1-SD 3.4Å; G711-M729 PolarHBondContact O-N 3.35Å; G711-M729 VanDerWaalsContact O-N 3.11Å; D712-M729 HydrophobicContact CB-CB 3.92Å; D712-M729 HydrophobicContact CB-CG 3.74Å; M729-S731 VanDerWaalsContact C-N 3.28Å; M729-S731 PolarHBondContact O-N 2.85Å; M729-G732 WeakPolarHBondContact O-CA 3.37Å; M729-G732 PolarHBondContact O-N 3.31Å; M729-K737 WeakPolarHBondContact O-CE 3.16Å; M729-L744 HydrophobicContact CE-CD1 4.38Å; M729-L744 HydrophobicContact SD-CD1 4.12Å; M729-D747 HydrophobicContact CE-CB 3.39Å; M729-D747 VanDerWaalsContact CE-O 3.3Å; M729-D747 WeakPolarHBondContact CE-O 3.5Å
730	G	86.9	Confident	88.1	Confident	24 Å²	24	21 Å²	21	25%	0.247	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-29.2	174.8	0	0	0	0	0	113	G732 K737 L744 D747	G730-G732 VanDerWaalsContact C-N 3.34Å; G730-K737 WeakPolarHBondContact O-CE 3.16Å; G730-K737 PolarHBondContact O-NZ 3.02Å; G730-L744 WeakPolarHBondContact CA-O 3.36Å; G730-L744 PolarHBondContact N-O 3.36Å; G730-D747 WeakPolarHBondContact CA-OD1 3.34Å; G730-D747 PolarHBondContact N-OD1 3.41Å
731	S	82.4	Confident	87.9	Confident	81 Å²	81	22.9 Å²	22.9	57%	0.566	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-6.3	167	59.5	0	0	0	0	114.2	M729 D747	M729-S731 VanDerWaalsContact C-N 3.28Å; M729-S731 PolarHBondContact O-N 2.85Å; S731-D747 WeakPolarHBondContact CB-OD2 3.47Å; S731-D747 PolarHBondContact N-OD1 3.18Å; S731-D747 VanDerWaalsContact OG-CG 3.23Å; S731-D747 PolarHBondContact OG-OD1 3.31Å; S731-D747 PolarHBondContact OG-OD2 2.73Å
732	G	80.8	Confident	88.1	Confident	9 Å²	9	20.1 Å²	20.1	9%	0.093	13%	0.126	C	C	.	.	S	Bend	trans	-66.4	170.6	-179.6	0	0	0	0	0	114.1	D712 M729 G730 K737	D712-G732 WeakPolarHBondContact O-CA 3.46Å; M729-G732 WeakPolarHBondContact O-CA 3.37Å; M729-G732 PolarHBondContact O-N 3.31Å; G730-G732 VanDerWaalsContact C-N 3.34Å; G732-K737 WeakPolarHBondContact O-CE 3.11Å; G732-K737 PolarHBondContact O-NZ 3.12Å
733	T	82.4	Confident	88.3	Confident	31 Å²	31	18.3 Å²	18.3	19%	0.19	12%	0.119	C	C	.	.			trans	-60.6	151.2	177.6	61	0	0	0	0	111.7	Y122 D712 V735 A736 K737	Y122-T733 WeakPolarHBondContact OH-CB 3.2Å; Y122-T733 WeakPolarHBondContact OH-CG2 3.47Å; D712-T733 WeakPolarHBondContact O-CB 3.42Å; D712-T733 WeakPolarHBondContact O-CG2 3.4Å; D712-T733 PolarHBondContact O-N 3Å; D712-T733 PolarHBondContact O-OG1 3.12Å; T733-V735 PolarHBondContact O-N 3.35Å; T733-A736 PolarHBondContact O-N 2.93Å; T733-A736 WeakPolarHBondContact OG1-CB 3.48Å; T733-A736 PolarHBondContact OG1-N 2.75Å; T733-K737 WeakPolarHBondContact O-CG 3.25Å; T733-K737 PolarHBondContact O-N 3.19Å; T733-K737 VanDerWaalsContact O-N 3.12Å
734	A	81.6	Confident	88.3	Confident	40 Å²	40	18 Å²	18	33%	0.331	12%	0.117	S	C	.	.	H	α-helix	trans	-58.8	-34.8	175.9	0	0	0	0	0	111.5	A118 K737 S738	A118-A734 HydrophobicContact CB-CB 4.26Å; A734-K737 PolarHBondContact O-N 3.28Å; A734-S738 VanDerWaalsContact O-CB 3.3Å; A734-S738 WeakPolarHBondContact O-CB 3.39Å; A734-S738 PolarHBondContact O-N 2.92Å; A734-S738 PolarHBondContact O-OG 3.24Å
735	V	83.6	Confident	88.2	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64.1	-48.8	177.1	176.2	0	0	0	0	111.7	A118 L119 Y122 V714 A717 T733 K737 S738 A739	A118-V735 VanDerWaalsContact C-CG2 3.49Å; A118-V735 HydrophobicContact CB-CG2 3.88Å; A118-V735 WeakPolarHBondContact O-CG2 3.48Å; L119-V735 HydrophobicContact CB-CG2 4.37Å; L119-V735 HydrophobicContact CD2-CB 4.43Å; L119-V735 HydrophobicContact CD2-CG1 3.75Å; L119-V735 HydrophobicContact CD2-CG2 3.85Å; L119-V735 HydrophobicContact CG-CG1 3.79Å; L119-V735 HydrophobicContact CG-CG2 3.84Å; Y122-V735 HydrophobicContact CD2-CG2 4.14Å; Y122-V735 HydrophobicContact CE2-CG2 3.63Å; V714-V735 HydrophobicContact CG1-CG1 4.21Å; V714-V735 HydrophobicContact CG2-CB 4.04Å; V714-V735 HydrophobicContact CG2-CG1 4.32Å; V714-V735 HydrophobicContact CG2-CG2 4.2Å; A717-V735 HydrophobicContact CB-CG1 3.79Å; T733-V735 PolarHBondContact O-N 3.35Å; V735-K737 VanDerWaalsContact C-N 3.34Å; V735-K737 PolarHBondContact O-N 2.99Å; V735-S738 PolarHBondContact O-N 2.84Å; V735-A739 WeakPolarHBondContact O-CB 3.09Å; V735-A739 PolarHBondContact O-N 3.4Å
736	A	87.1	Confident	88	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-59	-46.8	177.4	0	0	0	0	0	111.1	D712 L720 A728 T733 S738 A739 A740	D712-A736 WeakPolarHBondContact O-CB 3.42Å; L720-A736 HydrophobicContact CD1-CB 3.93Å; A728-A736 HydrophobicContact CB-CB 4.32Å; T733-A736 PolarHBondContact O-N 2.93Å; T733-A736 WeakPolarHBondContact OG1-CB 3.48Å; T733-A736 PolarHBondContact OG1-N 2.75Å; A736-S738 VanDerWaalsContact C-N 3.31Å; A736-S738 PolarHBondContact O-N 3.13Å; A736-A739 PolarHBondContact O-N 2.88Å; A736-A740 VanDerWaalsContact O-CB 3.29Å; A736-A740 WeakPolarHBondContact O-CB 3.02Å; A736-A740 PolarHBondContact O-N 3.1Å
737	K	87.8	Confident	87.6	Confident	59 Å²	59	22.2 Å²	22.2	26%	0.257	15%	0.148	S	C	.	.	H	α-helix	trans	-60.2	-40.8	177.2	-68.8	171.2	-177.2	157.7	0	112.9	R334 A728 M729 G730 G732 T733 A734 V735 A740 V743	R334-K737 WeakPolarHBondContact CD-O 3.48Å; R334-K737 PolarHBondContact NH1-O 3.16Å; A728-K737 HydrophobicContact CB-CB 4.35Å; A728-K737 HydrophobicContact CB-CG 3.99Å; M729-K737 WeakPolarHBondContact O-CE 3.16Å; G730-K737 WeakPolarHBondContact O-CE 3.16Å; G730-K737 PolarHBondContact O-NZ 3.02Å; G732-K737 WeakPolarHBondContact O-CE 3.11Å; G732-K737 PolarHBondContact O-NZ 3.12Å; T733-K737 WeakPolarHBondContact O-CG 3.25Å; T733-K737 PolarHBondContact O-N 3.19Å; T733-K737 VanDerWaalsContact O-N 3.12Å; A734-K737 PolarHBondContact O-N 3.28Å; V735-K737 VanDerWaalsContact C-N 3.34Å; V735-K737 PolarHBondContact O-N 2.99Å; K737-A740 PolarHBondContact O-N 3.42Å; K737-V743 HydrophobicContact CB-CG2 4.08Å; K737-V743 HydrophobicContact CD-CG1 4.37Å; K737-V743 HydrophobicContact CG-CG1 4.04Å; K737-V743 HydrophobicContact CG-CG2 4.13Å
738	S	83.2	Confident	87.1	Confident	24 Å²	24	23.6 Å²	23.6	17%	0.168	16%	0.156	C	C	.	.	H	α-helix	trans	-74.9	-28.4	-179.4	-65.7	0	0	0	0	112.8	S114 A115 R334 A734 V735 A736	S114-S738 PolarHBondContact OG-OG 3.49Å; A115-S738 WeakPolarHBondContact CB-O 3.31Å; R334-S738 PolarHBondContact NH1-O 2.99Å; A734-S738 VanDerWaalsContact O-CB 3.3Å; A734-S738 WeakPolarHBondContact O-CB 3.39Å; A734-S738 PolarHBondContact O-N 2.92Å; A734-S738 PolarHBondContact O-OG 3.24Å; V735-S738 PolarHBondContact O-N 2.84Å; A736-S738 VanDerWaalsContact C-N 3.31Å; A736-S738 PolarHBondContact O-N 3.13Å
739	A	85.9	Confident	87	Confident	9 Å²	9	23.6 Å²	23.6	7%	0.074	16%	0.156	C	C	.	.	H	α-helix	trans	-79.9	-16.5	173.7	0	0	0	0	0	113.6	A115 M239 A717 L720 V735 A736	A115-A739 HydrophobicContact CB-CB 4.42Å; M239-A739 HydrophobicContact CE-CB 3.8Å; A717-A739 HydrophobicContact CB-CB 3.92Å; L720-A739 HydrophobicContact CB-CB 4.32Å; V735-A739 WeakPolarHBondContact O-CB 3.09Å; V735-A739 PolarHBondContact O-N 3.4Å; A736-A739 PolarHBondContact O-N 2.88Å
740	A	90	Very high	86.9	Confident	2 Å²	2	25.7 Å²	25.7	2%	0.017	17%	0.167	C	C	.	.			trans	-93.3	148.2	-178	0	0	0	0	0	113	R334 G726 A728 A736 K737 M742	R334-A740 PolarHBondContact NH1-O 3.18Å; G726-A740 WeakPolarHBondContact O-CB 3.48Å; A728-A740 HydrophobicContact CB-CB 3.55Å; A736-A740 VanDerWaalsContact O-CB 3.29Å; A736-A740 WeakPolarHBondContact O-CB 3.02Å; A736-A740 PolarHBondContact O-N 3.1Å; K737-A740 PolarHBondContact O-N 3.42Å; A740-M742 WeakPolarHBondContact CB-O 3.37Å
741	D	89.4	Confident	87.2	Confident	38 Å²	38	24.7 Å²	24.7	20%	0.203	16%	0.156	C	C	.	.	S	Bend	trans	-78.7	-24.4	172.3	-56.9	-67.4	0	0	0	112.8	R334 S338 I725 G726	R334-D741 PolarHBondContact N-O 3.17Å; S338-D741 WeakPolarHBondContact OG-CB 3.44Å; I725-D741 HydrophobicContact CG2-CB 4.43Å; G726-D741 PolarHBondContact N-OD2 2.95Å; G726-D741 PolarHBondContact O-N 3.01Å
742	M	91.9	Very high	87.7	Confident	1 Å²	1	20.9 Å²	20.9	1%	0.005	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	144.3	179.7	-176.4	-175.7	-69.4	0	0	111.4	M326 A331 I332 V333 L342 G726 I727 A728 A740 L744 A755	M326-M742 HydrophobicContact SD-CE 4.31Å; A331-M742 HydrophobicContact CB-CE 4.46Å; A331-M742 HydrophobicContact CB-CG 4.44Å; A331-M742 HydrophobicContact CB-SD 3.91Å; I332-M742 CarbonylContact O-C 3.54Å; I332-M742 WeakPolarHBondContact O-CA 3.25Å; V333-M742 HydrophobicContact CG2-CE 3.72Å; V333-M742 HydrophobicContact CG2-CG 4.41Å; L342-M742 HydrophobicContact CD1-CE 3.4Å; L342-M742 HydrophobicContact CD1-SD 4.17Å; L342-M742 HydrophobicContact CD2-CE 3.7Å; L342-M742 HydrophobicContact CG-CE 4.14Å; G726-M742 PolarHBondContact O-N 3.04Å; I727-M742 CarbonylContact C-O 3.5Å; I727-M742 WeakPolarHBondContact CA-O 3.15Å; I727-M742 HydrophobicContact CG1-CB 4.45Å; A728-M742 PolarHBondContact N-O 3.09Å; A740-M742 WeakPolarHBondContact CB-O 3.37Å; M742-L744 HydrophobicContact SD-CD2 4.13Å; M742-A755 HydrophobicContact CE-CB 3.88Å; M742-A755 HydrophobicContact SD-CB 4.17Å
743	V	92.9	Very high	88.3	Confident	15 Å²	15	20.5 Å²	20.5	9%	0.091	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	127.8	174.1	-175.4	0	0	0	0	110.1	I332 R334 A728 K737 A745	I332-V743 HydrophobicContact CB-CB 4.35Å; I332-V743 PolarHBondContact N-O 3.29Å; I332-V743 PolarHBondContact O-N 3.19Å; R334-V743 HydrophobicContact CG-CG2 4.5Å; A728-V743 HydrophobicContact CB-CG2 4.39Å; A728-V743 CarbonylContact O-C 3.58Å; A728-V743 WeakPolarHBondContact O-CA 3.39Å; K737-V743 HydrophobicContact CB-CG2 4.08Å; K737-V743 HydrophobicContact CD-CG1 4.37Å; K737-V743 HydrophobicContact CG-CG1 4.04Å; K737-V743 HydrophobicContact CG-CG2 4.13Å; V743-A745 PolarHBondContact O-N 2.77Å
744	L	93	Very high	88.8	Confident	0 Å²	0	21 Å²	21	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	102.3	176.8	-55.3	-179.4	0	0	0	110	N330 I727 A728 M729 G730 M742 D746 D747 I752	N330-L744 CarbonylContact O-C 3.54Å; N330-L744 WeakPolarHBondContact O-CA 3.47Å; I727-L744 HydrophobicContact CG2-CD1 3.82Å; I727-L744 HydrophobicContact CG2-CD2 3.99Å; I727-L744 HydrophobicContact CG2-CG 3.66Å; A728-L744 PolarHBondContact O-N 3.39Å; M729-L744 HydrophobicContact CE-CD1 4.38Å; M729-L744 HydrophobicContact SD-CD1 4.12Å; G730-L744 WeakPolarHBondContact CA-O 3.36Å; G730-L744 PolarHBondContact N-O 3.36Å; M742-L744 HydrophobicContact SD-CD2 4.13Å; L744-D746 PolarHBondContact O-N 3.27Å; L744-D747 PolarHBondContact O-N 2.8Å; L744-I752 HydrophobicContact CD1-CD1 3.89Å; L744-I752 HydrophobicContact CD1-CG1 3.6Å; L744-I752 HydrophobicContact CD2-CG1 4.02Å; L744-I752 HydrophobicContact CG-CG1 4.4Å
745	A	89	Confident	89.3	Confident	54 Å²	54	19.2 Å²	19.2	45%	0.446	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-25.3	-174.8	0	0	0	0	0	113.8	N330 I332 V743	N330-A745 HydrophobicContact CB-CB 4.22Å; N330-A745 PolarHBondContact O-N 2.82Å; I332-A745 HydrophobicContact CD1-CB 3.95Å; I332-A745 HydrophobicContact CG1-CB 4.3Å; V743-A745 PolarHBondContact O-N 2.77Å
746	D	87.9	Confident	89.9	Confident	56 Å²	56	19.3 Å²	19.3	30%	0.299	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	5	-178	64.8	-10.2	0	0	0	114.2	N330 L744 N748 S751	N330-D746 HydrophobicContact CB-CB 3.91Å; N330-D746 VanDerWaalsContact CB-CG 3.41Å; N330-D746 WeakPolarHBondContact CB-OD2 3.43Å; N330-D746 PolarHBondContact ND2-OD2 3.23Å; L744-D746 PolarHBondContact O-N 3.27Å; D746-N748 HydrophobicContact CB-CB 4.47Å; D746-N748 VanDerWaalsContact CG-CB 3.48Å; D746-N748 PolarHBondContact O-N 2.81Å; D746-N748 WeakPolarHBondContact OD1-CB 3.42Å; D746-N748 PolarHBondContact OD1-N 3.05Å; D746-N748 WeakPolarHBondContact OD2-CB 3.02Å; D746-S751 PolarHBondContact OD1-OG 3.37Å; D746-S751 PolarHBondContact OD2-OG 2.93Å
747	D	85.5	Confident	90.1	Very high	24 Å²	24	21.7 Å²	21.7	13%	0.128	12%	0.123	C	C	.	.			trans	53	29.6	-174.5	-58.5	-30.4	0	0	0	114.7	R613 M729 G730 S731 L744	R613-D747 PolarHBondContact NE-O 3.42Å; R613-D747 PolarHBondContact NH1-O 2.82Å; M729-D747 HydrophobicContact CE-CB 3.39Å; M729-D747 VanDerWaalsContact CE-O 3.3Å; M729-D747 WeakPolarHBondContact CE-O 3.5Å; G730-D747 WeakPolarHBondContact CA-OD1 3.34Å; G730-D747 PolarHBondContact N-OD1 3.41Å; S731-D747 WeakPolarHBondContact CB-OD2 3.47Å; S731-D747 PolarHBondContact N-OD1 3.18Å; S731-D747 VanDerWaalsContact OG-CG 3.23Å; S731-D747 PolarHBondContact OG-OD1 3.31Å; S731-D747 PolarHBondContact OG-OD2 2.73Å; L744-D747 PolarHBondContact O-N 2.8Å
748	N	85.1	Confident	90.3	Very high	29 Å²	29	19.7 Å²	19.7	16%	0.155	12%	0.115	C	C	.	.			trans	-105	122.5	-173.6	-167.5	-20.4	0	0	0	112	E615 D746 N750 S751	E615-N748 WeakPolarHBondContact CG-OD1 3.43Å; D746-N748 HydrophobicContact CB-CB 4.47Å; D746-N748 VanDerWaalsContact CG-CB 3.48Å; D746-N748 PolarHBondContact O-N 2.81Å; D746-N748 WeakPolarHBondContact OD1-CB 3.42Å; D746-N748 PolarHBondContact OD1-N 3.05Å; D746-N748 WeakPolarHBondContact OD2-CB 3.02Å; N748-N750 PolarHBondContact O-N 3.2Å; N748-N750 VanDerWaalsContact OD1-CB 3.3Å; N748-N750 WeakPolarHBondContact OD1-CB 3.24Å; N748-N750 PolarHBondContact OD1-N 2.72Å; N748-S751 VanDerWaalsContact O-CB 3.23Å; N748-S751 WeakPolarHBondContact O-CB 3.44Å; N748-S751 PolarHBondContact O-N 3.02Å; N748-S751 PolarHBondContact O-OG 2.79Å
749	F	89	Confident	90.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-58.5	-29.6	175.1	-169.6	-88.6	0	0	0	112.7	I348 L356 V616 I620 V630 S751 I752 V753	I348-F749 HydrophobicContact CD1-CZ 4.4Å; I348-F749 HydrophobicContact CG2-CE2 4.02Å; I348-F749 HydrophobicContact CG2-CZ 4.11Å; L356-F749 HydrophobicContact CD2-CD2 3.64Å; L356-F749 HydrophobicContact CD2-CE2 3.9Å; L356-F749 HydrophobicContact CD2-CG 4.19Å; V616-F749 HydrophobicContact CG2-CB 3.86Å; I620-F749 HydrophobicContact CG1-CE1 4.23Å; V630-F749 HydrophobicContact CG1-CZ 4.33Å; V630-F749 HydrophobicContact CG2-CZ 4.43Å; F749-S751 PolarHBondContact O-N 3.23Å; F749-I752 HydrophobicContact CD2-CD1 3.73Å; F749-I752 HydrophobicContact CE2-CD1 3.94Å; F749-I752 HydrophobicContact CG-CD1 4.3Å; F749-I752 VanDerWaalsContact O-CB 3.3Å; F749-I752 WeakPolarHBondContact O-CB 3.24Å; F749-I752 PolarHBondContact O-N 3.04Å; F749-I752 VanDerWaalsContact O-N 3.09Å; F749-V753 HydrophobicContact CE1-CG2 4.43Å
750	N	89.8	Confident	91	Very high	44 Å²	44	19 Å²	19	24%	0.235	11%	0.107	C	C	.	.	H	α-helix	trans	-62.6	-29.2	175.5	-173.7	57	0	0	0	112.7	S619 N748 I752 V753 L754	S619-N750 VanDerWaalsContact OG-CA 3.27Å; S619-N750 WeakPolarHBondContact OG-CA 3.43Å; S619-N750 VanDerWaalsContact OG-CB 3.3Å; S619-N750 WeakPolarHBondContact OG-CB 3.29Å; S619-N750 PolarHBondContact OG-OD1 2.97Å; N748-N750 PolarHBondContact O-N 3.2Å; N748-N750 VanDerWaalsContact OD1-CB 3.3Å; N748-N750 WeakPolarHBondContact OD1-CB 3.24Å; N748-N750 PolarHBondContact OD1-N 2.72Å; N750-I752 PolarHBondContact O-N 3.16Å; N750-V753 PolarHBondContact O-N 3.21Å; N750-V753 VanDerWaalsContact O-N 3.13Å; N750-L754 WeakPolarHBondContact O-CG 3.5Å; N750-L754 PolarHBondContact O-N 2.89Å
751	S	92.6	Very high	91	Very high	3 Å²	3	19 Å²	19	2%	0.021	11%	0.107	C	C	.	.	H	α-helix	trans	-63.3	-30.9	175.9	-56.3	0	0	0	0	111.5	D746 N748 F749 A755	D746-S751 PolarHBondContact OD1-OG 3.37Å; D746-S751 PolarHBondContact OD2-OG 2.93Å; N748-S751 VanDerWaalsContact O-CB 3.23Å; N748-S751 WeakPolarHBondContact O-CB 3.44Å; N748-S751 PolarHBondContact O-N 3.02Å; N748-S751 PolarHBondContact O-OG 2.79Å; F749-S751 PolarHBondContact O-N 3.23Å; S751-A755 VanDerWaalsContact O-CB 3.27Å; S751-A755 WeakPolarHBondContact O-CB 3.5Å; S751-A755 PolarHBondContact O-N 3.28Å
752	I	93.5	Very high	91	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-63.7	-47.9	172.2	-54.2	174.3	0	0	0	110.1	I348 T710 I727 L744 F749 N750 L754 A755 V756	I348-I752 HydrophobicContact CD1-CG2 4.03Å; T710-I752 HydrophobicContact CG2-CD1 3.71Å; I727-I752 HydrophobicContact CD1-CD1 4.17Å; I727-I752 HydrophobicContact CD1-CG1 4.15Å; I727-I752 HydrophobicContact CD1-CG2 3.79Å; I727-I752 HydrophobicContact CG2-CD1 4.32Å; I727-I752 HydrophobicContact CG2-CG1 4.32Å; L744-I752 HydrophobicContact CD1-CD1 3.89Å; L744-I752 HydrophobicContact CD1-CG1 3.6Å; L744-I752 HydrophobicContact CD2-CG1 4.02Å; L744-I752 HydrophobicContact CG-CG1 4.4Å; F749-I752 HydrophobicContact CD2-CD1 3.73Å; F749-I752 HydrophobicContact CE2-CD1 3.94Å; F749-I752 HydrophobicContact CG-CD1 4.3Å; F749-I752 VanDerWaalsContact O-CB 3.3Å; F749-I752 WeakPolarHBondContact O-CB 3.24Å; F749-I752 PolarHBondContact O-N 3.04Å; F749-I752 VanDerWaalsContact O-N 3.09Å; N750-I752 PolarHBondContact O-N 3.16Å; I752-L754 VanDerWaalsContact C-N 3.32Å; I752-L754 PolarHBondContact O-N 2.81Å; I752-A755 PolarHBondContact O-N 2.89Å; I752-A755 VanDerWaalsContact O-N 3.14Å; I752-V756 HydrophobicContact CG2-CG2 4.41Å; I752-V756 WeakPolarHBondContact O-CG2 3.47Å; I752-V756 PolarHBondContact O-N 2.92Å
753	V	93	Very high	90.8	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.006	10%	0.1	C	C	.	.	H	α-helix	trans	-61.6	-42.6	-179.5	-175.4	0	0	0	0	111.2	R622 F749 N750 A755 V756 E757 M826	R622-V753 HydrophobicContact CB-CG1 3.99Å; F749-V753 HydrophobicContact CE1-CG2 4.43Å; N750-V753 PolarHBondContact O-N 3.21Å; N750-V753 VanDerWaalsContact O-N 3.13Å; V753-A755 VanDerWaalsContact C-N 3.32Å; V753-V756 PolarHBondContact O-N 3.43Å; V753-E757 PolarHBondContact O-N 2.68Å; V753-M826 HydrophobicContact CG1-CE 3.73Å
754	L	92.4	Very high	90.4	Very high	42 Å²	42	19.6 Å²	19.6	22%	0.22	11%	0.109	C	C	.	.	H	α-helix	trans	-65.9	-35.2	176.1	-70.3	175.6	0	0	0	112.7	K329 N750 I752 E758	K329-L754 HydrophobicContact CD-CB 4.25Å; N750-L754 WeakPolarHBondContact O-CG 3.5Å; N750-L754 PolarHBondContact O-N 2.89Å; I752-L754 VanDerWaalsContact C-N 3.32Å; I752-L754 PolarHBondContact O-N 2.81Å; L754-E758 PolarHBondContact O-N 2.85Å; L754-E758 VanDerWaalsContact O-N 3.1Å
755	A	93.5	Very high	90.2	Very high	2 Å²	2	20 Å²	20	2%	0.017	11%	0.111	C	C	.	.	H	α-helix	trans	-69.9	-40.9	174.7	0	0	0	0	0	110.4	M326 A331 L342 M742 S751 I752 V753 E757 E758 G759	M326-A755 WeakPolarHBondContact CE-O 3.45Å; M326-A755 HydrophobicContact SD-CB 4.46Å; A331-A755 HydrophobicContact CB-CB 4.02Å; L342-A755 HydrophobicContact CD2-CB 3.29Å; L342-A755 VanDerWaalsContact CD2-O 3.26Å; L342-A755 WeakPolarHBondContact CD2-O 3.33Å; M742-A755 HydrophobicContact CE-CB 3.88Å; M742-A755 HydrophobicContact SD-CB 4.17Å; S751-A755 VanDerWaalsContact O-CB 3.27Å; S751-A755 WeakPolarHBondContact O-CB 3.5Å; S751-A755 PolarHBondContact O-N 3.28Å; I752-A755 PolarHBondContact O-N 2.89Å; I752-A755 VanDerWaalsContact O-N 3.14Å; V753-A755 VanDerWaalsContact C-N 3.32Å; A755-E757 VanDerWaalsContact C-N 3.32Å; A755-E757 PolarHBondContact O-N 2.76Å; A755-E758 CarbonylContact O-C 3.58Å; A755-E758 PolarHBondContact O-N 2.94Å; A755-E758 VanDerWaalsContact O-N 3.14Å; A755-G759 PolarHBondContact O-N 2.84Å
756	V	94.5	Very high	90.1	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.006	9%	0.09	C	C	.	.	H	α-helix	trans	-60.6	-44.1	176.6	171.5	0	0	0	0	110.6	L342 I628 I752 V753 E758 G759 R760	L342-V756 HydrophobicContact CD2-CB 4.45Å; L342-V756 HydrophobicContact CD2-CG2 4Å; L342-V756 HydrophobicContact CG-CG2 4.08Å; I628-V756 HydrophobicContact CD1-CG1 3.72Å; I752-V756 HydrophobicContact CG2-CG2 4.41Å; I752-V756 WeakPolarHBondContact O-CG2 3.47Å; I752-V756 PolarHBondContact O-N 2.92Å; V753-V756 PolarHBondContact O-N 3.43Å; V756-E758 VanDerWaalsContact C-N 3.33Å; V756-E758 PolarHBondContact O-N 2.62Å; V756-G759 PolarHBondContact O-N 2.88Å; V756-R760 WeakPolarHBondContact O-CG 3.19Å; V756-R760 PolarHBondContact O-N 3.15Å
757	E	92.7	Very high	89.9	Confident	50 Å²	50	16.6 Å²	16.6	23%	0.234	8%	0.083	C	C	.	.	H	α-helix	trans	-56.9	-46.3	174	-176.5	176.1	174.4	0	0	111.8	R622 V753 A755 R760 A761 I825 M826	R622-E757 IonicContact CZ-OE2 3.19Å; R622-E757 IonicContact NH2-OE2 2.84Å; R622-E757 PolarHBondContact NH2-OE2 2.81Å; V753-E757 PolarHBondContact O-N 2.68Å; A755-E757 VanDerWaalsContact C-N 3.32Å; A755-E757 PolarHBondContact O-N 2.76Å; E757-R760 PolarHBondContact O-N 2.81Å; E757-A761 PolarHBondContact O-N 2.84Å; E757-A761 VanDerWaalsContact O-N 3.1Å; E757-I825 HydrophobicContact CG-CG2 3.99Å; E757-M826 HydrophobicContact CB-CG 4.05Å; E757-M826 HydrophobicContact CB-SD 3.72Å; E757-M826 HydrophobicContact CG-CG 3.84Å; E757-M826 HydrophobicContact CG-SD 4.15Å
758	E	91.7	Very high	89.9	Confident	18 Å²	18	16 Å²	16	8%	0.084	8%	0.08	C	C	.	.	H	α-helix	trans	-66.5	-39.7	177.2	-164.5	72.9	-151.1	0	0	112.1	R325 M326 K329 L754 A755 V756 A761 I762	R325-E758 WeakPolarHBondContact CD-OE1 3.45Å; R325-E758 IonicContact CZ-OE1 2.76Å; R325-E758 IonicContact NE-OE1 3.63Å; R325-E758 PolarHBondContact NE-OE1 3.19Å; R325-E758 IonicContact NH1-OE1 3.56Å; R325-E758 PolarHBondContact NH1-OE1 3.32Å; M326-E758 HydrophobicContact CE-CB 3.81Å; M326-E758 HydrophobicContact CE-CG 4.05Å; M326-E758 HydrophobicContact CG-CB 4.23Å; M326-E758 HydrophobicContact CG-CG 4.01Å; K329-E758 IonicContact NZ-OE2 2.76Å; K329-E758 PolarHBondContact NZ-OE2 3.32Å; L754-E758 PolarHBondContact O-N 2.85Å; L754-E758 VanDerWaalsContact O-N 3.1Å; A755-E758 CarbonylContact O-C 3.58Å; A755-E758 PolarHBondContact O-N 2.94Å; A755-E758 VanDerWaalsContact O-N 3.14Å; V756-E758 VanDerWaalsContact C-N 3.33Å; V756-E758 PolarHBondContact O-N 2.62Å; E758-A761 WeakPolarHBondContact O-CB 3.47Å; E758-A761 PolarHBondContact O-N 2.79Å; E758-I762 HydrophobicContact CG-CD1 3.92Å; E758-I762 VanDerWaalsContact O-CG1 3.26Å; E758-I762 WeakPolarHBondContact O-CG1 3.35Å; E758-I762 PolarHBondContact O-N 2.99Å
759	G	92.7	Very high	90.2	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.8	-42	177.1	0	0	0	0	0	112.2	V339 A755 V756 A761 I762 Y763	V339-G759 WeakPolarHBondContact O-CA 3.39Å; A755-G759 PolarHBondContact O-N 2.84Å; V756-G759 PolarHBondContact O-N 2.88Å; G759-A761 VanDerWaalsContact C-N 3.33Å; G759-A761 PolarHBondContact O-N 2.79Å; G759-I762 PolarHBondContact O-N 2.88Å; G759-Y763 PolarHBondContact O-N 2.82Å
760	R	91.4	Very high	90.1	Very high	18 Å²	18	14.8 Å²	14.8	7%	0.068	7%	0.073	C	C	.	.	H	α-helix	trans	-61.1	-42.6	172.5	-70.7	179.4	179	-161.4	-0.4	111.6	G343 S626 V756 E757 Y763 N764 I825 R828	G343-R760 VanDerWaalsContact O-CG 3.22Å; G343-R760 WeakPolarHBondContact O-CG 3.3Å; G343-R760 PolarHBondContact O-NE 3.13Å; S626-R760 PolarHBondContact O-NH2 2.74Å; V756-R760 WeakPolarHBondContact O-CG 3.19Å; V756-R760 PolarHBondContact O-N 3.15Å; E757-R760 PolarHBondContact O-N 2.81Å; R760-Y763 PolarHBondContact O-N 2.91Å; R760-N764 PolarHBondContact O-N 2.75Å; R760-N764 VanDerWaalsContact O-N 3.08Å; R760-I825 HydrophobicContact CB-CD1 3.62Å; R760-I825 HydrophobicContact CB-CG1 3.64Å; R760-I825 PolarHBondContact NH1-O 3.2Å; R760-R828 PolarHBondContact NH1-O 3.5Å
761	A	89.2	Confident	89.7	Confident	3 Å²	3	12.8 Å²	12.8	3%	0.025	6%	0.062	C	C	.	.	H	α-helix	trans	-63.9	-44.7	178.6	0	0	0	0	0	111.6	E757 E758 G759 Y763 N764 N765 P821 I825	E757-A761 PolarHBondContact O-N 2.84Å; E757-A761 VanDerWaalsContact O-N 3.1Å; E758-A761 WeakPolarHBondContact O-CB 3.47Å; E758-A761 PolarHBondContact O-N 2.79Å; G759-A761 VanDerWaalsContact C-N 3.33Å; G759-A761 PolarHBondContact O-N 2.79Å; A761-Y763 VanDerWaalsContact C-N 3.35Å; A761-Y763 PolarHBondContact O-N 2.86Å; A761-N764 PolarHBondContact O-N 3.07Å; A761-N765 VanDerWaalsContact O-CG 3.23Å; A761-N765 PolarHBondContact O-N 3.18Å; A761-N765 PolarHBondContact O-OD1 2.86Å; A761-P821 HydrophobicContact CB-CB 3.81Å; A761-I825 HydrophobicContact CB-CD1 3.98Å
762	I	89.5	Confident	89.6	Confident	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63.6	-42	178.2	-69.5	165.2	0	0	0	110.6	L319 G322 M326 V339 E758 G759 N764 N765 M766	L319-I762 HydrophobicContact CD2-CG2 4.15Å; G322-I762 VanDerWaalsContact CA-CD1 3.44Å; M326-I762 HydrophobicContact CE-CD1 4.32Å; V339-I762 HydrophobicContact CG1-CB 4.42Å; V339-I762 HydrophobicContact CG1-CD1 3.23Å; V339-I762 HydrophobicContact CG1-CG1 4.4Å; V339-I762 HydrophobicContact CG1-CG2 4.19Å; E758-I762 HydrophobicContact CG-CD1 3.92Å; E758-I762 VanDerWaalsContact O-CG1 3.26Å; E758-I762 WeakPolarHBondContact O-CG1 3.35Å; E758-I762 PolarHBondContact O-N 2.99Å; G759-I762 PolarHBondContact O-N 2.88Å; I762-N764 PolarHBondContact O-N 3.35Å; I762-N765 PolarHBondContact O-N 2.88Å; I762-M766 HydrophobicContact CG2-CE 4.06Å; I762-M766 HydrophobicContact CG2-CG 4.23Å; I762-M766 HydrophobicContact CG2-SD 4.26Å; I762-M766 WeakPolarHBondContact O-CB 3.34Å; I762-M766 VanDerWaalsContact O-CG 3.27Å; I762-M766 WeakPolarHBondContact O-CG 3.4Å; I762-M766 PolarHBondContact O-N 2.83Å
763	Y	88	Confident	89.4	Confident	15 Å²	15	12.7 Å²	12.7	6%	0.059	6%	0.061	C	C	.	.	H	α-helix	trans	-58.7	-47.5	174.3	179.5	-95.3	0	0	0	112.4	E340 G759 R760 A761 N765 M766 K767 R831 L837	E340-Y763 HydrophobicContact CG-CD2 3.79Å; E340-Y763 VanDerWaalsContact OE1-CD2 3.27Å; E340-Y763 WeakPolarHBondContact OE1-CD2 3.46Å; G759-Y763 PolarHBondContact O-N 2.82Å; R760-Y763 PolarHBondContact O-N 2.91Å; A761-Y763 VanDerWaalsContact C-N 3.35Å; A761-Y763 PolarHBondContact O-N 2.86Å; Y763-N765 VanDerWaalsContact C-N 3.3Å; Y763-N765 PolarHBondContact O-N 3.49Å; Y763-M766 HydrophobicContact CD2-CE 4.48Å; Y763-M766 PolarHBondContact O-N 2.97Å; Y763-K767 HydrophobicContact CE1-CD 4.09Å; Y763-K767 WeakPolarHBondContact O-CB 3.26Å; Y763-K767 PolarHBondContact O-N 3.01Å; Y763-R831 VanDerWaalsContact CZ-CD 3.44Å; Y763-R831 VanDerWaalsContact CZ-NE 3.32Å; Y763-R831 WeakPolarHBondContact OH-CD 3.24Å; Y763-R831 PolarHBondContact OH-NE 2.98Å; Y763-L837 HydrophobicContact CE2-CD2 4.44Å
764	N	85.4	Confident	89	Confident	51 Å²	51	13.4 Å²	13.4	27%	0.273	7%	0.065	S	C	.	.	H	α-helix	trans	-58.9	-44.2	177.6	-75	-7.1	0	0	0	111.5	R760 A761 I762 K767 Q768	R760-N764 PolarHBondContact O-N 2.75Å; R760-N764 VanDerWaalsContact O-N 3.08Å; A761-N764 PolarHBondContact O-N 3.07Å; I762-N764 PolarHBondContact O-N 3.35Å; N764-K767 WeakPolarHBondContact O-CB 3.46Å; N764-K767 PolarHBondContact O-N 3.08Å; N764-Q768 WeakPolarHBondContact O-CB 2.98Å; N764-Q768 PolarHBondContact O-N 3.41Å
765	N	88.8	Confident	88.8	Confident	8 Å²	8	11.4 Å²	11.4	4%	0.043	6%	0.055	C	C	.	.	H	α-helix	trans	-65.1	-40.3	177.7	-66.2	1.1	0	0	0	111.8	A761 I762 Y763 Q768 F769 G817 N819	A761-N765 VanDerWaalsContact O-CG 3.23Å; A761-N765 PolarHBondContact O-N 3.18Å; A761-N765 PolarHBondContact O-OD1 2.86Å; I762-N765 PolarHBondContact O-N 2.88Å; Y763-N765 VanDerWaalsContact C-N 3.3Å; Y763-N765 PolarHBondContact O-N 3.49Å; N765-Q768 WeakPolarHBondContact O-CB 3.26Å; N765-Q768 PolarHBondContact O-N 3.41Å; N765-F769 WeakPolarHBondContact O-CD1 3.37Å; N765-F769 PolarHBondContact O-N 3.04Å; N765-G817 PolarHBondContact ND2-O 2.67Å; N765-N819 PolarHBondContact ND2-N 2.97Å; N765-N819 PolarHBondContact ND2-O 2.64Å; N765-N819 WeakPolarHBondContact OD1-CB 3.4Å
766	M	86.4	Confident	88.6	Confident	1 Å²	1	11.3 Å²	11.3	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-62.7	-48.4	175.4	-73.9	-167.6	-59	0	0	112.4	L249 I315 L319 E340 I762 Y763 Q768 F769 I770	L249-M766 HydrophobicContact CD1-CE 4.42Å; L249-M766 HydrophobicContact CD2-CE 3.79Å; L249-M766 HydrophobicContact CD2-SD 3.85Å; I315-M766 HydrophobicContact CG2-SD 4.34Å; L319-M766 HydrophobicContact CD2-CE 4.34Å; L319-M766 HydrophobicContact CD2-SD 3.89Å; L319-M766 HydrophobicContact CG-SD 4.32Å; E340-M766 HydrophobicContact CB-CE 3.75Å; E340-M766 HydrophobicContact CG-CE 3.5Å; E340-M766 VanDerWaalsContact CG-CE 3.5Å; I762-M766 HydrophobicContact CG2-CE 4.06Å; I762-M766 HydrophobicContact CG2-CG 4.23Å; I762-M766 HydrophobicContact CG2-SD 4.26Å; I762-M766 WeakPolarHBondContact O-CB 3.34Å; I762-M766 VanDerWaalsContact O-CG 3.27Å; I762-M766 WeakPolarHBondContact O-CG 3.4Å; I762-M766 PolarHBondContact O-N 2.83Å; Y763-M766 HydrophobicContact CD2-CE 4.48Å; Y763-M766 PolarHBondContact O-N 2.97Å; M766-Q768 PolarHBondContact O-N 3.38Å; M766-F769 HydrophobicContact CB-CE1 3.92Å; M766-F769 HydrophobicContact CB-CZ 3.87Å; M766-F769 HydrophobicContact CG-CE1 3.57Å; M766-F769 HydrophobicContact CG-CZ 3.57Å; M766-F769 PolarHBondContact O-N 2.99Å; M766-I770 HydrophobicContact CB-CD1 4.44Å; M766-I770 VanDerWaalsContact O-CB 3.31Å; M766-I770 WeakPolarHBondContact O-CB 3.41Å; M766-I770 WeakPolarHBondContact O-CD1 3.35Å; M766-I770 WeakPolarHBondContact O-CG1 3.42Å; M766-I770 PolarHBondContact O-N 2.84Å
767	K	83.6	Confident	88.4	Confident	38 Å²	38	11.6 Å²	11.6	17%	0.165	6%	0.056	C	C	.	.	H	α-helix	trans	-51.6	-46.5	174.4	-148.4	-173.2	-178.4	-166.4	0	109.2	Y763 N764 I770 R771 L837	Y763-K767 HydrophobicContact CE1-CD 4.09Å; Y763-K767 WeakPolarHBondContact O-CB 3.26Å; Y763-K767 PolarHBondContact O-N 3.01Å; N764-K767 WeakPolarHBondContact O-CB 3.46Å; N764-K767 PolarHBondContact O-N 3.08Å; K767-I770 PolarHBondContact O-N 3.24Å; K767-R771 WeakPolarHBondContact O-CB 3.31Å; K767-R771 WeakPolarHBondContact O-CD 3.19Å; K767-R771 WeakPolarHBondContact O-CG 3.43Å; K767-R771 PolarHBondContact O-N 3.35Å; K767-L837 WeakPolarHBondContact CE-O 3.29Å; K767-L837 HydrophobicContact CG-CD2 4.26Å
768	Q	86.1	Confident	88.2	Confident	12 Å²	12	11.1 Å²	11.1	6%	0.056	5%	0.054	C	C	.	.	H	α-helix	trans	-63	-46.5	-177.3	-160.3	64.2	40.2	0	0	114.2	N764 N765 M766 Y772 S924	N764-Q768 WeakPolarHBondContact O-CB 2.98Å; N764-Q768 PolarHBondContact O-N 3.41Å; N765-Q768 WeakPolarHBondContact O-CB 3.26Å; N765-Q768 PolarHBondContact O-N 3.41Å; M766-Q768 PolarHBondContact O-N 3.38Å; Q768-Y772 PolarHBondContact O-N 3.04Å; Q768-Y772 VanDerWaalsContact O-N 3.09Å; Q768-S924 WeakPolarHBondContact CG-O 3.22Å; Q768-S924 VanDerWaalsContact NE2-CA 3.3Å; Q768-S924 PolarHBondContact NE2-O 3.4Å
769	F	90.2	Very high	88.2	Confident	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-76.5	-31.2	177.7	70.9	-117.6	0	0	0	113.1	L311 V314 I315 C318 N765 M766 R771 Y772 L773 A813 L816	L311-F769 HydrophobicContact CD1-CD2 4.22Å; L311-F769 HydrophobicContact CD1-CE2 3.88Å; V314-F769 HydrophobicContact CB-CE2 4.42Å; V314-F769 HydrophobicContact CG1-CD1 4.2Å; V314-F769 HydrophobicContact CG1-CD2 3.67Å; V314-F769 HydrophobicContact CG1-CE1 4.13Å; V314-F769 HydrophobicContact CG1-CE2 3.69Å; V314-F769 HydrophobicContact CG1-CG 3.99Å; V314-F769 HydrophobicContact CG1-CZ 3.93Å; I315-F769 HydrophobicContact CB-CZ 4.47Å; I315-F769 HydrophobicContact CG1-CE2 3.68Å; I315-F769 HydrophobicContact CG1-CZ 3.77Å; C318-F769 HydrophobicContact CB-CE1 3.87Å; C318-F769 HydrophobicContact CB-CZ 4.3Å; N765-F769 WeakPolarHBondContact O-CD1 3.37Å; N765-F769 PolarHBondContact O-N 3.04Å; M766-F769 HydrophobicContact CB-CE1 3.92Å; M766-F769 HydrophobicContact CB-CZ 3.87Å; M766-F769 HydrophobicContact CG-CE1 3.57Å; M766-F769 HydrophobicContact CG-CZ 3.57Å; M766-F769 PolarHBondContact O-N 2.99Å; F769-R771 PolarHBondContact O-N 3.25Å; F769-Y772 PolarHBondContact O-N 3.36Å; F769-L773 WeakPolarHBondContact O-CG 3.27Å; F769-L773 PolarHBondContact O-N 2.55Å; F769-A813 HydrophobicContact CB-CB 4.1Å; F769-A813 VanDerWaalsContact CB-O 3.31Å; F769-A813 WeakPolarHBondContact CB-O 3.47Å; F769-L816 HydrophobicContact CB-CB 3.94Å; F769-L816 HydrophobicContact CB-CD1 4.11Å
770	I	86.6	Confident	88.1	Confident	2 Å²	2	10.3 Å²	10.3	1%	0.01	5%	0.05	C	C	.	.	H	α-helix	trans	-58.2	-45.8	172.7	-75.1	164.8	0	0	0	108.7	L311 M766 K767 L773 I774 L837	L311-I770 HydrophobicContact CD1-CG1 3.68Å; M766-I770 HydrophobicContact CB-CD1 4.44Å; M766-I770 VanDerWaalsContact O-CB 3.31Å; M766-I770 WeakPolarHBondContact O-CB 3.41Å; M766-I770 WeakPolarHBondContact O-CD1 3.35Å; M766-I770 WeakPolarHBondContact O-CG1 3.42Å; M766-I770 PolarHBondContact O-N 2.84Å; K767-I770 PolarHBondContact O-N 3.24Å; I770-L773 PolarHBondContact O-N 3.43Å; I770-I774 HydrophobicContact CG2-CD1 3.52Å; I770-I774 HydrophobicContact CG2-CG1 4.43Å; I770-I774 WeakPolarHBondContact O-CB 3.18Å; I770-I774 WeakPolarHBondContact O-CD1 3.44Å; I770-I774 WeakPolarHBondContact O-CG1 3.46Å; I770-I774 PolarHBondContact O-N 3.3Å; I770-L837 HydrophobicContact CD1-CD2 4.28Å
771	R	81.9	Confident	88	Confident	2 Å²	2	10.3 Å²	10.3	1%	0.008	5%	0.052	C	C	.	.	H	α-helix	trans	-62.9	-42.6	177.3	-70.4	157.3	174.8	-172.5	-20.2	112.8	K767 F769 S775 L842 Y846 E927	K767-R771 WeakPolarHBondContact O-CB 3.31Å; K767-R771 WeakPolarHBondContact O-CD 3.19Å; K767-R771 WeakPolarHBondContact O-CG 3.43Å; K767-R771 PolarHBondContact O-N 3.35Å; F769-R771 PolarHBondContact O-N 3.25Å; R771-S775 WeakPolarHBondContact O-CB 3.08Å; R771-S775 PolarHBondContact O-N 3.49Å; R771-L842 HydrophobicContact CG-CD2 4.26Å; R771-Y846 HydrophobicContact CB-CE1 4.34Å; R771-Y846 HydrophobicContact CB-CE2 3.73Å; R771-Y846 WeakPolarHBondContact CB-OH 3.11Å; R771-Y846 VanDerWaalsContact CD-OH 3.23Å; R771-Y846 WeakPolarHBondContact CD-OH 3.45Å; R771-Y846 HydrophobicContact CG-CE2 3.62Å; R771-E927 IonicContact CZ-OE1 2.64Å; R771-E927 IonicContact CZ-OE2 3.92Å; R771-E927 VanDerWaalsContact CZ-OE2 3.27Å; R771-E927 IonicContact NH1-OE1 2.57Å; R771-E927 IonicContact NH1-OE2 2.76Å; R771-E927 PolarHBondContact NH1-OE2 2.97Å; R771-E927 IonicContact NH2-OE1 2.7Å; R771-E927 PolarHBondContact NH2-OE1 3.36Å; R771-E927 IonicContact NH2-OE2 3.08Å; R771-E927 PolarHBondContact NH2-OE2 3.07Å
772	Y	90	Very high	88.1	Confident	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-58.8	-53.8	175.8	162.5	-119	0	0	0	111.3	Q768 F769 I774 S775 S776 D809 P812 A813 L816 E917 N920 A921	Q768-Y772 PolarHBondContact O-N 3.04Å; Q768-Y772 VanDerWaalsContact O-N 3.09Å; F769-Y772 PolarHBondContact O-N 3.36Å; Y772-I774 PolarHBondContact O-N 3.31Å; Y772-S775 WeakPolarHBondContact O-CB 3.31Å; Y772-S775 PolarHBondContact O-N 2.83Å; Y772-S776 PolarHBondContact O-N 2.8Å; Y772-S776 VanDerWaalsContact O-N 3.12Å; Y772-D809 HydrophobicContact CE1-CB 4.13Å; Y772-D809 WeakPolarHBondContact CE1-O 3.41Å; Y772-D809 WeakPolarHBondContact OH-CA 3.22Å; Y772-D809 VanDerWaalsContact OH-CG 3.29Å; Y772-D809 PolarHBondContact OH-OD1 3.17Å; Y772-P812 HydrophobicContact CE1-CB 4.02Å; Y772-A813 HydrophobicContact CD1-CB 3.91Å; Y772-A813 HydrophobicContact CE1-CB 3.99Å; Y772-L816 HydrophobicContact CD1-CD1 3.98Å; Y772-L816 HydrophobicContact CG-CD1 4.07Å; Y772-E917 HydrophobicContact CE2-CB 4.23Å; Y772-E917 WeakPolarHBondContact CE2-O 3.24Å; Y772-E917 VanDerWaalsContact CE2-OE2 3.31Å; Y772-E917 WeakPolarHBondContact CE2-OE2 3.39Å; Y772-N920 HydrophobicContact CE2-CB 4.49Å; Y772-A921 HydrophobicContact CD2-CB 4.37Å; Y772-A921 HydrophobicContact CE2-CB 3.94Å
773	L	90.1	Very high	88.2	Confident	2 Å²	2	11.5 Å²	11.5	1%	0.01	6%	0.059	C	C	.	.	H	α-helix	trans	-58.9	-47.8	179.2	-69.7	174	0	0	0	111.3	L311 F769 I770 S775 S776 N777 D809 A813	L311-L773 HydrophobicContact CB-CD1 4.29Å; L311-L773 HydrophobicContact CD1-CD1 3.82Å; F769-L773 WeakPolarHBondContact O-CG 3.27Å; F769-L773 PolarHBondContact O-N 2.55Å; I770-L773 PolarHBondContact O-N 3.43Å; L773-S775 VanDerWaalsContact C-N 3.31Å; L773-S775 PolarHBondContact O-N 3.45Å; L773-S776 VanDerWaalsContact O-CB 3.3Å; L773-S776 WeakPolarHBondContact O-CB 3.46Å; L773-S776 PolarHBondContact O-N 2.99Å; L773-S776 VanDerWaalsContact O-N 3.08Å; L773-N777 PolarHBondContact O-N 2.9Å; L773-N777 PolarHBondContact O-OD1 2.86Å; L773-D809 HydrophobicContact CD2-CB 3.78Å; L773-A813 HydrophobicContact CD1-CB 4Å; L773-A813 HydrophobicContact CD2-CB 3.92Å; L773-A813 HydrophobicContact CG-CB 3.93Å
774	I	85.1	Confident	88.2	Confident	16 Å²	16	11.3 Å²	11.3	8%	0.082	6%	0.059	C	C	.	.	H	α-helix	trans	-62.1	-38.9	179.2	-67	167.1	0	0	0	111.9	F256 I770 Y772 S776 N777 I778 I838	F256-I774 HydrophobicContact CD2-CD1 4.31Å; F256-I774 HydrophobicContact CE1-CD1 4.05Å; F256-I774 HydrophobicContact CE1-CG1 4.44Å; F256-I774 HydrophobicContact CE2-CD1 3.38Å; F256-I774 HydrophobicContact CE2-CG1 4.18Å; F256-I774 HydrophobicContact CZ-CD1 3.24Å; F256-I774 HydrophobicContact CZ-CG1 3.63Å; I770-I774 HydrophobicContact CG2-CD1 3.52Å; I770-I774 HydrophobicContact CG2-CG1 4.43Å; I770-I774 WeakPolarHBondContact O-CB 3.18Å; I770-I774 WeakPolarHBondContact O-CD1 3.44Å; I770-I774 WeakPolarHBondContact O-CG1 3.46Å; I770-I774 PolarHBondContact O-N 3.3Å; Y772-I774 PolarHBondContact O-N 3.31Å; I774-S776 VanDerWaalsContact C-N 3.26Å; I774-S776 PolarHBondContact O-N 2.56Å; I774-N777 PolarHBondContact O-N 2.81Å; I774-I778 HydrophobicContact CG2-CD1 3.89Å; I774-I778 HydrophobicContact CG2-CG1 4.3Å; I774-I778 VanDerWaalsContact O-CG1 3.28Å; I774-I778 WeakPolarHBondContact O-CG1 3.18Å; I774-I778 PolarHBondContact O-N 2.82Å; I774-I838 HydrophobicContact CD1-CD1 3.9Å; I774-I838 HydrophobicContact CG2-CD1 4.38Å
775	S	87.1	Confident	88.3	Confident	1 Å²	1	12.1 Å²	12.1	1%	0.007	6%	0.06	C	C	.	.	H	α-helix	trans	-60.3	-39.9	176.2	-175.6	0	0	0	0	111.4	R771 Y772 L773 G779 N920	R771-S775 WeakPolarHBondContact O-CB 3.08Å; R771-S775 PolarHBondContact O-N 3.49Å; Y772-S775 WeakPolarHBondContact O-CB 3.31Å; Y772-S775 PolarHBondContact O-N 2.83Å; L773-S775 VanDerWaalsContact C-N 3.31Å; L773-S775 PolarHBondContact O-N 3.45Å; S775-G779 PolarHBondContact O-N 3.16Å; S775-N920 PolarHBondContact OG-ND2 3.23Å
776	S	90.2	Very high	88.3	Confident	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.9	-54.6	175.2	-174.9	0	0	0	0	110.7	Y772 L773 I774 I778 G779 E780 D809 E917	Y772-S776 PolarHBondContact O-N 2.8Å; Y772-S776 VanDerWaalsContact O-N 3.12Å; L773-S776 VanDerWaalsContact O-CB 3.3Å; L773-S776 WeakPolarHBondContact O-CB 3.46Å; L773-S776 PolarHBondContact O-N 2.99Å; L773-S776 VanDerWaalsContact O-N 3.08Å; I774-S776 VanDerWaalsContact C-N 3.26Å; I774-S776 PolarHBondContact O-N 2.56Å; S776-I778 VanDerWaalsContact C-N 3.31Å; S776-I778 PolarHBondContact O-N 3.27Å; S776-G779 CarbonylContact O-C 3.52Å; S776-G779 VanDerWaalsContact O-CA 3.3Å; S776-G779 WeakPolarHBondContact O-CA 3.49Å; S776-G779 PolarHBondContact O-N 2.85Å; S776-E780 PolarHBondContact O-N 2.98Å; S776-D809 VanDerWaalsContact CB-OD2 3.3Å; S776-D809 WeakPolarHBondContact CB-OD2 3.43Å; S776-D809 PolarHBondContact OG-OD2 3.4Å; S776-E917 VanDerWaalsContact CB-CD 3.41Å; S776-E917 WeakPolarHBondContact CB-OE2 3.41Å; S776-E917 WeakPolarHBondContact OG-CG 3.44Å
777	N	89.6	Confident	88.3	Confident	7 Å²	7	14.2 Å²	14.2	4%	0.037	7%	0.072	C	C	.	.	H	α-helix	trans	-57.6	-38	179.4	-69.9	97.3	0	0	0	113.2	A305 I307 L773 I774 G779 E780 V781 N805	A305-N777 PolarHBondContact O-ND2 2.95Å; I307-N777 PolarHBondContact O-ND2 3.49Å; L773-N777 PolarHBondContact O-N 2.9Å; L773-N777 PolarHBondContact O-OD1 2.86Å; I774-N777 PolarHBondContact O-N 2.81Å; N777-G779 VanDerWaalsContact C-N 3.28Å; N777-G779 PolarHBondContact O-N 2.99Å; N777-E780 PolarHBondContact O-N 2.96Å; N777-V781 VanDerWaalsContact O-CG2 3.3Å; N777-V781 WeakPolarHBondContact O-CG2 3.4Å; N777-V781 PolarHBondContact O-N 2.81Å; N777-N805 PolarHBondContact ND2-ND2 2.68Å
778	I	88.9	Confident	88.2	Confident	39 Å²	39	12.8 Å²	12.8	20%	0.2	7%	0.067	C	C	.	.	H	α-helix	trans	-61	-41.2	173.7	-68.4	167.9	0	0	0	110.2	I774 S776 V781 V782	I774-I778 HydrophobicContact CG2-CD1 3.89Å; I774-I778 HydrophobicContact CG2-CG1 4.3Å; I774-I778 VanDerWaalsContact O-CG1 3.28Å; I774-I778 WeakPolarHBondContact O-CG1 3.18Å; I774-I778 PolarHBondContact O-N 2.82Å; S776-I778 VanDerWaalsContact C-N 3.31Å; S776-I778 PolarHBondContact O-N 3.27Å; I778-V781 PolarHBondContact O-N 3.18Å; I778-V782 HydrophobicContact CG2-CG2 4.46Å; I778-V782 VanDerWaalsContact O-CG2 3.29Å; I778-V782 WeakPolarHBondContact O-CG2 3.42Å; I778-V782 PolarHBondContact O-N 2.79Å
779	G	91	Very high	88.1	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.4	-43.8	175.8	0	0	0	0	0	113.7	S775 S776 N777 V782 S783 G850 G854	S775-G779 PolarHBondContact O-N 3.16Å; S776-G779 CarbonylContact O-C 3.52Å; S776-G779 VanDerWaalsContact O-CA 3.3Å; S776-G779 WeakPolarHBondContact O-CA 3.49Å; S776-G779 PolarHBondContact O-N 2.85Å; N777-G779 VanDerWaalsContact C-N 3.28Å; N777-G779 PolarHBondContact O-N 2.99Å; G779-V782 PolarHBondContact O-N 2.84Å; G779-S783 WeakPolarHBondContact O-CB 3.37Å; G779-S783 PolarHBondContact O-N 2.83Å; G779-G850 VanDerWaalsContact CA-O 3.23Å; G779-G850 WeakPolarHBondContact CA-O 3.28Å; G779-G854 WeakPolarHBondContact O-CA 3.41Å
780	E	91.8	Very high	87.8	Confident	1 Å²	1	17.7 Å²	17.7	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-61.2	-45.2	175.6	-61.2	-174.5	159.4	0	0	111.6	A305 S776 N777 V782 S783 I784 L801 N805 L913	A305-E780 HydrophobicContact CB-CB 4.18Å; S776-E780 PolarHBondContact O-N 2.98Å; N777-E780 PolarHBondContact O-N 2.96Å; E780-V782 PolarHBondContact O-N 2.96Å; E780-S783 WeakPolarHBondContact O-CB 2.98Å; E780-S783 PolarHBondContact O-N 3.31Å; E780-I784 WeakPolarHBondContact O-CG1 3.45Å; E780-I784 PolarHBondContact O-N 2.88Å; E780-L801 HydrophobicContact CB-CD2 4.14Å; E780-L801 HydrophobicContact CG-CD2 3.87Å; E780-N805 PolarHBondContact OE1-OD1 2.84Å; E780-N805 PolarHBondContact OE2-ND2 3.16Å; E780-L913 HydrophobicContact CG-CD1 4.4Å; E780-L913 HydrophobicContact CG-CD2 4.15Å
781	V	89.5	Confident	87.5	Confident	18 Å²	18	18.8 Å²	18.8	11%	0.109	11%	0.111	C	C	.	.	H	α-helix	trans	-61.7	-44.7	176.5	171.4	0	0	0	0	111.3	I267 L302 A306 N777 I778 S783 I784 F785	I267-V781 HydrophobicContact CD1-CG1 3.95Å; I267-V781 HydrophobicContact CG2-CG1 4.34Å; L302-V781 HydrophobicContact CD1-CG1 4.3Å; L302-V781 HydrophobicContact CG-CG1 4.48Å; A306-V781 HydrophobicContact CB-CG2 3.56Å; N777-V781 VanDerWaalsContact O-CG2 3.3Å; N777-V781 WeakPolarHBondContact O-CG2 3.4Å; N777-V781 PolarHBondContact O-N 2.81Å; I778-V781 PolarHBondContact O-N 3.18Å; V781-S783 VanDerWaalsContact C-N 3.3Å; V781-S783 PolarHBondContact O-N 3.34Å; V781-I784 PolarHBondContact O-N 2.93Å; V781-F785 WeakPolarHBondContact O-CB 3.21Å; V781-F785 PolarHBondContact O-N 2.98Å
782	V	90.6	Very high	87.7	Confident	28 Å²	28	19.6 Å²	19.6	17%	0.17	12%	0.115	C	C	.	.	H	α-helix	trans	-63.3	-39.2	176.4	174.2	0	0	0	0	110.6	I778 G779 E780 F785 L786 V851	I778-V782 HydrophobicContact CG2-CG2 4.46Å; I778-V782 VanDerWaalsContact O-CG2 3.29Å; I778-V782 WeakPolarHBondContact O-CG2 3.42Å; I778-V782 PolarHBondContact O-N 2.79Å; G779-V782 PolarHBondContact O-N 2.84Å; E780-V782 PolarHBondContact O-N 2.96Å; V782-F785 PolarHBondContact O-N 3.34Å; V782-L786 HydrophobicContact CG1-CD1 3.72Å; V782-L786 HydrophobicContact CG1-CG 4.09Å; V782-L786 WeakPolarHBondContact O-CB 3.39Å; V782-L786 VanDerWaalsContact O-CG 3.26Å; V782-L786 WeakPolarHBondContact O-CG 3.38Å; V782-L786 PolarHBondContact O-N 3.32Å; V782-V851 HydrophobicContact CG2-CG2 4.15Å
783	S	92.1	Very high	87.5	Confident	1 Å²	1	20.2 Å²	20.2	1%	0.007	12%	0.119	C	C	.	.	H	α-helix	trans	-58.3	-54.6	176.4	-172.1	0	0	0	0	111.2	G779 E780 V781 F785 L786 T787 T857 V858	G779-S783 WeakPolarHBondContact O-CB 3.37Å; G779-S783 PolarHBondContact O-N 2.83Å; E780-S783 WeakPolarHBondContact O-CB 2.98Å; E780-S783 PolarHBondContact O-N 3.31Å; V781-S783 VanDerWaalsContact C-N 3.3Å; V781-S783 PolarHBondContact O-N 3.34Å; S783-F785 PolarHBondContact O-N 2.93Å; S783-L786 PolarHBondContact O-N 3.26Å; S783-T787 PolarHBondContact O-N 2.76Å; S783-T787 PolarHBondContact O-OG1 3.19Å; S783-T857 VanDerWaalsContact CB-OG1 3.27Å; S783-T857 WeakPolarHBondContact CB-OG1 3.34Å; S783-T857 PolarHBondContact OG-OG1 3.33Å; S783-V858 WeakPolarHBondContact O-CG2 3.35Å
784	I	87.6	Confident	87.2	Confident	11 Å²	11	23.5 Å²	23.5	6%	0.056	14%	0.135	C	C	.	.	H	α-helix	trans	-62.3	-44.6	-179.8	-64.1	171.8	0	0	0	110.6	I298 L302 A305 E780 V781 L786 T787 A788 L801	I298-I784 HydrophobicContact CG2-CG2 4.12Å; L302-I784 HydrophobicContact CB-CG2 4.15Å; L302-I784 HydrophobicContact CD1-CB 4.17Å; L302-I784 HydrophobicContact CD1-CG2 3.85Å; A305-I784 HydrophobicContact CB-CD1 3.43Å; A305-I784 VanDerWaalsContact CB-CD1 3.43Å; E780-I784 WeakPolarHBondContact O-CG1 3.45Å; E780-I784 PolarHBondContact O-N 2.88Å; V781-I784 PolarHBondContact O-N 2.93Å; I784-L786 VanDerWaalsContact C-N 3.35Å; I784-L786 PolarHBondContact O-N 3.28Å; I784-T787 WeakPolarHBondContact CA-OG1 3.47Å; I784-T787 PolarHBondContact O-N 3.49Å; I784-T787 PolarHBondContact O-OG1 3.49Å; I784-A788 VanDerWaalsContact O-CB 3.29Å; I784-A788 WeakPolarHBondContact O-CB 3.44Å; I784-A788 PolarHBondContact O-N 2.91Å; I784-L801 HydrophobicContact CD1-CD1 3.71Å; I784-L801 HydrophobicContact CG1-CD1 4.49Å
785	F	86.7	Confident	87.4	Confident	68 Å²	68	22.8 Å²	22.8	30%	0.298	13%	0.131	S	C	.	.	H	α-helix	trans	-58.3	-46	178.3	179.1	-94.6	0	0	0	111.5	I267 V271 I274 V781 V782 S783 A788 A789	I267-F785 HydrophobicContact CG2-CD2 4.46Å; V271-F785 HydrophobicContact CG2-CD2 3.45Å; V271-F785 VanDerWaalsContact CG2-CD2 3.45Å; V271-F785 HydrophobicContact CG2-CE2 3.88Å; I274-F785 HydrophobicContact CD1-CE2 4.17Å; I274-F785 HydrophobicContact CD1-CZ 4.19Å; V781-F785 WeakPolarHBondContact O-CB 3.21Å; V781-F785 PolarHBondContact O-N 2.98Å; V782-F785 PolarHBondContact O-N 3.34Å; S783-F785 PolarHBondContact O-N 2.93Å; F785-A788 PolarHBondContact O-N 3.41Å; F785-A789 HydrophobicContact CE1-CB 4.29Å; F785-A789 HydrophobicContact CZ-CB 4.39Å; F785-A789 WeakPolarHBondContact O-CB 3.37Å; F785-A789 PolarHBondContact O-N 2.94Å
786	L	88.4	Confident	87.6	Confident	42 Å²	42	23.2 Å²	23.2	22%	0.22	13%	0.133	C	C	.	.	H	α-helix	trans	-66.7	-43.6	179.6	-75.8	175.3	0	0	0	112.2	V782 S783 I784 A788 L790 V858	V782-L786 HydrophobicContact CG1-CD1 3.72Å; V782-L786 HydrophobicContact CG1-CG 4.09Å; V782-L786 WeakPolarHBondContact O-CB 3.39Å; V782-L786 VanDerWaalsContact O-CG 3.26Å; V782-L786 WeakPolarHBondContact O-CG 3.38Å; V782-L786 PolarHBondContact O-N 3.32Å; S783-L786 PolarHBondContact O-N 3.26Å; I784-L786 VanDerWaalsContact C-N 3.35Å; I784-L786 PolarHBondContact O-N 3.28Å; L786-A788 VanDerWaalsContact C-N 3.35Å; L786-A788 PolarHBondContact O-N 2.95Å; L786-L790 VanDerWaalsContact O-CB 3.25Å; L786-L790 WeakPolarHBondContact O-CB 3.48Å; L786-L790 VanDerWaalsContact O-CG 3.29Å; L786-L790 WeakPolarHBondContact O-CG 3.41Å; L786-L790 PolarHBondContact O-N 2.76Å; L786-V858 HydrophobicContact CB-CG2 4.09Å
787	T	87.5	Confident	87.2	Confident	11 Å²	11	24 Å²	24	7%	0.067	14%	0.137	C	C	.	.	H	α-helix	trans	-62.4	-43.3	175.8	34.5	0	0	0	0	111.9	S783 I784 G791 L792 P793 A795 V858	S783-T787 PolarHBondContact O-N 2.76Å; S783-T787 PolarHBondContact O-OG1 3.19Å; I784-T787 WeakPolarHBondContact CA-OG1 3.47Å; I784-T787 PolarHBondContact O-N 3.49Å; I784-T787 PolarHBondContact O-OG1 3.49Å; T787-G791 PolarHBondContact O-N 2.9Å; T787-G791 VanDerWaalsContact O-N 3.16Å; T787-L792 HydrophobicContact CG2-CB 4.09Å; T787-L792 PolarHBondContact O-N 3.4Å; T787-P793 WeakPolarHBondContact CG2-O 3.47Å; T787-A795 HydrophobicContact CG2-CB 3.7Å; T787-V858 HydrophobicContact CG2-CG1 4.02Å; T787-V858 HydrophobicContact CG2-CG2 3.81Å
788	A	82	Confident	86.8	Confident	8 Å²	8	24.1 Å²	24.1	7%	0.066	14%	0.138	C	C	.	.	H	α-helix	trans	-68.2	-46.1	179.3	0	0	0	0	0	112.2	V271 N275 I298 I784 F785 L786 L790 G791	V271-A788 HydrophobicContact CG1-CB 4.22Å; N275-A788 PolarHBondContact OD1-O 3.19Å; I298-A788 HydrophobicContact CD1-CB 4.4Å; I298-A788 HydrophobicContact CG2-CB 4.06Å; I784-A788 VanDerWaalsContact O-CB 3.29Å; I784-A788 WeakPolarHBondContact O-CB 3.44Å; I784-A788 PolarHBondContact O-N 2.91Å; F785-A788 PolarHBondContact O-N 3.41Å; L786-A788 VanDerWaalsContact C-N 3.35Å; L786-A788 PolarHBondContact O-N 2.95Å; A788-L790 VanDerWaalsContact C-N 3.33Å; A788-L790 PolarHBondContact O-N 2.76Å; A788-G791 PolarHBondContact O-N 3.02Å
789	A	82.4	Confident	86.5	Confident	43 Å²	43	23.1 Å²	23.1	36%	0.355	13%	0.134	S	C	.	.	H	α-helix	trans	-69.4	-30	-177.2	0	0	0	0	0	113.2	F785	F785-A789 HydrophobicContact CE1-CB 4.29Å; F785-A789 HydrophobicContact CZ-CB 4.39Å; F785-A789 WeakPolarHBondContact O-CB 3.37Å; F785-A789 PolarHBondContact O-N 2.94Å
790	L	85.3	Confident	86.5	Confident	71 Å²	71	23.2 Å²	23.2	37%	0.372	13%	0.134	S	C	.	.	H	α-helix	trans	-91.5	-4.4	178	-63.1	174.6	0	0	0	113.3	L786 A788 L792 T880	L786-L790 VanDerWaalsContact O-CB 3.25Å; L786-L790 WeakPolarHBondContact O-CB 3.48Å; L786-L790 VanDerWaalsContact O-CG 3.29Å; L786-L790 WeakPolarHBondContact O-CG 3.41Å; L786-L790 PolarHBondContact O-N 2.76Å; A788-L790 VanDerWaalsContact C-N 3.33Å; A788-L790 PolarHBondContact O-N 2.76Å; L790-L792 HydrophobicContact CB-CD1 3.97Å; L790-L792 HydrophobicContact CB-CG 3.79Å; L790-L792 HydrophobicContact CD1-CD1 3.93Å; L790-L792 PolarHBondContact O-N 2.77Å; L790-T880 WeakPolarHBondContact O-CB 3.36Å; L790-T880 VanDerWaalsContact O-CG2 3.24Å; L790-T880 WeakPolarHBondContact O-CG2 3.27Å
791	G	80.7	Confident	86.3	Confident	25 Å²	25	23.2 Å²	23.2	26%	0.258	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	23.8	-176	0	0	0	0	0	113.8	T787 A788 T880	T787-G791 PolarHBondContact O-N 2.9Å; T787-G791 VanDerWaalsContact O-N 3.16Å; A788-G791 PolarHBondContact O-N 3.02Å; G791-T880 CarbonylContact O-C 3.57Å; G791-T880 VanDerWaalsContact O-O 3.06Å
792	L	85.7	Confident	86.1	Confident	20 Å²	20	22.6 Å²	22.6	11%	0.105	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-77.4	157	178.6	-61.6	173.1	0	0	0	110.5	T787 L790 V858 L879 T880	T787-L792 HydrophobicContact CG2-CB 4.09Å; T787-L792 PolarHBondContact O-N 3.4Å; L790-L792 HydrophobicContact CB-CD1 3.97Å; L790-L792 HydrophobicContact CB-CG 3.79Å; L790-L792 HydrophobicContact CD1-CD1 3.93Å; L790-L792 PolarHBondContact O-N 2.77Å; L792-V858 HydrophobicContact CD1-CG1 3.54Å; L792-L879 HydrophobicContact CD2-CB 4.3Å; L792-L879 HydrophobicContact CD2-CD2 3.56Å; L792-L879 HydrophobicContact CD2-CG 3.55Å; L792-T880 HydrophobicContact CD2-CG2 3.94Å
793	P	84.9	Confident	86.1	Confident	12 Å²	12	24.5 Å²	24.5	8%	0.078	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-54.4	146.2	167.2	-21.3	31.9	0	0	0	111.3	T787 A795 F865 L879 Q882 F900	T787-P793 WeakPolarHBondContact CG2-O 3.47Å; P793-A795 PolarHBondContact O-N 3.04Å; P793-A795 VanDerWaalsContact O-N 3.13Å; P793-F865 HydrophobicContact CB-CE2 4.11Å; P793-F865 HydrophobicContact CB-CZ 4.16Å; P793-F865 HydrophobicContact CG-CE2 3.9Å; P793-F865 HydrophobicContact CG-CZ 3.92Å; P793-L879 HydrophobicContact CG-CD1 4.14Å; P793-Q882 HydrophobicContact CG-CG 4.37Å; P793-F900 HydrophobicContact CG-CD1 3.75Å
794	E	84	Confident	86.1	Confident	72 Å²	72	24.5 Å²	24.5	34%	0.336	14%	0.135	S	C	.	.	P	Polyproline II helix	trans	-57.2	118.8	-179.8	-68	176	-159.8	0	0	109.9	Y294 M906	Y294-E794 PolarHBondContact OH-OE1 3.35Å; E794-M906 WeakPolarHBondContact O-CG 3.5Å
795	A	90	Very high	86.2	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-78.1	-31.5	179.2	0	0	0	0	0	111.6	T787 P793 V858 A861 M906 A909	T787-A795 HydrophobicContact CG2-CB 3.7Å; P793-A795 PolarHBondContact O-N 3.04Å; P793-A795 VanDerWaalsContact O-N 3.13Å; A795-V858 HydrophobicContact CB-CG2 4.41Å; A795-A861 HydrophobicContact CB-CB 4.13Å; A795-M906 WeakPolarHBondContact O-CA 3.26Å; A795-A909 HydrophobicContact CB-CB 3.99Å; A795-A909 VanDerWaalsContact O-CB 3.3Å; A795-A909 WeakPolarHBondContact O-CB 3.35Å
796	L	89.9	Confident	86.3	Confident	10 Å²	10	24.2 Å²	24.2	5%	0.052	14%	0.136	C	C	.	.			trans	-143.5	143	-177.4	-65.9	169.6	0	0	0	109.3	L801 T857 A909 L910 L913	L796-L801 HydrophobicContact CB-CD2 4.02Å; L796-L801 HydrophobicContact CB-CG 4.36Å; L796-L801 HydrophobicContact CD1-CD2 3.81Å; L796-L801 HydrophobicContact CG-CD2 4.42Å; L796-T857 HydrophobicContact CD1-CG2 4.47Å; L796-A909 HydrophobicContact CD2-CB 4.06Å; L796-A909 HydrophobicContact CG-CB 4.24Å; L796-L910 HydrophobicContact CD2-CB 3.92Å; L796-L910 HydrophobicContact CD2-CD1 4.2Å; L796-L913 HydrophobicContact CD1-CD2 3.87Å
797	I	83.7	Confident	86.4	Confident	16 Å²	16	23.8 Å²	23.8	8%	0.082	14%	0.135	C	C	.	.			trans	-109.7	157.2	177.9	59.9	167.3	0	0	0	111.4	V799 Q800 L801 M906 Q967	I797-V799 VanDerWaalsContact C-N 3.3Å; I797-V799 PolarHBondContact O-N 3.24Å; I797-Q800 HydrophobicContact CD1-CG 4.23Å; I797-Q800 HydrophobicContact CG1-CB 4.22Å; I797-Q800 VanDerWaalsContact CG1-CD 3.41Å; I797-Q800 HydrophobicContact CG1-CG 3.6Å; I797-Q800 WeakPolarHBondContact O-CB 3.24Å; I797-Q800 PolarHBondContact O-N 3.33Å; I797-L801 PolarHBondContact O-N 3.27Å; I797-M906 HydrophobicContact CG2-SD 3.92Å; I797-Q967 HydrophobicContact CD1-CB 4.14Å; I797-Q967 HydrophobicContact CD1-CG 4.09Å
798	P	80.4	Confident	86.7	Confident	11 Å²	11	23.3 Å²	23.3	7%	0.071	13%	0.132	C	C	.	.	H	α-helix	trans	-52.8	-42.2	-176.1	-29.1	35.7	0	0	0	114.5	E90 A301 Q800 L801 L802	E90-P798 HydrophobicContact CG-CB 4.32Å; A301-P798 HydrophobicContact CB-CG 3.61Å; P798-Q800 VanDerWaalsContact C-N 3.26Å; P798-Q800 PolarHBondContact O-N 3.44Å; P798-L801 PolarHBondContact O-N 2.84Å; P798-L801 VanDerWaalsContact O-N 3.15Å; P798-L802 WeakPolarHBondContact O-CB 3.33Å; P798-L802 VanDerWaalsContact O-CG 3.29Å; P798-L802 WeakPolarHBondContact O-CG 3.33Å; P798-L802 PolarHBondContact O-N 2.66Å
799	V	83.2	Confident	87.2	Confident	18 Å²	18	23 Å²	23	11%	0.109	13%	0.129	C	C	.	.	H	α-helix	trans	-62	-34.6	-178.9	-179.2	0	0	0	0	112	E90 I797 W803 F966	E90-V799 HydrophobicContact CB-CG2 4.26Å; I797-V799 VanDerWaalsContact C-N 3.3Å; I797-V799 PolarHBondContact O-N 3.24Å; V799-W803 PolarHBondContact O-N 3.42Å; V799-F966 HydrophobicContact CG1-CD1 3.82Å; V799-F966 HydrophobicContact CG1-CE1 3.78Å; V799-F966 WeakPolarHBondContact O-CE1 3.23Å
800	Q	89.8	Confident	87.7	Confident	1 Å²	1	21.2 Å²	21.2	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-70.5	-43.7	175.6	-66.6	166.4	-4.1	0	0	111.1	I797 P798 W803 V804 L910 F966	I797-Q800 HydrophobicContact CD1-CG 4.23Å; I797-Q800 HydrophobicContact CG1-CB 4.22Å; I797-Q800 VanDerWaalsContact CG1-CD 3.41Å; I797-Q800 HydrophobicContact CG1-CG 3.6Å; I797-Q800 WeakPolarHBondContact O-CB 3.24Å; I797-Q800 PolarHBondContact O-N 3.33Å; P798-Q800 VanDerWaalsContact C-N 3.26Å; P798-Q800 PolarHBondContact O-N 3.44Å; Q800-W803 WeakPolarHBondContact O-CB 3.48Å; Q800-W803 PolarHBondContact O-N 2.92Å; Q800-V804 WeakPolarHBondContact O-CG2 3.49Å; Q800-V804 PolarHBondContact O-N 3.32Å; Q800-L910 HydrophobicContact CB-CD1 4.12Å; Q800-L910 HydrophobicContact CB-CD2 4.47Å; Q800-L910 HydrophobicContact CG-CD2 4.22Å; Q800-F966 HydrophobicContact CG-CD1 4.4Å; Q800-F966 PolarHBondContact NE2-O 2.57Å
801	L	89.1	Confident	88.1	Confident	1 Å²	1	20.9 Å²	20.9	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-65.5	-41.4	-179.4	-59.3	171.4	0	0	0	111.6	A305 E780 I784 L796 I797 P798 W803 V804 N805 L913	A305-L801 HydrophobicContact CB-CD1 3.68Å; E780-L801 HydrophobicContact CB-CD2 4.14Å; E780-L801 HydrophobicContact CG-CD2 3.87Å; I784-L801 HydrophobicContact CD1-CD1 3.71Å; I784-L801 HydrophobicContact CG1-CD1 4.49Å; L796-L801 HydrophobicContact CB-CD2 4.02Å; L796-L801 HydrophobicContact CB-CG 4.36Å; L796-L801 HydrophobicContact CD1-CD2 3.81Å; L796-L801 HydrophobicContact CG-CD2 4.42Å; I797-L801 PolarHBondContact O-N 3.27Å; P798-L801 PolarHBondContact O-N 2.84Å; P798-L801 VanDerWaalsContact O-N 3.15Å; L801-W803 VanDerWaalsContact C-N 3.27Å; L801-W803 PolarHBondContact O-N 2.87Å; L801-V804 PolarHBondContact O-N 2.76Å; L801-V804 VanDerWaalsContact O-N 3.15Å; L801-N805 WeakPolarHBondContact O-CB 3.36Å; L801-N805 PolarHBondContact O-N 3.45Å; L801-N805 PolarHBondContact O-ND2 3.35Å; L801-L913 HydrophobicContact CD2-CD2 4.24Å
802	L	85.2	Confident	88.7	Confident	5 Å²	5	19.7 Å²	19.7	3%	0.026	10%	0.101	C	C	.	.	H	α-helix	trans	-54.7	-44.2	171.9	-75.2	168.2	0	0	0	111.5	V93 I94 I97 V304 E309 P798 L806	V93-L802 HydrophobicContact CB-CD1 4.43Å; V93-L802 HydrophobicContact CG1-CD1 3.85Å; I94-L802 HydrophobicContact CG1-CD1 4.22Å; I97-L802 HydrophobicContact CD1-CD2 3.72Å; V304-L802 HydrophobicContact CG1-CD2 3.71Å; V304-L802 HydrophobicContact CG1-CG 3.96Å; E309-L802 WeakPolarHBondContact OE1-CD2 3.33Å; E309-L802 WeakPolarHBondContact OE2-CD2 3.37Å; P798-L802 WeakPolarHBondContact O-CB 3.33Å; P798-L802 VanDerWaalsContact O-CG 3.29Å; P798-L802 WeakPolarHBondContact O-CG 3.33Å; P798-L802 PolarHBondContact O-N 2.66Å; L802-L806 WeakPolarHBondContact O-CB 3.29Å; L802-L806 PolarHBondContact O-N 2.93Å
803	W	90.4	Very high	89.1	Confident	68 Å²	68	18.7 Å²	18.7	26%	0.258	10%	0.096	S	C	.	.	H	α-helix	trans	-68.1	-40.3	177.6	-178.7	-93.2	0	0	0	112.5	V799 Q800 L801 V807 T808 I956 F966	V799-W803 PolarHBondContact O-N 3.42Å; Q800-W803 WeakPolarHBondContact O-CB 3.48Å; Q800-W803 PolarHBondContact O-N 2.92Å; L801-W803 VanDerWaalsContact C-N 3.27Å; L801-W803 PolarHBondContact O-N 2.87Å; W803-V807 HydrophobicContact CD2-CB 4.17Å; W803-V807 HydrophobicContact CD2-CG2 4.1Å; W803-V807 HydrophobicContact CE3-CB 4.44Å; W803-V807 HydrophobicContact CE3-CG2 3.87Å; W803-V807 HydrophobicContact CH2-CG1 4.24Å; W803-V807 HydrophobicContact CH2-CG2 4.21Å; W803-V807 HydrophobicContact CZ2-CB 4.26Å; W803-V807 HydrophobicContact CZ2-CG1 3.88Å; W803-V807 HydrophobicContact CZ2-CG2 4.4Å; W803-V807 HydrophobicContact CZ3-CG2 3.94Å; W803-V807 WeakPolarHBondContact O-CA 3.34Å; W803-V807 WeakPolarHBondContact O-CB 3.46Å; W803-V807 PolarHBondContact O-N 2.96Å; W803-T808 PolarHBondContact O-N 2.94Å; W803-I956 HydrophobicContact CZ2-CG2 3.95Å; W803-F966 HydrophobicContact CB-CE1 3.62Å; W803-F966 HydrophobicContact CB-CZ 4.03Å; W803-F966 HydrophobicContact CD2-CE1 4.29Å; W803-F966 AromaticContact CD2-CZ 3.76Å; W803-F966 HydrophobicContact CD2-CZ 3.76Å; W803-F966 HydrophobicContact CE3-CE1 4.42Å; W803-F966 AromaticContact CE3-CZ 3.68Å; W803-F966 HydrophobicContact CE3-CZ 3.68Å; W803-F966 AromaticContact CG-CE1 3.97Å; W803-F966 HydrophobicContact CG-CE1 3.97Å; W803-F966 AromaticContact CG-CZ 3.92Å; W803-F966 HydrophobicContact CG-CZ 3.92Å; W803-F966 HydrophobicContact CZ3-CZ 4.4Å
804	V	92	Very high	89.5	Confident	1 Å²	1	19.7 Å²	19.7	1%	0.006	10%	0.102	C	C	.	.	I	π-helix	trans	-63.1	-55.4	176.9	172.9	0	0	0	0	110.3	Q800 L801 L806 T808 D809 L910 L913 V914	Q800-V804 WeakPolarHBondContact O-CG2 3.49Å; Q800-V804 PolarHBondContact O-N 3.32Å; L801-V804 PolarHBondContact O-N 2.76Å; L801-V804 VanDerWaalsContact O-N 3.15Å; V804-L806 VanDerWaalsContact C-N 3.32Å; V804-L806 PolarHBondContact O-N 3.13Å; V804-T808 WeakPolarHBondContact O-CB 3.45Å; V804-T808 PolarHBondContact O-N 2.89Å; V804-D809 WeakPolarHBondContact O-CB 3.14Å; V804-D809 PolarHBondContact O-N 2.91Å; V804-L910 HydrophobicContact CG2-CD1 3.6Å; V804-L913 HydrophobicContact CG1-CD2 4.11Å; V804-L913 HydrophobicContact CG1-CG 4.37Å; V804-L913 HydrophobicContact CG2-CD2 4.23Å; V804-V914 HydrophobicContact CG2-CG2 4.25Å
805	N	89.5	Confident	89.9	Confident	3 Å²	3	16.5 Å²	16.5	2%	0.016	9%	0.088	C	C	.	.	I	π-helix	trans	-63.6	-33.8	-176.3	-73.6	-35.6	0	0	0	113.5	N777 E780 L801	N777-N805 PolarHBondContact ND2-ND2 2.68Å; E780-N805 PolarHBondContact OE1-OD1 2.84Å; E780-N805 PolarHBondContact OE2-ND2 3.16Å; L801-N805 WeakPolarHBondContact O-CB 3.36Å; L801-N805 PolarHBondContact O-N 3.45Å; L801-N805 PolarHBondContact O-ND2 3.35Å
806	L	87.5	Confident	90	Very high	71 Å²	71	16.5 Å²	16.5	37%	0.372	9%	0.088	S	C	.	.	I	π-helix	trans	-89.3	-44.4	-177.6	-172.8	64.6	0	0	0	113.3	I97 L802 V804	I97-L806 HydrophobicContact CD1-CD2 4.4Å; I97-L806 HydrophobicContact CG1-CD2 4.36Å; L802-L806 WeakPolarHBondContact O-CB 3.29Å; L802-L806 PolarHBondContact O-N 2.93Å; V804-L806 VanDerWaalsContact C-N 3.32Å; V804-L806 PolarHBondContact O-N 3.13Å
807	V	91.1	Very high	90	Very high	33 Å²	33	16.1 Å²	16.1	20%	0.2	9%	0.087	C	C	.	.	I	π-helix	trans	-106.6	-57	-169.3	-176.8	0	0	0	0	111.1	W803 L811 L952	W803-V807 HydrophobicContact CD2-CB 4.17Å; W803-V807 HydrophobicContact CD2-CG2 4.1Å; W803-V807 HydrophobicContact CE3-CB 4.44Å; W803-V807 HydrophobicContact CE3-CG2 3.87Å; W803-V807 HydrophobicContact CH2-CG1 4.24Å; W803-V807 HydrophobicContact CH2-CG2 4.21Å; W803-V807 HydrophobicContact CZ2-CB 4.26Å; W803-V807 HydrophobicContact CZ2-CG1 3.88Å; W803-V807 HydrophobicContact CZ2-CG2 4.4Å; W803-V807 HydrophobicContact CZ3-CG2 3.94Å; W803-V807 WeakPolarHBondContact O-CA 3.34Å; W803-V807 WeakPolarHBondContact O-CB 3.46Å; W803-V807 PolarHBondContact O-N 2.96Å; V807-L811 WeakPolarHBondContact O-CG 3.37Å; V807-L811 PolarHBondContact O-N 2.68Å; V807-L952 HydrophobicContact CG1-CD1 3.73Å
808	T	93.4	Very high	90.2	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.006	10%	0.095	C	C	.	.	I	π-helix	trans	-63.3	-46.7	-174.7	-53	0	0	0	0	111.4	W803 V804 P812 V914 M918 S949	W803-T808 PolarHBondContact O-N 2.94Å; V804-T808 WeakPolarHBondContact O-CB 3.45Å; V804-T808 PolarHBondContact O-N 2.89Å; T808-P812 WeakPolarHBondContact O-CD 3.48Å; T808-P812 WeakPolarHBondContact O-CG 3.24Å; T808-V914 HydrophobicContact CG2-CB 4.34Å; T808-V914 HydrophobicContact CG2-CG1 3.77Å; T808-V914 HydrophobicContact CG2-CG2 4Å; T808-M918 HydrophobicContact CG2-CE 3.94Å; T808-S949 PolarHBondContact O-OG 3.33Å
809	D	93.8	Very high	90.5	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-27.3	-179.1	-69.8	-5.3	0	0	0	111.8	Y772 L773 S776 V804 L811 P812 A813 E917	Y772-D809 HydrophobicContact CE1-CB 4.13Å; Y772-D809 WeakPolarHBondContact CE1-O 3.41Å; Y772-D809 WeakPolarHBondContact OH-CA 3.22Å; Y772-D809 VanDerWaalsContact OH-CG 3.29Å; Y772-D809 PolarHBondContact OH-OD1 3.17Å; L773-D809 HydrophobicContact CD2-CB 3.78Å; S776-D809 VanDerWaalsContact CB-OD2 3.3Å; S776-D809 WeakPolarHBondContact CB-OD2 3.43Å; S776-D809 PolarHBondContact OG-OD2 3.4Å; V804-D809 WeakPolarHBondContact O-CB 3.14Å; V804-D809 PolarHBondContact O-N 2.91Å; D809-L811 VanDerWaalsContact C-N 3.28Å; D809-L811 PolarHBondContact O-N 2.75Å; D809-P812 WeakPolarHBondContact O-CD 3.43Å; D809-A813 WeakPolarHBondContact O-CB 2.86Å; D809-A813 PolarHBondContact O-N 3.47Å; D809-E917 WeakPolarHBondContact OD1-CB 3.19Å
810	G	91.7	Very high	90.4	Very high	6 Å²	6	19.8 Å²	19.8	6%	0.062	11%	0.105	C	C	.	.	H	α-helix	trans	-59.4	-37.1	177.3	0	0	0	0	0	113.2	T814	G810-T814 WeakPolarHBondContact O-CB 3.34Å; G810-T814 PolarHBondContact O-N 3.49Å; G810-T814 PolarHBondContact O-OG1 2.7Å
811	L	93.8	Very high	90	Very high	64 Å²	64	23 Å²	23	34%	0.335	13%	0.126	S	C	.	.	H	α-helix	trans	-68.6	-56.1	178.9	-71.2	176.6	0	0	0	112.7	V807 D809 A813 T814 A815 A945 V948 L952	V807-L811 WeakPolarHBondContact O-CG 3.37Å; V807-L811 PolarHBondContact O-N 2.68Å; D809-L811 VanDerWaalsContact C-N 3.28Å; D809-L811 PolarHBondContact O-N 2.75Å; L811-A813 VanDerWaalsContact C-N 3.31Å; L811-A813 PolarHBondContact O-N 2.75Å; L811-T814 PolarHBondContact O-N 3.4Å; L811-A815 PolarHBondContact O-N 3.23Å; L811-A945 HydrophobicContact CB-CB 4.35Å; L811-V948 HydrophobicContact CD1-CB 4.37Å; L811-V948 HydrophobicContact CD1-CG1 3.71Å; L811-L952 HydrophobicContact CD1-CD1 3.87Å
812	P	94.4	Very high	89.5	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59.6	-38.4	173.4	-20.8	29.4	0	0	0	113.1	Y772 T808 D809 T814 A815 L816 M918 A921 L942	Y772-P812 HydrophobicContact CE1-CB 4.02Å; T808-P812 WeakPolarHBondContact O-CD 3.48Å; T808-P812 WeakPolarHBondContact O-CG 3.24Å; D809-P812 WeakPolarHBondContact O-CD 3.43Å; P812-T814 VanDerWaalsContact C-N 3.31Å; P812-T814 PolarHBondContact O-N 2.65Å; P812-A815 CarbonylContact O-C 3.6Å; P812-A815 WeakPolarHBondContact O-CA 3.46Å; P812-A815 WeakPolarHBondContact O-CB 3.36Å; P812-A815 PolarHBondContact O-N 3.03Å; P812-A815 VanDerWaalsContact O-N 3.07Å; P812-L816 WeakPolarHBondContact O-CG 3.41Å; P812-L816 PolarHBondContact O-N 2.78Å; P812-M918 HydrophobicContact CG-CE 3.55Å; P812-M918 HydrophobicContact CG-SD 3.94Å; P812-A921 HydrophobicContact CB-CB 3.77Å; P812-L942 HydrophobicContact CB-CD1 4.01Å
813	A	93.8	Very high	89.1	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.5	-42.8	177.1	0	0	0	0	0	111.4	V314 F769 Y772 L773 D809 L811 A815 L816	V314-A813 HydrophobicContact CG1-CB 3.9Å; V314-A813 HydrophobicContact CG2-CB 4.01Å; F769-A813 HydrophobicContact CB-CB 4.1Å; F769-A813 VanDerWaalsContact CB-O 3.31Å; F769-A813 WeakPolarHBondContact CB-O 3.47Å; Y772-A813 HydrophobicContact CD1-CB 3.91Å; Y772-A813 HydrophobicContact CE1-CB 3.99Å; L773-A813 HydrophobicContact CD1-CB 4Å; L773-A813 HydrophobicContact CD2-CB 3.92Å; L773-A813 HydrophobicContact CG-CB 3.93Å; D809-A813 WeakPolarHBondContact O-CB 2.86Å; D809-A813 PolarHBondContact O-N 3.47Å; L811-A813 VanDerWaalsContact C-N 3.31Å; L811-A813 PolarHBondContact O-N 2.75Å; A813-A815 VanDerWaalsContact C-N 3.33Å; A813-A815 PolarHBondContact O-N 3.03Å; A813-L816 PolarHBondContact O-N 3.3Å
814	T	92.5	Very high	88.7	Confident	32 Å²	32	33.4 Å²	33.4	20%	0.196	19%	0.186	C	C	.	.	H	α-helix	trans	-63.6	-40	173.1	-56.9	0	0	0	0	111.5	T317 G810 L811 P812 L816 G817	T317-T814 HydrophobicContact CG2-CG2 3.65Å; G810-T814 WeakPolarHBondContact O-CB 3.34Å; G810-T814 PolarHBondContact O-N 3.49Å; G810-T814 PolarHBondContact O-OG1 2.7Å; L811-T814 PolarHBondContact O-N 3.4Å; P812-T814 VanDerWaalsContact C-N 3.31Å; P812-T814 PolarHBondContact O-N 2.65Å; T814-L816 PolarHBondContact O-N 3.27Å; T814-G817 WeakPolarHBondContact O-CA 3.49Å; T814-G817 PolarHBondContact O-N 2.71Å; T814-G817 VanDerWaalsContact O-N 3.09Å
815	A	93.2	Very high	88.4	Confident	6 Å²	6	33.7 Å²	33.7	5%	0.05	19%	0.187	C	C	.	.	H	α-helix	trans	-66.9	-34.7	179.3	0	0	0	0	0	113.2	L811 P812 A813 G817 F818 N939 W941 L942 A945	L811-A815 PolarHBondContact O-N 3.23Å; P812-A815 CarbonylContact O-C 3.6Å; P812-A815 WeakPolarHBondContact O-CA 3.46Å; P812-A815 WeakPolarHBondContact O-CB 3.36Å; P812-A815 PolarHBondContact O-N 3.03Å; P812-A815 VanDerWaalsContact O-N 3.07Å; A813-A815 VanDerWaalsContact C-N 3.33Å; A813-A815 PolarHBondContact O-N 3.03Å; A815-G817 PolarHBondContact O-N 2.95Å; A815-F818 WeakPolarHBondContact O-CB 3.49Å; A815-F818 PolarHBondContact O-N 3.35Å; A815-N939 PolarHBondContact O-ND2 3.1Å; A815-W941 HydrophobicContact CB-CB 4.33Å; A815-L942 HydrophobicContact CB-CB 4.26Å; A815-L942 HydrophobicContact CB-CD1 4.12Å; A815-A945 HydrophobicContact CB-CB 3.66Å
816	L	92.1	Very high	88.4	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.4	-24.2	171.7	-72.5	173.5	0	0	0	112.3	F769 Y772 P812 A813 T814 F818 N819 S924 L942	F769-L816 HydrophobicContact CB-CB 3.94Å; F769-L816 HydrophobicContact CB-CD1 4.11Å; Y772-L816 HydrophobicContact CD1-CD1 3.98Å; Y772-L816 HydrophobicContact CG-CD1 4.07Å; P812-L816 WeakPolarHBondContact O-CG 3.41Å; P812-L816 PolarHBondContact O-N 2.78Å; A813-L816 PolarHBondContact O-N 3.3Å; T814-L816 PolarHBondContact O-N 3.27Å; L816-F818 PolarHBondContact O-N 3.35Å; L816-F818 VanDerWaalsContact O-N 3.1Å; L816-N819 WeakPolarHBondContact O-CB 3.39Å; L816-N819 PolarHBondContact O-N 2.84Å; L816-N819 VanDerWaalsContact O-N 3.11Å; L816-S924 WeakPolarHBondContact CD2-O 3.41Å; L816-L942 HydrophobicContact CD2-CD1 4.16Å; L816-L942 HydrophobicContact CD2-CD2 4.04Å; L816-L942 HydrophobicContact CG-CD1 4.15Å
817	G	89.1	Confident	88.4	Confident	2 Å²	2	36.5 Å²	36.5	2%	0.021	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-19.8	167.9	0	0	0	0	0	114.5	R325 N765 T814 A815	R325-G817 PolarHBondContact NH2-O 3.32Å; N765-G817 PolarHBondContact ND2-O 2.67Å; T814-G817 WeakPolarHBondContact O-CA 3.49Å; T814-G817 PolarHBondContact O-N 2.71Å; T814-G817 VanDerWaalsContact O-N 3.09Å; A815-G817 PolarHBondContact O-N 2.95Å
818	F	88.1	Confident	88.1	Confident	61 Å²	61	40.1 Å²	40.1	27%	0.268	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	13.5	178.7	-64.2	-89.4	0	0	0	114.3	L321 A815 L816 W941	L321-F818 HydrophobicContact CD1-CE1 4.04Å; L321-F818 HydrophobicContact CD1-CE2 3.55Å; L321-F818 HydrophobicContact CD1-CZ 3.21Å; L321-F818 HydrophobicContact CD2-CE1 4.23Å; L321-F818 HydrophobicContact CD2-CZ 3.83Å; L321-F818 HydrophobicContact CG-CZ 4.04Å; A815-F818 WeakPolarHBondContact O-CB 3.49Å; A815-F818 PolarHBondContact O-N 3.35Å; L816-F818 PolarHBondContact O-N 3.35Å; L816-F818 VanDerWaalsContact O-N 3.1Å; F818-W941 HydrophobicContact CB-CB 4.48Å; F818-W941 HydrophobicContact CB-CG 4.45Å; F818-W941 HydrophobicContact CD2-CB 4.44Å; F818-W941 HydrophobicContact CD2-CG 4.49Å; F818-W941 HydrophobicContact CG-CG 4.36Å
819	N	86.4	Confident	88	Confident	6 Å²	6	44.6 Å²	44.6	3%	0.032	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-59	143	173.3	-76	-11.1	0	0	0	110.9	N765 L816 L925 N939	N765-N819 PolarHBondContact ND2-N 2.97Å; N765-N819 PolarHBondContact ND2-O 2.64Å; N765-N819 WeakPolarHBondContact OD1-CB 3.4Å; L816-N819 WeakPolarHBondContact O-CB 3.39Å; L816-N819 PolarHBondContact O-N 2.84Å; L816-N819 VanDerWaalsContact O-N 3.11Å; N819-L925 PolarHBondContact ND2-O 3.13Å; N819-N939 PolarHBondContact OD1-ND2 2.97Å
820	P	82.1	Confident	87.9	Confident	54 Å²	54	46 Å²	46	35%	0.351	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-66.6	148.9	177	29	-35.1	0	0	0	111	V938	P820-V938 HydrophobicContact CG-CG1 3.53Å
821	P	81.1	Confident	87.7	Confident	68 Å²	68	47.7 Å²	47.7	44%	0.442	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-68.1	151.3	177.1	28.7	-34.3	0	0	0	112.1	A761 I825	A761-P821 HydrophobicContact CB-CB 3.81Å; P821-I825 HydrophobicContact CB-CD1 4.37Å
822	D	77.8	Confident	87.2	Confident	53 Å²	53	48.8 Å²	48.8	28%	0.283	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-61.7	141.1	169.5	-74.7	-12.6	0	0	0	110.7	D824 I825 R828	D822-D824 VanDerWaalsContact C-N 3.26Å; D822-D824 PolarHBondContact O-N 3.09Å; D822-I825 HydrophobicContact CB-CB 4.29Å; D822-I825 VanDerWaalsContact O-CB 3.32Å; D822-I825 WeakPolarHBondContact O-CB 3.3Å; D822-I825 WeakPolarHBondContact O-CG2 3.38Å; D822-I825 PolarHBondContact O-N 3.42Å; D822-R828 IonicContact OD2-CZ 3.47Å; D822-R828 IonicContact OD2-NH1 2.7Å; D822-R828 PolarHBondContact OD2-NH1 3.49Å; D822-R828 IonicContact OD2-NH2 2.81Å; D822-R828 PolarHBondContact OD2-NH2 2.68Å
823	L	76.6	Confident	86.6	Confident	184 Å²	184	50.5 Å²	50.5	96%	0.963	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-29.2	-179.5	-66.1	174.3	0	0	0	113.1
824	D	83.1	Confident	85.9	Confident	56 Å²	56	58.6 Å²	58.6	30%	0.299	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	14.3	-178.2	65.8	-40.9	0	0	0	112.8	D822 M826 E827 R828	D822-D824 VanDerWaalsContact C-N 3.26Å; D822-D824 PolarHBondContact O-N 3.09Å; D824-M826 PolarHBondContact O-N 2.9Å; D824-M826 VanDerWaalsContact O-N 3.12Å; D824-E827 HydrophobicContact CB-CB 4.39Å; D824-E827 HydrophobicContact CB-CG 4.47Å; D824-E827 WeakPolarHBondContact O-CB 3.48Å; D824-E827 PolarHBondContact O-N 3.03Å; D824-R828 PolarHBondContact O-N 3.35Å; D824-R828 IonicContact OD1-CZ 2.74Å; D824-R828 IonicContact OD1-NE 3.27Å; D824-R828 IonicContact OD1-NH2 3.14Å; D824-R828 PolarHBondContact OD1-NH2 3.17Å; D824-R828 IonicContact OD2-CZ 2.7Å; D824-R828 IonicContact OD2-NE 2.93Å; D824-R828 PolarHBondContact OD2-NE 2.86Å; D824-R828 IonicContact OD2-NH2 3.51Å; D824-R828 PolarHBondContact OD2-NH2 2.97Å
825	I	85.5	Confident	85.2	Confident	7 Å²	7	60.5 Å²	60.5	4%	0.036	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-28.9	-173.4	-158.2	162.9	0	0	0	113.8	E757 R760 A761 P821 D822	E757-I825 HydrophobicContact CG-CG2 3.99Å; R760-I825 HydrophobicContact CB-CD1 3.62Å; R760-I825 HydrophobicContact CB-CG1 3.64Å; R760-I825 PolarHBondContact NH1-O 3.2Å; A761-I825 HydrophobicContact CB-CD1 3.98Å; P821-I825 HydrophobicContact CB-CD1 4.37Å; D822-I825 HydrophobicContact CB-CB 4.29Å; D822-I825 VanDerWaalsContact O-CB 3.32Å; D822-I825 WeakPolarHBondContact O-CB 3.3Å; D822-I825 WeakPolarHBondContact O-CG2 3.38Å; D822-I825 PolarHBondContact O-N 3.42Å
826	M	88.9	Confident	84.5	Confident	22 Å²	22	63.7 Å²	63.7	11%	0.108	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	5	175.9	-67.9	-58.6	-70.6	0	0	113.7	S626 V753 E757 D824	S626-M826 VanDerWaalsContact CA-O 3.23Å; S626-M826 WeakPolarHBondContact CA-O 3.48Å; S626-M826 WeakPolarHBondContact CB-O 3.45Å; S626-M826 PolarHBondContact N-O 3.21Å; V753-M826 HydrophobicContact CG1-CE 3.73Å; E757-M826 HydrophobicContact CB-CG 4.05Å; E757-M826 HydrophobicContact CB-SD 3.72Å; E757-M826 HydrophobicContact CG-CG 3.84Å; E757-M826 HydrophobicContact CG-SD 4.15Å; D824-M826 PolarHBondContact O-N 2.9Å; D824-M826 VanDerWaalsContact O-N 3.12Å
827	E	88.3	Confident	83.7	Confident	112 Å²	112	64.3 Å²	64.3	52%	0.523	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-14.8	173.5	-51.5	-162.3	151.5	0	0	112.3	K625 D824	K625-E827 WeakPolarHBondContact CE-OE1 3.37Å; K625-E827 IonicContact NZ-OE1 3.66Å; K625-E827 PolarHBondContact NZ-OE1 3.36Å; D824-E827 HydrophobicContact CB-CB 4.39Å; D824-E827 HydrophobicContact CB-CG 4.47Å; D824-E827 WeakPolarHBondContact O-CB 3.48Å; D824-E827 PolarHBondContact O-N 3.03Å
828	R	85	Confident	83	Confident	108 Å²	108	66 Å²	66	41%	0.408	34%	0.342	S	S	.	.	S	Bend	trans	-83.5	148.1	175.4	-60.7	-178.3	-169.8	158.3	6.7	111	S626 R760 D822 D824	S626-R828 CarbonylContact C-O 3.57Å; S626-R828 VanDerWaalsContact O-O 3.09Å; R760-R828 PolarHBondContact NH1-O 3.5Å; D822-R828 IonicContact OD2-CZ 3.47Å; D822-R828 IonicContact OD2-NH1 2.7Å; D822-R828 PolarHBondContact OD2-NH1 3.49Å; D822-R828 IonicContact OD2-NH2 2.81Å; D822-R828 PolarHBondContact OD2-NH2 2.68Å; D824-R828 PolarHBondContact O-N 3.35Å; D824-R828 IonicContact OD1-CZ 2.74Å; D824-R828 IonicContact OD1-NE 3.27Å; D824-R828 IonicContact OD1-NH2 3.14Å; D824-R828 PolarHBondContact OD1-NH2 3.17Å; D824-R828 IonicContact OD2-CZ 2.7Å; D824-R828 IonicContact OD2-NE 2.93Å; D824-R828 PolarHBondContact OD2-NE 2.86Å; D824-R828 IonicContact OD2-NH2 3.51Å; D824-R828 PolarHBondContact OD2-NH2 2.97Å
829	P	91.3	Very high	82.5	Confident	96 Å²	96	65.7 Å²	65.7	62%	0.623	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-66.2	164.6	171.7	29.8	-35.1	0	0	0	111.4
830	P	91.9	Very high	82.3	Confident	28 Å²	28	68.4 Å²	68.4	18%	0.182	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-55.2	142	170.9	-19.7	31.4	0	0	0	111.1	T345 S626 G627 I628	T345-P830 WeakPolarHBondContact O-CG 3.37Å; S626-P830 WeakPolarHBondContact O-CD 3.27Å; G627-P830 WeakPolarHBondContact O-CD 3.35Å; I628-P830 HydrophobicContact CG1-CG 4.14Å
831	R	86.4	Confident	82.5	Confident	42 Å²	42	69.1 Å²	69.1	16%	0.158	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-64.3	143.1	176.2	-176.2	-175.3	69.7	94.9	-11.7	110	E340 C344 Y763 D835	E340-R831 IonicContact OE1-NH2 3.41Å; E340-R831 PolarHBondContact OE1-NH2 3.47Å; C344-R831 PolarHBondContact SG-NE 3.01Å; Y763-R831 VanDerWaalsContact CZ-CD 3.44Å; Y763-R831 VanDerWaalsContact CZ-NE 3.32Å; Y763-R831 WeakPolarHBondContact OH-CD 3.24Å; Y763-R831 PolarHBondContact OH-NE 2.98Å; R831-D835 HydrophobicContact CG-CB 4.17Å; R831-D835 WeakPolarHBondContact CG-OD2 3.49Å; R831-D835 PolarHBondContact NH1-O 2.76Å
832	N	84	Confident	82.6	Confident	87 Å²	87	66 Å²	66	47%	0.465	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-73.9	131.1	170.2	-166.2	-42.6	0	0	0	109.6	K834 D835	N832-K834 PolarHBondContact O-N 3.36Å; N832-K834 VanDerWaalsContact O-N 3.07Å; N832-K834 WeakPolarHBondContact OD1-CB 3.45Å; N832-K834 PolarHBondContact OD1-N 2.92Å; N832-D835 PolarHBondContact N-OD2 3.44Å; N832-D835 VanDerWaalsContact O-CB 3.29Å; N832-D835 WeakPolarHBondContact O-CB 3.17Å; N832-D835 PolarHBondContact O-N 3.41Å
833	I	81.1	Confident	82.9	Confident	36 Å²	36	69 Å²	69	19%	0.185	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-32.9	176.7	-57.4	171.6	0	0	0	111.1	P248 K252 V706 D835	P248-I833 HydrophobicContact CB-CG2 4.16Å; P248-I833 HydrophobicContact CG-CG2 4.41Å; K252-I833 WeakPolarHBondContact CE-O 3.28Å; V706-I833 HydrophobicContact CG2-CD1 3.41Å; V706-I833 VanDerWaalsContact CG2-CD1 3.41Å; V706-I833 HydrophobicContact CG2-CG1 3.54Å; I833-D835 VanDerWaalsContact C-N 3.29Å; I833-D835 PolarHBondContact O-N 3.23Å
834	K	79.3	Confident	83.6	Confident	170 Å²	170	65.6 Å²	65.6	74%	0.739	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-12.5	-179.3	-60.5	-177.6	-178.1	176.2	0	113.8	N832	N832-K834 PolarHBondContact O-N 3.36Å; N832-K834 VanDerWaalsContact O-N 3.07Å; N832-K834 WeakPolarHBondContact OD1-CB 3.45Å; N832-K834 PolarHBondContact OD1-N 2.92Å
835	D	79.1	Confident	83.9	Confident	73 Å²	73	63.1 Å²	63.1	39%	0.39	33%	0.327	S	S	.	.			trans	-60.8	128.2	179.2	-71	-22.5	0	0	0	110.1	R831 N832 I833	R831-D835 HydrophobicContact CG-CB 4.17Å; R831-D835 WeakPolarHBondContact CG-OD2 3.49Å; R831-D835 PolarHBondContact NH1-O 2.76Å; N832-D835 PolarHBondContact N-OD2 3.44Å; N832-D835 VanDerWaalsContact O-CB 3.29Å; N832-D835 WeakPolarHBondContact O-CB 3.17Å; N832-D835 PolarHBondContact O-N 3.41Å; I833-D835 VanDerWaalsContact C-N 3.29Å; I833-D835 PolarHBondContact O-N 3.23Å
836	P	77.4	Confident	83.9	Confident	73 Å²	73	63 Å²	63	47%	0.474	33%	0.326	S	S	.	.			trans	-72.7	149.1	178.8	29.9	-34.2	0	0	0	111.1	I838	P836-I838 PolarHBondContact O-N 3.5Å
837	L	74.6	Confident	83.8	Confident	13 Å²	13	64.2 Å²	64.2	7%	0.068	34%	0.335	C	S	.	.	S	Bend	trans	-59.6	-34	171.8	-75.9	160.6	0	0	0	111.6	K252 Y763 K767 I770	K252-L837 HydrophobicContact CB-CD1 3.94Å; K252-L837 HydrophobicContact CB-CG 4.43Å; Y763-L837 HydrophobicContact CE2-CD2 4.44Å; K767-L837 WeakPolarHBondContact CE-O 3.29Å; K767-L837 HydrophobicContact CG-CD2 4.26Å; I770-L837 HydrophobicContact CD1-CD2 4.28Å
838	I	76.4	Confident	84.1	Confident	37 Å²	37	60.5 Å²	60.5	19%	0.19	32%	0.323	C	S	.	.	S	Bend	trans	-124.8	113.9	-179.7	-51.9	177.3	0	0	0	109	I774 P836 L842 F843 Y846	I774-I838 HydrophobicContact CD1-CD1 3.9Å; I774-I838 HydrophobicContact CG2-CD1 4.38Å; P836-I838 PolarHBondContact O-N 3.5Å; I838-L842 HydrophobicContact CG2-CB 4.3Å; I838-L842 HydrophobicContact CG2-CD2 4.5Å; I838-F843 HydrophobicContact CG2-CB 3.68Å; I838-F843 HydrophobicContact CG2-CD2 4.3Å; I838-Y846 HydrophobicContact CG2-CD2 4.42Å
839	S	77	Confident	84.4	Confident	54 Å²	54	55.4 Å²	55.4	38%	0.378	30%	0.304	S	S	.	.			trans	-81	164.5	173.9	68.6	0	0	0	0	111.2	W841 L842 F843	S839-W841 PolarHBondContact O-N 3.27Å; S839-L842 CarbonylContact O-C 3.56Å; S839-L842 WeakPolarHBondContact O-CB 3.46Å; S839-L842 PolarHBondContact O-N 3.09Å; S839-L842 WeakPolarHBondContact OG-CB 3.16Å; S839-F843 WeakPolarHBondContact O-CB 3.33Å; S839-F843 PolarHBondContact O-N 3.07Å
840	G	82.7	Confident	84.4	Confident	63 Å²	63	50.8 Å²	50.8	65%	0.649	27%	0.274	S	S	*	.	H	α-helix	trans	-57	-43.4	-175.3	0	0	0	0	0	114.8	L842 F844	G840-L842 VanDerWaalsContact C-N 3.34Å; G840-F844 PolarHBondContact O-N 3.13Å; G840-F844 VanDerWaalsContact O-N 3.13Å
841	W	86.2	Confident	84.5	Confident	70 Å²	70	52.5 Å²	52.5	27%	0.265	28%	0.284	S	S	.	.	H	α-helix	trans	-64.3	-41.7	175.1	172.4	-110.8	0	0	0	111.9	S839 F844 R845 L993 I996 T1001	S839-W841 PolarHBondContact O-N 3.27Å; W841-F844 HydrophobicContact CE3-CD1 4.18Å; W841-F844 HydrophobicContact CH2-CD1 4.32Å; W841-F844 HydrophobicContact CH2-CE1 4.42Å; W841-F844 AromaticContact CZ3-CD1 3.84Å; W841-F844 HydrophobicContact CZ3-CD1 3.84Å; W841-F844 HydrophobicContact CZ3-CE1 4.16Å; W841-F844 WeakPolarHBondContact O-CB 3.35Å; W841-F844 PolarHBondContact O-N 2.83Å; W841-R845 PolarHBondContact O-N 3.44Å; W841-L993 HydrophobicContact CH2-CD2 4.5Å; W841-I996 HydrophobicContact CH2-CB 4.16Å; W841-I996 HydrophobicContact CH2-CG2 3.51Å; W841-I996 HydrophobicContact CZ2-CB 4.01Å; W841-I996 HydrophobicContact CZ2-CG2 3.69Å; W841-I996 HydrophobicContact CZ3-CG2 4.43Å; W841-T1001 HydrophobicContact CB-CG2 4.31Å; W841-T1001 HydrophobicContact CD2-CG2 4.19Å; W841-T1001 HydrophobicContact CG-CG2 3.99Å
842	L	82.5	Confident	85	Confident	1 Å²	1	53 Å²	53	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-68.9	-38.2	-178.2	-154.8	80.9	0	0	0	111.7	R771 I838 S839 G840 R845 Y846 E927	R771-L842 HydrophobicContact CG-CD2 4.26Å; I838-L842 HydrophobicContact CG2-CB 4.3Å; I838-L842 HydrophobicContact CG2-CD2 4.5Å; S839-L842 CarbonylContact O-C 3.56Å; S839-L842 WeakPolarHBondContact O-CB 3.46Å; S839-L842 PolarHBondContact O-N 3.09Å; S839-L842 WeakPolarHBondContact OG-CB 3.16Å; G840-L842 VanDerWaalsContact C-N 3.34Å; L842-R845 WeakPolarHBondContact O-CB 3.23Å; L842-R845 PolarHBondContact O-N 3.13Å; L842-Y846 HydrophobicContact CB-CE2 4.4Å; L842-Y846 HydrophobicContact CD1-CE2 4.33Å; L842-Y846 HydrophobicContact CD2-CE2 3.55Å; L842-Y846 HydrophobicContact CG-CD2 4.28Å; L842-Y846 HydrophobicContact CG-CE2 3.4Å; L842-Y846 VanDerWaalsContact CG-CE2 3.4Å; L842-Y846 WeakPolarHBondContact CG-OH 3.45Å; L842-Y846 WeakPolarHBondContact O-CD2 3.39Å; L842-Y846 PolarHBondContact O-N 2.94Å; L842-Y846 VanDerWaalsContact O-N 3.08Å; L842-E927 HydrophobicContact CD1-CG 4.46Å; L842-E927 WeakPolarHBondContact CD1-OE1 3.4Å
843	F	84.2	Confident	85.5	Confident	118 Å²	118	48.8 Å²	48.8	52%	0.518	26%	0.264	S	S	.	.	H	α-helix	trans	-57.7	-48.4	171.4	-179.3	-101.8	0	0	0	110.9	I838 S839 R845 Y846 V847	I838-F843 HydrophobicContact CG2-CB 3.68Å; I838-F843 HydrophobicContact CG2-CD2 4.3Å; S839-F843 WeakPolarHBondContact O-CB 3.33Å; S839-F843 PolarHBondContact O-N 3.07Å; F843-R845 VanDerWaalsContact C-N 3.33Å; F843-R845 PolarHBondContact O-N 2.99Å; F843-Y846 PolarHBondContact O-N 2.9Å; F843-V847 HydrophobicContact CD1-CG2 4.15Å; F843-V847 HydrophobicContact CE1-CG2 3.75Å; F843-V847 HydrophobicContact CE2-CG2 4.17Å; F843-V847 HydrophobicContact CZ-CG2 3.76Å; F843-V847 WeakPolarHBondContact O-CG2 3.49Å; F843-V847 PolarHBondContact O-N 2.97Å
844	F	90	Very high	86.1	Confident	111 Å²	111	47.1 Å²	47.1	49%	0.487	26%	0.255	S	S	.	.	H	α-helix	trans	-58.5	-44.4	176.5	171.4	-99.5	0	0	0	112.3	G840 W841 Y846 V847 A848 L993	G840-F844 PolarHBondContact O-N 3.13Å; G840-F844 VanDerWaalsContact O-N 3.13Å; W841-F844 HydrophobicContact CE3-CD1 4.18Å; W841-F844 HydrophobicContact CH2-CD1 4.32Å; W841-F844 HydrophobicContact CH2-CE1 4.42Å; W841-F844 AromaticContact CZ3-CD1 3.84Å; W841-F844 HydrophobicContact CZ3-CD1 3.84Å; W841-F844 HydrophobicContact CZ3-CE1 4.16Å; W841-F844 WeakPolarHBondContact O-CB 3.35Å; W841-F844 PolarHBondContact O-N 2.83Å; F844-Y846 VanDerWaalsContact C-N 3.34Å; F844-Y846 PolarHBondContact O-N 2.96Å; F844-V847 PolarHBondContact O-N 3.11Å; F844-A848 WeakPolarHBondContact O-CB 3.22Å; F844-A848 PolarHBondContact O-N 3.36Å; F844-L993 HydrophobicContact CE1-CD2 4.44Å
845	R	90	Very high	86.9	Confident	4 Å²	4	42 Å²	42	2%	0.015	24%	0.241	C	C	.	.	H	α-helix	trans	-57.7	-45.5	177.9	174.4	170	173.2	-153.3	-13.4	111.9	W841 L842 F843 A848 I849 E927 D990 L993 K994	W841-R845 PolarHBondContact O-N 3.44Å; L842-R845 WeakPolarHBondContact O-CB 3.23Å; L842-R845 PolarHBondContact O-N 3.13Å; F843-R845 VanDerWaalsContact C-N 3.33Å; F843-R845 PolarHBondContact O-N 2.99Å; R845-A848 PolarHBondContact O-N 3.29Å; R845-I849 HydrophobicContact CG-CD1 4.19Å; R845-I849 WeakPolarHBondContact O-CG1 3.35Å; R845-I849 PolarHBondContact O-N 3.18Å; R845-E927 PolarHBondContact NH1-O 2.91Å; R845-D990 IonicContact CZ-OD1 3.72Å; R845-D990 IonicContact CZ-OD2 3.85Å; R845-D990 IonicContact NE-OD1 2.82Å; R845-D990 PolarHBondContact NE-OD1 2.85Å; R845-D990 IonicContact NH2-OD1 3.74Å; R845-D990 PolarHBondContact NH2-OD1 3.02Å; R845-D990 IonicContact NH2-OD2 3.59Å; R845-D990 PolarHBondContact NH2-OD2 2.93Å; R845-L993 HydrophobicContact CB-CD1 4.47Å; R845-L993 HydrophobicContact CG-CB 4.09Å; R845-L993 HydrophobicContact CG-CD1 3.85Å; R845-K994 VanDerWaalsContact CZ-CG 3.49Å; R845-K994 VanDerWaalsContact NH2-CG 3.26Å
846	Y	85	Confident	87.7	Confident	5 Å²	5	39 Å²	39	2%	0.02	23%	0.225	C	C	.	.	H	α-helix	trans	-73.3	-33.7	178.7	-58.4	-43.3	0	0	0	113.6	R771 I838 L842 F843 F844 A848 I849 G850	R771-Y846 HydrophobicContact CB-CE1 4.34Å; R771-Y846 HydrophobicContact CB-CE2 3.73Å; R771-Y846 WeakPolarHBondContact CB-OH 3.11Å; R771-Y846 VanDerWaalsContact CD-OH 3.23Å; R771-Y846 WeakPolarHBondContact CD-OH 3.45Å; R771-Y846 HydrophobicContact CG-CE2 3.62Å; I838-Y846 HydrophobicContact CG2-CD2 4.42Å; L842-Y846 HydrophobicContact CB-CE2 4.4Å; L842-Y846 HydrophobicContact CD1-CE2 4.33Å; L842-Y846 HydrophobicContact CD2-CE2 3.55Å; L842-Y846 HydrophobicContact CG-CD2 4.28Å; L842-Y846 HydrophobicContact CG-CE2 3.4Å; L842-Y846 VanDerWaalsContact CG-CE2 3.4Å; L842-Y846 WeakPolarHBondContact CG-OH 3.45Å; L842-Y846 WeakPolarHBondContact O-CD2 3.39Å; L842-Y846 PolarHBondContact O-N 2.94Å; L842-Y846 VanDerWaalsContact O-N 3.08Å; F843-Y846 PolarHBondContact O-N 2.9Å; F844-Y846 VanDerWaalsContact C-N 3.34Å; F844-Y846 PolarHBondContact O-N 2.96Å; Y846-A848 VanDerWaalsContact C-N 3.29Å; Y846-A848 PolarHBondContact O-N 2.99Å; Y846-I849 HydrophobicContact CD1-CD1 4.45Å; Y846-I849 PolarHBondContact O-N 2.91Å; Y846-G850 PolarHBondContact O-N 3.05Å
847	V	88.5	Confident	88.6	Confident	48 Å²	48	35.6 Å²	35.6	29%	0.291	20%	0.203	S	C	.	.	H	α-helix	trans	-61.6	-41.5	170.5	171.4	0	0	0	0	110.2	F843 F844 V851	F843-V847 HydrophobicContact CD1-CG2 4.15Å; F843-V847 HydrophobicContact CE1-CG2 3.75Å; F843-V847 HydrophobicContact CE2-CG2 4.17Å; F843-V847 HydrophobicContact CZ-CG2 3.76Å; F843-V847 WeakPolarHBondContact O-CG2 3.49Å; F843-V847 PolarHBondContact O-N 2.97Å; F844-V847 PolarHBondContact O-N 3.11Å; V847-V851 HydrophobicContact CG1-CG2 4.21Å; V847-V851 VanDerWaalsContact O-CB 3.29Å; V847-V851 WeakPolarHBondContact O-CB 3.2Å; V847-V851 WeakPolarHBondContact O-CG2 3.38Å; V847-V851 PolarHBondContact O-N 3.34Å
848	A	92.9	Very high	89.6	Confident	34 Å²	34	35.4 Å²	35.4	28%	0.281	20%	0.203	S	C	.	.	H	α-helix	trans	-63.9	-43	177.4	0	0	0	0	0	112.4	F844 R845 Y846 Y852 L993	F844-A848 WeakPolarHBondContact O-CB 3.22Å; F844-A848 PolarHBondContact O-N 3.36Å; R845-A848 PolarHBondContact O-N 3.29Å; Y846-A848 VanDerWaalsContact C-N 3.29Å; Y846-A848 PolarHBondContact O-N 2.99Å; A848-Y852 PolarHBondContact O-N 2.94Å; A848-Y852 VanDerWaalsContact O-N 3.1Å; A848-L993 HydrophobicContact CB-CD1 4.32Å
849	I	92.6	Very high	90.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-67.3	-50.3	176.5	-64.3	168.6	0	0	0	110.3	R845 Y846 V851 Y852 V853 V986 D990 L993	R845-I849 HydrophobicContact CG-CD1 4.19Å; R845-I849 WeakPolarHBondContact O-CG1 3.35Å; R845-I849 PolarHBondContact O-N 3.18Å; Y846-I849 HydrophobicContact CD1-CD1 4.45Å; Y846-I849 PolarHBondContact O-N 2.91Å; I849-V851 VanDerWaalsContact C-N 3.33Å; I849-V851 PolarHBondContact O-N 2.9Å; I849-Y852 CarbonylContact O-C 3.43Å; I849-Y852 WeakPolarHBondContact O-CA 3.46Å; I849-Y852 VanDerWaalsContact O-CB 3.25Å; I849-Y852 WeakPolarHBondContact O-CB 3.37Å; I849-Y852 PolarHBondContact O-N 3.3Å; I849-V853 HydrophobicContact CG2-CG2 4.37Å; I849-V853 WeakPolarHBondContact O-CG2 3.41Å; I849-V853 PolarHBondContact O-N 3.2Å; I849-V986 HydrophobicContact CG2-CG2 4.09Å; I849-D990 HydrophobicContact CD1-CB 4.22Å; I849-D990 VanDerWaalsContact CD1-OD1 3.23Å; I849-D990 WeakPolarHBondContact CD1-OD1 2.96Å; I849-L993 HydrophobicContact CG1-CD1 4.38Å
850	G	91.9	Very high	91.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59	-42	178.5	0	0	0	0	0	112.4	G779 Y846 Y852 V853 G854	G779-G850 VanDerWaalsContact CA-O 3.23Å; G779-G850 WeakPolarHBondContact CA-O 3.28Å; Y846-G850 PolarHBondContact O-N 3.05Å; G850-Y852 VanDerWaalsContact C-N 3.28Å; G850-Y852 PolarHBondContact O-N 3.49Å; G850-V853 PolarHBondContact O-N 3.49Å; G850-V853 VanDerWaalsContact O-N 3.14Å; G850-G854 PolarHBondContact O-N 2.8Å
851	V	93.1	Very high	91.9	Very high	64 Å²	64	30 Å²	30	39%	0.388	16%	0.164	S	C	.	.	H	α-helix	trans	-60.9	-38.9	173.1	169.5	0	0	0	0	111.6	V782 V847 I849 C855	V782-V851 HydrophobicContact CG2-CG2 4.15Å; V847-V851 HydrophobicContact CG1-CG2 4.21Å; V847-V851 VanDerWaalsContact O-CB 3.29Å; V847-V851 WeakPolarHBondContact O-CB 3.2Å; V847-V851 WeakPolarHBondContact O-CG2 3.38Å; V847-V851 PolarHBondContact O-N 3.34Å; I849-V851 VanDerWaalsContact C-N 3.33Å; I849-V851 PolarHBondContact O-N 2.9Å; V851-C855 WeakPolarHBondContact O-CB 3.21Å; V851-C855 PolarHBondContact O-N 2.8Å; V851-C855 PolarHBondContact O-SG 3.06Å; V851-C855 VanDerWaalsContact O-SG 3.32Å
852	Y	96.2	Very high	92.2	Very high	51 Å²	51	27.9 Å²	27.9	20%	0.2	16%	0.161	C	C	.	.	H	α-helix	trans	-62.1	-46.6	173	177.6	-96.2	0	0	0	111.8	A848 I849 G850 C855 A856 I916 I982 P985 V986 I989	A848-Y852 PolarHBondContact O-N 2.94Å; A848-Y852 VanDerWaalsContact O-N 3.1Å; I849-Y852 CarbonylContact O-C 3.43Å; I849-Y852 WeakPolarHBondContact O-CA 3.46Å; I849-Y852 VanDerWaalsContact O-CB 3.25Å; I849-Y852 WeakPolarHBondContact O-CB 3.37Å; I849-Y852 PolarHBondContact O-N 3.3Å; G850-Y852 VanDerWaalsContact C-N 3.28Å; G850-Y852 PolarHBondContact O-N 3.49Å; Y852-C855 PolarHBondContact O-N 2.84Å; Y852-A856 HydrophobicContact CE1-CB 4.38Å; Y852-A856 WeakPolarHBondContact O-CB 3.22Å; Y852-A856 PolarHBondContact O-N 3.3Å; Y852-I916 HydrophobicContact CD1-CD1 4.47Å; Y852-I916 HydrophobicContact CE1-CD1 4.07Å; Y852-I982 PolarHBondContact OH-O 2.52Å; Y852-P985 WeakPolarHBondContact OH-CB 3.44Å; Y852-P985 WeakPolarHBondContact OH-CG 3.37Å; Y852-V986 HydrophobicContact CD1-CB 4.28Å; Y852-V986 HydrophobicContact CD1-CG2 4.3Å; Y852-V986 HydrophobicContact CE1-CB 4.02Å; Y852-I989 HydrophobicContact CD1-CD1 4.16Å; Y852-I989 HydrophobicContact CD2-CD1 3.44Å; Y852-I989 VanDerWaalsContact CD2-CD1 3.44Å; Y852-I989 HydrophobicContact CE1-CD1 4.3Å; Y852-I989 HydrophobicContact CE2-CD1 3.57Å; Y852-I989 HydrophobicContact CG-CD1 3.74Å
853	V	95	Very high	92.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-56.8	-52.9	177.2	179.9	0	0	0	0	110.7	I849 G850 C855 A856 T857 L913 I916	I849-V853 HydrophobicContact CG2-CG2 4.37Å; I849-V853 WeakPolarHBondContact O-CG2 3.41Å; I849-V853 PolarHBondContact O-N 3.2Å; G850-V853 PolarHBondContact O-N 3.49Å; G850-V853 VanDerWaalsContact O-N 3.14Å; V853-C855 VanDerWaalsContact C-N 3.35Å; V853-C855 PolarHBondContact O-N 2.99Å; V853-A856 WeakPolarHBondContact O-CB 3.43Å; V853-A856 PolarHBondContact O-N 2.53Å; V853-T857 HydrophobicContact CG1-CG2 4.33Å; V853-T857 WeakPolarHBondContact O-CG2 3.2Å; V853-T857 PolarHBondContact O-N 3.19Å; V853-T857 PolarHBondContact O-OG1 2.96Å; V853-L913 HydrophobicContact CG1-CD1 3.51Å; V853-I916 HydrophobicContact CG2-CG2 3.62Å
854	G	93.5	Very high	93.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.7	-37.1	-178.5	0	0	0	0	0	113.5	G779 G850 T857 V858	G779-G854 WeakPolarHBondContact O-CA 3.41Å; G850-G854 PolarHBondContact O-N 2.8Å; G854-T857 PolarHBondContact O-OG1 3.01Å; G854-V858 VanDerWaalsContact O-CG2 3.3Å; G854-V858 WeakPolarHBondContact O-CG2 3.15Å; G854-V858 PolarHBondContact O-N 2.96Å
855	C	95.8	Very high	93.4	Very high	64 Å²	64	19.7 Å²	19.7	43%	0.432	12%	0.124	S	C	.	.	H	α-helix	trans	-67.9	-36.6	172	-75	0	0	0	0	112.3	V851 Y852 V853 G859	V851-C855 WeakPolarHBondContact O-CB 3.21Å; V851-C855 PolarHBondContact O-N 2.8Å; V851-C855 PolarHBondContact O-SG 3.06Å; V851-C855 VanDerWaalsContact O-SG 3.32Å; Y852-C855 PolarHBondContact O-N 2.84Å; V853-C855 VanDerWaalsContact C-N 3.35Å; V853-C855 PolarHBondContact O-N 2.99Å; C855-G859 WeakPolarHBondContact O-CA 3.33Å; C855-G859 PolarHBondContact O-N 3.39Å
856	A	96.5	Very high	93.4	Very high	9 Å²	9	21.2 Å²	21.2	7%	0.074	14%	0.135	C	C	.	.	H	α-helix	trans	-70.3	-42.8	-178.5	0	0	0	0	0	112.1	Y852 V853 A860 V912 I916 I982	Y852-A856 HydrophobicContact CE1-CB 4.38Å; Y852-A856 WeakPolarHBondContact O-CB 3.22Å; Y852-A856 PolarHBondContact O-N 3.3Å; V853-A856 WeakPolarHBondContact O-CB 3.43Å; V853-A856 PolarHBondContact O-N 2.53Å; A856-A860 VanDerWaalsContact O-CB 3.3Å; A856-A860 WeakPolarHBondContact O-CB 3.27Å; A856-A860 PolarHBondContact O-N 3.06Å; A856-V912 HydrophobicContact CB-CG1 3.93Å; A856-I916 HydrophobicContact CB-CD1 3.67Å; A856-I982 HydrophobicContact CB-CG2 3.6Å
857	T	95.9	Very high	93.7	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	17%	0.166	C	C	.	.	H	α-helix	trans	-64.5	-51.3	177.3	52.3	0	0	0	0	111.3	S783 L796 V853 G854 G859 A860 A861 A909 V912 L913	S783-T857 VanDerWaalsContact CB-OG1 3.27Å; S783-T857 WeakPolarHBondContact CB-OG1 3.34Å; S783-T857 PolarHBondContact OG-OG1 3.33Å; L796-T857 HydrophobicContact CD1-CG2 4.47Å; V853-T857 HydrophobicContact CG1-CG2 4.33Å; V853-T857 WeakPolarHBondContact O-CG2 3.2Å; V853-T857 PolarHBondContact O-N 3.19Å; V853-T857 PolarHBondContact O-OG1 2.96Å; G854-T857 PolarHBondContact O-OG1 3.01Å; T857-G859 VanDerWaalsContact C-N 3.33Å; T857-G859 PolarHBondContact O-N 3.47Å; T857-A860 PolarHBondContact O-N 3.19Å; T857-A861 PolarHBondContact O-N 3.01Å; T857-A861 VanDerWaalsContact O-N 3.11Å; T857-A909 WeakPolarHBondContact O-CB 3.1Å; T857-V912 HydrophobicContact CG2-CG1 4.39Å; T857-L913 HydrophobicContact CG2-CB 3.83Å; T857-L913 HydrophobicContact CG2-CD1 4.4Å
858	V	94.9	Very high	93.9	Very high	10 Å²	10	25.3 Å²	25.3	6%	0.061	15%	0.154	C	C	.	.	H	α-helix	trans	-64.6	-40.2	177.5	178.9	0	0	0	0	110.9	S783 L786 T787 L792 A795 G854 A860 A861 A862	S783-V858 WeakPolarHBondContact O-CG2 3.35Å; L786-V858 HydrophobicContact CB-CG2 4.09Å; T787-V858 HydrophobicContact CG2-CG1 4.02Å; T787-V858 HydrophobicContact CG2-CG2 3.81Å; L792-V858 HydrophobicContact CD1-CG1 3.54Å; A795-V858 HydrophobicContact CB-CG2 4.41Å; G854-V858 VanDerWaalsContact O-CG2 3.3Å; G854-V858 WeakPolarHBondContact O-CG2 3.15Å; G854-V858 PolarHBondContact O-N 2.96Å; V858-A860 VanDerWaalsContact C-N 3.32Å; V858-A860 PolarHBondContact O-N 3.4Å; V858-A861 PolarHBondContact O-N 3.15Å; V858-A862 VanDerWaalsContact O-CB 3.28Å; V858-A862 WeakPolarHBondContact O-CB 3.43Å; V858-A862 PolarHBondContact O-N 3.31Å
859	G	95	Very high	93.6	Very high	34 Å²	34	28.2 Å²	28.2	35%	0.351	17%	0.17	S	C	.	.	H	α-helix	trans	-61.2	-37.6	175	0	0	0	0	0	113	C855 T857 W863	C855-G859 WeakPolarHBondContact O-CA 3.33Å; C855-G859 PolarHBondContact O-N 3.39Å; T857-G859 VanDerWaalsContact C-N 3.33Å; T857-G859 PolarHBondContact O-N 3.47Å; G859-W863 WeakPolarHBondContact O-CB 3.46Å; G859-W863 PolarHBondContact O-N 2.89Å
860	A	95.8	Very high	93.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-69.7	-41.9	177.2	0	0	0	0	0	112.5	A856 T857 V858 W863 W864 M908 V912 I982	A856-A860 VanDerWaalsContact O-CB 3.3Å; A856-A860 WeakPolarHBondContact O-CB 3.27Å; A856-A860 PolarHBondContact O-N 3.06Å; T857-A860 PolarHBondContact O-N 3.19Å; V858-A860 VanDerWaalsContact C-N 3.32Å; V858-A860 PolarHBondContact O-N 3.4Å; A860-W863 PolarHBondContact O-N 2.8Å; A860-W864 PolarHBondContact O-N 3.23Å; A860-M908 HydrophobicContact CB-CB 4.38Å; A860-V912 HydrophobicContact CB-CB 4.29Å; A860-V912 HydrophobicContact CB-CG2 3.66Å; A860-I982 HydrophobicContact CB-CD1 3.89Å
861	A	94.2	Very high	93	Very high	7 Å²	7	35.6 Å²	35.6	6%	0.058	21%	0.207	C	C	.	.	H	α-helix	trans	-63.2	-48.5	172.6	0	0	0	0	0	111.2	A795 T857 V858 W863 W864 F865 P905 A909	A795-A861 HydrophobicContact CB-CB 4.13Å; T857-A861 PolarHBondContact O-N 3.01Å; T857-A861 VanDerWaalsContact O-N 3.11Å; V858-A861 PolarHBondContact O-N 3.15Å; A861-W863 VanDerWaalsContact C-N 3.3Å; A861-W863 PolarHBondContact O-N 3.05Å; A861-W864 WeakPolarHBondContact O-CB 3.24Å; A861-W864 PolarHBondContact O-N 3.46Å; A861-W864 VanDerWaalsContact O-N 3.15Å; A861-F865 VanDerWaalsContact O-CD2 3.31Å; A861-F865 WeakPolarHBondContact O-CD2 3.45Å; A861-F865 PolarHBondContact O-N 3.14Å; A861-P905 HydrophobicContact CB-CB 4.2Å; A861-A909 HydrophobicContact CB-CB 4.3Å
862	A	93.4	Very high	92.7	Very high	24 Å²	24	34.8 Å²	34.8	20%	0.198	20%	0.203	C	C	.	.	H	α-helix	trans	-63.7	-34.2	178.8	0	0	0	0	0	112.8	V858 W864 F865 S866 L879	V858-A862 VanDerWaalsContact O-CB 3.28Å; V858-A862 WeakPolarHBondContact O-CB 3.43Å; V858-A862 PolarHBondContact O-N 3.31Å; A862-W864 VanDerWaalsContact C-N 3.33Å; A862-F865 PolarHBondContact O-N 2.85Å; A862-S866 WeakPolarHBondContact O-CB 3.45Å; A862-S866 PolarHBondContact O-N 2.92Å; A862-S866 PolarHBondContact O-OG 2.85Å; A862-L879 HydrophobicContact CB-CD2 4.14Å
863	W	94.9	Very high	92.3	Very high	40 Å²	40	38.2 Å²	38.2	15%	0.152	22%	0.221	C	C	.	.	H	α-helix	trans	-60.3	-42.9	173.6	171	84.6	0	0	0	111.5	G859 A860 A861 F865 S866 L867 Y868 M908 E975 M978	G859-W863 WeakPolarHBondContact O-CB 3.46Å; G859-W863 PolarHBondContact O-N 2.89Å; A860-W863 PolarHBondContact O-N 2.8Å; A861-W863 VanDerWaalsContact C-N 3.3Å; A861-W863 PolarHBondContact O-N 3.05Å; W863-F865 VanDerWaalsContact C-N 3.32Å; W863-F865 PolarHBondContact O-N 3.31Å; W863-S866 PolarHBondContact O-N 3.06Å; W863-L867 HydrophobicContact CG-CB 4.43Å; W863-L867 PolarHBondContact O-N 2.98Å; W863-Y868 AromaticContact CH2-CD2 3.24Å; W863-Y868 HydrophobicContact CH2-CD2 3.24Å; W863-Y868 AromaticContact CH2-CE2 3.81Å; W863-Y868 HydrophobicContact CH2-CE2 3.81Å; W863-Y868 AromaticContact CH2-CG 3.78Å; W863-Y868 HydrophobicContact CH2-CG 3.78Å; W863-Y868 AromaticContact CZ2-CD2 3.57Å; W863-Y868 HydrophobicContact CZ2-CD2 3.57Å; W863-Y868 HydrophobicContact CZ2-CE2 4.38Å; W863-Y868 HydrophobicContact CZ2-CG 4.19Å; W863-Y868 AromaticContact CZ3-CD2 3.98Å; W863-Y868 HydrophobicContact CZ3-CD2 3.98Å; W863-Y868 HydrophobicContact CZ3-CG 4.06Å; W863-Y868 PolarHBondContact O-N 3.4Å; W863-M908 HydrophobicContact CE3-CE 3.83Å; W863-M908 HydrophobicContact CZ3-CE 3.64Å; W863-M908 HydrophobicContact CZ3-SD 4.37Å; W863-E975 HydrophobicContact CZ3-CG 4.48Å; W863-M978 HydrophobicContact CD2-CE 4.33Å; W863-M978 HydrophobicContact CD2-CG 3.86Å; W863-M978 HydrophobicContact CE3-CG 4.04Å; W863-M978 HydrophobicContact CG-CE 4.05Å; W863-M978 HydrophobicContact CG-CG 4.48Å; W863-M978 HydrophobicContact CH2-CB 3.87Å; W863-M978 HydrophobicContact CH2-CG 4Å; W863-M978 HydrophobicContact CZ2-CB 4.05Å; W863-M978 HydrophobicContact CZ2-CG 3.83Å; W863-M978 HydrophobicContact CZ2-SD 4.26Å; W863-M978 HydrophobicContact CZ3-CB 4.16Å; W863-M978 HydrophobicContact CZ3-CG 4.12Å
864	W	94.6	Very high	91.9	Very high	13 Å²	13	38.5 Å²	38.5	5%	0.049	22%	0.222	C	C	.	.	H	α-helix	trans	-62.2	-41.1	177.8	-172.3	88.4	0	0	0	111.9	A860 A861 A862 Y868 P872 I899 H902 K904 P905 M908	A860-W864 PolarHBondContact O-N 3.23Å; A861-W864 WeakPolarHBondContact O-CB 3.24Å; A861-W864 PolarHBondContact O-N 3.46Å; A861-W864 VanDerWaalsContact O-N 3.15Å; A862-W864 VanDerWaalsContact C-N 3.33Å; W864-Y868 AromaticContact CD1-CD1 3.77Å; W864-Y868 AromaticContact NE1-CD1 3.82Å; W864-P872 HydrophobicContact CZ3-CG 4.24Å; W864-I899 HydrophobicContact CH2-CD1 3.84Å; W864-I899 HydrophobicContact CH2-CG1 4.35Å; W864-I899 HydrophobicContact CZ3-CD1 4.27Å; W864-I899 HydrophobicContact CZ3-CG1 4.28Å; W864-H902 HydrophobicContact CH2-CB 4.22Å; W864-H902 AromaticContact CH2-CG 3.95Å; W864-H902 AromaticContact CH2-ND1 3.77Å; W864-H902 AromaticContact CZ2-ND1 3.97Å; W864-K904 HydrophobicContact CD2-CB 4.29Å; W864-K904 HydrophobicContact CH2-CB 4.46Å; W864-K904 HydrophobicContact CZ2-CB 3.75Å; W864-K904 HydrophobicContact CZ2-CD 3.87Å; W864-K904 HydrophobicContact CZ2-CG 4.4Å; W864-P905 HydrophobicContact CB-CB 4.48Å; W864-P905 HydrophobicContact CD2-CB 4.45Å; W864-P905 HydrophobicContact CD2-CG 4.4Å; W864-P905 HydrophobicContact CE3-CB 4.04Å; W864-P905 HydrophobicContact CE3-CG 3.76Å; W864-P905 HydrophobicContact CZ3-CG 3.97Å; W864-M908 HydrophobicContact CB-CG 4.4Å
865	F	91.7	Very high	91.7	Very high	5 Å²	5	42.6 Å²	42.6	2%	0.022	24%	0.244	C	C	.	.	H	α-helix	trans	-69.5	-40.4	177.1	-76.8	-69	0	0	0	113.6	P793 A861 A862 W863 P872 Q873 L874 L879 F900 P905	P793-F865 HydrophobicContact CB-CE2 4.11Å; P793-F865 HydrophobicContact CB-CZ 4.16Å; P793-F865 HydrophobicContact CG-CE2 3.9Å; P793-F865 HydrophobicContact CG-CZ 3.92Å; A861-F865 VanDerWaalsContact O-CD2 3.31Å; A861-F865 WeakPolarHBondContact O-CD2 3.45Å; A861-F865 PolarHBondContact O-N 3.14Å; A862-F865 PolarHBondContact O-N 2.85Å; W863-F865 VanDerWaalsContact C-N 3.32Å; W863-F865 PolarHBondContact O-N 3.31Å; F865-P872 HydrophobicContact CD1-CG 4.03Å; F865-Q873 WeakPolarHBondContact O-CA 3.44Å; F865-Q873 PolarHBondContact O-N 3.03Å; F865-L874 HydrophobicContact CB-CD1 4.46Å; F865-L874 HydrophobicContact CD1-CD1 3.86Å; F865-L874 PolarHBondContact O-N 3.31Å; F865-L879 HydrophobicContact CB-CD1 3.58Å; F865-L879 HydrophobicContact CB-CD2 4.34Å; F865-L879 HydrophobicContact CD1-CD1 4.02Å; F865-L879 HydrophobicContact CD2-CD1 3.63Å; F865-L879 HydrophobicContact CE2-CD1 4.26Å; F865-L879 HydrophobicContact CG-CD1 3.48Å; F865-L879 VanDerWaalsContact CG-CD1 3.48Å; F865-F900 HydrophobicContact CE1-CD1 4.18Å; F865-P905 HydrophobicContact CD2-CB 4.07Å; F865-P905 HydrophobicContact CD2-CG 4.45Å; F865-P905 HydrophobicContact CE1-CG 4.27Å; F865-P905 HydrophobicContact CE2-CB 3.49Å; F865-P905 VanDerWaalsContact CE2-CB 3.49Å; F865-P905 HydrophobicContact CE2-CG 3.61Å; F865-P905 HydrophobicContact CZ-CB 3.97Å; F865-P905 HydrophobicContact CZ-CG 3.51Å
866	S	90.6	Very high	91.2	Very high	36 Å²	36	46.9 Å²	46.9	25%	0.252	25%	0.252	S	S	.	.	H	α-helix	trans	-105.6	-42.8	-163.7	-44.1	0	0	0	0	114	A862 W863 L874	A862-S866 WeakPolarHBondContact O-CB 3.45Å; A862-S866 PolarHBondContact O-N 2.92Å; A862-S866 PolarHBondContact O-OG 2.85Å; W863-S866 PolarHBondContact O-N 3.06Å; S866-L874 WeakPolarHBondContact CA-O 3.5Å; S866-L874 WeakPolarHBondContact CB-O 3.27Å
867	L	91.3	Very high	90.7	Very high	130 Å²	130	50.1 Å²	50.1	68%	0.681	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.3	-17.3	-165.9	-68	173	0	0	0	113.5	W863 P869	W863-L867 HydrophobicContact CG-CB 4.43Å; W863-L867 PolarHBondContact O-N 2.98Å; L867-P869 WeakPolarHBondContact O-CD 3.41Å
868	Y	92.2	Very high	90.2	Very high	9 Å²	9	51.2 Å²	51.2	4%	0.035	27%	0.268	C	S	.	.			trans	-70.1	122.8	-179.2	-176.2	-135	0	0	0	110.3	W863 W864 K870 G871 E975	W863-Y868 AromaticContact CH2-CD2 3.24Å; W863-Y868 HydrophobicContact CH2-CD2 3.24Å; W863-Y868 AromaticContact CH2-CE2 3.81Å; W863-Y868 HydrophobicContact CH2-CE2 3.81Å; W863-Y868 AromaticContact CH2-CG 3.78Å; W863-Y868 HydrophobicContact CH2-CG 3.78Å; W863-Y868 AromaticContact CZ2-CD2 3.57Å; W863-Y868 HydrophobicContact CZ2-CD2 3.57Å; W863-Y868 HydrophobicContact CZ2-CE2 4.38Å; W863-Y868 HydrophobicContact CZ2-CG 4.19Å; W863-Y868 AromaticContact CZ3-CD2 3.98Å; W863-Y868 HydrophobicContact CZ3-CD2 3.98Å; W863-Y868 HydrophobicContact CZ3-CG 4.06Å; W863-Y868 PolarHBondContact O-N 3.4Å; W864-Y868 AromaticContact CD1-CD1 3.77Å; W864-Y868 AromaticContact NE1-CD1 3.82Å; Y868-K870 HydrophobicContact CD1-CB 4.19Å; Y868-K870 HydrophobicContact CE1-CB 3.68Å; Y868-K870 PolarHBondContact O-N 2.86Å; Y868-K870 VanDerWaalsContact O-N 3.15Å; Y868-G871 WeakPolarHBondContact O-CA 3.45Å; Y868-G871 PolarHBondContact O-N 2.96Å; Y868-E975 HydrophobicContact CE1-CG 4.23Å; Y868-E975 WeakPolarHBondContact CE1-OE1 3.47Å; Y868-E975 HydrophobicContact CE2-CG 4.4Å
869	P	87.2	Confident	89.8	Confident	95 Å²	95	51 Å²	51	62%	0.617	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-30.8	-173.6	-26.8	35.2	0	0	0	114.2	L867 Q873	L867-P869 WeakPolarHBondContact O-CD 3.41Å; P869-Q873 PolarHBondContact O-NE2 3.37Å; P869-Q873 VanDerWaalsContact O-NE2 3.12Å
870	K	86.8	Confident	89.3	Confident	139 Å²	139	50.2 Å²	50.2	60%	0.604	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	1.6	177.3	-60.1	172.9	-176.1	149.6	0	112.8	Y868 E974	Y868-K870 HydrophobicContact CD1-CB 4.19Å; Y868-K870 HydrophobicContact CE1-CB 3.68Å; Y868-K870 PolarHBondContact O-N 2.86Å; Y868-K870 VanDerWaalsContact O-N 3.15Å; K870-E974 IonicContact NZ-OE1 3.33Å; K870-E974 PolarHBondContact NZ-OE1 2.96Å; K870-E974 IonicContact NZ-OE2 2.7Å; K870-E974 PolarHBondContact NZ-OE2 2.79Å
871	G	85.1	Confident	88.7	Confident	16 Å²	16	52.8 Å²	52.8	17%	0.165	27%	0.267	C	S	.	.	S	Bend	trans	-89.2	-176.4	173.8	0	0	0	0	0	112.1	Y868 Q873	Y868-G871 WeakPolarHBondContact O-CA 3.45Å; Y868-G871 PolarHBondContact O-N 2.96Å; G871-Q873 VanDerWaalsContact C-N 3.27Å; G871-Q873 PolarHBondContact O-N 3.03Å
872	P	86.8	Confident	88	Confident	47 Å²	47	54.7 Å²	54.7	31%	0.305	28%	0.275	S	S	.	.			trans	-73.4	-11.7	-175.7	27.8	-33.3	0	0	0	114.8	W864 F865 L874 I899	W864-P872 HydrophobicContact CZ3-CG 4.24Å; F865-P872 HydrophobicContact CD1-CG 4.03Å; P872-L874 VanDerWaalsContact C-N 3.34Å; P872-L874 HydrophobicContact CB-CD2 4.25Å; P872-L874 HydrophobicContact CB-CG 4.02Å; P872-L874 HydrophobicContact CG-CD1 4.26Å; P872-L874 HydrophobicContact CG-CG 4.04Å; P872-L874 PolarHBondContact O-N 3.21Å; P872-I899 HydrophobicContact CB-CG1 4.12Å; P872-I899 HydrophobicContact CG-CG1 3.93Å
873	Q	87.9	Confident	87	Confident	123 Å²	123	55.4 Å²	55.4	58%	0.575	28%	0.278	S	S	*	.			trans	53.6	45.1	179.6	-56.8	-171.6	20	0	0	114	F865 P869 G871	F865-Q873 WeakPolarHBondContact O-CA 3.44Å; F865-Q873 PolarHBondContact O-N 3.03Å; P869-Q873 PolarHBondContact O-NE2 3.37Å; P869-Q873 VanDerWaalsContact O-NE2 3.12Å; G871-Q873 VanDerWaalsContact C-N 3.27Å; G871-Q873 PolarHBondContact O-N 3.03Å
874	L	86.7	Confident	86.1	Confident	6 Å²	6	54.6 Å²	54.6	3%	0.031	28%	0.276	C	S	.	.			trans	-68.8	145.6	179.5	-59.6	178.1	0	0	0	111.6	F865 S866 P872 Q878 L879 V895 F900	F865-L874 HydrophobicContact CB-CD1 4.46Å; F865-L874 HydrophobicContact CD1-CD1 3.86Å; F865-L874 PolarHBondContact O-N 3.31Å; S866-L874 WeakPolarHBondContact CA-O 3.5Å; S866-L874 WeakPolarHBondContact CB-O 3.27Å; P872-L874 VanDerWaalsContact C-N 3.34Å; P872-L874 HydrophobicContact CB-CD2 4.25Å; P872-L874 HydrophobicContact CB-CG 4.02Å; P872-L874 HydrophobicContact CG-CD1 4.26Å; P872-L874 HydrophobicContact CG-CG 4.04Å; P872-L874 PolarHBondContact O-N 3.21Å; L874-Q878 HydrophobicContact CB-CB 4.38Å; L874-L879 HydrophobicContact CD1-CD1 4.32Å; L874-V895 HydrophobicContact CD2-CB 4.23Å; L874-V895 HydrophobicContact CD2-CG1 3.69Å; L874-V895 HydrophobicContact CD2-CG2 3.43Å; L874-V895 VanDerWaalsContact CD2-CG2 3.43Å; L874-F900 HydrophobicContact CD1-CD1 4.44Å; L874-F900 HydrophobicContact CD1-CE1 3.53Å; L874-F900 HydrophobicContact CD1-CZ 3.77Å
875	N	88	Confident	85.3	Confident	86 Å²	86	54.1 Å²	54.1	46%	0.46	28%	0.275	S	S	.	.			trans	-81.2	163.3	170	67.1	37.6	0	0	0	111.3	Y877 Q878 L879	N875-Y877 PolarHBondContact O-N 2.78Å; N875-Y877 PolarHBondContact OD1-N 2.85Å; N875-Q878 PolarHBondContact O-N 2.6Å; N875-Q878 WeakPolarHBondContact OD1-CB 3.36Å; N875-Q878 VanDerWaalsContact OD1-CG 3.24Å; N875-Q878 WeakPolarHBondContact OD1-CG 3.33Å; N875-Q878 PolarHBondContact OD1-N 2.9Å; N875-L879 PolarHBondContact O-N 3.24Å; N875-L879 VanDerWaalsContact O-N 3.08Å
876	Y	86.7	Confident	84.3	Confident	154 Å²	154	61.3 Å²	61.3	60%	0.604	31%	0.313	S	S	*	.	H	α-helix	trans	-57.4	-35.3	-176.9	-178.8	-100.9	0	0	0	113.5	L879 T880	Y876-L879 PolarHBondContact O-N 2.81Å; Y876-T880 HydrophobicContact CD1-CG2 4.33Å; Y876-T880 HydrophobicContact CD2-CG2 4.21Å; Y876-T880 HydrophobicContact CE1-CG2 3.9Å; Y876-T880 HydrophobicContact CE2-CG2 3.78Å; Y876-T880 HydrophobicContact CG-CG2 4.48Å; Y876-T880 WeakPolarHBondContact O-CG2 3.21Å; Y876-T880 PolarHBondContact O-N 3.12Å; Y876-T880 VanDerWaalsContact O-N 3.12Å; Y876-T880 PolarHBondContact O-OG1 2.96Å
877	Y	85.5	Confident	83.4	Confident	77 Å²	77	62.5 Å²	62.5	30%	0.302	33%	0.325	S	S	.	.	H	α-helix	trans	-66.6	-47.8	178.8	-177.8	-86.6	0	0	0	111.3	N875 L879 T880 H881 R891	N875-Y877 PolarHBondContact O-N 2.78Å; N875-Y877 PolarHBondContact OD1-N 2.85Å; Y877-L879 VanDerWaalsContact C-N 3.27Å; Y877-L879 PolarHBondContact O-N 2.77Å; Y877-T880 PolarHBondContact O-N 3.3Å; Y877-T880 PolarHBondContact O-OG1 2.96Å; Y877-H881 AromaticContact CD2-ND1 4Å; Y877-H881 HydrophobicContact CE1-CB 4.23Å; Y877-H881 AromaticContact CE2-CE1 3.74Å; Y877-H881 AromaticContact CE2-ND1 3.83Å; Y877-H881 AromaticContact CE2-NE2 3.88Å; Y877-H881 AromaticContact CZ-CD2 3.89Å; Y877-H881 AromaticContact CZ-CG 3.83Å; Y877-H881 WeakPolarHBondContact O-CB 3.33Å; Y877-H881 PolarHBondContact O-N 2.76Å; Y877-H881 VanDerWaalsContact O-N 3.08Å; Y877-H881 PolarHBondContact O-ND1 3.29Å; Y877-R891 HydrophobicContact CE1-CB 4.46Å; Y877-R891 VanDerWaalsContact CZ-NH1 3.28Å; Y877-R891 PolarHBondContact OH-NH1 2.67Å
878	Q	85.2	Confident	82.5	Confident	25 Å²	25	59.2 Å²	59.2	12%	0.117	31%	0.306	C	S	.	.	H	α-helix	trans	-59.8	-39.7	177.3	-74.1	169.6	-26.1	0	0	111.4	L874 N875 Q882 R891 F892	L874-Q878 HydrophobicContact CB-CB 4.38Å; N875-Q878 PolarHBondContact O-N 2.6Å; N875-Q878 WeakPolarHBondContact OD1-CB 3.36Å; N875-Q878 VanDerWaalsContact OD1-CG 3.24Å; N875-Q878 WeakPolarHBondContact OD1-CG 3.33Å; N875-Q878 PolarHBondContact OD1-N 2.9Å; Q878-Q882 PolarHBondContact O-N 2.91Å; Q878-R891 PolarHBondContact NE2-O 3.02Å; Q878-F892 HydrophobicContact CB-CD1 4.19Å; Q878-F892 HydrophobicContact CB-CE1 3.75Å; Q878-F892 HydrophobicContact CB-CZ 4.46Å; Q878-F892 HydrophobicContact CG-CD1 4.03Å; Q878-F892 HydrophobicContact CG-CE1 3.95Å; Q878-F892 VanDerWaalsContact O-CE1 3.3Å; Q878-F892 WeakPolarHBondContact O-CE1 3.38Å
879	L	85.6	Confident	81.4	Confident	4 Å²	4	66.5 Å²	66.5	2%	0.021	34%	0.341	C	S	.	.	H	α-helix	trans	-69.1	-41.5	-178.4	-166.4	65.7	0	0	0	113.2	L792 P793 A862 F865 L874 N875 Y876 Y877 F900	L792-L879 HydrophobicContact CD2-CB 4.3Å; L792-L879 HydrophobicContact CD2-CD2 3.56Å; L792-L879 HydrophobicContact CD2-CG 3.55Å; P793-L879 HydrophobicContact CG-CD1 4.14Å; A862-L879 HydrophobicContact CB-CD2 4.14Å; F865-L879 HydrophobicContact CB-CD1 3.58Å; F865-L879 HydrophobicContact CB-CD2 4.34Å; F865-L879 HydrophobicContact CD1-CD1 4.02Å; F865-L879 HydrophobicContact CD2-CD1 3.63Å; F865-L879 HydrophobicContact CE2-CD1 4.26Å; F865-L879 HydrophobicContact CG-CD1 3.48Å; F865-L879 VanDerWaalsContact CG-CD1 3.48Å; L874-L879 HydrophobicContact CD1-CD1 4.32Å; N875-L879 PolarHBondContact O-N 3.24Å; N875-L879 VanDerWaalsContact O-N 3.08Å; Y876-L879 PolarHBondContact O-N 2.81Å; Y877-L879 VanDerWaalsContact C-N 3.27Å; Y877-L879 PolarHBondContact O-N 2.77Å; L879-F900 HydrophobicContact CD1-CE1 4.29Å
880	T	84.8	Confident	80.7	Confident	19 Å²	19	66.8 Å²	66.8	12%	0.117	35%	0.345	C	S	.	.	H	α-helix	trans	-80.3	-19.9	-177.8	52.5	0	0	0	0	113.8	L790 G791 L792 Y876 Y877	L790-T880 WeakPolarHBondContact O-CB 3.36Å; L790-T880 VanDerWaalsContact O-CG2 3.24Å; L790-T880 WeakPolarHBondContact O-CG2 3.27Å; G791-T880 CarbonylContact O-C 3.57Å; G791-T880 VanDerWaalsContact O-O 3.06Å; L792-T880 HydrophobicContact CD2-CG2 3.94Å; Y876-T880 HydrophobicContact CD1-CG2 4.33Å; Y876-T880 HydrophobicContact CD2-CG2 4.21Å; Y876-T880 HydrophobicContact CE1-CG2 3.9Å; Y876-T880 HydrophobicContact CE2-CG2 3.78Å; Y876-T880 HydrophobicContact CG-CG2 4.48Å; Y876-T880 WeakPolarHBondContact O-CG2 3.21Å; Y876-T880 PolarHBondContact O-N 3.12Å; Y876-T880 VanDerWaalsContact O-N 3.12Å; Y876-T880 PolarHBondContact O-OG1 2.96Å; Y877-T880 PolarHBondContact O-N 3.3Å; Y877-T880 PolarHBondContact O-OG1 2.96Å
881	H	83.7	Confident	80.1	Confident	54 Å²	54	66.6 Å²	66.6	25%	0.25	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	30.8	179.3	-67	66.3	0	0	0	111.8	Y877 S883 Q884 F892	Y877-H881 AromaticContact CD2-ND1 4Å; Y877-H881 HydrophobicContact CE1-CB 4.23Å; Y877-H881 AromaticContact CE2-CE1 3.74Å; Y877-H881 AromaticContact CE2-ND1 3.83Å; Y877-H881 AromaticContact CE2-NE2 3.88Å; Y877-H881 AromaticContact CZ-CD2 3.89Å; Y877-H881 AromaticContact CZ-CG 3.83Å; Y877-H881 WeakPolarHBondContact O-CB 3.33Å; Y877-H881 PolarHBondContact O-N 2.76Å; Y877-H881 VanDerWaalsContact O-N 3.08Å; Y877-H881 PolarHBondContact O-ND1 3.29Å; H881-S883 PolarHBondContact O-N 3.47Å; H881-Q884 PolarHBondContact O-N 3.44Å; H881-F892 HydrophobicContact CB-CZ 4.43Å; H881-F892 VanDerWaalsContact O-CZ 3.28Å; H881-F892 WeakPolarHBondContact O-CZ 3.37Å
882	Q	80.1	Confident	79.8	Confident	46 Å²	46	66.1 Å²	66.1	22%	0.215	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-52.5	-33.6	-178	56.1	145	-0.2	0	0	113.4	P793 Q878 Q884 C885 F900	P793-Q882 HydrophobicContact CG-CG 4.37Å; Q878-Q882 PolarHBondContact O-N 2.91Å; Q882-Q884 PolarHBondContact O-N 3.17Å; Q882-Q884 VanDerWaalsContact O-N 3.16Å; Q882-C885 WeakPolarHBondContact O-CB 3.47Å; Q882-C885 PolarHBondContact O-N 3.46Å; Q882-F900 HydrophobicContact CB-CD1 3.67Å; Q882-F900 HydrophobicContact CB-CD2 4.15Å; Q882-F900 HydrophobicContact CB-CE1 3.74Å; Q882-F900 HydrophobicContact CB-CE2 4.23Å; Q882-F900 HydrophobicContact CB-CG 3.88Å; Q882-F900 HydrophobicContact CB-CZ 4.03Å
883	S	72.3	Confident	79.2	Confident	39 Å²	39	72 Å²	72	27%	0.273	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-60.9	-25.4	179.4	70	0	0	0	0	112	A283 H881	A283-S883 VanDerWaalsContact CB-CB 3.42Å; A283-S883 WeakPolarHBondContact CB-O 3.29Å; H881-S883 PolarHBondContact O-N 3.47Å
884	Q	76.5	Confident	78.7	Confident	23 Å²	23	70.3 Å²	70.3	11%	0.107	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-91.7	2	179.5	-58.7	180	4	0	0	113.3	D281 H881 Q882 L886 A887 Q888	D281-Q884 PolarHBondContact OD1-NE2 2.98Å; H881-Q884 PolarHBondContact O-N 3.44Å; Q882-Q884 PolarHBondContact O-N 3.17Å; Q882-Q884 VanDerWaalsContact O-N 3.16Å; Q884-L886 VanDerWaalsContact C-N 3.35Å; Q884-L886 PolarHBondContact O-N 3.09Å; Q884-A887 CarbonylContact O-C 3.59Å; Q884-A887 PolarHBondContact O-N 3.3Å; Q884-Q888 HydrophobicContact CB-CG 4.5Å; Q884-Q888 PolarHBondContact O-N 2.89Å
885	C	76.1	Confident	78.4	Confident	4 Å²	4	71.5 Å²	71.5	3%	0.027	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-46.3	-175.7	-171.6	0	0	0	0	112.6	Q882 A887 F892 C897 F900	Q882-C885 WeakPolarHBondContact O-CB 3.47Å; Q882-C885 PolarHBondContact O-N 3.46Å; C885-A887 VanDerWaalsContact C-N 3.32Å; C885-A887 PolarHBondContact O-N 3.34Å; C885-F892 HydrophobicContact CB-CD1 4.13Å; C885-F892 HydrophobicContact CB-CD2 4.4Å; C885-F892 HydrophobicContact CB-CE1 4.23Å; C885-F892 HydrophobicContact CB-CG 4.21Å; C885-F892 HydrophobicContact CB-CZ 4.43Å; C885-C897 VanDerWaalsContact C-SG 3.52Å; C885-C897 HydrophobicContact CB-CB 3.94Å; C885-C897 WeakPolarHBondContact CB-SG 3.43Å; C885-C897 WeakPolarHBondContact SG-CA 3.46Å; C885-C897 WeakPolarHBondContact SG-CB 3.39Å; C885-C897 CovalentContact SG-SG 2.04Å; C885-C897 PolarHBondContact SG-SG 3.24Å; C885-F900 HydrophobicContact CB-CE2 4.11Å
886	L	72.5	Confident	78.1	Confident	155 Å²	155	72.7 Å²	72.7	81%	0.812	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-22.2	177.3	-68.3	169	0	0	0	113.5	Q884 C897	Q884-L886 VanDerWaalsContact C-N 3.35Å; Q884-L886 PolarHBondContact O-N 3.09Å; L886-C897 HydrophobicContact CD2-CB 4.5Å
887	A	70.6	Confident	77.9	Confident	61 Å²	61	67.1 Å²	67.1	50%	0.504	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-23.2	-174.1	0	0	0	0	0	113.6	P282 Q884 C885	P282-A887 HydrophobicContact CB-CB 3.91Å; P282-A887 HydrophobicContact CG-CB 4.44Å; Q884-A887 CarbonylContact O-C 3.59Å; Q884-A887 PolarHBondContact O-N 3.3Å; C885-A887 VanDerWaalsContact C-N 3.32Å; C885-A887 PolarHBondContact O-N 3.34Å
888	Q	72	Confident	77.7	Confident	61 Å²	61	66.6 Å²	66.6	29%	0.285	38%	0.377	S	S	.	.			trans	-127.7	60.8	-176.8	-70.8	-175.9	11.8	0	0	111.6	Q884 S890 R891	Q884-Q888 HydrophobicContact CB-CG 4.5Å; Q884-Q888 PolarHBondContact O-N 2.89Å; Q888-S890 PolarHBondContact O-N 3.18Å; Q888-R891 PolarHBondContact O-N 2.93Å
889	E	68.5	Low	77.7	Confident	163 Å²	163	67.1 Å²	67.1	76%	0.762	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-46.8	-39.7	-179.9	-78.4	-176.1	154.6	0	0	113.4	R891 F892 E893	E889-R891 VanDerWaalsContact C-N 3.25Å; E889-R891 PolarHBondContact O-N 2.91Å; E889-R891 VanDerWaalsContact O-N 3.16Å; E889-F892 CarbonylContact O-C 3.56Å; E889-F892 PolarHBondContact O-N 2.76Å; E889-E893 PolarHBondContact O-N 2.7Å
890	S	73	Confident	77.7	Confident	101 Å²	101	67.9 Å²	67.9	71%	0.706	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-59.8	-26.2	-179.9	65.7	0	0	0	0	115.5	Q888	Q888-S890 PolarHBondContact O-N 3.18Å
891	R	74.5	Confident	77.5	Confident	135 Å²	135	71.3 Å²	71.3	51%	0.509	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-93.5	-9.4	178	-69.1	-163.1	177.1	171.3	0.1	113	Y877 Q878 Q888 E889	Y877-R891 HydrophobicContact CE1-CB 4.46Å; Y877-R891 VanDerWaalsContact CZ-NH1 3.28Å; Y877-R891 PolarHBondContact OH-NH1 2.67Å; Q878-R891 PolarHBondContact NE2-O 3.02Å; Q888-R891 PolarHBondContact O-N 2.93Å; E889-R891 VanDerWaalsContact C-N 3.25Å; E889-R891 PolarHBondContact O-N 2.91Å; E889-R891 VanDerWaalsContact O-N 3.16Å
892	F	80.1	Confident	77.8	Confident	6 Å²	6	71.9 Å²	71.9	3%	0.026	41%	0.411	C	S	.	.	S	Bend	trans	-117.4	25.4	-179.7	-69.3	-89.6	0	0	0	111.8	Q878 H881 C885 E889 G894 V895 F900	Q878-F892 HydrophobicContact CB-CD1 4.19Å; Q878-F892 HydrophobicContact CB-CE1 3.75Å; Q878-F892 HydrophobicContact CB-CZ 4.46Å; Q878-F892 HydrophobicContact CG-CD1 4.03Å; Q878-F892 HydrophobicContact CG-CE1 3.95Å; Q878-F892 VanDerWaalsContact O-CE1 3.3Å; Q878-F892 WeakPolarHBondContact O-CE1 3.38Å; H881-F892 HydrophobicContact CB-CZ 4.43Å; H881-F892 VanDerWaalsContact O-CZ 3.28Å; H881-F892 WeakPolarHBondContact O-CZ 3.37Å; C885-F892 HydrophobicContact CB-CD1 4.13Å; C885-F892 HydrophobicContact CB-CD2 4.4Å; C885-F892 HydrophobicContact CB-CE1 4.23Å; C885-F892 HydrophobicContact CB-CG 4.21Å; C885-F892 HydrophobicContact CB-CZ 4.43Å; E889-F892 CarbonylContact O-C 3.56Å; E889-F892 PolarHBondContact O-N 2.76Å; F892-G894 PolarHBondContact O-N 2.96Å; F892-V895 WeakPolarHBondContact O-CB 3.25Å; F892-V895 PolarHBondContact O-N 3.22Å; F892-F900 HydrophobicContact CD1-CE2 4.38Å; F892-F900 HydrophobicContact CD1-CZ 4.34Å; F892-F900 HydrophobicContact CE1-CE2 4.22Å; F892-F900 AromaticContact CE1-CZ 3.94Å; F892-F900 HydrophobicContact CE1-CZ 3.94Å
893	E	73.4	Confident	78.2	Confident	171 Å²	171	71.4 Å²	71.4	80%	0.799	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	121.4	-177.2	-150.5	176.4	-159.2	0	0	110.8	E889	E889-E893 PolarHBondContact O-N 2.7Å
894	G	78.1	Confident	79.2	Confident	87 Å²	87	71.9 Å²	71.9	90%	0.897	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	2.8	-176.8	0	0	0	0	0	115.8	F892	F892-G894 PolarHBondContact O-N 2.96Å
895	V	78.6	Confident	79.9	Confident	30 Å²	30	71 Å²	71	18%	0.182	41%	0.405	C	S	.	.			trans	-109.3	122.2	178.7	-176.7	0	0	0	0	109.8	L874 F892 C897 I899 F900	L874-V895 HydrophobicContact CD2-CB 4.23Å; L874-V895 HydrophobicContact CD2-CG1 3.69Å; L874-V895 HydrophobicContact CD2-CG2 3.43Å; L874-V895 VanDerWaalsContact CD2-CG2 3.43Å; F892-V895 WeakPolarHBondContact O-CB 3.25Å; F892-V895 PolarHBondContact O-N 3.22Å; V895-C897 PolarHBondContact O-N 2.82Å; V895-I899 HydrophobicContact CG1-CG2 3.95Å; V895-F900 HydrophobicContact CG1-CE2 4.36Å
896	D	82.6	Confident	80.8	Confident	111 Å²	111	71.5 Å²	71.5	59%	0.594	41%	0.407	S	S	*	.			trans	-76.3	120.5	168	-179.7	2.4	0	0	0	109.4	S898 I899	D896-S898 PolarHBondContact O-N 3.41Å; D896-S898 VanDerWaalsContact O-N 3.08Å; D896-S898 PolarHBondContact OD1-N 2.69Å; D896-S898 PolarHBondContact OD1-OG 2.69Å; D896-S898 PolarHBondContact OD2-OG 3.38Å; D896-I899 VanDerWaalsContact O-CB 3.29Å; D896-I899 WeakPolarHBondContact O-CB 3.41Å; D896-I899 WeakPolarHBondContact O-CG2 3.05Å; D896-I899 PolarHBondContact O-N 2.93Å
897	C	81.6	Confident	81.9	Confident	38 Å²	38	64.1 Å²	64.1	26%	0.257	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-60.1	-19.9	-179	-58.3	0	0	0	0	113.2	C885 L886 V895 I899 F900	C885-C897 VanDerWaalsContact C-SG 3.52Å; C885-C897 HydrophobicContact CB-CB 3.94Å; C885-C897 WeakPolarHBondContact CB-SG 3.43Å; C885-C897 WeakPolarHBondContact SG-CA 3.46Å; C885-C897 WeakPolarHBondContact SG-CB 3.39Å; C885-C897 CovalentContact SG-SG 2.04Å; C885-C897 PolarHBondContact SG-SG 3.24Å; L886-C897 HydrophobicContact CD2-CB 4.5Å; V895-C897 PolarHBondContact O-N 2.82Å; C897-I899 PolarHBondContact O-N 3.4Å; C897-F900 PolarHBondContact O-N 3.15Å
898	S	82.4	Confident	83.1	Confident	65 Å²	65	61.2 Å²	61.2	46%	0.455	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-62.2	-20.2	173.9	77.2	0	0	0	0	113.3	D896 F900 S901	D896-S898 PolarHBondContact O-N 3.41Å; D896-S898 VanDerWaalsContact O-N 3.08Å; D896-S898 PolarHBondContact OD1-N 2.69Å; D896-S898 PolarHBondContact OD1-OG 2.69Å; D896-S898 PolarHBondContact OD2-OG 3.38Å; S898-F900 VanDerWaalsContact C-N 3.25Å; S898-F900 PolarHBondContact O-N 2.94Å; S898-S901 PolarHBondContact O-N 3.48Å; S898-S901 PolarHBondContact O-OG 3.29Å
899	I	85.5	Confident	84.2	Confident	37 Å²	37	58.3 Å²	58.3	19%	0.19	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-65.1	-27.8	-178.1	-158.6	62.8	0	0	0	113	W864 P872 V895 D896 C897 S901 H902	W864-I899 HydrophobicContact CH2-CD1 3.84Å; W864-I899 HydrophobicContact CH2-CG1 4.35Å; W864-I899 HydrophobicContact CZ3-CD1 4.27Å; W864-I899 HydrophobicContact CZ3-CG1 4.28Å; P872-I899 HydrophobicContact CB-CG1 4.12Å; P872-I899 HydrophobicContact CG-CG1 3.93Å; V895-I899 HydrophobicContact CG1-CG2 3.95Å; D896-I899 VanDerWaalsContact O-CB 3.29Å; D896-I899 WeakPolarHBondContact O-CB 3.41Å; D896-I899 WeakPolarHBondContact O-CG2 3.05Å; D896-I899 PolarHBondContact O-N 2.93Å; C897-I899 PolarHBondContact O-N 3.4Å; I899-S901 VanDerWaalsContact C-N 3.27Å; I899-S901 PolarHBondContact O-N 2.85Å; I899-H902 HydrophobicContact CD1-CB 4.3Å; I899-H902 WeakPolarHBondContact O-CB 3.42Å; I899-H902 PolarHBondContact O-N 3.33Å; I899-H902 VanDerWaalsContact O-N 3.15Å
900	F	85	Confident	85.6	Confident	20 Å²	20	50.6 Å²	50.6	9%	0.088	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-70.5	-25.5	-179.7	-66.8	-68.9	0	0	0	112.5	P793 F865 L874 L879 Q882 C885 F892 V895 C897 S898	P793-F900 HydrophobicContact CG-CD1 3.75Å; F865-F900 HydrophobicContact CE1-CD1 4.18Å; L874-F900 HydrophobicContact CD1-CD1 4.44Å; L874-F900 HydrophobicContact CD1-CE1 3.53Å; L874-F900 HydrophobicContact CD1-CZ 3.77Å; L879-F900 HydrophobicContact CD1-CE1 4.29Å; Q882-F900 HydrophobicContact CB-CD1 3.67Å; Q882-F900 HydrophobicContact CB-CD2 4.15Å; Q882-F900 HydrophobicContact CB-CE1 3.74Å; Q882-F900 HydrophobicContact CB-CE2 4.23Å; Q882-F900 HydrophobicContact CB-CG 3.88Å; Q882-F900 HydrophobicContact CB-CZ 4.03Å; C885-F900 HydrophobicContact CB-CE2 4.11Å; F892-F900 HydrophobicContact CD1-CE2 4.38Å; F892-F900 HydrophobicContact CD1-CZ 4.34Å; F892-F900 HydrophobicContact CE1-CE2 4.22Å; F892-F900 AromaticContact CE1-CZ 3.94Å; F892-F900 HydrophobicContact CE1-CZ 3.94Å; V895-F900 HydrophobicContact CG1-CE2 4.36Å; C897-F900 PolarHBondContact O-N 3.15Å; S898-F900 VanDerWaalsContact C-N 3.25Å; S898-F900 PolarHBondContact O-N 2.94Å
901	S	81.4	Confident	86.7	Confident	90 Å²	90	45.8 Å²	45.8	63%	0.629	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-91.3	9.2	172.4	45.8	0	0	0	0	113.7	S898 I899	S898-S901 PolarHBondContact O-N 3.48Å; S898-S901 PolarHBondContact O-OG 3.29Å; I899-S901 VanDerWaalsContact C-N 3.27Å; I899-S901 PolarHBondContact O-N 2.85Å
902	H	88.2	Confident	87.8	Confident	67 Å²	67	39.4 Å²	39.4	31%	0.31	24%	0.237	S	C	.	.			trans	-69.3	137.8	-177.3	-166.2	-80.4	0	0	0	111.1	W864 I899 K904 P905	W864-H902 HydrophobicContact CH2-CB 4.22Å; W864-H902 AromaticContact CH2-CG 3.95Å; W864-H902 AromaticContact CH2-ND1 3.77Å; W864-H902 AromaticContact CZ2-ND1 3.97Å; I899-H902 HydrophobicContact CD1-CB 4.3Å; I899-H902 WeakPolarHBondContact O-CB 3.42Å; I899-H902 PolarHBondContact O-N 3.33Å; I899-H902 VanDerWaalsContact O-N 3.15Å; H902-K904 WeakPolarHBondContact ND1-CB 3.47Å; H902-K904 PolarHBondContact ND1-N 3.29Å; H902-K904 PolarHBondContact O-N 2.91Å; H902-P905 WeakPolarHBondContact O-CD 3.36Å; H902-P905 VanDerWaalsContact O-CG 3.27Å; H902-P905 WeakPolarHBondContact O-CG 3.5Å
903	P	90	Very high	88.5	Confident	35 Å²	35	39.1 Å²	39.1	23%	0.227	24%	0.236	C	C	.	.	H	α-helix	trans	-73	-21.5	-174.4	26.3	-36.8	0	0	0	115.4	M906 T907 Q967 T969	P903-M906 PolarHBondContact O-N 2.61Å; P903-T907 PolarHBondContact O-N 3.14Å; P903-T907 PolarHBondContact O-OG1 3.5Å; P903-Q967 WeakPolarHBondContact CB-O 3.2Å; P903-T969 HydrophobicContact CB-CG2 3.85Å; P903-T969 HydrophobicContact CG-CG2 3.33Å
904	K	92	Very high	89.6	Confident	49 Å²	49	31 Å²	31	21%	0.213	20%	0.198	C	C	.	.	H	α-helix	trans	-56.4	-50.7	179	-89.7	-167.8	171.7	-159	0	115.6	W864 H902 M906 T907 M908 T969 E975	W864-K904 HydrophobicContact CD2-CB 4.29Å; W864-K904 HydrophobicContact CH2-CB 4.46Å; W864-K904 HydrophobicContact CZ2-CB 3.75Å; W864-K904 HydrophobicContact CZ2-CD 3.87Å; W864-K904 HydrophobicContact CZ2-CG 4.4Å; H902-K904 WeakPolarHBondContact ND1-CB 3.47Å; H902-K904 PolarHBondContact ND1-N 3.29Å; H902-K904 PolarHBondContact O-N 2.91Å; K904-M906 VanDerWaalsContact C-N 3.29Å; K904-M906 PolarHBondContact O-N 3.17Å; K904-T907 CarbonylContact O-C 3.49Å; K904-T907 WeakPolarHBondContact O-CA 3.19Å; K904-T907 WeakPolarHBondContact O-CB 3.25Å; K904-T907 PolarHBondContact O-N 3.03Å; K904-M908 PolarHBondContact O-N 3.13Å; K904-T969 VanDerWaalsContact CG-OG1 3.3Å; K904-T969 WeakPolarHBondContact CG-OG1 3.28Å; K904-E975 IonicContact NZ-OE1 2.7Å; K904-E975 PolarHBondContact NZ-OE1 3.41Å; K904-E975 IonicContact NZ-OE2 3.15Å; K904-E975 PolarHBondContact NZ-OE2 2.85Å; K904-E975 VanDerWaalsContact NZ-OE2 3.16Å
905	P	92.9	Very high	90.5	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.032	16%	0.163	C	C	.	.	H	α-helix	trans	-59.3	-39.2	178.8	14.8	-27.5	0	0	0	112.4	A861 W864 F865 H902 T907 M908 A909	A861-P905 HydrophobicContact CB-CB 4.2Å; W864-P905 HydrophobicContact CB-CB 4.48Å; W864-P905 HydrophobicContact CD2-CB 4.45Å; W864-P905 HydrophobicContact CD2-CG 4.4Å; W864-P905 HydrophobicContact CE3-CB 4.04Å; W864-P905 HydrophobicContact CE3-CG 3.76Å; W864-P905 HydrophobicContact CZ3-CG 3.97Å; F865-P905 HydrophobicContact CD2-CB 4.07Å; F865-P905 HydrophobicContact CD2-CG 4.45Å; F865-P905 HydrophobicContact CE1-CG 4.27Å; F865-P905 HydrophobicContact CE2-CB 3.49Å; F865-P905 VanDerWaalsContact CE2-CB 3.49Å; F865-P905 HydrophobicContact CE2-CG 3.61Å; F865-P905 HydrophobicContact CZ-CB 3.97Å; F865-P905 HydrophobicContact CZ-CG 3.51Å; H902-P905 WeakPolarHBondContact O-CD 3.36Å; H902-P905 VanDerWaalsContact O-CG 3.27Å; H902-P905 WeakPolarHBondContact O-CG 3.5Å; P905-T907 VanDerWaalsContact C-N 3.31Å; P905-T907 PolarHBondContact O-N 3.31Å; P905-M908 WeakPolarHBondContact O-CB 3.47Å; P905-M908 PolarHBondContact O-N 3.09Å; P905-A909 PolarHBondContact O-N 2.97Å
906	M	93.4	Very high	91.4	Very high	14 Å²	14	26.8 Å²	26.8	7%	0.069	15%	0.154	C	C	.	.	H	α-helix	trans	-62.4	-40.2	171.5	-67.7	-174.2	-77.6	0	0	111.7	E794 A795 I797 P903 K904 M908 A909 L910 Q967	E794-M906 WeakPolarHBondContact O-CG 3.5Å; A795-M906 WeakPolarHBondContact O-CA 3.26Å; I797-M906 HydrophobicContact CG2-SD 3.92Å; P903-M906 PolarHBondContact O-N 2.61Å; K904-M906 VanDerWaalsContact C-N 3.29Å; K904-M906 PolarHBondContact O-N 3.17Å; M906-M908 VanDerWaalsContact C-N 3.35Å; M906-M908 PolarHBondContact O-N 3.27Å; M906-A909 PolarHBondContact O-N 3.34Å; M906-L910 WeakPolarHBondContact O-CB 3.38Å; M906-L910 PolarHBondContact O-N 3.11Å; M906-Q967 HydrophobicContact CE-CB 3.92Å
907	T	95.9	Very high	92	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.1	-37.3	176.5	-48.7	0	0	0	0	112.8	P903 K904 P905 S911 L957 I968 T969 L971	P903-T907 PolarHBondContact O-N 3.14Å; P903-T907 PolarHBondContact O-OG1 3.5Å; K904-T907 CarbonylContact O-C 3.49Å; K904-T907 WeakPolarHBondContact O-CA 3.19Å; K904-T907 WeakPolarHBondContact O-CB 3.25Å; K904-T907 PolarHBondContact O-N 3.03Å; P905-T907 VanDerWaalsContact C-N 3.31Å; P905-T907 PolarHBondContact O-N 3.31Å; T907-S911 VanDerWaalsContact O-CB 3.26Å; T907-S911 WeakPolarHBondContact O-CB 3.11Å; T907-S911 PolarHBondContact O-N 2.93Å; T907-S911 PolarHBondContact O-OG 2.68Å; T907-L957 HydrophobicContact CG2-CD2 3.37Å; T907-I968 HydrophobicContact CG2-CB 4.3Å; T907-I968 HydrophobicContact CG2-CG2 4.49Å; T907-I968 VanDerWaalsContact OG1-CA 3.31Å; T907-I968 WeakPolarHBondContact OG1-CA 3.37Å; T907-I968 WeakPolarHBondContact OG1-CB 3.46Å; T907-T969 VanDerWaalsContact CG2-O 3.31Å; T907-T969 WeakPolarHBondContact CG2-O 3.43Å; T907-T969 PolarHBondContact OG1-N 3.3Å; T907-T969 PolarHBondContact OG1-O 2.87Å; T907-L971 HydrophobicContact CG2-CD1 4.11Å; T907-L971 HydrophobicContact CG2-CD2 3.88Å; T907-L971 HydrophobicContact CG2-CG 3.77Å
908	M	96.3	Very high	92.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.5	-46.9	175.1	-75.5	-64.2	-58.9	0	0	111	A860 W863 W864 K904 P905 M906 V912 L971 E975 M978 V979	A860-M908 HydrophobicContact CB-CB 4.38Å; W863-M908 HydrophobicContact CE3-CE 3.83Å; W863-M908 HydrophobicContact CZ3-CE 3.64Å; W863-M908 HydrophobicContact CZ3-SD 4.37Å; W864-M908 HydrophobicContact CB-CG 4.4Å; K904-M908 PolarHBondContact O-N 3.13Å; P905-M908 WeakPolarHBondContact O-CB 3.47Å; P905-M908 PolarHBondContact O-N 3.09Å; M906-M908 VanDerWaalsContact C-N 3.35Å; M906-M908 PolarHBondContact O-N 3.27Å; M908-V912 WeakPolarHBondContact O-CG2 3.41Å; M908-V912 PolarHBondContact O-N 2.9Å; M908-L971 HydrophobicContact CG-CD2 4.15Å; M908-L971 HydrophobicContact SD-CD1 3.96Å; M908-L971 HydrophobicContact SD-CD2 3.75Å; M908-L971 HydrophobicContact SD-CG 4.49Å; M908-E975 HydrophobicContact SD-CB 3.76Å; M908-E975 HydrophobicContact SD-CG 4.15Å; M908-M978 HydrophobicContact CE-CB 4.3Å; M908-V979 HydrophobicContact CE-CG2 3.73Å; M908-V979 HydrophobicContact SD-CG2 4.04Å
909	A	95.8	Very high	93.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.7	-48.2	176.1	0	0	0	0	0	111.7	A795 L796 T857 A861 P905 M906 S911 V912 L913	A795-A909 HydrophobicContact CB-CB 3.99Å; A795-A909 VanDerWaalsContact O-CB 3.3Å; A795-A909 WeakPolarHBondContact O-CB 3.35Å; L796-A909 HydrophobicContact CD2-CB 4.06Å; L796-A909 HydrophobicContact CG-CB 4.24Å; T857-A909 WeakPolarHBondContact O-CB 3.1Å; A861-A909 HydrophobicContact CB-CB 4.3Å; P905-A909 PolarHBondContact O-N 2.97Å; M906-A909 PolarHBondContact O-N 3.34Å; A909-S911 PolarHBondContact O-N 3.12Å; A909-V912 PolarHBondContact O-N 3.21Å; A909-L913 PolarHBondContact O-N 3.21Å
910	L	96.1	Very high	93.5	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-61.3	-44.6	179	-177.3	63.7	0	0	0	111.7	L796 Q800 V804 M906 V912 L913 V914 I956 I968	L796-L910 HydrophobicContact CD2-CB 3.92Å; L796-L910 HydrophobicContact CD2-CD1 4.2Å; Q800-L910 HydrophobicContact CB-CD1 4.12Å; Q800-L910 HydrophobicContact CB-CD2 4.47Å; Q800-L910 HydrophobicContact CG-CD2 4.22Å; V804-L910 HydrophobicContact CG2-CD1 3.6Å; M906-L910 WeakPolarHBondContact O-CB 3.38Å; M906-L910 PolarHBondContact O-N 3.11Å; L910-V912 VanDerWaalsContact C-N 3.31Å; L910-V912 PolarHBondContact O-N 2.92Å; L910-L913 WeakPolarHBondContact O-CB 3.44Å; L910-L913 PolarHBondContact O-N 2.99Å; L910-V914 HydrophobicContact CD1-CG2 4.32Å; L910-V914 HydrophobicContact CG-CG2 4.46Å; L910-V914 WeakPolarHBondContact O-CG2 3.22Å; L910-V914 PolarHBondContact O-N 2.84Å; L910-I956 HydrophobicContact CD2-CD1 4.31Å; L910-I968 HydrophobicContact CD2-CD1 4.29Å; L910-I968 HydrophobicContact CD2-CG2 3.94Å
911	S	97.1	Very high	93.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-68.1	-31.6	-179.7	-57.4	0	0	0	0	112.6	T907 A909 L915 H953 L971 V979	T907-S911 VanDerWaalsContact O-CB 3.26Å; T907-S911 WeakPolarHBondContact O-CB 3.11Å; T907-S911 PolarHBondContact O-N 2.93Å; T907-S911 PolarHBondContact O-OG 2.68Å; A909-S911 PolarHBondContact O-N 3.12Å; S911-L915 WeakPolarHBondContact O-CB 3.47Å; S911-L915 PolarHBondContact O-N 3.08Å; S911-L915 VanDerWaalsContact O-N 3.08Å; S911-H953 PolarHBondContact OG-NE2 3.04Å; S911-L971 WeakPolarHBondContact OG-CD1 3.44Å; S911-V979 WeakPolarHBondContact O-CG1 3.42Å
912	V	97.3	Very high	94.5	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-68.1	-44.5	170.6	166.2	0	0	0	0	111.2	A856 T857 A860 M908 A909 L910 L915 I916 V979 I982	A856-V912 HydrophobicContact CB-CG1 3.93Å; T857-V912 HydrophobicContact CG2-CG1 4.39Å; A860-V912 HydrophobicContact CB-CB 4.29Å; A860-V912 HydrophobicContact CB-CG2 3.66Å; M908-V912 WeakPolarHBondContact O-CG2 3.41Å; M908-V912 PolarHBondContact O-N 2.9Å; A909-V912 PolarHBondContact O-N 3.21Å; L910-V912 VanDerWaalsContact C-N 3.31Å; L910-V912 PolarHBondContact O-N 2.92Å; V912-L915 PolarHBondContact O-N 3.3Å; V912-I916 HydrophobicContact CG1-CD1 3.56Å; V912-I916 HydrophobicContact CG1-CG1 4.26Å; V912-I916 WeakPolarHBondContact O-CB 3.39Å; V912-I916 VanDerWaalsContact O-CG1 3.27Å; V912-I916 WeakPolarHBondContact O-CG1 3.45Å; V912-I916 PolarHBondContact O-N 3.32Å; V912-V979 HydrophobicContact CG2-CB 4.21Å; V912-V979 HydrophobicContact CG2-CG1 3.95Å; V912-V979 HydrophobicContact CG2-CG2 4.14Å; V912-I982 HydrophobicContact CG1-CG2 3.81Å; V912-I982 HydrophobicContact CG2-CB 4.33Å; V912-I982 HydrophobicContact CG2-CG2 4.2Å
913	L	96	Very high	94.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-56.8	-55.2	175.9	-179.8	60.7	0	0	0	110.7	E780 L796 L801 V804 V853 T857 A909 L910 L915 I916 E917	E780-L913 HydrophobicContact CG-CD1 4.4Å; E780-L913 HydrophobicContact CG-CD2 4.15Å; L796-L913 HydrophobicContact CD1-CD2 3.87Å; L801-L913 HydrophobicContact CD2-CD2 4.24Å; V804-L913 HydrophobicContact CG1-CD2 4.11Å; V804-L913 HydrophobicContact CG1-CG 4.37Å; V804-L913 HydrophobicContact CG2-CD2 4.23Å; V853-L913 HydrophobicContact CG1-CD1 3.51Å; T857-L913 HydrophobicContact CG2-CB 3.83Å; T857-L913 HydrophobicContact CG2-CD1 4.4Å; A909-L913 PolarHBondContact O-N 3.21Å; L910-L913 WeakPolarHBondContact O-CB 3.44Å; L910-L913 PolarHBondContact O-N 2.99Å; L913-L915 VanDerWaalsContact C-N 3.35Å; L913-L915 PolarHBondContact O-N 2.87Å; L913-I916 PolarHBondContact O-N 3.42Å; L913-E917 HydrophobicContact CD1-CG 4.16Å; L913-E917 WeakPolarHBondContact O-CG 3.34Å; L913-E917 PolarHBondContact O-N 3.3Å
914	V	96.4	Very high	94.6	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.006	4%	0.04	C	C	.	.	H	α-helix	trans	-57	-46.3	-179.6	172	0	0	0	0	111.7	V804 T808 L910 E917 M918 M950 H953	V804-V914 HydrophobicContact CG2-CG2 4.25Å; T808-V914 HydrophobicContact CG2-CB 4.34Å; T808-V914 HydrophobicContact CG2-CG1 3.77Å; T808-V914 HydrophobicContact CG2-CG2 4Å; L910-V914 HydrophobicContact CD1-CG2 4.32Å; L910-V914 HydrophobicContact CG-CG2 4.46Å; L910-V914 WeakPolarHBondContact O-CG2 3.22Å; L910-V914 PolarHBondContact O-N 2.84Å; V914-E917 PolarHBondContact O-N 2.64Å; V914-M918 WeakPolarHBondContact O-CG 3.31Å; V914-M918 PolarHBondContact O-N 3.12Å; V914-M918 VanDerWaalsContact O-N 3.08Å; V914-M950 HydrophobicContact CG1-SD 3.92Å; V914-H953 HydrophobicContact CG1-CB 4.13Å
915	L	96.7	Very high	94.4	Very high	29 Å²	29	6.1 Å²	6.1	15%	0.152	3%	0.032	C	C	.	.	H	α-helix	trans	-69	-39.7	-178.8	-175.6	60.1	0	0	0	112	S911 V912 L913 E917 M918 L919 V979 I980	S911-L915 WeakPolarHBondContact O-CB 3.47Å; S911-L915 PolarHBondContact O-N 3.08Å; S911-L915 VanDerWaalsContact O-N 3.08Å; V912-L915 PolarHBondContact O-N 3.3Å; L913-L915 VanDerWaalsContact C-N 3.35Å; L913-L915 PolarHBondContact O-N 2.87Å; L915-E917 VanDerWaalsContact C-N 3.34Å; L915-M918 PolarHBondContact O-N 3.27Å; L915-L919 HydrophobicContact CG-CD1 4.43Å; L915-L919 VanDerWaalsContact O-CG 3.28Å; L915-L919 WeakPolarHBondContact O-CG 3.36Å; L915-L919 PolarHBondContact O-N 2.88Å; L915-V979 HydrophobicContact CB-CG1 4.29Å; L915-V979 HydrophobicContact CD2-CG1 3.95Å; L915-I980 HydrophobicContact CD2-CB 4.34Å; L915-I980 HydrophobicContact CD2-CG1 3.8Å
916	I	96.4	Very high	93.9	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-60.8	-45.9	174.5	-70.6	171.1	0	0	0	110	Y852 V853 A856 V912 L913 M918 L919 N920 V986	Y852-I916 HydrophobicContact CD1-CD1 4.47Å; Y852-I916 HydrophobicContact CE1-CD1 4.07Å; V853-I916 HydrophobicContact CG2-CG2 3.62Å; A856-I916 HydrophobicContact CB-CD1 3.67Å; V912-I916 HydrophobicContact CG1-CD1 3.56Å; V912-I916 HydrophobicContact CG1-CG1 4.26Å; V912-I916 WeakPolarHBondContact O-CB 3.39Å; V912-I916 VanDerWaalsContact O-CG1 3.27Å; V912-I916 WeakPolarHBondContact O-CG1 3.45Å; V912-I916 PolarHBondContact O-N 3.32Å; L913-I916 PolarHBondContact O-N 3.42Å; I916-M918 VanDerWaalsContact C-N 3.33Å; I916-M918 PolarHBondContact O-N 2.96Å; I916-L919 CarbonylContact O-C 3.58Å; I916-L919 PolarHBondContact O-N 2.87Å; I916-L919 VanDerWaalsContact O-N 3.07Å; I916-N920 WeakPolarHBondContact O-CB 3.47Å; I916-N920 PolarHBondContact O-N 3.31Å; I916-V986 HydrophobicContact CG2-CB 4.13Å; I916-V986 HydrophobicContact CG2-CG1 4.11Å; I916-V986 HydrophobicContact CG2-CG2 3.9Å
917	E	95	Very high	93.3	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-65.5	-34.8	-177.9	-67.5	-48.8	137.1	0	0	112.9	Y772 S776 D809 L913 V914 L915 L919 N920 A921	Y772-E917 HydrophobicContact CE2-CB 4.23Å; Y772-E917 WeakPolarHBondContact CE2-O 3.24Å; Y772-E917 VanDerWaalsContact CE2-OE2 3.31Å; Y772-E917 WeakPolarHBondContact CE2-OE2 3.39Å; S776-E917 VanDerWaalsContact CB-CD 3.41Å; S776-E917 WeakPolarHBondContact CB-OE2 3.41Å; S776-E917 WeakPolarHBondContact OG-CG 3.44Å; D809-E917 WeakPolarHBondContact OD1-CB 3.19Å; L913-E917 HydrophobicContact CD1-CG 4.16Å; L913-E917 WeakPolarHBondContact O-CG 3.34Å; L913-E917 PolarHBondContact O-N 3.3Å; V914-E917 PolarHBondContact O-N 2.64Å; L915-E917 VanDerWaalsContact C-N 3.34Å; E917-L919 VanDerWaalsContact C-N 3.33Å; E917-L919 PolarHBondContact O-N 2.9Å; E917-N920 PolarHBondContact O-N 2.93Å; E917-N920 PolarHBondContact OE2-ND2 3.45Å; E917-A921 WeakPolarHBondContact O-CB 3.28Å; E917-A921 PolarHBondContact O-N 2.92Å
918	M	95.1	Very high	92.6	Very high	3 Å²	3	9.6 Å²	9.6	2%	0.015	5%	0.05	C	C	.	.	H	α-helix	trans	-62	-41.1	171.6	-66.1	-52.3	94.5	0	0	112.2	T808 P812 V914 L915 I916 A921 M922 M946 M950	T808-M918 HydrophobicContact CG2-CE 3.94Å; P812-M918 HydrophobicContact CG-CE 3.55Å; P812-M918 HydrophobicContact CG-SD 3.94Å; V914-M918 WeakPolarHBondContact O-CG 3.31Å; V914-M918 PolarHBondContact O-N 3.12Å; V914-M918 VanDerWaalsContact O-N 3.08Å; L915-M918 PolarHBondContact O-N 3.27Å; I916-M918 VanDerWaalsContact C-N 3.33Å; I916-M918 PolarHBondContact O-N 2.96Å; M918-A921 PolarHBondContact O-N 2.92Å; M918-M922 PolarHBondContact O-N 3.3Å; M918-M946 HydrophobicContact CB-CE 4.12Å; M918-M946 HydrophobicContact CB-CG 4.49Å; M918-M946 WeakPolarHBondContact O-CE 3.47Å; M918-M946 HydrophobicContact SD-CB 4.01Å; M918-M946 HydrophobicContact SD-CG 3.96Å; M918-M950 HydrophobicContact CG-CG 4.1Å; M918-M950 HydrophobicContact CG-SD 4.02Å
919	L	94.6	Very high	91.9	Very high	28 Å²	28	14.2 Å²	14.2	15%	0.147	7%	0.072	C	C	.	.	H	α-helix	trans	-72.3	-33.8	177.3	-59.7	173.6	0	0	0	111.5	L915 I916 E917 A921 M922 N923 V986 I987	L915-L919 HydrophobicContact CG-CD1 4.43Å; L915-L919 VanDerWaalsContact O-CG 3.28Å; L915-L919 WeakPolarHBondContact O-CG 3.36Å; L915-L919 PolarHBondContact O-N 2.88Å; I916-L919 CarbonylContact O-C 3.58Å; I916-L919 PolarHBondContact O-N 2.87Å; I916-L919 VanDerWaalsContact O-N 3.07Å; E917-L919 VanDerWaalsContact C-N 3.33Å; E917-L919 PolarHBondContact O-N 2.9Å; L919-A921 VanDerWaalsContact C-N 3.35Å; L919-M922 HydrophobicContact CD2-SD 4.06Å; L919-M922 WeakPolarHBondContact O-CB 3.22Å; L919-M922 PolarHBondContact O-N 2.76Å; L919-N923 PolarHBondContact O-N 3.42Å; L919-N923 VanDerWaalsContact O-N 3.09Å; L919-V986 HydrophobicContact CB-CG1 3.66Å; L919-V986 HydrophobicContact CD1-CG1 4.06Å; L919-I987 HydrophobicContact CB-CD1 4.11Å; L919-I987 HydrophobicContact CB-CG1 3.99Å; L919-I987 HydrophobicContact CD1-CD1 4.36Å; L919-I987 HydrophobicContact CD2-CD1 3.69Å; L919-I987 HydrophobicContact CG-CD1 4.24Å
920	N	92.6	Very high	91.5	Very high	2 Å²	2	15 Å²	15	1%	0.011	8%	0.077	C	C	.	.	H	α-helix	trans	-69.5	-33.5	175.4	-164.7	28.1	0	0	0	111.7	Y772 S775 I916 E917 M922 N923 S924	Y772-N920 HydrophobicContact CE2-CB 4.49Å; S775-N920 PolarHBondContact OG-ND2 3.23Å; I916-N920 WeakPolarHBondContact O-CB 3.47Å; I916-N920 PolarHBondContact O-N 3.31Å; E917-N920 PolarHBondContact O-N 2.93Å; E917-N920 PolarHBondContact OE2-ND2 3.45Å; N920-M922 VanDerWaalsContact C-N 3.3Å; N920-M922 PolarHBondContact O-N 3.29Å; N920-N923 WeakPolarHBondContact O-CB 3.4Å; N920-N923 PolarHBondContact O-N 2.91Å; N920-S924 WeakPolarHBondContact O-CB 3.36Å; N920-S924 PolarHBondContact O-N 3.25Å; N920-S924 PolarHBondContact O-OG 2.88Å
921	A	93.2	Very high	91.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.7	-37.9	171.5	0	0	0	0	0	111.2	Y772 P812 E917 M918 L919 S924 L925 L942	Y772-A921 HydrophobicContact CD2-CB 4.37Å; Y772-A921 HydrophobicContact CE2-CB 3.94Å; P812-A921 HydrophobicContact CB-CB 3.77Å; E917-A921 WeakPolarHBondContact O-CB 3.28Å; E917-A921 PolarHBondContact O-N 2.92Å; M918-A921 PolarHBondContact O-N 2.92Å; L919-A921 VanDerWaalsContact C-N 3.35Å; A921-S924 CarbonylContact O-C 3.32Å; A921-S924 WeakPolarHBondContact O-CA 3.32Å; A921-S924 WeakPolarHBondContact O-CB 3.21Å; A921-S924 PolarHBondContact O-N 3.13Å; A921-S924 VanDerWaalsContact O-N 3.17Å; A921-L925 PolarHBondContact O-N 3.14Å; A921-L942 HydrophobicContact CB-CD1 4.14Å
922	M	92.5	Very high	90.7	Very high	32 Å²	32	22.3 Å²	22.3	16%	0.158	12%	0.12	C	C	.	.	H	α-helix	trans	-63.9	-46.5	171.9	-60.8	169.2	65.4	0	0	111.6	M918 L919 N920 S924 L925 L931 P936 M946	M918-M922 PolarHBondContact O-N 3.3Å; L919-M922 HydrophobicContact CD2-SD 4.06Å; L919-M922 WeakPolarHBondContact O-CB 3.22Å; L919-M922 PolarHBondContact O-N 2.76Å; N920-M922 VanDerWaalsContact C-N 3.3Å; N920-M922 PolarHBondContact O-N 3.29Å; M922-S924 PolarHBondContact O-N 3.44Å; M922-L925 WeakPolarHBondContact O-CB 3.38Å; M922-L925 PolarHBondContact O-N 3Å; M922-L931 HydrophobicContact CB-CD2 4.28Å; M922-L931 WeakPolarHBondContact O-CD2 3.27Å; M922-P936 HydrophobicContact CE-CB 3.91Å; M922-P936 HydrophobicContact CE-CG 3.28Å; M922-M946 HydrophobicContact CG-CE 3.56Å; M922-M946 HydrophobicContact CG-SD 3.71Å; M922-M946 HydrophobicContact SD-CE 3.62Å
923	N	90.8	Very high	90.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-56.9	-32.4	174.2	-76.6	-22.7	0	0	0	111.7	L919 N920 L925 L931 V986 D990 K994	L919-N923 PolarHBondContact O-N 3.42Å; L919-N923 VanDerWaalsContact O-N 3.09Å; N920-N923 WeakPolarHBondContact O-CB 3.4Å; N920-N923 PolarHBondContact O-N 2.91Å; N923-L925 PolarHBondContact O-N 2.68Å; N923-L931 WeakPolarHBondContact OD1-CD1 3.39Å; N923-V986 PolarHBondContact ND2-O 2.96Å; N923-D990 HydrophobicContact CB-CB 4.23Å; N923-D990 VanDerWaalsContact CB-OD2 3.28Å; N923-D990 WeakPolarHBondContact CB-OD2 3.43Å; N923-D990 VanDerWaalsContact ND2-CB 3.28Å; N923-D990 WeakPolarHBondContact ND2-CB 3.35Å; N923-K994 WeakPolarHBondContact O-CE 3.17Å; N923-K994 PolarHBondContact O-NZ 3.43Å
924	S	90.1	Very high	89.5	Confident	5 Å²	5	27.1 Å²	27.1	4%	0.035	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	6.7	176.9	-61	0	0	0	0	114.3	Q768 L816 N920 A921 M922 S926	Q768-S924 WeakPolarHBondContact CG-O 3.22Å; Q768-S924 VanDerWaalsContact NE2-CA 3.3Å; Q768-S924 PolarHBondContact NE2-O 3.4Å; L816-S924 WeakPolarHBondContact CD2-O 3.41Å; N920-S924 WeakPolarHBondContact O-CB 3.36Å; N920-S924 PolarHBondContact O-N 3.25Å; N920-S924 PolarHBondContact O-OG 2.88Å; A921-S924 CarbonylContact O-C 3.32Å; A921-S924 WeakPolarHBondContact O-CA 3.32Å; A921-S924 WeakPolarHBondContact O-CB 3.21Å; A921-S924 PolarHBondContact O-N 3.13Å; A921-S924 VanDerWaalsContact O-N 3.17Å; M922-S924 PolarHBondContact O-N 3.44Å; S924-S926 PolarHBondContact O-N 2.81Å
925	L	88	Confident	89.1	Confident	8 Å²	8	28.2 Å²	28.2	4%	0.042	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-30.4	168.9	-111.2	132.7	0	0	0	112.7	N819 A921 M922 N923 M934 V938 N939 L942	N819-L925 PolarHBondContact ND2-O 3.13Å; A921-L925 PolarHBondContact O-N 3.14Å; M922-L925 WeakPolarHBondContact O-CB 3.38Å; M922-L925 PolarHBondContact O-N 3Å; N923-L925 PolarHBondContact O-N 2.68Å; L925-M934 HydrophobicContact CD2-CG 4.22Å; L925-M934 HydrophobicContact CD2-SD 4.15Å; L925-V938 HydrophobicContact CD2-CB 4.2Å; L925-V938 HydrophobicContact CD2-CG1 4.42Å; L925-N939 HydrophobicContact CD2-CB 4.05Å; L925-L942 HydrophobicContact CD1-CD2 3.48Å; L925-L942 VanDerWaalsContact CD1-CD2 3.48Å; L925-L942 HydrophobicContact CG-CD2 3.91Å
926	S	83.7	Confident	88.6	Confident	14 Å²	14	28 Å²	28	10%	0.098	16%	0.162	C	C	.	.			trans	-146.4	131.2	177.1	179.9	0	0	0	0	111.1	S924 N928 Q929 K994	S924-S926 PolarHBondContact O-N 2.81Å; S926-N928 PolarHBondContact OG-N 3.38Å; S926-Q929 VanDerWaalsContact OG-CB 3.23Å; S926-Q929 WeakPolarHBondContact OG-CB 3.25Å; S926-Q929 WeakPolarHBondContact OG-CG 3.46Å; S926-Q929 PolarHBondContact OG-N 2.9Å; S926-K994 WeakPolarHBondContact O-CE 3.29Å; S926-K994 PolarHBondContact O-NZ 2.88Å
927	E	80.3	Confident	88.2	Confident	52 Å²	52	37 Å²	37	24%	0.243	20%	0.196	C	C	.	.	S	Bend		11.9	-105.4	129.3	167.1	-152.1	-118.3	0	0	116.1	R771 L842 R845	R771-E927 IonicContact CZ-OE1 2.64Å; R771-E927 IonicContact CZ-OE2 3.92Å; R771-E927 VanDerWaalsContact CZ-OE2 3.27Å; R771-E927 IonicContact NH1-OE1 2.57Å; R771-E927 IonicContact NH1-OE2 2.76Å; R771-E927 PolarHBondContact NH1-OE2 2.97Å; R771-E927 IonicContact NH2-OE1 2.7Å; R771-E927 PolarHBondContact NH2-OE1 3.36Å; R771-E927 IonicContact NH2-OE2 3.08Å; R771-E927 PolarHBondContact NH2-OE2 3.07Å; L842-E927 HydrophobicContact CD1-CG 4.46Å; L842-E927 WeakPolarHBondContact CD1-OE1 3.4Å; R845-E927 PolarHBondContact NH1-O 2.91Å
928	N	80.3	Confident	87.9	Confident	26 Å²	26	40 Å²	40	14%	0.139	21%	0.214	C	C	.	.	S	Bend	trans	-123.3	-2.4	-171.3	-64.2	-35	0	0	0	112.2	S926 R998 D1002	S926-N928 PolarHBondContact OG-N 3.38Å; N928-R998 HydrophobicContact CB-CG 4.14Å; N928-R998 WeakPolarHBondContact O-CD 3.48Å; N928-R998 WeakPolarHBondContact O-CG 3.47Å; N928-R998 PolarHBondContact O-NH1 3.43Å; N928-D1002 PolarHBondContact ND2-OD1 2.79Å; N928-D1002 PolarHBondContact ND2-OD2 2.99Å
929	Q	82.5	Confident	87.7	Confident	97 Å²	97	40 Å²	40	45%	0.453	22%	0.215	S	C	.	.			trans	-75.4	140.1	174.2	-62	-107.8	-10.7	0	0	110.4	S926 M934 K994	S926-Q929 VanDerWaalsContact OG-CB 3.23Å; S926-Q929 WeakPolarHBondContact OG-CB 3.25Å; S926-Q929 WeakPolarHBondContact OG-CG 3.46Å; S926-Q929 PolarHBondContact OG-N 2.9Å; Q929-M934 HydrophobicContact CB-CB 4.32Å; Q929-M934 HydrophobicContact CG-CE 4.43Å; Q929-K994 WeakPolarHBondContact O-CD 3.43Å; Q929-K994 PolarHBondContact O-NZ 2.91Å
930	S	87.4	Confident	87.6	Confident	17 Å²	17	44.7 Å²	44.7	12%	0.119	24%	0.238	C	C	.	.			trans	-69.8	148.9	176.1	166.9	0	0	0	0	109.5	V932 A933 M934 E991	S930-V932 PolarHBondContact O-N 3.04Å; S930-V932 VanDerWaalsContact O-N 3.15Å; S930-V932 WeakPolarHBondContact OG-CB 3.41Å; S930-V932 PolarHBondContact OG-N 2.76Å; S930-V932 VanDerWaalsContact OG-N 3.1Å; S930-A933 PolarHBondContact O-N 3.43Å; S930-M934 PolarHBondContact O-N 3.15Å; S930-E991 WeakPolarHBondContact CA-OE1 2.95Å; S930-E991 WeakPolarHBondContact CB-OE1 3.25Å; S930-E991 PolarHBondContact OG-OE1 3.2Å
931	L	88.4	Confident	87.6	Confident	24 Å²	24	51.9 Å²	51.9	13%	0.126	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-21.5	169.9	-80.2	168.6	0	0	0	112.6	M922 N923 M934 P935 P936 I987 E991	M922-L931 HydrophobicContact CB-CD2 4.28Å; M922-L931 WeakPolarHBondContact O-CD2 3.27Å; N923-L931 WeakPolarHBondContact OD1-CD1 3.39Å; L931-M934 CarbonylContact O-C 3.56Å; L931-P935 WeakPolarHBondContact O-CA 3.42Å; L931-P936 HydrophobicContact CD2-CG 4.22Å; L931-I987 HydrophobicContact CD1-CG2 3.83Å; L931-E991 PolarHBondContact N-OE1 2.78Å
932	V	87.4	Confident	87.7	Confident	130 Å²	130	51.9 Å²	51.9	79%	0.788	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-35.5	172.9	-174.9	0	0	0	0	111.3	S930	S930-V932 PolarHBondContact O-N 3.04Å; S930-V932 VanDerWaalsContact O-N 3.15Å; S930-V932 WeakPolarHBondContact OG-CB 3.41Å; S930-V932 PolarHBondContact OG-N 2.76Å; S930-V932 VanDerWaalsContact OG-N 3.1Å
933	A	83.9	Confident	87.8	Confident	65 Å²	65	52.9 Å²	52.9	54%	0.537	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-37.5	179.3	0	0	0	0	0	112.1	S930 P935	S930-A933 PolarHBondContact O-N 3.43Å; A933-P935 WeakPolarHBondContact O-CD 3.26Å
934	M	83.3	Confident	88	Confident	36 Å²	36	57.4 Å²	57.4	18%	0.177	30%	0.297	C	S	.	.	S	Bend	trans	-122.7	88.1	176.8	-165.1	178.2	-73.1	0	0	109.5	L925 Q929 S930 L931 V938	L925-M934 HydrophobicContact CD2-CG 4.22Å; L925-M934 HydrophobicContact CD2-SD 4.15Å; Q929-M934 HydrophobicContact CB-CB 4.32Å; Q929-M934 HydrophobicContact CG-CE 4.43Å; S930-M934 PolarHBondContact O-N 3.15Å; L931-M934 CarbonylContact O-C 3.56Å; M934-V938 HydrophobicContact CG-CB 4.37Å; M934-V938 HydrophobicContact CG-CG1 4.31Å; M934-V938 HydrophobicContact CG-CG2 4.16Å
935	P	88	Confident	88.3	Confident	24 Å²	24	57.6 Å²	57.6	16%	0.156	30%	0.299	C	S	.	.			trans	-65.8	158.9	-176.3	-22.6	32.9	0	0	0	113.9	L931 A933 W937 V938	L931-P935 WeakPolarHBondContact O-CA 3.42Å; A933-P935 WeakPolarHBondContact O-CD 3.26Å; P935-W937 HydrophobicContact CB-CD2 3.56Å; P935-W937 HydrophobicContact CB-CE3 3.95Å; P935-W937 HydrophobicContact CB-CG 4.18Å; P935-W937 HydrophobicContact CB-CH2 3.69Å; P935-W937 HydrophobicContact CB-CZ2 3.25Å; P935-W937 HydrophobicContact CB-CZ3 4.01Å; P935-W937 HydrophobicContact CG-CH2 4.27Å; P935-W937 HydrophobicContact CG-CZ2 3.56Å; P935-W937 PolarHBondContact O-N 2.99Å; P935-W937 VanDerWaalsContact O-N 3.17Å; P935-V938 VanDerWaalsContact O-CB 3.26Å; P935-V938 WeakPolarHBondContact O-CB 3.44Å; P935-V938 WeakPolarHBondContact O-CG2 3.22Å; P935-V938 PolarHBondContact O-N 3.3Å
936	P	86.3	Confident	88.6	Confident	24 Å²	24	58.7 Å²	58.7	16%	0.156	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-57.6	-33.7	-179.5	-22.9	32.2	0	0	0	114.4	M922 L931 V938 N939	M922-P936 HydrophobicContact CE-CB 3.91Å; M922-P936 HydrophobicContact CE-CG 3.28Å; L931-P936 HydrophobicContact CD2-CG 4.22Å; P936-V938 PolarHBondContact O-N 3.25Å; P936-N939 PolarHBondContact O-N 3.06Å
937	W	88.9	Confident	89.2	Confident	189 Å²	189	62.9 Å²	62.9	72%	0.716	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-73.3	-3.1	-179.4	53.7	79.7	0	0	0	114.2	P935 N939	P935-W937 HydrophobicContact CB-CD2 3.56Å; P935-W937 HydrophobicContact CB-CE3 3.95Å; P935-W937 HydrophobicContact CB-CG 4.18Å; P935-W937 HydrophobicContact CB-CH2 3.69Å; P935-W937 HydrophobicContact CB-CZ2 3.25Å; P935-W937 HydrophobicContact CB-CZ3 4.01Å; P935-W937 HydrophobicContact CG-CH2 4.27Å; P935-W937 HydrophobicContact CG-CZ2 3.56Å; P935-W937 PolarHBondContact O-N 2.99Å; P935-W937 VanDerWaalsContact O-N 3.17Å; W937-N939 PolarHBondContact O-N 2.83Å
938	V	88.1	Confident	90	Very high	64 Å²	64	63.3 Å²	63.3	39%	0.388	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-61.8	-36.2	169.7	172.1	0	0	0	0	110.4	P820 L925 M934 P935 P936	P820-V938 HydrophobicContact CG-CG1 3.53Å; L925-V938 HydrophobicContact CD2-CB 4.2Å; L925-V938 HydrophobicContact CD2-CG1 4.42Å; M934-V938 HydrophobicContact CG-CB 4.37Å; M934-V938 HydrophobicContact CG-CG1 4.31Å; M934-V938 HydrophobicContact CG-CG2 4.16Å; P935-V938 VanDerWaalsContact O-CB 3.26Å; P935-V938 WeakPolarHBondContact O-CB 3.44Å; P935-V938 WeakPolarHBondContact O-CG2 3.22Å; P935-V938 PolarHBondContact O-N 3.3Å; P936-V938 PolarHBondContact O-N 3.25Å
939	N	91.2	Very high	90.7	Very high	4 Å²	4	62.1 Å²	62.1	2%	0.021	32%	0.324	C	S	.	.			trans	-112.4	92.1	172.8	-173.4	-8.7	0	0	0	110.3	A815 N819 L925 P936 W937 W941 L942 V943	A815-N939 PolarHBondContact O-ND2 3.1Å; N819-N939 PolarHBondContact OD1-ND2 2.97Å; L925-N939 HydrophobicContact CD2-CB 4.05Å; P936-N939 PolarHBondContact O-N 3.06Å; W937-N939 PolarHBondContact O-N 2.83Å; N939-W941 PolarHBondContact O-N 3.1Å; N939-W941 WeakPolarHBondContact OD1-CB 3.07Å; N939-W941 PolarHBondContact OD1-N 3.33Å; N939-W941 VanDerWaalsContact OD1-N 3.1Å; N939-L942 HydrophobicContact CB-CB 3.98Å; N939-L942 WeakPolarHBondContact O-CB 3.2Å; N939-L942 PolarHBondContact O-N 3.45Å; N939-L942 VanDerWaalsContact O-N 3.1Å; N939-L942 PolarHBondContact OD1-N 2.6Å; N939-L942 VanDerWaalsContact OD1-N 3.17Å; N939-V943 PolarHBondContact O-N 2.77Å
940	I	92.6	Very high	91.4	Very high	126 Å²	126	59.2 Å²	59.2	65%	0.646	31%	0.311	S	S	*	.	H	α-helix	trans	-60.7	-32.3	178.3	-64.1	173.6	0	0	0	111.4	L942 V943 L944	I940-L942 VanDerWaalsContact C-N 3.29Å; I940-L942 PolarHBondContact O-N 2.75Å; I940-V943 PolarHBondContact O-N 2.92Å; I940-L944 PolarHBondContact O-N 3.2Å
941	W	93.5	Very high	91.8	Very high	152 Å²	152	61.6 Å²	61.6	58%	0.576	33%	0.328	S	S	*	.	H	α-helix	trans	-65.4	-35	177.4	-61.3	106	0	0	0	111.9	A815 F818 N939 L944 A945	A815-W941 HydrophobicContact CB-CB 4.33Å; F818-W941 HydrophobicContact CB-CB 4.48Å; F818-W941 HydrophobicContact CB-CG 4.45Å; F818-W941 HydrophobicContact CD2-CB 4.44Å; F818-W941 HydrophobicContact CD2-CG 4.49Å; F818-W941 HydrophobicContact CG-CG 4.36Å; N939-W941 PolarHBondContact O-N 3.1Å; N939-W941 WeakPolarHBondContact OD1-CB 3.07Å; N939-W941 PolarHBondContact OD1-N 3.33Å; N939-W941 VanDerWaalsContact OD1-N 3.1Å; W941-L944 HydrophobicContact CE3-CD2 4.3Å; W941-L944 HydrophobicContact CZ3-CD2 4.44Å; W941-L944 PolarHBondContact O-N 3.23Å; W941-A945 VanDerWaalsContact O-CB 3.27Å; W941-A945 WeakPolarHBondContact O-CB 3.37Å; W941-A945 PolarHBondContact O-N 3.36Å
942	L	94.6	Very high	92.2	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-65.4	-46.3	175.4	-176.7	65	0	0	0	111.2	P812 A815 L816 A921 L925 N939 I940 L944 A945 M946	P812-L942 HydrophobicContact CB-CD1 4.01Å; A815-L942 HydrophobicContact CB-CB 4.26Å; A815-L942 HydrophobicContact CB-CD1 4.12Å; L816-L942 HydrophobicContact CD2-CD1 4.16Å; L816-L942 HydrophobicContact CD2-CD2 4.04Å; L816-L942 HydrophobicContact CG-CD1 4.15Å; A921-L942 HydrophobicContact CB-CD1 4.14Å; L925-L942 HydrophobicContact CD1-CD2 3.48Å; L925-L942 VanDerWaalsContact CD1-CD2 3.48Å; L925-L942 HydrophobicContact CG-CD2 3.91Å; N939-L942 HydrophobicContact CB-CB 3.98Å; N939-L942 WeakPolarHBondContact O-CB 3.2Å; N939-L942 PolarHBondContact O-N 3.45Å; N939-L942 VanDerWaalsContact O-N 3.1Å; N939-L942 PolarHBondContact OD1-N 2.6Å; N939-L942 VanDerWaalsContact OD1-N 3.17Å; I940-L942 VanDerWaalsContact C-N 3.29Å; I940-L942 PolarHBondContact O-N 2.75Å; L942-L944 VanDerWaalsContact C-N 3.31Å; L942-L944 PolarHBondContact O-N 3.19Å; L942-A945 PolarHBondContact O-N 3.49Å; L942-M946 HydrophobicContact CG-SD 4.15Å; L942-M946 VanDerWaalsContact O-CG 3.28Å; L942-M946 WeakPolarHBondContact O-CG 3.48Å; L942-M946 PolarHBondContact O-N 3.38Å
943	V	94.3	Very high	92.6	Very high	53 Å²	53	56.4 Å²	56.4	32%	0.321	30%	0.296	S	S	.	.	H	α-helix	trans	-60	-43.9	177	179.8	0	0	0	0	110.8	N939 I940 M946 I947	N939-V943 PolarHBondContact O-N 2.77Å; I940-V943 PolarHBondContact O-N 2.92Å; V943-M946 PolarHBondContact O-N 2.74Å; V943-I947 HydrophobicContact CG1-CD1 4.07Å; V943-I947 VanDerWaalsContact O-CG1 3.31Å; V943-I947 WeakPolarHBondContact O-CG1 3.35Å; V943-I947 PolarHBondContact O-N 2.8Å
944	L	95.5	Very high	93.1	Very high	94 Å²	94	57.3 Å²	57.3	49%	0.492	29%	0.288	S	S	.	.	H	α-helix	trans	-61.8	-46.7	175.8	-168.9	97.3	0	0	0	111.4	I940 W941 L942 M946 I947 V948	I940-L944 PolarHBondContact O-N 3.2Å; W941-L944 HydrophobicContact CE3-CD2 4.3Å; W941-L944 HydrophobicContact CZ3-CD2 4.44Å; W941-L944 PolarHBondContact O-N 3.23Å; L942-L944 VanDerWaalsContact C-N 3.31Å; L942-L944 PolarHBondContact O-N 3.19Å; L944-M946 VanDerWaalsContact C-N 3.32Å; L944-M946 PolarHBondContact O-N 3.04Å; L944-I947 PolarHBondContact O-N 2.95Å; L944-V948 WeakPolarHBondContact O-CG2 3.33Å; L944-V948 PolarHBondContact O-N 2.95Å
945	A	95.4	Very high	93.7	Very high	10 Å²	10	59.7 Å²	59.7	8%	0.083	30%	0.301	C	S	.	.	H	α-helix	trans	-61.5	-40	179.7	0	0	0	0	0	112	L811 A815 W941 L942 V948 S949	L811-A945 HydrophobicContact CB-CB 4.35Å; A815-A945 HydrophobicContact CB-CB 3.66Å; W941-A945 VanDerWaalsContact O-CB 3.27Å; W941-A945 WeakPolarHBondContact O-CB 3.37Å; W941-A945 PolarHBondContact O-N 3.36Å; L942-A945 PolarHBondContact O-N 3.49Å; A945-V948 PolarHBondContact O-N 3.12Å; A945-S949 WeakPolarHBondContact O-CB 3.44Å; A945-S949 PolarHBondContact O-N 2.75Å; A945-S949 PolarHBondContact O-OG 3.09Å
946	M	95.1	Very high	94	Very high	30 Å²	30	58.6 Å²	58.6	15%	0.148	29%	0.293	C	S	.	.	H	α-helix	trans	-63.9	-43.1	174.5	-68.5	165.7	62.9	0	0	112	M918 M922 L942 V943 L944 V948 S949 M950	M918-M946 HydrophobicContact CB-CE 4.12Å; M918-M946 HydrophobicContact CB-CG 4.49Å; M918-M946 WeakPolarHBondContact O-CE 3.47Å; M918-M946 HydrophobicContact SD-CB 4.01Å; M918-M946 HydrophobicContact SD-CG 3.96Å; M922-M946 HydrophobicContact CG-CE 3.56Å; M922-M946 HydrophobicContact CG-SD 3.71Å; M922-M946 HydrophobicContact SD-CE 3.62Å; L942-M946 HydrophobicContact CG-SD 4.15Å; L942-M946 VanDerWaalsContact O-CG 3.28Å; L942-M946 WeakPolarHBondContact O-CG 3.48Å; L942-M946 PolarHBondContact O-N 3.38Å; V943-M946 PolarHBondContact O-N 2.74Å; L944-M946 VanDerWaalsContact C-N 3.32Å; L944-M946 PolarHBondContact O-N 3.04Å; M946-V948 VanDerWaalsContact C-N 3.34Å; M946-V948 PolarHBondContact O-N 2.65Å; M946-S949 PolarHBondContact O-N 3.07Å; M946-M950 WeakPolarHBondContact O-CB 3.45Å; M946-M950 WeakPolarHBondContact O-CG 3.4Å; M946-M950 PolarHBondContact O-N 3.44Å
947	I	96	Very high	94.4	Very high	102 Å²	102	57.6 Å²	57.6	52%	0.523	29%	0.287	S	S	.	.	H	α-helix	trans	-61.6	-45	176.6	-68.9	165.3	0	0	0	110.2	V943 L944 S951	V943-I947 HydrophobicContact CG1-CD1 4.07Å; V943-I947 VanDerWaalsContact O-CG1 3.31Å; V943-I947 WeakPolarHBondContact O-CG1 3.35Å; V943-I947 PolarHBondContact O-N 2.8Å; L944-I947 PolarHBondContact O-N 2.95Å; I947-S951 WeakPolarHBondContact O-CB 3.49Å; I947-S951 PolarHBondContact O-N 3.39Å; I947-S951 PolarHBondContact O-OG 2.83Å
948	V	96.9	Very high	94.5	Very high	62 Å²	62	54.9 Å²	54.9	38%	0.376	28%	0.282	S	S	.	.	H	α-helix	trans	-64.3	-43.8	178.6	174.5	0	0	0	0	110.7	L811 L944 A945 M946 S951 L952	L811-V948 HydrophobicContact CD1-CB 4.37Å; L811-V948 HydrophobicContact CD1-CG1 3.71Å; L944-V948 WeakPolarHBondContact O-CG2 3.33Å; L944-V948 PolarHBondContact O-N 2.95Å; A945-V948 PolarHBondContact O-N 3.12Å; M946-V948 VanDerWaalsContact C-N 3.34Å; M946-V948 PolarHBondContact O-N 2.65Å; V948-S951 WeakPolarHBondContact O-CB 3.29Å; V948-S951 PolarHBondContact O-N 3.14Å; V948-S951 VanDerWaalsContact O-N 3.13Å; V948-L952 HydrophobicContact CG1-CD1 4.07Å; V948-L952 HydrophobicContact CG1-CG 4.41Å; V948-L952 WeakPolarHBondContact O-CG 3.4Å; V948-L952 PolarHBondContact O-N 3.48Å
949	S	96.2	Very high	94.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.7	-44.9	179.9	-54.8	0	0	0	0	111.8	T808 A945 M946 S951 L952 H953	T808-S949 PolarHBondContact O-OG 3.33Å; A945-S949 WeakPolarHBondContact O-CB 3.44Å; A945-S949 PolarHBondContact O-N 2.75Å; A945-S949 PolarHBondContact O-OG 3.09Å; M946-S949 PolarHBondContact O-N 3.07Å; S949-S951 VanDerWaalsContact C-N 3.31Å; S949-S951 PolarHBondContact O-N 3.47Å; S949-L952 PolarHBondContact O-N 2.91Å; S949-H953 PolarHBondContact O-N 3.37Å
950	M	96	Very high	94.7	Very high	36 Å²	36	60.7 Å²	60.7	18%	0.177	31%	0.308	C	S	.	.	H	α-helix	trans	-62.4	-38.6	172	-74.4	-59.5	-55.9	0	0	112.1	V914 M918 M946 L952 H953 F954 W976	V914-M950 HydrophobicContact CG1-SD 3.92Å; M918-M950 HydrophobicContact CG-CG 4.1Å; M918-M950 HydrophobicContact CG-SD 4.02Å; M946-M950 WeakPolarHBondContact O-CB 3.45Å; M946-M950 WeakPolarHBondContact O-CG 3.4Å; M946-M950 PolarHBondContact O-N 3.44Å; M950-L952 VanDerWaalsContact C-N 3.34Å; M950-H953 WeakPolarHBondContact O-CB 3.49Å; M950-H953 PolarHBondContact O-N 3.09Å; M950-F954 HydrophobicContact CE-CE2 3.89Å; M950-F954 HydrophobicContact CE-CZ 4.21Å; M950-F954 WeakPolarHBondContact O-CD2 3.48Å; M950-F954 PolarHBondContact O-N 3.15Å; M950-W976 HydrophobicContact CE-CH2 4.2Å; M950-W976 HydrophobicContact CE-CZ3 4.44Å
951	S	96.5	Very high	94.6	Very high	68 Å²	68	61.8 Å²	61.8	48%	0.476	31%	0.309	S	S	.	.	H	α-helix	trans	-65.6	-38.8	177.5	-55.8	0	0	0	0	111.9	I947 V948 S949 H953 F954 L955	I947-S951 WeakPolarHBondContact O-CB 3.49Å; I947-S951 PolarHBondContact O-N 3.39Å; I947-S951 PolarHBondContact O-OG 2.83Å; V948-S951 WeakPolarHBondContact O-CB 3.29Å; V948-S951 PolarHBondContact O-N 3.14Å; V948-S951 VanDerWaalsContact O-N 3.13Å; S949-S951 VanDerWaalsContact C-N 3.31Å; S949-S951 PolarHBondContact O-N 3.47Å; S951-H953 VanDerWaalsContact C-N 3.34Å; S951-F954 PolarHBondContact O-N 3.39Å; S951-L955 PolarHBondContact O-N 3.16Å
952	L	95.9	Very high	94.4	Very high	44 Å²	44	56.5 Å²	56.5	23%	0.23	29%	0.292	C	S	.	.	H	α-helix	trans	-67	-36.1	173.7	-72	171.5	0	0	0	111.5	V807 L811 V948 S949 M950 L955 I956	V807-L952 HydrophobicContact CG1-CD1 3.73Å; L811-L952 HydrophobicContact CD1-CD1 3.87Å; V948-L952 HydrophobicContact CG1-CD1 4.07Å; V948-L952 HydrophobicContact CG1-CG 4.41Å; V948-L952 WeakPolarHBondContact O-CG 3.4Å; V948-L952 PolarHBondContact O-N 3.48Å; S949-L952 PolarHBondContact O-N 2.91Å; M950-L952 VanDerWaalsContact C-N 3.34Å; L952-L955 HydrophobicContact CD2-CD2 4.16Å; L952-L955 WeakPolarHBondContact O-CB 3.42Å; L952-L955 PolarHBondContact O-N 3.19Å; L952-I956 PolarHBondContact O-N 3.38Å
953	H	96.1	Very high	94.1	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-62.4	-44.2	172.7	-171.3	61.6	0	0	0	111.9	S911 V914 S949 M950 S951 L955 I956 L957 W976	S911-H953 PolarHBondContact OG-NE2 3.04Å; V914-H953 HydrophobicContact CG1-CB 4.13Å; S949-H953 PolarHBondContact O-N 3.37Å; M950-H953 WeakPolarHBondContact O-CB 3.49Å; M950-H953 PolarHBondContact O-N 3.09Å; S951-H953 VanDerWaalsContact C-N 3.34Å; H953-L955 VanDerWaalsContact C-N 3.29Å; H953-L955 PolarHBondContact O-N 2.68Å; H953-I956 WeakPolarHBondContact O-CG1 2.91Å; H953-I956 PolarHBondContact O-N 2.76Å; H953-L957 WeakPolarHBondContact O-CG 3.27Å; H953-L957 PolarHBondContact O-N 2.96Å; H953-W976 AromaticContact CD2-CH2 3.91Å
954	F	95.5	Very high	93.8	Very high	84 Å²	84	61.4 Å²	61.4	37%	0.368	31%	0.311	S	S	.	.	H	α-helix	trans	-63.7	-35.7	172.2	-71.7	-65.6	0	0	0	112.4	M950 S951 L957 E958 W976	M950-F954 HydrophobicContact CE-CE2 3.89Å; M950-F954 HydrophobicContact CE-CZ 4.21Å; M950-F954 WeakPolarHBondContact O-CD2 3.48Å; M950-F954 PolarHBondContact O-N 3.15Å; S951-F954 PolarHBondContact O-N 3.39Å; F954-L957 PolarHBondContact O-N 2.95Å; F954-E958 WeakPolarHBondContact O-CB 3.47Å; F954-E958 WeakPolarHBondContact O-CG 3.47Å; F954-E958 PolarHBondContact O-N 3.44Å; F954-W976 HydrophobicContact CD1-CZ2 4.22Å; F954-W976 AromaticContact CE1-CE2 3.77Å; F954-W976 HydrophobicContact CE1-CH2 4.15Å; F954-W976 AromaticContact CE1-CZ2 3.39Å; F954-W976 HydrophobicContact CE1-CZ2 3.39Å; F954-W976 AromaticContact CE1-NE1 3.99Å; F954-W976 HydrophobicContact CZ-CH2 4.14Å; F954-W976 AromaticContact CZ-CZ2 3.82Å; F954-W976 HydrophobicContact CZ-CZ2 3.82Å
955	L	95	Very high	93.3	Very high	86 Å²	86	59.2 Å²	59.2	45%	0.45	30%	0.301	S	S	.	.	H	α-helix	trans	-61.6	-45.4	177.3	-174.5	72.8	0	0	0	112.1	S951 L952 H953 L957 V959 L962	S951-L955 PolarHBondContact O-N 3.16Å; L952-L955 HydrophobicContact CD2-CD2 4.16Å; L952-L955 WeakPolarHBondContact O-CB 3.42Å; L952-L955 PolarHBondContact O-N 3.19Å; H953-L955 VanDerWaalsContact C-N 3.29Å; H953-L955 PolarHBondContact O-N 2.68Å; L955-L957 PolarHBondContact O-N 3.23Å; L955-V959 HydrophobicContact CD1-CG2 3.67Å; L955-V959 HydrophobicContact CG-CG2 4.16Å; L955-V959 WeakPolarHBondContact O-CB 3.45Å; L955-V959 VanDerWaalsContact O-CG2 3.27Å; L955-V959 WeakPolarHBondContact O-CG2 3.36Å; L955-V959 PolarHBondContact O-N 3.43Å; L955-V959 VanDerWaalsContact O-N 3.09Å; L955-L962 HydrophobicContact CG-CD1 4.33Å
956	I	94.4	Very high	93	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-68.7	-24.9	179.1	63.4	169	0	0	0	112.6	W803 L910 L952 H953 L962 S963 F966 I968	W803-I956 HydrophobicContact CZ2-CG2 3.95Å; L910-I956 HydrophobicContact CD2-CD1 4.31Å; L952-I956 PolarHBondContact O-N 3.38Å; H953-I956 WeakPolarHBondContact O-CG1 2.91Å; H953-I956 PolarHBondContact O-N 2.76Å; I956-L962 HydrophobicContact CB-CB 4.36Å; I956-L962 HydrophobicContact CG2-CB 4.47Å; I956-L962 HydrophobicContact CG2-CD1 4.19Å; I956-S963 WeakPolarHBondContact O-CA 3.17Å; I956-S963 PolarHBondContact O-N 3.28Å; I956-F966 HydrophobicContact CB-CD2 4.14Å; I956-F966 HydrophobicContact CB-CE2 4.36Å; I956-F966 HydrophobicContact CG2-CD2 4.18Å; I956-F966 HydrophobicContact CG2-CE2 3.89Å; I956-I968 HydrophobicContact CB-CD1 4.09Å; I956-I968 HydrophobicContact CD1-CD1 3.71Å; I956-I968 HydrophobicContact CG1-CD1 3.76Å
957	L	93.8	Very high	92.7	Very high	2 Å²	2	62.3 Å²	62.3	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-77.6	-43.2	176.6	-70.8	172	0	0	0	112.8	T907 H953 F954 L955 I968 P970 W976	T907-L957 HydrophobicContact CG2-CD2 3.37Å; H953-L957 WeakPolarHBondContact O-CG 3.27Å; H953-L957 PolarHBondContact O-N 2.96Å; F954-L957 PolarHBondContact O-N 2.95Å; L955-L957 PolarHBondContact O-N 3.23Å; L957-I968 HydrophobicContact CD2-CB 4.13Å; L957-I968 HydrophobicContact CD2-CD1 3.88Å; L957-I968 HydrophobicContact CD2-CG1 4.16Å; L957-I968 HydrophobicContact CG-CD1 4.46Å; L957-P970 WeakPolarHBondContact O-CG 3.19Å; L957-W976 HydrophobicContact CD1-CZ2 4.14Å
958	E	92.7	Very high	92.5	Very high	133 Å²	133	57.6 Å²	57.6	62%	0.621	29%	0.289	S	S	*	.	H	α-helix	trans	-87.5	-25.6	-171.6	-64	-64.4	156.2	0	0	113.3	F954 E960	F954-E958 WeakPolarHBondContact O-CB 3.47Å; F954-E958 WeakPolarHBondContact O-CG 3.47Å; F954-E958 PolarHBondContact O-N 3.44Å; E958-E960 PolarHBondContact O-N 3.06Å
959	V	93.6	Very high	92.3	Very high	59 Å²	59	56.4 Å²	56.4	36%	0.358	28%	0.282	S	S	.	.	S	Bend	trans	-85.5	111.6	179.7	178	0	0	0	0	110.2	L955 F961 L962 S963	L955-V959 HydrophobicContact CD1-CG2 3.67Å; L955-V959 HydrophobicContact CG-CG2 4.16Å; L955-V959 WeakPolarHBondContact O-CB 3.45Å; L955-V959 VanDerWaalsContact O-CG2 3.27Å; L955-V959 WeakPolarHBondContact O-CG2 3.36Å; L955-V959 PolarHBondContact O-N 3.43Å; L955-V959 VanDerWaalsContact O-N 3.09Å; V959-F961 HydrophobicContact CG1-CB 4.5Å; V959-F961 PolarHBondContact O-N 2.89Å; V959-F961 VanDerWaalsContact O-N 3.1Å; V959-L962 HydrophobicContact CB-CB 4.32Å; V959-L962 HydrophobicContact CB-CD1 4.02Å; V959-L962 HydrophobicContact CB-CG 4.24Å; V959-L962 HydrophobicContact CG1-CB 4.45Å; V959-L962 HydrophobicContact CG1-CD1 4.15Å; V959-L962 HydrophobicContact CG1-CG 4.05Å; V959-L962 PolarHBondContact O-N 2.95Å; V959-S963 PolarHBondContact O-N 3.03Å
960	E	89.3	Confident	92.2	Very high	130 Å²	130	59.2 Å²	59.2	61%	0.607	30%	0.301	S	S	*	.	H	α-helix	trans	-54.3	-35.4	-172.5	-163.3	-171.2	157.6	0	0	114.5	E958 S963 K964	E958-E960 PolarHBondContact O-N 3.06Å; E960-S963 WeakPolarHBondContact CA-OG 3.49Å; E960-S963 PolarHBondContact O-OG 2.95Å; E960-S963 VanDerWaalsContact O-OG 3.1Å; E960-K964 WeakPolarHBondContact O-CG 3.42Å; E960-K964 PolarHBondContact O-N 3.04Å; E960-K964 IonicContact OE1-NZ 3.27Å; E960-K964 PolarHBondContact OE1-NZ 3.45Å
961	F	89.8	Confident	92.1	Very high	150 Å²	150	58.4 Å²	58.4	66%	0.658	30%	0.297	S	S	*	.	H	α-helix	trans	-66	-47	176.4	173.3	-102.7	0	0	0	111.7	V959 V965	V959-F961 HydrophobicContact CG1-CB 4.5Å; V959-F961 PolarHBondContact O-N 2.89Å; V959-F961 VanDerWaalsContact O-N 3.1Å; F961-V965 HydrophobicContact CE1-CG2 4.24Å; F961-V965 HydrophobicContact CE2-CG2 4.24Å; F961-V965 HydrophobicContact CZ-CG2 4.01Å; F961-V965 WeakPolarHBondContact O-CG2 3.31Å; F961-V965 PolarHBondContact O-N 3.13Å
962	L	88.9	Confident	92	Very high	41 Å²	41	57.2 Å²	57.2	22%	0.215	29%	0.288	C	S	.	.	H	α-helix	trans	-68.7	-41.6	-179.1	-63.5	175.8	0	0	0	110.4	L955 I956 V959 K964 V965 F966	L955-L962 HydrophobicContact CG-CD1 4.33Å; I956-L962 HydrophobicContact CB-CB 4.36Å; I956-L962 HydrophobicContact CG2-CB 4.47Å; I956-L962 HydrophobicContact CG2-CD1 4.19Å; V959-L962 HydrophobicContact CB-CB 4.32Å; V959-L962 HydrophobicContact CB-CD1 4.02Å; V959-L962 HydrophobicContact CB-CG 4.24Å; V959-L962 HydrophobicContact CG1-CB 4.45Å; V959-L962 HydrophobicContact CG1-CD1 4.15Å; V959-L962 HydrophobicContact CG1-CG 4.05Å; V959-L962 PolarHBondContact O-N 2.95Å; L962-K964 VanDerWaalsContact C-N 3.28Å; L962-K964 PolarHBondContact O-N 2.79Å; L962-V965 PolarHBondContact O-N 3.12Å; L962-V965 VanDerWaalsContact O-N 3.11Å; L962-F966 HydrophobicContact CB-CD2 4.32Å; L962-F966 HydrophobicContact CB-CE2 4.48Å; L962-F966 HydrophobicContact CD2-CE2 4.39Å; L962-F966 WeakPolarHBondContact O-CD2 3.28Å; L962-F966 PolarHBondContact O-N 2.76Å
963	S	89.2	Confident	91.8	Very high	17 Å²	17	62.6 Å²	62.6	12%	0.119	32%	0.316	C	S	.	.	H	α-helix	trans	-62.4	-35.2	-179.3	72.8	0	0	0	0	112.5	I956 V959 E960 Q967 I968	I956-S963 WeakPolarHBondContact O-CA 3.17Å; I956-S963 PolarHBondContact O-N 3.28Å; V959-S963 PolarHBondContact O-N 3.03Å; E960-S963 WeakPolarHBondContact CA-OG 3.49Å; E960-S963 PolarHBondContact O-OG 2.95Å; E960-S963 VanDerWaalsContact O-OG 3.1Å; S963-Q967 WeakPolarHBondContact O-CA 3.37Å; S963-Q967 PolarHBondContact O-N 3.04Å; S963-I968 WeakPolarHBondContact CB-O 3.43Å; S963-I968 PolarHBondContact O-N 3.07Å
964	K	87.2	Confident	91.7	Very high	140 Å²	140	67.7 Å²	67.7	61%	0.609	34%	0.34	S	S	*	.	H	α-helix	trans	-66.8	-46.4	170.4	-76.6	176.4	-174	160.4	0	112.8	E960 L962 F966 Q967	E960-K964 WeakPolarHBondContact O-CG 3.42Å; E960-K964 PolarHBondContact O-N 3.04Å; E960-K964 IonicContact OE1-NZ 3.27Å; E960-K964 PolarHBondContact OE1-NZ 3.45Å; L962-K964 VanDerWaalsContact C-N 3.28Å; L962-K964 PolarHBondContact O-N 2.79Å; K964-F966 VanDerWaalsContact C-N 3.3Å; K964-F966 PolarHBondContact O-N 3.44Å; K964-Q967 PolarHBondContact O-N 3.29Å
965	V	86.8	Confident	91.7	Very high	47 Å²	47	63.7 Å²	63.7	29%	0.285	32%	0.323	S	S	.	.	H	α-helix	trans	-60.7	-40.9	179.5	171.2	0	0	0	0	111.6	V89 F961 L962	V89-V965 HydrophobicContact CG1-CG1 4.32Å; F961-V965 HydrophobicContact CE1-CG2 4.24Å; F961-V965 HydrophobicContact CE2-CG2 4.24Å; F961-V965 HydrophobicContact CZ-CG2 4.01Å; F961-V965 WeakPolarHBondContact O-CG2 3.31Å; F961-V965 PolarHBondContact O-N 3.13Å; L962-V965 PolarHBondContact O-N 3.12Å; L962-V965 VanDerWaalsContact O-N 3.11Å
966	F	88.9	Confident	91.7	Very high	14 Å²	14	61.3 Å²	61.3	6%	0.061	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-1.1	179.8	-70.1	-70.4	0	0	0	114	V799 Q800 W803 I956 L962 K964 I968	V799-F966 HydrophobicContact CG1-CD1 3.82Å; V799-F966 HydrophobicContact CG1-CE1 3.78Å; V799-F966 WeakPolarHBondContact O-CE1 3.23Å; Q800-F966 HydrophobicContact CG-CD1 4.4Å; Q800-F966 PolarHBondContact NE2-O 2.57Å; W803-F966 HydrophobicContact CB-CE1 3.62Å; W803-F966 HydrophobicContact CB-CZ 4.03Å; W803-F966 HydrophobicContact CD2-CE1 4.29Å; W803-F966 AromaticContact CD2-CZ 3.76Å; W803-F966 HydrophobicContact CD2-CZ 3.76Å; W803-F966 HydrophobicContact CE3-CE1 4.42Å; W803-F966 AromaticContact CE3-CZ 3.68Å; W803-F966 HydrophobicContact CE3-CZ 3.68Å; W803-F966 AromaticContact CG-CE1 3.97Å; W803-F966 HydrophobicContact CG-CE1 3.97Å; W803-F966 AromaticContact CG-CZ 3.92Å; W803-F966 HydrophobicContact CG-CZ 3.92Å; W803-F966 HydrophobicContact CZ3-CZ 4.4Å; I956-F966 HydrophobicContact CB-CD2 4.14Å; I956-F966 HydrophobicContact CB-CE2 4.36Å; I956-F966 HydrophobicContact CG2-CD2 4.18Å; I956-F966 HydrophobicContact CG2-CE2 3.89Å; L962-F966 HydrophobicContact CB-CD2 4.32Å; L962-F966 HydrophobicContact CB-CE2 4.48Å; L962-F966 HydrophobicContact CD2-CE2 4.39Å; L962-F966 WeakPolarHBondContact O-CD2 3.28Å; L962-F966 PolarHBondContact O-N 2.76Å; K964-F966 VanDerWaalsContact C-N 3.3Å; K964-F966 PolarHBondContact O-N 3.44Å; F966-I968 HydrophobicContact CB-CD1 3.72Å; F966-I968 HydrophobicContact CB-CG1 3.82Å; F966-I968 HydrophobicContact CG-CD1 4.46Å; F966-I968 PolarHBondContact O-N 3.05Å
967	Q	88.3	Confident	91.8	Very high	91 Å²	91	67.2 Å²	67.2	43%	0.425	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	47.4	-174.8	-56.9	-174.1	3.6	0	0	113.8	I797 P903 M906 S963 K964	I797-Q967 HydrophobicContact CD1-CB 4.14Å; I797-Q967 HydrophobicContact CD1-CG 4.09Å; P903-Q967 WeakPolarHBondContact CB-O 3.2Å; M906-Q967 HydrophobicContact CE-CB 3.92Å; S963-Q967 WeakPolarHBondContact O-CA 3.37Å; S963-Q967 PolarHBondContact O-N 3.04Å; K964-Q967 PolarHBondContact O-N 3.29Å
968	I	92.1	Very high	91.9	Very high	3 Å²	3	69.3 Å²	69.3	2%	0.015	34%	0.344	C	S	.	.			trans	-126.5	163.2	-178.6	56.3	-177	0	0	0	112.2	T907 L910 I956 L957 S963 F966	T907-I968 HydrophobicContact CG2-CB 4.3Å; T907-I968 HydrophobicContact CG2-CG2 4.49Å; T907-I968 VanDerWaalsContact OG1-CA 3.31Å; T907-I968 WeakPolarHBondContact OG1-CA 3.37Å; T907-I968 WeakPolarHBondContact OG1-CB 3.46Å; L910-I968 HydrophobicContact CD2-CD1 4.29Å; L910-I968 HydrophobicContact CD2-CG2 3.94Å; I956-I968 HydrophobicContact CB-CD1 4.09Å; I956-I968 HydrophobicContact CD1-CD1 3.71Å; I956-I968 HydrophobicContact CG1-CD1 3.76Å; L957-I968 HydrophobicContact CD2-CB 4.13Å; L957-I968 HydrophobicContact CD2-CD1 3.88Å; L957-I968 HydrophobicContact CD2-CG1 4.16Å; L957-I968 HydrophobicContact CG-CD1 4.46Å; S963-I968 WeakPolarHBondContact CB-O 3.43Å; S963-I968 PolarHBondContact O-N 3.07Å; F966-I968 HydrophobicContact CB-CD1 3.72Å; F966-I968 HydrophobicContact CB-CG1 3.82Å; F966-I968 HydrophobicContact CG-CD1 4.46Å; F966-I968 PolarHBondContact O-N 3.05Å
969	T	93.2	Very high	92	Very high	37 Å²	37	63 Å²	63	23%	0.227	31%	0.314	C	S	.	.			trans	-142.7	148.8	179.4	56.3	0	0	0	0	112	P903 K904 T907 L971	P903-T969 HydrophobicContact CB-CG2 3.85Å; P903-T969 HydrophobicContact CG-CG2 3.33Å; K904-T969 VanDerWaalsContact CG-OG1 3.3Å; K904-T969 WeakPolarHBondContact CG-OG1 3.28Å; T907-T969 VanDerWaalsContact CG2-O 3.31Å; T907-T969 WeakPolarHBondContact CG2-O 3.43Å; T907-T969 PolarHBondContact OG1-N 3.3Å; T907-T969 PolarHBondContact OG1-O 2.87Å; T969-L971 PolarHBondContact O-N 3.41Å
970	P	93.9	Very high	92.2	Very high	60 Å²	60	64.4 Å²	64.4	39%	0.39	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-51.7	136.9	177.7	-25.5	32.4	0	0	0	114	L957	L957-P970 WeakPolarHBondContact O-CG 3.19Å
971	L	93.5	Very high	92.5	Very high	19 Å²	19	64.1 Å²	64.1	10%	0.099	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-92.3	142.9	176.7	-64.7	179.7	0	0	0	111.5	T907 M908 S911 T969 E975 W976 V979	T907-L971 HydrophobicContact CG2-CD1 4.11Å; T907-L971 HydrophobicContact CG2-CD2 3.88Å; T907-L971 HydrophobicContact CG2-CG 3.77Å; M908-L971 HydrophobicContact CG-CD2 4.15Å; M908-L971 HydrophobicContact SD-CD1 3.96Å; M908-L971 HydrophobicContact SD-CD2 3.75Å; M908-L971 HydrophobicContact SD-CG 4.49Å; S911-L971 WeakPolarHBondContact OG-CD1 3.44Å; T969-L971 PolarHBondContact O-N 3.41Å; L971-E975 HydrophobicContact CB-CB 4.14Å; L971-E975 HydrophobicContact CD2-CB 4.23Å; L971-W976 HydrophobicContact CB-CG 4.45Å; L971-V979 HydrophobicContact CD1-CG2 4.12Å
972	S	93.8	Very high	92.8	Very high	42 Å²	42	58.2 Å²	58.2	29%	0.294	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-73.9	164	171.1	65.7	0	0	0	0	112.2	E974 E975 W976	S972-E974 VanDerWaalsContact C-N 3.28Å; S972-E974 PolarHBondContact O-N 2.95Å; S972-E975 WeakPolarHBondContact CB-OE2 3.26Å; S972-E975 PolarHBondContact N-OE2 3.04Å; S972-E975 WeakPolarHBondContact O-CB 3.5Å; S972-E975 PolarHBondContact O-N 3.09Å; S972-E975 VanDerWaalsContact O-N 3.14Å; S972-E975 WeakPolarHBondContact OG-CG 3.46Å; S972-E975 PolarHBondContact OG-OE2 3.42Å; S972-W976 PolarHBondContact O-N 3.43Å
973	L	92.8	Very high	93.1	Very high	157 Å²	157	56.3 Å²	56.3	82%	0.822	28%	0.281	S	S	*	.	H	α-helix	trans	-58.1	-36.5	176.5	-84.2	158.7	0	0	0	113.4	F977	L973-F977 PolarHBondContact O-N 2.95Å
974	E	93.7	Very high	93.4	Very high	108 Å²	108	57.1 Å²	57.1	51%	0.505	29%	0.288	S	S	.	.	H	α-helix	trans	-65.7	-40.4	176.5	-72.6	173.4	-160	0	0	111.5	K870 S972 F977 M978	K870-E974 IonicContact NZ-OE1 3.33Å; K870-E974 PolarHBondContact NZ-OE1 2.96Å; K870-E974 IonicContact NZ-OE2 2.7Å; K870-E974 PolarHBondContact NZ-OE2 2.79Å; S972-E974 VanDerWaalsContact C-N 3.28Å; S972-E974 PolarHBondContact O-N 2.95Å; E974-F977 PolarHBondContact O-N 2.82Å; E974-M978 PolarHBondContact O-N 3.07Å
975	E	94.5	Very high	93.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-67.1	-45.7	177.3	-74.1	159.8	159.5	0	0	110.8	W863 Y868 K904 M908 L971 S972 F977 M978 V979	W863-E975 HydrophobicContact CZ3-CG 4.48Å; Y868-E975 HydrophobicContact CE1-CG 4.23Å; Y868-E975 WeakPolarHBondContact CE1-OE1 3.47Å; Y868-E975 HydrophobicContact CE2-CG 4.4Å; K904-E975 IonicContact NZ-OE1 2.7Å; K904-E975 PolarHBondContact NZ-OE1 3.41Å; K904-E975 IonicContact NZ-OE2 3.15Å; K904-E975 PolarHBondContact NZ-OE2 2.85Å; K904-E975 VanDerWaalsContact NZ-OE2 3.16Å; M908-E975 HydrophobicContact SD-CB 3.76Å; M908-E975 HydrophobicContact SD-CG 4.15Å; L971-E975 HydrophobicContact CB-CB 4.14Å; L971-E975 HydrophobicContact CD2-CB 4.23Å; S972-E975 WeakPolarHBondContact CB-OE2 3.26Å; S972-E975 PolarHBondContact N-OE2 3.04Å; S972-E975 WeakPolarHBondContact O-CB 3.5Å; S972-E975 PolarHBondContact O-N 3.09Å; S972-E975 VanDerWaalsContact O-N 3.14Å; S972-E975 WeakPolarHBondContact OG-CG 3.46Å; S972-E975 PolarHBondContact OG-OE2 3.42Å; E975-F977 VanDerWaalsContact C-N 3.29Å; E975-F977 PolarHBondContact O-N 3.13Å; E975-M978 WeakPolarHBondContact O-CA 3.44Å; E975-M978 WeakPolarHBondContact O-CB 3.29Å; E975-M978 PolarHBondContact O-N 3.44Å; E975-V979 WeakPolarHBondContact O-CG2 3.48Å; E975-V979 PolarHBondContact O-N 3.38Å
976	W	95.5	Very high	94.2	Very high	37 Å²	37	50.4 Å²	50.4	14%	0.14	26%	0.26	C	S	.	.	H	α-helix	trans	-59.2	-37.1	173.9	-90.8	113.4	0	0	0	113.4	M950 H953 F954 L957 L971 S972 M978 V979 I980	M950-W976 HydrophobicContact CE-CH2 4.2Å; M950-W976 HydrophobicContact CE-CZ3 4.44Å; H953-W976 AromaticContact CD2-CH2 3.91Å; F954-W976 HydrophobicContact CD1-CZ2 4.22Å; F954-W976 AromaticContact CE1-CE2 3.77Å; F954-W976 HydrophobicContact CE1-CH2 4.15Å; F954-W976 AromaticContact CE1-CZ2 3.39Å; F954-W976 HydrophobicContact CE1-CZ2 3.39Å; F954-W976 AromaticContact CE1-NE1 3.99Å; F954-W976 HydrophobicContact CZ-CH2 4.14Å; F954-W976 AromaticContact CZ-CZ2 3.82Å; F954-W976 HydrophobicContact CZ-CZ2 3.82Å; L957-W976 HydrophobicContact CD1-CZ2 4.14Å; L971-W976 HydrophobicContact CB-CG 4.45Å; S972-W976 PolarHBondContact O-N 3.43Å; W976-M978 VanDerWaalsContact C-N 3.26Å; W976-M978 PolarHBondContact O-N 3.15Å; W976-V979 HydrophobicContact CE3-CB 4.03Å; W976-V979 HydrophobicContact CE3-CG1 3.95Å; W976-V979 HydrophobicContact CE3-CG2 4.44Å; W976-V979 HydrophobicContact CZ3-CB 4.41Å; W976-V979 HydrophobicContact CZ3-CG1 3.84Å; W976-V979 WeakPolarHBondContact O-CB 3.35Å; W976-V979 PolarHBondContact O-N 3.46Å; W976-I980 WeakPolarHBondContact O-CG1 3.23Å; W976-I980 PolarHBondContact O-N 2.62Å
977	F	96	Very high	94.4	Very high	124 Å²	124	51.7 Å²	51.7	54%	0.544	27%	0.268	S	S	.	.	H	α-helix	trans	-63.8	-35.2	175.8	-169.4	-112.1	0	0	0	112	L973 E974 E975 K981	L973-F977 PolarHBondContact O-N 2.95Å; E974-F977 PolarHBondContact O-N 2.82Å; E975-F977 VanDerWaalsContact C-N 3.29Å; E975-F977 PolarHBondContact O-N 3.13Å; F977-K981 HydrophobicContact CD1-CD 4.13Å; F977-K981 HydrophobicContact CE1-CD 3.96Å; F977-K981 VanDerWaalsContact CE1-NZ 3.34Å; F977-K981 WeakPolarHBondContact O-CG 3.36Å; F977-K981 PolarHBondContact O-N 2.92Å; F977-K981 VanDerWaalsContact O-N 3.1Å
978	M	95.3	Very high	94.7	Very high	46 Å²	46	54.3 Å²	54.3	23%	0.227	28%	0.278	C	S	.	.	H	α-helix	trans	-69.3	-41.6	172.8	-167.5	65.6	-176.2	0	0	111.7	W863 M908 E974 E975 W976 I980 K981 I982	W863-M978 HydrophobicContact CD2-CE 4.33Å; W863-M978 HydrophobicContact CD2-CG 3.86Å; W863-M978 HydrophobicContact CE3-CG 4.04Å; W863-M978 HydrophobicContact CG-CE 4.05Å; W863-M978 HydrophobicContact CG-CG 4.48Å; W863-M978 HydrophobicContact CH2-CB 3.87Å; W863-M978 HydrophobicContact CH2-CG 4Å; W863-M978 HydrophobicContact CZ2-CB 4.05Å; W863-M978 HydrophobicContact CZ2-CG 3.83Å; W863-M978 HydrophobicContact CZ2-SD 4.26Å; W863-M978 HydrophobicContact CZ3-CB 4.16Å; W863-M978 HydrophobicContact CZ3-CG 4.12Å; M908-M978 HydrophobicContact CE-CB 4.3Å; E974-M978 PolarHBondContact O-N 3.07Å; E975-M978 WeakPolarHBondContact O-CA 3.44Å; E975-M978 WeakPolarHBondContact O-CB 3.29Å; E975-M978 PolarHBondContact O-N 3.44Å; W976-M978 VanDerWaalsContact C-N 3.26Å; W976-M978 PolarHBondContact O-N 3.15Å; M978-I980 VanDerWaalsContact C-N 3.31Å; M978-I980 PolarHBondContact O-N 2.95Å; M978-K981 PolarHBondContact O-N 3.2Å; M978-I982 HydrophobicContact CE-CD1 3.69Å; M978-I982 HydrophobicContact CE-CG1 3.87Å; M978-I982 HydrophobicContact CG-CD1 4Å; M978-I982 HydrophobicContact CG-CG1 4.43Å; M978-I982 WeakPolarHBondContact O-CG1 3.49Å; M978-I982 PolarHBondContact O-N 3.31Å
979	V	96.6	Very high	94.8	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-54.6	-47.8	174.3	173.3	0	0	0	0	110.6	M908 S911 V912 L915 L971 E975 W976 K981 I982 S983	M908-V979 HydrophobicContact CE-CG2 3.73Å; M908-V979 HydrophobicContact SD-CG2 4.04Å; S911-V979 WeakPolarHBondContact O-CG1 3.42Å; V912-V979 HydrophobicContact CG2-CB 4.21Å; V912-V979 HydrophobicContact CG2-CG1 3.95Å; V912-V979 HydrophobicContact CG2-CG2 4.14Å; L915-V979 HydrophobicContact CB-CG1 4.29Å; L915-V979 HydrophobicContact CD2-CG1 3.95Å; L971-V979 HydrophobicContact CD1-CG2 4.12Å; E975-V979 WeakPolarHBondContact O-CG2 3.48Å; E975-V979 PolarHBondContact O-N 3.38Å; W976-V979 HydrophobicContact CE3-CB 4.03Å; W976-V979 HydrophobicContact CE3-CG1 3.95Å; W976-V979 HydrophobicContact CE3-CG2 4.44Å; W976-V979 HydrophobicContact CZ3-CB 4.41Å; W976-V979 HydrophobicContact CZ3-CG1 3.84Å; W976-V979 WeakPolarHBondContact O-CB 3.35Å; W976-V979 PolarHBondContact O-N 3.46Å; V979-K981 PolarHBondContact O-N 2.93Å; V979-I982 PolarHBondContact O-N 3.3Å; V979-S983 VanDerWaalsContact O-CB 3.27Å; V979-S983 WeakPolarHBondContact O-CB 3.43Å; V979-S983 PolarHBondContact O-N 2.94Å; V979-S983 PolarHBondContact O-OG 3.05Å
980	I	96.4	Very high	94.7	Very high	90 Å²	90	55 Å²	55	46%	0.462	28%	0.279	S	S	.	.	H	α-helix	trans	-63.2	-44.1	178	-66.2	167.6	0	0	0	111.6	L915 W976 M978 I982 S983 A984	L915-I980 HydrophobicContact CD2-CB 4.34Å; L915-I980 HydrophobicContact CD2-CG1 3.8Å; W976-I980 WeakPolarHBondContact O-CG1 3.23Å; W976-I980 PolarHBondContact O-N 2.62Å; M978-I980 VanDerWaalsContact C-N 3.31Å; M978-I980 PolarHBondContact O-N 2.95Å; I980-I982 VanDerWaalsContact C-N 3.33Å; I980-I982 PolarHBondContact O-N 2.58Å; I980-S983 PolarHBondContact O-N 3.5Å; I980-A984 VanDerWaalsContact O-CB 3.29Å; I980-A984 WeakPolarHBondContact O-CB 3.26Å; I980-A984 PolarHBondContact O-N 3.48Å
981	K	96	Very high	94.7	Very high	124 Å²	124	53.8 Å²	53.8	54%	0.539	27%	0.268	S	S	.	.	H	α-helix	trans	-61.4	-40	179.3	-84.4	179.8	166.9	179.1	0	113.2	F977 M978 V979 P985	F977-K981 HydrophobicContact CD1-CD 4.13Å; F977-K981 HydrophobicContact CE1-CD 3.96Å; F977-K981 VanDerWaalsContact CE1-NZ 3.34Å; F977-K981 WeakPolarHBondContact O-CG 3.36Å; F977-K981 PolarHBondContact O-N 2.92Å; F977-K981 VanDerWaalsContact O-N 3.1Å; M978-K981 PolarHBondContact O-N 3.2Å; V979-K981 PolarHBondContact O-N 2.93Å; K981-P985 VanDerWaalsContact O-CD 3.28Å; K981-P985 WeakPolarHBondContact O-CD 3.38Å
982	I	95.8	Very high	94.6	Very high	26 Å²	26	57.8 Å²	57.8	13%	0.133	29%	0.289	C	S	.	.	H	α-helix	trans	-74.8	-32.5	177.3	-67	175.6	0	0	0	110.6	Y852 A856 A860 V912 M978 V979 I980 P985	Y852-I982 PolarHBondContact OH-O 2.52Å; A856-I982 HydrophobicContact CB-CG2 3.6Å; A860-I982 HydrophobicContact CB-CD1 3.89Å; V912-I982 HydrophobicContact CG1-CG2 3.81Å; V912-I982 HydrophobicContact CG2-CB 4.33Å; V912-I982 HydrophobicContact CG2-CG2 4.2Å; M978-I982 HydrophobicContact CE-CD1 3.69Å; M978-I982 HydrophobicContact CE-CG1 3.87Å; M978-I982 HydrophobicContact CG-CD1 4Å; M978-I982 HydrophobicContact CG-CG1 4.43Å; M978-I982 WeakPolarHBondContact O-CG1 3.49Å; M978-I982 PolarHBondContact O-N 3.31Å; V979-I982 PolarHBondContact O-N 3.3Å; I980-I982 VanDerWaalsContact C-N 3.33Å; I980-I982 PolarHBondContact O-N 2.58Å; I982-P985 WeakPolarHBondContact O-CD 3.21Å
983	S	96.4	Very high	94.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-86.3	-41.2	-172.9	-52.2	0	0	0	0	113.8	V979 I980 V986	V979-S983 VanDerWaalsContact O-CB 3.27Å; V979-S983 WeakPolarHBondContact O-CB 3.43Å; V979-S983 PolarHBondContact O-N 2.94Å; V979-S983 PolarHBondContact O-OG 3.05Å; I980-S983 PolarHBondContact O-N 3.5Å; S983-V986 VanDerWaalsContact O-CG1 3.26Å; S983-V986 WeakPolarHBondContact O-CG1 3.36Å; S983-V986 PolarHBondContact O-N 2.71Å
984	A	95.1	Very high	94.3	Very high	34 Å²	34	49.1 Å²	49.1	28%	0.281	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-34.3	-174.5	0	0	0	0	0	116.3	I980 V986 I987	I980-A984 VanDerWaalsContact O-CB 3.29Å; I980-A984 WeakPolarHBondContact O-CB 3.26Å; I980-A984 PolarHBondContact O-N 3.48Å; A984-V986 PolarHBondContact O-N 3.16Å; A984-V986 VanDerWaalsContact O-N 3.1Å; A984-I987 PolarHBondContact O-N 2.7Å
985	P	96.2	Very high	94.1	Very high	46 Å²	46	47.7 Å²	47.7	30%	0.299	24%	0.236	S	C	.	.	H	α-helix	trans	-60.1	-20.1	-179.7	-23.4	33.1	0	0	0	114.9	Y852 K981 I982 I987 F988 I989	Y852-P985 WeakPolarHBondContact OH-CB 3.44Å; Y852-P985 WeakPolarHBondContact OH-CG 3.37Å; K981-P985 VanDerWaalsContact O-CD 3.28Å; K981-P985 WeakPolarHBondContact O-CD 3.38Å; I982-P985 WeakPolarHBondContact O-CD 3.21Å; P985-I987 PolarHBondContact O-N 2.71Å; P985-F988 PolarHBondContact O-N 3.08Å; P985-I989 WeakPolarHBondContact O-CG1 3.49Å; P985-I989 PolarHBondContact O-N 3.29Å
986	V	94.5	Very high	93.9	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.006	25%	0.25	C	S	.	.	H	α-helix	trans	-57.5	-34.3	178.8	74.8	0	0	0	0	112.7	I849 Y852 I916 L919 N923 S983 A984 I989 D990	I849-V986 HydrophobicContact CG2-CG2 4.09Å; Y852-V986 HydrophobicContact CD1-CB 4.28Å; Y852-V986 HydrophobicContact CD1-CG2 4.3Å; Y852-V986 HydrophobicContact CE1-CB 4.02Å; I916-V986 HydrophobicContact CG2-CB 4.13Å; I916-V986 HydrophobicContact CG2-CG1 4.11Å; I916-V986 HydrophobicContact CG2-CG2 3.9Å; L919-V986 HydrophobicContact CB-CG1 3.66Å; L919-V986 HydrophobicContact CD1-CG1 4.06Å; N923-V986 PolarHBondContact ND2-O 2.96Å; S983-V986 VanDerWaalsContact O-CG1 3.26Å; S983-V986 WeakPolarHBondContact O-CG1 3.36Å; S983-V986 PolarHBondContact O-N 2.71Å; A984-V986 PolarHBondContact O-N 3.16Å; A984-V986 VanDerWaalsContact O-N 3.1Å; V986-I989 PolarHBondContact O-N 3.47Å; V986-D990 WeakPolarHBondContact O-CB 3.29Å; V986-D990 PolarHBondContact O-N 3.49Å
987	I	93.7	Very high	93.4	Very high	41 Å²	41	48.9 Å²	48.9	21%	0.21	24%	0.244	C	C	.	.	H	α-helix	trans	-63.2	-47	175.6	-67.4	168.7	0	0	0	110.3	L919 L931 A984 P985 D990 E991	L919-I987 HydrophobicContact CB-CD1 4.11Å; L919-I987 HydrophobicContact CB-CG1 3.99Å; L919-I987 HydrophobicContact CD1-CD1 4.36Å; L919-I987 HydrophobicContact CD2-CD1 3.69Å; L919-I987 HydrophobicContact CG-CD1 4.24Å; L931-I987 HydrophobicContact CD1-CG2 3.83Å; A984-I987 PolarHBondContact O-N 2.7Å; P985-I987 PolarHBondContact O-N 2.71Å; I987-D990 PolarHBondContact O-N 3.39Å; I987-E991 VanDerWaalsContact O-CB 3.24Å; I987-E991 WeakPolarHBondContact O-CB 3.45Å; I987-E991 PolarHBondContact O-N 3.49Å
988	F	93.9	Very high	92.7	Very high	146 Å²	146	47.1 Å²	47.1	64%	0.64	23%	0.234	S	C	*	.	H	α-helix	trans	-68.3	-38.4	-178.1	-63.9	-78.1	0	0	0	111.9	P985 E991 I992	P985-F988 PolarHBondContact O-N 3.08Å; F988-E991 PolarHBondContact O-N 3.25Å; F988-I992 VanDerWaalsContact O-CG1 3.28Å; F988-I992 WeakPolarHBondContact O-CG1 3.31Å; F988-I992 PolarHBondContact O-N 3.38Å; F988-I992 VanDerWaalsContact O-N 3.08Å
989	I	94.1	Very high	92.1	Very high	52 Å²	52	53.3 Å²	53.3	27%	0.267	26%	0.255	S	S	.	.	H	α-helix	trans	-60.3	-52.3	176.2	-66.6	167.2	0	0	0	109.7	Y852 P985 V986 E991 I992 L993	Y852-I989 HydrophobicContact CD1-CD1 4.16Å; Y852-I989 HydrophobicContact CD2-CD1 3.44Å; Y852-I989 VanDerWaalsContact CD2-CD1 3.44Å; Y852-I989 HydrophobicContact CE1-CD1 4.3Å; Y852-I989 HydrophobicContact CE2-CD1 3.57Å; Y852-I989 HydrophobicContact CG-CD1 3.74Å; P985-I989 WeakPolarHBondContact O-CG1 3.49Å; P985-I989 PolarHBondContact O-N 3.29Å; V986-I989 PolarHBondContact O-N 3.47Å; I989-E991 VanDerWaalsContact C-N 3.31Å; I989-E991 PolarHBondContact O-N 2.53Å; I989-I992 PolarHBondContact O-N 3.08Å; I989-L993 HydrophobicContact CG2-CD1 4.12Å; I989-L993 WeakPolarHBondContact O-CG 3.25Å; I989-L993 PolarHBondContact O-N 3.23Å; I989-L993 VanDerWaalsContact O-N 3.11Å
990	D	92	Very high	91.1	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-65.5	-36.5	-178.9	-169.6	59.4	0	0	0	112.4	R845 I849 N923 V986 I987 I992 L993 K994	R845-D990 IonicContact CZ-OD1 3.72Å; R845-D990 IonicContact CZ-OD2 3.85Å; R845-D990 IonicContact NE-OD1 2.82Å; R845-D990 PolarHBondContact NE-OD1 2.85Å; R845-D990 IonicContact NH2-OD1 3.74Å; R845-D990 PolarHBondContact NH2-OD1 3.02Å; R845-D990 IonicContact NH2-OD2 3.59Å; R845-D990 PolarHBondContact NH2-OD2 2.93Å; I849-D990 HydrophobicContact CD1-CB 4.22Å; I849-D990 VanDerWaalsContact CD1-OD1 3.23Å; I849-D990 WeakPolarHBondContact CD1-OD1 2.96Å; N923-D990 HydrophobicContact CB-CB 4.23Å; N923-D990 VanDerWaalsContact CB-OD2 3.28Å; N923-D990 WeakPolarHBondContact CB-OD2 3.43Å; N923-D990 VanDerWaalsContact ND2-CB 3.28Å; N923-D990 WeakPolarHBondContact ND2-CB 3.35Å; V986-D990 WeakPolarHBondContact O-CB 3.29Å; V986-D990 PolarHBondContact O-N 3.49Å; I987-D990 PolarHBondContact O-N 3.39Å; D990-I992 VanDerWaalsContact C-N 3.31Å; D990-I992 PolarHBondContact O-N 3.36Å; D990-L993 CarbonylContact O-C 3.05Å; D990-L993 WeakPolarHBondContact O-CB 3.37Å; D990-L993 PolarHBondContact O-N 3.44Å; D990-L993 VanDerWaalsContact O-N 3.09Å; D990-K994 WeakPolarHBondContact O-CG 3.07Å; D990-K994 PolarHBondContact O-N 2.85Å; D990-K994 WeakPolarHBondContact OD2-CE 3.31Å; D990-K994 IonicContact OD2-NZ 3.98Å
991	E	92.4	Very high	89.6	Confident	35 Å²	35	59.8 Å²	59.8	16%	0.164	29%	0.285	C	S	.	.	H	α-helix	trans	-68.3	-32.3	-179.8	-159.2	72.3	144.2	0	0	112.7	S930 L931 I987 F988 I989 K994 L995	S930-E991 WeakPolarHBondContact CA-OE1 2.95Å; S930-E991 WeakPolarHBondContact CB-OE1 3.25Å; S930-E991 PolarHBondContact OG-OE1 3.2Å; L931-E991 PolarHBondContact N-OE1 2.78Å; I987-E991 VanDerWaalsContact O-CB 3.24Å; I987-E991 WeakPolarHBondContact O-CB 3.45Å; I987-E991 PolarHBondContact O-N 3.49Å; F988-E991 PolarHBondContact O-N 3.25Å; I989-E991 VanDerWaalsContact C-N 3.31Å; I989-E991 PolarHBondContact O-N 2.53Å; E991-K994 WeakPolarHBondContact OE2-CD 3.21Å; E991-L995 WeakPolarHBondContact O-CB 3.42Å; E991-L995 PolarHBondContact O-N 3.24Å
992	I	93	Very high	87.7	Confident	103 Å²	103	57.8 Å²	57.8	53%	0.528	28%	0.28	S	S	.	.	H	α-helix	trans	-65.8	-44.5	169.1	-69.1	165.9	0	0	0	110.2	F988 I989 D990 K994 L995 I996	F988-I992 VanDerWaalsContact O-CG1 3.28Å; F988-I992 WeakPolarHBondContact O-CG1 3.31Å; F988-I992 PolarHBondContact O-N 3.38Å; F988-I992 VanDerWaalsContact O-N 3.08Å; I989-I992 PolarHBondContact O-N 3.08Å; D990-I992 VanDerWaalsContact C-N 3.31Å; D990-I992 PolarHBondContact O-N 3.36Å; I992-K994 PolarHBondContact O-N 2.94Å; I992-L995 WeakPolarHBondContact O-CB 3.15Å; I992-L995 PolarHBondContact O-N 3.38Å; I992-I996 HydrophobicContact CG2-CD1 4.03Å; I992-I996 WeakPolarHBondContact O-CG1 3.35Å; I992-I996 PolarHBondContact O-N 3.03Å
993	L	91.6	Very high	85	Confident	17 Å²	17	61.4 Å²	61.4	9%	0.089	30%	0.303	C	S	.	.	H	α-helix	trans	-63.2	-41.1	178.8	-66.1	170.4	0	0	0	111.7	W841 F844 R845 A848 I849 I989 D990 I996 A997	W841-L993 HydrophobicContact CH2-CD2 4.5Å; F844-L993 HydrophobicContact CE1-CD2 4.44Å; R845-L993 HydrophobicContact CB-CD1 4.47Å; R845-L993 HydrophobicContact CG-CB 4.09Å; R845-L993 HydrophobicContact CG-CD1 3.85Å; A848-L993 HydrophobicContact CB-CD1 4.32Å; I849-L993 HydrophobicContact CG1-CD1 4.38Å; I989-L993 HydrophobicContact CG2-CD1 4.12Å; I989-L993 WeakPolarHBondContact O-CG 3.25Å; I989-L993 PolarHBondContact O-N 3.23Å; I989-L993 VanDerWaalsContact O-N 3.11Å; D990-L993 CarbonylContact O-C 3.05Å; D990-L993 WeakPolarHBondContact O-CB 3.37Å; D990-L993 PolarHBondContact O-N 3.44Å; D990-L993 VanDerWaalsContact O-N 3.09Å; L993-I996 PolarHBondContact O-N 3.02Å; L993-A997 PolarHBondContact O-N 2.76Å
994	K	88.7	Confident	82.1	Confident	1 Å²	1	65.7 Å²	65.7	0%	0.004	33%	0.331	C	S	.	.	H	α-helix	trans	-61.5	-41.8	171.6	-74.6	173.9	166.5	-173.1	0	112.4	R845 N923 S926 Q929 D990 E991 I992 I996 A997 R998	R845-K994 VanDerWaalsContact CZ-CG 3.49Å; R845-K994 VanDerWaalsContact NH2-CG 3.26Å; N923-K994 WeakPolarHBondContact O-CE 3.17Å; N923-K994 PolarHBondContact O-NZ 3.43Å; S926-K994 WeakPolarHBondContact O-CE 3.29Å; S926-K994 PolarHBondContact O-NZ 2.88Å; Q929-K994 WeakPolarHBondContact O-CD 3.43Å; Q929-K994 PolarHBondContact O-NZ 2.91Å; D990-K994 WeakPolarHBondContact O-CG 3.07Å; D990-K994 PolarHBondContact O-N 2.85Å; D990-K994 WeakPolarHBondContact OD2-CE 3.31Å; D990-K994 IonicContact OD2-NZ 3.98Å; E991-K994 WeakPolarHBondContact OE2-CD 3.21Å; I992-K994 PolarHBondContact O-N 2.94Å; K994-I996 VanDerWaalsContact C-N 3.32Å; K994-I996 PolarHBondContact O-N 2.79Å; K994-A997 WeakPolarHBondContact O-CB 3.26Å; K994-A997 PolarHBondContact O-N 3.5Å; K994-R998 WeakPolarHBondContact O-CG 3.22Å; K994-R998 PolarHBondContact O-N 3.01Å
995	L	88.7	Confident	79.1	Confident	78 Å²	78	69.7 Å²	69.7	41%	0.408	36%	0.357	S	S	.	.	H	α-helix	trans	-61.5	-41.6	176.7	-173.2	80.7	0	0	0	111.7	E991 I992 R999	E991-L995 WeakPolarHBondContact O-CB 3.42Å; E991-L995 PolarHBondContact O-N 3.24Å; I992-L995 WeakPolarHBondContact O-CB 3.15Å; I992-L995 PolarHBondContact O-N 3.38Å; L995-R999 PolarHBondContact O-N 2.87Å
996	I	89.7	Confident	75.9	Confident	61 Å²	61	73.4 Å²	73.4	31%	0.313	38%	0.379	S	S	.	.	H	α-helix	trans	-63.8	-45.5	176	-65.4	165.7	0	0	0	109.9	W841 I992 L993 K994 R998 R999 F1000	W841-I996 HydrophobicContact CH2-CB 4.16Å; W841-I996 HydrophobicContact CH2-CG2 3.51Å; W841-I996 HydrophobicContact CZ2-CB 4.01Å; W841-I996 HydrophobicContact CZ2-CG2 3.69Å; W841-I996 HydrophobicContact CZ3-CG2 4.43Å; I992-I996 HydrophobicContact CG2-CD1 4.03Å; I992-I996 WeakPolarHBondContact O-CG1 3.35Å; I992-I996 PolarHBondContact O-N 3.03Å; L993-I996 PolarHBondContact O-N 3.02Å; K994-I996 VanDerWaalsContact C-N 3.32Å; K994-I996 PolarHBondContact O-N 2.79Å; I996-R998 PolarHBondContact O-N 3.46Å; I996-R999 PolarHBondContact O-N 3.46Å; I996-R999 VanDerWaalsContact O-N 3.16Å; I996-F1000 HydrophobicContact CG2-CD2 4.04Å; I996-F1000 WeakPolarHBondContact O-CD2 3.49Å; I996-F1000 PolarHBondContact O-N 3.35Å
997	A	85.3	Confident	72.8	Confident	0 Å²	0	80.4 Å²	80.4	0%	0	42%	0.421	C	S	.	.	H	α-helix	trans	-56.4	-50.7	179.1	0	0	0	0	0	111.9	L993 K994 R999 F1000 T1001 D1002	L993-A997 PolarHBondContact O-N 2.76Å; K994-A997 WeakPolarHBondContact O-CB 3.26Å; K994-A997 PolarHBondContact O-N 3.5Å; A997-R999 PolarHBondContact O-N 3.28Å; A997-F1000 PolarHBondContact O-N 2.89Å; A997-T1001 WeakPolarHBondContact CA-OG1 3.31Å; A997-T1001 PolarHBondContact O-N 3.12Å; A997-T1001 PolarHBondContact O-OG1 2.92Å; A997-D1002 PolarHBondContact O-N 2.91Å
998	R	82.3	Confident	69.7	Low	87 Å²	87	81.3 Å²	81.3	33%	0.328	44%	0.441	S	S	.	.	H	α-helix	trans	-60.4	-30.4	179.1	-71.4	-171.5	-63.6	-107.8	4	113.8	N928 K994 I996	N928-R998 HydrophobicContact CB-CG 4.14Å; N928-R998 WeakPolarHBondContact O-CD 3.48Å; N928-R998 WeakPolarHBondContact O-CG 3.47Å; N928-R998 PolarHBondContact O-NH1 3.43Å; K994-R998 WeakPolarHBondContact O-CG 3.22Å; K994-R998 PolarHBondContact O-N 3.01Å; I996-R998 PolarHBondContact O-N 3.46Å
999	R	81.3	Confident	66.5	Low	177 Å²	177	83.8 Å²	83.8	67%	0.668	46%	0.455	S	S	*	.	H	α-helix	trans	-90	-33.2	-177.3	-83	-170.1	175.2	-175.6	0.7	113.9	L995 I996 A997	L995-R999 PolarHBondContact O-N 2.87Å; I996-R999 PolarHBondContact O-N 3.46Å; I996-R999 VanDerWaalsContact O-N 3.16Å; A997-R999 PolarHBondContact O-N 3.28Å
1000	F	75.1	Confident	63.5	Low	159 Å²	159	89.8 Å²	89.8	70%	0.697	49%	0.486	S	S	*	.	H	α-helix	trans	-121.6	-24.7	-165.1	-64.9	-77.3	0	0	0	114.7	I996 A997	I996-F1000 HydrophobicContact CG2-CD2 4.04Å; I996-F1000 WeakPolarHBondContact O-CD2 3.49Å; I996-F1000 PolarHBondContact O-N 3.35Å; A997-F1000 PolarHBondContact O-N 2.89Å
1001	T	66	Low	60.6	Low	66 Å²	66	102.7 Å²	102.7	41%	0.405	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-34.5	-177.3	50.6	0	0	0	0	114	W841 A997 V1003	W841-T1001 HydrophobicContact CB-CG2 4.31Å; W841-T1001 HydrophobicContact CD2-CG2 4.19Å; W841-T1001 HydrophobicContact CG-CG2 3.99Å; A997-T1001 WeakPolarHBondContact CA-OG1 3.31Å; A997-T1001 PolarHBondContact O-N 3.12Å; A997-T1001 PolarHBondContact O-OG1 2.92Å; T1001-V1003 PolarHBondContact O-N 2.91Å
1002	D	56.8	Low	59	Low	82 Å²	82	106.1 Å²	106.1	44%	0.439	56%	0.562	S	S	.	*			trans	-88.2	5.6	-172.9	-70.1	-4.1	0	0	0	114.6	N928 A997 P1004	N928-D1002 PolarHBondContact ND2-OD1 2.79Å; N928-D1002 PolarHBondContact ND2-OD2 2.99Å; A997-D1002 PolarHBondContact O-N 2.91Å; D1002-P1004 VanDerWaalsContact O-CD 3.23Å; D1002-P1004 WeakPolarHBondContact O-CD 3.45Å; D1002-P1004 VanDerWaalsContact O-N 3.14Å
1003	V	37.9	Very low	57.2	Low	102 Å²	102	106.3 Å²	106.3	62%	0.618	56%	0.563	S	S	*	*			trans	-65.9	116.9	177.7	-176	0	0	0	0	108.2	T1001 S1005	T1001-V1003 PolarHBondContact O-N 2.91Å; V1003-S1005 PolarHBondContact O-N 3.41Å
1004	P	35.9	Very low	55.3	Low	90 Å²	90	111.2 Å²	111.2	58%	0.584	59%	0.59	S	S	*	*			trans	-60.5	130.8	179.5	-17	29.5	0	0	0	108.5	D1002 T1006	D1002-P1004 VanDerWaalsContact O-CD 3.23Å; D1002-P1004 WeakPolarHBondContact O-CD 3.45Å; D1002-P1004 VanDerWaalsContact O-N 3.14Å; P1004-T1006 HydrophobicContact CB-CG2 3.95Å; P1004-T1006 PolarHBondContact O-N 3.12Å; P1004-T1006 PolarHBondContact O-OG1 3.3Å
1005	S	32	Very low	53.3	Low	118 Å²	118	117.7 Å²	117.7	83%	0.825	62%	0.624	S	S	*	*			trans	-68.4	64.5	166.2	52.6	0	0	0	0	110.1	V1003 V1007	V1003-S1005 PolarHBondContact O-N 3.41Å; S1005-V1007 PolarHBondContact O-N 2.89Å
1006	T	29.5	Very low	51.1	Low	124 Å²	124	120.2 Å²	120.2	76%	0.761	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	35	176.7	37.9	0	0	0	0	112.7	P1004	P1004-T1006 HydrophobicContact CB-CG2 3.95Å; P1004-T1006 PolarHBondContact O-N 3.12Å; P1004-T1006 PolarHBondContact O-OG1 3.3Å
1007	V	29.4	Very low	48.5	Very low	148 Å²	148	124.1 Å²	124.1	90%	0.897	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.5	11.9	174	-169.1	0	0	0	0	112	S1005	S1005-V1007 PolarHBondContact O-N 2.89Å
1008	G	28	Very low	45.9	Very low	61 Å²	61	133 Å²	133	63%	0.629	71%	0.706	S	S	*	*	S	Bend	trans	-96.4	-30	-172.5	0	0	0	0	0	118.3	L1010	G1008-L1010 PolarHBondContact O-N 3.06Å
1009	E	27.3	Very low	43.1	Very low	198 Å²	198	136.5 Å²	136.5	93%	0.925	74%	0.736	S	S	*	*			trans	-107.1	58.6	-167.5	-70.1	-172.3	161.9	0	0	114
1010	L	31.1	Very low	39.9	Very low	177 Å²	177	133.2 Å²	133.2	93%	0.927	74%	0.741	S	S	*	*			trans	-132.8	32.8	164.4	-97.3	168.3	0	0	0	111.7	G1008	G1008-L1010 PolarHBondContact O-N 3.06Å
1011	K	29.6	Very low	36.7	Very low	273 Å²	273	130.8 Å²	130.8	100%	1.187	75%	0.745	S	S	*	*			trans	-123.8	0	169.6	-89	-169.8	176	-179.3	0	112.3

Retrieved 1,011 of 1,011 residues in 867.3 ms (Link to these results)

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