A0A077Z743_TRITR Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A077Z743, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,038 aa.

						>A0A077Z743_TRITR|A0A077Z743
MEQWVSDQLYDIVGISDRYIADFMVGLARKANSVDDFIRSIGDTDTIAVDDKVSRFAQELWQRMPRVHSSPVTKIPKVSAARLREEQHRALEKWNRSFKMLPDDQSDEEEAISTSKIRNQHLRKRATADVDSDDDASVLTFNTRSASTKKSKADDLSDAEDEMDKIEAERVRDLQERDALAERLKQKDKEKTRHVLEKVDKKAYEEAAKRSRLNAEDRKELIPELRKQSRRDYLKKREVDKLEELELALLDEARLFAGEKLAKREIADVEYKKRVLHLAKEYKKADAIIKAERYRIPEAEAKPENKYVEVDEKELGPGSEQRKWEEEKLINALIKYGAKDAKLKLSRDNFELLLEDTIDFVKALQTPGNVKEDEQELAEIKRRQTIAETRKSLPIYPFREDILQAISEHQIIIVEGETGSGKTTQIPQYLYEAGYCKDGKKVGCTQPRRVAAMSVASRVATEMNVKLGMEVGYSIRFEDCTSERTAIKYMTDGMLLREFLSEPDMQAYNVMIIDEAHERTLHTDILFGLVKDIARFRTDLKLLISSATLDAEKFSAFFDDAPIFKIPGRRFPVDIYYTKAPEADYIDACIVSVLQIHVTQPLPGDILVFLTGQEEIDAVQEALAERCRRIGTKMKELVVVPIYANLPSDLQAKIFEPMPPGARKVVLATNIAETSVTIDGIAYVIDPGFCKQNSYDFRRGMEYLHVVPISKASANQRAGRAGRTGPGKCFRLYTAWAYQKELEDQPVPEIQRTNLGNVVLMLKSLGIHDLVHFDFLDAPPQEALVLALEQLYALGALNHRGELTKLGRRMAEFPTDPMMSKMLMASEKYKCSEEILTIASMLSVNAAVFYRPKDKILHADTARQSFWVPGGDHLTLLNVYNQWKETDYSTQWCYENYVQHRSMKRARDVRDQLEGLMDRVEIELESNLGDTVAIRKAITAGYFYHTARMSKSGHYETVKNHNTVFIHPNSSLFEDRPRWVIYHELVYTTKEFMRELVEIENTWLLEVAPHYYKQKEVDDSASKKMPKTIGKTYEELSR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	72.2	Confident	82.2	Confident	90 Å²	90	78.2 Å²	78.2	44%	0.443	37%	0.374	S	S	.	.				0	-51	0	-151.4	-136.8	-68.8	0	0	109.9	Q3 W4 V5 V25 L60 M64	M1-Q3 PolarHBondContact O-N 2.69Å; M1-W4 PolarHBondContact O-N 3.09Å; M1-W4 VanDerWaalsContact O-N 3.08Å; M1-V5 PolarHBondContact O-N 3.13Å; M1-V25 HydrophobicContact SD-CG2 4.27Å; M1-L60 HydrophobicContact SD-CD1 3.76Å; M1-M64 HydrophobicContact CE-CG 4.15Å; M1-M64 HydrophobicContact CE-SD 3.89Å; M1-M64 HydrophobicContact SD-CG 4.46Å; M1-M64 HydrophobicContact SD-SD 4.46Å
2	E	78.1	Confident	81.7	Confident	117 Å²	117	75.6 Å²	75.6	55%	0.547	36%	0.363	S	S	.	.	H	α-helix	trans	-51.4	-47.7	174.9	-73.4	166.4	-156.2	0	0	114	W4 V5 S6	E2-W4 PolarHBondContact O-N 3.3Å; E2-V5 PolarHBondContact O-N 2.87Å; E2-S6 WeakPolarHBondContact O-CB 3.48Å; E2-S6 PolarHBondContact O-N 3.21Å
3	Q	81.4	Confident	81.1	Confident	165 Å²	165	74.4 Å²	74.4	77%	0.771	36%	0.363	S	S	*	.	H	α-helix	trans	-57.5	-44.5	174.8	-84.4	176.8	-24.4	0	0	112.9	M1 V5 S6 D7	M1-Q3 PolarHBondContact O-N 2.69Å; Q3-V5 PolarHBondContact O-N 3.28Å; Q3-S6 WeakPolarHBondContact O-CB 3.5Å; Q3-S6 PolarHBondContact O-N 2.83Å; Q3-D7 VanDerWaalsContact O-CG 3.3Å; Q3-D7 PolarHBondContact O-N 2.92Å
4	W	86	Confident	80.9	Confident	44 Å²	44	72.4 Å²	72.4	17%	0.167	37%	0.372	C	S	.	.	H	α-helix	trans	-66.7	-37.7	178.6	179.4	79.4	0	0	0	112.2	M1 E2 S6 D7 Q8 F56 E59 L60 R63	M1-W4 PolarHBondContact O-N 3.09Å; M1-W4 VanDerWaalsContact O-N 3.08Å; E2-W4 PolarHBondContact O-N 3.3Å; W4-S6 VanDerWaalsContact C-N 3.35Å; W4-D7 PolarHBondContact O-N 3.02Å; W4-Q8 HydrophobicContact CD2-CG 4.16Å; W4-Q8 HydrophobicContact CH2-CG 4.13Å; W4-Q8 HydrophobicContact CZ2-CG 3.67Å; W4-Q8 WeakPolarHBondContact O-CG 3.43Å; W4-Q8 PolarHBondContact O-N 2.93Å; W4-F56 HydrophobicContact CH2-CD2 4.21Å; W4-F56 HydrophobicContact CH2-CE2 4.43Å; W4-F56 HydrophobicContact CZ3-CD2 4.37Å; W4-F56 HydrophobicContact CZ3-CE2 4.14Å; W4-E59 HydrophobicContact CH2-CB 3.64Å; W4-E59 HydrophobicContact CZ2-CB 4.08Å; W4-E59 VanDerWaalsContact CZ2-OE2 3.24Å; W4-E59 WeakPolarHBondContact CZ2-OE2 3.41Å; W4-L60 HydrophobicContact CZ3-CB 4.17Å; W4-L60 HydrophobicContact CZ3-CD1 4.18Å; W4-R63 VanDerWaalsContact CD2-NH1 3.33Å
5	V	85.1	Confident	80.5	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-64.7	-41.7	173.6	170.1	0	0	0	0	110.7	M1 E2 Q3 Q8 L9 A21 V25 F56 L60	M1-V5 PolarHBondContact O-N 3.13Å; E2-V5 PolarHBondContact O-N 2.87Å; Q3-V5 PolarHBondContact O-N 3.28Å; V5-Q8 PolarHBondContact O-N 3.06Å; V5-L9 HydrophobicContact CG1-CD1 3.64Å; V5-L9 HydrophobicContact CG1-CG 4.28Å; V5-L9 VanDerWaalsContact O-CB 3.27Å; V5-L9 WeakPolarHBondContact O-CB 3.44Å; V5-L9 VanDerWaalsContact O-CG 3.3Å; V5-L9 WeakPolarHBondContact O-CG 3.37Å; V5-L9 PolarHBondContact O-N 3.21Å; V5-A21 HydrophobicContact CG1-CB 3.89Å; V5-V25 HydrophobicContact CG1-CG2 4.45Å; V5-V25 HydrophobicContact CG2-CG2 4.03Å; V5-F56 HydrophobicContact CG1-CZ 4.12Å; V5-L60 HydrophobicContact CG2-CD1 3.47Å; V5-L60 VanDerWaalsContact CG2-CD1 3.47Å; V5-L60 HydrophobicContact CG2-CD2 4.41Å
6	S	83.3	Confident	79.8	Confident	31 Å²	31	73.4 Å²	73.4	22%	0.217	38%	0.384	C	S	.	.	H	α-helix	trans	-61.7	-44.9	176.2	-173.6	0	0	0	0	111.9	E2 Q3 W4 L9 Y10 S16	E2-S6 WeakPolarHBondContact O-CB 3.48Å; E2-S6 PolarHBondContact O-N 3.21Å; Q3-S6 WeakPolarHBondContact O-CB 3.5Å; Q3-S6 PolarHBondContact O-N 2.83Å; W4-S6 VanDerWaalsContact C-N 3.35Å; S6-L9 PolarHBondContact O-N 2.82Å; S6-Y10 WeakPolarHBondContact O-CB 3.24Å; S6-Y10 PolarHBondContact O-N 2.97Å; S6-S16 WeakPolarHBondContact OG-CB 3.24Å
7	D	85.3	Confident	79.6	Confident	101 Å²	101	73.4 Å²	73.4	54%	0.54	38%	0.384	S	S	.	.	H	α-helix	trans	-65.3	-43.5	178.3	-68	-16.5	0	0	0	111.7	Q3 W4 Y10 D11	Q3-D7 VanDerWaalsContact O-CG 3.3Å; Q3-D7 PolarHBondContact O-N 2.92Å; W4-D7 PolarHBondContact O-N 3.02Å; D7-Y10 WeakPolarHBondContact O-CB 3.34Å; D7-Y10 PolarHBondContact O-N 3.25Å; D7-D11 PolarHBondContact O-N 3.11Å; D7-D11 VanDerWaalsContact O-N 3.14Å
8	Q	84.1	Confident	79.6	Confident	52 Å²	52	78.9 Å²	78.9	24%	0.243	40%	0.399	C	S	.	.	H	α-helix	trans	-69.8	-36.5	177.4	-68.7	-59.8	-63.8	0	0	112.8	W4 V5 Y10 D11 I12 F56	W4-Q8 HydrophobicContact CD2-CG 4.16Å; W4-Q8 HydrophobicContact CH2-CG 4.13Å; W4-Q8 HydrophobicContact CZ2-CG 3.67Å; W4-Q8 WeakPolarHBondContact O-CG 3.43Å; W4-Q8 PolarHBondContact O-N 2.93Å; V5-Q8 PolarHBondContact O-N 3.06Å; Q8-Y10 VanDerWaalsContact C-N 3.28Å; Q8-Y10 PolarHBondContact O-N 3.09Å; Q8-D11 PolarHBondContact O-N 3.44Å; Q8-I12 WeakPolarHBondContact O-CB 3.36Å; Q8-I12 WeakPolarHBondContact O-CD1 3.35Å; Q8-I12 VanDerWaalsContact O-CG1 3.24Å; Q8-I12 WeakPolarHBondContact O-CG1 3.35Å; Q8-I12 PolarHBondContact O-N 2.98Å; Q8-F56 HydrophobicContact CB-CD2 3.55Å; Q8-F56 HydrophobicContact CB-CE2 3.69Å; Q8-F56 HydrophobicContact CG-CD2 4.17Å; Q8-F56 HydrophobicContact CG-CE2 4.47Å
9	L	82.9	Confident	79.7	Confident	4 Å²	4	83.6 Å²	83.6	2%	0.021	41%	0.413	C	S	.	.	H	α-helix	trans	-65.3	-34.4	173.2	-80.5	168.1	0	0	0	111.5	V5 S6 I12 V13 I20 A21 M24 F56	V5-L9 HydrophobicContact CG1-CD1 3.64Å; V5-L9 HydrophobicContact CG1-CG 4.28Å; V5-L9 VanDerWaalsContact O-CB 3.27Å; V5-L9 WeakPolarHBondContact O-CB 3.44Å; V5-L9 VanDerWaalsContact O-CG 3.3Å; V5-L9 WeakPolarHBondContact O-CG 3.37Å; V5-L9 PolarHBondContact O-N 3.21Å; S6-L9 PolarHBondContact O-N 2.82Å; L9-I12 PolarHBondContact O-N 3.05Å; L9-V13 HydrophobicContact CD2-CG2 4.09Å; L9-V13 WeakPolarHBondContact O-CB 3.33Å; L9-V13 PolarHBondContact O-N 3Å; L9-I20 HydrophobicContact CD1-CG2 4.02Å; L9-I20 HydrophobicContact CD2-CG2 4.38Å; L9-A21 HydrophobicContact CD1-CB 4.19Å; L9-M24 HydrophobicContact CD1-CG 4.21Å; L9-M24 HydrophobicContact CD2-CG 4.27Å; L9-F56 HydrophobicContact CG-CZ 4.3Å
10	Y	83.7	Confident	79.8	Confident	140 Å²	140	82.3 Å²	82.3	55%	0.549	41%	0.407	S	S	.	.	H	α-helix	trans	-62.9	-42.9	172.8	-163.5	-95.2	0	0	0	111.6	S6 D7 Q8 I12 G14	S6-Y10 WeakPolarHBondContact O-CB 3.24Å; S6-Y10 PolarHBondContact O-N 2.97Å; D7-Y10 WeakPolarHBondContact O-CB 3.34Å; D7-Y10 PolarHBondContact O-N 3.25Å; Q8-Y10 VanDerWaalsContact C-N 3.28Å; Q8-Y10 PolarHBondContact O-N 3.09Å; Y10-I12 VanDerWaalsContact C-N 3.32Å; Y10-I12 PolarHBondContact O-N 2.87Å; Y10-G14 WeakPolarHBondContact O-CA 3.45Å; Y10-G14 PolarHBondContact O-N 3.36Å
11	D	81.9	Confident	79.9	Confident	116 Å²	116	78.6 Å²	78.6	62%	0.62	39%	0.389	S	S	*	.	H	α-helix	trans	-68.7	-26.2	176.8	-83.9	-12.6	0	0	0	114	D7 Q8	D7-D11 PolarHBondContact O-N 3.11Å; D7-D11 VanDerWaalsContact O-N 3.14Å; Q8-D11 PolarHBondContact O-N 3.44Å
12	I	76	Confident	80.5	Confident	47 Å²	47	77.3 Å²	77.3	24%	0.241	38%	0.384	C	S	.	.	H	α-helix	trans	-95.1	-49.2	-175.6	-67.1	168.4	0	0	0	112.2	Q8 L9 Y10 V53 F56	Q8-I12 WeakPolarHBondContact O-CB 3.36Å; Q8-I12 WeakPolarHBondContact O-CD1 3.35Å; Q8-I12 VanDerWaalsContact O-CG1 3.24Å; Q8-I12 WeakPolarHBondContact O-CG1 3.35Å; Q8-I12 PolarHBondContact O-N 2.98Å; L9-I12 PolarHBondContact O-N 3.05Å; Y10-I12 VanDerWaalsContact C-N 3.32Å; Y10-I12 PolarHBondContact O-N 2.87Å; I12-V53 HydrophobicContact CG2-CG2 3.69Å; I12-F56 HydrophobicContact CD1-CB 3.44Å; I12-F56 VanDerWaalsContact CD1-CB 3.44Å; I12-F56 HydrophobicContact CD1-CD1 4.14Å; I12-F56 HydrophobicContact CD1-CD2 4.18Å; I12-F56 HydrophobicContact CD1-CG 3.66Å
13	V	74.8	Confident	80.8	Confident	60 Å²	60	76.4 Å²	76.4	36%	0.364	38%	0.378	S	S	.	.	H	α-helix	trans	-104.6	-13.2	-171.3	-169.8	0	0	0	0	111.3	L9 I15 I47	L9-V13 HydrophobicContact CD2-CG2 4.09Å; L9-V13 WeakPolarHBondContact O-CB 3.33Å; L9-V13 PolarHBondContact O-N 3Å; V13-I15 PolarHBondContact O-N 2.95Å; V13-I47 HydrophobicContact CG2-CD1 4.25Å; V13-I47 HydrophobicContact CG2-CG1 4.45Å
14	G	77.9	Confident	80.9	Confident	47 Å²	47	68.7 Å²	68.7	49%	0.485	34%	0.342	S	S	.	.	S	Bend	trans	74.4	4.7	-176.4	0	0	0	0	0	114	Y10	Y10-G14 WeakPolarHBondContact O-CA 3.45Å; Y10-G14 PolarHBondContact O-N 3.36Å
15	I	74.9	Confident	80.9	Confident	103 Å²	103	67.3 Å²	67.3	53%	0.528	34%	0.339	S	S	.	.			trans	-137.3	130.8	-176.6	-57.1	175.9	0	0	0	108.5	V13	V13-I15 PolarHBondContact O-N 2.95Å
16	S	69.4	Low	80.9	Confident	58 Å²	58	68.7 Å²	68.7	41%	0.406	35%	0.353	S	S	.	.			trans	-114.2	98.4	170.5	62.6	0	0	0	0	109.5	S6	S6-S16 WeakPolarHBondContact OG-CB 3.24Å
17	D	76.9	Confident	81.1	Confident	72 Å²	72	68.5 Å²	68.5	39%	0.385	35%	0.35	S	S	.	.			trans	-107.9	138.5	167.5	-168.6	-6	0	0	0	109.2	Y19 I20 A21	D17-Y19 PolarHBondContact O-N 2.88Å; D17-Y19 WeakPolarHBondContact OD1-CD2 3.23Å; D17-Y19 PolarHBondContact OD1-N 2.88Å; D17-I20 HydrophobicContact CB-CB 4.48Å; D17-I20 HydrophobicContact CB-CD1 3.88Å; D17-I20 HydrophobicContact CB-CG1 4Å; D17-I20 PolarHBondContact O-N 3.35Å; D17-I20 VanDerWaalsContact O-N 3.11Å; D17-A21 PolarHBondContact O-N 3.49Å; D17-A21 VanDerWaalsContact O-N 3.12Å
18	R	79.6	Confident	81.1	Confident	174 Å²	174	63.8 Å²	63.8	66%	0.657	32%	0.324	S	S	*	.	H	α-helix	trans	-59.6	-37.6	-178.6	-164.6	179.9	101.1	-178.2	4	111	I20 A21 D22	R18-I20 VanDerWaalsContact C-N 3.33Å; R18-I20 PolarHBondContact O-N 3.39Å; R18-A21 PolarHBondContact O-N 3.43Å; R18-D22 PolarHBondContact O-N 3.35Å
19	Y	80.9	Confident	81.1	Confident	168 Å²	168	69.9 Å²	69.9	66%	0.659	35%	0.345	S	S	*	.	H	α-helix	trans	-65.5	-35.8	178.6	-63.5	-75.1	0	0	0	112.5	D17 F23	D17-Y19 PolarHBondContact O-N 2.88Å; D17-Y19 WeakPolarHBondContact OD1-CD2 3.23Å; D17-Y19 PolarHBondContact OD1-N 2.88Å; Y19-F23 WeakPolarHBondContact O-CB 3.15Å; Y19-F23 PolarHBondContact O-N 3.02Å
20	I	80.8	Confident	81.1	Confident	57 Å²	57	77.8 Å²	77.8	29%	0.292	38%	0.379	S	S	.	.	H	α-helix	trans	-70.3	-41.5	176.9	-59	173	0	0	0	109.9	L9 D17 R18 F23 M24	L9-I20 HydrophobicContact CD1-CG2 4.02Å; L9-I20 HydrophobicContact CD2-CG2 4.38Å; D17-I20 HydrophobicContact CB-CB 4.48Å; D17-I20 HydrophobicContact CB-CD1 3.88Å; D17-I20 HydrophobicContact CB-CG1 4Å; D17-I20 PolarHBondContact O-N 3.35Å; D17-I20 VanDerWaalsContact O-N 3.11Å; R18-I20 VanDerWaalsContact C-N 3.33Å; R18-I20 PolarHBondContact O-N 3.39Å; I20-F23 PolarHBondContact O-N 3.08Å; I20-M24 HydrophobicContact CG2-CG 4.44Å; I20-M24 WeakPolarHBondContact O-CB 3.25Å; I20-M24 VanDerWaalsContact O-CG 3.32Å; I20-M24 WeakPolarHBondContact O-CG 3.5Å; I20-M24 PolarHBondContact O-N 3.42Å
21	A	83.6	Confident	81	Confident	4 Å²	4	71.5 Å²	71.5	3%	0.033	36%	0.356	C	S	.	.	H	α-helix	trans	-61.6	-46.5	175.7	0	0	0	0	0	111.9	V5 L9 D17 R18 F23 M24 V25	V5-A21 HydrophobicContact CG1-CB 3.89Å; L9-A21 HydrophobicContact CD1-CB 4.19Å; D17-A21 PolarHBondContact O-N 3.49Å; D17-A21 VanDerWaalsContact O-N 3.12Å; R18-A21 PolarHBondContact O-N 3.43Å; A21-F23 VanDerWaalsContact C-N 3.34Å; A21-F23 PolarHBondContact O-N 3Å; A21-M24 PolarHBondContact O-N 3.06Å; A21-V25 VanDerWaalsContact O-CG2 3.31Å; A21-V25 WeakPolarHBondContact O-CG2 3.42Å; A21-V25 PolarHBondContact O-N 2.97Å
22	D	83.8	Confident	81.1	Confident	63 Å²	63	72.4 Å²	72.4	34%	0.337	36%	0.361	S	S	.	.	H	α-helix	trans	-64.7	-38.4	176.6	-75.7	-16.9	0	0	0	111.8	R18 V25 G26	R18-D22 PolarHBondContact O-N 3.35Å; D22-V25 PolarHBondContact O-N 3.3Å; D22-G26 PolarHBondContact O-N 3.4Å
23	F	84.7	Confident	81.5	Confident	98 Å²	98	72.5 Å²	72.5	43%	0.43	37%	0.366	S	S	.	.	H	α-helix	trans	-64.4	-44.9	175.9	180	-104.4	0	0	0	112	Y19 I20 A21 G26 L27 T44	Y19-F23 WeakPolarHBondContact O-CB 3.15Å; Y19-F23 PolarHBondContact O-N 3.02Å; I20-F23 PolarHBondContact O-N 3.08Å; A21-F23 VanDerWaalsContact C-N 3.34Å; A21-F23 PolarHBondContact O-N 3Å; F23-G26 PolarHBondContact O-N 2.99Å; F23-L27 HydrophobicContact CD1-CD1 4.03Å; F23-L27 HydrophobicContact CE1-CD1 3.37Å; F23-L27 HydrophobicContact CE1-CG 4.11Å; F23-L27 HydrophobicContact CE2-CD1 4.45Å; F23-L27 HydrophobicContact CE2-CG 4.39Å; F23-L27 HydrophobicContact CZ-CD1 3.63Å; F23-L27 HydrophobicContact CZ-CD2 4.4Å; F23-L27 HydrophobicContact CZ-CG 4.02Å; F23-L27 PolarHBondContact O-N 3.49Å; F23-T44 HydrophobicContact CE1-CG2 3.84Å; F23-T44 HydrophobicContact CZ-CG2 3.8Å
24	M	84.2	Confident	82	Confident	3 Å²	3	71.3 Å²	71.3	2%	0.015	36%	0.359	C	S	.	.	H	α-helix	trans	-63.6	-43.1	175.9	-73.1	-68	112.9	0	0	112.1	L9 I20 A21 G26 L27 A28 I41 I47	L9-M24 HydrophobicContact CD1-CG 4.21Å; L9-M24 HydrophobicContact CD2-CG 4.27Å; I20-M24 HydrophobicContact CG2-CG 4.44Å; I20-M24 WeakPolarHBondContact O-CB 3.25Å; I20-M24 VanDerWaalsContact O-CG 3.32Å; I20-M24 WeakPolarHBondContact O-CG 3.5Å; I20-M24 PolarHBondContact O-N 3.42Å; A21-M24 PolarHBondContact O-N 3.06Å; M24-G26 VanDerWaalsContact C-N 3.3Å; M24-G26 PolarHBondContact O-N 3.3Å; M24-L27 HydrophobicContact CE-CD1 3.85Å; M24-L27 PolarHBondContact O-N 3.46Å; M24-A28 WeakPolarHBondContact O-CB 3.47Å; M24-A28 PolarHBondContact O-N 2.99Å; M24-I41 HydrophobicContact SD-CD1 4.37Å; M24-I41 HydrophobicContact SD-CG1 4.21Å; M24-I47 HydrophobicContact CE-CD1 4.17Å; M24-I47 HydrophobicContact SD-CD1 4.26Å
25	V	85.8	Confident	82.3	Confident	15 Å²	15	74.4 Å²	74.4	9%	0.091	36%	0.364	C	S	.	.	H	α-helix	trans	-65	-36.6	174.2	173.8	0	0	0	0	110.9	M1 V5 A21 D22 A28 R29	M1-V25 HydrophobicContact SD-CG2 4.27Å; V5-V25 HydrophobicContact CG1-CG2 4.45Å; V5-V25 HydrophobicContact CG2-CG2 4.03Å; A21-V25 VanDerWaalsContact O-CG2 3.31Å; A21-V25 WeakPolarHBondContact O-CG2 3.42Å; A21-V25 PolarHBondContact O-N 2.97Å; D22-V25 PolarHBondContact O-N 3.3Å; V25-A28 PolarHBondContact O-N 3.43Å; V25-R29 WeakPolarHBondContact O-CG 3.5Å; V25-R29 PolarHBondContact O-N 3.45Å
26	G	85.1	Confident	82.8	Confident	29 Å²	29	72.4 Å²	72.4	30%	0.299	35%	0.354	S	S	.	.	H	α-helix	trans	-64.8	-44.5	175.4	0	0	0	0	0	113.2	D22 F23 M24 R29 K30	D22-G26 PolarHBondContact O-N 3.4Å; F23-G26 PolarHBondContact O-N 2.99Å; M24-G26 VanDerWaalsContact C-N 3.3Å; M24-G26 PolarHBondContact O-N 3.3Å; G26-R29 PolarHBondContact O-N 3.13Å; G26-K30 PolarHBondContact O-N 3.11Å
27	L	86.1	Confident	83.8	Confident	28 Å²	28	69.6 Å²	69.6	15%	0.147	34%	0.335	C	S	.	.	H	α-helix	trans	-63.9	-44.2	173.8	-78.6	177.9	0	0	0	111.3	F23 M24 R29 K30 A31 F37	F23-L27 HydrophobicContact CD1-CD1 4.03Å; F23-L27 HydrophobicContact CE1-CD1 3.37Å; F23-L27 HydrophobicContact CE1-CG 4.11Å; F23-L27 HydrophobicContact CE2-CD1 4.45Å; F23-L27 HydrophobicContact CE2-CG 4.39Å; F23-L27 HydrophobicContact CZ-CD1 3.63Å; F23-L27 HydrophobicContact CZ-CD2 4.4Å; F23-L27 HydrophobicContact CZ-CG 4.02Å; F23-L27 PolarHBondContact O-N 3.49Å; M24-L27 HydrophobicContact CE-CD1 3.85Å; M24-L27 PolarHBondContact O-N 3.46Å; L27-R29 PolarHBondContact O-N 2.85Å; L27-K30 PolarHBondContact O-N 2.74Å; L27-A31 PolarHBondContact O-N 3.49Å; L27-F37 HydrophobicContact CB-CD2 4.16Å; L27-F37 HydrophobicContact CB-CE2 3.7Å
28	A	85	Confident	84.1	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.008	32%	0.324	C	S	.	.	H	α-helix	trans	-60.9	-30.3	175.9	0	0	0	0	0	112.4	M24 V25 F37 L60 W61 M64	M24-A28 WeakPolarHBondContact O-CB 3.47Å; M24-A28 PolarHBondContact O-N 2.99Å; V25-A28 PolarHBondContact O-N 3.43Å; A28-F37 HydrophobicContact CB-CD1 4.42Å; A28-F37 HydrophobicContact CB-CD2 4.27Å; A28-F37 HydrophobicContact CB-CE1 3.96Å; A28-F37 HydrophobicContact CB-CE2 3.82Å; A28-F37 HydrophobicContact CB-CZ 3.65Å; A28-F37 VanDerWaalsContact N-CE2 3.33Å; A28-L60 HydrophobicContact CB-CD2 4.1Å; A28-L60 HydrophobicContact CB-CG 4.31Å; A28-W61 WeakPolarHBondContact O-CZ3 3.19Å; A28-M64 HydrophobicContact CB-CE 3.78Å; A28-M64 HydrophobicContact CB-SD 4.33Å; A28-M64 WeakPolarHBondContact O-CE 3.29Å
29	R	84.5	Confident	84.4	Confident	181 Å²	181	68 Å²	68	68%	0.683	33%	0.326	S	S	*	.	H	α-helix	trans	-75.5	-25.1	176.2	-79.4	-174.9	-170.1	-132.8	6	113.3	V25 G26 L27 M64	V25-R29 WeakPolarHBondContact O-CG 3.5Å; V25-R29 PolarHBondContact O-N 3.45Å; G26-R29 PolarHBondContact O-N 3.13Å; L27-R29 PolarHBondContact O-N 2.85Å; R29-M64 HydrophobicContact CB-CE 4.11Å; R29-M64 HydrophobicContact CG-CE 3.48Å; R29-M64 VanDerWaalsContact CG-CE 3.48Å; R29-M64 HydrophobicContact CG-SD 4Å
30	K	83.4	Confident	84.4	Confident	170 Å²	170	61.5 Å²	61.5	74%	0.739	31%	0.305	S	S	*	.	H	α-helix	trans	-90.5	-30.6	-177.3	-74.3	179.6	-179.8	175.7	0	113.1	G26 L27	G26-K30 PolarHBondContact O-N 3.11Å; L27-K30 PolarHBondContact O-N 2.74Å
31	A	82.4	Confident	84.5	Confident	8 Å²	8	58.9 Å²	58.9	7%	0.066	29%	0.291	C	S	.	.			trans	-65.1	151.7	179.4	0	0	0	0	0	111.4	L27 D36 F37 W61	L27-A31 PolarHBondContact O-N 3.49Å; A31-D36 HydrophobicContact CB-CB 4.4Å; A31-F37 HydrophobicContact CB-CB 3.57Å; A31-F37 HydrophobicContact CB-CD2 4.39Å; A31-F37 HydrophobicContact CB-CG 4.34Å; A31-W61 HydrophobicContact CB-CH2 4.26Å; A31-W61 HydrophobicContact CB-CZ3 3.82Å; A31-W61 WeakPolarHBondContact O-CH2 3.43Å; A31-W61 WeakPolarHBondContact O-CZ3 3.21Å
32	N	83.3	Confident	84.4	Confident	134 Å²	134	59.9 Å²	59.9	72%	0.717	30%	0.302	S	S	*	.	S	Bend	trans	-101.2	-23.5	178.8	-71.2	-51.8	0	0	0	113.8	D36 W61	N32-D36 PolarHBondContact N-OD2 2.75Å; N32-W61 VanDerWaalsContact C-CH2 3.49Å; N32-W61 WeakPolarHBondContact O-CZ2 3.5Å
33	S	84.1	Confident	84.3	Confident	50 Å²	50	63.5 Å²	63.5	35%	0.35	32%	0.322	S	S	.	.	S	Bend	trans	-137.9	165.8	176.7	75.2	0	0	0	0	110.5	D35 D36 F37	S33-D35 VanDerWaalsContact C-N 3.27Å; S33-D35 PolarHBondContact O-N 2.78Å; S33-D35 PolarHBondContact OG-N 2.84Å; S33-D36 PolarHBondContact O-N 3.46Å; S33-D36 WeakPolarHBondContact OG-CB 3.39Å; S33-D36 PolarHBondContact OG-N 3.31Å; S33-F37 PolarHBondContact O-N 3.33Å
34	V	84.8	Confident	83.8	Confident	35 Å²	35	61 Å²	61	21%	0.212	31%	0.314	C	S	.	.	H	α-helix	trans	-60	-42.4	174	179.7	0	0	0	0	110.2	D36 F37 I38 Q58 W61	V34-D36 VanDerWaalsContact C-N 3.3Å; V34-D36 PolarHBondContact O-N 3.19Å; V34-F37 WeakPolarHBondContact O-CB 3.49Å; V34-F37 PolarHBondContact O-N 3.43Å; V34-I38 HydrophobicContact CG1-CD1 3.82Å; V34-I38 HydrophobicContact CG1-CG1 4.33Å; V34-I38 WeakPolarHBondContact O-CG1 3.48Å; V34-I38 PolarHBondContact O-N 3.42Å; V34-Q58 HydrophobicContact CG1-CG 3.7Å; V34-W61 HydrophobicContact CG2-CB 4.3Å; V34-W61 HydrophobicContact CG2-CD2 4.31Å; V34-W61 HydrophobicContact CG2-CG 3.73Å; V34-W61 VanDerWaalsContact CG2-NE1 3.31Å
35	D	84.7	Confident	83.1	Confident	112 Å²	112	68.4 Å²	68.4	60%	0.599	35%	0.354	S	S	*	.	H	α-helix	trans	-65.7	-34.6	-179.8	-60.9	-30.8	0	0	0	112	S33 R39	S33-D35 VanDerWaalsContact C-N 3.27Å; S33-D35 PolarHBondContact O-N 2.78Å; S33-D35 PolarHBondContact OG-N 2.84Å; D35-R39 WeakPolarHBondContact O-CB 3.24Å; D35-R39 VanDerWaalsContact O-CG 3.27Å; D35-R39 WeakPolarHBondContact O-CG 3.48Å; D35-R39 PolarHBondContact O-N 3.05Å
36	D	86.2	Confident	82.2	Confident	60 Å²	60	72.5 Å²	72.5	32%	0.321	38%	0.379	S	S	.	.	H	α-helix	trans	-68.8	-37.1	174.7	-167.2	39.3	0	0	0	111.4	A31 N32 S33 V34 S40	A31-D36 HydrophobicContact CB-CB 4.4Å; N32-D36 PolarHBondContact N-OD2 2.75Å; S33-D36 PolarHBondContact O-N 3.46Å; S33-D36 WeakPolarHBondContact OG-CB 3.39Å; S33-D36 PolarHBondContact OG-N 3.31Å; V34-D36 VanDerWaalsContact C-N 3.3Å; V34-D36 PolarHBondContact O-N 3.19Å; D36-S40 WeakPolarHBondContact O-CB 3.3Å; D36-S40 PolarHBondContact O-N 3.14Å; D36-S40 PolarHBondContact O-OG 3.32Å
37	F	88.7	Confident	81.5	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-67.4	-45.4	173.7	-177.9	-140.5	0	0	0	111.8	L27 A28 A31 S33 V34 R39 S40 I41 A57 L60 W61	L27-F37 HydrophobicContact CB-CD2 4.16Å; L27-F37 HydrophobicContact CB-CE2 3.7Å; A28-F37 HydrophobicContact CB-CD1 4.42Å; A28-F37 HydrophobicContact CB-CD2 4.27Å; A28-F37 HydrophobicContact CB-CE1 3.96Å; A28-F37 HydrophobicContact CB-CE2 3.82Å; A28-F37 HydrophobicContact CB-CZ 3.65Å; A28-F37 VanDerWaalsContact N-CE2 3.33Å; A31-F37 HydrophobicContact CB-CB 3.57Å; A31-F37 HydrophobicContact CB-CD2 4.39Å; A31-F37 HydrophobicContact CB-CG 4.34Å; S33-F37 PolarHBondContact O-N 3.33Å; V34-F37 WeakPolarHBondContact O-CB 3.49Å; V34-F37 PolarHBondContact O-N 3.43Å; F37-R39 VanDerWaalsContact C-N 3.32Å; F37-R39 PolarHBondContact O-N 3.34Å; F37-S40 PolarHBondContact O-N 3Å; F37-I41 HydrophobicContact CD1-CD1 4.35Å; F37-I41 HydrophobicContact CD2-CD1 4.18Å; F37-I41 HydrophobicContact CD2-CG1 4.22Å; F37-I41 HydrophobicContact CE1-CD1 3.98Å; F37-I41 HydrophobicContact CE2-CD1 3.76Å; F37-I41 HydrophobicContact CE2-CG1 3.87Å; F37-I41 HydrophobicContact CG-CD1 4.45Å; F37-I41 HydrophobicContact CZ-CD1 3.65Å; F37-I41 HydrophobicContact CZ-CG1 4.25Å; F37-I41 WeakPolarHBondContact O-CG1 3.41Å; F37-I41 PolarHBondContact O-N 2.96Å; F37-A57 HydrophobicContact CD1-CB 3.83Å; F37-A57 HydrophobicContact CE1-CB 3.83Å; F37-L60 HydrophobicContact CE1-CD2 4.06Å; F37-L60 HydrophobicContact CZ-CD2 3.91Å; F37-W61 HydrophobicContact CB-CE3 4.46Å
38	I	85.1	Confident	80.8	Confident	30 Å²	30	74.5 Å²	74.5	15%	0.154	39%	0.393	C	S	.	.	H	α-helix	trans	-62.6	-40.6	177	-67.9	172.1	0	0	0	110.7	V34 I41 G42 V49 A57	V34-I38 HydrophobicContact CG1-CD1 3.82Å; V34-I38 HydrophobicContact CG1-CG1 4.33Å; V34-I38 WeakPolarHBondContact O-CG1 3.48Å; V34-I38 PolarHBondContact O-N 3.42Å; I38-I41 PolarHBondContact O-N 3.42Å; I38-G42 PolarHBondContact O-N 2.72Å; I38-V49 HydrophobicContact CG2-CG1 3.63Å; I38-A57 HydrophobicContact CD1-CB 4.41Å; I38-A57 HydrophobicContact CG1-CB 3.79Å
39	R	84.1	Confident	80.3	Confident	182 Å²	182	77.5 Å²	77.5	69%	0.687	41%	0.411	S	S	*	.	H	α-helix	trans	-63.1	-43.9	172.8	-77.1	177	-177.3	-173.2	1.1	112.3	D35 F37 I41 G42 D43	D35-R39 WeakPolarHBondContact O-CB 3.24Å; D35-R39 VanDerWaalsContact O-CG 3.27Å; D35-R39 WeakPolarHBondContact O-CG 3.48Å; D35-R39 PolarHBondContact O-N 3.05Å; F37-R39 VanDerWaalsContact C-N 3.32Å; F37-R39 PolarHBondContact O-N 3.34Å; R39-I41 VanDerWaalsContact C-N 3.27Å; R39-I41 PolarHBondContact O-N 3.26Å; R39-G42 CarbonylContact O-C 3.59Å; R39-G42 WeakPolarHBondContact O-CA 3.37Å; R39-G42 PolarHBondContact O-N 3.32Å; R39-D43 PolarHBondContact O-N 3.33Å
40	S	82.1	Confident	80	Confident	31 Å²	31	73.8 Å²	73.8	22%	0.217	41%	0.405	C	S	.	.	H	α-helix	trans	-63.3	-33.2	177.8	-60	0	0	0	0	112.6	D36 F37 T44	D36-S40 WeakPolarHBondContact O-CB 3.3Å; D36-S40 PolarHBondContact O-N 3.14Å; D36-S40 PolarHBondContact O-OG 3.32Å; F37-S40 PolarHBondContact O-N 3Å; S40-T44 PolarHBondContact O-OG1 3.49Å; S40-T44 VanDerWaalsContact O-OG1 3.04Å
41	I	83.3	Confident	80	Confident	2 Å²	2	72 Å²	72	1%	0.01	40%	0.404	C	S	.	.	H	α-helix	trans	-66.8	-46.6	171.3	-67	167.2	0	0	0	109.7	M24 F37 I38 R39 D43 T44 I47 V53 A57	M24-I41 HydrophobicContact SD-CD1 4.37Å; M24-I41 HydrophobicContact SD-CG1 4.21Å; F37-I41 HydrophobicContact CD1-CD1 4.35Å; F37-I41 HydrophobicContact CD2-CD1 4.18Å; F37-I41 HydrophobicContact CD2-CG1 4.22Å; F37-I41 HydrophobicContact CE1-CD1 3.98Å; F37-I41 HydrophobicContact CE2-CD1 3.76Å; F37-I41 HydrophobicContact CE2-CG1 3.87Å; F37-I41 HydrophobicContact CG-CD1 4.45Å; F37-I41 HydrophobicContact CZ-CD1 3.65Å; F37-I41 HydrophobicContact CZ-CG1 4.25Å; F37-I41 WeakPolarHBondContact O-CG1 3.41Å; F37-I41 PolarHBondContact O-N 2.96Å; I38-I41 PolarHBondContact O-N 3.42Å; R39-I41 VanDerWaalsContact C-N 3.27Å; R39-I41 PolarHBondContact O-N 3.26Å; I41-D43 VanDerWaalsContact C-N 3.33Å; I41-D43 PolarHBondContact O-N 3.48Å; I41-T44 WeakPolarHBondContact O-CB 3.27Å; I41-T44 PolarHBondContact O-N 3.47Å; I41-T44 VanDerWaalsContact O-N 3.11Å; I41-T44 PolarHBondContact O-OG1 3.12Å; I41-I47 HydrophobicContact CG2-CB 4.2Å; I41-V53 HydrophobicContact CG2-CG1 4.37Å; I41-A57 HydrophobicContact CD1-CB 4.26Å
42	G	80.7	Confident	80	Confident	26 Å²	26	78.5 Å²	78.5	27%	0.268	43%	0.43	S	S	.	.	H	α-helix	trans	-58.2	-39.9	177.5	0	0	0	0	0	113.7	I38 R39 T44 D45	I38-G42 PolarHBondContact O-N 2.72Å; R39-G42 CarbonylContact O-C 3.59Å; R39-G42 WeakPolarHBondContact O-CA 3.37Å; R39-G42 PolarHBondContact O-N 3.32Å; G42-T44 PolarHBondContact O-N 2.96Å; G42-T44 VanDerWaalsContact O-N 3.14Å; G42-D45 PolarHBondContact O-N 2.94Å
43	D	80.9	Confident	80	Confident	139 Å²	139	72.4 Å²	72.4	74%	0.743	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-14.1	178.4	-72.2	-14.6	0	0	0	113.5	R39 I41 D45	R39-D43 PolarHBondContact O-N 3.33Å; I41-D43 VanDerWaalsContact C-N 3.33Å; I41-D43 PolarHBondContact O-N 3.48Å; D43-D45 VanDerWaalsContact C-N 3.32Å
44	T	75.1	Confident	80	Confident	45 Å²	45	71.4 Å²	71.4	28%	0.276	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-7.4	179	-13.6	0	0	0	0	113.3	F23 S40 I41 G42 T46	F23-T44 HydrophobicContact CE1-CG2 3.84Å; F23-T44 HydrophobicContact CZ-CG2 3.8Å; S40-T44 PolarHBondContact O-OG1 3.49Å; S40-T44 VanDerWaalsContact O-OG1 3.04Å; I41-T44 WeakPolarHBondContact O-CB 3.27Å; I41-T44 PolarHBondContact O-N 3.47Å; I41-T44 VanDerWaalsContact O-N 3.11Å; I41-T44 PolarHBondContact O-OG1 3.12Å; G42-T44 PolarHBondContact O-N 2.96Å; G42-T44 VanDerWaalsContact O-N 3.14Å; T44-T46 WeakPolarHBondContact CB-OG1 3.33Å; T44-T46 WeakPolarHBondContact O-CG2 3.33Å; T44-T46 PolarHBondContact O-N 3.1Å; T44-T46 PolarHBondContact O-OG1 2.85Å
45	D	69.9	Low	80.1	Confident	158 Å²	158	77.7 Å²	77.7	85%	0.845	41%	0.411	S	S	*	.	S	Bend	trans	50	10.1	-177.2	-83	-17.9	0	0	0	116	G42 D43	G42-D45 PolarHBondContact O-N 2.94Å; D43-D45 VanDerWaalsContact C-N 3.32Å
46	T	66	Low	80.2	Confident	102 Å²	102	72.7 Å²	72.7	63%	0.626	38%	0.384	S	S	*	.	S	Bend	trans	-99.4	-24.8	-173.7	39.5	0	0	0	0	113.3	T44	T44-T46 WeakPolarHBondContact CB-OG1 3.33Å; T44-T46 WeakPolarHBondContact O-CG2 3.33Å; T44-T46 PolarHBondContact O-N 3.1Å; T44-T46 PolarHBondContact O-OG1 2.85Å
47	I	70.6	Confident	80.2	Confident	25 Å²	25	69.9 Å²	69.9	13%	0.128	37%	0.368	C	S	.	.	S	Bend	trans	-130.5	116.5	-177.6	-54.8	175.5	0	0	0	108.4	V13 M24 I41 V49 V53	V13-I47 HydrophobicContact CG2-CD1 4.25Å; V13-I47 HydrophobicContact CG2-CG1 4.45Å; M24-I47 HydrophobicContact CE-CD1 4.17Å; M24-I47 HydrophobicContact SD-CD1 4.26Å; I41-I47 HydrophobicContact CG2-CB 4.2Å; I47-V49 PolarHBondContact O-N 3.46Å; I47-V53 HydrophobicContact CG2-CG1 4.21Å; I47-V53 HydrophobicContact CG2-CG2 3.86Å
48	A	72.3	Confident	80.2	Confident	74 Å²	74	74.5 Å²	74.5	61%	0.612	39%	0.39	S	S	*	.			trans	-64.5	127.8	172.6	0	0	0	0	0	109.9	D50 V53	A48-D50 PolarHBondContact O-N 3.03Å; A48-V53 WeakPolarHBondContact O-CG2 3.28Å
49	V	73.7	Confident	80.3	Confident	63 Å²	63	77.2 Å²	77.2	38%	0.382	40%	0.402	S	S	.	.			trans	-77.9	86.4	-176.6	-175.4	0	0	0	0	109.9	I38 I47	I38-V49 HydrophobicContact CG2-CG1 3.63Å; I47-V49 PolarHBondContact O-N 3.46Å
50	D	79.5	Confident	80.5	Confident	103 Å²	103	68.6 Å²	68.6	55%	0.551	37%	0.37	S	S	*	.			trans	-91.4	168	172.5	-65	-12.9	0	0	0	111.5	A48 K52 V53 S54	A48-D50 PolarHBondContact O-N 3.03Å; D50-K52 PolarHBondContact O-N 2.91Å; D50-K52 VanDerWaalsContact O-N 3.1Å; D50-V53 PolarHBondContact O-N 3.22Å; D50-S54 PolarHBondContact O-N 3.47Å
51	D	82.9	Confident	80.7	Confident	133 Å²	133	68.2 Å²	68.2	71%	0.711	36%	0.363	S	S	*	.	H	α-helix	trans	-53.4	-32.5	175.4	-86.7	-8.5	0	0	0	113	R55	D51-R55 WeakPolarHBondContact O-CG 3.11Å; D51-R55 PolarHBondContact O-N 2.99Å; D51-R55 VanDerWaalsContact O-N 3.07Å
52	K	82.1	Confident	80.7	Confident	144 Å²	144	75.5 Å²	75.5	63%	0.626	40%	0.398	S	S	*	.	H	α-helix	trans	-67.1	-43.6	175	-70.7	-174.7	179.5	-178.6	0	112.1	D50 S54 R55 F56	D50-K52 PolarHBondContact O-N 2.91Å; D50-K52 VanDerWaalsContact O-N 3.1Å; K52-S54 VanDerWaalsContact C-N 3.31Å; K52-S54 PolarHBondContact O-N 3.25Å; K52-R55 PolarHBondContact O-N 2.83Å; K52-F56 WeakPolarHBondContact O-CB 3.46Å; K52-F56 PolarHBondContact O-N 3.48Å
53	V	82.9	Confident	80.9	Confident	7 Å²	7	80.9 Å²	80.9	4%	0.042	41%	0.41	C	S	.	.	H	α-helix	trans	-66.2	-38.1	178.6	-178.3	0	0	0	0	110.1	I12 I41 I47 A48 D50 F56 A57	I12-V53 HydrophobicContact CG2-CG2 3.69Å; I41-V53 HydrophobicContact CG2-CG1 4.37Å; I47-V53 HydrophobicContact CG2-CG1 4.21Å; I47-V53 HydrophobicContact CG2-CG2 3.86Å; A48-V53 WeakPolarHBondContact O-CG2 3.28Å; D50-V53 PolarHBondContact O-N 3.22Å; V53-F56 PolarHBondContact O-N 2.95Å; V53-A57 VanDerWaalsContact O-CB 3.29Å; V53-A57 WeakPolarHBondContact O-CB 3.29Å; V53-A57 PolarHBondContact O-N 3.38Å
54	S	83.9	Confident	80.8	Confident	28 Å²	28	75.4 Å²	75.4	20%	0.196	38%	0.38	C	S	.	.	H	α-helix	trans	-66.3	-38.6	176.6	-69.1	0	0	0	0	112.5	D50 K52 Q58	D50-S54 PolarHBondContact O-N 3.47Å; K52-S54 VanDerWaalsContact C-N 3.31Å; K52-S54 PolarHBondContact O-N 3.25Å; S54-Q58 WeakPolarHBondContact O-CB 3.3Å; S54-Q58 WeakPolarHBondContact O-CG 3.45Å; S54-Q58 PolarHBondContact O-N 3.07Å
55	R	86.9	Confident	80.7	Confident	168 Å²	168	78.2 Å²	78.2	63%	0.634	40%	0.399	S	S	*	.	H	α-helix	trans	-65.7	-45.2	171.5	-75	-178.3	-171.6	168.2	5.6	112.2	D51 K52 A57 Q58 E59	D51-R55 WeakPolarHBondContact O-CG 3.11Å; D51-R55 PolarHBondContact O-N 2.99Å; D51-R55 VanDerWaalsContact O-N 3.07Å; K52-R55 PolarHBondContact O-N 2.83Å; R55-A57 VanDerWaalsContact C-N 3.33Å; R55-A57 PolarHBondContact O-N 3.32Å; R55-Q58 PolarHBondContact O-N 2.8Å; R55-E59 PolarHBondContact O-N 3.35Å
56	F	87.9	Confident	80.3	Confident	7 Å²	7	77.9 Å²	77.9	3%	0.031	39%	0.386	C	S	.	.	H	α-helix	trans	-59.3	-44.5	175	165.2	-104.1	0	0	0	111.9	W4 V5 Q8 L9 I12 K52 V53 Q58 E59 L60	W4-F56 HydrophobicContact CH2-CD2 4.21Å; W4-F56 HydrophobicContact CH2-CE2 4.43Å; W4-F56 HydrophobicContact CZ3-CD2 4.37Å; W4-F56 HydrophobicContact CZ3-CE2 4.14Å; V5-F56 HydrophobicContact CG1-CZ 4.12Å; Q8-F56 HydrophobicContact CB-CD2 3.55Å; Q8-F56 HydrophobicContact CB-CE2 3.69Å; Q8-F56 HydrophobicContact CG-CD2 4.17Å; Q8-F56 HydrophobicContact CG-CE2 4.47Å; L9-F56 HydrophobicContact CG-CZ 4.3Å; I12-F56 HydrophobicContact CD1-CB 3.44Å; I12-F56 VanDerWaalsContact CD1-CB 3.44Å; I12-F56 HydrophobicContact CD1-CD1 4.14Å; I12-F56 HydrophobicContact CD1-CD2 4.18Å; I12-F56 HydrophobicContact CD1-CG 3.66Å; K52-F56 WeakPolarHBondContact O-CB 3.46Å; K52-F56 PolarHBondContact O-N 3.48Å; V53-F56 PolarHBondContact O-N 2.95Å; F56-Q58 VanDerWaalsContact C-N 3.35Å; F56-Q58 PolarHBondContact O-N 3.46Å; F56-E59 PolarHBondContact O-N 2.83Å; F56-L60 HydrophobicContact CE1-CD2 4.26Å; F56-L60 HydrophobicContact CZ-CD2 3.91Å; F56-L60 VanDerWaalsContact O-CB 3.28Å; F56-L60 WeakPolarHBondContact O-CB 3.12Å; F56-L60 PolarHBondContact O-N 3.46Å
57	A	86.4	Confident	79.6	Confident	0 Å²	0	79.6 Å²	79.6	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-62.6	-41	177.2	0	0	0	0	0	111.8	F37 I38 I41 V53 R55 W61	F37-A57 HydrophobicContact CD1-CB 3.83Å; F37-A57 HydrophobicContact CE1-CB 3.83Å; I38-A57 HydrophobicContact CD1-CB 4.41Å; I38-A57 HydrophobicContact CG1-CB 3.79Å; I41-A57 HydrophobicContact CD1-CB 4.26Å; V53-A57 VanDerWaalsContact O-CB 3.29Å; V53-A57 WeakPolarHBondContact O-CB 3.29Å; V53-A57 PolarHBondContact O-N 3.38Å; R55-A57 VanDerWaalsContact C-N 3.33Å; R55-A57 PolarHBondContact O-N 3.32Å; A57-W61 WeakPolarHBondContact O-CB 3.35Å; A57-W61 PolarHBondContact O-N 2.96Å
58	Q	87.1	Confident	78.3	Confident	97 Å²	97	86.8 Å²	86.8	45%	0.453	43%	0.429	S	S	.	.	H	α-helix	trans	-63.8	-45.8	174.2	-78.4	175.6	4.9	0	0	112.5	V34 S54 R55 F56 W61 Q62	V34-Q58 HydrophobicContact CG1-CG 3.7Å; S54-Q58 WeakPolarHBondContact O-CB 3.3Å; S54-Q58 WeakPolarHBondContact O-CG 3.45Å; S54-Q58 PolarHBondContact O-N 3.07Å; R55-Q58 PolarHBondContact O-N 2.8Å; F56-Q58 VanDerWaalsContact C-N 3.35Å; F56-Q58 PolarHBondContact O-N 3.46Å; Q58-W61 PolarHBondContact O-N 3.25Å; Q58-Q62 WeakPolarHBondContact O-CG 3.27Å; Q58-Q62 PolarHBondContact O-N 3.27Å
59	E	88.4	Confident	76.6	Confident	88 Å²	88	88.4 Å²	88.4	41%	0.411	44%	0.435	S	S	.	.	H	α-helix	trans	-68.8	-42.2	179.9	-75.7	-171.7	173.2	0	0	112.4	W4 R55 F56 W61 Q62 R63	W4-E59 HydrophobicContact CH2-CB 3.64Å; W4-E59 HydrophobicContact CZ2-CB 4.08Å; W4-E59 VanDerWaalsContact CZ2-OE2 3.24Å; W4-E59 WeakPolarHBondContact CZ2-OE2 3.41Å; R55-E59 PolarHBondContact O-N 3.35Å; F56-E59 PolarHBondContact O-N 2.83Å; E59-W61 VanDerWaalsContact C-N 3.3Å; E59-W61 PolarHBondContact O-N 2.89Å; E59-Q62 PolarHBondContact O-N 3.41Å; E59-R63 WeakPolarHBondContact O-CB 3.16Å; E59-R63 WeakPolarHBondContact O-CG 3.41Å; E59-R63 PolarHBondContact O-N 3.14Å
60	L	87.6	Confident	74.7	Confident	0 Å²	0	90.1 Å²	90.1	0%	0	45%	0.45	C	S	.	.	H	α-helix	trans	-60.7	-43.8	175.3	-179.2	57.2	0	0	0	110.7	M1 W4 V5 A28 F37 F56 Q62 R63 M64	M1-L60 HydrophobicContact SD-CD1 3.76Å; W4-L60 HydrophobicContact CZ3-CB 4.17Å; W4-L60 HydrophobicContact CZ3-CD1 4.18Å; V5-L60 HydrophobicContact CG2-CD1 3.47Å; V5-L60 VanDerWaalsContact CG2-CD1 3.47Å; V5-L60 HydrophobicContact CG2-CD2 4.41Å; A28-L60 HydrophobicContact CB-CD2 4.1Å; A28-L60 HydrophobicContact CB-CG 4.31Å; F37-L60 HydrophobicContact CE1-CD2 4.06Å; F37-L60 HydrophobicContact CZ-CD2 3.91Å; F56-L60 HydrophobicContact CE1-CD2 4.26Å; F56-L60 HydrophobicContact CZ-CD2 3.91Å; F56-L60 VanDerWaalsContact O-CB 3.28Å; F56-L60 WeakPolarHBondContact O-CB 3.12Å; F56-L60 PolarHBondContact O-N 3.46Å; L60-Q62 PolarHBondContact O-N 3.36Å; L60-R63 PolarHBondContact O-N 2.93Å; L60-M64 WeakPolarHBondContact O-CG 3.35Å; L60-M64 PolarHBondContact O-N 3.02Å
61	W	85.7	Confident	72.6	Confident	23 Å²	23	91.4 Å²	91.4	9%	0.087	46%	0.464	C	S	.	.	H	α-helix	trans	-65.7	-35.8	178.4	-176.8	-99.3	0	0	0	113.4	A28 A31 N32 V34 F37 A57 Q58 E59	A28-W61 WeakPolarHBondContact O-CZ3 3.19Å; A31-W61 HydrophobicContact CB-CH2 4.26Å; A31-W61 HydrophobicContact CB-CZ3 3.82Å; A31-W61 WeakPolarHBondContact O-CH2 3.43Å; A31-W61 WeakPolarHBondContact O-CZ3 3.21Å; N32-W61 VanDerWaalsContact C-CH2 3.49Å; N32-W61 WeakPolarHBondContact O-CZ2 3.5Å; V34-W61 HydrophobicContact CG2-CB 4.3Å; V34-W61 HydrophobicContact CG2-CD2 4.31Å; V34-W61 HydrophobicContact CG2-CG 3.73Å; V34-W61 VanDerWaalsContact CG2-NE1 3.31Å; F37-W61 HydrophobicContact CB-CE3 4.46Å; A57-W61 WeakPolarHBondContact O-CB 3.35Å; A57-W61 PolarHBondContact O-N 2.96Å; Q58-W61 PolarHBondContact O-N 3.25Å; E59-W61 VanDerWaalsContact C-N 3.3Å; E59-W61 PolarHBondContact O-N 2.89Å
62	Q	85	Confident	70.3	Confident	156 Å²	156	91 Å²	91	73%	0.729	47%	0.466	S	S	*	.	H	α-helix	trans	-72.1	-33.2	174.3	-75	179.8	10.7	0	0	112.9	Q58 E59 L60 M64	Q58-Q62 WeakPolarHBondContact O-CG 3.27Å; Q58-Q62 PolarHBondContact O-N 3.27Å; E59-Q62 PolarHBondContact O-N 3.41Å; L60-Q62 PolarHBondContact O-N 3.36Å; Q62-M64 VanDerWaalsContact C-N 3.27Å; Q62-M64 PolarHBondContact O-N 3.21Å
63	R	83.9	Confident	67.9	Low	139 Å²	139	89.7 Å²	89.7	53%	0.525	47%	0.471	S	S	.	.	H	α-helix	trans	-77.7	-10.9	178.8	-73.2	-179.3	176.1	-146.6	1.4	113.8	W4 E59 L60	W4-R63 VanDerWaalsContact CD2-NH1 3.33Å; E59-R63 WeakPolarHBondContact O-CB 3.16Å; E59-R63 WeakPolarHBondContact O-CG 3.41Å; E59-R63 PolarHBondContact O-N 3.14Å; L60-R63 PolarHBondContact O-N 2.93Å
64	M	78.5	Confident	65.4	Low	23 Å²	23	98.9 Å²	98.9	11%	0.113	51%	0.51	C	S	.	.	S	Bend	trans	-79.7	126.4	-177.6	-81.4	-104.7	-66.2	0	0	112.3	M1 A28 R29 L60 Q62 R66	M1-M64 HydrophobicContact CE-CG 4.15Å; M1-M64 HydrophobicContact CE-SD 3.89Å; M1-M64 HydrophobicContact SD-CG 4.46Å; M1-M64 HydrophobicContact SD-SD 4.46Å; A28-M64 HydrophobicContact CB-CE 3.78Å; A28-M64 HydrophobicContact CB-SD 4.33Å; A28-M64 WeakPolarHBondContact O-CE 3.29Å; R29-M64 HydrophobicContact CB-CE 4.11Å; R29-M64 HydrophobicContact CG-CE 3.48Å; R29-M64 VanDerWaalsContact CG-CE 3.48Å; R29-M64 HydrophobicContact CG-SD 4Å; L60-M64 WeakPolarHBondContact O-CG 3.35Å; L60-M64 PolarHBondContact O-N 3.02Å; Q62-M64 VanDerWaalsContact C-N 3.27Å; Q62-M64 PolarHBondContact O-N 3.21Å; M64-R66 PolarHBondContact O-N 3.46Å; M64-R66 VanDerWaalsContact O-N 3.1Å
65	P	73.5	Confident	63	Low	104 Å²	104	104.2 Å²	104.2	68%	0.675	54%	0.535	S	S	*	.			trans	-70	108	174.7	26.6	-30.8	0	0	0	110.2	V67	P65-V67 PolarHBondContact O-N 3.1Å
66	R	61.9	Low	60.6	Low	152 Å²	152	100.6 Å²	100.6	57%	0.574	53%	0.533	S	S	*	.			trans	-84.5	107.7	173.8	-68.1	-157.1	-168	178	25.1	111	M64 H68	M64-R66 PolarHBondContact O-N 3.46Å; M64-R66 VanDerWaalsContact O-N 3.1Å; R66-H68 PolarHBondContact O-N 3.44Å
67	V	50.6	Low	58.1	Low	138 Å²	138	110.7 Å²	110.7	84%	0.836	58%	0.577	S	S	*	*			trans	-64.2	115.4	169.1	-175.2	0	0	0	0	108.1	P65 S69	P65-V67 PolarHBondContact O-N 3.1Å; V67-S69 PolarHBondContact O-N 3.14Å; V67-S69 VanDerWaalsContact O-N 3.14Å
68	H	43.1	Very low	56	Low	176 Å²	176	113.6 Å²	113.6	82%	0.815	59%	0.594	S	S	*	*			trans	-62.4	113.2	172	-81.4	31.3	0	0	0	109.1	R66 S70	R66-H68 PolarHBondContact O-N 3.44Å; H68-S70 PolarHBondContact O-N 3.19Å
69	S	38.1	Very low	54.3	Low	107 Å²	107	112.5 Å²	112.5	75%	0.748	60%	0.598	S	S	*	*			trans	-76	104.8	174.9	57.4	0	0	0	0	110.2	V67	V67-S69 PolarHBondContact O-N 3.14Å; V67-S69 VanDerWaalsContact O-N 3.14Å
70	S	32.7	Very low	52.6	Low	99 Å²	99	111.8 Å²	111.8	69%	0.692	61%	0.607	S	S	*	*			trans	-59.7	155.5	154.3	40.5	0	0	0	0	110.5	H68 V72	H68-S70 PolarHBondContact O-N 3.19Å; S70-V72 PolarHBondContact O-N 3.27Å
71	P	35.6	Very low	51	Low	130 Å²	130	114.5 Å²	114.5	84%	0.844	63%	0.629	S	S	*	*			trans	-58.1	125.3	-166	-18.1	29.5	0	0	0	111.8	T73	P71-T73 PolarHBondContact O-N 3.44Å
72	V	34.2	Very low	49.7	Very low	124 Å²	124	119.9 Å²	119.9	75%	0.752	65%	0.649	S	S	*	*			trans	-65.8	101.7	-177.5	178.4	0	0	0	0	109.9	S70 K74	S70-V72 PolarHBondContact O-N 3.27Å; V72-K74 PolarHBondContact O-N 2.62Å
73	T	32.5	Very low	48.4	Very low	118 Å²	118	117 Å²	117	72%	0.724	64%	0.638	S	S	*	*			trans	-62.9	126.9	147.9	25.6	0	0	0	0	107.2	P71 I75	P71-T73 PolarHBondContact O-N 3.44Å; T73-I75 PolarHBondContact O-N 2.93Å
74	K	30.9	Very low	47.4	Very low	200 Å²	200	118 Å²	118	87%	0.87	64%	0.642	S	S	*	*			trans	-54	95.2	178.2	-72	176.5	176.7	176.4	0	110.1	V72	V72-K74 PolarHBondContact O-N 2.62Å
75	I	33.4	Very low	46.8	Very low	139 Å²	139	123 Å²	123	71%	0.713	67%	0.665	S	S	*	*			trans	-78.5	121.4	165.2	-59	171.2	0	0	0	105.6	T73 K77	T73-I75 PolarHBondContact O-N 2.93Å; I75-K77 PolarHBondContact O-N 3.49Å
76	P	35.4	Very low	46.4	Very low	92 Å²	92	123.8 Å²	123.8	60%	0.597	66%	0.66	S	S	*	*			trans	-61.1	140	177.1	-4.8	17	0	0	0	108.3	V78	P76-V78 VanDerWaalsContact C-N 3.33Å; P76-V78 VanDerWaalsContact O-CG2 3.26Å; P76-V78 WeakPolarHBondContact O-CG2 3.15Å; P76-V78 PolarHBondContact O-N 3.46Å
77	K	35.7	Very low	46.7	Very low	220 Å²	220	122.1 Å²	122.1	96%	0.957	66%	0.659	S	S	*	*			trans	-52.6	100.5	169.4	-74.6	-178.9	177.2	-179.8	0	108.4	I75 S79	I75-K77 PolarHBondContact O-N 3.49Å; K77-S79 PolarHBondContact O-N 2.77Å
78	V	42.4	Very low	47.3	Very low	60 Å²	60	121.5 Å²	121.5	36%	0.364	65%	0.646	S	S	.	*			trans	-79.6	116.3	178.4	177.3	0	0	0	0	106.7	P76 R82	P76-V78 VanDerWaalsContact C-N 3.33Å; P76-V78 VanDerWaalsContact O-CG2 3.26Å; P76-V78 WeakPolarHBondContact O-CG2 3.15Å; P76-V78 PolarHBondContact O-N 3.46Å; V78-R82 HydrophobicContact CG1-CB 3.17Å; V78-R82 HydrophobicContact CG1-CG 4.01Å
79	S	50.4	Low	48.5	Very low	75 Å²	75	121.6 Å²	121.6	52%	0.524	64%	0.639	S	S	.	*			trans	-58.1	148.8	176.5	53.7	0	0	0	0	110.5	K77 A81 R82 L83	K77-S79 PolarHBondContact O-N 2.77Å; S79-A81 PolarHBondContact O-N 3.49Å; S79-R82 PolarHBondContact O-N 2.84Å; S79-L83 PolarHBondContact O-N 2.83Å
80	A	53.3	Low	49.9	Very low	73 Å²	73	119.1 Å²	119.1	60%	0.603	63%	0.626	S	S	*	*	H	α-helix	trans	-50.4	-26.2	174.8	0	0	0	0	0	113	L83 R84	A80-L83 PolarHBondContact O-N 3.41Å; A80-R84 PolarHBondContact O-N 3.3Å
81	A	53.7	Low	51.5	Low	56 Å²	56	119.1 Å²	119.1	46%	0.463	62%	0.617	S	S	.	*	H	α-helix	trans	-61.4	-42.4	172.3	0	0	0	0	0	113.8	S79 L83 R84 E85	S79-A81 PolarHBondContact O-N 3.49Å; A81-L83 VanDerWaalsContact C-N 3.34Å; A81-R84 PolarHBondContact O-N 2.9Å; A81-E85 PolarHBondContact O-N 2.87Å
82	R	58.7	Low	52.8	Low	136 Å²	136	117.4 Å²	117.4	51%	0.513	60%	0.598	S	S	.	*	H	α-helix	trans	-73.2	-29	177.1	-125.1	-172.5	174.6	178.8	-3.7	112.1	V78 S79 R84 E85 E86	V78-R82 HydrophobicContact CG1-CB 3.17Å; V78-R82 HydrophobicContact CG1-CG 4.01Å; S79-R82 PolarHBondContact O-N 2.84Å; R82-R84 VanDerWaalsContact C-N 3.33Å; R82-E85 PolarHBondContact O-N 2.94Å; R82-E86 WeakPolarHBondContact O-CB 3.37Å; R82-E86 PolarHBondContact O-N 3.2Å
83	L	58.7	Low	54.3	Low	95 Å²	95	119.1 Å²	119.1	50%	0.497	60%	0.595	S	S	.	*	H	α-helix	trans	-69.7	-35.3	174.5	-152.6	119.4	0	0	0	110.6	S79 A80 A81 E86 Q87	S79-L83 PolarHBondContact O-N 2.83Å; A80-L83 PolarHBondContact O-N 3.41Å; A81-L83 VanDerWaalsContact C-N 3.34Å; L83-E86 PolarHBondContact O-N 3.2Å; L83-Q87 WeakPolarHBondContact O-CB 3.49Å; L83-Q87 VanDerWaalsContact O-CG 3.26Å; L83-Q87 WeakPolarHBondContact O-CG 3.27Å; L83-Q87 PolarHBondContact O-N 3.36Å
84	R	61.2	Low	55.3	Low	160 Å²	160	119.6 Å²	119.6	60%	0.604	58%	0.584	S	S	*	*	H	α-helix	trans	-67.3	-41.3	168.2	-72.6	-177.1	-170.2	164.9	3	112.3	A80 A81 R82 E86 Q87 H88	A80-R84 PolarHBondContact O-N 3.3Å; A81-R84 PolarHBondContact O-N 2.9Å; R82-R84 VanDerWaalsContact C-N 3.33Å; R84-E86 VanDerWaalsContact C-N 3.35Å; R84-E86 PolarHBondContact O-N 3.34Å; R84-Q87 PolarHBondContact O-N 2.86Å; R84-H88 WeakPolarHBondContact O-CB 3.42Å; R84-H88 PolarHBondContact O-N 3.01Å
85	E	67.1	Low	56.6	Low	128 Å²	128	114.1 Å²	114.1	60%	0.598	56%	0.564	S	S	*	*	H	α-helix	trans	-62.3	-39.5	172.2	-84.5	-174.8	140	0	0	112.3	A81 R82 H88 R89	A81-E85 PolarHBondContact O-N 2.87Å; R82-E85 PolarHBondContact O-N 2.94Å; E85-H88 PolarHBondContact O-N 3.27Å; E85-R89 WeakPolarHBondContact O-CB 3.47Å; E85-R89 PolarHBondContact O-N 3.26Å
86	E	64.1	Low	57.4	Low	122 Å²	122	117.5 Å²	117.5	57%	0.57	57%	0.568	S	S	*	*	H	α-helix	trans	-68.1	-39.2	174.9	-83.6	-176.9	167.9	0	0	111.6	R82 L83 R84 R89 A90	R82-E86 WeakPolarHBondContact O-CB 3.37Å; R82-E86 PolarHBondContact O-N 3.2Å; L83-E86 PolarHBondContact O-N 3.2Å; R84-E86 VanDerWaalsContact C-N 3.35Å; R84-E86 PolarHBondContact O-N 3.34Å; E86-R89 PolarHBondContact O-N 3.15Å; E86-A90 WeakPolarHBondContact O-CB 3.18Å; E86-A90 PolarHBondContact O-N 3.33Å
87	Q	68.7	Low	58.1	Low	117 Å²	117	116.9 Å²	116.9	55%	0.547	57%	0.566	S	S	.	*	H	α-helix	trans	-63.2	-41.7	171.4	-76.8	174.9	-8.6	0	0	111.3	L83 R84 A90 L91	L83-Q87 WeakPolarHBondContact O-CB 3.49Å; L83-Q87 VanDerWaalsContact O-CG 3.26Å; L83-Q87 WeakPolarHBondContact O-CG 3.27Å; L83-Q87 PolarHBondContact O-N 3.36Å; R84-Q87 PolarHBondContact O-N 2.86Å; Q87-A90 PolarHBondContact O-N 2.54Å; Q87-L91 WeakPolarHBondContact O-CB 3.44Å; Q87-L91 PolarHBondContact O-N 3.22Å
88	H	63	Low	58.5	Low	124 Å²	124	113.1 Å²	113.1	57%	0.574	55%	0.55	S	S	*	.	H	α-helix	trans	-66.1	-44	176.7	-161.6	-81.4	0	0	0	111.7	R84 E85 A90 L91 E92	R84-H88 WeakPolarHBondContact O-CB 3.42Å; R84-H88 PolarHBondContact O-N 3.01Å; E85-H88 PolarHBondContact O-N 3.27Å; H88-A90 VanDerWaalsContact C-N 3.34Å; H88-A90 PolarHBondContact O-N 3Å; H88-L91 PolarHBondContact O-N 3.37Å; H88-E92 IonicContact CE1-OE1 3.67Å; H88-E92 PolarHBondContact O-N 2.71Å
89	R	68.1	Low	58.1	Low	178 Å²	178	119.6 Å²	119.6	67%	0.672	57%	0.573	S	S	*	*	H	α-helix	trans	-66.1	-33.4	172.4	-90.8	-176.2	177.3	170.9	2.4	113	E85 E86 K93	E85-R89 WeakPolarHBondContact O-CB 3.47Å; E85-R89 PolarHBondContact O-N 3.26Å; E86-R89 PolarHBondContact O-N 3.15Å; R89-K93 WeakPolarHBondContact O-CB 3.45Å; R89-K93 WeakPolarHBondContact O-CG 3.03Å; R89-K93 PolarHBondContact O-N 3.49Å
90	A	68.9	Low	57.3	Low	56 Å²	56	124.4 Å²	124.4	46%	0.463	59%	0.589	S	S	.	*	H	α-helix	trans	-69.1	-39.4	174.6	0	0	0	0	0	110.4	E86 Q87 H88 K93 W94	E86-A90 WeakPolarHBondContact O-CB 3.18Å; E86-A90 PolarHBondContact O-N 3.33Å; Q87-A90 PolarHBondContact O-N 2.54Å; H88-A90 VanDerWaalsContact C-N 3.34Å; H88-A90 PolarHBondContact O-N 3Å; A90-K93 PolarHBondContact O-N 2.81Å; A90-W94 WeakPolarHBondContact O-CB 3.35Å; A90-W94 PolarHBondContact O-N 3.04Å
91	L	65.3	Low	56.5	Low	99 Å²	99	128.6 Å²	128.6	52%	0.518	60%	0.601	S	S	.	*	H	α-helix	trans	-65.2	-42.6	172.5	-128.9	124.7	0	0	0	111.3	Q87 H88 W94 N95	Q87-L91 WeakPolarHBondContact O-CB 3.44Å; Q87-L91 PolarHBondContact O-N 3.22Å; H88-L91 PolarHBondContact O-N 3.37Å; L91-W94 PolarHBondContact O-N 2.84Å; L91-N95 VanDerWaalsContact O-CB 3.31Å; L91-N95 WeakPolarHBondContact O-CB 3.42Å; L91-N95 PolarHBondContact O-N 3.01Å; L91-N95 PolarHBondContact O-ND2 3.09Å; L91-N95 PolarHBondContact O-OD1 3.32Å
92	E	62.7	Low	55.4	Low	93 Å²	93	131 Å²	131	44%	0.435	61%	0.611	S	S	.	*	H	α-helix	trans	-63.9	-40.7	172.9	-78.7	-175.2	159.6	0	0	112.7	H88 R96	H88-E92 IonicContact CE1-OE1 3.67Å; H88-E92 PolarHBondContact O-N 2.71Å; E92-R96 WeakPolarHBondContact O-CB 3.21Å; E92-R96 VanDerWaalsContact O-CG 3.28Å; E92-R96 WeakPolarHBondContact O-CG 3.31Å; E92-R96 PolarHBondContact O-N 3.12Å
93	K	66	Low	54.3	Low	160 Å²	160	132.6 Å²	132.6	70%	0.696	63%	0.63	S	S	*	*	H	α-helix	trans	-67.1	-37.7	173.9	-84.8	-175.8	176.5	-178.6	0	112	R89 A90 R96 S97	R89-K93 WeakPolarHBondContact O-CB 3.45Å; R89-K93 WeakPolarHBondContact O-CG 3.03Å; R89-K93 PolarHBondContact O-N 3.49Å; A90-K93 PolarHBondContact O-N 2.81Å; K93-R96 CarbonylContact O-C 3.6Å; K93-R96 PolarHBondContact O-N 2.85Å; K93-S97 WeakPolarHBondContact O-CB 3.37Å; K93-S97 PolarHBondContact O-N 3.34Å
94	W	53.7	Low	53.3	Low	128 Å²	128	134.8 Å²	134.8	49%	0.485	64%	0.643	S	S	.	*	H	α-helix	trans	-66.8	-43.5	176.1	-174.5	67.4	0	0	0	110.5	A90 L91 R96 S97 F98	A90-W94 WeakPolarHBondContact O-CB 3.35Å; A90-W94 PolarHBondContact O-N 3.04Å; L91-W94 PolarHBondContact O-N 2.84Å; W94-R96 VanDerWaalsContact C-N 3.34Å; W94-R96 PolarHBondContact O-N 3.06Å; W94-S97 WeakPolarHBondContact O-CB 3.18Å; W94-S97 PolarHBondContact O-N 3.11Å; W94-S97 PolarHBondContact O-OG 3.23Å; W94-F98 HydrophobicContact CD2-CE2 4.16Å; W94-F98 AromaticContact CE2-CE2 3.84Å; W94-F98 HydrophobicContact CE3-CE2 4.39Å; W94-F98 HydrophobicContact CH2-CE2 4.09Å; W94-F98 HydrophobicContact CH2-CZ 4.39Å; W94-F98 AromaticContact CZ2-CE2 3.82Å; W94-F98 HydrophobicContact CZ2-CE2 3.82Å; W94-F98 AromaticContact CZ2-CZ 3.96Å; W94-F98 HydrophobicContact CZ2-CZ 3.96Å; W94-F98 HydrophobicContact CZ3-CE2 4.36Å; W94-F98 WeakPolarHBondContact O-CD2 3.48Å
95	N	57.9	Low	52.1	Low	85 Å²	85	136.2 Å²	136.2	46%	0.455	66%	0.656	S	S	.	*	H	α-helix	trans	-63.1	-37.9	173.1	-68.8	-8.8	0	0	0	111.9	L91 S97	L91-N95 VanDerWaalsContact O-CB 3.31Å; L91-N95 WeakPolarHBondContact O-CB 3.42Å; L91-N95 PolarHBondContact O-N 3.01Å; L91-N95 PolarHBondContact O-ND2 3.09Å; L91-N95 PolarHBondContact O-OD1 3.32Å; N95-S97 VanDerWaalsContact C-N 3.27Å; N95-S97 PolarHBondContact O-N 2.94Å
96	R	51.1	Low	50.5	Low	211 Å²	211	135.1 Å²	135.1	80%	0.796	66%	0.663	S	S	*	*	H	α-helix	trans	-72.9	-14.6	172.5	-74.6	178.1	179.1	-163.7	1.3	114.1	E92 K93 W94	E92-R96 WeakPolarHBondContact O-CB 3.21Å; E92-R96 VanDerWaalsContact O-CG 3.28Å; E92-R96 WeakPolarHBondContact O-CG 3.31Å; E92-R96 PolarHBondContact O-N 3.12Å; K93-R96 CarbonylContact O-C 3.6Å; K93-R96 PolarHBondContact O-N 2.85Å; W94-R96 VanDerWaalsContact C-N 3.34Å; W94-R96 PolarHBondContact O-N 3.06Å
97	S	48.8	Very low	48.9	Very low	78 Å²	78	136.4 Å²	136.4	55%	0.545	67%	0.673	S	S	.	*	H	α-helix	trans	-84.5	-10.8	179	74.7	0	0	0	0	113.5	K93 W94 N95 K99	K93-S97 WeakPolarHBondContact O-CB 3.37Å; K93-S97 PolarHBondContact O-N 3.34Å; W94-S97 WeakPolarHBondContact O-CB 3.18Å; W94-S97 PolarHBondContact O-N 3.11Å; W94-S97 PolarHBondContact O-OG 3.23Å; N95-S97 VanDerWaalsContact C-N 3.27Å; N95-S97 PolarHBondContact O-N 2.94Å; S97-K99 VanDerWaalsContact C-N 3.31Å; S97-K99 PolarHBondContact O-N 2.98Å
98	F	43.8	Very low	47.2	Very low	141 Å²	141	140 Å²	140	62%	0.618	69%	0.69	S	S	*	*			trans	-75.4	87.8	165.1	-73.5	-79.4	0	0	0	109.5	W94 M100	W94-F98 HydrophobicContact CD2-CE2 4.16Å; W94-F98 AromaticContact CE2-CE2 3.84Å; W94-F98 HydrophobicContact CE3-CE2 4.39Å; W94-F98 HydrophobicContact CH2-CE2 4.09Å; W94-F98 HydrophobicContact CH2-CZ 4.39Å; W94-F98 AromaticContact CZ2-CE2 3.82Å; W94-F98 HydrophobicContact CZ2-CE2 3.82Å; W94-F98 AromaticContact CZ2-CZ 3.96Å; W94-F98 HydrophobicContact CZ2-CZ 3.96Å; W94-F98 HydrophobicContact CZ3-CE2 4.36Å; W94-F98 WeakPolarHBondContact O-CD2 3.48Å; F98-M100 PolarHBondContact O-N 3.49Å
99	K	35.3	Very low	45.5	Very low	197 Å²	197	142.5 Å²	142.5	86%	0.857	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-73.4	116.4	173	-147.2	178.1	-174.2	-173.5	0	108.1	S97 L101	S97-K99 VanDerWaalsContact C-N 3.31Å; S97-K99 PolarHBondContact O-N 2.98Å; K99-L101 PolarHBondContact O-N 3.48Å
100	M	33.9	Very low	43.6	Very low	175 Å²	175	142.2 Å²	142.2	86%	0.862	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-49.1	126.7	166.5	-76.9	-89.8	-74.7	0	0	109.3	F98	F98-M100 PolarHBondContact O-N 3.49Å
101	L	36.1	Very low	41.7	Very low	162 Å²	162	143.5 Å²	143.5	85%	0.848	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-61.3	128.2	167.9	-79.4	150.1	0	0	0	108.4	K99	K99-L101 PolarHBondContact O-N 3.48Å
102	P	30.4	Very low	40	Very low	106 Å²	106	146.6 Å²	146.6	69%	0.688	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-81.3	128.9	167	29.6	-23.2	0	0	0	108.7	D104	P102-D104 PolarHBondContact O-N 3.38Å
103	D	35.7	Very low	38.3	Very low	169 Å²	169	146.8 Å²	146.8	90%	0.904	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-70.2	124.4	165.8	-79.9	-29.1	0	0	0	109.1
104	D	37.9	Very low	36.5	Very low	142 Å²	142	145 Å²	145	76%	0.759	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-73.8	149.5	175.9	-89.2	-33.9	0	0	0	112.2	P102	P102-D104 PolarHBondContact O-N 3.38Å
105	Q	35.1	Very low	35.3	Very low	189 Å²	189	143.8 Å²	143.8	88%	0.883	76%	0.76	S	S	*	*			trans	86.3	119.9	162.5	-59.9	168.6	29.5	0	0	116.5
106	S	34.1	Very low	34.1	Very low	106 Å²	106	148 Å²	148	74%	0.741	77%	0.774	S	S	*	*			cis	-164.4	136.2	8.8	50	0	0	0	0	110.2
107	D	30	Very low	33.2	Very low	148 Å²	148	144.6 Å²	144.6	79%	0.791	77%	0.77	S	S	*	*			trans	-3.4	126.8	154.1	-47.5	-38	0	0	0	118.3
108	E	32.7	Very low	32.4	Very low	194 Å²	194	151.4 Å²	151.4	91%	0.907	78%	0.784	S	S	*	*				172.1	114.5	104.4	-89	-176.9	-178.7	0	0	112
109	E	27.9	Very low	31.8	Very low	176 Å²	176	150.7 Å²	150.7	82%	0.822	79%	0.786	S	S	*	*			trans	-7	146.2	154.5	-78.2	175.7	171.3	0	0	123.5
110	E	29.3	Very low	31.9	Very low	171 Å²	171	149.9 Å²	149.9	80%	0.799	79%	0.786	S	S	*	*			trans	96.9	106.6	135.2	-80.6	-176.4	-177.2	0	0	122.7
111	A	28.4	Very low	32	Very low	83 Å²	83	148.5 Å²	148.5	69%	0.686	78%	0.777	S	S	*	*				48.2	114.4	117.6	0	0	0	0	0	121.3
112	I	28.7	Very low	32.1	Very low	165 Å²	165	149.1 Å²	149.1	85%	0.846	78%	0.78	S	S	*	*				29.6	99.4	127.4	-49.2	171.8	0	0	0	116.4
113	S	27.6	Very low	32.3	Very low	96 Å²	96	154.7 Å²	154.7	67%	0.671	79%	0.787	S	S	*	*				155.9	135.6	114.4	61.2	0	0	0	0	113.5
114	T	28	Very low	32.2	Very low	123 Å²	123	156 Å²	156	76%	0.755	79%	0.785	S	S	*	*			trans	57.3	108.2	147.5	51	0	0	0	0	120.4
115	S	29.7	Very low	32	Very low	103 Å²	103	161.4 Å²	161.4	72%	0.72	80%	0.795	S	S	*	*				109.8	121.5	117.1	81.2	0	0	0	0	118.6
116	K	31.3	Very low	31.9	Very low	174 Å²	174	156.2 Å²	156.2	76%	0.757	78%	0.784	S	S	*	*			trans	87.5	110.3	138.8	-73.9	174.8	-179.5	174.7	0	120.7
117	I	32.7	Very low	31.7	Very low	138 Å²	138	157.8 Å²	157.8	71%	0.708	79%	0.79	S	S	*	*				75.4	120	123.2	-60.4	167.3	0	0	0	114.1
118	R	31.3	Very low	32	Very low	222 Å²	222	155.2 Å²	155.2	84%	0.838	79%	0.788	S	S	*	*				-173.1	133	53.6	-144.7	157.7	178.7	178.2	-3.7	112.3
119	N	32.6	Very low	32	Very low	125 Å²	125	153.3 Å²	153.3	67%	0.668	78%	0.784	S	S	*	*			trans	15.5	134.1	142.8	-61.4	-9.3	0	0	0	122.5
120	Q	36.6	Very low	32.4	Very low	181 Å²	181	150.6 Å²	150.6	85%	0.846	78%	0.78	S	S	*	*				-174.8	109.2	95	-95.8	175.4	-8.2	0	0	109.5
121	H	36.7	Very low	32.7	Very low	145 Å²	145	149.2 Å²	149.2	67%	0.671	78%	0.778	S	S	*	*				53	122.6	99.8	-68	-59.9	0	0	0	114.4
122	L	38.5	Very low	33.1	Very low	176 Å²	176	149.6 Å²	149.6	92%	0.921	78%	0.776	S	S	*	*				-161.7	166.1	63.9	-108	106.7	0	0	0	114.3
123	R	33.6	Very low	33.5	Very low	223 Å²	223	148 Å²	148	84%	0.842	77%	0.769	S	S	*	*			trans	-94.9	151.8	-158.8	-81.7	169.4	159.2	173.8	-6.5	116.8
124	K	33.5	Very low	34	Very low	195 Å²	195	150 Å²	150	85%	0.848	77%	0.772	S	S	*	*			trans	26.2	135.2	130.4	-66	-178.2	170.7	-176.5	0	120.1
125	R	34.3	Very low	34.4	Very low	257 Å²	257	151.9 Å²	151.9	97%	0.97	78%	0.777	S	S	*	*				-170.4	162.9	112.5	-117.7	175.3	164.8	173.4	-6.7	114.1
126	A	31.7	Very low	34.6	Very low	80 Å²	80	151.2 Å²	151.2	66%	0.661	78%	0.778	S	S	*	*			trans	-103.8	163	-162.1	0	0	0	0	0	114.5
127	T	31.5	Very low	34.8	Very low	139 Å²	139	149 Å²	149	85%	0.853	78%	0.784	S	S	*	*			trans	52.7	120.9	145.9	55.5	0	0	0	0	120.9
128	A	35.4	Very low	34.8	Very low	93 Å²	93	148.2 Å²	148.2	77%	0.769	79%	0.786	S	S	*	*				168.4	118.5	121.6	0	0	0	0	0	112.1
129	D	33.2	Very low	35.1	Very low	154 Å²	154	145.9 Å²	145.9	82%	0.824	79%	0.789	S	S	*	*				46.9	127.9	126.4	-74.6	-13.5	0	0	0	124.1
130	V	35.9	Very low	35	Very low	119 Å²	119	145.5 Å²	145.5	72%	0.721	79%	0.791	S	S	*	*				101.9	122	127.6	171.6	0	0	0	0	120.6
131	D	36.7	Very low	35.1	Very low	143 Å²	143	146.9 Å²	146.9	77%	0.765	80%	0.795	S	S	*	*			trans	70.8	112.2	147	-67.1	-11.2	0	0	0	124.9
132	S	35.7	Very low	34.8	Very low	91 Å²	91	147.3 Å²	147.3	64%	0.636	80%	0.802	S	S	*	*				84.5	134	108.8	100.5	0	0	0	0	123.5
133	D	37.7	Very low	34.6	Very low	131 Å²	131	145.9 Å²	145.9	70%	0.701	80%	0.801	S	S	*	*			trans	84.5	116.1	144	-52.1	-28.7	0	0	0	123.2
134	D	37.5	Very low	34.5	Very low	138 Å²	138	146.2 Å²	146.2	74%	0.738	80%	0.802	S	S	*	*				54.3	123.1	128.1	-59.6	-21.2	0	0	0	120.5
135	D	36.7	Very low	34.3	Very low	163 Å²	163	142.3 Å²	142.3	87%	0.872	80%	0.799	S	S	*	*				168.9	155.2	81.7	-124.6	-28.8	0	0	0	112.8
136	A	33.2	Very low	34.2	Very low	88 Å²	88	134.2 Å²	134.2	73%	0.727	79%	0.788	S	S	*	*			trans	-78.1	155.6	-172.1	0	0	0	0	0	115.4
137	S	36.6	Very low	34.1	Very low	127 Å²	127	135.6 Å²	135.6	89%	0.888	79%	0.792	S	S	*	*			trans	-170.1	144	133.2	46.9	0	0	0	0	114.7
138	V	32.6	Very low	34.1	Very low	122 Å²	122	134.5 Å²	134.5	74%	0.739	79%	0.786	S	S	*	*			trans	-82.7	136.3	-171.4	172.2	0	0	0	0	111.9
139	L	37.4	Very low	34	Very low	173 Å²	173	139.9 Å²	139.9	91%	0.906	79%	0.792	S	S	*	*			trans	-144.9	115.8	150.8	-81.7	178.7	0	0	0	111.6
140	T	30.9	Very low	34	Very low	118 Å²	118	139.8 Å²	139.8	72%	0.724	78%	0.784	S	S	*	*			trans	-89.7	137.5	169	32.4	0	0	0	0	109.7
141	F	37.5	Very low	33.8	Very low	209 Å²	209	139.1 Å²	139.1	92%	0.917	79%	0.785	S	S	*	*			trans	-148.6	114.7	153.1	-108.4	-80	0	0	0	111.1
142	N	30.4	Very low	33.9	Very low	154 Å²	154	141 Å²	141	82%	0.824	79%	0.786	S	S	*	*			trans	-65.2	138.7	168.6	-99.2	-28.1	0	0	0	111.1
143	T	35.3	Very low	34	Very low	146 Å²	146	139.5 Å²	139.5	90%	0.896	78%	0.779	S	S	*	*			trans	-152.7	139.2	138	33.8	0	0	0	0	111.4
144	R	31.2	Very low	34.1	Very low	230 Å²	230	136.9 Å²	136.9	87%	0.868	77%	0.765	S	S	*	*			trans	-81.5	151.6	-169.9	-76.1	171.6	156.9	168	-6.7	113.6
145	S	29.3	Very low	34.5	Very low	113 Å²	113	135.8 Å²	135.8	79%	0.79	76%	0.759	S	S	*	*			trans	61	108.7	137.1	66.3	0	0	0	0	119.7
146	A	31.7	Very low	34.8	Very low	88 Å²	88	133.8 Å²	133.8	73%	0.727	75%	0.748	S	S	*	*			trans	-167.6	125.3	134.5	0	0	0	0	0	108.8
147	S	29.6	Very low	35.2	Very low	108 Å²	108	132.1 Å²	132.1	76%	0.755	73%	0.731	S	S	*	*			trans	42.6	141.3	152	53.6	0	0	0	0	118.4
148	T	32.2	Very low	35.9	Very low	116 Å²	116	131 Å²	131	71%	0.712	72%	0.715	S	S	*	*				170.5	140.8	96.2	-61.2	0	0	0	0	108.1	K150	T148-K150 PolarHBondContact O-N 2.92Å
149	K	33.1	Very low	36.9	Very low	207 Å²	207	127.3 Å²	127.3	90%	0.9	70%	0.698	S	S	*	*			trans	-29	103.3	158.2	-67.2	166.6	173.1	175.5	0	113.3
150	K	32.1	Very low	37.6	Very low	152 Å²	152	125.7 Å²	125.7	66%	0.661	69%	0.685	S	S	*	*			trans	-147.7	109.6	163.1	-90.1	-173.8	172.5	-171.2	0	106.6	T148	T148-K150 PolarHBondContact O-N 2.92Å
151	S	33.1	Very low	39.2	Very low	105 Å²	105	124.3 Å²	124.3	73%	0.734	67%	0.673	S	S	*	*	S	Bend	trans	-152.3	35.2	175.7	71	0	0	0	0	112
152	K	38.2	Very low	40.5	Very low	181 Å²	181	120.2 Å²	120.2	79%	0.787	66%	0.657	S	S	*	*	S	Bend	trans	-145.7	-10.1	170.4	-86.4	-165.5	174	-175.5	0	114.1
153	A	37.8	Very low	42.1	Very low	60 Å²	60	117.5 Å²	117.5	50%	0.496	64%	0.641	S	S	.	*	S	Bend	trans	-100.2	-26.5	178.9	0	0	0	0	0	112.7	L156	A153-L156 PolarHBondContact O-N 2.88Å
154	D	40.1	Very low	43.9	Very low	77 Å²	77	116 Å²	116	41%	0.412	63%	0.627	S	S	.	*	H	α-helix	trans	-75.5	-28.5	178.3	-63.5	-15.4	0	0	0	111.6	L156 S157 D158	D154-L156 PolarHBondContact O-N 3.32Å; D154-S157 PolarHBondContact O-N 3.3Å; D154-S157 PolarHBondContact O-OG 3.49Å; D154-S157 VanDerWaalsContact O-OG 3.11Å; D154-D158 PolarHBondContact O-N 3.47Å; D154-D158 VanDerWaalsContact O-N 3.09Å
155	D	45.4	Very low	46	Very low	114 Å²	114	111.1 Å²	111.1	61%	0.61	61%	0.612	S	S	*	*	H	α-helix	trans	-65.8	-22.3	174.3	-65.8	-25.5	0	0	0	113	A159	D155-A159 WeakPolarHBondContact O-CB 3.4Å; D155-A159 PolarHBondContact O-N 3.18Å
156	L	42.5	Very low	48	Very low	121 Å²	121	108 Å²	108	63%	0.634	59%	0.586	S	S	*	*	H	α-helix	trans	-85	-36.1	178.4	-77.2	161.8	0	0	0	111.9	A153 D154 A159 E160	A153-L156 PolarHBondContact O-N 2.88Å; D154-L156 PolarHBondContact O-N 3.32Å; L156-A159 PolarHBondContact O-N 2.95Å; L156-E160 PolarHBondContact O-N 3.47Å; L156-E160 VanDerWaalsContact O-N 3.13Å
157	S	42.7	Very low	49.9	Very low	54 Å²	54	106.6 Å²	106.6	38%	0.378	57%	0.565	S	S	.	*	H	α-helix	trans	-72.2	-37.5	175	60.6	0	0	0	0	112.1	D154 A159 E160 D161	D154-S157 PolarHBondContact O-N 3.3Å; D154-S157 PolarHBondContact O-OG 3.49Å; D154-S157 VanDerWaalsContact O-OG 3.11Å; S157-A159 VanDerWaalsContact C-N 3.27Å; S157-A159 PolarHBondContact O-N 3.48Å; S157-E160 PolarHBondContact O-N 2.86Å; S157-D161 PolarHBondContact O-N 2.88Å
158	D	51.3	Low	52.1	Low	104 Å²	104	103.4 Å²	103.4	56%	0.556	54%	0.544	S	S	*	.	H	α-helix	trans	-66.4	-31.8	175.7	-75.5	-10.3	0	0	0	111.5	D154 E162	D154-D158 PolarHBondContact O-N 3.47Å; D154-D158 VanDerWaalsContact O-N 3.09Å; D158-E162 WeakPolarHBondContact O-CB 3.45Å; D158-E162 PolarHBondContact O-N 3.41Å
159	A	53.1	Low	54.1	Low	44 Å²	44	103.4 Å²	103.4	36%	0.364	54%	0.537	S	S	.	.	H	α-helix	trans	-73.4	-37.9	175.9	0	0	0	0	0	113.2	D155 L156 S157 E162 M163	D155-A159 WeakPolarHBondContact O-CB 3.4Å; D155-A159 PolarHBondContact O-N 3.18Å; L156-A159 PolarHBondContact O-N 2.95Å; S157-A159 VanDerWaalsContact C-N 3.27Å; S157-A159 PolarHBondContact O-N 3.48Å; A159-E162 PolarHBondContact O-N 3.42Å; A159-M163 WeakPolarHBondContact O-CB 3.33Å; A159-M163 VanDerWaalsContact O-CG 3.3Å; A159-M163 WeakPolarHBondContact O-CG 3.41Å; A159-M163 PolarHBondContact O-N 3Å
160	E	52.7	Low	56	Low	139 Å²	139	96.2 Å²	96.2	65%	0.65	50%	0.504	S	S	*	.	H	α-helix	trans	-63.8	-45.2	172.3	-75.2	-178.4	172.4	0	0	110.8	L156 S157 E162 M163 D164	L156-E160 PolarHBondContact O-N 3.47Å; L156-E160 VanDerWaalsContact O-N 3.13Å; S157-E160 PolarHBondContact O-N 2.86Å; E160-E162 VanDerWaalsContact C-N 3.3Å; E160-E162 PolarHBondContact O-N 3.29Å; E160-M163 PolarHBondContact O-N 2.99Å; E160-D164 PolarHBondContact O-N 3.02Å
161	D	63.7	Low	58.2	Low	88 Å²	88	92.1 Å²	92.1	47%	0.471	49%	0.491	S	S	.	.	H	α-helix	trans	-63.5	-33.2	176	-80.7	-12.9	0	0	0	112.9	S157 K165	S157-D161 PolarHBondContact O-N 2.88Å; D161-K165 WeakPolarHBondContact O-CD 3.44Å; D161-K165 WeakPolarHBondContact O-CG 3.18Å; D161-K165 PolarHBondContact O-N 3.06Å; D161-K165 VanDerWaalsContact O-N 3.14Å
162	E	65.5	Low	60.2	Low	123 Å²	123	94 Å²	94	58%	0.575	48%	0.482	S	S	*	.	H	α-helix	trans	-72.9	-41.9	175.8	-163.8	174.5	-162.7	0	0	111.5	D158 A159 E160 D164 K165 I166	D158-E162 WeakPolarHBondContact O-CB 3.45Å; D158-E162 PolarHBondContact O-N 3.41Å; A159-E162 PolarHBondContact O-N 3.42Å; E160-E162 VanDerWaalsContact C-N 3.3Å; E160-E162 PolarHBondContact O-N 3.29Å; E162-D164 PolarHBondContact O-N 3.49Å; E162-K165 PolarHBondContact O-N 3.45Å; E162-I166 HydrophobicContact CG-CD1 4.15Å; E162-I166 WeakPolarHBondContact O-CB 3.42Å; E162-I166 WeakPolarHBondContact O-CD1 3.3Å; E162-I166 WeakPolarHBondContact O-CG1 3.32Å; E162-I166 PolarHBondContact O-N 3.06Å
163	M	63.1	Low	62	Low	97 Å²	97	86.7 Å²	86.7	48%	0.478	45%	0.452	S	S	.	.	H	α-helix	trans	-63.7	-39.7	175	-75.1	-61.7	-60.8	0	0	112.4	A159 E160 I166 E167	A159-M163 WeakPolarHBondContact O-CB 3.33Å; A159-M163 VanDerWaalsContact O-CG 3.3Å; A159-M163 WeakPolarHBondContact O-CG 3.41Å; A159-M163 PolarHBondContact O-N 3Å; E160-M163 PolarHBondContact O-N 2.99Å; M163-I166 PolarHBondContact O-N 3.36Å; M163-I166 HydrophobicContact SD-CD1 4.42Å; M163-E167 PolarHBondContact O-N 3.18Å
164	D	73	Confident	63.7	Low	114 Å²	114	86.7 Å²	86.7	61%	0.61	44%	0.443	S	S	*	.	H	α-helix	trans	-67.1	-38.5	175.6	-79.2	-11.5	0	0	0	111.9	E160 E162 E167 A168	E160-D164 PolarHBondContact O-N 3.02Å; E162-D164 PolarHBondContact O-N 3.49Å; D164-E167 PolarHBondContact O-N 3.11Å; D164-A168 WeakPolarHBondContact O-CB 3.18Å; D164-A168 PolarHBondContact O-N 3.43Å
165	K	74.9	Confident	65.4	Low	129 Å²	129	89 Å²	89	56%	0.561	45%	0.452	S	S	*	.	H	α-helix	trans	-62	-44.9	172	-75.2	164.6	-167.3	159.4	0	111.3	D161 E162 A168 E169	D161-K165 WeakPolarHBondContact O-CD 3.44Å; D161-K165 WeakPolarHBondContact O-CG 3.18Å; D161-K165 PolarHBondContact O-N 3.06Å; D161-K165 VanDerWaalsContact O-N 3.14Å; E162-K165 PolarHBondContact O-N 3.45Å; K165-A168 PolarHBondContact O-N 3.32Å; K165-E169 WeakPolarHBondContact O-CB 3.47Å; K165-E169 WeakPolarHBondContact O-CG 3.11Å; K165-E169 PolarHBondContact O-N 3.24Å
166	I	71.6	Confident	66.8	Low	46 Å²	46	87.5 Å²	87.5	24%	0.236	44%	0.441	C	S	.	.	H	α-helix	trans	-62.9	-43.6	178.9	-72.8	166.7	0	0	0	111.1	E162 M163 E169 R170 H799	E162-I166 HydrophobicContact CG-CD1 4.15Å; E162-I166 WeakPolarHBondContact O-CB 3.42Å; E162-I166 WeakPolarHBondContact O-CD1 3.3Å; E162-I166 WeakPolarHBondContact O-CG1 3.32Å; E162-I166 PolarHBondContact O-N 3.06Å; M163-I166 PolarHBondContact O-N 3.36Å; M163-I166 HydrophobicContact SD-CD1 4.42Å; I166-E169 PolarHBondContact O-N 3.18Å; I166-R170 WeakPolarHBondContact O-CB 3.33Å; I166-R170 PolarHBondContact O-N 3.35Å; I166-H799 WeakPolarHBondContact CG2-CE1 3.45Å
167	E	72.8	Confident	68	Low	60 Å²	60	87 Å²	87	28%	0.28	43%	0.43	S	S	.	.	H	α-helix	trans	-70.6	-37.5	177.4	-166.6	65.7	-139.7	0	0	111.2	M163 D164 E169 R170 V171 R800	M163-E167 PolarHBondContact O-N 3.18Å; D164-E167 PolarHBondContact O-N 3.11Å; E167-E169 VanDerWaalsContact C-N 3.35Å; E167-E169 PolarHBondContact O-N 2.89Å; E167-R170 WeakPolarHBondContact O-CB 3.16Å; E167-R170 PolarHBondContact O-N 2.87Å; E167-R170 IonicContact OE1-CZ 2.81Å; E167-R170 IonicContact OE1-NH1 3.95Å; E167-R170 PolarHBondContact OE1-NH1 3.39Å; E167-R170 IonicContact OE2-NH1 2.77Å; E167-V171 WeakPolarHBondContact O-CG2 3.38Å; E167-V171 PolarHBondContact O-N 2.97Å; E167-R800 IonicContact OE2-CZ 3.95Å; E167-R800 VanDerWaalsContact OE2-CZ 3.26Å; E167-R800 IonicContact OE2-NH1 3.32Å; E167-R800 PolarHBondContact OE2-NH1 3.31Å; E167-R800 VanDerWaalsContact OE2-NH1 3.09Å; E167-R800 IonicContact OE2-NH2 2.72Å; E167-R800 PolarHBondContact OE2-NH2 3.41Å
168	A	75.2	Confident	69.5	Low	40 Å²	40	88.1 Å²	88.1	33%	0.331	43%	0.432	S	S	.	.	H	α-helix	trans	-64.5	-37.1	173.9	0	0	0	0	0	112.7	D164 K165 R172	D164-A168 WeakPolarHBondContact O-CB 3.18Å; D164-A168 PolarHBondContact O-N 3.43Å; K165-A168 PolarHBondContact O-N 3.32Å; A168-R172 WeakPolarHBondContact O-CB 3.32Å; A168-R172 WeakPolarHBondContact O-CG 3.43Å; A168-R172 PolarHBondContact O-N 2.9Å; A168-R172 PolarHBondContact O-NE 3.48Å
169	E	74.7	Confident	70.6	Confident	117 Å²	117	85.2 Å²	85.2	55%	0.547	42%	0.423	S	S	.	.	H	α-helix	trans	-64.5	-43	171.3	-78.4	-179.2	178.6	0	0	111.3	K165 I166 E167 R172 D173	K165-E169 WeakPolarHBondContact O-CB 3.47Å; K165-E169 WeakPolarHBondContact O-CG 3.11Å; K165-E169 PolarHBondContact O-N 3.24Å; I166-E169 PolarHBondContact O-N 3.18Å; E167-E169 VanDerWaalsContact C-N 3.35Å; E167-E169 PolarHBondContact O-N 2.89Å; E169-R172 PolarHBondContact O-N 2.7Å; E169-D173 VanDerWaalsContact O-CB 3.3Å; E169-D173 WeakPolarHBondContact O-CB 3.44Å; E169-D173 PolarHBondContact O-N 3.41Å
170	R	73.4	Confident	71.5	Confident	56 Å²	56	84 Å²	84	21%	0.211	41%	0.41	C	S	.	.	H	α-helix	trans	-61.9	-44	175.7	-177.1	179.5	178.6	-125.1	3.4	112.5	I166 E167 D173 L174 R800 E802	I166-R170 WeakPolarHBondContact O-CB 3.33Å; I166-R170 PolarHBondContact O-N 3.35Å; E167-R170 WeakPolarHBondContact O-CB 3.16Å; E167-R170 PolarHBondContact O-N 2.87Å; E167-R170 IonicContact OE1-CZ 2.81Å; E167-R170 IonicContact OE1-NH1 3.95Å; E167-R170 PolarHBondContact OE1-NH1 3.39Å; E167-R170 IonicContact OE2-NH1 2.77Å; R170-D173 WeakPolarHBondContact O-CB 3.38Å; R170-D173 PolarHBondContact O-N 3.26Å; R170-L174 HydrophobicContact CG-CD1 4.45Å; R170-L174 WeakPolarHBondContact O-CG 3.44Å; R170-L174 PolarHBondContact O-N 3.33Å; R170-R800 VanDerWaalsContact CZ-NH1 3.3Å; R170-E802 IonicContact CZ-OE1 2.82Å; R170-E802 IonicContact CZ-OE2 3.53Å; R170-E802 IonicContact NE-OE1 3.76Å; R170-E802 IonicContact NE-OE2 2.77Å; R170-E802 PolarHBondContact NE-OE2 3.02Å; R170-E802 IonicContact NH2-OE1 3.68Å; R170-E802 PolarHBondContact NH2-OE1 3.48Å; R170-E802 IonicContact NH2-OE2 3.4Å; R170-E802 PolarHBondContact NH2-OE2 3.4Å
171	V	77.2	Confident	72.4	Confident	65 Å²	65	79.2 Å²	79.2	39%	0.394	39%	0.394	S	S	.	.	H	α-helix	trans	-64.9	-42.4	177.3	172.7	0	0	0	0	110.9	E167 D173 L174 Q175	E167-V171 WeakPolarHBondContact O-CG2 3.38Å; E167-V171 PolarHBondContact O-N 2.97Å; V171-D173 VanDerWaalsContact C-N 3.31Å; V171-D173 PolarHBondContact O-N 2.73Å; V171-L174 PolarHBondContact O-N 3.46Å; V171-Q175 WeakPolarHBondContact O-CG 3.41Å; V171-Q175 PolarHBondContact O-N 3.36Å
172	R	76	Confident	72.8	Confident	144 Å²	144	80.9 Å²	80.9	54%	0.543	40%	0.399	S	S	.	.	H	α-helix	trans	-59.7	-43.2	172.6	-82	-177.1	-102.4	155.6	-5.7	111.5	A168 E169 L174 Q175 E176	A168-R172 WeakPolarHBondContact O-CB 3.32Å; A168-R172 WeakPolarHBondContact O-CG 3.43Å; A168-R172 PolarHBondContact O-N 2.9Å; A168-R172 PolarHBondContact O-NE 3.48Å; E169-R172 PolarHBondContact O-N 2.7Å; R172-L174 VanDerWaalsContact C-N 3.34Å; R172-L174 PolarHBondContact O-N 2.9Å; R172-Q175 PolarHBondContact O-N 2.97Å; R172-E176 WeakPolarHBondContact O-CB 3.47Å; R172-E176 WeakPolarHBondContact O-CG 3.46Å; R172-E176 PolarHBondContact O-N 3.41Å
173	D	74.8	Confident	73.2	Confident	29 Å²	29	79.5 Å²	79.5	16%	0.155	39%	0.389	C	S	.	.	H	α-helix	trans	-63.7	-36.7	178.7	-170.6	86	0	0	0	113	E169 R170 V171 R177 K805 R808	E169-D173 VanDerWaalsContact O-CB 3.3Å; E169-D173 WeakPolarHBondContact O-CB 3.44Å; E169-D173 PolarHBondContact O-N 3.41Å; R170-D173 WeakPolarHBondContact O-CB 3.38Å; R170-D173 PolarHBondContact O-N 3.26Å; V171-D173 VanDerWaalsContact C-N 3.31Å; V171-D173 PolarHBondContact O-N 2.73Å; D173-R177 PolarHBondContact O-N 3.27Å; D173-K805 WeakPolarHBondContact OD1-CA 3.47Å; D173-K805 WeakPolarHBondContact OD1-CB 3.46Å; D173-K805 PolarHBondContact OD1-N 3.4Å; D173-R808 PolarHBondContact O-NH1 2.89Å; D173-R808 IonicContact OD2-CZ 3.83Å; D173-R808 VanDerWaalsContact OD2-CZ 3.3Å; D173-R808 IonicContact OD2-NH1 3.09Å; D173-R808 PolarHBondContact OD2-NH1 3.46Å; D173-R808 IonicContact OD2-NH2 3.86Å; D173-R808 PolarHBondContact OD2-NH2 2.88Å
174	L	74.4	Confident	73.5	Confident	60 Å²	60	75.8 Å²	75.8	31%	0.314	37%	0.371	S	S	.	.	H	α-helix	trans	-69.5	-42.4	173.7	-72.1	170.4	0	0	0	112	R170 V171 R172 E176 R177 D178	R170-L174 HydrophobicContact CG-CD1 4.45Å; R170-L174 WeakPolarHBondContact O-CG 3.44Å; R170-L174 PolarHBondContact O-N 3.33Å; V171-L174 PolarHBondContact O-N 3.46Å; R172-L174 VanDerWaalsContact C-N 3.34Å; R172-L174 PolarHBondContact O-N 2.9Å; L174-E176 VanDerWaalsContact C-N 3.35Å; L174-R177 WeakPolarHBondContact O-CB 3.45Å; L174-R177 PolarHBondContact O-N 3.33Å; L174-R177 VanDerWaalsContact O-N 3.16Å; L174-D178 PolarHBondContact O-N 3.11Å
175	Q	75.1	Confident	73.3	Confident	126 Å²	126	76.9 Å²	76.9	59%	0.589	37%	0.37	S	S	*	.	H	α-helix	trans	-62.8	-43.7	175.2	-71.9	174.5	-5.5	0	0	111.5	V171 R172 R177 D178 A179	V171-Q175 WeakPolarHBondContact O-CG 3.41Å; V171-Q175 PolarHBondContact O-N 3.36Å; R172-Q175 PolarHBondContact O-N 2.97Å; Q175-R177 VanDerWaalsContact C-N 3.26Å; Q175-R177 PolarHBondContact O-N 3.41Å; Q175-D178 PolarHBondContact O-N 2.89Å; Q175-A179 WeakPolarHBondContact O-CB 3.28Å; Q175-A179 PolarHBondContact O-N 3.3Å
176	E	74.2	Confident	73	Confident	81 Å²	81	75.9 Å²	75.9	38%	0.379	37%	0.368	S	S	.	.	H	α-helix	trans	-66.5	-28	175	-71.9	-171.4	155.7	0	0	112.4	R172 L174 L180 K805	R172-E176 WeakPolarHBondContact O-CB 3.47Å; R172-E176 WeakPolarHBondContact O-CG 3.46Å; R172-E176 PolarHBondContact O-N 3.41Å; L174-E176 VanDerWaalsContact C-N 3.35Å; E176-L180 WeakPolarHBondContact O-CB 3.26Å; E176-L180 PolarHBondContact O-N 2.94Å; E176-K805 IonicContact OE1-NZ 3.25Å; E176-K805 PolarHBondContact OE1-NZ 3.38Å; E176-K805 WeakPolarHBondContact OE2-CD 3.04Å; E176-K805 WeakPolarHBondContact OE2-CE 3.12Å; E176-K805 IonicContact OE2-NZ 2.73Å; E176-K805 PolarHBondContact OE2-NZ 3.44Å
177	R	69.4	Low	72.8	Confident	111 Å²	111	76.6 Å²	76.6	42%	0.419	37%	0.369	S	S	.	.	H	α-helix	trans	-55.4	-55	171	-165	178.7	65.2	167.3	-0.8	110.9	D173 L174 Q175 A179 L180 A181 R808	D173-R177 PolarHBondContact O-N 3.27Å; L174-R177 WeakPolarHBondContact O-CB 3.45Å; L174-R177 PolarHBondContact O-N 3.33Å; L174-R177 VanDerWaalsContact O-N 3.16Å; Q175-R177 VanDerWaalsContact C-N 3.26Å; Q175-R177 PolarHBondContact O-N 3.41Å; R177-A179 VanDerWaalsContact C-N 3.31Å; R177-L180 PolarHBondContact O-N 3.38Å; R177-A181 WeakPolarHBondContact O-CB 3.47Å; R177-A181 PolarHBondContact O-N 2.94Å; R177-R808 VanDerWaalsContact CG-NH1 3.25Å
178	D	72.8	Confident	72.3	Confident	77 Å²	77	76.6 Å²	76.6	41%	0.412	37%	0.371	S	S	.	.	H	α-helix	trans	-71.8	-38.2	-169.2	-63.4	-13.5	0	0	0	107.9	L174 Q175 A181 E182	L174-D178 PolarHBondContact O-N 3.11Å; Q175-D178 PolarHBondContact O-N 2.89Å; D178-A181 PolarHBondContact O-N 3.38Å; D178-E182 WeakPolarHBondContact O-CB 3.26Å; D178-E182 WeakPolarHBondContact O-CG 3.47Å; D178-E182 PolarHBondContact O-N 2.85Å
179	A	75.8	Confident	71.6	Confident	44 Å²	44	81.9 Å²	81.9	36%	0.364	39%	0.386	S	S	.	.	H	α-helix	trans	-63.4	-41.4	170.9	0	0	0	0	0	113.7	Q175 R177 R183	Q175-A179 WeakPolarHBondContact O-CB 3.28Å; Q175-A179 PolarHBondContact O-N 3.3Å; R177-A179 VanDerWaalsContact C-N 3.31Å; A179-R183 WeakPolarHBondContact O-CB 3.32Å; A179-R183 VanDerWaalsContact O-CG 3.27Å; A179-R183 WeakPolarHBondContact O-CG 3.34Å; A179-R183 PolarHBondContact O-N 3.28Å; A179-R183 PolarHBondContact O-NE 3.4Å
180	L	71	Confident	70.8	Confident	18 Å²	18	82.4 Å²	82.4	9%	0.094	39%	0.389	C	S	.	.	H	α-helix	trans	-66.3	-46.1	175.9	-174	86.2	0	0	0	110.5	E176 R177 E182 R183 L184	E176-L180 WeakPolarHBondContact O-CB 3.26Å; E176-L180 PolarHBondContact O-N 2.94Å; R177-L180 PolarHBondContact O-N 3.38Å; L180-E182 VanDerWaalsContact C-N 3.32Å; L180-E182 PolarHBondContact O-N 3.47Å; L180-R183 PolarHBondContact O-N 3.01Å; L180-L184 HydrophobicContact CD2-CD1 4.09Å; L180-L184 HydrophobicContact CG-CD1 3.93Å; L180-L184 HydrophobicContact CG-CG 4.35Å; L180-L184 WeakPolarHBondContact O-CB 3.34Å; L180-L184 VanDerWaalsContact O-CG 3.26Å; L180-L184 WeakPolarHBondContact O-CG 3.43Å; L180-L184 PolarHBondContact O-N 2.85Å
181	A	70.8	Confident	69.8	Low	39 Å²	39	87.1 Å²	87.1	32%	0.322	41%	0.411	S	S	.	.	H	α-helix	trans	-62.4	-39.5	179	0	0	0	0	0	111.7	R177 D178 K185	R177-A181 WeakPolarHBondContact O-CB 3.47Å; R177-A181 PolarHBondContact O-N 2.94Å; D178-A181 PolarHBondContact O-N 3.38Å; A181-K185 WeakPolarHBondContact O-CB 3.28Å; A181-K185 VanDerWaalsContact O-CG 3.26Å; A181-K185 WeakPolarHBondContact O-CG 3.04Å; A181-K185 PolarHBondContact O-N 3.44Å
182	E	72.2	Confident	68.1	Low	123 Å²	123	88.8 Å²	88.8	58%	0.575	42%	0.422	S	S	*	.	H	α-helix	trans	-65.7	-44.6	173.3	-77.6	-176.9	177.3	0	0	112.3	D178 L180 K185 Q186	D178-E182 WeakPolarHBondContact O-CB 3.26Å; D178-E182 WeakPolarHBondContact O-CG 3.47Å; D178-E182 PolarHBondContact O-N 2.85Å; L180-E182 VanDerWaalsContact C-N 3.32Å; L180-E182 PolarHBondContact O-N 3.47Å; E182-K185 PolarHBondContact O-N 3.45Å; E182-Q186 WeakPolarHBondContact O-CB 3.44Å; E182-Q186 WeakPolarHBondContact O-CG 3.31Å; E182-Q186 PolarHBondContact O-N 3.06Å
183	R	75.6	Confident	65.9	Low	93 Å²	93	91.4 Å²	91.4	35%	0.351	43%	0.431	S	S	.	.	H	α-helix	trans	-63.8	-39.8	176.2	-75.7	-173.5	-63.9	159.2	6.1	112.5	A179 L180 Q186 K187 E921	A179-R183 WeakPolarHBondContact O-CB 3.32Å; A179-R183 VanDerWaalsContact O-CG 3.27Å; A179-R183 WeakPolarHBondContact O-CG 3.34Å; A179-R183 PolarHBondContact O-N 3.28Å; A179-R183 PolarHBondContact O-NE 3.4Å; L180-R183 PolarHBondContact O-N 3.01Å; R183-Q186 PolarHBondContact O-N 2.82Å; R183-K187 WeakPolarHBondContact O-CB 3.47Å; R183-K187 WeakPolarHBondContact O-CG 3.14Å; R183-K187 PolarHBondContact O-N 3.11Å; R183-E921 IonicContact CZ-OE1 3.4Å; R183-E921 IonicContact CZ-OE2 2.65Å; R183-E921 VanDerWaalsContact CZ-OE2 3.29Å; R183-E921 IonicContact NE-OE1 3.87Å; R183-E921 IonicContact NH1-OE1 2.67Å; R183-E921 PolarHBondContact NH1-OE1 2.86Å; R183-E921 IonicContact NH1-OE2 3.52Å; R183-E921 PolarHBondContact NH1-OE2 3.13Å; R183-E921 IonicContact NH2-OE2 3.86Å; R183-E921 PolarHBondContact NH2-OE2 3.16Å
184	L	68.9	Low	63.9	Low	20 Å²	20	97.3 Å²	97.3	11%	0.105	46%	0.458	C	S	.	.	H	α-helix	trans	-62.6	-48.8	173.9	-73.9	169.1	0	0	0	110.4	L180 Q186 K187 D188 R919	L180-L184 HydrophobicContact CD2-CD1 4.09Å; L180-L184 HydrophobicContact CG-CD1 3.93Å; L180-L184 HydrophobicContact CG-CG 4.35Å; L180-L184 WeakPolarHBondContact O-CB 3.34Å; L180-L184 VanDerWaalsContact O-CG 3.26Å; L180-L184 WeakPolarHBondContact O-CG 3.43Å; L180-L184 PolarHBondContact O-N 2.85Å; L184-Q186 VanDerWaalsContact C-N 3.28Å; L184-Q186 PolarHBondContact O-N 3.21Å; L184-K187 PolarHBondContact O-N 2.81Å; L184-D188 VanDerWaalsContact O-CB 3.28Å; L184-D188 WeakPolarHBondContact O-CB 3.36Å; L184-D188 PolarHBondContact O-N 3.04Å; L184-R919 HydrophobicContact CD2-CG 3.5Å; L184-R919 VanDerWaalsContact CD2-CG 3.5Å
185	K	69	Low	61.9	Low	137 Å²	137	100.2 Å²	100.2	60%	0.596	48%	0.478	S	S	*	.	H	α-helix	trans	-59.3	-37.3	174.4	-75.2	174	-177.4	178	0	112.4	A181 E182 K189	A181-K185 WeakPolarHBondContact O-CB 3.28Å; A181-K185 VanDerWaalsContact O-CG 3.26Å; A181-K185 WeakPolarHBondContact O-CG 3.04Å; A181-K185 PolarHBondContact O-N 3.44Å; E182-K185 PolarHBondContact O-N 3.45Å; K185-K189 VanDerWaalsContact O-CB 3.28Å; K185-K189 WeakPolarHBondContact O-CB 3.44Å; K185-K189 WeakPolarHBondContact O-CG 3.4Å; K185-K189 PolarHBondContact O-N 2.87Å
186	Q	67.8	Low	60	Low	108 Å²	108	98.7 Å²	98.7	51%	0.505	47%	0.473	S	S	.	.	H	α-helix	trans	-69	-48.2	175.9	-77.2	177.9	1.5	0	0	111.6	E182 R183 L184 D188 K189 E190	E182-Q186 WeakPolarHBondContact O-CB 3.44Å; E182-Q186 WeakPolarHBondContact O-CG 3.31Å; E182-Q186 PolarHBondContact O-N 3.06Å; R183-Q186 PolarHBondContact O-N 2.82Å; L184-Q186 VanDerWaalsContact C-N 3.28Å; L184-Q186 PolarHBondContact O-N 3.21Å; Q186-D188 VanDerWaalsContact C-N 3.29Å; Q186-D188 PolarHBondContact O-N 3.13Å; Q186-K189 CarbonylContact O-C 3.57Å; Q186-K189 WeakPolarHBondContact O-CA 3.28Å; Q186-K189 WeakPolarHBondContact O-CB 3.47Å; Q186-K189 PolarHBondContact O-N 3.45Å; Q186-K189 VanDerWaalsContact O-N 3.13Å; Q186-E190 WeakPolarHBondContact O-CB 3.27Å; Q186-E190 VanDerWaalsContact O-CG 3.29Å; Q186-E190 WeakPolarHBondContact O-CG 3.5Å; Q186-E190 PolarHBondContact O-N 3.24Å
187	K	67.4	Low	58.1	Low	60 Å²	60	101.8 Å²	101.8	26%	0.261	49%	0.487	S	S	.	.	H	α-helix	trans	-59.1	-41.9	174.6	-79.1	-174.6	176.2	-178.7	0	111.6	R183 L184 E190 K191 D918 R919 E921	R183-K187 WeakPolarHBondContact O-CB 3.47Å; R183-K187 WeakPolarHBondContact O-CG 3.14Å; R183-K187 PolarHBondContact O-N 3.11Å; L184-K187 PolarHBondContact O-N 2.81Å; K187-E190 PolarHBondContact O-N 2.88Å; K187-K191 WeakPolarHBondContact O-CB 3.43Å; K187-K191 PolarHBondContact O-N 3.38Å; K187-D918 PolarHBondContact NZ-O 3.44Å; K187-R919 PolarHBondContact NZ-O 2.93Å; K187-E921 IonicContact NZ-OE1 3.45Å
188	D	63.5	Low	56.7	Low	61 Å²	61	106.1 Å²	106.1	33%	0.326	51%	0.509	S	S	.	.	H	α-helix	trans	-63.7	-42.8	176.3	-68.9	-17.1	0	0	0	110	L184 Q186 T192 R919	L184-D188 VanDerWaalsContact O-CB 3.28Å; L184-D188 WeakPolarHBondContact O-CB 3.36Å; L184-D188 PolarHBondContact O-N 3.04Å; Q186-D188 VanDerWaalsContact C-N 3.29Å; Q186-D188 PolarHBondContact O-N 3.13Å; D188-T192 WeakPolarHBondContact O-CB 3.31Å; D188-T192 PolarHBondContact O-N 2.97Å; D188-T192 PolarHBondContact O-OG1 3.21Å; D188-R919 IonicContact OD1-CZ 3.78Å; D188-R919 IonicContact OD1-NE 3.9Å; D188-R919 IonicContact OD1-NH2 2.72Å; D188-R919 PolarHBondContact OD1-NH2 3.06Å; D188-R919 IonicContact OD2-CZ 3.56Å; D188-R919 IonicContact OD2-NH2 2.74Å; D188-R919 PolarHBondContact OD2-NH2 3.26Å
189	K	59.8	Low	55.3	Low	150 Å²	150	107.6 Å²	107.6	65%	0.652	52%	0.521	S	S	*	.	H	α-helix	trans	-64.2	-38.4	172.5	-78.4	173.6	-177	-178.2	0	114	K185 Q186 T192 R193	K185-K189 VanDerWaalsContact O-CB 3.28Å; K185-K189 WeakPolarHBondContact O-CB 3.44Å; K185-K189 WeakPolarHBondContact O-CG 3.4Å; K185-K189 PolarHBondContact O-N 2.87Å; Q186-K189 CarbonylContact O-C 3.57Å; Q186-K189 WeakPolarHBondContact O-CA 3.28Å; Q186-K189 WeakPolarHBondContact O-CB 3.47Å; Q186-K189 PolarHBondContact O-N 3.45Å; Q186-K189 VanDerWaalsContact O-N 3.13Å; K189-T192 WeakPolarHBondContact CA-OG1 3.37Å; K189-T192 CarbonylContact O-C 3.49Å; K189-T192 PolarHBondContact O-N 2.94Å; K189-T192 PolarHBondContact O-OG1 3.45Å; K189-R193 PolarHBondContact O-N 2.89Å
190	E	56.9	Low	54.1	Low	129 Å²	129	108.8 Å²	108.8	60%	0.603	52%	0.521	S	S	*	.	H	α-helix	trans	-73.8	-38.7	-179.5	-76.7	176.5	179.3	0	0	111.5	Q186 K187 R193	Q186-E190 WeakPolarHBondContact O-CB 3.27Å; Q186-E190 VanDerWaalsContact O-CG 3.29Å; Q186-E190 WeakPolarHBondContact O-CG 3.5Å; Q186-E190 PolarHBondContact O-N 3.24Å; K187-E190 PolarHBondContact O-N 2.88Å; E190-R193 VanDerWaalsContact O-CB 3.28Å; E190-R193 WeakPolarHBondContact O-CB 3.44Å; E190-R193 PolarHBondContact O-N 3.2Å; E190-R193 VanDerWaalsContact O-N 3.16Å
191	K	53.7	Low	53.1	Low	154 Å²	154	115.7 Å²	115.7	67%	0.67	55%	0.55	S	S	*	*	H	α-helix	trans	-70.7	-31.6	169.1	-76.3	-174.6	175.1	-178.5	0	111.7	K187 R193	K187-K191 WeakPolarHBondContact O-CB 3.43Å; K187-K191 PolarHBondContact O-N 3.38Å; K191-R193 PolarHBondContact O-N 3.35Å
192	T	40.9	Very low	52.1	Low	101 Å²	101	121.8 Å²	121.8	62%	0.62	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	25.1	165.8	48.7	0	0	0	0	113.4	D188 K189 H194	D188-T192 WeakPolarHBondContact O-CB 3.31Å; D188-T192 PolarHBondContact O-N 2.97Å; D188-T192 PolarHBondContact O-OG1 3.21Å; K189-T192 WeakPolarHBondContact CA-OG1 3.37Å; K189-T192 CarbonylContact O-C 3.49Å; K189-T192 PolarHBondContact O-N 2.94Å; K189-T192 PolarHBondContact O-OG1 3.45Å; T192-H194 PolarHBondContact O-N 3.37Å
193	R	30.3	Very low	51.2	Low	199 Å²	199	118.2 Å²	118.2	75%	0.751	56%	0.561	S	S	*	*	S	Bend	trans	-56.9	127.2	160.5	-98.6	-179	133.7	175.2	-1.8	108.5	K189 E190 K191 V195	K189-R193 PolarHBondContact O-N 2.89Å; E190-R193 VanDerWaalsContact O-CB 3.28Å; E190-R193 WeakPolarHBondContact O-CB 3.44Å; E190-R193 PolarHBondContact O-N 3.2Å; E190-R193 VanDerWaalsContact O-N 3.16Å; K191-R193 PolarHBondContact O-N 3.35Å; R193-V195 WeakPolarHBondContact O-CG2 3.27Å; R193-V195 PolarHBondContact O-N 2.94Å
194	H	32.8	Very low	49.9	Very low	152 Å²	152	119.4 Å²	119.4	70%	0.704	57%	0.567	S	S	*	*			trans	-51.7	73.5	174.5	-66.2	-81.5	0	0	0	113.8	T192 L196 E197	T192-H194 PolarHBondContact O-N 3.37Å; H194-L196 PolarHBondContact O-N 2.78Å; H194-L196 VanDerWaalsContact O-N 3.14Å; H194-E197 HydrophobicContact CB-CG 4.41Å
195	V	31.9	Very low	49.3	Very low	122 Å²	122	124.6 Å²	124.6	74%	0.739	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-11	174.5	177.9	0	0	0	0	111.5	R193	R193-V195 WeakPolarHBondContact O-CG2 3.27Å; R193-V195 PolarHBondContact O-N 2.94Å
196	L	34.2	Very low	48.7	Very low	93 Å²	93	122.7 Å²	122.7	49%	0.487	58%	0.583	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.4	-4.8	-171.4	-90.8	144.1	0	0	0	117	H194 D200	H194-L196 PolarHBondContact O-N 2.78Å; H194-L196 VanDerWaalsContact O-N 3.14Å; L196-D200 HydrophobicContact CD2-CB 3.86Å; L196-D200 VanDerWaalsContact CD2-OD2 3.26Å; L196-D200 WeakPolarHBondContact CD2-OD2 3.39Å
197	E	36	Very low	48	Very low	146 Å²	146	120.1 Å²	120.1	68%	0.682	58%	0.581	S	S	*	*	S	Bend	trans	-83.9	-13.2	-169.7	-82.7	-160.3	151.8	0	0	117.1	H194	H194-E197 HydrophobicContact CB-CG 4.41Å
198	K	39.7	Very low	47.7	Very low	202 Å²	202	118.7 Å²	118.7	88%	0.878	58%	0.58	S	S	*	*	S	Bend	trans	-130.2	-12.2	-177.1	-75.7	-175.1	179.3	175	0	117.7
199	V	42.5	Very low	47.4	Very low	109 Å²	109	122.8 Å²	122.8	66%	0.661	60%	0.595	S	S	*	*	S	Bend	trans	-113	-29.8	-172.8	-172.6	0	0	0	0	113
200	D	50.2	Low	47.3	Very low	69 Å²	69	122.8 Å²	122.8	37%	0.369	59%	0.591	S	S	.	*	H	α-helix	trans	-94.4	-12	-173.6	-77.1	-31.2	0	0	0	115.7	L196 K202 A203 Y204	L196-D200 HydrophobicContact CD2-CB 3.86Å; L196-D200 VanDerWaalsContact CD2-OD2 3.26Å; L196-D200 WeakPolarHBondContact CD2-OD2 3.39Å; D200-K202 PolarHBondContact O-N 3.04Å; D200-A203 PolarHBondContact O-N 3.05Å; D200-Y204 WeakPolarHBondContact O-CA 3.18Å; D200-Y204 WeakPolarHBondContact O-CB 3.31Å; D200-Y204 PolarHBondContact O-N 3.3Å
201	K	50.6	Low	47	Very low	162 Å²	162	120.6 Å²	120.6	70%	0.704	59%	0.59	S	S	*	*	H	α-helix	trans	-60.8	-35.8	174.3	-119.5	178	-175.6	174.3	0	111.6	E205	K201-E205 VanDerWaalsContact O-CB 3.22Å; K201-E205 WeakPolarHBondContact O-CB 3.44Å; K201-E205 VanDerWaalsContact O-CG 3.29Å; K201-E205 WeakPolarHBondContact O-CG 3.37Å; K201-E205 PolarHBondContact O-N 2.73Å
202	K	49.7	Very low	47.1	Very low	167 Å²	167	122.1 Å²	122.1	73%	0.726	59%	0.591	S	S	*	*	H	α-helix	trans	-77.4	-43.1	177.5	-135.2	178.5	-175.3	-177.9	0	111.7	D200 Y204 E205 E206	D200-K202 PolarHBondContact O-N 3.04Å; K202-Y204 VanDerWaalsContact C-N 3.31Å; K202-Y204 PolarHBondContact O-N 3.29Å; K202-E205 PolarHBondContact O-N 3.09Å; K202-E206 WeakPolarHBondContact O-CB 3.28Å; K202-E206 PolarHBondContact O-N 3.02Å
203	A	53	Low	47.6	Very low	48 Å²	48	121.6 Å²	121.6	40%	0.397	58%	0.584	S	S	.	*	H	α-helix	trans	-67.6	-31.2	175.3	0	0	0	0	0	112.4	D200 A207	D200-A203 PolarHBondContact O-N 3.05Å; A203-A207 WeakPolarHBondContact O-CA 3.38Å; A203-A207 WeakPolarHBondContact O-CB 3.14Å; A203-A207 PolarHBondContact O-N 3.25Å
204	Y	48.6	Very low	48.9	Very low	118 Å²	118	116.8 Å²	116.8	46%	0.463	57%	0.574	S	S	.	*	H	α-helix	trans	-79	-40.5	175.6	-175.3	-94.5	0	0	0	112	D200 K202 E206 A207 A208 R484	D200-Y204 WeakPolarHBondContact O-CA 3.18Å; D200-Y204 WeakPolarHBondContact O-CB 3.31Å; D200-Y204 PolarHBondContact O-N 3.3Å; K202-Y204 VanDerWaalsContact C-N 3.31Å; K202-Y204 PolarHBondContact O-N 3.29Å; Y204-E206 VanDerWaalsContact C-N 3.3Å; Y204-A207 PolarHBondContact O-N 2.84Å; Y204-A208 WeakPolarHBondContact O-CA 3.47Å; Y204-A208 WeakPolarHBondContact O-CB 3.45Å; Y204-A208 PolarHBondContact O-N 2.78Å; Y204-R484 VanDerWaalsContact CZ-NH1 3.27Å; Y204-R484 PolarHBondContact OH-NH1 3.49Å; Y204-R484 PolarHBondContact OH-NH2 3.18Å
205	E	56.4	Low	50.1	Low	129 Å²	129	111.8 Å²	111.8	60%	0.603	56%	0.559	S	S	*	*	H	α-helix	trans	-65.7	-34.1	168.9	-82.6	-179.6	173.4	0	0	111.6	K201 K202 K209	K201-E205 VanDerWaalsContact O-CB 3.22Å; K201-E205 WeakPolarHBondContact O-CB 3.44Å; K201-E205 VanDerWaalsContact O-CG 3.29Å; K201-E205 WeakPolarHBondContact O-CG 3.37Å; K201-E205 PolarHBondContact O-N 2.73Å; K202-E205 PolarHBondContact O-N 3.09Å; E205-K209 WeakPolarHBondContact O-CA 3.33Å; E205-K209 WeakPolarHBondContact O-CB 3.36Å; E205-K209 PolarHBondContact O-N 2.85Å
206	E	55.9	Low	51.3	Low	97 Å²	97	111.9 Å²	111.9	45%	0.453	55%	0.551	S	S	.	*	H	α-helix	trans	-77.3	-35.4	176.1	-162.9	-179.9	167.3	0	0	111.8	K202 Y204 R210	K202-E206 WeakPolarHBondContact O-CB 3.28Å; K202-E206 PolarHBondContact O-N 3.02Å; Y204-E206 VanDerWaalsContact C-N 3.3Å; E206-R210 WeakPolarHBondContact O-CA 3.34Å; E206-R210 WeakPolarHBondContact O-CB 3.38Å; E206-R210 WeakPolarHBondContact O-CG 3.3Å; E206-R210 PolarHBondContact O-N 3.28Å; E206-R210 IonicContact OE1-CZ 2.76Å; E206-R210 IonicContact OE1-NE 2.79Å; E206-R210 IonicContact OE1-NH2 3.58Å; E206-R210 PolarHBondContact OE1-NH2 2.79Å
207	A	54.2	Low	52.4	Low	55 Å²	55	111 Å²	111	46%	0.455	55%	0.547	S	S	.	.	H	α-helix	trans	-73.1	-34.9	171.5	0	0	0	0	0	111.9	A203 Y204 S211	A203-A207 WeakPolarHBondContact O-CA 3.38Å; A203-A207 WeakPolarHBondContact O-CB 3.14Å; A203-A207 PolarHBondContact O-N 3.25Å; Y204-A207 PolarHBondContact O-N 2.84Å; A207-S211 WeakPolarHBondContact O-CB 3.14Å; A207-S211 PolarHBondContact O-N 3.4Å
208	A	60.2	Low	53.4	Low	30 Å²	30	113 Å²	113	25%	0.248	55%	0.549	C	S	.	.	H	α-helix	trans	-73.9	-36.9	172.3	0	0	0	0	0	111.6	Y204 S211 R212	Y204-A208 WeakPolarHBondContact O-CA 3.47Å; Y204-A208 WeakPolarHBondContact O-CB 3.45Å; Y204-A208 PolarHBondContact O-N 2.78Å; A208-S211 PolarHBondContact O-N 3.01Å; A208-R212 WeakPolarHBondContact O-CB 3.17Å; A208-R212 VanDerWaalsContact O-CG 3.27Å; A208-R212 WeakPolarHBondContact O-CG 3.44Å; A208-R212 PolarHBondContact O-N 2.64Å
209	K	58.1	Low	54.5	Low	147 Å²	147	111 Å²	111	64%	0.639	54%	0.54	S	S	*	.	H	α-helix	trans	-65	-44.9	167.6	-96.3	-177.1	170.7	177.6	0	111.1	E205 S211 R212 L213	E205-K209 WeakPolarHBondContact O-CA 3.33Å; E205-K209 WeakPolarHBondContact O-CB 3.36Å; E205-K209 PolarHBondContact O-N 2.85Å; K209-S211 VanDerWaalsContact C-N 3.3Å; K209-S211 PolarHBondContact O-N 3.43Å; K209-R212 PolarHBondContact O-N 3.3Å; K209-L213 HydrophobicContact CB-CD1 4.42Å; K209-L213 WeakPolarHBondContact O-CB 3.48Å; K209-L213 WeakPolarHBondContact O-CG 3.18Å; K209-L213 PolarHBondContact O-N 3.37Å
210	R	56.5	Low	55.6	Low	150 Å²	150	113.1 Å²	113.1	57%	0.566	54%	0.542	S	S	*	.	H	α-helix	trans	-63.1	-36.1	174.2	-79.3	175.4	-171.9	-178.9	9	111.2	E206 N214	E206-R210 WeakPolarHBondContact O-CA 3.34Å; E206-R210 WeakPolarHBondContact O-CB 3.38Å; E206-R210 WeakPolarHBondContact O-CG 3.3Å; E206-R210 PolarHBondContact O-N 3.28Å; E206-R210 IonicContact OE1-CZ 2.76Å; E206-R210 IonicContact OE1-NE 2.79Å; E206-R210 IonicContact OE1-NH2 3.58Å; E206-R210 PolarHBondContact OE1-NH2 2.79Å; R210-N214 WeakPolarHBondContact O-CA 3.34Å; R210-N214 WeakPolarHBondContact O-CB 3.03Å; R210-N214 PolarHBondContact O-N 3.44Å; R210-N214 PolarHBondContact O-ND2 3.43Å
211	S	51.1	Low	56.4	Low	82 Å²	82	113.7 Å²	113.7	57%	0.573	55%	0.545	S	S	*	.	H	α-helix	trans	-76.6	-27	177	-162.1	0	0	0	0	112.9	A207 A208 K209 A215	A207-S211 WeakPolarHBondContact O-CB 3.14Å; A207-S211 PolarHBondContact O-N 3.4Å; A208-S211 PolarHBondContact O-N 3.01Å; K209-S211 VanDerWaalsContact C-N 3.3Å; K209-S211 PolarHBondContact O-N 3.43Å; S211-A215 WeakPolarHBondContact O-CB 3.49Å; S211-A215 PolarHBondContact O-N 2.97Å
212	R	56.9	Low	57.3	Low	186 Å²	186	109.7 Å²	109.7	70%	0.702	53%	0.531	S	S	*	.	H	α-helix	trans	-79.3	-46.7	171.6	-75.3	178.7	-168.6	-176.2	4.3	112	A208 K209 A215 E216	A208-R212 WeakPolarHBondContact O-CB 3.17Å; A208-R212 VanDerWaalsContact O-CG 3.27Å; A208-R212 WeakPolarHBondContact O-CG 3.44Å; A208-R212 PolarHBondContact O-N 2.64Å; K209-R212 PolarHBondContact O-N 3.3Å; R212-A215 WeakPolarHBondContact O-CB 3.14Å; R212-A215 PolarHBondContact O-N 3.39Å; R212-A215 VanDerWaalsContact O-N 3.09Å; R212-E216 PolarHBondContact O-N 2.85Å
213	L	50.7	Low	58.7	Low	90 Å²	90	105 Å²	105	47%	0.471	52%	0.517	S	S	.	.	H	α-helix	trans	-61.5	-45.8	172.8	-75.3	160.5	0	0	0	110.7	K209 A215 E216 D217	K209-L213 HydrophobicContact CB-CD1 4.42Å; K209-L213 WeakPolarHBondContact O-CB 3.48Å; K209-L213 WeakPolarHBondContact O-CG 3.18Å; K209-L213 PolarHBondContact O-N 3.37Å; L213-A215 PolarHBondContact O-N 2.88Å; L213-E216 PolarHBondContact O-N 2.79Å; L213-D217 VanDerWaalsContact O-CB 3.23Å; L213-D217 WeakPolarHBondContact O-CB 3.45Å; L213-D217 PolarHBondContact O-N 3.15Å
214	N	58	Low	59.8	Low	98 Å²	98	108.3 Å²	108.3	52%	0.524	52%	0.524	S	S	.	.	H	α-helix	trans	-65.2	-23.7	173.2	-75.6	-22.7	0	0	0	113.1	R210 R218	R210-N214 WeakPolarHBondContact O-CA 3.34Å; R210-N214 WeakPolarHBondContact O-CB 3.03Å; R210-N214 PolarHBondContact O-N 3.44Å; R210-N214 PolarHBondContact O-ND2 3.43Å; N214-R218 WeakPolarHBondContact O-CB 3.28Å; N214-R218 WeakPolarHBondContact O-CG 3.29Å; N214-R218 PolarHBondContact O-N 3.29Å
215	A	57.6	Low	61	Low	48 Å²	48	107 Å²	107	40%	0.397	53%	0.525	S	S	.	.	H	α-helix	trans	-82.4	-32.6	175.9	0	0	0	0	0	112.4	S211 R212 L213 K219	S211-A215 WeakPolarHBondContact O-CB 3.49Å; S211-A215 PolarHBondContact O-N 2.97Å; R212-A215 WeakPolarHBondContact O-CB 3.14Å; R212-A215 PolarHBondContact O-N 3.39Å; R212-A215 VanDerWaalsContact O-N 3.09Å; L213-A215 PolarHBondContact O-N 2.88Å; A215-K219 WeakPolarHBondContact O-CG 3.27Å; A215-K219 PolarHBondContact O-N 3.46Å
216	E	56.8	Low	62	Low	124 Å²	124	109.5 Å²	109.5	58%	0.579	53%	0.529	S	S	*	.	H	α-helix	trans	-74.2	-46.6	171.8	-72.9	174.1	171.5	0	0	110.6	R212 L213 R218 K219 E220	R212-E216 PolarHBondContact O-N 2.85Å; L213-E216 PolarHBondContact O-N 2.79Å; E216-R218 PolarHBondContact O-N 3.43Å; E216-K219 WeakPolarHBondContact O-CB 3.46Å; E216-K219 PolarHBondContact O-N 3.37Å; E216-E220 PolarHBondContact O-N 3.31Å
217	D	58.7	Low	63.1	Low	75 Å²	75	111.5 Å²	111.5	40%	0.401	54%	0.536	S	S	.	.	H	α-helix	trans	-63.6	-38.7	174.4	-69	-19.6	0	0	0	111.9	L213 K219 E220 L221	L213-D217 VanDerWaalsContact O-CB 3.23Å; L213-D217 WeakPolarHBondContact O-CB 3.45Å; L213-D217 PolarHBondContact O-N 3.15Å; D217-K219 VanDerWaalsContact C-N 3.27Å; D217-K219 PolarHBondContact O-N 3.28Å; D217-E220 PolarHBondContact O-N 3.37Å; D217-L221 HydrophobicContact CB-CD1 4.49Å; D217-L221 WeakPolarHBondContact O-CB 3.23Å; D217-L221 WeakPolarHBondContact O-CD1 3.46Å; D217-L221 PolarHBondContact O-N 3.15Å
218	R	55.4	Low	64.3	Low	188 Å²	188	114 Å²	114	71%	0.709	54%	0.538	S	S	*	.	H	α-helix	trans	-62.7	-32.6	172.7	-91.5	-178.5	165.7	-161	-2.7	112.4	N214 E216 E220 I222	N214-R218 WeakPolarHBondContact O-CB 3.28Å; N214-R218 WeakPolarHBondContact O-CG 3.29Å; N214-R218 PolarHBondContact O-N 3.29Å; E216-R218 PolarHBondContact O-N 3.43Å; R218-E220 VanDerWaalsContact C-N 3.35Å; R218-I222 VanDerWaalsContact O-CD1 3.28Å; R218-I222 WeakPolarHBondContact O-CD1 3.49Å; R218-I222 WeakPolarHBondContact O-CG1 3.08Å; R218-I222 PolarHBondContact O-N 2.9Å; R218-I222 VanDerWaalsContact O-N 3.07Å
219	K	64.4	Low	65.1	Low	159 Å²	159	116.5 Å²	116.5	69%	0.691	55%	0.553	S	S	*	*	H	α-helix	trans	-70	-33.9	177.5	-78	174.6	-178.7	177.2	0	111.6	A215 E216 D217 P223	A215-K219 WeakPolarHBondContact O-CG 3.27Å; A215-K219 PolarHBondContact O-N 3.46Å; E216-K219 WeakPolarHBondContact O-CB 3.46Å; E216-K219 PolarHBondContact O-N 3.37Å; D217-K219 VanDerWaalsContact C-N 3.27Å; D217-K219 PolarHBondContact O-N 3.28Å; K219-P223 VanDerWaalsContact O-CD 3.24Å; K219-P223 WeakPolarHBondContact O-CD 3.28Å
220	E	65.9	Low	66.2	Low	154 Å²	154	117.9 Å²	117.9	72%	0.72	56%	0.555	S	S	*	*	H	α-helix	trans	-79.3	-32.4	174.6	-64.7	-165.4	165.1	0	0	113.4	E216 D217 R218 P223	E216-E220 PolarHBondContact O-N 3.31Å; D217-E220 PolarHBondContact O-N 3.37Å; R218-E220 VanDerWaalsContact C-N 3.35Å; E220-P223 WeakPolarHBondContact O-CD 3.38Å
221	L	65.6	Low	67.4	Low	81 Å²	81	118.8 Å²	118.8	42%	0.424	56%	0.558	S	S	.	*	H	α-helix	trans	-75.4	-29.1	176.9	-100.9	118.4	0	0	0	114	D217 E224 L225	D217-L221 HydrophobicContact CB-CD1 4.49Å; D217-L221 WeakPolarHBondContact O-CB 3.23Å; D217-L221 WeakPolarHBondContact O-CD1 3.46Å; D217-L221 PolarHBondContact O-N 3.15Å; L221-E224 PolarHBondContact O-N 3.17Å; L221-E224 VanDerWaalsContact O-N 3.08Å; L221-L225 HydrophobicContact CB-CD1 4.33Å; L221-L225 HydrophobicContact CD2-CD1 4.19Å; L221-L225 HydrophobicContact CD2-CG 4.25Å; L221-L225 WeakPolarHBondContact O-CB 3.31Å; L221-L225 WeakPolarHBondContact O-CG 3.37Å; L221-L225 PolarHBondContact O-N 2.59Å
222	I	70.6	Confident	68.8	Low	78 Å²	78	119.3 Å²	119.3	40%	0.4	56%	0.555	S	S	.	*	H	α-helix	trans	-56.7	-45.7	-179.3	-77	160.4	0	0	0	112.4	R218 E224 R226	R218-I222 VanDerWaalsContact O-CD1 3.28Å; R218-I222 WeakPolarHBondContact O-CD1 3.49Å; R218-I222 WeakPolarHBondContact O-CG1 3.08Å; R218-I222 PolarHBondContact O-N 2.9Å; R218-I222 VanDerWaalsContact O-N 3.07Å; I222-E224 VanDerWaalsContact C-N 3.33Å; I222-E224 PolarHBondContact O-N 3.19Å; I222-R226 HydrophobicContact CG2-CG 4.38Å; I222-R226 VanDerWaalsContact O-CB 3.27Å; I222-R226 WeakPolarHBondContact O-CB 3.49Å; I222-R226 WeakPolarHBondContact O-CG 3.49Å; I222-R226 PolarHBondContact O-N 3.23Å
223	P	77.7	Confident	69.9	Low	68 Å²	68	116.6 Å²	116.6	44%	0.442	55%	0.545	S	S	.	.	H	α-helix	trans	-57.4	-40	172.4	-25.3	31	0	0	0	114	K219 E220 K227	K219-P223 VanDerWaalsContact O-CD 3.24Å; K219-P223 WeakPolarHBondContact O-CD 3.28Å; E220-P223 WeakPolarHBondContact O-CD 3.38Å; P223-K227 WeakPolarHBondContact O-CG 3.23Å; P223-K227 PolarHBondContact O-N 2.92Å
224	E	77	Confident	71.4	Confident	118 Å²	118	116.7 Å²	116.7	55%	0.551	55%	0.546	S	S	*	.	H	α-helix	trans	-73	-44.9	178.8	-74.7	-162.5	142.9	0	0	112.7	L221 I222 R226 K227 Q228	L221-E224 PolarHBondContact O-N 3.17Å; L221-E224 VanDerWaalsContact O-N 3.08Å; I222-E224 VanDerWaalsContact C-N 3.33Å; I222-E224 PolarHBondContact O-N 3.19Å; E224-R226 VanDerWaalsContact C-N 3.28Å; E224-R226 PolarHBondContact O-N 3.45Å; E224-K227 CarbonylContact O-C 3.54Å; E224-K227 WeakPolarHBondContact O-CA 3.29Å; E224-K227 WeakPolarHBondContact O-CB 3.48Å; E224-K227 PolarHBondContact O-N 3.25Å; E224-Q228 PolarHBondContact O-N 2.79Å
225	L	74.2	Confident	72.5	Confident	89 Å²	89	118.3 Å²	118.3	47%	0.466	55%	0.548	S	S	.	.	H	α-helix	trans	-61.6	-36.9	173.8	-73.3	169.8	0	0	0	111.2	L221 Q228 S229	L221-L225 HydrophobicContact CB-CD1 4.33Å; L221-L225 HydrophobicContact CD2-CD1 4.19Å; L221-L225 HydrophobicContact CD2-CG 4.25Å; L221-L225 WeakPolarHBondContact O-CB 3.31Å; L221-L225 WeakPolarHBondContact O-CG 3.37Å; L221-L225 PolarHBondContact O-N 2.59Å; L225-Q228 PolarHBondContact O-N 3.46Å; L225-S229 WeakPolarHBondContact O-CB 3.4Å; L225-S229 PolarHBondContact O-N 2.87Å
226	R	77.2	Confident	73.7	Confident	183 Å²	183	122.7 Å²	122.7	69%	0.691	56%	0.558	S	S	*	*	H	α-helix	trans	-63.6	-39.7	170.6	-77.9	175.7	179.3	-178.5	2	111.9	I222 E224 R230	I222-R226 HydrophobicContact CG2-CG 4.38Å; I222-R226 VanDerWaalsContact O-CB 3.27Å; I222-R226 WeakPolarHBondContact O-CB 3.49Å; I222-R226 WeakPolarHBondContact O-CG 3.49Å; I222-R226 PolarHBondContact O-N 3.23Å; E224-R226 VanDerWaalsContact C-N 3.28Å; E224-R226 PolarHBondContact O-N 3.45Å; R226-R230 WeakPolarHBondContact O-CB 3.46Å; R226-R230 PolarHBondContact O-N 3.28Å
227	K	79.1	Confident	75	Confident	139 Å²	139	122.6 Å²	122.6	60%	0.604	55%	0.553	S	S	*	*	H	α-helix	trans	-65.9	-41.9	174.2	-76.4	174.1	-177	173.6	0	111.5	P223 E224 R230 R231	P223-K227 WeakPolarHBondContact O-CG 3.23Å; P223-K227 PolarHBondContact O-N 2.92Å; E224-K227 CarbonylContact O-C 3.54Å; E224-K227 WeakPolarHBondContact O-CA 3.29Å; E224-K227 WeakPolarHBondContact O-CB 3.48Å; E224-K227 PolarHBondContact O-N 3.25Å; K227-R230 PolarHBondContact O-N 3.24Å; K227-R231 WeakPolarHBondContact O-CG 3.49Å; K227-R231 PolarHBondContact O-N 2.97Å
228	Q	78.6	Confident	76.1	Confident	108 Å²	108	123.4 Å²	123.4	51%	0.505	55%	0.554	S	S	.	*	H	α-helix	trans	-65.1	-52.8	176.4	-73.9	-176.9	-4	0	0	111.3	E224 L225 R230 R231 D232	E224-Q228 PolarHBondContact O-N 2.79Å; L225-Q228 PolarHBondContact O-N 3.46Å; Q228-R230 PolarHBondContact O-N 3.45Å; Q228-R231 WeakPolarHBondContact O-CA 3.37Å; Q228-R231 WeakPolarHBondContact O-CB 3.4Å; Q228-R231 PolarHBondContact O-N 3.23Å; Q228-D232 PolarHBondContact O-N 2.94Å
229	S	76.6	Confident	77.5	Confident	81 Å²	81	117.3 Å²	117.3	57%	0.566	54%	0.537	S	S	*	.	H	α-helix	trans	-54.8	-40.1	174.5	175.6	0	0	0	0	111.9	L225 D232 Y233	L225-S229 WeakPolarHBondContact O-CB 3.4Å; L225-S229 PolarHBondContact O-N 2.87Å; S229-D232 PolarHBondContact O-N 3.19Å; S229-Y233 VanDerWaalsContact O-CB 3.23Å; S229-Y233 WeakPolarHBondContact O-CB 3.44Å; S229-Y233 PolarHBondContact O-N 3.29Å
230	R	81.9	Confident	78.5	Confident	177 Å²	177	113.4 Å²	113.4	67%	0.668	52%	0.524	S	S	*	.	H	α-helix	trans	-66.4	-38.7	174.4	-176	167.1	177.1	151.2	-2.2	112.8	R226 K227 Q228 L234	R226-R230 WeakPolarHBondContact O-CB 3.46Å; R226-R230 PolarHBondContact O-N 3.28Å; K227-R230 PolarHBondContact O-N 3.24Å; Q228-R230 PolarHBondContact O-N 3.45Å; R230-L234 HydrophobicContact CG-CD1 4.18Å; R230-L234 HydrophobicContact CG-CG 4.46Å; R230-L234 WeakPolarHBondContact O-CB 3.46Å; R230-L234 WeakPolarHBondContact O-CG 3.42Å; R230-L234 PolarHBondContact O-N 3.31Å
231	R	80.9	Confident	79.5	Confident	169 Å²	169	111 Å²	111	64%	0.638	51%	0.511	S	S	*	.	H	α-helix	trans	-63.4	-43	175.2	-75.4	171.6	177.3	179.5	0.1	111.1	K227 Q228 L234 K235	K227-R231 WeakPolarHBondContact O-CG 3.49Å; K227-R231 PolarHBondContact O-N 2.97Å; Q228-R231 WeakPolarHBondContact O-CA 3.37Å; Q228-R231 WeakPolarHBondContact O-CB 3.4Å; Q228-R231 PolarHBondContact O-N 3.23Å; R231-L234 PolarHBondContact O-N 3.43Å; R231-K235 WeakPolarHBondContact O-CG 3.46Å; R231-K235 PolarHBondContact O-N 3.42Å; R231-K235 VanDerWaalsContact O-N 3.13Å
232	D	80.7	Confident	80.5	Confident	93 Å²	93	108.6 Å²	108.6	50%	0.497	50%	0.498	S	S	.	.	H	α-helix	trans	-72.1	-39.1	179.7	-64	-28.1	0	0	0	111.8	Q228 S229 L234 K235 K236	Q228-D232 PolarHBondContact O-N 2.94Å; S229-D232 PolarHBondContact O-N 3.19Å; D232-L234 VanDerWaalsContact C-N 3.33Å; D232-L234 PolarHBondContact O-N 2.91Å; D232-K235 PolarHBondContact O-N 3.48Å; D232-K235 IonicContact OD1-NZ 3.56Å; D232-K236 PolarHBondContact O-N 2.98Å
233	Y	80.3	Confident	81.3	Confident	129 Å²	129	110 Å²	110	51%	0.506	50%	0.503	S	S	.	.	H	α-helix	trans	-59.5	-41.9	170.8	173.5	-101.7	0	0	0	112.2	S229 K236 R237	S229-Y233 VanDerWaalsContact O-CB 3.23Å; S229-Y233 WeakPolarHBondContact O-CB 3.44Å; S229-Y233 PolarHBondContact O-N 3.29Å; Y233-K236 PolarHBondContact O-N 2.78Å; Y233-R237 HydrophobicContact CE1-CB 4.48Å; Y233-R237 WeakPolarHBondContact O-CB 3.34Å; Y233-R237 PolarHBondContact O-N 3.05Å; Y233-R237 PolarHBondContact OH-NH1 3.23Å
234	L	81.8	Confident	81.8	Confident	91 Å²	91	111.8 Å²	111.8	48%	0.476	51%	0.506	S	S	.	.	H	α-helix	trans	-65.4	-40.4	178.5	-76	170.7	0	0	0	112	R230 R231 D232 R237 E238	R230-L234 HydrophobicContact CG-CD1 4.18Å; R230-L234 HydrophobicContact CG-CG 4.46Å; R230-L234 WeakPolarHBondContact O-CB 3.46Å; R230-L234 WeakPolarHBondContact O-CG 3.42Å; R230-L234 PolarHBondContact O-N 3.31Å; R231-L234 PolarHBondContact O-N 3.43Å; D232-L234 VanDerWaalsContact C-N 3.33Å; D232-L234 PolarHBondContact O-N 2.91Å; L234-R237 PolarHBondContact O-N 3.27Å; L234-E238 WeakPolarHBondContact O-CB 3.46Å; L234-E238 PolarHBondContact O-N 3.15Å
235	K	80.9	Confident	82.5	Confident	133 Å²	133	108.2 Å²	108.2	58%	0.578	49%	0.49	S	S	*	.	H	α-helix	trans	-61.5	-47.4	173.7	-70.4	173.7	-174.6	166.5	0	111.5	R231 D232 E238 V239	R231-K235 WeakPolarHBondContact O-CG 3.46Å; R231-K235 PolarHBondContact O-N 3.42Å; R231-K235 VanDerWaalsContact O-N 3.13Å; D232-K235 PolarHBondContact O-N 3.48Å; D232-K235 IonicContact OD1-NZ 3.56Å; K235-E238 PolarHBondContact O-N 3.01Å; K235-V239 PolarHBondContact O-N 3.33Å
236	K	82.8	Confident	83.1	Confident	140 Å²	140	107.2 Å²	107.2	61%	0.609	48%	0.483	S	S	*	.	H	α-helix	trans	-62.8	-45.5	178.2	-170.6	174.5	179.5	175.9	0	111.2	D232 Y233 E238 V239 D240	D232-K236 PolarHBondContact O-N 2.98Å; Y233-K236 PolarHBondContact O-N 2.78Å; K236-E238 VanDerWaalsContact C-N 3.33Å; K236-E238 PolarHBondContact O-N 3.46Å; K236-V239 WeakPolarHBondContact O-CB 3.44Å; K236-V239 PolarHBondContact O-N 2.88Å; K236-V239 VanDerWaalsContact O-N 3.13Å; K236-D240 VanDerWaalsContact O-CG 3.27Å; K236-D240 PolarHBondContact O-N 3.46Å
237	R	84.2	Confident	83.7	Confident	122 Å²	122	103.5 Å²	103.5	46%	0.46	48%	0.476	S	S	.	.	H	α-helix	trans	-63.1	-35.4	178.7	-172.8	177.5	-174.5	170.3	-1.2	113.1	Y233 L234 V239 K241	Y233-R237 HydrophobicContact CE1-CB 4.48Å; Y233-R237 WeakPolarHBondContact O-CB 3.34Å; Y233-R237 PolarHBondContact O-N 3.05Å; Y233-R237 PolarHBondContact OH-NH1 3.23Å; L234-R237 PolarHBondContact O-N 3.27Å; R237-V239 VanDerWaalsContact C-N 3.34Å; R237-K241 HydrophobicContact CG-CG 4.36Å; R237-K241 VanDerWaalsContact O-CB 3.27Å; R237-K241 WeakPolarHBondContact O-CB 3.3Å; R237-K241 WeakPolarHBondContact O-CG 3.49Å; R237-K241 PolarHBondContact O-N 3.44Å
238	E	82.3	Confident	84.1	Confident	92 Å²	92	98.6 Å²	98.6	43%	0.43	46%	0.462	S	S	.	.	H	α-helix	trans	-62.7	-42.2	174.4	-171.5	-168.5	151.3	0	0	111.1	L234 K235 K236 L242 K283	L234-E238 WeakPolarHBondContact O-CB 3.46Å; L234-E238 PolarHBondContact O-N 3.15Å; K235-E238 PolarHBondContact O-N 3.01Å; K236-E238 VanDerWaalsContact C-N 3.33Å; K236-E238 PolarHBondContact O-N 3.46Å; E238-L242 HydrophobicContact CG-CD1 4.4Å; E238-L242 WeakPolarHBondContact O-CG 3.35Å; E238-L242 PolarHBondContact O-N 3.32Å; E238-L242 VanDerWaalsContact O-N 3.13Å; E238-K283 WeakPolarHBondContact OE1-CE 3.38Å
239	V	84.5	Confident	84.6	Confident	59 Å²	59	94.4 Å²	94.4	36%	0.358	44%	0.443	S	S	.	.	H	α-helix	trans	-64.9	-53	175.3	177.5	0	0	0	0	110.5	K235 K236 R237 K241 L242 E243	K235-V239 PolarHBondContact O-N 3.33Å; K236-V239 WeakPolarHBondContact O-CB 3.44Å; K236-V239 PolarHBondContact O-N 2.88Å; K236-V239 VanDerWaalsContact O-N 3.13Å; R237-V239 VanDerWaalsContact C-N 3.34Å; V239-K241 VanDerWaalsContact C-N 3.27Å; V239-K241 PolarHBondContact O-N 2.89Å; V239-L242 PolarHBondContact O-N 3.12Å; V239-E243 PolarHBondContact O-N 3.22Å
240	D	85.9	Confident	85	Confident	78 Å²	78	95.9 Å²	95.9	42%	0.417	44%	0.444	S	S	.	.	H	α-helix	trans	-56.9	-41.3	-179.3	-62.3	-13.5	0	0	0	111.5	K236 E243 E244	K236-D240 VanDerWaalsContact O-CG 3.27Å; K236-D240 PolarHBondContact O-N 3.46Å; D240-E243 PolarHBondContact O-N 3.32Å; D240-E244 VanDerWaalsContact O-CB 3.3Å; D240-E244 WeakPolarHBondContact O-CB 3.47Å; D240-E244 PolarHBondContact O-N 2.91Å
241	K	86.9	Confident	85.2	Confident	104 Å²	104	91.7 Å²	91.7	45%	0.452	44%	0.435	S	S	.	.	H	α-helix	trans	-70.8	-31.9	179.1	-81.4	-72.9	169.7	-157.2	0	113.4	R237 V239 E244 L245	R237-K241 HydrophobicContact CG-CG 4.36Å; R237-K241 VanDerWaalsContact O-CB 3.27Å; R237-K241 WeakPolarHBondContact O-CB 3.3Å; R237-K241 WeakPolarHBondContact O-CG 3.49Å; R237-K241 PolarHBondContact O-N 3.44Å; V239-K241 VanDerWaalsContact C-N 3.27Å; V239-K241 PolarHBondContact O-N 2.89Å; K241-E244 WeakPolarHBondContact CD-OE2 3.36Å; K241-E244 WeakPolarHBondContact CE-OE2 3.46Å; K241-E244 IonicContact NZ-OE1 2.72Å; K241-E244 PolarHBondContact NZ-OE1 3.46Å; K241-E244 IonicContact NZ-OE2 3.34Å; K241-E244 PolarHBondContact NZ-OE2 3.01Å; K241-L245 VanDerWaalsContact O-CB 3.29Å; K241-L245 WeakPolarHBondContact O-CB 3.46Å; K241-L245 PolarHBondContact O-N 3.05Å; K241-L245 VanDerWaalsContact O-N 3.08Å
242	L	86.9	Confident	85.3	Confident	29 Å²	29	86 Å²	86	15%	0.152	42%	0.415	C	S	.	.	H	α-helix	trans	-70.3	-43.2	174	-77.7	168.7	0	0	0	110.9	E238 V239 L245 E246 L276 A279 K283	E238-L242 HydrophobicContact CG-CD1 4.4Å; E238-L242 WeakPolarHBondContact O-CG 3.35Å; E238-L242 PolarHBondContact O-N 3.32Å; E238-L242 VanDerWaalsContact O-N 3.13Å; V239-L242 PolarHBondContact O-N 3.12Å; L242-L245 PolarHBondContact O-N 3.17Å; L242-E246 WeakPolarHBondContact O-CG 3.3Å; L242-E246 PolarHBondContact O-N 2.8Å; L242-L276 HydrophobicContact CD2-CD1 4.45Å; L242-A279 HydrophobicContact CD2-CB 3.46Å; L242-A279 VanDerWaalsContact CD2-CB 3.46Å; L242-K283 HydrophobicContact CD1-CD 4.32Å; L242-K283 VanDerWaalsContact CD1-CE 3.47Å; L242-K283 VanDerWaalsContact CD1-NZ 3.27Å
243	E	87.8	Confident	85.4	Confident	107 Å²	107	84.9 Å²	84.9	50%	0.5	42%	0.419	S	S	.	.	H	α-helix	trans	-62.9	-45.1	174.9	-72.1	-178.9	178.3	0	0	111.7	V239 D240 L245 E246 L247	V239-E243 PolarHBondContact O-N 3.22Å; D240-E243 PolarHBondContact O-N 3.32Å; E243-L245 VanDerWaalsContact C-N 3.28Å; E243-L245 PolarHBondContact O-N 2.88Å; E243-E246 PolarHBondContact O-N 2.93Å; E243-L247 WeakPolarHBondContact O-CB 3.45Å; E243-L247 VanDerWaalsContact O-CG 3.32Å; E243-L247 WeakPolarHBondContact O-CG 3.4Å; E243-L247 PolarHBondContact O-N 3.25Å
244	E	88.4	Confident	85.5	Confident	106 Å²	106	88.7 Å²	88.7	50%	0.495	43%	0.432	S	S	.	.	H	α-helix	trans	-58.7	-39.5	175.2	-170.8	-174	165.4	0	0	111.7	D240 K241 A248	D240-E244 VanDerWaalsContact O-CB 3.3Å; D240-E244 WeakPolarHBondContact O-CB 3.47Å; D240-E244 PolarHBondContact O-N 2.91Å; K241-E244 WeakPolarHBondContact CD-OE2 3.36Å; K241-E244 WeakPolarHBondContact CE-OE2 3.46Å; K241-E244 IonicContact NZ-OE1 2.72Å; K241-E244 PolarHBondContact NZ-OE1 3.46Å; K241-E244 IonicContact NZ-OE2 3.34Å; K241-E244 PolarHBondContact NZ-OE2 3.01Å; E244-A248 VanDerWaalsContact O-CB 3.23Å; E244-A248 WeakPolarHBondContact O-CB 3.38Å; E244-A248 PolarHBondContact O-N 2.82Å
245	L	89.8	Confident	85.4	Confident	44 Å²	44	90.2 Å²	90.2	23%	0.23	44%	0.44	C	S	.	.	H	α-helix	trans	-73.3	-33.9	178.5	-166.8	136	0	0	0	112.6	K241 L242 E243 L249 V275 L276	K241-L245 VanDerWaalsContact O-CB 3.29Å; K241-L245 WeakPolarHBondContact O-CB 3.46Å; K241-L245 PolarHBondContact O-N 3.05Å; K241-L245 VanDerWaalsContact O-N 3.08Å; L242-L245 PolarHBondContact O-N 3.17Å; E243-L245 VanDerWaalsContact C-N 3.28Å; E243-L245 PolarHBondContact O-N 2.88Å; L245-L249 HydrophobicContact CD2-CD1 4.2Å; L245-L249 PolarHBondContact O-N 3.42Å; L245-V275 HydrophobicContact CD1-CG1 4.26Å; L245-L276 HydrophobicContact CD2-CB 3.58Å; L245-L276 HydrophobicContact CD2-CD1 3.65Å; L245-L276 HydrophobicContact CD2-CG 4.2Å
246	E	88.6	Confident	85.4	Confident	67 Å²	67	87.7 Å²	87.7	31%	0.313	43%	0.43	S	S	.	.	H	α-helix	trans	-65.5	-47.6	170.7	-73.9	-171.8	168.5	0	0	111.9	L242 E243 L249 L250 L276 K280	L242-E246 WeakPolarHBondContact O-CG 3.3Å; L242-E246 PolarHBondContact O-N 2.8Å; E243-E246 PolarHBondContact O-N 2.93Å; E246-L249 PolarHBondContact O-N 3.32Å; E246-L250 PolarHBondContact O-N 2.89Å; E246-L276 HydrophobicContact CG-CD1 3.31Å; E246-L276 HydrophobicContact CG-CD2 4.03Å; E246-L276 HydrophobicContact CG-CG 4.29Å; E246-K280 WeakPolarHBondContact OE1-CE 3.49Å; E246-K280 IonicContact OE1-NZ 2.68Å; E246-K280 PolarHBondContact OE1-NZ 2.81Å
247	L	88.8	Confident	84.9	Confident	105 Å²	105	85.4 Å²	85.4	55%	0.55	44%	0.437	S	S	.	.	H	α-helix	trans	-63	-42.1	177.6	-70.9	171.4	0	0	0	111.3	E243 L249 L250 D251	E243-L247 WeakPolarHBondContact O-CB 3.45Å; E243-L247 VanDerWaalsContact O-CG 3.32Å; E243-L247 WeakPolarHBondContact O-CG 3.4Å; E243-L247 PolarHBondContact O-N 3.25Å; L247-L249 VanDerWaalsContact C-N 3.32Å; L247-L249 PolarHBondContact O-N 3.26Å; L247-L250 WeakPolarHBondContact O-CB 3.35Å; L247-L250 PolarHBondContact O-N 3.44Å; L247-D251 WeakPolarHBondContact O-CB 3.39Å; L247-D251 PolarHBondContact O-N 2.86Å
248	A	87.8	Confident	84.5	Confident	36 Å²	36	83.3 Å²	83.3	30%	0.298	45%	0.454	S	S	.	.	H	α-helix	trans	-61.3	-38.9	176.4	0	0	0	0	0	112.6	E244 E252	E244-A248 VanDerWaalsContact O-CB 3.23Å; E244-A248 WeakPolarHBondContact O-CB 3.38Å; E244-A248 PolarHBondContact O-N 2.82Å; A248-E252 WeakPolarHBondContact O-CB 3.38Å; A248-E252 WeakPolarHBondContact O-CG 3.21Å; A248-E252 PolarHBondContact O-N 3.37Å
249	L	88.1	Confident	84.2	Confident	21 Å²	21	85.3 Å²	85.3	11%	0.11	46%	0.463	C	S	.	.	H	α-helix	trans	-69.5	-36.3	175	-81.7	171.1	0	0	0	112.4	L245 E246 L247 A253 V269 K272 K273 L276	L245-L249 HydrophobicContact CD2-CD1 4.2Å; L245-L249 PolarHBondContact O-N 3.42Å; E246-L249 PolarHBondContact O-N 3.32Å; L247-L249 VanDerWaalsContact C-N 3.32Å; L247-L249 PolarHBondContact O-N 3.26Å; L249-A253 WeakPolarHBondContact O-CB 3.46Å; L249-A253 PolarHBondContact O-N 3.46Å; L249-V269 HydrophobicContact CD2-CG1 4.23Å; L249-K272 HydrophobicContact CD1-CB 4.32Å; L249-K272 HydrophobicContact CD2-CB 3.83Å; L249-K272 HydrophobicContact CG-CB 4.15Å; L249-K273 HydrophobicContact CD1-CG 4.01Å; L249-K273 HydrophobicContact CD2-CG 3.76Å; L249-L276 HydrophobicContact CD1-CB 4.38Å; L249-L276 HydrophobicContact CD1-CD2 4.18Å
250	L	86.5	Confident	83.8	Confident	111 Å²	111	92.7 Å²	92.7	58%	0.581	49%	0.49	S	S	*	.	H	α-helix	trans	-66.3	-43.4	174.6	-80.3	163.6	0	0	0	111.6	E246 L247 A253 R254	E246-L250 PolarHBondContact O-N 2.89Å; L247-L250 WeakPolarHBondContact O-CB 3.35Å; L247-L250 PolarHBondContact O-N 3.44Å; L250-A253 PolarHBondContact O-N 2.9Å; L250-R254 VanDerWaalsContact O-CB 3.29Å; L250-R254 WeakPolarHBondContact O-CB 3.26Å; L250-R254 PolarHBondContact O-N 3.15Å
251	D	86	Confident	83.4	Confident	89 Å²	89	92.1 Å²	92.1	48%	0.476	49%	0.487	S	S	.	.	H	α-helix	trans	-65.6	-44.5	176.2	-82.3	-9.6	0	0	0	111.2	L247 A253 R254 L255	L247-D251 WeakPolarHBondContact O-CB 3.39Å; L247-D251 PolarHBondContact O-N 2.86Å; D251-A253 VanDerWaalsContact C-N 3.31Å; D251-A253 PolarHBondContact O-N 3.32Å; D251-R254 PolarHBondContact O-N 2.97Å; D251-R254 VanDerWaalsContact O-N 3.17Å; D251-L255 HydrophobicContact CB-CD1 4.17Å; D251-L255 WeakPolarHBondContact O-CB 3.41Å; D251-L255 WeakPolarHBondContact O-CG 3.43Å; D251-L255 PolarHBondContact O-N 3.27Å
252	E	83.3	Confident	83.3	Confident	49 Å²	49	89.6 Å²	89.6	23%	0.229	49%	0.485	C	S	.	.	H	α-helix	trans	-59.5	-42.5	174.6	-81.8	177.1	170.6	0	0	111.6	A248 R254 F256 V269 K272	A248-E252 WeakPolarHBondContact O-CB 3.38Å; A248-E252 WeakPolarHBondContact O-CG 3.21Å; A248-E252 PolarHBondContact O-N 3.37Å; E252-R254 VanDerWaalsContact C-N 3.34Å; E252-R254 PolarHBondContact O-N 2.91Å; E252-F256 HydrophobicContact CB-CD2 4.45Å; E252-F256 HydrophobicContact CG-CD2 4.47Å; E252-F256 HydrophobicContact CG-CE2 4.41Å; E252-F256 WeakPolarHBondContact O-CD2 3.34Å; E252-F256 PolarHBondContact O-N 2.72Å; E252-V269 WeakPolarHBondContact OE2-CG2 3.46Å; E252-K272 IonicContact OE1-NZ 3.64Å; E252-K272 PolarHBondContact OE1-NZ 3.01Å; E252-K272 IonicContact OE2-NZ 2.61Å
253	A	82.6	Confident	83.2	Confident	70 Å²	70	97.4 Å²	97.4	58%	0.579	52%	0.518	S	S	*	.	H	α-helix	trans	-66.3	-34.1	176.6	0	0	0	0	0	112.9	L249 L250 D251 A257	L249-A253 WeakPolarHBondContact O-CB 3.46Å; L249-A253 PolarHBondContact O-N 3.46Å; L250-A253 PolarHBondContact O-N 2.9Å; D251-A253 VanDerWaalsContact C-N 3.31Å; D251-A253 PolarHBondContact O-N 3.32Å; A253-A257 WeakPolarHBondContact O-CB 3.42Å
254	R	81.9	Confident	83.2	Confident	209 Å²	209	102.4 Å²	102.4	79%	0.789	53%	0.532	S	S	*	.	H	α-helix	trans	-83.2	-42.5	-177.6	-171.6	178.6	-179.1	130.3	1.1	112.9	L250 D251 E252	L250-R254 VanDerWaalsContact O-CB 3.29Å; L250-R254 WeakPolarHBondContact O-CB 3.26Å; L250-R254 PolarHBondContact O-N 3.15Å; D251-R254 PolarHBondContact O-N 2.97Å; D251-R254 VanDerWaalsContact O-N 3.17Å; E252-R254 VanDerWaalsContact C-N 3.34Å; E252-R254 PolarHBondContact O-N 2.91Å
255	L	80.6	Confident	83	Confident	123 Å²	123	101.9 Å²	101.9	64%	0.644	53%	0.53	S	S	*	.	H	α-helix	trans	-74.7	-36.1	-176	-67.7	170.1	0	0	0	112	D251	D251-L255 HydrophobicContact CB-CD1 4.17Å; D251-L255 WeakPolarHBondContact O-CB 3.41Å; D251-L255 WeakPolarHBondContact O-CG 3.43Å; D251-L255 PolarHBondContact O-N 3.27Å
256	F	80.4	Confident	82.8	Confident	80 Å²	80	103.3 Å²	103.3	35%	0.351	54%	0.537	S	S	.	.	S	Bend	trans	-108.4	18.3	-174.3	-55.2	-72.6	0	0	0	113.9	E252 G258 E259 L261	E252-F256 HydrophobicContact CB-CD2 4.45Å; E252-F256 HydrophobicContact CG-CD2 4.47Å; E252-F256 HydrophobicContact CG-CE2 4.41Å; E252-F256 WeakPolarHBondContact O-CD2 3.34Å; E252-F256 PolarHBondContact O-N 2.72Å; F256-G258 PolarHBondContact O-N 3.5Å; F256-E259 WeakPolarHBondContact CD1-OE2 3.38Å; F256-E259 PolarHBondContact O-N 2.99Å; F256-L261 HydrophobicContact CB-CD2 4.08Å; F256-L261 HydrophobicContact CG-CD2 4.22Å
257	A	72	Confident	82.8	Confident	92 Å²	92	102.4 Å²	102.4	76%	0.76	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-13.8	-176.4	0	0	0	0	0	115.2	A253	A253-A257 WeakPolarHBondContact O-CB 3.42Å
258	G	75.3	Confident	82.8	Confident	79 Å²	79	101.9 Å²	101.9	81%	0.814	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.5	6.1	-179.1	0	0	0	0	0	116	F256	F256-G258 PolarHBondContact O-N 3.5Å
259	E	76.3	Confident	82.8	Confident	133 Å²	133	101.4 Å²	101.4	62%	0.621	53%	0.532	S	S	*	.	S	Bend	trans	-103.5	147.1	-178.1	-71.4	-171	163.9	0	0	112.4	F256 L261	F256-E259 WeakPolarHBondContact CD1-OE2 3.38Å; F256-E259 PolarHBondContact O-N 2.99Å; E259-L261 PolarHBondContact O-N 2.67Å; E259-L261 VanDerWaalsContact O-N 3.12Å
260	K	77.2	Confident	82.8	Confident	215 Å²	215	105.5 Å²	105.5	94%	0.935	55%	0.551	S	S	*	*			trans	-76.9	97.1	172.9	-74.3	-175.7	179.2	177.7	0	109.6
261	L	77.6	Confident	83	Confident	65 Å²	65	107.1 Å²	107.1	34%	0.34	55%	0.55	S	S	.	.			trans	-61.2	141.5	174.5	-66.8	163.3	0	0	0	111.9	F256 E259 E265 I266	F256-L261 HydrophobicContact CB-CD2 4.08Å; F256-L261 HydrophobicContact CG-CD2 4.22Å; E259-L261 PolarHBondContact O-N 2.67Å; E259-L261 VanDerWaalsContact O-N 3.12Å; L261-E265 WeakPolarHBondContact CA-OE2 3.26Å; L261-E265 HydrophobicContact CB-CB 4.28Å; L261-E265 HydrophobicContact CD2-CB 4.11Å; L261-I266 HydrophobicContact CB-CD1 4.44Å; L261-I266 HydrophobicContact CB-CG1 3.86Å
262	A	84	Confident	83.3	Confident	51 Å²	51	105.7 Å²	105.7	42%	0.421	54%	0.539	S	S	.	.			trans	-68.5	154.8	172.8	0	0	0	0	0	111.1	R264 E265 I266	A262-R264 PolarHBondContact O-N 3.47Å; A262-E265 HydrophobicContact CB-CG 4.22Å; A262-E265 PolarHBondContact N-OE2 2.84Å; A262-E265 WeakPolarHBondContact O-CB 3.3Å; A262-E265 PolarHBondContact O-N 3.25Å; A262-I266 PolarHBondContact O-N 3.44Å
263	K	85.2	Confident	83.6	Confident	194 Å²	194	109.3 Å²	109.3	84%	0.843	56%	0.555	S	S	*	*	H	α-helix	trans	-53.9	-32.6	177.6	-72	-175.3	177.9	-178.9	0	113.6	A267	K263-A267 PolarHBondContact O-N 2.89Å
264	R	86.8	Confident	84.1	Confident	212 Å²	212	112.9 Å²	112.9	80%	0.8	55%	0.553	S	S	*	*	H	α-helix	trans	-68	-44.7	175.9	-72	-176.4	176.7	173.7	-1.3	111.6	A262 I266 A267 D268	A262-R264 PolarHBondContact O-N 3.47Å; R264-I266 PolarHBondContact O-N 3.35Å; R264-A267 WeakPolarHBondContact O-CB 3.4Å; R264-A267 PolarHBondContact O-N 3.23Å; R264-D268 PolarHBondContact O-N 2.86Å
265	E	84.7	Confident	84.5	Confident	94 Å²	94	105.3 Å²	105.3	44%	0.439	53%	0.53	S	S	.	.	H	α-helix	trans	-65.9	-39.9	-179.7	-63.4	168.8	161.3	0	0	111.2	L261 A262 A267 D268 V269	L261-E265 WeakPolarHBondContact CA-OE2 3.26Å; L261-E265 HydrophobicContact CB-CB 4.28Å; L261-E265 HydrophobicContact CD2-CB 4.11Å; A262-E265 HydrophobicContact CB-CG 4.22Å; A262-E265 PolarHBondContact N-OE2 2.84Å; A262-E265 WeakPolarHBondContact O-CB 3.3Å; A262-E265 PolarHBondContact O-N 3.25Å; E265-A267 VanDerWaalsContact C-N 3.33Å; E265-A267 PolarHBondContact O-N 3.28Å; E265-D268 PolarHBondContact O-N 3.14Å; E265-V269 VanDerWaalsContact O-CG2 3.24Å; E265-V269 WeakPolarHBondContact O-CG2 3.35Å; E265-V269 PolarHBondContact O-N 3.49Å
266	I	85.1	Confident	85	Confident	75 Å²	75	100.8 Å²	100.8	39%	0.385	51%	0.506	S	S	.	.	H	α-helix	trans	-59.5	-45.4	173.7	-63.1	170.6	0	0	0	110.7	L261 A262 R264 D268 V269 E270	L261-I266 HydrophobicContact CB-CD1 4.44Å; L261-I266 HydrophobicContact CB-CG1 3.86Å; A262-I266 PolarHBondContact O-N 3.44Å; R264-I266 PolarHBondContact O-N 3.35Å; I266-D268 VanDerWaalsContact C-N 3.34Å; I266-D268 PolarHBondContact O-N 3.04Å; I266-V269 PolarHBondContact O-N 3.02Å; I266-E270 WeakPolarHBondContact O-CB 3.21Å; I266-E270 WeakPolarHBondContact O-CG 3.26Å; I266-E270 PolarHBondContact O-N 2.97Å
267	A	89.2	Confident	85.4	Confident	47 Å²	47	102.2 Å²	102.2	39%	0.388	51%	0.514	S	S	.	.	H	α-helix	trans	-64.4	-37.8	178.4	0	0	0	0	0	112.5	K263 R264 E265 Y271	K263-A267 PolarHBondContact O-N 2.89Å; R264-A267 WeakPolarHBondContact O-CB 3.4Å; R264-A267 PolarHBondContact O-N 3.23Å; E265-A267 VanDerWaalsContact C-N 3.33Å; E265-A267 PolarHBondContact O-N 3.28Å; A267-Y271 VanDerWaalsContact O-CB 3.32Å; A267-Y271 WeakPolarHBondContact O-CB 3.3Å; A267-Y271 PolarHBondContact O-N 2.89Å
268	D	88.8	Confident	86.2	Confident	95 Å²	95	103 Å²	103	51%	0.508	51%	0.505	S	S	.	.	H	α-helix	trans	-68	-43	177.2	-75	-14.3	0	0	0	111.8	R264 E265 I266 Y271 K272	R264-D268 PolarHBondContact O-N 2.86Å; E265-D268 PolarHBondContact O-N 3.14Å; I266-D268 VanDerWaalsContact C-N 3.34Å; I266-D268 PolarHBondContact O-N 3.04Å; D268-Y271 WeakPolarHBondContact O-CB 3.29Å; D268-Y271 PolarHBondContact O-N 2.86Å; D268-K272 WeakPolarHBondContact O-CG 3.13Å; D268-K272 PolarHBondContact O-N 2.98Å
269	V	86.9	Confident	86.8	Confident	26 Å²	26	100.4 Å²	100.4	16%	0.158	48%	0.476	C	S	.	.	H	α-helix	trans	-62.3	-44.7	175	173.4	0	0	0	0	110.6	L249 E252 E265 I266 Y271 K272 K273	L249-V269 HydrophobicContact CD2-CG1 4.23Å; E252-V269 WeakPolarHBondContact OE2-CG2 3.46Å; E265-V269 VanDerWaalsContact O-CG2 3.24Å; E265-V269 WeakPolarHBondContact O-CG2 3.35Å; E265-V269 PolarHBondContact O-N 3.49Å; I266-V269 PolarHBondContact O-N 3.02Å; V269-Y271 VanDerWaalsContact C-N 3.33Å; V269-Y271 PolarHBondContact O-N 3.39Å; V269-K272 PolarHBondContact O-N 3.03Å; V269-K273 HydrophobicContact CG1-CD 4.32Å; V269-K273 WeakPolarHBondContact O-CG 3.46Å; V269-K273 PolarHBondContact O-N 2.67Å
270	E	88.4	Confident	87.2	Confident	107 Å²	107	98.5 Å²	98.5	50%	0.5	47%	0.465	S	S	.	.	H	α-helix	trans	-63.7	-37.2	175.4	-77.8	-177.5	177.3	0	0	112.6	I266 R274	I266-E270 WeakPolarHBondContact O-CB 3.21Å; I266-E270 WeakPolarHBondContact O-CG 3.26Å; I266-E270 PolarHBondContact O-N 2.97Å; E270-R274 WeakPolarHBondContact O-CB 3.41Å; E270-R274 WeakPolarHBondContact O-CG 3.39Å; E270-R274 PolarHBondContact O-N 2.99Å; E270-R274 PolarHBondContact O-NE 3.45Å
271	Y	91.9	Very high	87.6	Confident	144 Å²	144	93 Å²	93	57%	0.565	44%	0.443	S	S	*	.	H	α-helix	trans	-63.7	-49.6	174.2	177.8	-101.3	0	0	0	111.2	A267 D268 V269 K273 R274 V275	A267-Y271 VanDerWaalsContact O-CB 3.32Å; A267-Y271 WeakPolarHBondContact O-CB 3.3Å; A267-Y271 PolarHBondContact O-N 2.89Å; D268-Y271 WeakPolarHBondContact O-CB 3.29Å; D268-Y271 PolarHBondContact O-N 2.86Å; V269-Y271 VanDerWaalsContact C-N 3.33Å; V269-Y271 PolarHBondContact O-N 3.39Å; Y271-K273 VanDerWaalsContact C-N 3.35Å; Y271-K273 PolarHBondContact O-N 3.33Å; Y271-R274 WeakPolarHBondContact O-CB 3.22Å; Y271-R274 PolarHBondContact O-N 2.98Å; Y271-R274 VanDerWaalsContact O-N 3.15Å; Y271-V275 HydrophobicContact CD1-CG2 4.25Å; Y271-V275 HydrophobicContact CE1-CG2 3.83Å; Y271-V275 HydrophobicContact CE2-CG2 4.11Å; Y271-V275 WeakPolarHBondContact O-CG2 3.41Å; Y271-V275 PolarHBondContact O-N 3.46Å
272	K	91.5	Very high	87.9	Confident	59 Å²	59	97.4 Å²	97.4	26%	0.257	46%	0.456	S	S	.	.	H	α-helix	trans	-57.8	-44.6	176.5	-71.6	175.5	-173.6	179.3	0	112	L249 E252 D268 V269 R274 V275 L276	L249-K272 HydrophobicContact CD1-CB 4.32Å; L249-K272 HydrophobicContact CD2-CB 3.83Å; L249-K272 HydrophobicContact CG-CB 4.15Å; E252-K272 IonicContact OE1-NZ 3.64Å; E252-K272 PolarHBondContact OE1-NZ 3.01Å; E252-K272 IonicContact OE2-NZ 2.61Å; D268-K272 WeakPolarHBondContact O-CG 3.13Å; D268-K272 PolarHBondContact O-N 2.98Å; V269-K272 PolarHBondContact O-N 3.03Å; K272-R274 PolarHBondContact O-N 3.27Å; K272-V275 PolarHBondContact O-N 3.06Å; K272-L276 PolarHBondContact O-N 3.08Å
273	K	90.4	Very high	87.6	Confident	126 Å²	126	99.2 Å²	99.2	55%	0.548	45%	0.454	S	S	.	.	H	α-helix	trans	-59.7	-43	175.5	-75	179.2	-179.8	177.3	0	112.4	L249 V269 Y271 L276 H277	L249-K273 HydrophobicContact CD1-CG 4.01Å; L249-K273 HydrophobicContact CD2-CG 3.76Å; V269-K273 HydrophobicContact CG1-CD 4.32Å; V269-K273 WeakPolarHBondContact O-CG 3.46Å; V269-K273 PolarHBondContact O-N 2.67Å; Y271-K273 VanDerWaalsContact C-N 3.35Å; Y271-K273 PolarHBondContact O-N 3.33Å; K273-L276 PolarHBondContact O-N 2.94Å; K273-H277 WeakPolarHBondContact O-CB 3.48Å; K273-H277 PolarHBondContact O-N 3.17Å
274	R	91.7	Very high	87.4	Confident	144 Å²	144	97 Å²	97	54%	0.543	45%	0.445	S	S	.	.	H	α-helix	trans	-63.1	-43.9	175.8	-79.9	-177.5	-72.7	-168.8	-3.3	112.1	E270 Y271 K272 H277 L278	E270-R274 WeakPolarHBondContact O-CB 3.41Å; E270-R274 WeakPolarHBondContact O-CG 3.39Å; E270-R274 PolarHBondContact O-N 2.99Å; E270-R274 PolarHBondContact O-NE 3.45Å; Y271-R274 WeakPolarHBondContact O-CB 3.22Å; Y271-R274 PolarHBondContact O-N 2.98Å; Y271-R274 VanDerWaalsContact O-N 3.15Å; K272-R274 PolarHBondContact O-N 3.27Å; R274-H277 PolarHBondContact O-N 2.93Å; R274-L278 WeakPolarHBondContact O-CG 3.35Å; R274-L278 PolarHBondContact O-N 2.78Å
275	V	90.9	Very high	87	Confident	51 Å²	51	89 Å²	89	31%	0.309	42%	0.424	S	S	.	.	H	α-helix	trans	-61.8	-45.4	177.8	172.9	0	0	0	0	111.1	L245 Y271 K272 H277 L278 A279	L245-V275 HydrophobicContact CD1-CG1 4.26Å; Y271-V275 HydrophobicContact CD1-CG2 4.25Å; Y271-V275 HydrophobicContact CE1-CG2 3.83Å; Y271-V275 HydrophobicContact CE2-CG2 4.11Å; Y271-V275 WeakPolarHBondContact O-CG2 3.41Å; Y271-V275 PolarHBondContact O-N 3.46Å; K272-V275 PolarHBondContact O-N 3.06Å; V275-H277 VanDerWaalsContact C-N 3.32Å; V275-H277 PolarHBondContact O-N 2.87Å; V275-L278 PolarHBondContact O-N 2.71Å; V275-A279 WeakPolarHBondContact O-CB 3.21Å; V275-A279 PolarHBondContact O-N 3.27Å
276	L	90.2	Very high	86.4	Confident	27 Å²	27	87.3 Å²	87.3	14%	0.141	42%	0.418	C	S	.	.	H	α-helix	trans	-58.4	-45.9	176.2	-172.1	77.2	0	0	0	111.7	L242 L245 E246 L249 K272 K273 A279 K280	L242-L276 HydrophobicContact CD2-CD1 4.45Å; L245-L276 HydrophobicContact CD2-CB 3.58Å; L245-L276 HydrophobicContact CD2-CD1 3.65Å; L245-L276 HydrophobicContact CD2-CG 4.2Å; E246-L276 HydrophobicContact CG-CD1 3.31Å; E246-L276 HydrophobicContact CG-CD2 4.03Å; E246-L276 HydrophobicContact CG-CG 4.29Å; L249-L276 HydrophobicContact CD1-CB 4.38Å; L249-L276 HydrophobicContact CD1-CD2 4.18Å; K272-L276 PolarHBondContact O-N 3.08Å; K273-L276 PolarHBondContact O-N 2.94Å; L276-A279 PolarHBondContact O-N 3.4Å; L276-K280 WeakPolarHBondContact O-CG 3.48Å; L276-K280 PolarHBondContact O-N 3.01Å
277	H	89.8	Confident	85.5	Confident	110 Å²	110	86.7 Å²	86.7	51%	0.509	42%	0.424	S	S	.	.	H	α-helix	trans	-62.8	-50	-178.4	-173.4	61.9	0	0	0	111.5	K273 R274 V275 A279 K280 E281	K273-H277 WeakPolarHBondContact O-CB 3.48Å; K273-H277 PolarHBondContact O-N 3.17Å; R274-H277 PolarHBondContact O-N 2.93Å; V275-H277 VanDerWaalsContact C-N 3.32Å; V275-H277 PolarHBondContact O-N 2.87Å; H277-A279 VanDerWaalsContact C-N 3.3Å; H277-A279 PolarHBondContact O-N 3.5Å; H277-K280 PolarHBondContact O-N 3.36Å; H277-K280 VanDerWaalsContact O-N 3.16Å; H277-E281 IonicContact NE2-OE1 3.48Å; H277-E281 PolarHBondContact O-N 3.38Å
278	L	89.5	Confident	84.6	Confident	109 Å²	109	89.7 Å²	89.7	57%	0.571	43%	0.433	S	S	*	.	H	α-helix	trans	-59.5	-39.7	177.5	-72.2	170.2	0	0	0	112.2	R274 V275 E281 Y282	R274-L278 WeakPolarHBondContact O-CG 3.35Å; R274-L278 PolarHBondContact O-N 2.78Å; V275-L278 PolarHBondContact O-N 2.71Å; L278-E281 PolarHBondContact O-N 2.79Å; L278-Y282 WeakPolarHBondContact O-CB 2.97Å; L278-Y282 PolarHBondContact O-N 3.43Å
279	A	86.4	Confident	83.4	Confident	25 Å²	25	90 Å²	90	21%	0.207	43%	0.433	C	S	.	.	H	α-helix	trans	-67.5	-37.3	177.5	0	0	0	0	0	112.9	L242 V275 L276 H277 Y282 K283	L242-A279 HydrophobicContact CD2-CB 3.46Å; L242-A279 VanDerWaalsContact CD2-CB 3.46Å; V275-A279 WeakPolarHBondContact O-CB 3.21Å; V275-A279 PolarHBondContact O-N 3.27Å; L276-A279 PolarHBondContact O-N 3.4Å; H277-A279 VanDerWaalsContact C-N 3.3Å; H277-A279 PolarHBondContact O-N 3.5Å; A279-Y282 PolarHBondContact O-N 2.88Å; A279-K283 PolarHBondContact O-N 3.49Å; A279-K283 VanDerWaalsContact O-N 3.11Å
280	K	85.9	Confident	82.1	Confident	93 Å²	93	96 Å²	96	40%	0.404	46%	0.457	S	S	.	.	H	α-helix	trans	-66.6	-39.3	173.2	-75.1	-175.9	177.5	-178.2	0	112	E246 L276 H277 K283 K284	E246-K280 WeakPolarHBondContact OE1-CE 3.49Å; E246-K280 IonicContact OE1-NZ 2.68Å; E246-K280 PolarHBondContact OE1-NZ 2.81Å; L276-K280 WeakPolarHBondContact O-CG 3.48Å; L276-K280 PolarHBondContact O-N 3.01Å; H277-K280 PolarHBondContact O-N 3.36Å; H277-K280 VanDerWaalsContact O-N 3.16Å; K280-K283 PolarHBondContact O-N 2.81Å; K280-K284 WeakPolarHBondContact O-CG 3.32Å; K280-K284 PolarHBondContact O-N 3.49Å; K280-K284 VanDerWaalsContact O-N 3.12Å
281	E	85.8	Confident	80.6	Confident	99 Å²	99	95 Å²	95	46%	0.463	47%	0.467	S	S	.	.	H	α-helix	trans	-64.7	-41.6	174.2	-71.4	-165.4	136.7	0	0	111.9	H277 L278 K283 K284 A285	H277-E281 IonicContact NE2-OE1 3.48Å; H277-E281 PolarHBondContact O-N 3.38Å; L278-E281 PolarHBondContact O-N 2.79Å; E281-K283 PolarHBondContact O-N 2.77Å; E281-K284 WeakPolarHBondContact O-CB 3.48Å; E281-K284 PolarHBondContact O-N 3.5Å; E281-K284 VanDerWaalsContact O-N 3.15Å; E281-A285 PolarHBondContact O-N 2.83Å
282	Y	83.5	Confident	78.7	Confident	158 Å²	158	96.1 Å²	96.1	62%	0.62	48%	0.477	S	S	*	.	H	α-helix	trans	-59.2	-44.2	175.7	-172.7	-97.2	0	0	0	112.1	L278 A279 K284 A285 D286	L278-Y282 WeakPolarHBondContact O-CB 2.97Å; L278-Y282 PolarHBondContact O-N 3.43Å; A279-Y282 PolarHBondContact O-N 2.88Å; Y282-K284 VanDerWaalsContact C-N 3.34Å; Y282-K284 PolarHBondContact O-N 2.8Å; Y282-A285 PolarHBondContact O-N 2.77Å; Y282-D286 PolarHBondContact O-N 3.3Å
283	K	77.3	Confident	76.7	Confident	88 Å²	88	103.5 Å²	103.5	38%	0.383	50%	0.504	S	S	.	.	H	α-helix	trans	-62.2	-38.5	174.7	-77.8	-172.5	175.1	-178.4	0	112.8	E238 L242 A279 K280 E281 A287	E238-K283 WeakPolarHBondContact OE1-CE 3.38Å; L242-K283 HydrophobicContact CD1-CD 4.32Å; L242-K283 VanDerWaalsContact CD1-CE 3.47Å; L242-K283 VanDerWaalsContact CD1-NZ 3.27Å; A279-K283 PolarHBondContact O-N 3.49Å; A279-K283 VanDerWaalsContact O-N 3.11Å; K280-K283 PolarHBondContact O-N 2.81Å; E281-K283 PolarHBondContact O-N 2.77Å; K283-A287 PolarHBondContact O-N 3.29Å
284	K	80.4	Confident	74.8	Confident	148 Å²	148	107.9 Å²	107.9	64%	0.643	52%	0.518	S	S	*	.	H	α-helix	trans	-66.5	-41.2	174.8	-71.8	177.5	-179.4	-177.8	0	111.6	K280 E281 Y282 A287 I288	K280-K284 WeakPolarHBondContact O-CG 3.32Å; K280-K284 PolarHBondContact O-N 3.49Å; K280-K284 VanDerWaalsContact O-N 3.12Å; E281-K284 WeakPolarHBondContact O-CB 3.48Å; E281-K284 PolarHBondContact O-N 3.5Å; E281-K284 VanDerWaalsContact O-N 3.15Å; Y282-K284 VanDerWaalsContact C-N 3.34Å; Y282-K284 PolarHBondContact O-N 2.8Å; K284-A287 PolarHBondContact O-N 3.49Å; K284-I288 WeakPolarHBondContact O-CG1 3.37Å; K284-I288 PolarHBondContact O-N 3.31Å
285	A	79.1	Confident	72.5	Confident	43 Å²	43	112.1 Å²	112.1	36%	0.355	53%	0.534	S	S	.	.	H	α-helix	trans	-64.5	-40.9	176.6	0	0	0	0	0	111.9	E281 Y282 A287 I288 I289	E281-A285 PolarHBondContact O-N 2.83Å; Y282-A285 PolarHBondContact O-N 2.77Å; A285-A287 VanDerWaalsContact C-N 3.29Å; A285-A287 PolarHBondContact O-N 3.08Å; A285-I288 PolarHBondContact O-N 3.19Å; A285-I288 VanDerWaalsContact O-N 3.15Å; A285-I289 VanDerWaalsContact O-CG1 3.3Å; A285-I289 WeakPolarHBondContact O-CG1 3.34Å; A285-I289 PolarHBondContact O-N 3.22Å
286	D	70.9	Confident	70.6	Confident	59 Å²	59	116.3 Å²	116.3	32%	0.316	55%	0.553	S	S	.	*	H	α-helix	trans	-65.3	-32.7	178.2	-159	48.4	0	0	0	112.2	Y282 K290	Y282-D286 PolarHBondContact O-N 3.3Å; D286-K290 WeakPolarHBondContact O-CB 3.03Å; D286-K290 WeakPolarHBondContact O-CG 3.41Å; D286-K290 PolarHBondContact O-N 3.49Å; D286-K290 VanDerWaalsContact O-N 3.11Å; D286-K290 IonicContact OD2-NZ 3.55Å; D286-K290 PolarHBondContact OD2-NZ 3.28Å
287	A	68	Low	68.4	Low	63 Å²	63	120.6 Å²	120.6	52%	0.521	58%	0.583	S	S	.	*	H	α-helix	trans	-67.1	-38.9	172.3	0	0	0	0	0	112.5	K283 K284 A285 K290 A291	K283-A287 PolarHBondContact O-N 3.29Å; K284-A287 PolarHBondContact O-N 3.49Å; A285-A287 VanDerWaalsContact C-N 3.29Å; A285-A287 PolarHBondContact O-N 3.08Å; A287-K290 PolarHBondContact O-N 2.6Å; A287-A291 PolarHBondContact O-N 3.45Å
288	I	69.2	Low	66.4	Low	110 Å²	110	124.4 Å²	124.4	56%	0.564	60%	0.601	S	S	*	*	H	α-helix	trans	-67.9	-42.8	176.5	-64.7	164.9	0	0	0	110.4	K284 A285 K290 A291	K284-I288 WeakPolarHBondContact O-CG1 3.37Å; K284-I288 PolarHBondContact O-N 3.31Å; A285-I288 PolarHBondContact O-N 3.19Å; A285-I288 VanDerWaalsContact O-N 3.15Å; I288-K290 VanDerWaalsContact C-N 3.3Å; I288-K290 PolarHBondContact O-N 3.06Å; I288-A291 PolarHBondContact O-N 3.46Å
289	I	64.5	Low	64.1	Low	101 Å²	101	123.8 Å²	123.8	52%	0.518	61%	0.612	S	S	.	*	H	α-helix	trans	-64.1	-34.5	178.9	-67.3	165.1	0	0	0	111.8	A285	A285-I289 VanDerWaalsContact O-CG1 3.3Å; A285-I289 WeakPolarHBondContact O-CG1 3.34Å; A285-I289 PolarHBondContact O-N 3.22Å
290	K	59.4	Low	62	Low	153 Å²	153	132 Å²	132	67%	0.665	65%	0.646	S	S	*	*	H	α-helix	trans	-75.5	-21.4	177.2	-81	169.5	179	148.8	0	113.9	D286 A287 I288	D286-K290 WeakPolarHBondContact O-CB 3.03Å; D286-K290 WeakPolarHBondContact O-CG 3.41Å; D286-K290 PolarHBondContact O-N 3.49Å; D286-K290 VanDerWaalsContact O-N 3.11Å; D286-K290 IonicContact OD2-NZ 3.55Å; D286-K290 PolarHBondContact OD2-NZ 3.28Å; A287-K290 PolarHBondContact O-N 2.6Å; I288-K290 VanDerWaalsContact C-N 3.3Å; I288-K290 PolarHBondContact O-N 3.06Å
291	A	57.4	Low	59.9	Low	85 Å²	85	132.2 Å²	132.2	70%	0.702	67%	0.665	S	S	*	*	H	α-helix	trans	-80.1	-20	-176.7	0	0	0	0	0	114.2	A287 I288	A287-A291 PolarHBondContact O-N 3.45Å; I288-A291 PolarHBondContact O-N 3.46Å
292	E	51.1	Low	58.3	Low	168 Å²	168	136.8 Å²	136.8	79%	0.785	68%	0.683	S	S	*	*	S	Bend	trans	-109.7	15.2	-169.6	-69.7	-168.8	162.2	0	0	116.3
293	R	49.9	Very low	56.3	Low	214 Å²	214	135 Å²	135	81%	0.808	69%	0.691	S	S	*	*			trans	-111.5	108.2	180	-73.4	-173.3	177.1	-157.2	-0.2	113.7
294	Y	49.2	Very low	54.6	Low	218 Å²	218	139.1 Å²	139.1	86%	0.855	71%	0.711	S	S	*	*			trans	-59.2	130.3	165.1	-170.4	-95.4	0	0	0	110.6
295	R	44.8	Very low	52.8	Low	233 Å²	233	139.4 Å²	139.4	88%	0.879	72%	0.72	S	S	*	*			trans	-121.1	125.4	-179.8	-147.6	177.1	-168.1	-175.4	0.8	109.9
296	I	50.9	Low	50.7	Low	139 Å²	139	146.1 Å²	146.1	71%	0.713	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-71.5	132.4	-178.7	-60.5	167.2	0	0	0	109.4
297	P	43.9	Very low	49.3	Very low	117 Å²	117	153.5 Å²	153.5	76%	0.76	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-75.3	121.3	176.8	-12.6	28	0	0	0	111.7
298	E	46.8	Very low	48.1	Very low	189 Å²	189	156.1 Å²	156.1	88%	0.883	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-79.6	127.8	169.1	-73.8	175.1	174.7	0	0	110	E300	E298-E300 PolarHBondContact O-N 3.37Å
299	A	40.9	Very low	46.7	Very low	97 Å²	97	159.6 Å²	159.6	80%	0.802	79%	0.789	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	106.8	178.2	0	0	0	0	0	109.6
300	E	43	Very low	45.6	Very low	197 Å²	197	158.9 Å²	158.9	92%	0.921	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	165.7	1.1	151.5	-92.9	172.6	-163.8	0	0	114.9	E298 K302	E298-E300 PolarHBondContact O-N 3.37Å; E300-K302 PolarHBondContact O-N 2.96Å
301	A	42.1	Very low	44.9	Very low	97 Å²	97	156.2 Å²	156.2	80%	0.802	78%	0.782	S	S	*	*			trans	-86.2	112.7	176.7	0	0	0	0	0	112.7
302	K	51	Low	44.6	Very low	195 Å²	195	160.8 Å²	160.8	85%	0.848	79%	0.789	S	S	*	*			trans	-57.4	145.8	165.9	-73.5	179	179.1	176.8	0	110.1	E300 E304	E300-K302 PolarHBondContact O-N 2.96Å; K302-E304 PolarHBondContact O-N 3.34Å; K302-E304 VanDerWaalsContact O-N 3.16Å
303	P	42.7	Very low	44.7	Very low	121 Å²	121	161.2 Å²	161.2	79%	0.786	79%	0.789	S	S	*	*			trans	-67.6	115.5	-177.2	27.2	-31.8	0	0	0	110.4	N305	P303-N305 PolarHBondContact O-N 3.22Å; P303-N305 VanDerWaalsContact O-N 3.13Å
304	E	41.8	Very low	44.7	Very low	174 Å²	174	156.4 Å²	156.4	81%	0.813	78%	0.775	S	S	*	*			trans	-64.9	106.5	162.7	-75.9	-179.2	166.6	0	0	108.1	K302 K306	K302-E304 PolarHBondContact O-N 3.34Å; K302-E304 VanDerWaalsContact O-N 3.16Å; E304-K306 PolarHBondContact O-N 3.3Å
305	N	41.2	Very low	45	Very low	155 Å²	155	152.5 Å²	152.5	83%	0.829	77%	0.768	S	S	*	*			trans	-60	93.6	156.7	-84.6	-15.3	0	0	0	107.1	P303 Y307	P303-N305 PolarHBondContact O-N 3.22Å; P303-N305 VanDerWaalsContact O-N 3.13Å; N305-Y307 PolarHBondContact O-N 2.95Å
306	K	36.4	Very low	45.6	Very low	184 Å²	184	143.1 Å²	143.1	80%	0.8	75%	0.745	S	S	*	*			trans	-63.7	91	165.1	-105.6	-179.5	175.9	177.6	0	107.9	E304 V308	E304-K306 PolarHBondContact O-N 3.3Å; K306-V308 PolarHBondContact O-N 2.67Å
307	Y	40.2	Very low	45.8	Very low	213 Å²	213	143.3 Å²	143.3	84%	0.835	76%	0.755	S	S	*	*			trans	-57.6	115	153.1	-123.4	-95.5	0	0	0	106.1	N305 E309	N305-Y307 PolarHBondContact O-N 2.95Å; Y307-E309 VanDerWaalsContact C-N 3.35Å; Y307-E309 PolarHBondContact O-N 3.23Å; Y307-E309 VanDerWaalsContact O-N 3.13Å
308	V	44	Very low	46.7	Very low	118 Å²	118	140 Å²	140	72%	0.715	74%	0.742	S	S	*	*			trans	-72	100.6	164.5	177.8	0	0	0	0	104.3	K306 V310	K306-V308 PolarHBondContact O-N 2.67Å; V308-V310 PolarHBondContact O-N 2.98Å
309	E	39.8	Very low	47.5	Very low	183 Å²	183	133.2 Å²	133.2	86%	0.855	72%	0.715	S	S	*	*			trans	-59.9	98.9	162.1	-82.4	-178.3	170.8	0	0	106.5	Y307 D311	Y307-E309 VanDerWaalsContact C-N 3.35Å; Y307-E309 PolarHBondContact O-N 3.23Å; Y307-E309 VanDerWaalsContact O-N 3.13Å; E309-D311 PolarHBondContact O-N 2.73Å
310	V	42.3	Very low	48.6	Very low	87 Å²	87	136.6 Å²	136.6	53%	0.527	71%	0.714	S	S	.	*			trans	-64.4	119.5	159.9	-177.3	0	0	0	0	104.6	V308 E312 L315	V308-V310 PolarHBondContact O-N 2.98Å; V310-E312 PolarHBondContact O-N 3.34Å; V310-L315 HydrophobicContact CB-CD1 4.31Å; V310-L315 HydrophobicContact CG1-CD1 3.58Å
311	D	44.6	Very low	49.9	Very low	96 Å²	96	132.3 Å²	132.3	51%	0.513	70%	0.695	S	S	.	*			trans	-49.5	110.1	179.4	-155.8	-15.8	0	0	0	108	E309 K313 E314	E309-D311 PolarHBondContact O-N 2.73Å; D311-K313 PolarHBondContact O-N 2.91Å; D311-E314 HydrophobicContact CB-CG 4.36Å; D311-E314 PolarHBondContact O-N 3.03Å
312	E	49.5	Very low	51	Low	182 Å²	182	136.6 Å²	136.6	85%	0.85	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-59.1	-12.1	-176.5	-72.3	-174.2	152.6	0	0	111.9	V310 E314	V310-E312 PolarHBondContact O-N 3.34Å; E312-E314 VanDerWaalsContact C-N 3.3Å; E312-E314 PolarHBondContact O-N 3.01Å
313	K	53.4	Low	51.7	Low	177 Å²	177	132.8 Å²	132.8	77%	0.77	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-70.8	-16.7	171.1	-65.5	177.9	-179.1	175.6	0	114.3	D311	D311-K313 PolarHBondContact O-N 2.91Å
314	E	50.7	Low	53.1	Low	112 Å²	112	133.5 Å²	133.5	52%	0.523	66%	0.661	S	S	.	*	G	3₁₀ helix	trans	-98.6	-1.9	-175.8	-65	-146.9	132.9	0	0	115.1	D311 E312 K323	D311-E314 HydrophobicContact CB-CG 4.36Å; D311-E314 PolarHBondContact O-N 3.03Å; E312-E314 VanDerWaalsContact C-N 3.3Å; E312-E314 PolarHBondContact O-N 3.01Å; E314-K323 IonicContact OE1-NZ 3.55Å; E314-K323 PolarHBondContact OE1-NZ 3.46Å
315	L	54.1	Low	54.5	Low	136 Å²	136	130.4 Å²	130.4	71%	0.712	65%	0.646	S	S	*	*	S	Bend	trans	-108.9	6.4	-175.7	-88.3	135.5	0	0	0	115.8	V310	V310-L315 HydrophobicContact CB-CD1 4.31Å; V310-L315 HydrophobicContact CG1-CD1 3.58Å
316	G	58.2	Low	55.8	Low	37 Å²	37	129 Å²	129	38%	0.381	64%	0.635	S	S	.	*	S	Bend	trans	-82.1	139.3	178.4	0	0	0	0	0	113.9	G318 S319	G316-G318 PolarHBondContact O-N 3.06Å; G316-S319 PolarHBondContact O-N 3.03Å
317	P	54.6	Low	57.4	Low	143 Å²	143	126.1 Å²	126.1	93%	0.929	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	125.5	166.4	-16.8	28	0	0	0	109.9
318	G	64.3	Low	58.9	Low	47 Å²	47	121.7 Å²	121.7	49%	0.485	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	92.8	14.9	-176.7	0	0	0	0	0	115.7	G316 E320 Q321 R322	G316-G318 PolarHBondContact O-N 3.06Å; G318-E320 VanDerWaalsContact C-N 3.29Å; G318-E320 PolarHBondContact O-N 3.12Å; G318-Q321 WeakPolarHBondContact O-CB 3.2Å; G318-Q321 PolarHBondContact O-N 3.17Å; G318-Q321 VanDerWaalsContact O-N 3.08Å; G318-R322 PolarHBondContact O-N 2.81Å
319	S	62.5	Low	60	Low	47 Å²	47	121.4 Å²	121.4	33%	0.329	60%	0.603	S	S	.	*	H	α-helix	trans	-59.1	-35.1	174.1	61.2	0	0	0	0	113.5	G316 K323	G316-S319 PolarHBondContact O-N 3.03Å; S319-K323 PolarHBondContact O-N 3.12Å
320	E	64.8	Low	61.3	Low	167 Å²	167	117.7 Å²	117.7	78%	0.78	59%	0.588	S	S	*	*	H	α-helix	trans	-66	-38.9	171.4	-77.5	-170.2	153.8	0	0	112.3	G318 K323 W324	G318-E320 VanDerWaalsContact C-N 3.29Å; G318-E320 PolarHBondContact O-N 3.12Å; E320-K323 PolarHBondContact O-N 3.43Å; E320-W324 WeakPolarHBondContact O-CB 3.1Å; E320-W324 PolarHBondContact O-N 3.07Å
321	Q	69.4	Low	62.3	Low	108 Å²	108	118.6 Å²	118.6	51%	0.505	59%	0.59	S	S	.	*	H	α-helix	trans	-66	-41.5	178.3	-157.2	74.9	17.7	0	0	110.8	G318 W324 E325	G318-Q321 WeakPolarHBondContact O-CB 3.2Å; G318-Q321 PolarHBondContact O-N 3.17Å; G318-Q321 VanDerWaalsContact O-N 3.08Å; Q321-W324 PolarHBondContact O-N 3.45Å; Q321-E325 WeakPolarHBondContact O-CB 3.24Å; Q321-E325 WeakPolarHBondContact O-CG 3.43Å; Q321-E325 PolarHBondContact O-N 3.15Å
322	R	64.7	Low	63	Low	186 Å²	186	118 Å²	118	70%	0.702	60%	0.598	S	S	*	*	H	α-helix	trans	-65.1	-43.4	173.8	-90.4	-176.6	176.3	161.7	0.1	112.8	G318 W324 E325 E326	G318-R322 PolarHBondContact O-N 2.81Å; R322-W324 VanDerWaalsContact C-N 3.32Å; R322-W324 PolarHBondContact O-N 3.04Å; R322-E325 PolarHBondContact O-N 3.2Å; R322-E326 WeakPolarHBondContact O-CB 3.42Å; R322-E326 WeakPolarHBondContact O-CG 3.47Å; R322-E326 PolarHBondContact O-N 3.49Å
323	K	66	Low	63.1	Low	116 Å²	116	115.3 Å²	115.3	50%	0.504	59%	0.589	S	S	.	*	H	α-helix	trans	-62	-40	174	-86.3	-178.8	178.6	168.5	0	111.2	E314 S319 E320 E326 E327	E314-K323 IonicContact OE1-NZ 3.55Å; E314-K323 PolarHBondContact OE1-NZ 3.46Å; S319-K323 PolarHBondContact O-N 3.12Å; E320-K323 PolarHBondContact O-N 3.43Å; K323-E326 PolarHBondContact O-N 3.45Å; K323-E327 WeakPolarHBondContact O-CB 3.35Å; K323-E327 WeakPolarHBondContact O-CG 3.08Å; K323-E327 PolarHBondContact O-N 3.27Å
324	W	72.2	Confident	62.9	Low	136 Å²	136	110.9 Å²	110.9	52%	0.515	57%	0.573	S	S	.	*	H	α-helix	trans	-67.4	-38.9	175.8	-175.7	80.8	0	0	0	112.8	E320 Q321 R322 K328	E320-W324 WeakPolarHBondContact O-CB 3.1Å; E320-W324 PolarHBondContact O-N 3.07Å; Q321-W324 PolarHBondContact O-N 3.45Å; R322-W324 VanDerWaalsContact C-N 3.32Å; R322-W324 PolarHBondContact O-N 3.04Å; W324-K328 HydrophobicContact CD2-CG 4.19Å; W324-K328 HydrophobicContact CE3-CG 4.44Å; W324-K328 HydrophobicContact CH2-CG 4.5Å; W324-K328 HydrophobicContact CZ2-CD 4.31Å; W324-K328 VanDerWaalsContact CZ2-CE 3.44Å; W324-K328 HydrophobicContact CZ2-CG 4.25Å; W324-K328 VanDerWaalsContact O-CB 3.24Å; W324-K328 WeakPolarHBondContact O-CB 3.3Å; W324-K328 VanDerWaalsContact O-CG 3.23Å; W324-K328 WeakPolarHBondContact O-CG 3.5Å; W324-K328 PolarHBondContact O-N 2.93Å
325	E	71	Confident	62.9	Low	109 Å²	109	115 Å²	115	51%	0.509	59%	0.589	S	S	.	*	H	α-helix	trans	-66.7	-44.2	173.6	-77.3	178.4	179.7	0	0	111.7	Q321 R322 K328 L329	Q321-E325 WeakPolarHBondContact O-CB 3.24Å; Q321-E325 WeakPolarHBondContact O-CG 3.43Å; Q321-E325 PolarHBondContact O-N 3.15Å; R322-E325 PolarHBondContact O-N 3.2Å; E325-K328 PolarHBondContact O-N 3.43Å; E325-L329 VanDerWaalsContact O-CB 3.24Å; E325-L329 WeakPolarHBondContact O-CB 3.49Å; E325-L329 PolarHBondContact O-N 3.04Å
326	E	69.7	Low	62.6	Low	126 Å²	126	118.6 Å²	118.6	59%	0.589	60%	0.595	S	S	*	*	H	α-helix	trans	-63.8	-42.9	174.6	-78.3	-178	169.1	0	0	111.6	R322 K323 L329 I330	R322-E326 WeakPolarHBondContact O-CB 3.42Å; R322-E326 WeakPolarHBondContact O-CG 3.47Å; R322-E326 PolarHBondContact O-N 3.49Å; K323-E326 PolarHBondContact O-N 3.45Å; E326-L329 PolarHBondContact O-N 2.89Å; E326-I330 WeakPolarHBondContact O-CB 3.37Å; E326-I330 WeakPolarHBondContact O-CD1 3.42Å; E326-I330 WeakPolarHBondContact O-CG1 3.45Å; E326-I330 PolarHBondContact O-N 3.01Å
327	E	69.5	Low	62	Low	122 Å²	122	120.8 Å²	120.8	57%	0.57	62%	0.617	S	S	*	*	H	α-helix	trans	-65.2	-38.3	174.2	-80.9	-173.1	165.1	0	0	112.2	K323 L329 N331	K323-E327 WeakPolarHBondContact O-CB 3.35Å; K323-E327 WeakPolarHBondContact O-CG 3.08Å; K323-E327 PolarHBondContact O-N 3.27Å; E327-L329 VanDerWaalsContact C-N 3.33Å; E327-N331 WeakPolarHBondContact O-CB 3.24Å; E327-N331 PolarHBondContact O-N 3.43Å; E327-N331 PolarHBondContact O-ND2 3.3Å
328	K	72.2	Confident	61.7	Low	120 Å²	120	117.7 Å²	117.7	52%	0.522	60%	0.604	S	S	.	*	H	α-helix	trans	-65.1	-38.3	172.7	-83.4	-95	178.8	167.1	0	111.6	W324 E325 N331 A332	W324-K328 HydrophobicContact CD2-CG 4.19Å; W324-K328 HydrophobicContact CE3-CG 4.44Å; W324-K328 HydrophobicContact CH2-CG 4.5Å; W324-K328 HydrophobicContact CZ2-CD 4.31Å; W324-K328 VanDerWaalsContact CZ2-CE 3.44Å; W324-K328 HydrophobicContact CZ2-CG 4.25Å; W324-K328 VanDerWaalsContact O-CB 3.24Å; W324-K328 WeakPolarHBondContact O-CB 3.3Å; W324-K328 VanDerWaalsContact O-CG 3.23Å; W324-K328 WeakPolarHBondContact O-CG 3.5Å; W324-K328 PolarHBondContact O-N 2.93Å; E325-K328 PolarHBondContact O-N 3.43Å; K328-N331 PolarHBondContact O-N 2.89Å; K328-A332 VanDerWaalsContact O-CB 3.26Å; K328-A332 WeakPolarHBondContact O-CB 3.39Å; K328-A332 PolarHBondContact O-N 3.21Å
329	L	67.5	Low	61.1	Low	113 Å²	113	125.6 Å²	125.6	59%	0.592	63%	0.625	S	S	*	*	H	α-helix	trans	-70	-44.7	178.3	-151.9	132.9	0	0	0	110.2	E325 E326 E327 N331 A332 L333	E325-L329 VanDerWaalsContact O-CB 3.24Å; E325-L329 WeakPolarHBondContact O-CB 3.49Å; E325-L329 PolarHBondContact O-N 3.04Å; E326-L329 PolarHBondContact O-N 2.89Å; E327-L329 VanDerWaalsContact C-N 3.33Å; L329-N331 PolarHBondContact O-N 3Å; L329-A332 PolarHBondContact O-N 2.91Å; L329-L333 HydrophobicContact CD2-CD1 3.49Å; L329-L333 VanDerWaalsContact CD2-CD1 3.49Å; L329-L333 HydrophobicContact CG-CD1 4.26Å; L329-L333 WeakPolarHBondContact O-CB 3.44Å; L329-L333 VanDerWaalsContact O-CD1 3.24Å; L329-L333 WeakPolarHBondContact O-CD1 3.2Å; L329-L333 PolarHBondContact O-N 3.1Å
330	I	66	Low	60.5	Low	105 Å²	105	129.4 Å²	129.4	54%	0.538	64%	0.642	S	S	.	*	H	α-helix	trans	-59.5	-46.7	172.4	-69.1	164.3	0	0	0	110.2	E326 A332 L333 I334	E326-I330 WeakPolarHBondContact O-CB 3.37Å; E326-I330 WeakPolarHBondContact O-CD1 3.42Å; E326-I330 WeakPolarHBondContact O-CG1 3.45Å; E326-I330 PolarHBondContact O-N 3.01Å; I330-A332 VanDerWaalsContact C-N 3.31Å; I330-A332 PolarHBondContact O-N 2.84Å; I330-L333 PolarHBondContact O-N 3.23Å; I330-L333 VanDerWaalsContact O-N 3.08Å; I330-I334 WeakPolarHBondContact O-CG1 3.47Å; I330-I334 PolarHBondContact O-N 3.33Å
331	N	63.2	Low	60	Low	105 Å²	105	123.8 Å²	123.8	56%	0.561	62%	0.624	S	S	*	*	H	α-helix	trans	-64.6	-32.4	176.6	-76.9	-37.1	0	0	0	112.9	E327 K328 L329 L333	E327-N331 WeakPolarHBondContact O-CB 3.24Å; E327-N331 PolarHBondContact O-N 3.43Å; E327-N331 PolarHBondContact O-ND2 3.3Å; K328-N331 PolarHBondContact O-N 2.89Å; L329-N331 PolarHBondContact O-N 3Å; N331-L333 VanDerWaalsContact C-N 3.33Å
332	A	58.7	Low	59.2	Low	84 Å²	84	128.3 Å²	128.3	69%	0.694	64%	0.642	S	S	*	*	H	α-helix	trans	-73.5	-23.8	173.6	0	0	0	0	0	112.9	K328 L329 I330	K328-A332 VanDerWaalsContact O-CB 3.26Å; K328-A332 WeakPolarHBondContact O-CB 3.39Å; K328-A332 PolarHBondContact O-N 3.21Å; L329-A332 PolarHBondContact O-N 2.91Å; I330-A332 VanDerWaalsContact C-N 3.31Å; I330-A332 PolarHBondContact O-N 2.84Å
333	L	53.1	Low	58.5	Low	126 Å²	126	126.4 Å²	126.4	66%	0.66	65%	0.645	S	S	*	*	H	α-helix	trans	-85.9	-7.8	176.6	-91.3	129.1	0	0	0	113.9	L329 I330 N331 K335	L329-L333 HydrophobicContact CD2-CD1 3.49Å; L329-L333 VanDerWaalsContact CD2-CD1 3.49Å; L329-L333 HydrophobicContact CG-CD1 4.26Å; L329-L333 WeakPolarHBondContact O-CB 3.44Å; L329-L333 VanDerWaalsContact O-CD1 3.24Å; L329-L333 WeakPolarHBondContact O-CD1 3.2Å; L329-L333 PolarHBondContact O-N 3.1Å; I330-L333 PolarHBondContact O-N 3.23Å; I330-L333 VanDerWaalsContact O-N 3.08Å; N331-L333 VanDerWaalsContact C-N 3.33Å; L333-K335 PolarHBondContact O-N 3.44Å
334	I	49	Very low	57.7	Low	84 Å²	84	129 Å²	129	43%	0.431	66%	0.656	S	S	.	*			trans	-74.1	97.4	173.7	-61.5	170	0	0	0	109.7	I330 Y336	I330-I334 WeakPolarHBondContact O-CG1 3.47Å; I330-I334 PolarHBondContact O-N 3.33Å; I334-Y336 HydrophobicContact CG2-CD2 4.01Å; I334-Y336 HydrophobicContact CG2-CE2 3.64Å
335	K	49.9	Very low	56.5	Low	199 Å²	199	128 Å²	128	87%	0.865	66%	0.66	S	S	*	*			trans	-87	112.1	167	-79.6	-179.8	177.5	173.2	0	110.4	L333	L333-K335 PolarHBondContact O-N 3.44Å
336	Y	49.4	Very low	55.3	Low	210 Å²	210	126.8 Å²	126.8	82%	0.824	66%	0.664	S	S	*	*			trans	-73.6	126	166.5	-76.9	-84.7	0	0	0	110.7	I334	I334-Y336 HydrophobicContact CG2-CD2 4.01Å; I334-Y336 HydrophobicContact CG2-CE2 3.64Å
337	G	44.5	Very low	53.9	Low	83 Å²	83	131.4 Å²	131.4	86%	0.856	68%	0.676	S	S	*	*			trans	-74.4	122.5	-179	0	0	0	0	0	112.9
338	A	49.2	Very low	52.7	Low	79 Å²	79	131.6 Å²	131.6	65%	0.653	68%	0.681	S	S	*	*			trans	-112.4	112.5	160.3	0	0	0	0	0	108.2	D340	A338-D340 PolarHBondContact O-N 2.85Å
339	K	51.5	Low	51.1	Low	212 Å²	212	131.3 Å²	131.3	92%	0.922	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	1.3	-176.4	-84.7	176.9	173.4	173.6	0	114.8
340	D	50.3	Low	49.9	Very low	128 Å²	128	135.7 Å²	135.7	68%	0.684	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117	7.4	-174.8	-63.3	-31.9	0	0	0	115.5	A338	A338-D340 PolarHBondContact O-N 2.85Å
341	A	53.4	Low	48.6	Very low	49 Å²	49	138.5 Å²	138.5	41%	0.405	71%	0.71	S	S	.	*	H	α-helix	trans	-72.2	-29.4	-179	0	0	0	0	0	114	L343 K344 L345	A341-L343 PolarHBondContact O-N 3.3Å; A341-K344 PolarHBondContact O-N 3.41Å; A341-L345 HydrophobicContact CB-CD1 4.38Å; A341-L345 WeakPolarHBondContact O-CD1 3.25Å; A341-L345 PolarHBondContact O-N 3.05Å
342	K	53.3	Low	47.6	Very low	202 Å²	202	138.7 Å²	138.7	88%	0.878	71%	0.711	S	S	*	*	H	α-helix	trans	-66.5	-20.6	-177.6	-86	-175.5	175.1	-179.4	0	114.3
343	L	50	Low	46.5	Very low	146 Å²	146	141.3 Å²	141.3	76%	0.764	71%	0.712	S	S	*	*	H	α-helix	trans	-93.9	-15.9	179.4	-93.1	149.9	0	0	0	113.8	A341	A341-L343 PolarHBondContact O-N 3.3Å
344	K	48.1	Very low	46.3	Very low	171 Å²	171	138 Å²	138	74%	0.743	70%	0.695	S	S	*	*	H	α-helix	trans	-93.6	-31	175.9	-79	-176.9	175	179.2	0	113.3	A341 S346	A341-K344 PolarHBondContact O-N 3.41Å; K344-S346 VanDerWaalsContact C-N 3.3Å; K344-S346 PolarHBondContact O-N 2.74Å
345	L	48.2	Very low	46	Very low	116 Å²	116	142.2 Å²	142.2	61%	0.607	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-15.4	-179.2	-96.6	127.3	0	0	0	115	A341 R347 N349	A341-L345 HydrophobicContact CB-CD1 4.38Å; A341-L345 WeakPolarHBondContact O-CD1 3.25Å; A341-L345 PolarHBondContact O-N 3.05Å; L345-R347 VanDerWaalsContact C-N 3.32Å; L345-R347 PolarHBondContact O-N 2.84Å; L345-N349 PolarHBondContact O-OD1 3.39Å
346	S	45.1	Very low	46.3	Very low	83 Å²	83	138.2 Å²	138.2	58%	0.58	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-8.6	180	79.8	0	0	0	0	114.1	K344	K344-S346 VanDerWaalsContact C-N 3.3Å; K344-S346 PolarHBondContact O-N 2.74Å
347	R	40.9	Very low	46.7	Very low	222 Å²	222	132 Å²	132	84%	0.838	69%	0.685	S	S	*	*	S	Bend	trans	-98.3	-19.5	-175.7	-86	-178.4	158.7	155	-5	114.8	L345	L345-R347 VanDerWaalsContact C-N 3.32Å; L345-R347 PolarHBondContact O-N 2.84Å
348	D	43	Very low	47.8	Very low	126 Å²	126	129 Å²	129	67%	0.674	65%	0.649	S	S	*	*	S	Bend	trans	-106	13	-177.4	-63.3	-14.2	0	0	0	113.6	F350 E351	D348-F350 PolarHBondContact O-N 2.89Å; D348-E351 PolarHBondContact O-N 3.23Å
349	N	38.7	Very low	48.7	Very low	114 Å²	114	129.3 Å²	129.3	61%	0.61	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	16	-174.5	-85.7	-14.6	0	0	0	115.8	L345	L345-N349 PolarHBondContact O-OD1 3.39Å
350	F	42.1	Very low	49.7	Very low	206 Å²	206	121 Å²	121	90%	0.904	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.3	9	179.7	-72	-78.8	0	0	0	114.7	D348	D348-F350 PolarHBondContact O-N 2.89Å
351	E	39.6	Very low	50.7	Low	164 Å²	164	118.2 Å²	118.2	77%	0.766	59%	0.591	S	S	*	*			trans	-122	49.4	-177.7	-151.3	175.2	-154	0	0	112	D348	D348-E351 PolarHBondContact O-N 3.23Å
352	L	42.6	Very low	51.7	Low	108 Å²	108	120.7 Å²	120.7	57%	0.565	59%	0.593	S	S	*	*			trans	-107.4	74.6	158.5	-94.1	154.8	0	0	0	106.7	L354 V598	L352-L354 PolarHBondContact O-N 2.94Å; L352-V598 HydrophobicContact CD1-CG1 4.31Å
353	L	35.7	Very low	52.2	Low	140 Å²	140	113.6 Å²	113.6	73%	0.733	57%	0.572	S	S	*	*			trans	-65.4	87.5	161.3	-80.6	160.5	0	0	0	106.9	E355	L353-E355 PolarHBondContact O-N 2.94Å; L353-E355 VanDerWaalsContact O-N 3.16Å
354	L	47.2	Very low	52.8	Low	56 Å²	56	111.5 Å²	111.5	29%	0.293	56%	0.561	S	S	.	*			trans	-61.9	101.9	142.7	-75	155.7	0	0	0	103.6	L352 D356 T357	L352-L354 PolarHBondContact O-N 2.94Å; L354-D356 PolarHBondContact O-N 2.85Å; L354-T357 HydrophobicContact CB-CG2 4.08Å; L354-T357 PolarHBondContact O-N 3.33Å
355	E	42.9	Very low	53.4	Low	172 Å²	172	109 Å²	109	80%	0.804	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	-19	-179.4	-69.6	-179.1	162.3	0	0	111.5	L353	L353-E355 PolarHBondContact O-N 2.94Å; L353-E355 VanDerWaalsContact O-N 3.16Å
356	D	55.9	Low	53.9	Low	115 Å²	115	105 Å²	105	62%	0.615	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	58	179.5	-51.5	-45.3	0	0	0	112.3	L354 I358 V591	L354-D356 PolarHBondContact O-N 2.85Å; D356-I358 PolarHBondContact O-N 3.02Å; D356-V591 WeakPolarHBondContact O-CG1 3.34Å
357	T	59	Low	54.3	Low	80 Å²	80	106.2 Å²	106.2	49%	0.491	54%	0.538	S	S	.	.			trans	-72.1	124.1	171.5	52	0	0	0	0	111.1	L354 D359	L354-T357 HydrophobicContact CB-CG2 4.08Å; L354-T357 PolarHBondContact O-N 3.33Å; T357-D359 PolarHBondContact O-N 2.86Å
358	I	66.8	Low	54.8	Low	19 Å²	19	96.6 Å²	96.6	10%	0.097	51%	0.508	C	S	.	.			trans	-79.4	122.5	172.8	-60.9	168.2	0	0	0	109.2	D356 F360 T578 A588 V591	D356-I358 PolarHBondContact O-N 3.02Å; I358-F360 HydrophobicContact CB-CE2 4.06Å; I358-F360 HydrophobicContact CB-CZ 4.4Å; I358-F360 HydrophobicContact CG2-CD2 4.37Å; I358-F360 HydrophobicContact CG2-CE1 4.35Å; I358-F360 HydrophobicContact CG2-CE2 3.86Å; I358-F360 HydrophobicContact CG2-CZ 3.85Å; I358-F360 WeakPolarHBondContact O-CD2 3.04Å; I358-F360 PolarHBondContact O-N 3.4Å; I358-T578 HydrophobicContact CG2-CG2 3.86Å; I358-A588 HydrophobicContact CD1-CB 3.59Å; I358-A588 WeakPolarHBondContact CD1-O 3.45Å; I358-V591 HydrophobicContact CD1-CB 4.1Å; I358-V591 HydrophobicContact CD1-CG1 4.02Å; I358-V591 HydrophobicContact CG1-CG1 4.12Å
359	D	68.1	Low	55.2	Low	87 Å²	87	95.9 Å²	95.9	47%	0.465	50%	0.504	S	S	.	.			trans	-82.6	114.2	179	-88.7	-17	0	0	0	111.5	T357 K579	T357-D359 PolarHBondContact O-N 2.86Å; D359-K579 HydrophobicContact CB-CD 3.64Å; D359-K579 HydrophobicContact CB-CG 4.19Å; D359-K579 VanDerWaalsContact CG-NZ 3.35Å; D359-K579 PolarHBondContact O-N 3.2Å; D359-K579 IonicContact OD2-NZ 3.32Å; D359-K579 PolarHBondContact OD2-NZ 3.18Å
360	F	73.9	Confident	55.9	Low	38 Å²	38	93.5 Å²	93.5	17%	0.167	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	139.7	176.2	-71	-77.6	0	0	0	112.8	I358 Y576 Y577 T578 F730 L732	I358-F360 HydrophobicContact CB-CE2 4.06Å; I358-F360 HydrophobicContact CB-CZ 4.4Å; I358-F360 HydrophobicContact CG2-CD2 4.37Å; I358-F360 HydrophobicContact CG2-CE1 4.35Å; I358-F360 HydrophobicContact CG2-CE2 3.86Å; I358-F360 HydrophobicContact CG2-CZ 3.85Å; I358-F360 WeakPolarHBondContact O-CD2 3.04Å; I358-F360 PolarHBondContact O-N 3.4Å; F360-Y576 HydrophobicContact CB-CD1 4.07Å; F360-Y576 HydrophobicContact CB-CG 4.44Å; F360-Y577 CarbonylContact C-O 3.57Å; F360-Y577 WeakPolarHBondContact CA-O 3.39Å; F360-T578 HydrophobicContact CD1-CG2 4.28Å; F360-T578 HydrophobicContact CE1-CG2 3.84Å; F360-F730 HydrophobicContact CD1-CD1 4.13Å; F360-F730 AromaticContact CD2-CD1 3.98Å; F360-F730 HydrophobicContact CD2-CD1 3.98Å; F360-F730 HydrophobicContact CD2-CE1 4.42Å; F360-F730 HydrophobicContact CE1-CB 3.99Å; F360-F730 HydrophobicContact CE1-CD1 4.13Å; F360-F730 AromaticContact CE2-CD1 3.98Å; F360-F730 HydrophobicContact CE2-CD1 3.98Å; F360-F730 HydrophobicContact CG-CD1 4.05Å; F360-F730 HydrophobicContact CZ-CB 4.11Å; F360-F730 HydrophobicContact CZ-CD1 4.06Å; F360-L732 HydrophobicContact CE1-CD2 3.96Å; F360-L732 HydrophobicContact CZ-CD2 3.78Å
361	V	70.3	Confident	55.9	Low	69 Å²	69	92.8 Å²	92.8	42%	0.418	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	120.1	170.8	-175.3	0	0	0	0	109.2	A363 Y576 Y577 K579	V361-A363 PolarHBondContact O-N 2.81Å; V361-Y576 WeakPolarHBondContact O-CA 3.47Å; V361-Y577 PolarHBondContact N-O 2.92Å; V361-Y577 PolarHBondContact O-N 2.67Å; V361-K579 HydrophobicContact CG2-CG 3.57Å
362	K	74	Confident	55.9	Low	101 Å²	101	93.1 Å²	93.1	44%	0.439	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	117.5	170.9	-175.4	172.1	176	166	0	108.6	D574 Y576	K362-D574 VanDerWaalsContact CE-OD1 3.28Å; K362-D574 WeakPolarHBondContact CE-OD1 3.5Å; K362-D574 IonicContact NZ-OD1 3.62Å; K362-D574 PolarHBondContact NZ-OD1 3.16Å; K362-D574 IonicContact NZ-OD2 3.59Å; K362-D574 PolarHBondContact NZ-OD2 3.04Å; K362-Y576 HydrophobicContact CB-CD1 3.97Å; K362-Y576 HydrophobicContact CB-CE1 3.74Å; K362-Y576 HydrophobicContact CD-CE1 4.36Å; K362-Y576 HydrophobicContact CG-CE1 4.17Å
363	A	64.9	Low	55.7	Low	52 Å²	52	94.6 Å²	94.6	43%	0.43	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	-30.7	-175	0	0	0	0	0	114	V361 I575 Y577	V361-A363 PolarHBondContact O-N 2.81Å; A363-I575 PolarHBondContact N-O 3.41Å; A363-I575 VanDerWaalsContact N-O 3.16Å; A363-Y577 HydrophobicContact CB-CD2 3.54Å; A363-Y577 HydrophobicContact CB-CE2 3.63Å
364	L	63.1	Low	56.3	Low	102 Å²	102	95.1 Å²	95.1	53%	0.534	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	141.1	-176.5	-126.7	106.6	0	0	0	111.9	I575	L364-I575 PolarHBondContact O-N 3.06Å
365	Q	59.6	Low	56.1	Low	118 Å²	118	100.6 Å²	100.6	55%	0.551	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.9	167.7	-178.4	171.2	0.5	0	0	107.8	D574	Q365-D574 WeakPolarHBondContact CB-OD1 3.17Å; Q365-D574 VanDerWaalsContact CG-OD1 3.24Å; Q365-D574 WeakPolarHBondContact CG-OD1 3.1Å
366	T	59.3	Low	56.1	Low	34 Å²	34	99.9 Å²	99.9	21%	0.209	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	123.7	176.8	-43	0	0	0	0	109	P572 V573	T366-P572 WeakPolarHBondContact O-CA 3.45Å; T366-P572 WeakPolarHBondContact O-CB 3.47Å; T366-V573 PolarHBondContact N-O 2.82Å; T366-V573 PolarHBondContact O-N 3.08Å
367	P	53.1	Low	55.7	Low	108 Å²	108	98.3 Å²	98.3	70%	0.701	51%	0.51	S	S	*	.			trans	-67.9	143.2	-177.2	27.1	-33.8	0	0	0	112
368	G	50.8	Low	55.1	Low	19 Å²	19	97.4 Å²	97.4	20%	0.196	51%	0.511	C	S	.	.			trans	-112.7	160.5	171.6	0	0	0	0	0	111.6	V370	G368-V370 PolarHBondContact O-N 3.06Å
369	N	51.6	Low	54	Low	111 Å²	111	104 Å²	104	59%	0.594	54%	0.542	S	S	*	.	S	Bend	trans	-71.2	-15.9	-177.5	-82.8	-2.1	0	0	0	114	P567 R569	N369-P567 PolarHBondContact ND2-O 3.25Å; N369-R569 PolarHBondContact N-O 2.9Å
370	V	52.6	Low	52.9	Low	64 Å²	64	104.3 Å²	104.3	39%	0.388	54%	0.542	S	S	.	.			trans	-101	113.8	-179.3	-174.3	0	0	0	0	109.7	G368 R570 F571	G368-V370 PolarHBondContact O-N 3.06Å; V370-R570 WeakPolarHBondContact CG2-O 3.19Å; V370-F571 HydrophobicContact CB-CD1 4.36Å; V370-F571 HydrophobicContact CB-CE1 4.02Å; V370-F571 HydrophobicContact CG1-CE1 4.2Å; V370-F571 HydrophobicContact CG2-CE1 4.13Å; V370-F571 HydrophobicContact CG2-CZ 4.46Å
371	K	43.6	Very low	51.7	Low	191 Å²	191	106.3 Å²	106.3	83%	0.83	55%	0.551	S	S	*	*			trans	-88.2	127	170.4	-69.4	-176.8	177.5	179.7	0	109.6
372	E	39	Very low	50.6	Low	172 Å²	172	113.8 Å²	113.8	80%	0.804	57%	0.572	S	S	*	*	S	Bend	trans	24.2	90.5	156.4	-65.1	173	175.1	0	0	117.6
373	D	39.5	Very low	49.2	Very low	138 Å²	138	119.9 Å²	119.9	74%	0.738	59%	0.592	S	S	*	*			trans	-158.5	81.1	149	-88.8	-31.1	0	0	0	107.9	Q375	D373-Q375 PolarHBondContact O-N 3.3Å
374	E	47.7	Very low	48.6	Very low	151 Å²	151	120.4 Å²	120.4	71%	0.706	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.5	-9.7	-153.3	-68.9	-173	144.6	0	0	116.8
375	Q	42.4	Very low	48.7	Very low	172 Å²	172	119.4 Å²	119.4	80%	0.804	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118	-31.3	-169.6	-69.6	179.8	-5.1	0	0	115	D373	D373-Q375 PolarHBondContact O-N 3.3Å
376	E	43	Very low	49.2	Very low	157 Å²	157	117.4 Å²	117.4	73%	0.734	58%	0.576	S	S	*	*	H	α-helix	trans	-80.5	-32.5	179.8	-73.4	-173	151.7	0	0	113.2	A378 E379 I380	E376-A378 PolarHBondContact O-N 3.48Å; E376-E379 PolarHBondContact O-N 3.02Å; E376-I380 WeakPolarHBondContact O-CD1 3.41Å; E376-I380 WeakPolarHBondContact O-CG1 3.36Å; E376-I380 PolarHBondContact O-N 2.95Å
377	L	47.9	Very low	49.8	Very low	81 Å²	81	118.6 Å²	118.6	42%	0.424	59%	0.59	S	S	.	*	H	α-helix	trans	-71.3	-28.6	-173.9	-135	83	0	0	0	113.6	K381	L377-K381 WeakPolarHBondContact O-CD 3.37Å; L377-K381 VanDerWaalsContact O-CG 3.23Å; L377-K381 WeakPolarHBondContact O-CG 3.34Å; L377-K381 PolarHBondContact O-N 2.85Å
378	A	45.9	Very low	50.9	Low	62 Å²	62	117.9 Å²	117.9	51%	0.512	58%	0.577	S	S	.	*	H	α-helix	trans	-73.9	-31.9	-178.3	0	0	0	0	0	112.5	E376	E376-A378 PolarHBondContact O-N 3.48Å
379	E	42.8	Very low	51.9	Low	158 Å²	158	118.9 Å²	118.9	74%	0.738	58%	0.579	S	S	*	*	H	α-helix	trans	-80.7	-34.6	-179.5	-141.4	167.1	-158.3	0	0	111.6	E376	E376-E379 PolarHBondContact O-N 3.02Å
380	I	46.7	Very low	53.1	Low	92 Å²	92	116 Å²	116	47%	0.472	56%	0.56	S	S	.	*	H	α-helix	trans	-64.6	-40.6	173.5	-64.7	167.8	0	0	0	111	E376 R382 R383 Q384	E376-I380 WeakPolarHBondContact O-CD1 3.41Å; E376-I380 WeakPolarHBondContact O-CG1 3.36Å; E376-I380 PolarHBondContact O-N 2.95Å; I380-R382 VanDerWaalsContact C-N 3.27Å; I380-R382 PolarHBondContact O-N 3.18Å; I380-R383 PolarHBondContact O-N 3.46Å; I380-R383 VanDerWaalsContact O-N 3.1Å; I380-Q384 HydrophobicContact CG2-CG 4.32Å; I380-Q384 PolarHBondContact O-N 3.45Å
381	K	47.9	Very low	54.4	Low	80 Å²	80	119.1 Å²	119.1	35%	0.348	57%	0.568	S	S	.	*	H	α-helix	trans	-59.7	-28.1	-178.2	-82.6	171.2	178.3	179	0	114.8	L377 R383 T724	L377-K381 WeakPolarHBondContact O-CD 3.37Å; L377-K381 VanDerWaalsContact O-CG 3.23Å; L377-K381 WeakPolarHBondContact O-CG 3.34Å; L377-K381 PolarHBondContact O-N 2.85Å; K381-R383 VanDerWaalsContact C-N 3.28Å; K381-R383 PolarHBondContact O-N 3.43Å; K381-T724 PolarHBondContact NZ-O 3Å
382	R	46.9	Very low	56.1	Low	226 Å²	226	112.8 Å²	112.8	85%	0.853	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-14.9	179.2	-75.9	-176.9	174.4	177.1	-2.3	113.7	I380	I380-R382 VanDerWaalsContact C-N 3.27Å; I380-R382 PolarHBondContact O-N 3.18Å
383	R	44.8	Very low	58	Low	230 Å²	230	105.2 Å²	105.2	87%	0.868	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	-1.9	-178.3	-73.9	-176	173.6	176.1	1.1	114	I380 K381	I380-R383 PolarHBondContact O-N 3.46Å; I380-R383 VanDerWaalsContact O-N 3.1Å; K381-R383 VanDerWaalsContact C-N 3.28Å; K381-R383 PolarHBondContact O-N 3.43Å
384	Q	53.1	Low	60	Low	63 Å²	63	99.7 Å²	99.7	29%	0.294	49%	0.485	S	S	.	.			trans	-70	136.1	-176	-80.4	179.5	-9.5	0	0	111.6	I380 E388	I380-Q384 HydrophobicContact CG2-CG 4.32Å; I380-Q384 PolarHBondContact O-N 3.45Å; Q384-E388 WeakPolarHBondContact CA-OE2 3.44Å; Q384-E388 HydrophobicContact CB-CB 3.92Å; Q384-E388 HydrophobicContact CG-CB 4.02Å
385	T	64.4	Low	61.8	Low	81 Å²	81	92.5 Å²	92.5	50%	0.497	45%	0.451	S	S	.	.			trans	-62.7	154.8	170	54.2	0	0	0	0	110	A387 E388 T389	T385-A387 PolarHBondContact O-N 2.97Å; T385-A387 VanDerWaalsContact O-N 3.09Å; T385-E388 PolarHBondContact N-OE2 3.2Å; T385-E388 PolarHBondContact O-N 3.25Å; T385-E388 VanDerWaalsContact OG1-CD 3.26Å; T385-E388 WeakPolarHBondContact OG1-CG 3.38Å; T385-E388 PolarHBondContact OG1-OE2 3.06Å; T385-E388 VanDerWaalsContact OG1-OE2 3.08Å; T385-T389 PolarHBondContact O-N 3.47Å; T385-T389 PolarHBondContact O-OG1 2.85Å
386	I	71.2	Confident	63.9	Low	75 Å²	75	88.4 Å²	88.4	39%	0.385	43%	0.429	S	S	.	.	H	α-helix	trans	-52.9	-35.8	178	-64.5	172.5	0	0	0	110.9	T389 R390 T461 E462	I386-T389 WeakPolarHBondContact O-CB 3.29Å; I386-T389 PolarHBondContact O-N 3.19Å; I386-R390 PolarHBondContact O-N 2.92Å; I386-T461 HydrophobicContact CD1-CG2 4.11Å; I386-E462 HydrophobicContact CG2-CB 4.42Å; I386-E462 HydrophobicContact CG2-CG 3.82Å
387	A	71.8	Confident	66.1	Low	60 Å²	60	85.2 Å²	85.2	50%	0.496	42%	0.422	S	S	.	.	H	α-helix	trans	-66.4	-40.1	176.5	0	0	0	0	0	113.6	T385 T389 R390 K391	T385-A387 PolarHBondContact O-N 2.97Å; T385-A387 VanDerWaalsContact O-N 3.09Å; A387-T389 VanDerWaalsContact C-N 3.34Å; A387-R390 WeakPolarHBondContact O-CB 3.5Å; A387-R390 PolarHBondContact O-N 2.94Å; A387-K391 WeakPolarHBondContact O-CG 3.45Å; A387-K391 PolarHBondContact O-N 3.01Å; A387-K391 VanDerWaalsContact O-N 3.13Å
388	E	74.5	Confident	68	Low	92 Å²	92	83.9 Å²	83.9	43%	0.43	41%	0.413	S	S	.	.	H	α-helix	trans	-67.1	-38.4	174.9	-74.1	164.3	162.2	0	0	111.2	Q384 T385 R390 K391 S392	Q384-E388 WeakPolarHBondContact CA-OE2 3.44Å; Q384-E388 HydrophobicContact CB-CB 3.92Å; Q384-E388 HydrophobicContact CG-CB 4.02Å; T385-E388 PolarHBondContact N-OE2 3.2Å; T385-E388 PolarHBondContact O-N 3.25Å; T385-E388 VanDerWaalsContact OG1-CD 3.26Å; T385-E388 WeakPolarHBondContact OG1-CG 3.38Å; T385-E388 PolarHBondContact OG1-OE2 3.06Å; T385-E388 VanDerWaalsContact OG1-OE2 3.08Å; E388-R390 VanDerWaalsContact C-N 3.33Å; E388-R390 PolarHBondContact O-N 3.42Å; E388-K391 PolarHBondContact O-N 3.36Å; E388-S392 PolarHBondContact O-N 2.9Å; E388-S392 VanDerWaalsContact O-N 3.11Å
389	T	71.7	Confident	70.1	Confident	41 Å²	41	84.3 Å²	84.3	25%	0.252	40%	0.401	S	S	.	.	H	α-helix	trans	-60.6	-44.5	174	-54.2	0	0	0	0	110.6	T385 I386 A387 K391 S392	T385-T389 PolarHBondContact O-N 3.47Å; T385-T389 PolarHBondContact O-OG1 2.85Å; I386-T389 WeakPolarHBondContact O-CB 3.29Å; I386-T389 PolarHBondContact O-N 3.19Å; A387-T389 VanDerWaalsContact C-N 3.34Å; T389-K391 VanDerWaalsContact C-N 3.33Å; T389-K391 PolarHBondContact O-N 3.25Å; T389-S392 PolarHBondContact O-N 3.41Å; T389-S392 VanDerWaalsContact O-N 3.13Å; T389-S392 PolarHBondContact O-OG 3.19Å
390	R	77.8	Confident	72.4	Confident	49 Å²	49	82.1 Å²	82.1	19%	0.185	39%	0.391	C	S	.	.	H	α-helix	trans	-58	-42.9	176.7	-174.2	174.8	175.3	-162	-7	112.2	I386 A387 E388 S392 L393 E432	I386-R390 PolarHBondContact O-N 2.92Å; A387-R390 WeakPolarHBondContact O-CB 3.5Å; A387-R390 PolarHBondContact O-N 2.94Å; E388-R390 VanDerWaalsContact C-N 3.33Å; E388-R390 PolarHBondContact O-N 3.42Å; R390-S392 VanDerWaalsContact C-N 3.29Å; R390-S392 PolarHBondContact O-N 3.34Å; R390-L393 WeakPolarHBondContact O-CB 3.05Å; R390-L393 WeakPolarHBondContact O-CG 3.46Å; R390-L393 PolarHBondContact O-N 2.72Å; R390-E432 IonicContact CZ-OE1 3.61Å; R390-E432 IonicContact NH1-OE1 2.8Å; R390-E432 PolarHBondContact NH1-OE1 3.3Å; R390-E432 VanDerWaalsContact NH1-OE1 3.16Å; R390-E432 IonicContact NH2-OE1 3.56Å; R390-E432 PolarHBondContact NH2-OE1 3.47Å; R390-E432 IonicContact NH2-OE2 3.24Å
391	K	80.5	Confident	74.5	Confident	130 Å²	130	81.4 Å²	81.4	57%	0.565	39%	0.388	S	S	*	.	H	α-helix	trans	-67.7	-26.1	177.5	-70.4	179.3	179.6	-177.1	0	113.7	A387 E388 T389 L393 Y396	A387-K391 WeakPolarHBondContact O-CG 3.45Å; A387-K391 PolarHBondContact O-N 3.01Å; A387-K391 VanDerWaalsContact O-N 3.13Å; E388-K391 PolarHBondContact O-N 3.36Å; T389-K391 VanDerWaalsContact C-N 3.33Å; T389-K391 PolarHBondContact O-N 3.25Å; K391-L393 VanDerWaalsContact C-N 3.28Å; K391-L393 PolarHBondContact O-N 3.08Å; K391-Y396 HydrophobicContact CG-CD2 4.48Å; K391-Y396 HydrophobicContact CG-CE1 4.21Å; K391-Y396 HydrophobicContact CG-CE2 3.93Å
392	S	79.1	Confident	76.6	Confident	59 Å²	59	77.8 Å²	77.8	41%	0.413	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-7.2	178.6	77.5	0	0	0	0	114.3	E388 T389 R390	E388-S392 PolarHBondContact O-N 2.9Å; E388-S392 VanDerWaalsContact O-N 3.11Å; T389-S392 PolarHBondContact O-N 3.41Å; T389-S392 VanDerWaalsContact O-N 3.13Å; T389-S392 PolarHBondContact O-OG 3.19Å; R390-S392 VanDerWaalsContact C-N 3.29Å; R390-S392 PolarHBondContact O-N 3.34Å
393	L	79.1	Confident	78.7	Confident	13 Å²	13	68.3 Å²	68.3	7%	0.068	34%	0.338	C	S	.	.	S	Bend	trans	-72.8	138.5	-176.9	-63.3	177.2	0	0	0	111.2	R390 K391 I395 Y396 Q425	R390-L393 WeakPolarHBondContact O-CB 3.05Å; R390-L393 WeakPolarHBondContact O-CG 3.46Å; R390-L393 PolarHBondContact O-N 2.72Å; K391-L393 VanDerWaalsContact C-N 3.28Å; K391-L393 PolarHBondContact O-N 3.08Å; L393-I395 HydrophobicContact CB-CG2 4.23Å; L393-I395 PolarHBondContact O-N 3.48Å; L393-I395 VanDerWaalsContact O-N 3.07Å; L393-Y396 VanDerWaalsContact O-CB 3.31Å; L393-Y396 WeakPolarHBondContact O-CB 3.29Å; L393-Y396 PolarHBondContact O-N 2.7Å; L393-Q425 HydrophobicContact CD1-CG 3.51Å
394	P	80.1	Confident	81	Confident	21 Å²	21	62.5 Å²	62.5	14%	0.136	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-28.2	178.7	-29.7	35.4	0	0	0	115.3	P397 F398 S420 R570	P394-P397 WeakPolarHBondContact O-CD 3.45Å; P394-P397 WeakPolarHBondContact O-CG 3.49Å; P394-F398 WeakPolarHBondContact O-CD2 3.48Å; P394-S420 WeakPolarHBondContact CD-O 3.21Å; P394-R570 HydrophobicContact CG-CG 4.01Å
395	I	86.7	Confident	82.8	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-23.6	178.6	-163.9	167	0	0	0	114	L393 F398 R399 I402 S420 K422 Q425 I426 Y429 I566	L393-I395 HydrophobicContact CB-CG2 4.23Å; L393-I395 PolarHBondContact O-N 3.48Å; L393-I395 VanDerWaalsContact O-N 3.07Å; I395-F398 PolarHBondContact O-N 3.37Å; I395-R399 PolarHBondContact O-N 2.96Å; I395-I402 HydrophobicContact CD1-CD1 3.82Å; I395-I402 HydrophobicContact CG1-CD1 3.58Å; I395-S420 WeakPolarHBondContact CB-O 3.38Å; I395-S420 WeakPolarHBondContact CG2-O 3.04Å; I395-S420 PolarHBondContact N-O 3.13Å; I395-K422 HydrophobicContact CD1-CG 4.36Å; I395-Q425 HydrophobicContact CG2-CB 3.77Å; I395-Q425 HydrophobicContact CG2-CG 3.73Å; I395-I426 HydrophobicContact CD1-CD1 3.86Å; I395-I426 HydrophobicContact CD1-CG1 3.49Å; I395-I426 VanDerWaalsContact CD1-CG1 3.49Å; I395-Y429 HydrophobicContact CG1-CE2 4.43Å; I395-I566 HydrophobicContact CB-CD1 4.49Å; I395-I566 HydrophobicContact CD1-CD1 3.77Å; I395-I566 HydrophobicContact CG1-CD1 3.87Å
396	Y	86.9	Confident	84.1	Confident	86 Å²	86	56.6 Å²	56.6	34%	0.337	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-56.3	-46.6	-175.3	-170.2	-89.2	0	0	0	114.5	K391 L393 F398 R399	K391-Y396 HydrophobicContact CG-CD2 4.48Å; K391-Y396 HydrophobicContact CG-CE1 4.21Å; K391-Y396 HydrophobicContact CG-CE2 3.93Å; L393-Y396 VanDerWaalsContact O-CB 3.31Å; L393-Y396 WeakPolarHBondContact O-CB 3.29Å; L393-Y396 PolarHBondContact O-N 2.7Å; Y396-F398 PolarHBondContact O-N 2.89Å; Y396-R399 WeakPolarHBondContact O-CB 3.31Å; Y396-R399 PolarHBondContact O-N 2.91Å
397	P	87.7	Confident	85	Confident	90 Å²	90	56.3 Å²	56.3	58%	0.584	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-61.7	-25.8	177	23.1	-34.7	0	0	0	113.6	P394	P394-P397 WeakPolarHBondContact O-CD 3.45Å; P394-P397 WeakPolarHBondContact O-CG 3.49Å
398	F	88.4	Confident	85.9	Confident	54 Å²	54	59 Å²	59	24%	0.237	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-92.9	9.1	-178.4	-62.7	-75.7	0	0	0	113.3	P394 I395 Y396 E400 D401 I402 F564 I566 P567	P394-F398 WeakPolarHBondContact O-CD2 3.48Å; I395-F398 PolarHBondContact O-N 3.37Å; Y396-F398 PolarHBondContact O-N 2.89Å; F398-E400 PolarHBondContact O-N 3.27Å; F398-D401 PolarHBondContact O-N 3.32Å; F398-I402 HydrophobicContact CB-CD1 4.17Å; F398-I402 HydrophobicContact CB-CG1 4.4Å; F398-I402 WeakPolarHBondContact O-CB 3.46Å; F398-I402 VanDerWaalsContact O-CG1 3.23Å; F398-I402 WeakPolarHBondContact O-CG1 3.28Å; F398-I402 PolarHBondContact O-N 3.37Å; F398-F564 HydrophobicContact CB-CE1 4.11Å; F398-F564 HydrophobicContact CB-CZ 3.97Å; F398-F564 HydrophobicContact CD1-CZ 4.16Å; F398-F564 HydrophobicContact CG-CE1 4.47Å; F398-F564 HydrophobicContact CG-CZ 4.35Å; F398-I566 HydrophobicContact CD2-CG2 4.34Å; F398-P567 HydrophobicContact CE2-CG 4.02Å; F398-P567 HydrophobicContact CZ-CG 3.67Å
399	R	89.4	Confident	86.8	Confident	70 Å²	70	58.2 Å²	58.2	26%	0.264	29%	0.294	S	S	.	.	H	α-helix	trans	-54.3	-51.1	-176.8	175	-178.6	-177.8	-110	8.3	112.5	I395 Y396 L403 Y429 E432	I395-R399 PolarHBondContact O-N 2.96Å; Y396-R399 WeakPolarHBondContact O-CB 3.31Å; Y396-R399 PolarHBondContact O-N 2.91Å; R399-L403 HydrophobicContact CG-CD1 4.29Å; R399-L403 WeakPolarHBondContact O-CG 3.45Å; R399-L403 PolarHBondContact O-N 3.35Å; R399-L403 VanDerWaalsContact O-N 3.1Å; R399-Y429 HydrophobicContact CB-CD2 4.43Å; R399-Y429 HydrophobicContact CB-CE1 4.44Å; R399-Y429 HydrophobicContact CB-CE2 4.02Å; R399-Y429 HydrophobicContact CG-CD1 3.89Å; R399-Y429 HydrophobicContact CG-CD2 4Å; R399-Y429 HydrophobicContact CG-CE1 3.86Å; R399-Y429 HydrophobicContact CG-CE2 3.98Å; R399-Y429 HydrophobicContact CG-CG 3.97Å; R399-E432 IonicContact CZ-OE2 3.74Å; R399-E432 IonicContact NE-OE2 3.77Å; R399-E432 IonicContact NH2-OE2 2.64Å; R399-E432 PolarHBondContact NH2-OE2 3.41Å
400	E	91.4	Very high	87.7	Confident	112 Å²	112	59.1 Å²	59.1	52%	0.523	30%	0.296	S	S	.	.	H	α-helix	trans	-69	-41.9	-177.1	-59.2	-55.9	140	0	0	111.1	F398 I402 L403 Q404	F398-E400 PolarHBondContact O-N 3.27Å; E400-I402 VanDerWaalsContact C-N 3.33Å; E400-I402 PolarHBondContact O-N 3.12Å; E400-L403 PolarHBondContact O-N 3.16Å; E400-Q404 WeakPolarHBondContact O-CB 3.32Å; E400-Q404 PolarHBondContact O-N 3.39Å
401	D	91.4	Very high	88.5	Confident	78 Å²	78	57.8 Å²	57.8	42%	0.417	29%	0.292	S	S	.	.	H	α-helix	trans	-60.8	-41.3	177.4	-56.6	-28.1	0	0	0	111.9	F398 Q404 A405 F564	F398-D401 PolarHBondContact O-N 3.32Å; D401-Q404 PolarHBondContact O-N 3.36Å; D401-A405 WeakPolarHBondContact O-CB 3.16Å; D401-A405 PolarHBondContact O-N 2.95Å; D401-F564 HydrophobicContact CB-CE2 3.93Å; D401-F564 HydrophobicContact CB-CZ 3.97Å
402	I	90.8	Very high	89.1	Confident	4 Å²	4	51.9 Å²	51.9	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-65	-46.5	176.4	-71.5	170.4	0	0	0	110.5	I395 F398 E400 Q404 A405 I406 F564 I566	I395-I402 HydrophobicContact CD1-CD1 3.82Å; I395-I402 HydrophobicContact CG1-CD1 3.58Å; F398-I402 HydrophobicContact CB-CD1 4.17Å; F398-I402 HydrophobicContact CB-CG1 4.4Å; F398-I402 WeakPolarHBondContact O-CB 3.46Å; F398-I402 VanDerWaalsContact O-CG1 3.23Å; F398-I402 WeakPolarHBondContact O-CG1 3.28Å; F398-I402 PolarHBondContact O-N 3.37Å; E400-I402 VanDerWaalsContact C-N 3.33Å; E400-I402 PolarHBondContact O-N 3.12Å; I402-Q404 VanDerWaalsContact C-N 3.31Å; I402-Q404 PolarHBondContact O-N 3.19Å; I402-A405 PolarHBondContact O-N 3.11Å; I402-I406 HydrophobicContact CG2-CD1 3.54Å; I402-I406 HydrophobicContact CG2-CG1 4.35Å; I402-I406 WeakPolarHBondContact O-CD1 3.4Å; I402-I406 WeakPolarHBondContact O-CG1 3.42Å; I402-I406 PolarHBondContact O-N 2.63Å; I402-F564 HydrophobicContact CD1-CD1 4.27Å; I402-F564 HydrophobicContact CD1-CE1 3.74Å; I402-F564 HydrophobicContact CD1-CZ 4.3Å; I402-F564 HydrophobicContact CG1-CD1 3.78Å; I402-F564 HydrophobicContact CG1-CD2 4.49Å; I402-F564 HydrophobicContact CG1-CE1 3.29Å; I402-F564 HydrophobicContact CG1-CE2 4.07Å; I402-F564 HydrophobicContact CG1-CG 4.36Å; I402-F564 HydrophobicContact CG1-CZ 3.46Å; I402-F564 VanDerWaalsContact CG1-CZ 3.46Å; I402-I566 HydrophobicContact CD1-CD1 4.29Å
403	L	92.2	Very high	89.8	Confident	26 Å²	26	49 Å²	49	14%	0.136	25%	0.247	C	C	.	.	H	α-helix	trans	-63.2	-39	178.8	-73.8	175.2	0	0	0	111.9	R399 E400 S407 A433	R399-L403 HydrophobicContact CG-CD1 4.29Å; R399-L403 WeakPolarHBondContact O-CG 3.45Å; R399-L403 PolarHBondContact O-N 3.35Å; R399-L403 VanDerWaalsContact O-N 3.1Å; E400-L403 PolarHBondContact O-N 3.16Å; L403-S407 PolarHBondContact O-N 2.84Å; L403-A433 HydrophobicContact CD2-CB 3.81Å
404	Q	92.4	Very high	90.4	Very high	108 Å²	108	48.6 Å²	48.6	51%	0.505	24%	0.244	S	C	.	.	H	α-helix	trans	-62.6	-50	173.6	-178	174.1	-4.8	0	0	110.9	E400 D401 I402 I406 S407 E408	E400-Q404 WeakPolarHBondContact O-CB 3.32Å; E400-Q404 PolarHBondContact O-N 3.39Å; D401-Q404 PolarHBondContact O-N 3.36Å; I402-Q404 VanDerWaalsContact C-N 3.31Å; I402-Q404 PolarHBondContact O-N 3.19Å; Q404-I406 VanDerWaalsContact C-N 3.32Å; Q404-I406 PolarHBondContact O-N 2.79Å; Q404-S407 WeakPolarHBondContact O-CB 3.34Å; Q404-S407 PolarHBondContact O-N 3.38Å; Q404-S407 PolarHBondContact O-OG 3.45Å; Q404-E408 WeakPolarHBondContact CG-OE1 3.49Å; Q404-E408 PolarHBondContact NE2-OE1 3.29Å; Q404-E408 WeakPolarHBondContact O-CG 3.5Å; Q404-E408 PolarHBondContact O-N 2.87Å; Q404-E408 VanDerWaalsContact O-N 3.08Å
405	A	91.4	Very high	90.8	Very high	18 Å²	18	48.7 Å²	48.7	15%	0.149	24%	0.243	C	C	.	.	H	α-helix	trans	-56.6	-46.2	178.8	0	0	0	0	0	111.5	D401 I402 S407 E408 H409 I412 F564	D401-A405 WeakPolarHBondContact O-CB 3.16Å; D401-A405 PolarHBondContact O-N 2.95Å; I402-A405 PolarHBondContact O-N 3.11Å; A405-S407 VanDerWaalsContact C-N 3.27Å; A405-S407 PolarHBondContact O-N 3.01Å; A405-E408 PolarHBondContact O-N 3.44Å; A405-E408 VanDerWaalsContact O-N 3.15Å; A405-H409 PolarHBondContact O-N 3.24Å; A405-H409 PolarHBondContact O-ND1 2.89Å; A405-I412 HydrophobicContact CB-CD1 3.84Å; A405-I412 WeakPolarHBondContact O-CD1 3.39Å; A405-F564 HydrophobicContact CB-CD2 4.4Å
406	I	91.5	Very high	90.7	Very high	3 Å²	3	49 Å²	49	2%	0.015	25%	0.246	C	C	.	.	H	α-helix	trans	-61.9	-34.3	178	-64.5	161.6	0	0	0	111.8	I402 Q404 I412 L430 K541 L543	I402-I406 HydrophobicContact CG2-CD1 3.54Å; I402-I406 HydrophobicContact CG2-CG1 4.35Å; I402-I406 WeakPolarHBondContact O-CD1 3.4Å; I402-I406 WeakPolarHBondContact O-CG1 3.42Å; I402-I406 PolarHBondContact O-N 2.63Å; Q404-I406 VanDerWaalsContact C-N 3.32Å; Q404-I406 PolarHBondContact O-N 2.79Å; I406-I412 HydrophobicContact CB-CD1 4.22Å; I406-I412 HydrophobicContact CG1-CD1 3.83Å; I406-I412 VanDerWaalsContact N-CD1 3.27Å; I406-L430 HydrophobicContact CD1-CD2 3.93Å; I406-L430 HydrophobicContact CG2-CD2 4.05Å; I406-K541 HydrophobicContact CG2-CG 4.47Å; I406-K541 WeakPolarHBondContact O-CE 3.27Å; I406-K541 PolarHBondContact O-NZ 3.41Å; I406-L543 HydrophobicContact CD1-CD2 3.77Å; I406-L543 HydrophobicContact CG1-CD1 4.39Å; I406-L543 HydrophobicContact CG1-CD2 4.13Å; I406-L543 HydrophobicContact CG1-CG 4.47Å
407	S	90.4	Very high	90.2	Very high	68 Å²	68	47.5 Å²	47.5	48%	0.476	24%	0.242	S	C	.	.	H	α-helix	trans	-67.3	-42.7	175.3	76.6	0	0	0	0	111.8	L403 Q404 A405 K541	L403-S407 PolarHBondContact O-N 2.84Å; Q404-S407 WeakPolarHBondContact O-CB 3.34Å; Q404-S407 PolarHBondContact O-N 3.38Å; Q404-S407 PolarHBondContact O-OG 3.45Å; A405-S407 VanDerWaalsContact C-N 3.27Å; A405-S407 PolarHBondContact O-N 3.01Å; S407-K541 PolarHBondContact O-NZ 3.24Å
408	E	91.5	Very high	89.6	Confident	117 Å²	117	44.5 Å²	44.5	55%	0.547	22%	0.222	S	C	.	.	H	α-helix	trans	-75.1	-39.4	-175.3	-69.6	173.7	-174.2	0	0	113.3	Q404 A405	Q404-E408 WeakPolarHBondContact CG-OE1 3.49Å; Q404-E408 PolarHBondContact NE2-OE1 3.29Å; Q404-E408 WeakPolarHBondContact O-CG 3.5Å; Q404-E408 PolarHBondContact O-N 2.87Å; Q404-E408 VanDerWaalsContact O-N 3.08Å; A405-E408 PolarHBondContact O-N 3.44Å; A405-E408 VanDerWaalsContact O-N 3.15Å
409	H	91.8	Very high	88.8	Confident	76 Å²	76	43.4 Å²	43.4	35%	0.352	23%	0.226	S	C	.	.			trans	-112.5	146.8	-173.3	-58.8	82.8	0	0	0	111.5	A405 I412 K541 P562	A405-H409 PolarHBondContact O-N 3.24Å; A405-H409 PolarHBondContact O-ND1 2.89Å; H409-I412 HydrophobicContact CB-CD1 4.11Å; H409-I412 HydrophobicContact CB-CG1 3.81Å; H409-K541 PolarHBondContact O-NZ 3.47Å; H409-P562 HydrophobicContact CB-CG 3.99Å
410	Q	92	Very high	88.3	Confident	59 Å²	59	40.2 Å²	40.2	28%	0.276	21%	0.214	S	C	.	.	S	Bend	trans	-77.1	-43.4	175.6	-169.5	-175.8	8	0	0	111.6	A534 R537 L540 K541 L542	Q410-A534 PolarHBondContact NE2-O 3.3Å; Q410-R537 PolarHBondContact NE2-O 2.89Å; Q410-L540 WeakPolarHBondContact CG-O 3.16Å; Q410-L540 PolarHBondContact NE2-O 2.96Å; Q410-K541 WeakPolarHBondContact O-CA 3.28Å; Q410-L542 PolarHBondContact O-N 3.2Å
411	I	93.9	Very high	87.8	Confident	22 Å²	22	35.2 Å²	35.2	11%	0.113	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.9	-179.5	-50.4	179.9	0	0	0	108.9	A534 L542 F558 A561 P562	I411-A534 HydrophobicContact CD1-CB 4.06Å; I411-A534 HydrophobicContact CG1-CB 4.49Å; I411-L542 WeakPolarHBondContact CA-O 3.44Å; I411-L542 HydrophobicContact CD1-CD2 4.29Å; I411-L542 HydrophobicContact CG1-CB 4.16Å; I411-L542 HydrophobicContact CG1-CD2 4.29Å; I411-L542 HydrophobicContact CG2-CB 4.29Å; I411-L542 HydrophobicContact CG2-CD2 3.96Å; I411-L542 HydrophobicContact CG2-CG 4.24Å; I411-F558 HydrophobicContact CD1-CB 4.39Å; I411-F558 HydrophobicContact CD1-CD1 4.07Å; I411-F558 HydrophobicContact CG2-CB 4Å; I411-F558 HydrophobicContact CG2-CD1 4.29Å; I411-F558 HydrophobicContact CG2-CG 4.13Å; I411-A561 HydrophobicContact CB-CB 4.16Å; I411-A561 HydrophobicContact CG2-CB 3.94Å; I411-P562 WeakPolarHBondContact O-CD 3.27Å
412	I	94	Very high	87.5	Confident	5 Å²	5	31.8 Å²	31.8	3%	0.026	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	138.2	177.9	-60.6	176.4	0	0	0	110.2	A405 I406 H409 V414 L542 L543 I544 P562 F564	A405-I412 HydrophobicContact CB-CD1 3.84Å; A405-I412 WeakPolarHBondContact O-CD1 3.39Å; I406-I412 HydrophobicContact CB-CD1 4.22Å; I406-I412 HydrophobicContact CG1-CD1 3.83Å; I406-I412 VanDerWaalsContact N-CD1 3.27Å; H409-I412 HydrophobicContact CB-CD1 4.11Å; H409-I412 HydrophobicContact CB-CG1 3.81Å; I412-V414 HydrophobicContact CG2-CG2 4.15Å; I412-L542 PolarHBondContact N-O 3.27Å; I412-L543 WeakPolarHBondContact O-CA 3.43Å; I412-I544 PolarHBondContact O-N 3.21Å; I412-P562 HydrophobicContact CG1-CG 4.21Å; I412-F564 HydrophobicContact CG2-CB 4.12Å
413	I	93.5	Very high	87.4	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	117.8	173.3	-64	157.5	0	0	0	108.7	I544 A551 F554 A561 P562 I563 F564	I413-I544 CarbonylContact C-O 3.4Å; I413-I544 WeakPolarHBondContact CA-O 3.22Å; I413-I544 HydrophobicContact CG1-CB 4.25Å; I413-A551 HydrophobicContact CG2-CB 4.03Å; I413-F554 HydrophobicContact CD1-CB 3.69Å; I413-F554 HydrophobicContact CG1-CB 4.19Å; I413-F554 HydrophobicContact CG2-CB 4.49Å; I413-A561 HydrophobicContact CD1-CB 4.14Å; I413-P562 PolarHBondContact N-O 3.14Å; I413-I563 HydrophobicContact CB-CG1 4.36Å; I413-I563 HydrophobicContact CD1-CG1 4.46Å; I413-I563 CarbonylContact O-C 3.55Å; I413-I563 WeakPolarHBondContact O-CA 3.35Å; I413-F564 PolarHBondContact O-N 3.14Å
414	V	91.5	Very high	87.3	Confident	3 Å²	3	32.8 Å²	32.8	2%	0.018	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	101.4	179.7	-174	0	0	0	0	109.3	I412 K422 I426 L543 I544 S545 S546 I566	I412-V414 HydrophobicContact CG2-CG2 4.15Å; V414-K422 HydrophobicContact CG1-CD 4.12Å; V414-I426 HydrophobicContact CG1-CD1 4.07Å; V414-L543 HydrophobicContact CG2-CD2 4.43Å; V414-I544 PolarHBondContact N-O 3.4Å; V414-S545 WeakPolarHBondContact O-CA 3.45Å; V414-S545 PolarHBondContact O-OG 2.89Å; V414-S546 PolarHBondContact O-N 3.37Å; V414-I566 HydrophobicContact CG1-CD1 3.7Å; V414-I566 HydrophobicContact CG1-CG1 4.47Å
415	E	88.8	Confident	87.2	Confident	23 Å²	23	27.7 Å²	27.7	11%	0.107	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	124.1	174.8	-170.9	-172.5	165.3	0	0	109.4	A551 I563 F564 K565 I566	E415-A551 HydrophobicContact CB-CB 4.33Å; E415-A551 HydrophobicContact CG-CB 4.47Å; E415-I563 HydrophobicContact CB-CG2 4.24Å; E415-F564 PolarHBondContact N-O 2.59Å; E415-K565 HydrophobicContact CB-CG 4.26Å; E415-K565 VanDerWaalsContact OE2-CD 3.23Å; E415-K565 WeakPolarHBondContact OE2-CD 3.44Å; E415-K565 WeakPolarHBondContact OE2-CE 3.48Å; E415-K565 WeakPolarHBondContact OE2-CG 3.1Å; E415-K565 IonicContact OE2-NZ 3.54Å; E415-K565 PolarHBondContact OE2-NZ 3.38Å; E415-I566 PolarHBondContact O-N 3.13Å
416	G	82.8	Confident	87.3	Confident	6 Å²	6	27 Å²	27	6%	0.062	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.6	149.4	169.6	0	0	0	0	0	112.5	K422 S546 A547	G416-K422 WeakPolarHBondContact O-CE 3.44Å; G416-K422 PolarHBondContact O-NZ 2.88Å; G416-S546 PolarHBondContact N-O 3.04Å; G416-A547 WeakPolarHBondContact O-CA 3.38Å
417	E	76.9	Confident	87.4	Confident	56 Å²	56	27 Å²	27	26%	0.262	15%	0.152	S	C	.	.			trans	-67.2	161.2	-174	-66	174.8	131.5	0	0	112.6	G419 S420 K422 G568 R569	E417-G419 PolarHBondContact O-N 3.16Å; E417-S420 WeakPolarHBondContact O-CB 3.33Å; E417-S420 PolarHBondContact O-N 2.79Å; E417-S420 PolarHBondContact O-OG 3.31Å; E417-K422 PolarHBondContact O-NZ 3.23Å; E417-G568 VanDerWaalsContact OE2-C 3.3Å; E417-R569 WeakPolarHBondContact OE1-CG 3.48Å; E417-R569 IonicContact OE1-CZ 3.88Å; E417-R569 IonicContact OE1-NE 3.98Å; E417-R569 PolarHBondContact OE1-NE 3.07Å; E417-R569 IonicContact OE1-NH2 3.76Å; E417-R569 PolarHBondContact OE1-NH2 3.3Å; E417-R569 VanDerWaalsContact OE2-CA 3.29Å; E417-R569 WeakPolarHBondContact OE2-CA 3.46Å; E417-R569 WeakPolarHBondContact OE2-CG 3.36Å; E417-R569 PolarHBondContact OE2-N 3.43Å; E417-R569 IonicContact OE2-NE 3.72Å
418	T	75.1	Confident	87.5	Confident	27 Å²	27	23.7 Å²	23.7	17%	0.166	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	134.7	177.6	66.5	0	0	0	0	111	A547 R723	T418-A547 HydrophobicContact CG2-CB 3.77Å; T418-R723 PolarHBondContact OG1-NE 3.49Å; T418-R723 PolarHBondContact OG1-NH2 3.23Å
419	G	72.4	Confident	87.6	Confident	31 Å²	31	18.2 Å²	18.2	32%	0.32	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.2	0.7	-175.4	0	0	0	0	0	115.6	E417 G421 R570	E417-G419 PolarHBondContact O-N 3.16Å; G419-G421 PolarHBondContact O-N 3.49Å; G419-R570 PolarHBondContact O-NE 2.83Å; G419-R570 PolarHBondContact O-NH2 3.2Å
420	S	78.1	Confident	87.7	Confident	2 Å²	2	14.6 Å²	14.6	1%	0.014	9%	0.087	C	C	.	.	S	Bend	trans	-70.3	-18.5	170.1	55.8	0	0	0	0	113.7	P394 I395 E417 K422	P394-S420 WeakPolarHBondContact CD-O 3.21Å; I395-S420 WeakPolarHBondContact CB-O 3.38Å; I395-S420 WeakPolarHBondContact CG2-O 3.04Å; I395-S420 PolarHBondContact N-O 3.13Å; E417-S420 WeakPolarHBondContact O-CB 3.33Å; E417-S420 PolarHBondContact O-N 2.79Å; E417-S420 PolarHBondContact O-OG 3.31Å; S420-K422 WeakPolarHBondContact OG-CG 3.47Å
421	G	80.5	Confident	87.7	Confident	8 Å²	8	15.2 Å²	15.2	8%	0.082	9%	0.087	C	C	.	.	S	Bend	trans	104.3	4.2	176.4	0	0	0	0	0	115.5	G419 T423 T424 Q425	G419-G421 PolarHBondContact O-N 3.49Å; G421-T423 PolarHBondContact O-N 3.16Å; G421-T424 PolarHBondContact O-N 2.76Å; G421-T424 PolarHBondContact O-OG1 3.48Å; G421-Q425 VanDerWaalsContact O-CB 3.27Å; G421-Q425 WeakPolarHBondContact O-CB 3.32Å; G421-Q425 WeakPolarHBondContact O-CG 3.43Å; G421-Q425 PolarHBondContact O-N 3.28Å
422	K	86.3	Confident	87.5	Confident	5 Å²	5	17.7 Å²	17.7	2%	0.022	10%	0.098	C	C	.	.	H	α-helix	trans	-45.3	-63.1	-177.6	-57.2	-175.3	-48	-65.8	0	113.2	I395 V414 G416 E417 S420 T424 Q425 I426 S545 I566	I395-K422 HydrophobicContact CD1-CG 4.36Å; V414-K422 HydrophobicContact CG1-CD 4.12Å; G416-K422 WeakPolarHBondContact O-CE 3.44Å; G416-K422 PolarHBondContact O-NZ 2.88Å; E417-K422 PolarHBondContact O-NZ 3.23Å; S420-K422 WeakPolarHBondContact OG-CG 3.47Å; K422-T424 VanDerWaalsContact C-N 3.31Å; K422-T424 PolarHBondContact O-N 3.07Å; K422-Q425 PolarHBondContact O-N 2.9Å; K422-I426 HydrophobicContact CB-CD1 3.88Å; K422-I426 HydrophobicContact CG-CD1 4.43Å; K422-I426 WeakPolarHBondContact O-CB 3.5Å; K422-I426 VanDerWaalsContact O-CG1 3.28Å; K422-I426 WeakPolarHBondContact O-CG1 3.43Å; K422-I426 PolarHBondContact O-N 2.73Å; K422-S545 VanDerWaalsContact CD-OG 3.29Å; K422-S545 WeakPolarHBondContact CD-OG 3.29Å; K422-S545 WeakPolarHBondContact CE-OG 3.45Å; K422-I566 HydrophobicContact CD-CD1 4.23Å; K422-I566 HydrophobicContact CG-CD1 3.96Å
423	T	88.6	Confident	87.3	Confident	26 Å²	26	19.9 Å²	19.9	16%	0.16	12%	0.117	C	C	.	.	H	α-helix	trans	-57.8	-40.5	-176.3	-40.8	0	0	0	0	113.3	G421 P427 V455 Y489 D514	G421-T423 PolarHBondContact O-N 3.16Å; T423-P427 VanDerWaalsContact O-CD 3.25Å; T423-P427 WeakPolarHBondContact O-CD 3.26Å; T423-P427 WeakPolarHBondContact O-CG 3.46Å; T423-V455 HydrophobicContact CG2-CB 4.42Å; T423-V455 HydrophobicContact CG2-CG1 3.66Å; T423-V455 HydrophobicContact CG2-CG2 3.99Å; T423-Y489 HydrophobicContact CG2-CE1 4.43Å; T423-Y489 PolarHBondContact O-OH 2.65Å; T423-D514 WeakPolarHBondContact CB-OD2 3.32Å; T423-D514 WeakPolarHBondContact CG2-OD2 3.25Å; T423-D514 PolarHBondContact OG1-OD2 2.76Å
424	T	88.9	Confident	87.1	Confident	26 Å²	26	20.6 Å²	20.6	16%	0.16	12%	0.124	C	C	.	.	H	α-helix	trans	-80.4	-39.3	-177	50.3	0	0	0	0	112.7	G421 K422 Q428 R458 V459	G421-T424 PolarHBondContact O-N 2.76Å; G421-T424 PolarHBondContact O-OG1 3.48Å; K422-T424 VanDerWaalsContact C-N 3.31Å; K422-T424 PolarHBondContact O-N 3.07Å; T424-Q428 WeakPolarHBondContact O-CG 3.44Å; T424-Q428 PolarHBondContact O-NE2 2.81Å; T424-R458 HydrophobicContact CG2-CG 4.41Å; T424-V459 HydrophobicContact CG2-CG2 4.29Å
425	Q	91.2	Very high	86.9	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-96.5	-37.9	-165.6	-61.5	-54.5	-53.8	0	0	113.2	L393 I395 G421 K422 Q428 Y429 E462	L393-Q425 HydrophobicContact CD1-CG 3.51Å; I395-Q425 HydrophobicContact CG2-CB 3.77Å; I395-Q425 HydrophobicContact CG2-CG 3.73Å; G421-Q425 VanDerWaalsContact O-CB 3.27Å; G421-Q425 WeakPolarHBondContact O-CB 3.32Å; G421-Q425 WeakPolarHBondContact O-CG 3.43Å; G421-Q425 PolarHBondContact O-N 3.28Å; K422-Q425 PolarHBondContact O-N 2.9Å; Q425-Q428 WeakPolarHBondContact O-CB 3.25Å; Q425-Q428 PolarHBondContact O-N 3.07Å; Q425-Q428 VanDerWaalsContact O-N 3.11Å; Q425-Y429 HydrophobicContact CB-CD2 4.45Å; Q425-Y429 HydrophobicContact CB-CE1 4.38Å; Q425-Y429 HydrophobicContact CB-CE2 3.8Å; Q425-Y429 WeakPolarHBondContact O-CD2 3.46Å; Q425-Y429 VanDerWaalsContact O-CG 3.26Å; Q425-Y429 PolarHBondContact O-N 2.84Å; Q425-E462 PolarHBondContact NE2-OE2 3.16Å
426	I	93.3	Very high	86.6	Confident	5 Å²	5	22.7 Å²	22.7	3%	0.026	13%	0.134	C	C	.	.	H	α-helix	trans	-58.7	-47.6	-177.7	-63.3	170.2	0	0	0	111.4	I395 V414 K422 Q428 Y429 L430 I512 L543	I395-I426 HydrophobicContact CD1-CD1 3.86Å; I395-I426 HydrophobicContact CD1-CG1 3.49Å; I395-I426 VanDerWaalsContact CD1-CG1 3.49Å; V414-I426 HydrophobicContact CG1-CD1 4.07Å; K422-I426 HydrophobicContact CB-CD1 3.88Å; K422-I426 HydrophobicContact CG-CD1 4.43Å; K422-I426 WeakPolarHBondContact O-CB 3.5Å; K422-I426 VanDerWaalsContact O-CG1 3.28Å; K422-I426 WeakPolarHBondContact O-CG1 3.43Å; K422-I426 PolarHBondContact O-N 2.73Å; I426-Q428 VanDerWaalsContact C-N 3.28Å; I426-Q428 PolarHBondContact O-N 3.17Å; I426-Y429 PolarHBondContact O-N 2.93Å; I426-L430 HydrophobicContact CG2-CD1 4.1Å; I426-L430 WeakPolarHBondContact O-CG 3.34Å; I426-L430 PolarHBondContact O-N 2.83Å; I426-I512 HydrophobicContact CG2-CD1 4.02Å; I426-L543 HydrophobicContact CG2-CD2 3.64Å
427	P	94	Very high	86.4	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.006	17%	0.167	C	C	.	.	H	α-helix	trans	-61.3	-35.1	176.7	-24	35.9	0	0	0	113.2	T423 Y431 V442 C444 I487 Y489 I512	T423-P427 VanDerWaalsContact O-CD 3.25Å; T423-P427 WeakPolarHBondContact O-CD 3.26Å; T423-P427 WeakPolarHBondContact O-CG 3.46Å; P427-Y431 WeakPolarHBondContact O-CB 3.38Å; P427-Y431 PolarHBondContact O-N 2.7Å; P427-V442 HydrophobicContact CB-CG1 4.36Å; P427-C444 HydrophobicContact CG-CB 4.43Å; P427-I487 HydrophobicContact CB-CD1 4.43Å; P427-I487 HydrophobicContact CB-CG2 3.86Å; P427-Y489 HydrophobicContact CG-CE1 4.34Å; P427-Y489 WeakPolarHBondContact CG-OH 3.49Å; P427-I512 HydrophobicContact CB-CD1 4.39Å; P427-I512 HydrophobicContact CG-CD1 3.76Å
428	Q	93	Very high	86.5	Confident	0 Å²	0	34 Å²	34	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.9	-43.1	175.9	-66.7	178.9	53.8	0	0	111.3	T424 Q425 I426 L430 Y431 E432 V459 E462 M463	T424-Q428 WeakPolarHBondContact O-CG 3.44Å; T424-Q428 PolarHBondContact O-NE2 2.81Å; Q425-Q428 WeakPolarHBondContact O-CB 3.25Å; Q425-Q428 PolarHBondContact O-N 3.07Å; Q425-Q428 VanDerWaalsContact O-N 3.11Å; I426-Q428 VanDerWaalsContact C-N 3.28Å; I426-Q428 PolarHBondContact O-N 3.17Å; Q428-L430 VanDerWaalsContact C-N 3.33Å; Q428-L430 PolarHBondContact O-N 3.27Å; Q428-Y431 PolarHBondContact O-N 2.87Å; Q428-E432 WeakPolarHBondContact O-CB 3.4Å; Q428-E432 VanDerWaalsContact O-CG 3.29Å; Q428-E432 WeakPolarHBondContact O-CG 3.26Å; Q428-E432 PolarHBondContact O-N 3.16Å; Q428-V459 HydrophobicContact CG-CG1 3.99Å; Q428-E462 PolarHBondContact NE2-OE2 3.1Å; Q428-M463 HydrophobicContact CG-CG 4.26Å; Q428-M463 HydrophobicContact CG-SD 4.05Å
429	Y	93.5	Very high	86.8	Confident	1 Å²	1	35.9 Å²	35.9	0%	0.004	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-40	177.5	-59.7	-26.8	0	0	0	112	I395 R399 Q425 I426 E432 A433	I395-Y429 HydrophobicContact CG1-CE2 4.43Å; R399-Y429 HydrophobicContact CB-CD2 4.43Å; R399-Y429 HydrophobicContact CB-CE1 4.44Å; R399-Y429 HydrophobicContact CB-CE2 4.02Å; R399-Y429 HydrophobicContact CG-CD1 3.89Å; R399-Y429 HydrophobicContact CG-CD2 4Å; R399-Y429 HydrophobicContact CG-CE1 3.86Å; R399-Y429 HydrophobicContact CG-CE2 3.98Å; R399-Y429 HydrophobicContact CG-CG 3.97Å; Q425-Y429 HydrophobicContact CB-CD2 4.45Å; Q425-Y429 HydrophobicContact CB-CE1 4.38Å; Q425-Y429 HydrophobicContact CB-CE2 3.8Å; Q425-Y429 WeakPolarHBondContact O-CD2 3.46Å; Q425-Y429 VanDerWaalsContact O-CG 3.26Å; Q425-Y429 PolarHBondContact O-N 2.84Å; I426-Y429 PolarHBondContact O-N 2.93Å; Y429-E432 PolarHBondContact O-N 3.38Å; Y429-A433 VanDerWaalsContact O-CB 3.27Å; Y429-A433 WeakPolarHBondContact O-CB 3.41Å; Y429-A433 PolarHBondContact O-N 3.44Å
430	L	93	Very high	87.6	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.8	-41.4	175.3	-70.9	168.7	0	0	0	112.5	I406 I426 Q428 A433 G434 Y435 V442 V510 I512	I406-L430 HydrophobicContact CD1-CD2 3.93Å; I406-L430 HydrophobicContact CG2-CD2 4.05Å; I426-L430 HydrophobicContact CG2-CD1 4.1Å; I426-L430 WeakPolarHBondContact O-CG 3.34Å; I426-L430 PolarHBondContact O-N 2.83Å; Q428-L430 VanDerWaalsContact C-N 3.33Å; Q428-L430 PolarHBondContact O-N 3.27Å; L430-A433 PolarHBondContact O-N 3.43Å; L430-G434 PolarHBondContact O-N 2.96Å; L430-Y435 HydrophobicContact CB-CD2 4.34Å; L430-Y435 HydrophobicContact CD2-CD2 3.7Å; L430-Y435 HydrophobicContact CD2-CE2 3.8Å; L430-Y435 HydrophobicContact CD2-CG 4.33Å; L430-Y435 WeakPolarHBondContact O-CD2 3.38Å; L430-Y435 PolarHBondContact O-N 3.32Å; L430-V442 HydrophobicContact CB-CG2 4.13Å; L430-V442 HydrophobicContact CD1-CG1 4.07Å; L430-V510 HydrophobicContact CD1-CB 4.2Å; L430-V510 HydrophobicContact CD1-CG1 3.66Å; L430-V510 HydrophobicContact CD1-CG2 4.46Å; L430-V510 HydrophobicContact CD2-CG1 4.41Å; L430-V510 HydrophobicContact CD2-CG2 4.25Å; L430-I512 HydrophobicContact CD1-CD1 3.83Å; L430-I512 HydrophobicContact CD1-CG1 4.4Å
431	Y	92	Very high	88.3	Confident	72 Å²	72	39.1 Å²	39.1	28%	0.282	22%	0.217	S	C	.	.	H	α-helix	trans	-62.1	-47.8	174.4	177.6	-94.2	0	0	0	111.3	P427 Q428 A433 G434 C436 M463 E470 A486 I487	P427-Y431 WeakPolarHBondContact O-CB 3.38Å; P427-Y431 PolarHBondContact O-N 2.7Å; Q428-Y431 PolarHBondContact O-N 2.87Å; Y431-A433 VanDerWaalsContact C-N 3.34Å; Y431-A433 PolarHBondContact O-N 2.82Å; Y431-G434 PolarHBondContact O-N 3.49Å; Y431-G434 VanDerWaalsContact O-N 3.09Å; Y431-C436 HydrophobicContact CD2-CB 3.97Å; Y431-C436 HydrophobicContact CE2-CB 4.3Å; Y431-M463 HydrophobicContact CD1-CE 3.62Å; Y431-M463 HydrophobicContact CE1-CE 3.66Å; Y431-E470 PolarHBondContact OH-OE2 2.88Å; Y431-A486 HydrophobicContact CD2-CB 3.78Å; Y431-A486 HydrophobicContact CE2-CB 3.54Å; Y431-I487 HydrophobicContact CD2-CG1 4.32Å; Y431-I487 HydrophobicContact CG-CD1 4.24Å
432	E	90.8	Very high	89	Confident	74 Å²	74	38.8 Å²	38.8	35%	0.346	21%	0.213	S	C	.	.	H	α-helix	trans	-62.3	-37.3	177.3	-71.4	169.4	-172.5	0	0	112.6	R390 R399 Q428 Y429 G434	R390-E432 IonicContact CZ-OE1 3.61Å; R390-E432 IonicContact NH1-OE1 2.8Å; R390-E432 PolarHBondContact NH1-OE1 3.3Å; R390-E432 VanDerWaalsContact NH1-OE1 3.16Å; R390-E432 IonicContact NH2-OE1 3.56Å; R390-E432 PolarHBondContact NH2-OE1 3.47Å; R390-E432 IonicContact NH2-OE2 3.24Å; R399-E432 IonicContact CZ-OE2 3.74Å; R399-E432 IonicContact NE-OE2 3.77Å; R399-E432 IonicContact NH2-OE2 2.64Å; R399-E432 PolarHBondContact NH2-OE2 3.41Å; Q428-E432 WeakPolarHBondContact O-CB 3.4Å; Q428-E432 VanDerWaalsContact O-CG 3.29Å; Q428-E432 WeakPolarHBondContact O-CG 3.26Å; Q428-E432 PolarHBondContact O-N 3.16Å; Y429-E432 PolarHBondContact O-N 3.38Å; E432-G434 PolarHBondContact O-N 3.49Å
433	A	90.2	Very high	89.4	Confident	52 Å²	52	38.5 Å²	38.5	43%	0.43	21%	0.212	S	C	.	.	H	α-helix	trans	-69	-14	176.2	0	0	0	0	0	113.3	L403 Y429 L430 Y431 Y435	L403-A433 HydrophobicContact CD2-CB 3.81Å; Y429-A433 VanDerWaalsContact O-CB 3.27Å; Y429-A433 WeakPolarHBondContact O-CB 3.41Å; Y429-A433 PolarHBondContact O-N 3.44Å; L430-A433 PolarHBondContact O-N 3.43Å; Y431-A433 VanDerWaalsContact C-N 3.34Å; Y431-A433 PolarHBondContact O-N 2.82Å; A433-Y435 HydrophobicContact CB-CD2 3.96Å; A433-Y435 HydrophobicContact CB-CE2 4Å
434	G	88.1	Confident	89.7	Confident	14 Å²	14	37.3 Å²	37.3	14%	0.144	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.8	15.6	172.7	0	0	0	0	0	115.4	L430 Y431 E432 C436 K437	L430-G434 PolarHBondContact O-N 2.96Å; Y431-G434 PolarHBondContact O-N 3.49Å; Y431-G434 VanDerWaalsContact O-N 3.09Å; E432-G434 PolarHBondContact O-N 3.49Å; G434-C436 PolarHBondContact O-N 3.02Å; G434-C436 VanDerWaalsContact O-N 3.1Å; G434-K437 WeakPolarHBondContact O-CB 3.41Å; G434-K437 PolarHBondContact O-N 3.37Å; G434-K437 VanDerWaalsContact O-N 3.12Å
435	Y	86.9	Confident	90	Very high	51 Å²	51	36 Å²	36	20%	0.2	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-12.8	176	-75.3	-86.6	0	0	0	113.7	L430 A433 N509 V510 K541	L430-Y435 HydrophobicContact CB-CD2 4.34Å; L430-Y435 HydrophobicContact CD2-CD2 3.7Å; L430-Y435 HydrophobicContact CD2-CE2 3.8Å; L430-Y435 HydrophobicContact CD2-CG 4.33Å; L430-Y435 WeakPolarHBondContact O-CD2 3.38Å; L430-Y435 PolarHBondContact O-N 3.32Å; A433-Y435 HydrophobicContact CB-CD2 3.96Å; A433-Y435 HydrophobicContact CB-CE2 4Å; Y435-N509 WeakPolarHBondContact O-CB 3.32Å; Y435-N509 PolarHBondContact O-ND2 3.48Å; Y435-V510 HydrophobicContact CD1-CG2 3.64Å; Y435-V510 HydrophobicContact CE1-CG2 4.31Å; Y435-V510 HydrophobicContact CG-CG2 3.84Å; Y435-K541 HydrophobicContact CE1-CG 4.22Å
436	C	83.4	Confident	90	Very high	20 Å²	20	36.2 Å²	36.2	14%	0.135	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	4	176.5	-57.2	0	0	0	0	114.5	Y431 G434 D438 K440 V442 A486	Y431-C436 HydrophobicContact CD2-CB 3.97Å; Y431-C436 HydrophobicContact CE2-CB 4.3Å; G434-C436 PolarHBondContact O-N 3.02Å; G434-C436 VanDerWaalsContact O-N 3.1Å; C436-D438 VanDerWaalsContact C-N 3.33Å; C436-D438 PolarHBondContact O-N 3.03Å; C436-K440 VanDerWaalsContact CA-O 3.31Å; C436-K440 WeakPolarHBondContact CA-O 3.39Å; C436-V442 VanDerWaalsContact SG-CG2 3.6Å; C436-A486 HydrophobicContact CB-CB 4.09Å
437	K	77.7	Confident	89.7	Confident	171 Å²	171	37.3 Å²	37.3	74%	0.743	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-25.8	-173.4	-73.4	177.1	-179.4	170.9	0	113.9	G434 G439	G434-K437 WeakPolarHBondContact O-CB 3.41Å; G434-K437 PolarHBondContact O-N 3.37Å; G434-K437 VanDerWaalsContact O-N 3.12Å; K437-G439 PolarHBondContact O-N 2.94Å
438	D	79.2	Confident	89.2	Confident	128 Å²	128	39.6 Å²	39.6	68%	0.684	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	14.7	-178.9	-56.6	-33.2	0	0	0	113.5	C436 K440	C436-D438 VanDerWaalsContact C-N 3.33Å; C436-D438 PolarHBondContact O-N 3.03Å; D438-K440 PolarHBondContact O-N 3.47Å
439	G	81.5	Confident	88.6	Confident	67 Å²	67	44 Å²	44	69%	0.691	23%	0.23	S	C	*	.	S	Bend	trans	77.5	-1.5	-173.7	0	0	0	0	0	114.5	K437	K437-G439 PolarHBondContact O-N 2.94Å
440	K	88.6	Confident	87.9	Confident	54 Å²	54	47.4 Å²	47.4	24%	0.235	25%	0.251	C	S	.	.			trans	-84	161.6	174.2	-68.3	176.8	173.6	173.3	0	112	C436 D438 A507 N509 R537 D539	C436-K440 VanDerWaalsContact CA-O 3.31Å; C436-K440 WeakPolarHBondContact CA-O 3.39Å; D438-K440 PolarHBondContact O-N 3.47Å; K440-A507 CarbonylContact C-O 3.47Å; K440-A507 WeakPolarHBondContact CA-O 3.5Å; K440-N509 HydrophobicContact CB-CB 4.07Å; K440-N509 HydrophobicContact CD-CB 4.28Å; K440-N509 WeakPolarHBondContact CD-OD1 3.22Å; K440-N509 WeakPolarHBondContact CE-OD1 3.41Å; K440-N509 PolarHBondContact NZ-OD1 3.26Å; K440-R537 VanDerWaalsContact NZ-NH2 3.14Å; K440-D539 IonicContact NZ-OD2 3.16Å; K440-D539 PolarHBondContact NZ-OD2 3.3Å
441	K	92.8	Very high	87.4	Confident	47 Å²	47	47.4 Å²	47.4	20%	0.204	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	160.4	-171.6	-55.2	-178.3	-177.9	179.5	0	112	T485 A486 A507 Y508 N509	K441-T485 WeakPolarHBondContact CD-O 3.24Å; K441-T485 WeakPolarHBondContact CE-O 3.37Å; K441-T485 VanDerWaalsContact CG-O 3.3Å; K441-T485 WeakPolarHBondContact CG-O 3.3Å; K441-A486 CarbonylContact C-O 3.5Å; K441-A486 WeakPolarHBondContact CA-O 3.41Å; K441-A507 PolarHBondContact N-O 3.27Å; K441-Y508 HydrophobicContact CB-CD1 3.92Å; K441-Y508 HydrophobicContact CB-CE1 4.05Å; K441-Y508 WeakPolarHBondContact O-CA 3.33Å; K441-N509 PolarHBondContact O-N 3.2Å
442	V	95	Very high	87.1	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	117.8	164.6	174	0	0	0	0	107.6	P427 L430 C436 A486 K488 V510 I512	P427-V442 HydrophobicContact CB-CG1 4.36Å; L430-V442 HydrophobicContact CB-CG2 4.13Å; L430-V442 HydrophobicContact CD1-CG1 4.07Å; C436-V442 VanDerWaalsContact SG-CG2 3.6Å; V442-A486 PolarHBondContact N-O 3.28Å; V442-K488 PolarHBondContact O-N 3.48Å; V442-V510 WeakPolarHBondContact CA-O 3.48Å; V442-V510 HydrophobicContact CG1-CB 4.47Å; V442-V510 HydrophobicContact CG2-CB 4.23Å; V442-V510 HydrophobicContact CG2-CG2 4.42Å; V442-I512 HydrophobicContact CG1-CD1 4.1Å
443	G	94.9	Very high	86.7	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	130.6	175.3	0	0	0	0	0	110.4	K488 V510 I512	G443-K488 WeakPolarHBondContact CA-O 3.39Å; G443-V510 PolarHBondContact N-O 3.44Å; G443-I512 PolarHBondContact O-N 2.93Å
444	C	95.7	Very high	86.3	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	117.4	170.8	179.9	0	0	0	0	109.2	P427 K488 Y489 M490 I512	P427-C444 HydrophobicContact CG-CB 4.43Å; C444-K488 PolarHBondContact N-O 3.27Å; C444-Y489 HydrophobicContact CB-CD1 3.71Å; C444-Y489 HydrophobicContact CB-CE1 3.74Å; C444-Y489 CarbonylContact O-C 3.58Å; C444-Y489 VanDerWaalsContact O-CA 3.29Å; C444-Y489 WeakPolarHBondContact O-CA 3.49Å; C444-M490 PolarHBondContact O-N 3.02Å; C444-I512 WeakPolarHBondContact CA-O 3.4Å; C444-I512 HydrophobicContact CB-CB 4.28Å
445	T	95.1	Very high	86.3	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	148.3	177.6	59.2	0	0	0	0	111	M490 D492 L495 M511 I512 I513 D514	T445-M490 CarbonylContact C-O 3.51Å; T445-M490 VanDerWaalsContact CA-O 3.24Å; T445-M490 WeakPolarHBondContact CA-O 3.25Å; T445-M490 HydrophobicContact CG2-CG 3.93Å; T445-D492 WeakPolarHBondContact CB-OD1 3.43Å; T445-L495 HydrophobicContact CG2-CB 3.95Å; T445-L495 HydrophobicContact CG2-CD2 3.47Å; T445-L495 VanDerWaalsContact CG2-CD2 3.47Å; T445-L495 HydrophobicContact CG2-CG 4.31Å; T445-M511 HydrophobicContact CG2-SD 4.31Å; T445-I512 PolarHBondContact N-O 2.77Å; T445-I512 PolarHBondContact OG1-O 2.85Å; T445-I512 VanDerWaalsContact OG1-O 3.12Å; T445-I513 VanDerWaalsContact OG1-CA 3.3Å; T445-I513 WeakPolarHBondContact OG1-CA 3.44Å; T445-D514 WeakPolarHBondContact O-CB 3.36Å; T445-D514 PolarHBondContact O-N 3.44Å
446	Q	91.3	Very high	86.4	Confident	3 Å²	3	41.7 Å²	41.7	1%	0.014	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	132.2	175.6	-71.2	-67.6	-43	0	0	108.4	R448 A451 A452 M490 T491 D492 D514	Q446-R448 PolarHBondContact O-N 2.98Å; Q446-R448 VanDerWaalsContact O-N 3.13Å; Q446-A451 HydrophobicContact CB-CB 4.33Å; Q446-A451 HydrophobicContact CG-CB 4.43Å; Q446-A452 HydrophobicContact CB-CB 4.14Å; Q446-A452 HydrophobicContact CG-CB 4.43Å; Q446-M490 PolarHBondContact N-O 2.66Å; Q446-T491 VanDerWaalsContact O-CA 3.29Å; Q446-T491 WeakPolarHBondContact O-CA 3.14Å; Q446-D492 PolarHBondContact N-OD1 2.72Å; Q446-D514 VanDerWaalsContact NE2-CB 3.33Å; Q446-D514 PolarHBondContact NE2-OD2 3.26Å
447	P	87.3	Confident	86.6	Confident	28 Å²	28	43.4 Å²	43.4	18%	0.182	24%	0.237	C	C	.	.	S	Bend	trans	-63.5	-25.6	179.6	23.2	-33	0	0	0	112.3	E515 E518 T520	P447-E515 HydrophobicContact CG-CB 3.91Å; P447-E518 HydrophobicContact CB-CB 4.48Å; P447-E518 HydrophobicContact CG-CB 4.3Å; P447-E518 VanDerWaalsContact CG-CD 3.44Å; P447-E518 HydrophobicContact CG-CG 4.16Å; P447-T520 HydrophobicContact CB-CG2 3.62Å
448	R	82.9	Confident	86.9	Confident	50 Å²	50	40.2 Å²	40.2	19%	0.189	22%	0.22	C	C	.	.	S	Bend	trans	-112.9	132.9	-174.8	-58.5	-173.6	-174.9	-178.5	-15.3	113.2	Q446 V450 A451 A452 E518 N670 I671 T674 S675	Q446-R448 PolarHBondContact O-N 2.98Å; Q446-R448 VanDerWaalsContact O-N 3.13Å; R448-V450 PolarHBondContact O-N 2.81Å; R448-A451 HydrophobicContact CB-CB 4.1Å; R448-A451 WeakPolarHBondContact O-CB 3.49Å; R448-A451 PolarHBondContact O-N 2.91Å; R448-A451 VanDerWaalsContact O-N 3.13Å; R448-A452 PolarHBondContact O-N 3.29Å; R448-A452 VanDerWaalsContact O-N 3.1Å; R448-E518 IonicContact CZ-OE1 3.93Å; R448-E518 IonicContact NE-OE1 3.29Å; R448-E518 PolarHBondContact NE-OE1 2.81Å; R448-E518 IonicContact NE-OE2 3.1Å; R448-E518 PolarHBondContact NE-OE2 3.22Å; R448-N670 PolarHBondContact NH2-O 3.05Å; R448-I671 PolarHBondContact NH1-O 3.21Å; R448-T674 PolarHBondContact NE-OG1 2.98Å; R448-T674 PolarHBondContact NH1-O 3.15Å; R448-T674 PolarHBondContact NH1-OG1 2.76Å; R448-T674 PolarHBondContact NH2-OG1 3.23Å; R448-S675 WeakPolarHBondContact CD-OG 3.22Å
449	R	81.5	Confident	87.5	Confident	92 Å²	92	34.1 Å²	34.1	35%	0.347	19%	0.188	S	C	.	.	H	α-helix	trans	-54.2	-47.5	176.3	-67.5	178.4	65.5	175.4	3.3	113.2	A451 A452 M453 I475 R476 T491	R449-A451 VanDerWaalsContact C-N 3.27Å; R449-A451 PolarHBondContact O-N 2.65Å; R449-A452 PolarHBondContact O-N 3.48Å; R449-M453 WeakPolarHBondContact O-CG 3.36Å; R449-M453 PolarHBondContact O-N 3Å; R449-I475 HydrophobicContact CB-CD1 4.38Å; R449-I475 HydrophobicContact CB-CG2 4.49Å; R449-I475 HydrophobicContact CG-CB 4.28Å; R449-I475 HydrophobicContact CG-CG2 4.48Å; R449-R476 VanDerWaalsContact CZ-O 3.24Å; R449-R476 PolarHBondContact NH2-O 3.21Å; R449-T491 HydrophobicContact CB-CG2 4.46Å; R449-T491 HydrophobicContact CG-CG2 3.83Å
450	V	77.6	Confident	87.9	Confident	72 Å²	72	31.1 Å²	31.1	44%	0.436	16%	0.156	S	C	.	.	H	α-helix	trans	-64.1	-34.8	-178.5	-178.4	0	0	0	0	111.3	R448 S454	R448-V450 PolarHBondContact O-N 2.81Å; V450-S454 WeakPolarHBondContact O-CB 3.45Å; V450-S454 PolarHBondContact O-N 3.19Å; V450-S454 PolarHBondContact O-OG 3.03Å
451	A	82.9	Confident	87.8	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-66.5	-49.5	175.7	0	0	0	0	0	110.8	Q446 R448 R449 M453 S454 V455	Q446-A451 HydrophobicContact CB-CB 4.33Å; Q446-A451 HydrophobicContact CG-CB 4.43Å; R448-A451 HydrophobicContact CB-CB 4.1Å; R448-A451 WeakPolarHBondContact O-CB 3.49Å; R448-A451 PolarHBondContact O-N 2.91Å; R448-A451 VanDerWaalsContact O-N 3.13Å; R449-A451 VanDerWaalsContact C-N 3.27Å; R449-A451 PolarHBondContact O-N 2.65Å; A451-M453 VanDerWaalsContact C-N 3.34Å; A451-M453 PolarHBondContact O-N 3.39Å; A451-S454 PolarHBondContact O-N 3.39Å; A451-S454 PolarHBondContact O-OG 3.13Å; A451-V455 VanDerWaalsContact O-CB 3.24Å; A451-V455 WeakPolarHBondContact O-CB 3.44Å; A451-V455 WeakPolarHBondContact O-CG2 3.18Å; A451-V455 PolarHBondContact O-N 2.96Å
452	A	86.2	Confident	87.6	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-55.6	-47.3	177.3	0	0	0	0	0	112.3	Q446 R448 R449 A456 I475	Q446-A452 HydrophobicContact CB-CB 4.14Å; Q446-A452 HydrophobicContact CG-CB 4.43Å; R448-A452 PolarHBondContact O-N 3.29Å; R448-A452 VanDerWaalsContact O-N 3.1Å; R449-A452 PolarHBondContact O-N 3.48Å; A452-A456 WeakPolarHBondContact O-CB 3.5Å; A452-A456 PolarHBondContact O-N 3.06Å; A452-I475 HydrophobicContact CB-CG2 4.01Å
453	M	82	Confident	87.2	Confident	62 Å²	62	32.9 Å²	32.9	31%	0.305	17%	0.172	S	C	.	.	H	α-helix	trans	-65.8	-49.5	179.5	-64.8	173.4	81.4	0	0	112.6	R449 A451 A456 S457 Y473 I475	R449-M453 WeakPolarHBondContact O-CG 3.36Å; R449-M453 PolarHBondContact O-N 3Å; A451-M453 VanDerWaalsContact C-N 3.34Å; A451-M453 PolarHBondContact O-N 3.39Å; M453-A456 PolarHBondContact O-N 3.46Å; M453-S457 WeakPolarHBondContact O-CB 3.35Å; M453-S457 PolarHBondContact O-N 3.38Å; M453-Y473 HydrophobicContact CE-CE2 4.28Å; M453-Y473 HydrophobicContact CG-CD2 3.96Å; M453-Y473 HydrophobicContact CG-CE2 3.7Å; M453-Y473 HydrophobicContact CG-CG 4.49Å; M453-I475 HydrophobicContact CE-CD1 4.46Å; M453-I475 HydrophobicContact CG-CD1 3.82Å; M453-I475 HydrophobicContact SD-CD1 3.56Å; M453-I475 VanDerWaalsContact SD-CD1 3.56Å
454	S	81.5	Confident	86.9	Confident	60 Å²	60	39.9 Å²	39.9	42%	0.42	21%	0.209	S	C	.	.	H	α-helix	trans	-67.2	-41.9	-174.9	59.8	0	0	0	0	112	V450 A451 S457 R458	V450-S454 WeakPolarHBondContact O-CB 3.45Å; V450-S454 PolarHBondContact O-N 3.19Å; V450-S454 PolarHBondContact O-OG 3.03Å; A451-S454 PolarHBondContact O-N 3.39Å; A451-S454 PolarHBondContact O-OG 3.13Å; S454-S457 PolarHBondContact O-N 2.98Å; S454-R458 WeakPolarHBondContact O-CB 3.47Å; S454-R458 PolarHBondContact O-N 3.47Å
455	V	87.5	Confident	86.5	Confident	20 Å²	20	41.4 Å²	41.4	12%	0.121	22%	0.218	C	C	.	.	H	α-helix	trans	-65.6	-45.9	175.7	171.8	0	0	0	0	110.5	T423 A451 S457 R458 V459 Y489	T423-V455 HydrophobicContact CG2-CB 4.42Å; T423-V455 HydrophobicContact CG2-CG1 3.66Å; T423-V455 HydrophobicContact CG2-CG2 3.99Å; A451-V455 VanDerWaalsContact O-CB 3.24Å; A451-V455 WeakPolarHBondContact O-CB 3.44Å; A451-V455 WeakPolarHBondContact O-CG2 3.18Å; A451-V455 PolarHBondContact O-N 2.96Å; V455-S457 VanDerWaalsContact C-N 3.32Å; V455-S457 PolarHBondContact O-N 3.36Å; V455-R458 WeakPolarHBondContact O-CB 3.32Å; V455-R458 PolarHBondContact O-N 3.13Å; V455-R458 VanDerWaalsContact O-N 3.14Å; V455-V459 HydrophobicContact CG1-CG2 4.15Å; V455-V459 WeakPolarHBondContact O-CB 3.34Å; V455-V459 VanDerWaalsContact O-CG2 3.25Å; V455-V459 WeakPolarHBondContact O-CG2 3.5Å; V455-V459 PolarHBondContact O-N 3.39Å; V455-Y489 HydrophobicContact CB-CE1 4.49Å; V455-Y489 HydrophobicContact CG1-CD1 3.83Å; V455-Y489 HydrophobicContact CG1-CE1 3.38Å; V455-Y489 HydrophobicContact CG1-CE2 4.35Å; V455-Y489 HydrophobicContact CG1-CG 4.49Å
456	A	90.2	Very high	86.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.8	-44.2	177.7	0	0	0	0	0	111.6	A452 M453 R458 V459 A460 L467 V471 Y473 Y489	A452-A456 WeakPolarHBondContact O-CB 3.5Å; A452-A456 PolarHBondContact O-N 3.06Å; M453-A456 PolarHBondContact O-N 3.46Å; A456-R458 VanDerWaalsContact C-N 3.34Å; A456-R458 PolarHBondContact O-N 2.66Å; A456-V459 PolarHBondContact O-N 3.19Å; A456-A460 VanDerWaalsContact O-CB 3.28Å; A456-A460 WeakPolarHBondContact O-CB 3.45Å; A456-A460 PolarHBondContact O-N 3.26Å; A456-L467 HydrophobicContact CB-CD1 3.96Å; A456-V471 HydrophobicContact CB-CG1 4.45Å; A456-V471 WeakPolarHBondContact O-CG1 3.42Å; A456-Y473 HydrophobicContact CB-CD1 4.04Å; A456-Y473 HydrophobicContact CB-CG 4.37Å; A456-Y489 HydrophobicContact CB-CD2 3.65Å; A456-Y489 HydrophobicContact CB-CE2 4.46Å; A456-Y489 HydrophobicContact CB-CG 4.11Å
457	S	86.6	Confident	86	Confident	57 Å²	57	51.9 Å²	51.9	40%	0.399	27%	0.266	S	S	.	.	H	α-helix	trans	-62.3	-40.7	175	-173.1	0	0	0	0	112.2	M453 S454 V455 T461	M453-S457 WeakPolarHBondContact O-CB 3.35Å; M453-S457 PolarHBondContact O-N 3.38Å; S454-S457 PolarHBondContact O-N 2.98Å; V455-S457 VanDerWaalsContact C-N 3.32Å; V455-S457 PolarHBondContact O-N 3.36Å; S457-T461 PolarHBondContact O-N 3.24Å; S457-T461 VanDerWaalsContact O-N 3.1Å; S457-T461 PolarHBondContact O-OG1 3.38Å
458	R	84.8	Confident	86	Confident	104 Å²	104	51.1 Å²	51.1	39%	0.392	26%	0.263	S	S	.	.	H	α-helix	trans	-64.2	-47.5	177.5	177.2	60.8	-175.5	-159.2	1.3	111.2	T424 S454 V455 A456 T461 E462	T424-R458 HydrophobicContact CG2-CG 4.41Å; S454-R458 WeakPolarHBondContact O-CB 3.47Å; S454-R458 PolarHBondContact O-N 3.47Å; V455-R458 WeakPolarHBondContact O-CB 3.32Å; V455-R458 PolarHBondContact O-N 3.13Å; V455-R458 VanDerWaalsContact O-N 3.14Å; A456-R458 VanDerWaalsContact C-N 3.34Å; A456-R458 PolarHBondContact O-N 2.66Å; R458-T461 WeakPolarHBondContact O-CB 3.32Å; R458-T461 PolarHBondContact O-N 2.76Å; R458-T461 VanDerWaalsContact O-N 3.14Å; R458-E462 IonicContact CZ-OE1 2.72Å; R458-E462 IonicContact NE-OE1 2.79Å; R458-E462 PolarHBondContact NE-OE1 2.99Å; R458-E462 IonicContact NH2-OE1 2.74Å; R458-E462 PolarHBondContact NH2-OE1 3.42Å; R458-E462 WeakPolarHBondContact O-CG 3.49Å; R458-E462 PolarHBondContact O-N 3.28Å
459	V	90.7	Very high	86.3	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-68.6	-37.2	-178.2	173.2	0	0	0	0	111	T424 Q428 V455 A456 T461 E462 M463 V471 Y489	T424-V459 HydrophobicContact CG2-CG2 4.29Å; Q428-V459 HydrophobicContact CG-CG1 3.99Å; V455-V459 HydrophobicContact CG1-CG2 4.15Å; V455-V459 WeakPolarHBondContact O-CB 3.34Å; V455-V459 VanDerWaalsContact O-CG2 3.25Å; V455-V459 WeakPolarHBondContact O-CG2 3.5Å; V455-V459 PolarHBondContact O-N 3.39Å; A456-V459 PolarHBondContact O-N 3.19Å; V459-T461 VanDerWaalsContact C-N 3.27Å; V459-T461 PolarHBondContact O-N 3.45Å; V459-E462 PolarHBondContact O-N 3.39Å; V459-M463 HydrophobicContact CG1-CG 4.36Å; V459-M463 WeakPolarHBondContact O-CB 3.35Å; V459-M463 WeakPolarHBondContact O-CG 3.26Å; V459-M463 PolarHBondContact O-N 2.89Å; V459-V471 HydrophobicContact CB-CG1 4.32Å; V459-V471 HydrophobicContact CG1-CG1 4.17Å; V459-V471 HydrophobicContact CG1-CG2 4.07Å; V459-Y489 HydrophobicContact CB-CE2 4.17Å; V459-Y489 HydrophobicContact CG1-CE2 4.26Å; V459-Y489 HydrophobicContact CG2-CE2 4.23Å; V459-Y489 WeakPolarHBondContact CG2-OH 3.29Å
460	A	90.5	Very high	86.8	Confident	4 Å²	4	51.7 Å²	51.7	3%	0.033	27%	0.273	C	S	.	.	H	α-helix	trans	-58.8	-41.3	170.7	0	0	0	0	0	111.6	A456 N464 V465 L467 V471	A456-A460 VanDerWaalsContact O-CB 3.28Å; A456-A460 WeakPolarHBondContact O-CB 3.45Å; A456-A460 PolarHBondContact O-N 3.26Å; A460-N464 PolarHBondContact O-N 3.32Å; A460-N464 VanDerWaalsContact O-N 3.1Å; A460-V465 CarbonylContact C-O 3.46Å; A460-V465 HydrophobicContact CB-CG2 4.09Å; A460-V465 PolarHBondContact O-N 2.92Å; A460-V465 VanDerWaalsContact O-O 3.14Å; A460-L467 HydrophobicContact CB-CB 4.36Å; A460-L467 HydrophobicContact CB-CD1 4.2Å; A460-V471 HydrophobicContact CB-CB 4.17Å; A460-V471 HydrophobicContact CB-CG1 4.31Å
461	T	87.6	Confident	87.5	Confident	70 Å²	70	48.3 Å²	48.3	43%	0.429	25%	0.253	S	S	.	.	H	α-helix	trans	-67.9	-41.2	175.4	-51.3	0	0	0	0	112	I386 S457 R458 V459 M463 N464	I386-T461 HydrophobicContact CD1-CG2 4.11Å; S457-T461 PolarHBondContact O-N 3.24Å; S457-T461 VanDerWaalsContact O-N 3.1Å; S457-T461 PolarHBondContact O-OG1 3.38Å; R458-T461 WeakPolarHBondContact O-CB 3.32Å; R458-T461 PolarHBondContact O-N 2.76Å; R458-T461 VanDerWaalsContact O-N 3.14Å; V459-T461 VanDerWaalsContact C-N 3.27Å; V459-T461 PolarHBondContact O-N 3.45Å; T461-M463 VanDerWaalsContact C-N 3.34Å; T461-M463 PolarHBondContact O-N 2.97Å; T461-N464 PolarHBondContact O-N 3.39Å
462	E	87.6	Confident	88	Confident	25 Å²	25	48.3 Å²	48.3	12%	0.117	25%	0.252	C	S	.	.	H	α-helix	trans	-65	-36.7	177.7	-72.1	-174.5	-173.5	0	0	112.7	I386 Q425 Q428 R458 V459 N464	I386-E462 HydrophobicContact CG2-CB 4.42Å; I386-E462 HydrophobicContact CG2-CG 3.82Å; Q425-E462 PolarHBondContact NE2-OE2 3.16Å; Q428-E462 PolarHBondContact NE2-OE2 3.1Å; R458-E462 IonicContact CZ-OE1 2.72Å; R458-E462 IonicContact NE-OE1 2.79Å; R458-E462 PolarHBondContact NE-OE1 2.99Å; R458-E462 IonicContact NH2-OE1 2.74Å; R458-E462 PolarHBondContact NH2-OE1 3.42Å; R458-E462 WeakPolarHBondContact O-CG 3.49Å; R458-E462 PolarHBondContact O-N 3.28Å; V459-E462 PolarHBondContact O-N 3.39Å; E462-N464 VanDerWaalsContact C-N 3.32Å
463	M	87.4	Confident	88.2	Confident	43 Å²	43	48.9 Å²	48.9	21%	0.212	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-4.1	176.9	-67.9	-71.5	-71	0	0	113.3	Q428 Y431 V459 T461 V465	Q428-M463 HydrophobicContact CG-CG 4.26Å; Q428-M463 HydrophobicContact CG-SD 4.05Å; Y431-M463 HydrophobicContact CD1-CE 3.62Å; Y431-M463 HydrophobicContact CE1-CE 3.66Å; V459-M463 HydrophobicContact CG1-CG 4.36Å; V459-M463 WeakPolarHBondContact O-CB 3.35Å; V459-M463 WeakPolarHBondContact O-CG 3.26Å; V459-M463 PolarHBondContact O-N 2.89Å; T461-M463 VanDerWaalsContact C-N 3.34Å; T461-M463 PolarHBondContact O-N 2.97Å; M463-V465 VanDerWaalsContact C-N 3.3Å; M463-V465 HydrophobicContact CB-CG1 4.26Å; M463-V465 HydrophobicContact CB-CG2 3.99Å; M463-V465 PolarHBondContact O-N 2.87Å
464	N	87.4	Confident	88.5	Confident	147 Å²	147	45.9 Å²	45.9	79%	0.786	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	39.1	-172	-65.8	-54.6	0	0	0	114.1	A460 T461 E462	A460-N464 PolarHBondContact O-N 3.32Å; A460-N464 VanDerWaalsContact O-N 3.1Å; T461-N464 PolarHBondContact O-N 3.39Å; E462-N464 VanDerWaalsContact C-N 3.32Å
465	V	88.8	Confident	88.6	Confident	32 Å²	32	43.1 Å²	43.1	19%	0.194	22%	0.22	C	C	.	.			trans	-114.3	155	177.7	-60.8	0	0	0	0	111.3	A460 M463 E470 V471	A460-V465 CarbonylContact C-O 3.46Å; A460-V465 HydrophobicContact CB-CG2 4.09Å; A460-V465 PolarHBondContact O-N 2.92Å; A460-V465 VanDerWaalsContact O-O 3.14Å; M463-V465 VanDerWaalsContact C-N 3.3Å; M463-V465 HydrophobicContact CB-CG1 4.26Å; M463-V465 HydrophobicContact CB-CG2 3.99Å; M463-V465 PolarHBondContact O-N 2.87Å; V465-E470 HydrophobicContact CB-CB 4.49Å; V465-E470 HydrophobicContact CG1-CB 4.29Å; V465-E470 HydrophobicContact CG1-CG 4.41Å; V465-E470 WeakPolarHBondContact CG1-OE2 3.27Å; V465-E470 HydrophobicContact CG2-CB 4.4Å; V465-V471 HydrophobicContact CG2-CB 4.16Å; V465-V471 HydrophobicContact CG2-CG2 3.84Å
466	K	88.1	Confident	88	Confident	161 Å²	161	46.2 Å²	46.2	70%	0.7	23%	0.23	S	C	*	.			trans	-74.5	132.3	172.4	-168.8	-178.9	179	-175.6	0	109.4	G468 M469	K466-G468 PolarHBondContact O-N 3.19Å; K466-M469 HydrophobicContact CB-CG 4.15Å; K466-M469 WeakPolarHBondContact O-CB 3.46Å; K466-M469 PolarHBondContact O-N 3.17Å; K466-M469 VanDerWaalsContact O-N 3.09Å
467	L	87.1	Confident	86.9	Confident	61 Å²	61	47.9 Å²	47.9	32%	0.319	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-54.5	132.9	171.9	-170.7	63.1	0	0	0	110.5	A456 A460 Y473	A456-L467 HydrophobicContact CB-CD1 3.96Å; A460-L467 HydrophobicContact CB-CB 4.36Å; A460-L467 HydrophobicContact CB-CD1 4.2Å; L467-Y473 HydrophobicContact CD1-CD1 4.11Å; L467-Y473 HydrophobicContact CD1-CE1 4.44Å; L467-Y473 HydrophobicContact CD2-CD1 4.31Å; L467-Y473 HydrophobicContact CD2-CE1 3.83Å; L467-Y473 HydrophobicContact CG-CD1 4.39Å; L467-Y473 HydrophobicContact CG-CE1 4.24Å
468	G	86.2	Confident	86.2	Confident	12 Å²	12	48.7 Å²	48.7	12%	0.124	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	-11	-175	0	0	0	0	0	115.1	K466 V471 C480 S482 T485	K466-G468 PolarHBondContact O-N 3.19Å; G468-V471 PolarHBondContact N-O 3.27Å; G468-C480 WeakPolarHBondContact CA-O 3.36Å; G468-S482 VanDerWaalsContact O-CB 3.27Å; G468-S482 WeakPolarHBondContact O-CB 3.49Å; G468-S482 PolarHBondContact O-N 2.84Å; G468-S482 PolarHBondContact O-OG 3.27Å; G468-T485 PolarHBondContact O-OG1 3.25Å
469	M	90.2	Very high	86.1	Confident	80 Å²	80	48 Å²	48	39%	0.394	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-106.4	171.6	-64.6	-75.7	126.3	0	0	109.3	K466 R484 T485	K466-M469 HydrophobicContact CB-CG 4.15Å; K466-M469 WeakPolarHBondContact O-CB 3.46Å; K466-M469 PolarHBondContact O-N 3.17Å; K466-M469 VanDerWaalsContact O-N 3.09Å; M469-R484 CarbonylContact O-C 3.58Å; M469-T485 WeakPolarHBondContact O-CA 3.41Å; M469-T485 WeakPolarHBondContact O-CB 3.21Å; M469-T485 PolarHBondContact O-N 3.37Å; M469-T485 VanDerWaalsContact O-N 3.1Å; M469-T485 PolarHBondContact O-OG1 2.92Å
470	E	91.4	Very high	85.9	Confident	75 Å²	75	50 Å²	50	35%	0.35	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-33.1	-178.9	-65.7	178.8	-163.2	0	0	113.2	Y431 V465 A486 I487	Y431-E470 PolarHBondContact OH-OE2 2.88Å; V465-E470 HydrophobicContact CB-CB 4.49Å; V465-E470 HydrophobicContact CG1-CB 4.29Å; V465-E470 HydrophobicContact CG1-CG 4.41Å; V465-E470 WeakPolarHBondContact CG1-OE2 3.27Å; V465-E470 HydrophobicContact CG2-CB 4.4Å; E470-A486 PolarHBondContact O-N 2.95Å; E470-I487 PolarHBondContact O-N 3.06Å
471	V	93.6	Very high	85.8	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	125.5	175.5	-179.8	0	0	0	0	108.1	A456 V459 A460 V465 G468 I487 Y489	A456-V471 HydrophobicContact CB-CG1 4.45Å; A456-V471 WeakPolarHBondContact O-CG1 3.42Å; V459-V471 HydrophobicContact CB-CG1 4.32Å; V459-V471 HydrophobicContact CG1-CG1 4.17Å; V459-V471 HydrophobicContact CG1-CG2 4.07Å; A460-V471 HydrophobicContact CB-CB 4.17Å; A460-V471 HydrophobicContact CB-CG1 4.31Å; V465-V471 HydrophobicContact CG2-CB 4.16Å; V465-V471 HydrophobicContact CG2-CG2 3.84Å; G468-V471 PolarHBondContact N-O 3.27Å; V471-I487 WeakPolarHBondContact CA-O 3.43Å; V471-I487 HydrophobicContact CG2-CB 4.35Å; V471-I487 HydrophobicContact CG2-CD1 4.4Å; V471-Y489 HydrophobicContact CG1-CD2 4.25Å; V471-Y489 HydrophobicContact CG1-CE2 4.07Å
472	G	91.9	Very high	85.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	173.8	-179.9	0	0	0	0	0	112	C480 I487 Y489	G472-C480 WeakPolarHBondContact CA-O 3.4Å; G472-I487 PolarHBondContact N-O 3.46Å; G472-Y489 PolarHBondContact O-N 2.99Å
473	Y	90.6	Very high	85.7	Confident	12 Å²	12	57 Å²	57	5%	0.047	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	152.8	172	68.4	-88.6	0	0	0	112.8	M453 A456 L467 I475 E478 C480 Y489	M453-Y473 HydrophobicContact CE-CE2 4.28Å; M453-Y473 HydrophobicContact CG-CD2 3.96Å; M453-Y473 HydrophobicContact CG-CE2 3.7Å; M453-Y473 HydrophobicContact CG-CG 4.49Å; A456-Y473 HydrophobicContact CB-CD1 4.04Å; A456-Y473 HydrophobicContact CB-CG 4.37Å; L467-Y473 HydrophobicContact CD1-CD1 4.11Å; L467-Y473 HydrophobicContact CD1-CE1 4.44Å; L467-Y473 HydrophobicContact CD2-CD1 4.31Å; L467-Y473 HydrophobicContact CD2-CE1 3.83Å; L467-Y473 HydrophobicContact CG-CD1 4.39Å; L467-Y473 HydrophobicContact CG-CE1 4.24Å; Y473-I475 HydrophobicContact CD2-CD1 4.45Å; Y473-I475 HydrophobicContact CD2-CG1 4.34Å; Y473-I475 HydrophobicContact CD2-CG2 4.11Å; Y473-I475 HydrophobicContact CE2-CD1 4.08Å; Y473-I475 HydrophobicContact CE2-CG1 4.22Å; Y473-E478 HydrophobicContact CE2-CG 4.03Å; Y473-E478 PolarHBondContact OH-OE1 3Å; Y473-C480 HydrophobicContact CD1-CB 3.84Å; Y473-C480 HydrophobicContact CD2-CB 4.43Å; Y473-C480 HydrophobicContact CE1-CB 3.45Å; Y473-C480 VanDerWaalsContact CE1-CB 3.45Å; Y473-C480 HydrophobicContact CE2-CB 4.13Å; Y473-C480 HydrophobicContact CG-CB 4.32Å; Y473-C480 PolarHBondContact N-O 3.09Å; Y473-C480 CarbonylContact O-C 3.51Å; Y473-C480 WeakPolarHBondContact O-CA 3.38Å; Y473-C480 PolarHBondContact O-N 3.37Å; Y473-C480 PolarHBondContact OH-SG 3.29Å; Y473-Y489 CarbonylContact C-O 3.58Å; Y473-Y489 WeakPolarHBondContact CA-O 3.48Å; Y473-Y489 WeakPolarHBondContact CB-O 3.39Å
474	S	88.4	Confident	85.7	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	115.5	174.9	-172.4	0	0	0	0	110	D479 K488 Y489 M490 T491	S474-D479 PolarHBondContact OG-OD2 2.7Å; S474-K488 VanDerWaalsContact CB-CE 3.46Å; S474-Y489 PolarHBondContact N-O 2.66Å; S474-M490 WeakPolarHBondContact O-CA 3.34Å; S474-M490 VanDerWaalsContact O-CB 3.31Å; S474-M490 WeakPolarHBondContact O-CB 3.26Å; S474-T491 PolarHBondContact O-N 3.32Å
475	I	83.3	Confident	85.9	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	163.3	178.6	64.4	-178.6	0	0	0	109.4	R449 A452 M453 Y473 F477 E478 T491	R449-I475 HydrophobicContact CB-CD1 4.38Å; R449-I475 HydrophobicContact CB-CG2 4.49Å; R449-I475 HydrophobicContact CG-CB 4.28Å; R449-I475 HydrophobicContact CG-CG2 4.48Å; A452-I475 HydrophobicContact CB-CG2 4.01Å; M453-I475 HydrophobicContact CE-CD1 4.46Å; M453-I475 HydrophobicContact CG-CD1 3.82Å; M453-I475 HydrophobicContact SD-CD1 3.56Å; M453-I475 VanDerWaalsContact SD-CD1 3.56Å; Y473-I475 HydrophobicContact CD2-CD1 4.45Å; Y473-I475 HydrophobicContact CD2-CG1 4.34Å; Y473-I475 HydrophobicContact CD2-CG2 4.11Å; Y473-I475 HydrophobicContact CE2-CD1 4.08Å; Y473-I475 HydrophobicContact CE2-CG1 4.22Å; I475-F477 PolarHBondContact O-N 2.95Å; I475-F477 VanDerWaalsContact O-N 3.07Å; I475-E478 HydrophobicContact CD1-CB 4.06Å; I475-E478 HydrophobicContact CG1-CB 3.69Å; I475-E478 HydrophobicContact CG1-CG 4.43Å; I475-E478 WeakPolarHBondContact CG1-O 3.39Å; I475-E478 PolarHBondContact N-O 3.35Å; I475-E478 CarbonylContact O-C 3.56Å; I475-E478 PolarHBondContact O-N 3.28Å; I475-T491 HydrophobicContact CB-CG2 4.36Å; I475-T491 HydrophobicContact CG2-CG2 3.93Å
476	R	75.6	Confident	86.1	Confident	85 Å²	85	53.1 Å²	53.1	32%	0.321	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	121.9	176.6	-166.6	-178.3	169.3	170.4	-8.8	110	R449 M494 P814	R449-R476 VanDerWaalsContact CZ-O 3.24Å; R449-R476 PolarHBondContact NH2-O 3.21Å; R476-M494 HydrophobicContact CB-SD 4.38Å; R476-P814 PolarHBondContact NH1-O 3.32Å; R476-P814 PolarHBondContact NH2-O 2.86Å
477	F	67.7	Low	86.4	Confident	35 Å²	35	45.5 Å²	45.5	15%	0.154	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	9.9	-176.8	-41.1	-70.5	0	0	0	117.6	I475 P814 V909 Q912	I475-F477 PolarHBondContact O-N 2.95Å; I475-F477 VanDerWaalsContact O-N 3.07Å; F477-P814 HydrophobicContact CE1-CG 4.29Å; F477-V909 HydrophobicContact CD1-CB 4.45Å; F477-V909 HydrophobicContact CD1-CG2 3.86Å; F477-V909 HydrophobicContact CD2-CG2 3.82Å; F477-V909 HydrophobicContact CE1-CB 4.3Å; F477-V909 HydrophobicContact CE1-CG1 3.96Å; F477-V909 HydrophobicContact CE1-CG2 3.83Å; F477-V909 HydrophobicContact CE2-CG2 3.76Å; F477-V909 HydrophobicContact CG-CG2 3.87Å; F477-V909 HydrophobicContact CZ-CG1 4.08Å; F477-V909 HydrophobicContact CZ-CG2 3.76Å; F477-Q912 VanDerWaalsContact C-NE2 3.26Å; F477-Q912 VanDerWaalsContact CA-NE2 3.3Å; F477-Q912 VanDerWaalsContact CA-OE1 3.22Å; F477-Q912 VanDerWaalsContact CD1-OE1 3.25Å; F477-Q912 PolarHBondContact O-NE2 3.5Å
478	E	71.8	Confident	86.8	Confident	75 Å²	75	43.3 Å²	43.3	35%	0.35	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	119	174.8	179.4	176.1	-166.2	0	0	110.2	Y473 I475	Y473-E478 HydrophobicContact CE2-CG 4.03Å; Y473-E478 PolarHBondContact OH-OE1 3Å; I475-E478 HydrophobicContact CD1-CB 4.06Å; I475-E478 HydrophobicContact CG1-CB 3.69Å; I475-E478 HydrophobicContact CG1-CG 4.43Å; I475-E478 WeakPolarHBondContact CG1-O 3.39Å; I475-E478 PolarHBondContact N-O 3.35Å; I475-E478 CarbonylContact O-C 3.56Å; I475-E478 PolarHBondContact O-N 3.28Å
479	D	83.2	Confident	87.2	Confident	88 Å²	88	42.7 Å²	42.7	47%	0.471	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	117.1	176.2	-161.2	-37.1	0	0	0	110.2	S474 T481	S474-D479 PolarHBondContact OG-OD2 2.7Å; D479-T481 VanDerWaalsContact OD1-CB 3.29Å; D479-T481 WeakPolarHBondContact OD1-CB 3.45Å; D479-T481 VanDerWaalsContact OD1-CG2 3.26Å; D479-T481 WeakPolarHBondContact OD1-CG2 3.38Å; D479-T481 PolarHBondContact OD1-N 3.17Å; D479-T481 PolarHBondContact OD1-OG1 3.31Å
480	C	85.7	Confident	87.4	Confident	43 Å²	43	38.9 Å²	38.9	29%	0.291	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	61	175.7	-76.4	0	0	0	0	109.5	G468 G472 Y473	G468-C480 WeakPolarHBondContact CA-O 3.36Å; G472-C480 WeakPolarHBondContact CA-O 3.4Å; Y473-C480 HydrophobicContact CD1-CB 3.84Å; Y473-C480 HydrophobicContact CD2-CB 4.43Å; Y473-C480 HydrophobicContact CE1-CB 3.45Å; Y473-C480 VanDerWaalsContact CE1-CB 3.45Å; Y473-C480 HydrophobicContact CE2-CB 4.13Å; Y473-C480 HydrophobicContact CG-CB 4.32Å; Y473-C480 PolarHBondContact N-O 3.09Å; Y473-C480 CarbonylContact O-C 3.51Å; Y473-C480 WeakPolarHBondContact O-CA 3.38Å; Y473-C480 PolarHBondContact O-N 3.37Å; Y473-C480 PolarHBondContact OH-SG 3.29Å
481	T	87.4	Confident	87.4	Confident	44 Å²	44	36 Å²	36	27%	0.27	18%	0.176	S	C	.	.			trans	-127.4	160.7	175	65.5	0	0	0	0	112	D479 T485 K488	D479-T481 VanDerWaalsContact OD1-CB 3.29Å; D479-T481 WeakPolarHBondContact OD1-CB 3.45Å; D479-T481 VanDerWaalsContact OD1-CG2 3.26Å; D479-T481 WeakPolarHBondContact OD1-CG2 3.38Å; D479-T481 PolarHBondContact OD1-N 3.17Å; D479-T481 PolarHBondContact OD1-OG1 3.31Å; T481-T485 HydrophobicContact CG2-CG2 4.25Å; T481-K488 HydrophobicContact CG2-CD 4.03Å; T481-K488 HydrophobicContact CG2-CG 3.9Å
482	S	87.9	Confident	87.3	Confident	36 Å²	36	36 Å²	36	25%	0.252	18%	0.176	S	C	.	.			trans	-137.5	175.8	174.7	65.1	0	0	0	0	110.7	G468 R484 T485	G468-S482 VanDerWaalsContact O-CB 3.27Å; G468-S482 WeakPolarHBondContact O-CB 3.49Å; G468-S482 PolarHBondContact O-N 2.84Å; G468-S482 PolarHBondContact O-OG 3.27Å; S482-R484 PolarHBondContact O-N 3Å; S482-R484 VanDerWaalsContact O-N 3.15Å; S482-R484 PolarHBondContact OG-N 2.79Å; S482-T485 PolarHBondContact N-OG1 3.46Å; S482-T485 WeakPolarHBondContact O-CB 3.48Å; S482-T485 PolarHBondContact O-N 3.15Å; S482-T485 PolarHBondContact O-OG1 3.11Å
483	E	86	Confident	87.1	Confident	165 Å²	165	37 Å²	37	77%	0.771	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-25.2	173	-64.4	179.9	177.8	0	0	112.7
484	R	86.9	Confident	87	Confident	124 Å²	124	37.5 Å²	37.5	47%	0.468	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-7.2	179	-64.5	-174.1	178.8	-177.9	0.8	114.3	Y204 M469 S482 A486	Y204-R484 VanDerWaalsContact CZ-NH1 3.27Å; Y204-R484 PolarHBondContact OH-NH1 3.49Å; Y204-R484 PolarHBondContact OH-NH2 3.18Å; M469-R484 CarbonylContact O-C 3.58Å; S482-R484 PolarHBondContact O-N 3Å; S482-R484 VanDerWaalsContact O-N 3.15Å; S482-R484 PolarHBondContact OG-N 2.79Å; R484-A486 PolarHBondContact O-N 3.17Å; R484-A486 VanDerWaalsContact O-N 3.11Å
485	T	91.3	Very high	87.2	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.012	19%	0.189	C	C	.	.			trans	-67.5	112.8	-177.1	-57.5	0	0	0	0	110.2	K441 G468 M469 T481 S482 I487 K488	K441-T485 WeakPolarHBondContact CD-O 3.24Å; K441-T485 WeakPolarHBondContact CE-O 3.37Å; K441-T485 VanDerWaalsContact CG-O 3.3Å; K441-T485 WeakPolarHBondContact CG-O 3.3Å; G468-T485 PolarHBondContact O-OG1 3.25Å; M469-T485 WeakPolarHBondContact O-CA 3.41Å; M469-T485 WeakPolarHBondContact O-CB 3.21Å; M469-T485 PolarHBondContact O-N 3.37Å; M469-T485 VanDerWaalsContact O-N 3.1Å; M469-T485 PolarHBondContact O-OG1 2.92Å; T481-T485 HydrophobicContact CG2-CG2 4.25Å; S482-T485 PolarHBondContact N-OG1 3.46Å; S482-T485 WeakPolarHBondContact O-CB 3.48Å; S482-T485 PolarHBondContact O-N 3.15Å; S482-T485 PolarHBondContact O-OG1 3.11Å; T485-I487 VanDerWaalsContact CG2-O 3.29Å; T485-I487 WeakPolarHBondContact CG2-O 3.34Å; T485-K488 HydrophobicContact CG2-CB 4.21Å
486	A	93.1	Very high	87.5	Confident	15 Å²	15	37.5 Å²	37.5	12%	0.124	19%	0.189	C	C	.	.	S	Bend	trans	-95.6	-35.8	177.4	0	0	0	0	0	111.4	Y431 C436 K441 V442 E470 R484	Y431-A486 HydrophobicContact CD2-CB 3.78Å; Y431-A486 HydrophobicContact CE2-CB 3.54Å; C436-A486 HydrophobicContact CB-CB 4.09Å; K441-A486 CarbonylContact C-O 3.5Å; K441-A486 WeakPolarHBondContact CA-O 3.41Å; V442-A486 PolarHBondContact N-O 3.28Å; E470-A486 PolarHBondContact O-N 2.95Å; R484-A486 PolarHBondContact O-N 3.17Å; R484-A486 VanDerWaalsContact O-N 3.11Å
487	I	95.2	Very high	87.9	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	115.9	175.4	-54.5	176.3	0	0	0	108.5	P427 Y431 E470 V471 G472 T485 Y489	P427-I487 HydrophobicContact CB-CD1 4.43Å; P427-I487 HydrophobicContact CB-CG2 3.86Å; Y431-I487 HydrophobicContact CD2-CG1 4.32Å; Y431-I487 HydrophobicContact CG-CD1 4.24Å; E470-I487 PolarHBondContact O-N 3.06Å; V471-I487 WeakPolarHBondContact CA-O 3.43Å; V471-I487 HydrophobicContact CG2-CB 4.35Å; V471-I487 HydrophobicContact CG2-CD1 4.4Å; G472-I487 PolarHBondContact N-O 3.46Å; T485-I487 VanDerWaalsContact CG2-O 3.29Å; T485-I487 WeakPolarHBondContact CG2-O 3.34Å; I487-Y489 HydrophobicContact CG2-CD2 4.24Å; I487-Y489 HydrophobicContact CG2-CE2 3.63Å
488	K	95	Very high	88.8	Confident	14 Å²	14	37.3 Å²	37.3	6%	0.061	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	113.8	-178.8	-172.8	176.7	168	-177.3	0	110.2	V442 G443 C444 S474 T481 T485 M490 E498 Y508	V442-K488 PolarHBondContact O-N 3.48Å; G443-K488 WeakPolarHBondContact CA-O 3.39Å; C444-K488 PolarHBondContact N-O 3.27Å; S474-K488 VanDerWaalsContact CB-CE 3.46Å; T481-K488 HydrophobicContact CG2-CD 4.03Å; T481-K488 HydrophobicContact CG2-CG 3.9Å; T485-K488 HydrophobicContact CG2-CB 4.21Å; K488-M490 HydrophobicContact CB-CE 4.16Å; K488-M490 HydrophobicContact CD-CE 3.8Å; K488-M490 HydrophobicContact CG-CE 3.82Å; K488-E498 WeakPolarHBondContact CE-OE1 3.26Å; K488-E498 IonicContact NZ-OE1 3.49Å; K488-E498 PolarHBondContact NZ-OE1 2.84Å; K488-E498 IonicContact NZ-OE2 2.87Å; K488-Y508 WeakPolarHBondContact CD-OH 3.28Å; K488-Y508 PolarHBondContact NZ-OH 2.9Å
489	Y	95.1	Very high	89.5	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	131.5	168.9	-68.7	-84.9	0	0	0	109.5	T423 P427 C444 V455 A456 V459 V471 G472 Y473 S474 I487	T423-Y489 HydrophobicContact CG2-CE1 4.43Å; T423-Y489 PolarHBondContact O-OH 2.65Å; P427-Y489 HydrophobicContact CG-CE1 4.34Å; P427-Y489 WeakPolarHBondContact CG-OH 3.49Å; C444-Y489 HydrophobicContact CB-CD1 3.71Å; C444-Y489 HydrophobicContact CB-CE1 3.74Å; C444-Y489 CarbonylContact O-C 3.58Å; C444-Y489 VanDerWaalsContact O-CA 3.29Å; C444-Y489 WeakPolarHBondContact O-CA 3.49Å; V455-Y489 HydrophobicContact CB-CE1 4.49Å; V455-Y489 HydrophobicContact CG1-CD1 3.83Å; V455-Y489 HydrophobicContact CG1-CE1 3.38Å; V455-Y489 HydrophobicContact CG1-CE2 4.35Å; V455-Y489 HydrophobicContact CG1-CG 4.49Å; A456-Y489 HydrophobicContact CB-CD2 3.65Å; A456-Y489 HydrophobicContact CB-CE2 4.46Å; A456-Y489 HydrophobicContact CB-CG 4.11Å; V459-Y489 HydrophobicContact CB-CE2 4.17Å; V459-Y489 HydrophobicContact CG1-CE2 4.26Å; V459-Y489 HydrophobicContact CG2-CE2 4.23Å; V459-Y489 WeakPolarHBondContact CG2-OH 3.29Å; V471-Y489 HydrophobicContact CG1-CD2 4.25Å; V471-Y489 HydrophobicContact CG1-CE2 4.07Å; G472-Y489 PolarHBondContact O-N 2.99Å; Y473-Y489 CarbonylContact C-O 3.58Å; Y473-Y489 WeakPolarHBondContact CA-O 3.48Å; Y473-Y489 WeakPolarHBondContact CB-O 3.39Å; S474-Y489 PolarHBondContact N-O 2.66Å; I487-Y489 HydrophobicContact CG2-CD2 4.24Å; I487-Y489 HydrophobicContact CG2-CE2 3.63Å
490	M	93.6	Very high	89.4	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	162.6	-179.5	68.2	-167	83	0	0	111.6	C444 T445 Q446 S474 K488 M494 L495 Y508	C444-M490 PolarHBondContact O-N 3.02Å; T445-M490 CarbonylContact C-O 3.51Å; T445-M490 VanDerWaalsContact CA-O 3.24Å; T445-M490 WeakPolarHBondContact CA-O 3.25Å; T445-M490 HydrophobicContact CG2-CG 3.93Å; Q446-M490 PolarHBondContact N-O 2.66Å; S474-M490 WeakPolarHBondContact O-CA 3.34Å; S474-M490 VanDerWaalsContact O-CB 3.31Å; S474-M490 WeakPolarHBondContact O-CB 3.26Å; K488-M490 HydrophobicContact CB-CE 4.16Å; K488-M490 HydrophobicContact CD-CE 3.8Å; K488-M490 HydrophobicContact CG-CE 3.82Å; M490-M494 HydrophobicContact CB-CB 4.41Å; M490-L495 HydrophobicContact CG-CB 4.31Å; M490-L495 HydrophobicContact SD-CB 3.7Å; M490-L495 HydrophobicContact SD-CD1 3.91Å; M490-L495 HydrophobicContact SD-CG 4.33Å; M490-Y508 HydrophobicContact CE-CE1 3.84Å; M490-Y508 WeakPolarHBondContact CE-OH 3.44Å
491	T	91.8	Very high	89	Confident	13 Å²	13	33.3 Å²	33.3	8%	0.08	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	149.5	166.8	48.5	0	0	0	0	111	Q446 R449 S474 I475 G493 M494 L495	Q446-T491 VanDerWaalsContact O-CA 3.29Å; Q446-T491 WeakPolarHBondContact O-CA 3.14Å; R449-T491 HydrophobicContact CB-CG2 4.46Å; R449-T491 HydrophobicContact CG-CG2 3.83Å; S474-T491 PolarHBondContact O-N 3.32Å; I475-T491 HydrophobicContact CB-CG2 4.36Å; I475-T491 HydrophobicContact CG2-CG2 3.93Å; T491-G493 PolarHBondContact O-N 2.81Å; T491-M494 WeakPolarHBondContact O-CA 3.47Å; T491-M494 WeakPolarHBondContact O-CB 3.07Å; T491-M494 PolarHBondContact O-N 2.86Å; T491-M494 VanDerWaalsContact OG1-CG 3.31Å; T491-M494 WeakPolarHBondContact OG1-CG 3.44Å; T491-L495 PolarHBondContact O-N 2.97Å
492	D	91.7	Very high	88.8	Confident	3 Å²	3	35.9 Å²	35.9	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-50.2	-44	178.4	-58.8	16.8	0	0	0	112	T445 Q446 M494 L495 L496 H522 T523 L526	T445-D492 WeakPolarHBondContact CB-OD1 3.43Å; Q446-D492 PolarHBondContact N-OD1 2.72Å; D492-M494 VanDerWaalsContact C-N 3.28Å; D492-M494 PolarHBondContact O-N 3.24Å; D492-L495 PolarHBondContact O-N 3.47Å; D492-L496 PolarHBondContact O-N 3.32Å; D492-H522 HydrophobicContact CB-CB 3.74Å; D492-T523 PolarHBondContact OD2-OG1 2.8Å; D492-L526 HydrophobicContact CB-CD1 3.77Å
493	G	88.4	Confident	88.6	Confident	19 Å²	19	37.6 Å²	37.6	20%	0.196	19%	0.192	C	C	.	.	H	α-helix	trans	-66.6	-23	177	0	0	0	0	0	114.9	T491 R497	T491-G493 PolarHBondContact O-N 2.81Å; G493-R497 PolarHBondContact O-N 3.3Å
494	M	89	Confident	88.5	Confident	23 Å²	23	32.8 Å²	32.8	11%	0.113	17%	0.171	C	C	.	.	H	α-helix	trans	-77.7	-39.7	173.1	-73.3	-56.8	-61.9	0	0	111	R476 M490 T491 D492 L496 R497 E498	R476-M494 HydrophobicContact CB-SD 4.38Å; M490-M494 HydrophobicContact CB-CB 4.41Å; T491-M494 WeakPolarHBondContact O-CA 3.47Å; T491-M494 WeakPolarHBondContact O-CB 3.07Å; T491-M494 PolarHBondContact O-N 2.86Å; T491-M494 VanDerWaalsContact OG1-CG 3.31Å; T491-M494 WeakPolarHBondContact OG1-CG 3.44Å; D492-M494 VanDerWaalsContact C-N 3.28Å; D492-M494 PolarHBondContact O-N 3.24Å; M494-L496 VanDerWaalsContact C-N 3.29Å; M494-L496 PolarHBondContact O-N 3.43Å; M494-R497 PolarHBondContact O-N 2.94Å; M494-E498 PolarHBondContact O-N 2.82Å
495	L	91.7	Very high	88.5	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.3	-43.7	171.5	-178.4	60.8	0	0	0	110.7	T445 M490 T491 D492 R497 E498 F499 M505 M511 L526	T445-L495 HydrophobicContact CG2-CB 3.95Å; T445-L495 HydrophobicContact CG2-CD2 3.47Å; T445-L495 VanDerWaalsContact CG2-CD2 3.47Å; T445-L495 HydrophobicContact CG2-CG 4.31Å; M490-L495 HydrophobicContact CG-CB 4.31Å; M490-L495 HydrophobicContact SD-CB 3.7Å; M490-L495 HydrophobicContact SD-CD1 3.91Å; M490-L495 HydrophobicContact SD-CG 4.33Å; T491-L495 PolarHBondContact O-N 2.97Å; D492-L495 PolarHBondContact O-N 3.47Å; L495-R497 PolarHBondContact O-N 2.96Å; L495-E498 WeakPolarHBondContact O-CB 3.32Å; L495-E498 PolarHBondContact O-N 2.9Å; L495-F499 HydrophobicContact CD1-CE2 4.22Å; L495-F499 HydrophobicContact CD2-CE2 4.22Å; L495-F499 HydrophobicContact CG-CD2 4.23Å; L495-F499 HydrophobicContact CG-CE2 3.81Å; L495-F499 VanDerWaalsContact O-CD2 3.22Å; L495-F499 WeakPolarHBondContact O-CD2 3.33Å; L495-F499 PolarHBondContact O-N 3.28Å; L495-F499 VanDerWaalsContact O-N 3.1Å; L495-M505 HydrophobicContact CD1-SD 4.17Å; L495-M511 HydrophobicContact CD1-CE 3.55Å; L495-M511 HydrophobicContact CD1-SD 4.26Å; L495-M511 HydrophobicContact CD2-CE 4Å; L495-M511 HydrophobicContact CD2-CG 4.15Å; L495-M511 HydrophobicContact CD2-SD 3.69Å; L495-M511 HydrophobicContact CG-CE 4.46Å; L495-L526 HydrophobicContact CB-CD1 4.49Å; L495-L526 HydrophobicContact CB-CD2 4.3Å; L495-L526 HydrophobicContact CD2-CD1 4.15Å; L495-L526 HydrophobicContact CD2-CD2 3.82Å; L495-L526 HydrophobicContact CG-CD2 3.9Å
496	L	88.8	Confident	88.3	Confident	1 Å²	1	33 Å²	33	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-60.5	-32.8	176.9	-167	58.9	0	0	0	113.1	D492 M494 F499 H522 I525 L526 L529 M761 L765	D492-L496 PolarHBondContact O-N 3.32Å; M494-L496 VanDerWaalsContact C-N 3.29Å; M494-L496 PolarHBondContact O-N 3.43Å; L496-F499 HydrophobicContact CD1-CD2 4.5Å; L496-F499 WeakPolarHBondContact O-CB 3.21Å; L496-H522 WeakPolarHBondContact CD2-ND1 3.28Å; L496-I525 HydrophobicContact CD1-CG2 3.76Å; L496-I525 HydrophobicContact CD2-CB 4.47Å; L496-I525 HydrophobicContact CD2-CG2 4.18Å; L496-L526 HydrophobicContact CB-CD2 4.27Å; L496-L526 HydrophobicContact CD1-CD2 4.19Å; L496-L529 HydrophobicContact CD1-CD1 3.4Å; L496-L529 VanDerWaalsContact CD1-CD1 3.4Å; L496-M761 HydrophobicContact CD2-CE 3.26Å; L496-M761 HydrophobicContact CD2-CG 4.45Å; L496-M761 HydrophobicContact CD2-SD 3.82Å; L496-M761 HydrophobicContact CG-CE 3.82Å; L496-M761 HydrophobicContact CG-CG 4.26Å; L496-M761 HydrophobicContact CG-SD 3.63Å; L496-L765 HydrophobicContact CD1-CD1 4.49Å
497	R	83.8	Confident	88.1	Confident	73 Å²	73	33.8 Å²	33.8	28%	0.275	18%	0.184	S	C	.	.	H	α-helix	trans	-72.2	-37.6	172.1	-175.5	173.4	-62.5	136	23.1	112.4	G493 M494 L495 F499 L500 P814	G493-R497 PolarHBondContact O-N 3.3Å; M494-R497 PolarHBondContact O-N 2.94Å; L495-R497 PolarHBondContact O-N 2.96Å; R497-F499 PolarHBondContact O-N 3.17Å; R497-L500 HydrophobicContact CG-CD1 4.49Å; R497-L500 VanDerWaalsContact O-CB 3.3Å; R497-L500 WeakPolarHBondContact O-CB 3.34Å; R497-L500 PolarHBondContact O-N 3.16Å; R497-P814 VanDerWaalsContact CZ-CB 3.5Å
498	E	86.9	Confident	87.9	Confident	43 Å²	43	34 Å²	34	20%	0.201	19%	0.185	C	C	.	.	H	α-helix	trans	-61	-33.8	175.9	-75	178.4	-151.2	0	0	111.6	K488 M494 L495 L500 S501 E502 Y508	K488-E498 WeakPolarHBondContact CE-OE1 3.26Å; K488-E498 IonicContact NZ-OE1 3.49Å; K488-E498 PolarHBondContact NZ-OE1 2.84Å; K488-E498 IonicContact NZ-OE2 2.87Å; M494-E498 PolarHBondContact O-N 2.82Å; L495-E498 WeakPolarHBondContact O-CB 3.32Å; L495-E498 PolarHBondContact O-N 2.9Å; E498-L500 PolarHBondContact O-N 3.07Å; E498-S501 PolarHBondContact O-N 3.34Å; E498-E502 PolarHBondContact O-N 3.35Å; E498-Y508 VanDerWaalsContact OE2-CE2 3.3Å; E498-Y508 WeakPolarHBondContact OE2-CE2 3.44Å; E498-Y508 PolarHBondContact OE2-OH 2.87Å
499	F	86.8	Confident	87.8	Confident	4 Å²	4	33.9 Å²	33.9	2%	0.018	19%	0.185	C	C	.	.	H	α-helix	trans	-57.9	-29	171.9	-82.1	-68	0	0	0	114.4	L495 L496 R497 S501 P503 M505 L526 L529 V530 I533 L765	L495-F499 HydrophobicContact CD1-CE2 4.22Å; L495-F499 HydrophobicContact CD2-CE2 4.22Å; L495-F499 HydrophobicContact CG-CD2 4.23Å; L495-F499 HydrophobicContact CG-CE2 3.81Å; L495-F499 VanDerWaalsContact O-CD2 3.22Å; L495-F499 WeakPolarHBondContact O-CD2 3.33Å; L495-F499 PolarHBondContact O-N 3.28Å; L495-F499 VanDerWaalsContact O-N 3.1Å; L496-F499 HydrophobicContact CD1-CD2 4.5Å; L496-F499 WeakPolarHBondContact O-CB 3.21Å; R497-F499 PolarHBondContact O-N 3.17Å; F499-S501 VanDerWaalsContact C-N 3.3Å; F499-S501 PolarHBondContact O-N 3.45Å; F499-P503 WeakPolarHBondContact O-CA 3.33Å; F499-M505 HydrophobicContact CD1-CG 4.1Å; F499-M505 HydrophobicContact CE1-CE 3.67Å; F499-M505 HydrophobicContact CE1-CG 3.38Å; F499-M505 HydrophobicContact CE1-SD 3.55Å; F499-M505 VanDerWaalsContact CE1-SD 3.55Å; F499-M505 HydrophobicContact CE2-CG 4.49Å; F499-M505 HydrophobicContact CE2-SD 3.92Å; F499-M505 HydrophobicContact CZ-CE 3.42Å; F499-M505 VanDerWaalsContact CZ-CE 3.42Å; F499-M505 HydrophobicContact CZ-CG 3.69Å; F499-M505 HydrophobicContact CZ-SD 3.17Å; F499-M505 WeakPolarHBondContact CZ-SD 3.42Å; F499-L526 HydrophobicContact CD2-CD2 3.86Å; F499-L526 HydrophobicContact CE2-CD2 3.44Å; F499-L526 VanDerWaalsContact CE2-CD2 3.44Å; F499-L529 HydrophobicContact CD2-CD1 4.37Å; F499-L529 HydrophobicContact CG-CD1 4.46Å; F499-V530 HydrophobicContact CE2-CG2 4.31Å; F499-V530 HydrophobicContact CZ-CG2 3.86Å; F499-I533 HydrophobicContact CD1-CD1 3.94Å; F499-I533 HydrophobicContact CE1-CD1 3.14Å; F499-I533 HydrophobicContact CZ-CD1 3.93Å; F499-L765 HydrophobicContact CB-CD2 3.82Å; F499-L765 WeakPolarHBondContact O-CD2 3.47Å
500	L	80.4	Confident	87.8	Confident	46 Å²	46	33.9 Å²	33.9	24%	0.241	19%	0.185	C	C	.	.	H	α-helix	trans	-68.6	-31.6	176.6	-62.4	174.4	0	0	0	112.1	R497 E498 M761 S764 L765	R497-L500 HydrophobicContact CG-CD1 4.49Å; R497-L500 VanDerWaalsContact O-CB 3.3Å; R497-L500 WeakPolarHBondContact O-CB 3.34Å; R497-L500 PolarHBondContact O-N 3.16Å; E498-L500 PolarHBondContact O-N 3.07Å; L500-M761 HydrophobicContact CD1-SD 4.32Å; L500-M761 HydrophobicContact CD2-CG 4.24Å; L500-S764 WeakPolarHBondContact CD2-OG 3.27Å; L500-L765 HydrophobicContact CD2-CD2 3.81Å; L500-L765 HydrophobicContact CD2-CG 3.98Å
501	S	78.4	Confident	87.9	Confident	73 Å²	73	33.9 Å²	33.9	51%	0.51	19%	0.185	S	C	.	.	H	α-helix	trans	-92.8	-41.6	179.9	-58.9	0	0	0	0	112	E498 F499	E498-S501 PolarHBondContact O-N 3.34Å; F499-S501 VanDerWaalsContact C-N 3.3Å; F499-S501 PolarHBondContact O-N 3.45Å
502	E	83.9	Confident	88	Confident	98 Å²	98	33.5 Å²	33.5	46%	0.458	18%	0.183	S	C	.	.			trans	-128.4	84.6	-178.3	-68.4	-173.7	-168.8	0	0	110.5	E498 D504 M505	E498-E502 PolarHBondContact O-N 3.35Å; E502-D504 PolarHBondContact O-N 3.11Å; E502-M505 PolarHBondContact O-N 3.45Å
503	P	82.6	Confident	88.1	Confident	72 Å²	72	33.4 Å²	33.4	47%	0.468	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-27.4	-179.1	23	-33.5	0	0	0	113.2	F499 I533	F499-P503 WeakPolarHBondContact O-CA 3.33Å; P503-I533 WeakPolarHBondContact O-CD1 3.47Å
504	D	83.9	Confident	88.3	Confident	63 Å²	63	32.5 Å²	32.5	34%	0.337	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-4.9	-178	-63.1	-12.2	0	0	0	114.2	E502 Q506 R537	E502-D504 PolarHBondContact O-N 3.11Å; D504-Q506 HydrophobicContact CB-CG 3.79Å; D504-Q506 PolarHBondContact O-N 3.16Å; D504-Q506 VanDerWaalsContact O-N 3.16Å; D504-Q506 PolarHBondContact OD2-NE2 2.9Å; D504-R537 PolarHBondContact O-NH1 2.88Å
505	M	87.4	Confident	88.3	Confident	4 Å²	4	31.9 Å²	31.9	2%	0.02	17%	0.169	C	C	.	.			trans	48.8	37.7	-174.6	-69.2	-170.7	-71.3	0	0	114.9	L495 F499 E502 A507 Y508 M511 V530 I533 R537 L540	L495-M505 HydrophobicContact CD1-SD 4.17Å; F499-M505 HydrophobicContact CD1-CG 4.1Å; F499-M505 HydrophobicContact CE1-CE 3.67Å; F499-M505 HydrophobicContact CE1-CG 3.38Å; F499-M505 HydrophobicContact CE1-SD 3.55Å; F499-M505 VanDerWaalsContact CE1-SD 3.55Å; F499-M505 HydrophobicContact CE2-CG 4.49Å; F499-M505 HydrophobicContact CE2-SD 3.92Å; F499-M505 HydrophobicContact CZ-CE 3.42Å; F499-M505 VanDerWaalsContact CZ-CE 3.42Å; F499-M505 HydrophobicContact CZ-CG 3.69Å; F499-M505 HydrophobicContact CZ-SD 3.17Å; F499-M505 WeakPolarHBondContact CZ-SD 3.42Å; E502-M505 PolarHBondContact O-N 3.45Å; M505-A507 PolarHBondContact O-N 3.27Å; M505-Y508 HydrophobicContact CB-CD2 4.22Å; M505-Y508 PolarHBondContact O-N 3.35Å; M505-M511 HydrophobicContact SD-CE 3.91Å; M505-V530 HydrophobicContact CE-CG1 4.45Å; M505-V530 HydrophobicContact CE-CG2 4.17Å; M505-I533 HydrophobicContact CE-CB 4.39Å; M505-I533 HydrophobicContact CE-CD1 4Å; M505-I533 HydrophobicContact CE-CG2 3.9Å; M505-R537 VanDerWaalsContact C-NH1 3.29Å; M505-R537 PolarHBondContact O-NH1 3.08Å; M505-L540 HydrophobicContact CE-CD2 3.65Å
506	Q	86.6	Confident	88.1	Confident	126 Å²	126	31.9 Å²	31.9	59%	0.589	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.7	-171.9	-66.2	-176.4	7.6	0	0	113.5	D504 Y508	D504-Q506 HydrophobicContact CB-CG 3.79Å; D504-Q506 PolarHBondContact O-N 3.16Å; D504-Q506 VanDerWaalsContact O-N 3.16Å; D504-Q506 PolarHBondContact OD2-NE2 2.9Å; Q506-Y508 PolarHBondContact O-N 3.45Å
507	A	88.4	Confident	88	Confident	33 Å²	33	32.4 Å²	32.4	27%	0.273	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.9	175.7	0	0	0	0	0	114.6	K440 K441 M505	K440-A507 CarbonylContact C-O 3.47Å; K440-A507 WeakPolarHBondContact CA-O 3.5Å; K441-A507 PolarHBondContact N-O 3.27Å; M505-A507 PolarHBondContact O-N 3.27Å
508	Y	92.5	Very high	87.9	Confident	5 Å²	5	31.2 Å²	31.2	2%	0.02	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	138.6	-173.7	-59	-78.4	0	0	0	112.4	K441 K488 M490 E498 M505 Q506 M511 R537	K441-Y508 HydrophobicContact CB-CD1 3.92Å; K441-Y508 HydrophobicContact CB-CE1 4.05Å; K441-Y508 WeakPolarHBondContact O-CA 3.33Å; K488-Y508 WeakPolarHBondContact CD-OH 3.28Å; K488-Y508 PolarHBondContact NZ-OH 2.9Å; M490-Y508 HydrophobicContact CE-CE1 3.84Å; M490-Y508 WeakPolarHBondContact CE-OH 3.44Å; E498-Y508 VanDerWaalsContact OE2-CE2 3.3Å; E498-Y508 WeakPolarHBondContact OE2-CE2 3.44Å; E498-Y508 PolarHBondContact OE2-OH 2.87Å; M505-Y508 HydrophobicContact CB-CD2 4.22Å; M505-Y508 PolarHBondContact O-N 3.35Å; Q506-Y508 PolarHBondContact O-N 3.45Å; Y508-M511 HydrophobicContact CD1-CE 3.97Å; Y508-M511 HydrophobicContact CD2-CE 3.76Å; Y508-M511 HydrophobicContact CE1-CE 4.35Å; Y508-M511 HydrophobicContact CE2-CE 4.15Å; Y508-M511 HydrophobicContact CG-CE 3.66Å; Y508-R537 VanDerWaalsContact O-CZ 3.31Å; Y508-R537 PolarHBondContact O-NH1 2.87Å; Y508-R537 VanDerWaalsContact O-NH1 3.1Å; Y508-R537 PolarHBondContact O-NH2 3.29Å
509	N	92.4	Very high	88	Confident	12 Å²	12	30.1 Å²	30.1	6%	0.064	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-33.5	169.1	-102.2	-7.4	0	0	0	112	Y435 K440 K441 K541	Y435-N509 WeakPolarHBondContact O-CB 3.32Å; Y435-N509 PolarHBondContact O-ND2 3.48Å; K440-N509 HydrophobicContact CB-CB 4.07Å; K440-N509 HydrophobicContact CD-CB 4.28Å; K440-N509 WeakPolarHBondContact CD-OD1 3.22Å; K440-N509 WeakPolarHBondContact CE-OD1 3.41Å; K440-N509 PolarHBondContact NZ-OD1 3.26Å; K441-N509 PolarHBondContact O-N 3.2Å; N509-K541 PolarHBondContact O-N 3.15Å
510	V	94.5	Very high	88.1	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	131.4	178.8	-169.7	0	0	0	0	109	L430 Y435 V442 G443 I512 K541 L543	L430-V510 HydrophobicContact CD1-CB 4.2Å; L430-V510 HydrophobicContact CD1-CG1 3.66Å; L430-V510 HydrophobicContact CD1-CG2 4.46Å; L430-V510 HydrophobicContact CD2-CG1 4.41Å; L430-V510 HydrophobicContact CD2-CG2 4.25Å; Y435-V510 HydrophobicContact CD1-CG2 3.64Å; Y435-V510 HydrophobicContact CE1-CG2 4.31Å; Y435-V510 HydrophobicContact CG-CG2 3.84Å; V442-V510 WeakPolarHBondContact CA-O 3.48Å; V442-V510 HydrophobicContact CG1-CB 4.47Å; V442-V510 HydrophobicContact CG2-CB 4.23Å; V442-V510 HydrophobicContact CG2-CG2 4.42Å; G443-V510 PolarHBondContact N-O 3.44Å; V510-I512 HydrophobicContact CG1-CG1 4.45Å; V510-K541 WeakPolarHBondContact CA-O 2.97Å; V510-K541 HydrophobicContact CB-CB 4.47Å; V510-K541 HydrophobicContact CG1-CB 4.09Å; V510-K541 HydrophobicContact CG2-CB 4.14Å; V510-L543 HydrophobicContact CG1-CD1 3.54Å
511	M	95	Very high	88.6	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.2	172.8	-169.8	57.8	66.8	0	0	109.9	T445 L495 M505 Y508 K541 L542 L543	T445-M511 HydrophobicContact CG2-SD 4.31Å; L495-M511 HydrophobicContact CD1-CE 3.55Å; L495-M511 HydrophobicContact CD1-SD 4.26Å; L495-M511 HydrophobicContact CD2-CE 4Å; L495-M511 HydrophobicContact CD2-CG 4.15Å; L495-M511 HydrophobicContact CD2-SD 3.69Å; L495-M511 HydrophobicContact CG-CE 4.46Å; M505-M511 HydrophobicContact SD-CE 3.91Å; Y508-M511 HydrophobicContact CD1-CE 3.97Å; Y508-M511 HydrophobicContact CD2-CE 3.76Å; Y508-M511 HydrophobicContact CE1-CE 4.35Å; Y508-M511 HydrophobicContact CE2-CE 4.15Å; Y508-M511 HydrophobicContact CG-CE 3.66Å; M511-K541 PolarHBondContact N-O 2.91Å; M511-L542 HydrophobicContact CB-CD1 4.3Å; M511-L542 WeakPolarHBondContact O-CA 3.38Å; M511-L543 PolarHBondContact O-N 3.23Å
512	I	95.3	Very high	89.2	Confident	6 Å²	6	28.9 Å²	28.9	3%	0.031	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	117.9	177.3	-55.9	166.5	0	0	0	108	I426 P427 L430 V442 G443 C444 T445 V510 D514 L543	I426-I512 HydrophobicContact CG2-CD1 4.02Å; P427-I512 HydrophobicContact CB-CD1 4.39Å; P427-I512 HydrophobicContact CG-CD1 3.76Å; L430-I512 HydrophobicContact CD1-CD1 3.83Å; L430-I512 HydrophobicContact CD1-CG1 4.4Å; V442-I512 HydrophobicContact CG1-CD1 4.1Å; G443-I512 PolarHBondContact O-N 2.93Å; C444-I512 WeakPolarHBondContact CA-O 3.4Å; C444-I512 HydrophobicContact CB-CB 4.28Å; T445-I512 PolarHBondContact N-O 2.77Å; T445-I512 PolarHBondContact OG1-O 2.85Å; T445-I512 VanDerWaalsContact OG1-O 3.12Å; V510-I512 HydrophobicContact CG1-CG1 4.45Å; I512-D514 HydrophobicContact CG2-CB 4.45Å; I512-L543 CarbonylContact C-O 3.56Å; I512-L543 WeakPolarHBondContact CA-O 3.33Å; I512-L543 HydrophobicContact CG1-CB 4.15Å; I512-L543 HydrophobicContact CG2-CB 4.4Å
513	I	94.3	Very high	89.6	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	100.5	169.4	-51.6	179.6	0	0	0	108.4	T445 T523 L526 F527 V530 L542 L543 I544 S545	T445-I513 VanDerWaalsContact OG1-CA 3.3Å; T445-I513 WeakPolarHBondContact OG1-CA 3.44Å; I513-T523 HydrophobicContact CG2-CG2 3.62Å; I513-L526 HydrophobicContact CD1-CB 4.37Å; I513-F527 HydrophobicContact CB-CE1 4.28Å; I513-F527 HydrophobicContact CD1-CD1 3.86Å; I513-F527 HydrophobicContact CD1-CE1 3.97Å; I513-F527 HydrophobicContact CG2-CE1 3.73Å; I513-F527 HydrophobicContact CG2-CZ 4.35Å; I513-V530 HydrophobicContact CD1-CG2 4.43Å; I513-L542 HydrophobicContact CD1-CD1 4.26Å; I513-L542 HydrophobicContact CG1-CD1 4.31Å; I513-L543 PolarHBondContact N-O 2.79Å; I513-I544 HydrophobicContact CB-CD1 3.8Å; I513-I544 HydrophobicContact CD1-CD1 3.78Å; I513-I544 HydrophobicContact CG1-CD1 3.99Å; I513-I544 CarbonylContact O-C 3.58Å; I513-S545 PolarHBondContact O-N 2.74Å
514	D	91.8	Very high	90	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	11%	0.106	C	C	.	.			trans	-96.5	159.2	-176	-163.9	15.1	0	0	0	111.9	T423 T445 Q446 I512 A516 S545	T423-D514 WeakPolarHBondContact CB-OD2 3.32Å; T423-D514 WeakPolarHBondContact CG2-OD2 3.25Å; T423-D514 PolarHBondContact OG1-OD2 2.76Å; T445-D514 WeakPolarHBondContact O-CB 3.36Å; T445-D514 PolarHBondContact O-N 3.44Å; Q446-D514 VanDerWaalsContact NE2-CB 3.33Å; Q446-D514 PolarHBondContact NE2-OD2 3.26Å; I512-D514 HydrophobicContact CG2-CB 4.45Å; D514-A516 PolarHBondContact O-N 2.76Å; D514-A516 VanDerWaalsContact O-N 3.15Å; D514-S545 WeakPolarHBondContact OD1-CB 3.33Å
515	E	88.3	Confident	90.3	Very high	9 Å²	9	17.9 Å²	17.9	4%	0.042	9%	0.091	C	C	.	.	S	Bend	trans	50.2	36.3	-176	-56.4	-79.1	130	0	0	112.7	P447 H517 E518 S545	P447-E515 HydrophobicContact CG-CB 3.91Å; E515-H517 PolarHBondContact O-N 3.35Å; E515-H517 IonicContact OE2-CE1 3.42Å; E515-H517 PolarHBondContact OE2-CE1 3.41Å; E515-H517 IonicContact OE2-NE2 2.7Å; E515-H517 PolarHBondContact OE2-NE2 3.23Å; E515-E518 PolarHBondContact O-N 3.48Å; E515-S545 PolarHBondContact N-O 2.79Å
516	A	89	Confident	90.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-53.7	-20.6	-178.2	0	0	0	0	0	114.6	D514 E518 R519 F527 I544 S545 F554	D514-A516 PolarHBondContact O-N 2.76Å; D514-A516 VanDerWaalsContact O-N 3.15Å; A516-E518 VanDerWaalsContact C-N 3.3Å; A516-E518 PolarHBondContact O-N 3.2Å; A516-R519 VanDerWaalsContact O-CD 3.3Å; A516-R519 WeakPolarHBondContact O-CD 3.31Å; A516-R519 PolarHBondContact O-N 3.07Å; A516-F527 HydrophobicContact CB-CE1 4.4Å; A516-F527 HydrophobicContact CB-CZ 3.77Å; A516-I544 HydrophobicContact CB-CG2 3.73Å; A516-S545 WeakPolarHBondContact CB-O 3.34Å; A516-S545 PolarHBondContact N-O 3.46Å; A516-F554 HydrophobicContact CB-CE1 4.29Å; A516-F554 HydrophobicContact CB-CZ 4.02Å
517	H	86	Confident	90.8	Very high	12 Å²	12	11.7 Å²	11.7	6%	0.056	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-74.2	-13.2	177	63.2	-91.3	0	0	0	114.3	E515 R519 A547 T548 Q716	E515-H517 PolarHBondContact O-N 3.35Å; E515-H517 IonicContact OE2-CE1 3.42Å; E515-H517 PolarHBondContact OE2-CE1 3.41Å; E515-H517 IonicContact OE2-NE2 2.7Å; E515-H517 PolarHBondContact OE2-NE2 3.23Å; H517-R519 PolarHBondContact O-N 3.36Å; H517-A547 PolarHBondContact ND1-N 3.41Å; H517-T548 HydrophobicContact CB-CG2 3.79Å; H517-T548 WeakPolarHBondContact CB-OG1 3.42Å; H517-Q716 PolarHBondContact CD2-NE2 3.07Å; H517-Q716 PolarHBondContact NE2-NE2 3.12Å
518	E	82.5	Confident	90.9	Very high	48 Å²	48	10.1 Å²	10.1	22%	0.224	5%	0.049	C	C	.	.	G	3₁₀ helix	trans	-67.3	-22.7	170.8	-73.8	-164	-156.4	0	0	111.7	P447 R448 E515 A516 T520 T674 S675	P447-E518 HydrophobicContact CB-CB 4.48Å; P447-E518 HydrophobicContact CG-CB 4.3Å; P447-E518 VanDerWaalsContact CG-CD 3.44Å; P447-E518 HydrophobicContact CG-CG 4.16Å; R448-E518 IonicContact CZ-OE1 3.93Å; R448-E518 IonicContact NE-OE1 3.29Å; R448-E518 PolarHBondContact NE-OE1 2.81Å; R448-E518 IonicContact NE-OE2 3.1Å; R448-E518 PolarHBondContact NE-OE2 3.22Å; E515-E518 PolarHBondContact O-N 3.48Å; A516-E518 VanDerWaalsContact C-N 3.3Å; A516-E518 PolarHBondContact O-N 3.2Å; E518-T520 VanDerWaalsContact C-N 3.29Å; E518-T520 HydrophobicContact CB-CG2 4.06Å; E518-T520 PolarHBondContact O-N 2.86Å; E518-T674 HydrophobicContact CG-CG2 4.15Å; E518-T674 WeakPolarHBondContact OE1-CB 3.44Å; E518-T674 PolarHBondContact OE1-OG1 2.55Å; E518-S675 PolarHBondContact OE1-OG 3.47Å
519	R	88.7	Confident	90.8	Very high	21 Å²	21	10.6 Å²	10.6	8%	0.079	5%	0.051	C	C	.	.			trans	49.3	49.5	176.1	-61.5	-63.1	-55.3	-73.6	-7.6	112.2	A516 H517 D524 P748 E749 L776 D777	A516-R519 VanDerWaalsContact O-CD 3.3Å; A516-R519 WeakPolarHBondContact O-CD 3.31Å; A516-R519 PolarHBondContact O-N 3.07Å; H517-R519 PolarHBondContact O-N 3.36Å; R519-D524 IonicContact CZ-OD1 3.06Å; R519-D524 IonicContact CZ-OD2 3.2Å; R519-D524 IonicContact NE-OD1 3.89Å; R519-D524 PolarHBondContact NE-OD1 3.42Å; R519-D524 IonicContact NE-OD2 2.76Å; R519-D524 IonicContact NH2-OD1 2.87Å; R519-D524 PolarHBondContact NH2-OD1 3.28Å; R519-D524 IonicContact NH2-OD2 3.34Å; R519-D524 PolarHBondContact NH2-OD2 3.21Å; R519-P748 HydrophobicContact CB-CB 4.11Å; R519-E749 PolarHBondContact O-N 2.83Å; R519-L776 VanDerWaalsContact CZ-CD2 3.4Å; R519-D777 IonicContact CZ-OD2 3.62Å; R519-D777 VanDerWaalsContact CZ-OD2 3.24Å; R519-D777 IonicContact NH1-OD2 3.44Å; R519-D777 PolarHBondContact NH1-OD2 2.96Å; R519-D777 IonicContact NH2-OD2 3.41Å; R519-D777 PolarHBondContact NH2-OD2 3.24Å
520	T	89	Confident	90.8	Very high	18 Å²	18	10 Å²	10	11%	0.11	5%	0.048	C	C	.	.			trans	-70.4	157.7	176.7	82.8	0	0	0	0	110.4	P447 E518 H522 T523 D524 E749	P447-T520 HydrophobicContact CB-CG2 3.62Å; E518-T520 VanDerWaalsContact C-N 3.29Å; E518-T520 HydrophobicContact CB-CG2 4.06Å; E518-T520 PolarHBondContact O-N 2.86Å; T520-H522 PolarHBondContact O-N 3.13Å; T520-T523 PolarHBondContact O-N 3.08Å; T520-T523 VanDerWaalsContact O-N 3.16Å; T520-T523 PolarHBondContact OG1-N 3.44Å; T520-T523 PolarHBondContact OG1-OG1 2.94Å; T520-D524 PolarHBondContact O-N 3.4Å; T520-E749 WeakPolarHBondContact CA-OE2 3.42Å; T520-E749 WeakPolarHBondContact CB-OE2 3.13Å
521	L	90.1	Very high	90.6	Very high	19 Å²	19	10.9 Å²	10.9	10%	0.099	5%	0.052	C	C	.	.	H	α-helix	trans	-54.4	-44.1	178.6	-179.3	65.5	0	0	0	111.5	I525 E749 I750 L755 V758	L521-I525 WeakPolarHBondContact O-CG1 3.36Å; L521-I525 PolarHBondContact O-N 3.38Å; L521-E749 HydrophobicContact CB-CB 4.46Å; L521-E749 HydrophobicContact CB-CG 4.16Å; L521-E749 PolarHBondContact N-OE2 3.34Å; L521-I750 HydrophobicContact CD1-CB 3.89Å; L521-I750 HydrophobicContact CD1-CD1 4.46Å; L521-I750 HydrophobicContact CD1-CG1 3.77Å; L521-L755 HydrophobicContact CD1-CD2 3.97Å; L521-V758 HydrophobicContact CD1-CG2 3.92Å; L521-V758 HydrophobicContact CD2-CG2 3.44Å; L521-V758 VanDerWaalsContact CD2-CG2 3.44Å; L521-V758 HydrophobicContact CG-CG2 3.62Å
522	H	91.1	Very high	90.3	Very high	59 Å²	59	14.2 Å²	14.2	27%	0.273	7%	0.07	S	C	.	.	H	α-helix	trans	-69.4	-40.4	179.6	-63.9	-54.3	0	0	0	112.3	D492 L496 T520 D524 I525 L526	D492-H522 HydrophobicContact CB-CB 3.74Å; L496-H522 WeakPolarHBondContact CD2-ND1 3.28Å; T520-H522 PolarHBondContact O-N 3.13Å; H522-D524 VanDerWaalsContact C-N 3.34Å; H522-D524 PolarHBondContact O-N 3.49Å; H522-I525 PolarHBondContact O-N 3.1Å; H522-L526 WeakPolarHBondContact O-CB 3.44Å; H522-L526 WeakPolarHBondContact O-CG 3.44Å; H522-L526 PolarHBondContact O-N 3.23Å
523	T	91.7	Very high	90	Very high	1 Å²	1	15 Å²	15	1%	0.006	7%	0.074	C	C	.	.	H	α-helix	trans	-60.5	-44	178.4	-35.9	0	0	0	0	111.5	D492 I513 T520 I525 L526 F527	D492-T523 PolarHBondContact OD2-OG1 2.8Å; I513-T523 HydrophobicContact CG2-CG2 3.62Å; T520-T523 PolarHBondContact O-N 3.08Å; T520-T523 VanDerWaalsContact O-N 3.16Å; T520-T523 PolarHBondContact OG1-N 3.44Å; T520-T523 PolarHBondContact OG1-OG1 2.94Å; T523-I525 VanDerWaalsContact C-N 3.34Å; T523-I525 PolarHBondContact O-N 3.31Å; T523-L526 WeakPolarHBondContact O-CB 3.27Å; T523-L526 PolarHBondContact O-N 2.83Å; T523-F527 HydrophobicContact CG2-CE1 3.83Å; T523-F527 HydrophobicContact CG2-CE2 3.89Å; T523-F527 HydrophobicContact CG2-CZ 3.41Å; T523-F527 VanDerWaalsContact CG2-CZ 3.41Å; T523-F527 WeakPolarHBondContact O-CD2 3.4Å; T523-F527 WeakPolarHBondContact O-CG 3.37Å; T523-F527 PolarHBondContact O-N 3.08Å
524	D	91.1	Very high	89.8	Confident	1 Å²	1	15.1 Å²	15.1	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-65.2	-37.6	-179.2	-84.1	11.3	0	0	0	112.2	R519 T520 H522 F527	R519-D524 IonicContact CZ-OD1 3.06Å; R519-D524 IonicContact CZ-OD2 3.2Å; R519-D524 IonicContact NE-OD1 3.89Å; R519-D524 PolarHBondContact NE-OD1 3.42Å; R519-D524 IonicContact NE-OD2 2.76Å; R519-D524 IonicContact NH2-OD1 2.87Å; R519-D524 PolarHBondContact NH2-OD1 3.28Å; R519-D524 IonicContact NH2-OD2 3.34Å; R519-D524 PolarHBondContact NH2-OD2 3.21Å; T520-D524 PolarHBondContact O-N 3.4Å; H522-D524 VanDerWaalsContact C-N 3.34Å; H522-D524 PolarHBondContact O-N 3.49Å; D524-F527 PolarHBondContact O-N 2.92Å
525	I	91.3	Very high	89.6	Confident	1 Å²	1	21.4 Å²	21.4	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-67.1	-42.6	172.8	-62.2	-55.3	0	0	0	111.4	L496 L521 H522 T523 F527 G528 L529 I750 V758 L762 F773 F775	L496-I525 HydrophobicContact CD1-CG2 3.76Å; L496-I525 HydrophobicContact CD2-CB 4.47Å; L496-I525 HydrophobicContact CD2-CG2 4.18Å; L521-I525 WeakPolarHBondContact O-CG1 3.36Å; L521-I525 PolarHBondContact O-N 3.38Å; H522-I525 PolarHBondContact O-N 3.1Å; T523-I525 VanDerWaalsContact C-N 3.34Å; T523-I525 PolarHBondContact O-N 3.31Å; I525-F527 VanDerWaalsContact C-N 3.26Å; I525-F527 PolarHBondContact O-N 3.11Å; I525-G528 PolarHBondContact O-N 3.38Å; I525-L529 HydrophobicContact CG2-CD1 3.86Å; I525-L529 HydrophobicContact CG2-CG 4.27Å; I525-L529 WeakPolarHBondContact O-CG 3.48Å; I525-L529 PolarHBondContact O-N 3.21Å; I525-L529 VanDerWaalsContact O-N 3.11Å; I525-I750 HydrophobicContact CD1-CD1 4.23Å; I525-V758 HydrophobicContact CD1-CG1 3.55Å; I525-V758 HydrophobicContact CG1-CG1 3.71Å; I525-L762 HydrophobicContact CD1-CD1 4.12Å; I525-L762 HydrophobicContact CD1-CD2 4.41Å; I525-L762 HydrophobicContact CG2-CD2 3.83Å; I525-F773 HydrophobicContact CD1-CE1 4.47Å; I525-F775 HydrophobicContact CD1-CD1 4.28Å; I525-F775 HydrophobicContact CD1-CE1 3.57Å
526	L	92	Very high	89.6	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.5	-36.1	177.1	-72.2	171	0	0	0	111.9	D492 L495 L496 F499 I513 H522 T523 G528 L529 V530	D492-L526 HydrophobicContact CB-CD1 3.77Å; L495-L526 HydrophobicContact CB-CD1 4.49Å; L495-L526 HydrophobicContact CB-CD2 4.3Å; L495-L526 HydrophobicContact CD2-CD1 4.15Å; L495-L526 HydrophobicContact CD2-CD2 3.82Å; L495-L526 HydrophobicContact CG-CD2 3.9Å; L496-L526 HydrophobicContact CB-CD2 4.27Å; L496-L526 HydrophobicContact CD1-CD2 4.19Å; F499-L526 HydrophobicContact CD2-CD2 3.86Å; F499-L526 HydrophobicContact CE2-CD2 3.44Å; F499-L526 VanDerWaalsContact CE2-CD2 3.44Å; I513-L526 HydrophobicContact CD1-CB 4.37Å; H522-L526 WeakPolarHBondContact O-CB 3.44Å; H522-L526 WeakPolarHBondContact O-CG 3.44Å; H522-L526 PolarHBondContact O-N 3.23Å; T523-L526 WeakPolarHBondContact O-CB 3.27Å; T523-L526 PolarHBondContact O-N 2.83Å; L526-G528 PolarHBondContact O-N 3.17Å; L526-L529 PolarHBondContact O-N 3.36Å; L526-V530 VanDerWaalsContact O-CB 3.23Å; L526-V530 WeakPolarHBondContact O-CB 3.34Å; L526-V530 WeakPolarHBondContact O-CG2 3.37Å; L526-V530 PolarHBondContact O-N 3.21Å
527	F	92.4	Very high	89.6	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.9	-46.2	176.7	-65.7	-32.4	0	0	0	112.6	I513 A516 T523 D524 I525 K531 I544 F554 F557 F558 L776	I513-F527 HydrophobicContact CB-CE1 4.28Å; I513-F527 HydrophobicContact CD1-CD1 3.86Å; I513-F527 HydrophobicContact CD1-CE1 3.97Å; I513-F527 HydrophobicContact CG2-CE1 3.73Å; I513-F527 HydrophobicContact CG2-CZ 4.35Å; A516-F527 HydrophobicContact CB-CE1 4.4Å; A516-F527 HydrophobicContact CB-CZ 3.77Å; T523-F527 HydrophobicContact CG2-CE1 3.83Å; T523-F527 HydrophobicContact CG2-CE2 3.89Å; T523-F527 HydrophobicContact CG2-CZ 3.41Å; T523-F527 VanDerWaalsContact CG2-CZ 3.41Å; T523-F527 WeakPolarHBondContact O-CD2 3.4Å; T523-F527 WeakPolarHBondContact O-CG 3.37Å; T523-F527 PolarHBondContact O-N 3.08Å; D524-F527 PolarHBondContact O-N 2.92Å; I525-F527 VanDerWaalsContact C-N 3.26Å; I525-F527 PolarHBondContact O-N 3.11Å; F527-K531 WeakPolarHBondContact O-CB 3.42Å; F527-K531 PolarHBondContact O-N 2.8Å; F527-I544 HydrophobicContact CD1-CD1 4.28Å; F527-I544 HydrophobicContact CE1-CD1 4.03Å; F527-I544 HydrophobicContact CE1-CG2 4.24Å; F527-F554 HydrophobicContact CE2-CD1 4.44Å; F527-F554 AromaticContact CE2-CE1 3.77Å; F527-F554 HydrophobicContact CE2-CE1 3.77Å; F527-F554 HydrophobicContact CZ-CD1 4.46Å; F527-F554 AromaticContact CZ-CE1 3.89Å; F527-F554 HydrophobicContact CZ-CE1 3.89Å; F527-F557 HydrophobicContact CB-CE1 3.77Å; F527-F557 HydrophobicContact CB-CZ 4.28Å; F527-F558 HydrophobicContact CB-CZ 3.96Å; F527-F558 HydrophobicContact CD1-CE2 4.1Å; F527-F558 AromaticContact CD1-CZ 3.68Å; F527-F558 HydrophobicContact CD1-CZ 3.68Å; F527-F558 HydrophobicContact CE1-CZ 4.48Å; F527-F558 HydrophobicContact CG-CE2 4.43Å; F527-F558 HydrophobicContact CG-CZ 4.04Å; F527-L776 HydrophobicContact CD2-CD2 4.19Å; F527-L776 HydrophobicContact CE2-CD2 4.26Å
528	G	90.4	Very high	89.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63	-48.5	176.5	0	0	0	0	0	112	I525 L526 K531 D532	I525-G528 PolarHBondContact O-N 3.38Å; L526-G528 PolarHBondContact O-N 3.17Å; G528-K531 PolarHBondContact O-N 2.86Å; G528-D532 PolarHBondContact O-N 3.13Å
529	L	90.5	Very high	90	Very high	15 Å²	15	35.8 Å²	35.8	8%	0.079	17%	0.173	C	C	.	.	H	α-helix	trans	-63.4	-46.5	-179.1	-65.6	176	0	0	0	113	L496 F499 I525 L526 K531 D532 I533 L765 I767 F773	L496-L529 HydrophobicContact CD1-CD1 3.4Å; L496-L529 VanDerWaalsContact CD1-CD1 3.4Å; F499-L529 HydrophobicContact CD2-CD1 4.37Å; F499-L529 HydrophobicContact CG-CD1 4.46Å; I525-L529 HydrophobicContact CG2-CD1 3.86Å; I525-L529 HydrophobicContact CG2-CG 4.27Å; I525-L529 WeakPolarHBondContact O-CG 3.48Å; I525-L529 PolarHBondContact O-N 3.21Å; I525-L529 VanDerWaalsContact O-N 3.11Å; L526-L529 PolarHBondContact O-N 3.36Å; L529-K531 VanDerWaalsContact C-N 3.31Å; L529-K531 PolarHBondContact O-N 3.11Å; L529-D532 PolarHBondContact O-N 3.06Å; L529-I533 WeakPolarHBondContact O-CD1 2.99Å; L529-I533 VanDerWaalsContact O-CG1 3.32Å; L529-I533 WeakPolarHBondContact O-CG1 3.38Å; L529-I533 PolarHBondContact O-N 2.92Å; L529-L765 HydrophobicContact CD1-CD1 3.6Å; L529-L765 HydrophobicContact CD2-CD1 3.89Å; L529-L765 HydrophobicContact CG-CD1 4.42Å; L529-I767 HydrophobicContact CD2-CD1 3.51Å; L529-F773 HydrophobicContact CD2-CE2 4.29Å; L529-F773 HydrophobicContact CD2-CZ 4.36Å; L529-F773 HydrophobicContact CG-CZ 4.39Å
530	V	91.4	Very high	90.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-72	-30.1	-176.4	-179.4	0	0	0	0	110.9	F499 M505 I513 L526 I533 A534 L542	F499-V530 HydrophobicContact CE2-CG2 4.31Å; F499-V530 HydrophobicContact CZ-CG2 3.86Å; M505-V530 HydrophobicContact CE-CG1 4.45Å; M505-V530 HydrophobicContact CE-CG2 4.17Å; I513-V530 HydrophobicContact CD1-CG2 4.43Å; L526-V530 VanDerWaalsContact O-CB 3.23Å; L526-V530 WeakPolarHBondContact O-CB 3.34Å; L526-V530 WeakPolarHBondContact O-CG2 3.37Å; L526-V530 PolarHBondContact O-N 3.21Å; V530-I533 PolarHBondContact O-N 3.41Å; V530-A534 VanDerWaalsContact O-CB 3.3Å; V530-A534 WeakPolarHBondContact O-CB 3.28Å; V530-A534 PolarHBondContact O-N 3.48Å; V530-L542 HydrophobicContact CB-CD2 4.5Å; V530-L542 HydrophobicContact CG1-CD1 3.54Å; V530-L542 HydrophobicContact CG1-CD2 3.57Å; V530-L542 HydrophobicContact CG1-CG 4.06Å
531	K	90.4	Very high	90.4	Very high	17 Å²	17	35.5 Å²	35.5	7%	0.074	17%	0.171	C	C	.	.	H	α-helix	trans	-61.7	-46.9	172	-176.1	-177.8	178.4	-169.1	0	111.3	F527 G528 L529 I533 A534 R535 F557 F558 D774	F527-K531 WeakPolarHBondContact O-CB 3.42Å; F527-K531 PolarHBondContact O-N 2.8Å; G528-K531 PolarHBondContact O-N 2.86Å; L529-K531 VanDerWaalsContact C-N 3.31Å; L529-K531 PolarHBondContact O-N 3.11Å; K531-I533 VanDerWaalsContact C-N 3.31Å; K531-I533 PolarHBondContact O-N 2.81Å; K531-A534 PolarHBondContact O-N 3.34Å; K531-R535 VanDerWaalsContact CE-NH2 3.31Å; K531-R535 WeakPolarHBondContact O-CG 3.47Å; K531-R535 PolarHBondContact O-N 2.84Å; K531-F557 HydrophobicContact CB-CE1 4.5Å; K531-F557 HydrophobicContact CD-CD1 4.42Å; K531-F557 HydrophobicContact CD-CE1 3.87Å; K531-F557 HydrophobicContact CD-CZ 4.01Å; K531-F557 WeakPolarHBondContact CE-O 3.42Å; K531-F557 PolarHBondContact NZ-O 3.19Å; K531-F557 VanDerWaalsContact NZ-O 3.08Å; K531-F558 HydrophobicContact CB-CD1 4.35Å; K531-F558 HydrophobicContact CB-CE1 4.1Å; K531-F558 HydrophobicContact CG-CD1 4.44Å; K531-D774 IonicContact NZ-OD2 2.89Å; K531-D774 PolarHBondContact NZ-OD2 2.84Å
532	D	88.8	Confident	90.6	Very high	71 Å²	71	34.7 Å²	34.7	38%	0.38	17%	0.167	S	C	.	.	H	α-helix	trans	-63.6	-38.4	177	-73.2	-20.3	0	0	0	112.1	G528 L529 R535 F536	G528-D532 PolarHBondContact O-N 3.13Å; L529-D532 PolarHBondContact O-N 3.06Å; D532-R535 WeakPolarHBondContact O-CB 3.29Å; D532-R535 PolarHBondContact O-N 3Å; D532-F536 PolarHBondContact O-N 2.85Å
533	I	89.9	Confident	90.7	Very high	21 Å²	21	32 Å²	32	11%	0.108	15%	0.154	C	C	.	.	H	α-helix	trans	-73	-36.8	178.6	-67.5	166.5	0	0	0	111.8	F499 P503 M505 L529 V530 K531 R535 F536 R537 L540	F499-I533 HydrophobicContact CD1-CD1 3.94Å; F499-I533 HydrophobicContact CE1-CD1 3.14Å; F499-I533 HydrophobicContact CZ-CD1 3.93Å; P503-I533 WeakPolarHBondContact O-CD1 3.47Å; M505-I533 HydrophobicContact CE-CB 4.39Å; M505-I533 HydrophobicContact CE-CD1 4Å; M505-I533 HydrophobicContact CE-CG2 3.9Å; L529-I533 WeakPolarHBondContact O-CD1 2.99Å; L529-I533 VanDerWaalsContact O-CG1 3.32Å; L529-I533 WeakPolarHBondContact O-CG1 3.38Å; L529-I533 PolarHBondContact O-N 2.92Å; V530-I533 PolarHBondContact O-N 3.41Å; K531-I533 VanDerWaalsContact C-N 3.31Å; K531-I533 PolarHBondContact O-N 2.81Å; I533-R535 PolarHBondContact O-N 3.32Å; I533-F536 PolarHBondContact O-N 2.94Å; I533-F536 VanDerWaalsContact O-N 3.1Å; I533-R537 HydrophobicContact CG2-CB 4.23Å; I533-R537 WeakPolarHBondContact O-CA 3.44Å; I533-R537 VanDerWaalsContact O-CB 3.28Å; I533-R537 WeakPolarHBondContact O-CB 3.44Å; I533-R537 PolarHBondContact O-N 3.35Å; I533-L540 HydrophobicContact CG2-CD2 3.89Å
534	A	89.7	Confident	90.8	Very high	4 Å²	4	32 Å²	32	3%	0.033	15%	0.154	C	C	.	.	H	α-helix	trans	-60.1	-34.6	174.1	0	0	0	0	0	111.1	Q410 I411 V530 K531	Q410-A534 PolarHBondContact NE2-O 3.3Å; I411-A534 HydrophobicContact CD1-CB 4.06Å; I411-A534 HydrophobicContact CG1-CB 4.49Å; V530-A534 VanDerWaalsContact O-CB 3.3Å; V530-A534 WeakPolarHBondContact O-CB 3.28Å; V530-A534 PolarHBondContact O-N 3.48Å; K531-A534 PolarHBondContact O-N 3.34Å
535	R	88.2	Confident	90.8	Very high	132 Å²	132	32 Å²	32	50%	0.498	16%	0.155	S	C	.	.	H	α-helix	trans	-67	-38.6	173.6	-68.4	171.6	173	177.4	-4.6	112.6	K531 D532 I533 D559	K531-R535 VanDerWaalsContact CE-NH2 3.31Å; K531-R535 WeakPolarHBondContact O-CG 3.47Å; K531-R535 PolarHBondContact O-N 2.84Å; D532-R535 WeakPolarHBondContact O-CB 3.29Å; D532-R535 PolarHBondContact O-N 3Å; I533-R535 PolarHBondContact O-N 3.32Å; R535-D559 IonicContact CZ-OD2 2.78Å; R535-D559 IonicContact NE-OD2 2.97Å; R535-D559 IonicContact NH2-OD1 2.71Å; R535-D559 PolarHBondContact NH2-OD1 2.88Å; R535-D559 IonicContact NH2-OD2 3.55Å; R535-D559 PolarHBondContact NH2-OD2 3.47Å
536	F	87.9	Confident	90.5	Very high	161 Å²	161	32 Å²	32	71%	0.706	15%	0.154	S	C	*	.	H	α-helix	trans	-77.2	-37.5	178.3	-176.1	-107.4	0	0	0	112.9	D532 I533	D532-F536 PolarHBondContact O-N 2.85Å; I533-F536 PolarHBondContact O-N 2.94Å; I533-F536 VanDerWaalsContact O-N 3.1Å
537	R	89.2	Confident	89.9	Confident	21 Å²	21	32.8 Å²	32.8	8%	0.079	16%	0.161	C	C	.	.			trans	-119.3	89.4	-166.7	-170.2	174.9	168.8	-154	-13.9	111.2	Q410 K440 D504 M505 Y508 I533 D539 L540	Q410-R537 PolarHBondContact NE2-O 2.89Å; K440-R537 VanDerWaalsContact NZ-NH2 3.14Å; D504-R537 PolarHBondContact O-NH1 2.88Å; M505-R537 VanDerWaalsContact C-NH1 3.29Å; M505-R537 PolarHBondContact O-NH1 3.08Å; Y508-R537 VanDerWaalsContact O-CZ 3.31Å; Y508-R537 PolarHBondContact O-NH1 2.87Å; Y508-R537 VanDerWaalsContact O-NH1 3.1Å; Y508-R537 PolarHBondContact O-NH2 3.29Å; I533-R537 HydrophobicContact CG2-CB 4.23Å; I533-R537 WeakPolarHBondContact O-CA 3.44Å; I533-R537 VanDerWaalsContact O-CB 3.28Å; I533-R537 WeakPolarHBondContact O-CB 3.44Å; I533-R537 PolarHBondContact O-N 3.35Å; R537-D539 VanDerWaalsContact C-N 3.26Å; R537-D539 WeakPolarHBondContact CD-OD1 3.45Å; R537-D539 WeakPolarHBondContact CG-OD1 3.38Å; R537-D539 IonicContact CZ-OD1 2.66Å; R537-D539 IonicContact CZ-OD2 3.28Å; R537-D539 VanDerWaalsContact NE-CG 3.31Å; R537-D539 IonicContact NE-OD1 3.46Å; R537-D539 PolarHBondContact NE-OD1 3.08Å; R537-D539 IonicContact NE-OD2 2.77Å; R537-D539 PolarHBondContact NE-OD2 3.46Å; R537-D539 IonicContact NH2-OD2 3.46Å; R537-D539 PolarHBondContact NH2-OD2 3.32Å; R537-D539 PolarHBondContact O-N 3.23Å; R537-L540 HydrophobicContact CB-CB 4.39Å; R537-L540 HydrophobicContact CG-CB 4.03Å; R537-L540 PolarHBondContact O-N 2.92Å
538	T	86.5	Confident	88.8	Confident	114 Å²	114	33.5 Å²	33.5	70%	0.699	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-17.6	-177.3	56.1	0	0	0	0	114.4
539	D	89.6	Confident	87.3	Confident	76 Å²	76	40.2 Å²	40.2	41%	0.406	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-17.4	174.7	69.3	-58	0	0	0	113.3	K440 R537	K440-D539 IonicContact NZ-OD2 3.16Å; K440-D539 PolarHBondContact NZ-OD2 3.3Å; R537-D539 VanDerWaalsContact C-N 3.26Å; R537-D539 WeakPolarHBondContact CD-OD1 3.45Å; R537-D539 WeakPolarHBondContact CG-OD1 3.38Å; R537-D539 IonicContact CZ-OD1 2.66Å; R537-D539 IonicContact CZ-OD2 3.28Å; R537-D539 VanDerWaalsContact NE-CG 3.31Å; R537-D539 IonicContact NE-OD1 3.46Å; R537-D539 PolarHBondContact NE-OD1 3.08Å; R537-D539 IonicContact NE-OD2 2.77Å; R537-D539 PolarHBondContact NE-OD2 3.46Å; R537-D539 IonicContact NH2-OD2 3.46Å; R537-D539 PolarHBondContact NH2-OD2 3.32Å; R537-D539 PolarHBondContact O-N 3.23Å
540	L	91.7	Very high	86.4	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	21%	0.208	C	C	.	.			trans	-78.6	125.4	178.7	-178.2	69.9	0	0	0	110.5	Q410 M505 I533 R537	Q410-L540 WeakPolarHBondContact CG-O 3.16Å; Q410-L540 PolarHBondContact NE2-O 2.96Å; M505-L540 HydrophobicContact CE-CD2 3.65Å; I533-L540 HydrophobicContact CG2-CD2 3.89Å; R537-L540 HydrophobicContact CB-CB 4.39Å; R537-L540 HydrophobicContact CG-CB 4.03Å; R537-L540 PolarHBondContact O-N 2.92Å
541	K	93.7	Very high	85.8	Confident	32 Å²	32	41.6 Å²	41.6	14%	0.139	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	134.7	171.1	-60.7	-65.9	-168.6	163.8	0	110.7	I406 S407 H409 Q410 Y435 N509 V510 M511	I406-K541 HydrophobicContact CG2-CG 4.47Å; I406-K541 WeakPolarHBondContact O-CE 3.27Å; I406-K541 PolarHBondContact O-NZ 3.41Å; S407-K541 PolarHBondContact O-NZ 3.24Å; H409-K541 PolarHBondContact O-NZ 3.47Å; Q410-K541 WeakPolarHBondContact O-CA 3.28Å; Y435-K541 HydrophobicContact CE1-CG 4.22Å; N509-K541 PolarHBondContact O-N 3.15Å; V510-K541 WeakPolarHBondContact CA-O 2.97Å; V510-K541 HydrophobicContact CB-CB 4.47Å; V510-K541 HydrophobicContact CG1-CB 4.09Å; V510-K541 HydrophobicContact CG2-CB 4.14Å; M511-K541 PolarHBondContact N-O 2.91Å
542	L	94.5	Very high	85.5	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	126.2	-180	-179.7	60.3	0	0	0	111	Q410 I411 I412 M511 I513 V530 I544 F558	Q410-L542 PolarHBondContact O-N 3.2Å; I411-L542 WeakPolarHBondContact CA-O 3.44Å; I411-L542 HydrophobicContact CD1-CD2 4.29Å; I411-L542 HydrophobicContact CG1-CB 4.16Å; I411-L542 HydrophobicContact CG1-CD2 4.29Å; I411-L542 HydrophobicContact CG2-CB 4.29Å; I411-L542 HydrophobicContact CG2-CD2 3.96Å; I411-L542 HydrophobicContact CG2-CG 4.24Å; I412-L542 PolarHBondContact N-O 3.27Å; M511-L542 HydrophobicContact CB-CD1 4.3Å; M511-L542 WeakPolarHBondContact O-CA 3.38Å; I513-L542 HydrophobicContact CD1-CD1 4.26Å; I513-L542 HydrophobicContact CG1-CD1 4.31Å; V530-L542 HydrophobicContact CB-CD2 4.5Å; V530-L542 HydrophobicContact CG1-CD1 3.54Å; V530-L542 HydrophobicContact CG1-CD2 3.57Å; V530-L542 HydrophobicContact CG1-CG 4.06Å; L542-I544 HydrophobicContact CD1-CD1 3.84Å; L542-I544 HydrophobicContact CD2-CD1 4.02Å; L542-I544 HydrophobicContact CD2-CG1 4.47Å; L542-I544 HydrophobicContact CG-CD1 3.85Å; L542-I544 HydrophobicContact CG-CG1 4.33Å; L542-F558 HydrophobicContact CD2-CD1 4.18Å; L542-F558 HydrophobicContact CD2-CE1 3.78Å; L542-F558 HydrophobicContact CD2-CZ 4.33Å
543	L	94.5	Very high	85.5	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.016	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124.5	173	-72.8	76.2	0	0	0	109.7	I406 I412 V414 I426 V510 M511 I512 I513	I406-L543 HydrophobicContact CD1-CD2 3.77Å; I406-L543 HydrophobicContact CG1-CD1 4.39Å; I406-L543 HydrophobicContact CG1-CD2 4.13Å; I406-L543 HydrophobicContact CG1-CG 4.47Å; I412-L543 WeakPolarHBondContact O-CA 3.43Å; V414-L543 HydrophobicContact CG2-CD2 4.43Å; I426-L543 HydrophobicContact CG2-CD2 3.64Å; V510-L543 HydrophobicContact CG1-CD1 3.54Å; M511-L543 PolarHBondContact O-N 3.23Å; I512-L543 CarbonylContact C-O 3.56Å; I512-L543 WeakPolarHBondContact CA-O 3.33Å; I512-L543 HydrophobicContact CG1-CB 4.15Å; I512-L543 HydrophobicContact CG2-CB 4.4Å; I513-L543 PolarHBondContact N-O 2.79Å
544	I	93.8	Very high	85.4	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	111.8	174.8	-52.1	-58.2	0	0	0	108	I412 I413 V414 I513 A516 F527 L542 F554 F558	I412-I544 PolarHBondContact O-N 3.21Å; I413-I544 CarbonylContact C-O 3.4Å; I413-I544 WeakPolarHBondContact CA-O 3.22Å; I413-I544 HydrophobicContact CG1-CB 4.25Å; V414-I544 PolarHBondContact N-O 3.4Å; I513-I544 HydrophobicContact CB-CD1 3.8Å; I513-I544 HydrophobicContact CD1-CD1 3.78Å; I513-I544 HydrophobicContact CG1-CD1 3.99Å; I513-I544 CarbonylContact O-C 3.58Å; A516-I544 HydrophobicContact CB-CG2 3.73Å; F527-I544 HydrophobicContact CD1-CD1 4.28Å; F527-I544 HydrophobicContact CE1-CD1 4.03Å; F527-I544 HydrophobicContact CE1-CG2 4.24Å; L542-I544 HydrophobicContact CD1-CD1 3.84Å; L542-I544 HydrophobicContact CD2-CD1 4.02Å; L542-I544 HydrophobicContact CD2-CG1 4.47Å; L542-I544 HydrophobicContact CG-CD1 3.85Å; L542-I544 HydrophobicContact CG-CG1 4.33Å; I544-F554 HydrophobicContact CG2-CD1 4.46Å; I544-F558 HydrophobicContact CD1-CE2 4.01Å; I544-F558 HydrophobicContact CD1-CZ 3.95Å; I544-F558 HydrophobicContact CG1-CD2 4.13Å; I544-F558 HydrophobicContact CG1-CE2 3.7Å; I544-F558 HydrophobicContact CG1-CZ 4.1Å
545	S	90.3	Very high	85.5	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.014	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	129.5	179.6	-161.4	0	0	0	0	112	V414 K422 I513 D514 E515 A516	V414-S545 WeakPolarHBondContact O-CA 3.45Å; V414-S545 PolarHBondContact O-OG 2.89Å; K422-S545 VanDerWaalsContact CD-OG 3.29Å; K422-S545 WeakPolarHBondContact CD-OG 3.29Å; K422-S545 WeakPolarHBondContact CE-OG 3.45Å; I513-S545 PolarHBondContact O-N 2.74Å; D514-S545 WeakPolarHBondContact OD1-CB 3.33Å; E515-S545 PolarHBondContact N-O 2.79Å; A516-S545 WeakPolarHBondContact CB-O 3.34Å; A516-S545 PolarHBondContact N-O 3.46Å
546	S	86	Confident	85.6	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	149.6	178.3	-177.7	0	0	0	0	111.3	V414 G416 T548	V414-S546 PolarHBondContact O-N 3.37Å; G416-S546 PolarHBondContact N-O 3.04Å; S546-T548 PolarHBondContact OG-N 2.85Å; S546-T548 PolarHBondContact OG-OG1 3.1Å
547	A	77.6	Confident	85.8	Confident	18 Å²	18	37.4 Å²	37.4	15%	0.149	21%	0.205	C	C	.	.	S	Bend	trans	-99.5	-4.8	173.9	0	0	0	0	0	113.2	G416 T418 H517	G416-A547 WeakPolarHBondContact O-CA 3.38Å; T418-A547 HydrophobicContact CG2-CB 3.77Å; H517-A547 PolarHBondContact ND1-N 3.41Å
548	T	70.9	Confident	85.9	Confident	15 Å²	15	36.6 Å²	36.6	9%	0.092	20%	0.202	C	C	.	.	S	Bend	trans	-110.5	159.4	-175.5	61.3	0	0	0	0	111.7	H517 S546 D550 A712	H517-T548 HydrophobicContact CB-CG2 3.79Å; H517-T548 WeakPolarHBondContact CB-OG1 3.42Å; S546-T548 PolarHBondContact OG-N 2.85Å; S546-T548 PolarHBondContact OG-OG1 3.1Å; T548-D550 PolarHBondContact O-N 3.33Å; T548-D550 VanDerWaalsContact O-N 3.09Å; T548-A712 HydrophobicContact CG2-CB 4.43Å
549	L	58.8	Low	86.1	Confident	140 Å²	140	35.7 Å²	35.7	73%	0.733	19%	0.193	S	C	*	.	S	Bend	trans	-67.6	-1.4	-177.4	-71.1	160	0	0	0	114.5	A551	L549-A551 PolarHBondContact O-N 3.1Å; L549-A551 VanDerWaalsContact O-N 3.09Å
550	D	70.4	Confident	86.1	Confident	44 Å²	44	38.4 Å²	38.4	24%	0.235	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	33.8	-176.9	-158.3	14.5	0	0	0	113	T548 E552 K553 F554	T548-D550 PolarHBondContact O-N 3.33Å; T548-D550 VanDerWaalsContact O-N 3.09Å; D550-E552 PolarHBondContact O-N 3.46Å; D550-K553 PolarHBondContact O-N 3.46Å; D550-K553 WeakPolarHBondContact OD1-CB 3.41Å; D550-F554 WeakPolarHBondContact O-CD2 3.47Å
551	A	79	Confident	86	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.1	-24.7	176.3	0	0	0	0	0	112	I413 E415 L549 S555 I563	I413-A551 HydrophobicContact CG2-CB 4.03Å; E415-A551 HydrophobicContact CB-CB 4.33Å; E415-A551 HydrophobicContact CG-CB 4.47Å; L549-A551 PolarHBondContact O-N 3.1Å; L549-A551 VanDerWaalsContact O-N 3.09Å; A551-S555 WeakPolarHBondContact O-CB 3.41Å; A551-S555 PolarHBondContact O-N 3.49Å; A551-I563 HydrophobicContact CB-CD1 3.82Å; A551-I563 HydrophobicContact CB-CG1 4.13Å; A551-I563 HydrophobicContact CB-CG2 3.64Å
552	E	85.5	Confident	86	Confident	143 Å²	143	39.4 Å²	39.4	67%	0.668	22%	0.218	S	C	*	.	H	α-helix	trans	-66.3	-43.5	177.8	-66.7	179.5	-174.4	0	0	112.2	D550 F554 S555 A556	D550-E552 PolarHBondContact O-N 3.46Å; E552-F554 VanDerWaalsContact C-N 3.34Å; E552-F554 PolarHBondContact O-N 3.25Å; E552-S555 WeakPolarHBondContact O-CB 3.19Å; E552-S555 PolarHBondContact O-N 3.24Å; E552-S555 VanDerWaalsContact O-N 3.15Å; E552-A556 PolarHBondContact O-N 3.4Å
553	K	87.2	Confident	85.9	Confident	65 Å²	65	42 Å²	42	28%	0.283	23%	0.231	S	C	.	.	H	α-helix	trans	-64	-40.7	177.8	-172	179.9	-174.3	172.6	0	111.8	D550 S555 F557 L776 D777	D550-K553 PolarHBondContact O-N 3.46Å; D550-K553 WeakPolarHBondContact OD1-CB 3.41Å; K553-S555 VanDerWaalsContact C-N 3.34Å; K553-F557 WeakPolarHBondContact O-CB 3.45Å; K553-F557 PolarHBondContact O-N 3.32Å; K553-F557 VanDerWaalsContact O-N 3.12Å; K553-L776 HydrophobicContact CD-CD1 4.42Å; K553-L776 HydrophobicContact CG-CD1 4.04Å; K553-D777 IonicContact NZ-OD1 3.41Å; K553-D777 PolarHBondContact NZ-OD1 2.98Å; K553-D777 IonicContact NZ-OD2 3.15Å; K553-D777 PolarHBondContact NZ-OD2 2.83Å
554	F	89.4	Confident	85.7	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.018	24%	0.238	C	C	.	.	H	α-helix	trans	-64.9	-39.9	173.3	-64.9	-62.7	0	0	0	111.5	I413 A516 F527 I544 D550 E552 F557 F558 L776	I413-F554 HydrophobicContact CD1-CB 3.69Å; I413-F554 HydrophobicContact CG1-CB 4.19Å; I413-F554 HydrophobicContact CG2-CB 4.49Å; A516-F554 HydrophobicContact CB-CE1 4.29Å; A516-F554 HydrophobicContact CB-CZ 4.02Å; F527-F554 HydrophobicContact CE2-CD1 4.44Å; F527-F554 AromaticContact CE2-CE1 3.77Å; F527-F554 HydrophobicContact CE2-CE1 3.77Å; F527-F554 HydrophobicContact CZ-CD1 4.46Å; F527-F554 AromaticContact CZ-CE1 3.89Å; F527-F554 HydrophobicContact CZ-CE1 3.89Å; I544-F554 HydrophobicContact CG2-CD1 4.46Å; D550-F554 WeakPolarHBondContact O-CD2 3.47Å; E552-F554 VanDerWaalsContact C-N 3.34Å; E552-F554 PolarHBondContact O-N 3.25Å; F554-F557 PolarHBondContact O-N 3.13Å; F554-F558 VanDerWaalsContact O-CD2 3.27Å; F554-F558 WeakPolarHBondContact O-CD2 3.42Å; F554-F558 PolarHBondContact O-N 3.26Å; F554-L776 HydrophobicContact CD1-CD2 4.01Å; F554-L776 HydrophobicContact CE1-CD2 3.71Å
555	S	90.8	Very high	85.4	Confident	17 Å²	17	48.8 Å²	48.8	12%	0.119	26%	0.261	C	S	.	.	H	α-helix	trans	-62.6	-49.6	-180	-178.5	0	0	0	0	110.8	A551 E552 K553 F557 F558 D560 A561	A551-S555 WeakPolarHBondContact O-CB 3.41Å; A551-S555 PolarHBondContact O-N 3.49Å; E552-S555 WeakPolarHBondContact O-CB 3.19Å; E552-S555 PolarHBondContact O-N 3.24Å; E552-S555 VanDerWaalsContact O-N 3.15Å; K553-S555 VanDerWaalsContact C-N 3.34Å; S555-F557 VanDerWaalsContact C-N 3.28Å; S555-F557 PolarHBondContact O-N 2.78Å; S555-F558 CarbonylContact O-C 3.5Å; S555-F558 PolarHBondContact O-N 3.27Å; S555-D560 VanDerWaalsContact O-CA 3.22Å; S555-D560 WeakPolarHBondContact O-CA 3.46Å; S555-D560 PolarHBondContact O-N 2.91Å; S555-A561 WeakPolarHBondContact CB-O 3.49Å; S555-A561 PolarHBondContact O-N 3.37Å; S555-A561 PolarHBondContact OG-O 2.73Å
556	A	91.3	Very high	85	Confident	67 Å²	67	49.1 Å²	49.1	55%	0.554	26%	0.262	S	S	*	.	H	α-helix	trans	-60.2	-37	176.8	0	0	0	0	0	112.7	E552	E552-A556 PolarHBondContact O-N 3.4Å
557	F	90.9	Very high	84.4	Confident	22 Å²	22	52.5 Å²	52.5	10%	0.096	29%	0.285	C	S	.	.	H	α-helix	trans	-70.4	-37.5	178.7	-179.5	-95.4	0	0	0	113.1	F527 K531 K553 F554 S555 D559 D774 L776	F527-F557 HydrophobicContact CB-CE1 3.77Å; F527-F557 HydrophobicContact CB-CZ 4.28Å; K531-F557 HydrophobicContact CB-CE1 4.5Å; K531-F557 HydrophobicContact CD-CD1 4.42Å; K531-F557 HydrophobicContact CD-CE1 3.87Å; K531-F557 HydrophobicContact CD-CZ 4.01Å; K531-F557 WeakPolarHBondContact CE-O 3.42Å; K531-F557 PolarHBondContact NZ-O 3.19Å; K531-F557 VanDerWaalsContact NZ-O 3.08Å; K553-F557 WeakPolarHBondContact O-CB 3.45Å; K553-F557 PolarHBondContact O-N 3.32Å; K553-F557 VanDerWaalsContact O-N 3.12Å; F554-F557 PolarHBondContact O-N 3.13Å; S555-F557 VanDerWaalsContact C-N 3.28Å; S555-F557 PolarHBondContact O-N 2.78Å; F557-D559 VanDerWaalsContact C-N 3.3Å; F557-D559 PolarHBondContact O-N 2.85Å; F557-D774 HydrophobicContact CE2-CB 4.48Å; F557-D774 WeakPolarHBondContact CE2-O 3.26Å; F557-D774 HydrophobicContact CZ-CB 4.46Å; F557-D774 VanDerWaalsContact CZ-O 3.25Å; F557-D774 WeakPolarHBondContact CZ-O 3.35Å; F557-L776 HydrophobicContact CB-CD1 3.56Å; F557-L776 HydrophobicContact CD1-CD1 4.49Å; F557-L776 HydrophobicContact CD2-CB 4.2Å; F557-L776 HydrophobicContact CD2-CD1 3.64Å; F557-L776 HydrophobicContact CE2-CB 4.24Å; F557-L776 HydrophobicContact CE2-CD1 4.49Å; F557-L776 HydrophobicContact CG-CD1 3.63Å
558	F	91.8	Very high	83.5	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.018	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	45.2	178.4	-70.6	-70.8	0	0	0	112.3	I411 F527 K531 L542 I544 F554 S555 D560 A561	I411-F558 HydrophobicContact CD1-CB 4.39Å; I411-F558 HydrophobicContact CD1-CD1 4.07Å; I411-F558 HydrophobicContact CG2-CB 4Å; I411-F558 HydrophobicContact CG2-CD1 4.29Å; I411-F558 HydrophobicContact CG2-CG 4.13Å; F527-F558 HydrophobicContact CB-CZ 3.96Å; F527-F558 HydrophobicContact CD1-CE2 4.1Å; F527-F558 AromaticContact CD1-CZ 3.68Å; F527-F558 HydrophobicContact CD1-CZ 3.68Å; F527-F558 HydrophobicContact CE1-CZ 4.48Å; F527-F558 HydrophobicContact CG-CE2 4.43Å; F527-F558 HydrophobicContact CG-CZ 4.04Å; K531-F558 HydrophobicContact CB-CD1 4.35Å; K531-F558 HydrophobicContact CB-CE1 4.1Å; K531-F558 HydrophobicContact CG-CD1 4.44Å; L542-F558 HydrophobicContact CD2-CD1 4.18Å; L542-F558 HydrophobicContact CD2-CE1 3.78Å; L542-F558 HydrophobicContact CD2-CZ 4.33Å; I544-F558 HydrophobicContact CD1-CE2 4.01Å; I544-F558 HydrophobicContact CD1-CZ 3.95Å; I544-F558 HydrophobicContact CG1-CD2 4.13Å; I544-F558 HydrophobicContact CG1-CE2 3.7Å; I544-F558 HydrophobicContact CG1-CZ 4.1Å; F554-F558 VanDerWaalsContact O-CD2 3.27Å; F554-F558 WeakPolarHBondContact O-CD2 3.42Å; F554-F558 PolarHBondContact O-N 3.26Å; S555-F558 CarbonylContact O-C 3.5Å; S555-F558 PolarHBondContact O-N 3.27Å; F558-D560 PolarHBondContact O-N 3.4Å; F558-A561 HydrophobicContact CB-CB 3.98Å; F558-A561 WeakPolarHBondContact O-CB 3.49Å; F558-A561 PolarHBondContact O-N 3.32Å
559	D	89.5	Confident	82.9	Confident	96 Å²	96	53.9 Å²	53.9	51%	0.513	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	47.8	172.7	-57.4	-34.4	0	0	0	113	R535 F557	R535-D559 IonicContact CZ-OD2 2.78Å; R535-D559 IonicContact NE-OD2 2.97Å; R535-D559 IonicContact NH2-OD1 2.71Å; R535-D559 PolarHBondContact NH2-OD1 2.88Å; R535-D559 IonicContact NH2-OD2 3.55Å; R535-D559 PolarHBondContact NH2-OD2 3.47Å; F557-D559 VanDerWaalsContact C-N 3.3Å; F557-D559 PolarHBondContact O-N 2.85Å
560	D	90.2	Very high	82.9	Confident	132 Å²	132	50.7 Å²	50.7	71%	0.706	27%	0.268	S	S	*	.	S	Bend	trans	60.1	40	-178.7	-62.8	-45.5	0	0	0	114.4	S555 F558	S555-D560 VanDerWaalsContact O-CA 3.22Å; S555-D560 WeakPolarHBondContact O-CA 3.46Å; S555-D560 PolarHBondContact O-N 2.91Å; F558-D560 PolarHBondContact O-N 3.4Å
561	A	90.8	Very high	82.9	Confident	7 Å²	7	49.4 Å²	49.4	6%	0.058	26%	0.261	C	S	.	.			trans	-56.6	140.8	177.7	0	0	0	0	0	112.5	I411 I413 S555 F558	I411-A561 HydrophobicContact CB-CB 4.16Å; I411-A561 HydrophobicContact CG2-CB 3.94Å; I413-A561 HydrophobicContact CD1-CB 4.14Å; S555-A561 WeakPolarHBondContact CB-O 3.49Å; S555-A561 PolarHBondContact O-N 3.37Å; S555-A561 PolarHBondContact OG-O 2.73Å; F558-A561 HydrophobicContact CB-CB 3.98Å; F558-A561 WeakPolarHBondContact O-CB 3.49Å; F558-A561 PolarHBondContact O-N 3.32Å
562	P	93.5	Very high	83	Confident	48 Å²	48	50.7 Å²	50.7	31%	0.312	27%	0.269	S	S	.	.			trans	-64.2	141.8	-179.4	30.1	-40	0	0	0	112.1	H409 I411 I412 I413	H409-P562 HydrophobicContact CB-CG 3.99Å; I411-P562 WeakPolarHBondContact O-CD 3.27Å; I412-P562 HydrophobicContact CG1-CG 4.21Å; I413-P562 PolarHBondContact N-O 3.14Å
563	I	91.4	Very high	82.9	Confident	54 Å²	54	43.9 Å²	43.9	28%	0.277	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	115.8	178.3	-55.9	166.4	0	0	0	109	I413 E415 A551 K565	I413-I563 HydrophobicContact CB-CG1 4.36Å; I413-I563 HydrophobicContact CD1-CG1 4.46Å; I413-I563 CarbonylContact O-C 3.55Å; I413-I563 WeakPolarHBondContact O-CA 3.35Å; E415-I563 HydrophobicContact CB-CG2 4.24Å; A551-I563 HydrophobicContact CB-CD1 3.82Å; A551-I563 HydrophobicContact CB-CG1 4.13Å; A551-I563 HydrophobicContact CB-CG2 3.64Å; I563-K565 HydrophobicContact CG2-CG 3.83Å
564	F	89.7	Confident	83.1	Confident	37 Å²	37	42 Å²	42	16%	0.162	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	107.4	171.4	-166.8	-85.3	0	0	0	109.8	F398 D401 I402 A405 I412 I413 E415 I566	F398-F564 HydrophobicContact CB-CE1 4.11Å; F398-F564 HydrophobicContact CB-CZ 3.97Å; F398-F564 HydrophobicContact CD1-CZ 4.16Å; F398-F564 HydrophobicContact CG-CE1 4.47Å; F398-F564 HydrophobicContact CG-CZ 4.35Å; D401-F564 HydrophobicContact CB-CE2 3.93Å; D401-F564 HydrophobicContact CB-CZ 3.97Å; I402-F564 HydrophobicContact CD1-CD1 4.27Å; I402-F564 HydrophobicContact CD1-CE1 3.74Å; I402-F564 HydrophobicContact CD1-CZ 4.3Å; I402-F564 HydrophobicContact CG1-CD1 3.78Å; I402-F564 HydrophobicContact CG1-CD2 4.49Å; I402-F564 HydrophobicContact CG1-CE1 3.29Å; I402-F564 HydrophobicContact CG1-CE2 4.07Å; I402-F564 HydrophobicContact CG1-CG 4.36Å; I402-F564 HydrophobicContact CG1-CZ 3.46Å; I402-F564 VanDerWaalsContact CG1-CZ 3.46Å; A405-F564 HydrophobicContact CB-CD2 4.4Å; I412-F564 HydrophobicContact CG2-CB 4.12Å; I413-F564 PolarHBondContact O-N 3.14Å; E415-F564 PolarHBondContact N-O 2.59Å; F564-I566 HydrophobicContact CD1-CG1 3.91Å; F564-I566 HydrophobicContact CE1-CG1 3.8Å
565	K	87.8	Confident	83.2	Confident	109 Å²	109	42.1 Å²	42.1	47%	0.474	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	122.3	-179.6	-56.3	-164.2	-179.4	-141.7	0	110.9	E415 I563 P567	E415-K565 HydrophobicContact CB-CG 4.26Å; E415-K565 VanDerWaalsContact OE2-CD 3.23Å; E415-K565 WeakPolarHBondContact OE2-CD 3.44Å; E415-K565 WeakPolarHBondContact OE2-CE 3.48Å; E415-K565 WeakPolarHBondContact OE2-CG 3.1Å; E415-K565 IonicContact OE2-NZ 3.54Å; E415-K565 PolarHBondContact OE2-NZ 3.38Å; I563-K565 HydrophobicContact CG2-CG 3.83Å; K565-P567 VanDerWaalsContact O-CD 3.25Å; K565-P567 WeakPolarHBondContact O-CD 3.44Å
566	I	83.1	Confident	83.3	Confident	9 Å²	9	43.2 Å²	43.2	5%	0.046	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	104.9	173.3	-59.5	164.8	0	0	0	107.9	I395 F398 I402 V414 E415 K422 F564 G568	I395-I566 HydrophobicContact CB-CD1 4.49Å; I395-I566 HydrophobicContact CD1-CD1 3.77Å; I395-I566 HydrophobicContact CG1-CD1 3.87Å; F398-I566 HydrophobicContact CD2-CG2 4.34Å; I402-I566 HydrophobicContact CD1-CD1 4.29Å; V414-I566 HydrophobicContact CG1-CD1 3.7Å; V414-I566 HydrophobicContact CG1-CG1 4.47Å; E415-I566 PolarHBondContact O-N 3.13Å; K422-I566 HydrophobicContact CD-CD1 4.23Å; K422-I566 HydrophobicContact CG-CD1 3.96Å; F564-I566 HydrophobicContact CD1-CG1 3.91Å; F564-I566 HydrophobicContact CE1-CG1 3.8Å; I566-G568 PolarHBondContact O-N 3.39Å
567	P	72.1	Confident	83.3	Confident	72 Å²	72	40.6 Å²	40.6	47%	0.468	21%	0.209	S	C	.	.			trans	-71.5	131.1	-178	28.1	-34.1	0	0	0	111.8	N369 F398 K565	N369-P567 PolarHBondContact ND2-O 3.25Å; F398-P567 HydrophobicContact CE2-CG 4.02Å; F398-P567 HydrophobicContact CZ-CG 3.67Å; K565-P567 VanDerWaalsContact O-CD 3.25Å; K565-P567 WeakPolarHBondContact O-CD 3.44Å
568	G	59.1	Low	83.3	Confident	19 Å²	19	39.7 Å²	39.7	20%	0.196	21%	0.205	C	C	.	.			trans	116.9	129.8	152.5	0	0	0	0	0	116.9	E417 I566	E417-G568 VanDerWaalsContact OE2-C 3.3Å; I566-G568 PolarHBondContact O-N 3.39Å
569	R	58.1	Low	83.1	Confident	42 Å²	42	45.8 Å²	45.8	16%	0.158	23%	0.232	C	C	.	.			trans	-66.8	148.5	151.9	-64.9	-174.3	-177.2	-177.3	-0.6	108.1	N369 E417 F571	N369-R569 PolarHBondContact N-O 2.9Å; E417-R569 WeakPolarHBondContact OE1-CG 3.48Å; E417-R569 IonicContact OE1-CZ 3.88Å; E417-R569 IonicContact OE1-NE 3.98Å; E417-R569 PolarHBondContact OE1-NE 3.07Å; E417-R569 IonicContact OE1-NH2 3.76Å; E417-R569 PolarHBondContact OE1-NH2 3.3Å; E417-R569 VanDerWaalsContact OE2-CA 3.29Å; E417-R569 WeakPolarHBondContact OE2-CA 3.46Å; E417-R569 WeakPolarHBondContact OE2-CG 3.36Å; E417-R569 PolarHBondContact OE2-N 3.43Å; E417-R569 IonicContact OE2-NE 3.72Å; R569-F571 WeakPolarHBondContact CB-O 3.46Å; R569-F571 PolarHBondContact O-N 2.77Å
570	R	59.1	Low	82.9	Confident	73 Å²	73	43.7 Å²	43.7	28%	0.275	23%	0.228	S	C	.	.	S	Bend	trans	-62.4	-37.8	166.6	-64.4	-167.1	-154.6	-173.2	13.4	111	V370 P394 G419	V370-R570 WeakPolarHBondContact CG2-O 3.19Å; P394-R570 HydrophobicContact CG-CG 4.01Å; G419-R570 PolarHBondContact O-NE 2.83Å; G419-R570 PolarHBondContact O-NH2 3.2Å
571	F	70.4	Confident	82.8	Confident	18 Å²	18	42.6 Å²	42.6	8%	0.079	23%	0.228	C	C	.	.	S	Bend	trans	-141.6	151.1	-174	-60.2	-76	0	0	0	113.6	V370 R569 G722 T724 G725 P726	V370-F571 HydrophobicContact CB-CD1 4.36Å; V370-F571 HydrophobicContact CB-CE1 4.02Å; V370-F571 HydrophobicContact CG1-CE1 4.2Å; V370-F571 HydrophobicContact CG2-CE1 4.13Å; V370-F571 HydrophobicContact CG2-CZ 4.46Å; R569-F571 WeakPolarHBondContact CB-O 3.46Å; R569-F571 PolarHBondContact O-N 2.77Å; F571-G722 PolarHBondContact N-O 3.05Å; F571-T724 WeakPolarHBondContact CE2-O 3.49Å; F571-G725 WeakPolarHBondContact CB-O 3.34Å; F571-G725 VanDerWaalsContact CG-CA 3.43Å; F571-P726 HydrophobicContact CD1-CG 4.17Å
572	P	80.8	Confident	82.6	Confident	26 Å²	26	45.8 Å²	45.8	17%	0.169	24%	0.241	C	C	.	.			trans	-70.2	153.5	177.1	29.5	-35	0	0	0	112.5	T366 P726 G727	T366-P572 WeakPolarHBondContact O-CA 3.45Å; T366-P572 WeakPolarHBondContact O-CB 3.47Å; P572-P726 HydrophobicContact CG-CB 4.41Å; P572-P726 WeakPolarHBondContact O-CA 3.49Å; P572-G727 PolarHBondContact O-N 3.47Å; P572-G727 VanDerWaalsContact O-N 3.1Å
573	V	84.7	Confident	82.2	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.3	174.8	-177.6	0	0	0	0	110.1	T366 A721 G722 G727 C729	T366-V573 PolarHBondContact N-O 2.82Å; T366-V573 PolarHBondContact O-N 3.08Å; V573-A721 HydrophobicContact CG1-CB 4.08Å; V573-A721 HydrophobicContact CG2-CB 4.23Å; V573-G722 VanDerWaalsContact CG2-CA 3.48Å; V573-G727 VanDerWaalsContact CA-O 3.32Å; V573-G727 WeakPolarHBondContact CA-O 3.36Å; V573-C729 HydrophobicContact CG1-CB 3.97Å
574	D	89.8	Confident	82.1	Confident	25 Å²	25	50.5 Å²	50.5	13%	0.134	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	128.6	172.1	-79.3	-22.9	0	0	0	110.5	K362 Q365 Y576 G727 K728 C729	K362-D574 VanDerWaalsContact CE-OD1 3.28Å; K362-D574 WeakPolarHBondContact CE-OD1 3.5Å; K362-D574 IonicContact NZ-OD1 3.62Å; K362-D574 PolarHBondContact NZ-OD1 3.16Å; K362-D574 IonicContact NZ-OD2 3.59Å; K362-D574 PolarHBondContact NZ-OD2 3.04Å; Q365-D574 WeakPolarHBondContact CB-OD1 3.17Å; Q365-D574 VanDerWaalsContact CG-OD1 3.24Å; Q365-D574 WeakPolarHBondContact CG-OD1 3.1Å; D574-Y576 HydrophobicContact CB-CD2 4.49Å; D574-Y576 HydrophobicContact CB-CE2 3.75Å; D574-G727 PolarHBondContact N-O 3.45Å; D574-K728 HydrophobicContact CB-CG 4.26Å; D574-K728 CarbonylContact O-C 3.4Å; D574-K728 WeakPolarHBondContact O-CA 3.4Å; D574-C729 PolarHBondContact O-N 3.23Å
575	I	91.7	Very high	82.2	Confident	8 Å²	8	50.7 Å²	50.7	4%	0.041	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.1	-179.6	-53.5	176.8	0	0	0	110.3	A363 L364 Y577 R731	A363-I575 PolarHBondContact N-O 3.41Å; A363-I575 VanDerWaalsContact N-O 3.16Å; L364-I575 PolarHBondContact O-N 3.06Å; I575-Y577 HydrophobicContact CB-CE2 4.45Å; I575-Y577 HydrophobicContact CG2-CD2 4.23Å; I575-Y577 HydrophobicContact CG2-CE1 4.41Å; I575-Y577 HydrophobicContact CG2-CE2 3.57Å; I575-R731 HydrophobicContact CG2-CG 4.44Å
576	Y	93.1	Very high	82.4	Confident	39 Å²	39	47.7 Å²	47.7	15%	0.153	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	137.3	177.4	-66.2	-89	0	0	0	109.9	F360 V361 K362 D574 K728 C729 F730 R731	F360-Y576 HydrophobicContact CB-CD1 4.07Å; F360-Y576 HydrophobicContact CB-CG 4.44Å; V361-Y576 WeakPolarHBondContact O-CA 3.47Å; K362-Y576 HydrophobicContact CB-CD1 3.97Å; K362-Y576 HydrophobicContact CB-CE1 3.74Å; K362-Y576 HydrophobicContact CD-CE1 4.36Å; K362-Y576 HydrophobicContact CG-CE1 4.17Å; D574-Y576 HydrophobicContact CB-CD2 4.49Å; D574-Y576 HydrophobicContact CB-CE2 3.75Å; Y576-K728 HydrophobicContact CD2-CB 4.4Å; Y576-K728 HydrophobicContact CE2-CB 4Å; Y576-K728 HydrophobicContact CE2-CD 3.87Å; Y576-K728 HydrophobicContact CE2-CG 4.06Å; Y576-C729 PolarHBondContact N-O 3.35Å; Y576-F730 HydrophobicContact CD2-CD1 4.14Å; Y576-F730 AromaticContact CD2-CE1 3.93Å; Y576-F730 HydrophobicContact CD2-CE1 3.93Å; Y576-F730 HydrophobicContact CD2-CZ 4.32Å; Y576-F730 HydrophobicContact CE2-CE1 4.38Å; Y576-F730 HydrophobicContact CE2-CZ 4.48Å; Y576-F730 HydrophobicContact CG-CD1 4.08Å; Y576-F730 HydrophobicContact CG-CE1 4.05Å; Y576-R731 WeakPolarHBondContact O-CB 3.37Å; Y576-R731 PolarHBondContact O-N 3.09Å
577	Y	92.1	Very high	82.8	Confident	12 Å²	12	50 Å²	50	5%	0.047	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	150.9	175.6	-63.5	-88.6	0	0	0	110.2	F360 V361 A363 I575 R731 Y733 A735 Y738	F360-Y577 CarbonylContact C-O 3.57Å; F360-Y577 WeakPolarHBondContact CA-O 3.39Å; V361-Y577 PolarHBondContact N-O 2.92Å; V361-Y577 PolarHBondContact O-N 2.67Å; A363-Y577 HydrophobicContact CB-CD2 3.54Å; A363-Y577 HydrophobicContact CB-CE2 3.63Å; I575-Y577 HydrophobicContact CB-CE2 4.45Å; I575-Y577 HydrophobicContact CG2-CD2 4.23Å; I575-Y577 HydrophobicContact CG2-CE1 4.41Å; I575-Y577 HydrophobicContact CG2-CE2 3.57Å; Y577-R731 HydrophobicContact CD1-CB 3.94Å; Y577-R731 HydrophobicContact CE1-CB 4.27Å; Y577-R731 HydrophobicContact CE1-CG 4.43Å; Y577-R731 PolarHBondContact OH-NH1 2.65Å; Y577-Y733 WeakPolarHBondContact CB-O 3.34Å; Y577-Y733 HydrophobicContact CD1-CD2 4.41Å; Y577-Y733 HydrophobicContact CD1-CE2 4.47Å; Y577-Y733 WeakPolarHBondContact CD1-O 3.33Å; Y577-Y733 HydrophobicContact CE1-CE2 4.21Å; Y577-A735 HydrophobicContact CD1-CB 4.17Å; Y577-A735 HydrophobicContact CD2-CB 3.92Å; Y577-A735 HydrophobicContact CE1-CB 4.45Å; Y577-A735 HydrophobicContact CE2-CB 4.23Å; Y577-A735 HydrophobicContact CG-CB 3.88Å; Y577-Y738 HydrophobicContact CE1-CD1 4.4Å; Y577-Y738 AromaticContact CE1-CG 3.99Å; Y577-Y738 HydrophobicContact CE1-CG 3.99Å; Y577-Y738 WeakPolarHBondContact OH-CD1 3.32Å
578	T	90.3	Very high	83.7	Confident	4 Å²	4	46.7 Å²	46.7	3%	0.025	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	150.2	171.3	54.7	0	0	0	0	110.9	I358 F360 A580 E582 R731 L732 Y733	I358-T578 HydrophobicContact CG2-CG2 3.86Å; F360-T578 HydrophobicContact CD1-CG2 4.28Å; F360-T578 HydrophobicContact CE1-CG2 3.84Å; T578-A580 VanDerWaalsContact CB-O 3.29Å; T578-A580 WeakPolarHBondContact CB-O 3Å; T578-A580 PolarHBondContact OG1-O 2.57Å; T578-E582 HydrophobicContact CG2-CG 4.12Å; T578-R731 PolarHBondContact N-O 2.9Å; T578-L732 HydrophobicContact CG2-CB 4.45Å; T578-L732 HydrophobicContact CG2-CD2 4.29Å; T578-Y733 PolarHBondContact N-O 3.35Å; T578-Y733 VanDerWaalsContact OG1-C 3.26Å; T578-Y733 WeakPolarHBondContact OG1-CA 3.29Å; T578-Y733 PolarHBondContact OG1-N 3.08Å; T578-Y733 PolarHBondContact OG1-O 3.22Å
579	K	87.2	Confident	85.3	Confident	132 Å²	132	45.8 Å²	45.8	57%	0.574	25%	0.25	S	S	*	.	S	Bend	trans	-67.5	-38	175.1	-73.3	-179.3	-176.3	167.2	0	112.2	D359 V361	D359-K579 HydrophobicContact CB-CD 3.64Å; D359-K579 HydrophobicContact CB-CG 4.19Å; D359-K579 VanDerWaalsContact CG-NZ 3.35Å; D359-K579 PolarHBondContact O-N 3.2Å; D359-K579 IonicContact OD2-NZ 3.32Å; D359-K579 PolarHBondContact OD2-NZ 3.18Å; V361-K579 HydrophobicContact CG2-CG 3.57Å
580	A	87	Confident	87	Confident	52 Å²	52	44.1 Å²	44.1	43%	0.43	24%	0.244	S	C	.	.	S	Bend	trans	-126.3	157.7	-178.8	0	0	0	0	0	110.1	T578	T578-A580 VanDerWaalsContact CB-O 3.29Å; T578-A580 WeakPolarHBondContact CB-O 3Å; T578-A580 PolarHBondContact OG1-O 2.57Å
581	P	87.5	Confident	88.5	Confident	108 Å²	108	41 Å²	41	70%	0.701	23%	0.233	S	C	*	.			trans	-66	132.1	170.6	28.1	-33.4	0	0	0	110.3
582	E	86.9	Confident	89.5	Confident	75 Å²	75	40.1 Å²	40.1	35%	0.35	23%	0.23	S	C	.	.			trans	-87.5	126.3	177.9	-61.7	-59.5	154.1	0	0	110.1	T578 A588	T578-E582 HydrophobicContact CG2-CG 4.12Å; E582-A588 HydrophobicContact CB-CB 4.32Å; E582-A588 HydrophobicContact CG-CB 4.17Å
583	A	85	Confident	90.1	Very high	110 Å²	110	38.9 Å²	38.9	91%	0.909	22%	0.221	S	C	*	.	S	Bend	trans	-74.4	-38.8	-179.8	0	0	0	0	0	112.2
584	D	89.6	Confident	90.4	Very high	90 Å²	90	39.1 Å²	39.1	48%	0.481	22%	0.223	S	C	.	.			trans	-113.2	96	174.3	-172.2	-13.1	0	0	0	109.7	I586 D587 A588	D584-I586 PolarHBondContact O-N 2.99Å; D584-I586 WeakPolarHBondContact OD1-CA 3.49Å; D584-I586 VanDerWaalsContact OD1-CB 3.32Å; D584-I586 WeakPolarHBondContact OD1-CB 3.3Å; D584-I586 PolarHBondContact OD1-N 3.18Å; D584-D587 PolarHBondContact OD1-N 3.29Å; D584-A588 WeakPolarHBondContact O-CB 3.49Å; D584-A588 PolarHBondContact O-N 3.03Å
585	Y	91.7	Very high	90.4	Very high	42 Å²	42	40 Å²	40	17%	0.165	23%	0.226	C	C	.	.	H	α-helix	trans	-70.8	-19.7	178.4	62.4	-96.7	0	0	0	112.8	C589 E615 P687 F689	Y585-C589 WeakPolarHBondContact O-CB 3.13Å; Y585-C589 PolarHBondContact O-N 3.46Å; Y585-C589 PolarHBondContact O-SG 2.96Å; Y585-E615 PolarHBondContact OH-OE1 3.29Å; Y585-P687 HydrophobicContact CD2-CB 3.89Å; Y585-P687 HydrophobicContact CD2-CG 4.43Å; Y585-P687 HydrophobicContact CG-CB 4.11Å; Y585-F689 AromaticContact CD1-CD2 3.82Å; Y585-F689 HydrophobicContact CD1-CD2 3.82Å; Y585-F689 AromaticContact CD1-CE2 3.58Å; Y585-F689 HydrophobicContact CD1-CE2 3.58Å; Y585-F689 HydrophobicContact CD2-CD2 4.49Å; Y585-F689 AromaticContact CE1-CD2 3.88Å; Y585-F689 HydrophobicContact CE1-CD2 3.88Å; Y585-F689 AromaticContact CE1-CE2 3.92Å; Y585-F689 HydrophobicContact CE1-CE2 3.92Å; Y585-F689 HydrophobicContact CG-CD2 4.14Å; Y585-F689 HydrophobicContact CG-CE2 4.12Å
586	I	91.5	Very high	90.4	Very high	46 Å²	46	39.9 Å²	39.9	24%	0.236	23%	0.225	C	C	.	.	H	α-helix	trans	-71.4	-50.5	-178.7	-61.7	-179.8	0	0	0	109.1	D584 A588 C589 I590 E615 V619	D584-I586 PolarHBondContact O-N 2.99Å; D584-I586 WeakPolarHBondContact OD1-CA 3.49Å; D584-I586 VanDerWaalsContact OD1-CB 3.32Å; D584-I586 WeakPolarHBondContact OD1-CB 3.3Å; D584-I586 PolarHBondContact OD1-N 3.18Å; I586-A588 VanDerWaalsContact C-N 3.32Å; I586-A588 PolarHBondContact O-N 3.23Å; I586-C589 WeakPolarHBondContact O-CB 3.23Å; I586-C589 PolarHBondContact O-N 3.03Å; I586-I590 HydrophobicContact CG2-CD1 4.3Å; I586-I590 WeakPolarHBondContact O-CG1 3.2Å; I586-I590 PolarHBondContact O-N 3.22Å; I586-I590 VanDerWaalsContact O-N 3.13Å; I586-E615 HydrophobicContact CD1-CG 4.04Å; I586-V619 HydrophobicContact CG2-CG2 3.54Å
587	D	90.6	Very high	90.2	Very high	56 Å²	56	38.7 Å²	38.7	30%	0.299	22%	0.221	S	C	.	.	H	α-helix	trans	-63.4	-41.9	175.7	-171.3	51.1	0	0	0	111.2	D584 C589 I590 V591 R626	D584-D587 PolarHBondContact OD1-N 3.29Å; D587-C589 VanDerWaalsContact C-N 3.29Å; D587-C589 PolarHBondContact O-N 3.34Å; D587-I590 WeakPolarHBondContact O-CB 3.32Å; D587-I590 PolarHBondContact O-N 3.49Å; D587-V591 WeakPolarHBondContact O-CG2 3.37Å; D587-V591 PolarHBondContact O-N 3.35Å; D587-R626 IonicContact OD1-CZ 3.7Å; D587-R626 IonicContact OD1-NH1 3.8Å; D587-R626 PolarHBondContact OD1-NH1 3.1Å; D587-R626 IonicContact OD1-NH2 2.84Å; D587-R626 PolarHBondContact OD1-NH2 3.2Å
588	A	91.5	Very high	90	Very high	4 Å²	4	41.3 Å²	41.3	3%	0.033	24%	0.238	C	C	.	.	H	α-helix	trans	-60.5	-36.5	176.4	0	0	0	0	0	113.2	I358 E582 D584 I586 S592 L732	I358-A588 HydrophobicContact CD1-CB 3.59Å; I358-A588 WeakPolarHBondContact CD1-O 3.45Å; E582-A588 HydrophobicContact CB-CB 4.32Å; E582-A588 HydrophobicContact CG-CB 4.17Å; D584-A588 WeakPolarHBondContact O-CB 3.49Å; D584-A588 PolarHBondContact O-N 3.03Å; I586-A588 VanDerWaalsContact C-N 3.32Å; I586-A588 PolarHBondContact O-N 3.23Å; A588-S592 VanDerWaalsContact O-CB 3.25Å; A588-S592 WeakPolarHBondContact O-CB 3.28Å; A588-S592 PolarHBondContact O-N 3.3Å; A588-S592 PolarHBondContact O-OG 3.2Å; A588-L732 HydrophobicContact CB-CD1 3.94Å
589	C	93.3	Very high	89.8	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-48.3	171.4	-75.9	0	0	0	0	111.3	Y585 I586 D587 V591 S592 V593 V608 L732	Y585-C589 WeakPolarHBondContact O-CB 3.13Å; Y585-C589 PolarHBondContact O-N 3.46Å; Y585-C589 PolarHBondContact O-SG 2.96Å; I586-C589 WeakPolarHBondContact O-CB 3.23Å; I586-C589 PolarHBondContact O-N 3.03Å; D587-C589 VanDerWaalsContact C-N 3.29Å; D587-C589 PolarHBondContact O-N 3.34Å; C589-V591 PolarHBondContact O-N 3.5Å; C589-S592 PolarHBondContact O-N 3.04Å; C589-V593 VanDerWaalsContact O-CG2 3.31Å; C589-V593 WeakPolarHBondContact O-CG2 3.45Å; C589-V593 PolarHBondContact O-N 2.81Å; C589-V608 HydrophobicContact CB-CG1 4.23Å; C589-L732 HydrophobicContact CB-CD1 4.36Å; C589-L732 WeakPolarHBondContact SG-CD1 2.98Å
590	I	92.7	Very high	89.8	Confident	6 Å²	6	40.7 Å²	40.7	3%	0.031	24%	0.243	C	C	.	.	H	α-helix	trans	-61.5	-47.5	-177.8	-65.4	161.5	0	0	0	110.7	I586 D587 S592 V593 L594 V619 A622 L623	I586-I590 HydrophobicContact CG2-CD1 4.3Å; I586-I590 WeakPolarHBondContact O-CG1 3.2Å; I586-I590 PolarHBondContact O-N 3.22Å; I586-I590 VanDerWaalsContact O-N 3.13Å; D587-I590 WeakPolarHBondContact O-CB 3.32Å; D587-I590 PolarHBondContact O-N 3.49Å; I590-S592 VanDerWaalsContact C-N 3.35Å; I590-S592 PolarHBondContact O-N 3.05Å; I590-V593 PolarHBondContact O-N 2.83Å; I590-L594 HydrophobicContact CG2-CD1 4.25Å; I590-L594 WeakPolarHBondContact O-CG 3.3Å; I590-L594 PolarHBondContact O-N 3.28Å; I590-L594 VanDerWaalsContact O-N 3.12Å; I590-V619 HydrophobicContact CD1-CG2 4.43Å; I590-V619 HydrophobicContact CG1-CG1 4.01Å; I590-V619 HydrophobicContact CG1-CG2 4.33Å; I590-A622 HydrophobicContact CD1-CB 3.61Å; I590-L623 HydrophobicContact CG2-CD2 3.87Å; I590-L623 HydrophobicContact CG2-CG 4.37Å
591	V	91.9	Very high	89.6	Confident	7 Å²	7	42.5 Å²	42.5	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-59.1	-47.3	176.7	171.5	0	0	0	0	110.6	D356 I358 D587 C589 V593 L594 Q595	D356-V591 WeakPolarHBondContact O-CG1 3.34Å; I358-V591 HydrophobicContact CD1-CB 4.1Å; I358-V591 HydrophobicContact CD1-CG1 4.02Å; I358-V591 HydrophobicContact CG1-CG1 4.12Å; D587-V591 WeakPolarHBondContact O-CG2 3.37Å; D587-V591 PolarHBondContact O-N 3.35Å; C589-V591 PolarHBondContact O-N 3.5Å; V591-V593 PolarHBondContact O-N 3.35Å; V591-L594 PolarHBondContact O-N 2.92Å; V591-Q595 WeakPolarHBondContact O-CB 3.28Å; V591-Q595 PolarHBondContact O-N 3.29Å
592	S	91.8	Very high	89.3	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.6	-41.2	179.3	-63.1	0	0	0	0	112.3	A588 C589 I590 L594 Q595 I596	A588-S592 VanDerWaalsContact O-CB 3.25Å; A588-S592 WeakPolarHBondContact O-CB 3.28Å; A588-S592 PolarHBondContact O-N 3.3Å; A588-S592 PolarHBondContact O-OG 3.2Å; C589-S592 PolarHBondContact O-N 3.04Å; I590-S592 VanDerWaalsContact C-N 3.35Å; I590-S592 PolarHBondContact O-N 3.05Å; S592-L594 PolarHBondContact O-N 3.43Å; S592-Q595 PolarHBondContact O-N 2.92Å; S592-I596 WeakPolarHBondContact O-CB 3.13Å; S592-I596 WeakPolarHBondContact O-CD1 3.43Å; S592-I596 WeakPolarHBondContact O-CG1 3.17Å; S592-I596 PolarHBondContact O-N 2.72Å
593	V	93.5	Very high	88.9	Confident	0 Å²	0	42 Å²	42	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59	-48.6	175	169.9	0	0	0	0	110.9	C589 I590 V591 I596 H597 I606 V608 L623 L637 V665 I685	C589-V593 VanDerWaalsContact O-CG2 3.31Å; C589-V593 WeakPolarHBondContact O-CG2 3.45Å; C589-V593 PolarHBondContact O-N 2.81Å; I590-V593 PolarHBondContact O-N 2.83Å; V591-V593 PolarHBondContact O-N 3.35Å; V593-I596 PolarHBondContact O-N 3.16Å; V593-H597 WeakPolarHBondContact O-CB 3.27Å; V593-H597 PolarHBondContact O-N 3.02Å; V593-I606 HydrophobicContact CG1-CD1 4.24Å; V593-I606 HydrophobicContact CG2-CG2 4.39Å; V593-V608 HydrophobicContact CG2-CG2 3.62Å; V593-L623 HydrophobicContact CB-CD2 4.08Å; V593-L623 HydrophobicContact CG1-CD1 4.28Å; V593-L623 HydrophobicContact CG1-CD2 3.79Å; V593-L637 HydrophobicContact CG1-CD2 4.25Å; V593-V665 HydrophobicContact CG1-CG1 4.18Å; V593-V665 HydrophobicContact CG1-CG2 3.87Å; V593-V665 HydrophobicContact CG2-CG1 4.41Å; V593-I685 HydrophobicContact CB-CD1 4.29Å; V593-I685 HydrophobicContact CG2-CD1 3.44Å; V593-I685 VanDerWaalsContact CG2-CD1 3.44Å
594	L	91.1	Very high	89	Confident	6 Å²	6	37.1 Å²	37.1	3%	0.031	21%	0.211	C	C	.	.	H	α-helix	trans	-66	-43.3	-179	-67.3	173.2	0	0	0	111.6	I590 V591 S592 I596 H597 V598 L623 R626 I630 M634	I590-L594 HydrophobicContact CG2-CD1 4.25Å; I590-L594 WeakPolarHBondContact O-CG 3.3Å; I590-L594 PolarHBondContact O-N 3.28Å; I590-L594 VanDerWaalsContact O-N 3.12Å; V591-L594 PolarHBondContact O-N 2.92Å; S592-L594 PolarHBondContact O-N 3.43Å; L594-I596 PolarHBondContact O-N 3.42Å; L594-H597 PolarHBondContact O-N 3.35Å; L594-V598 WeakPolarHBondContact O-CG2 3.46Å; L594-V598 PolarHBondContact O-N 2.93Å; L594-L623 HydrophobicContact CD2-CD2 4.34Å; L594-L623 HydrophobicContact CG-CD2 4.29Å; L594-R626 HydrophobicContact CD1-CB 4.01Å; L594-R626 HydrophobicContact CD1-CG 4.46Å; L594-I630 HydrophobicContact CD2-CD1 4.45Å; L594-M634 HydrophobicContact CD2-CE 4.1Å
595	Q	89.4	Confident	89.2	Confident	44 Å²	44	33.6 Å²	33.6	21%	0.206	19%	0.192	C	C	.	.	H	α-helix	trans	-60.7	-45.4	176	-176.2	-179.8	-2.6	0	0	111.4	V591 S592 H597 V598 T599	V591-Q595 WeakPolarHBondContact O-CB 3.28Å; V591-Q595 PolarHBondContact O-N 3.29Å; S592-Q595 PolarHBondContact O-N 2.92Å; Q595-H597 VanDerWaalsContact C-N 3.34Å; Q595-H597 PolarHBondContact O-N 3.47Å; Q595-V598 PolarHBondContact O-N 2.96Å; Q595-T599 HydrophobicContact CG-CG2 4.27Å; Q595-T599 WeakPolarHBondContact O-CB 3.47Å; Q595-T599 VanDerWaalsContact O-CG2 3.31Å; Q595-T599 WeakPolarHBondContact O-CG2 3.22Å; Q595-T599 PolarHBondContact O-N 3.19Å; Q595-T599 PolarHBondContact O-OG1 3.21Å
596	I	91	Very high	89.3	Confident	4 Å²	4	31.6 Å²	31.6	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-64.2	-41.4	177.8	-69.8	163.3	0	0	0	110.4	S592 V593 L594 V598 Q600 I606 R663 Y683 I685 F730	S592-I596 WeakPolarHBondContact O-CB 3.13Å; S592-I596 WeakPolarHBondContact O-CD1 3.43Å; S592-I596 WeakPolarHBondContact O-CG1 3.17Å; S592-I596 PolarHBondContact O-N 2.72Å; V593-I596 PolarHBondContact O-N 3.16Å; L594-I596 PolarHBondContact O-N 3.42Å; I596-V598 PolarHBondContact O-N 3.19Å; I596-Q600 HydrophobicContact CB-CG 4.4Å; I596-Q600 HydrophobicContact CG2-CB 4.31Å; I596-Q600 HydrophobicContact CG2-CG 3.92Å; I596-Q600 VanDerWaalsContact O-CB 3.26Å; I596-Q600 WeakPolarHBondContact O-CB 3.48Å; I596-Q600 PolarHBondContact O-N 3.19Å; I596-I606 HydrophobicContact CB-CD1 4.18Å; I596-I606 HydrophobicContact CG2-CD1 3.75Å; I596-I606 HydrophobicContact CG2-CG1 3.86Å; I596-R663 PolarHBondContact O-NH1 3.41Å; I596-Y683 HydrophobicContact CG2-CD1 3.97Å; I596-Y683 HydrophobicContact CG2-CD2 3.86Å; I596-Y683 HydrophobicContact CG2-CE2 4.41Å; I596-Y683 HydrophobicContact CG2-CG 3.63Å; I596-I685 HydrophobicContact CD1-CD1 3.81Å; I596-I685 HydrophobicContact CD1-CG1 3.83Å; I596-F730 HydrophobicContact CD1-CD2 3.37Å; I596-F730 HydrophobicContact CD1-CE2 3.37Å; I596-F730 HydrophobicContact CD1-CG 4.03Å; I596-F730 HydrophobicContact CD1-CZ 4.03Å; I596-F730 HydrophobicContact CG1-CD2 4.19Å; I596-F730 HydrophobicContact CG1-CE2 3.71Å; I596-F730 HydrophobicContact CG1-CZ 3.92Å
597	H	89.4	Confident	89.4	Confident	14 Å²	14	29.4 Å²	29.4	7%	0.065	17%	0.173	C	C	.	.	H	α-helix	trans	-60.4	-41.1	177.2	-171.7	55.3	0	0	0	113.6	V593 L594 Q595 K635 L637 R663	V593-H597 WeakPolarHBondContact O-CB 3.27Å; V593-H597 PolarHBondContact O-N 3.02Å; L594-H597 PolarHBondContact O-N 3.35Å; Q595-H597 VanDerWaalsContact C-N 3.34Å; Q595-H597 PolarHBondContact O-N 3.47Å; H597-K635 PolarHBondContact NE2-O 2.93Å; H597-L637 HydrophobicContact CB-CD1 4.34Å; H597-R663 VanDerWaalsContact CA-NH1 3.29Å
598	V	87.2	Confident	89.7	Confident	67 Å²	67	26.8 Å²	26.8	41%	0.406	16%	0.159	S	C	.	.	H	α-helix	trans	-78.8	-43.4	-179.6	176	0	0	0	0	112	L352 L594 Q595 I596 M634	L352-V598 HydrophobicContact CD1-CG1 4.31Å; L594-V598 WeakPolarHBondContact O-CG2 3.46Å; L594-V598 PolarHBondContact O-N 2.93Å; Q595-V598 PolarHBondContact O-N 2.96Å; I596-V598 PolarHBondContact O-N 3.19Å; V598-M634 HydrophobicContact CG2-CG 3.91Å; V598-M634 HydrophobicContact CG2-SD 3.43Å; V598-M634 WeakPolarHBondContact CG2-SD 3.31Å
599	T	86.9	Confident	89.9	Confident	84 Å²	84	26.6 Å²	26.6	52%	0.515	16%	0.157	S	C	.	.	H	α-helix	trans	-90	-31.6	-168	62.1	0	0	0	0	114.4	Q595	Q595-T599 HydrophobicContact CG-CG2 4.27Å; Q595-T599 WeakPolarHBondContact O-CB 3.47Å; Q595-T599 VanDerWaalsContact O-CG2 3.31Å; Q595-T599 WeakPolarHBondContact O-CG2 3.22Å; Q595-T599 PolarHBondContact O-N 3.19Å; Q595-T599 PolarHBondContact O-OG1 3.21Å
600	Q	87.2	Confident	90	Very high	39 Å²	39	26.6 Å²	26.6	18%	0.182	16%	0.157	C	C	.	.	S	Bend	trans	-93.8	144.6	-171	-57.2	-58	-58	0	0	112.6	I596 R663 Y683	I596-Q600 HydrophobicContact CB-CG 4.4Å; I596-Q600 HydrophobicContact CG2-CB 4.31Å; I596-Q600 HydrophobicContact CG2-CG 3.92Å; I596-Q600 VanDerWaalsContact O-CB 3.26Å; I596-Q600 WeakPolarHBondContact O-CB 3.48Å; I596-Q600 PolarHBondContact O-N 3.19Å; Q600-R663 PolarHBondContact O-NH2 3Å; Q600-Y683 HydrophobicContact CB-CE1 3.77Å; Q600-Y683 HydrophobicContact CB-CE2 4.14Å; Q600-Y683 VanDerWaalsContact CB-CZ 3.49Å; Q600-Y683 WeakPolarHBondContact CB-OH 3.39Å; Q600-Y683 HydrophobicContact CG-CD1 4.33Å; Q600-Y683 HydrophobicContact CG-CE1 3.73Å
601	P	83.3	Confident	89.9	Confident	91 Å²	91	26.6 Å²	26.6	59%	0.591	16%	0.158	S	C	*	.	P	Polyproline II helix	trans	-64.7	157.3	-177.5	27.7	-35.4	0	0	0	113.2	R663 Y683	P601-R663 PolarHBondContact O-NH2 2.76Å; P601-Y683 PolarHBondContact O-OH 3.08Å
602	L	79.7	Confident	89.8	Confident	54 Å²	54	26.7 Å²	26.7	28%	0.283	16%	0.16	S	C	.	.	S	Bend	trans	-102.2	141.7	169.8	-74	160.7	0	0	0	108.9	K635 R663	L602-K635 HydrophobicContact CD1-CD 3.29Å; L602-R663 HydrophobicContact CD2-CB 4.01Å
603	P	80	Confident	89.4	Confident	118 Å²	118	30.5 Å²	30.5	77%	0.766	18%	0.178	S	C	*	.	S	Bend	cis	-82.5	160	8.2	33.9	-36.2	0	0	0	114.3
604	G	86.4	Confident	89	Confident	7 Å²	7	38 Å²	38	7%	0.072	21%	0.212	C	C	.	.			trans	155.2	114.1	173.6	0	0	0	0	0	111.5	R663	G604-R663 WeakPolarHBondContact O-CD 3.43Å; G604-R663 WeakPolarHBondContact O-CG 3.38Å; G604-R663 PolarHBondContact O-NE 3.41Å
605	D	92.4	Very high	89	Confident	17 Å²	17	38.8 Å²	38.8	9%	0.091	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	157.7	-179.7	-65.3	-27.5	0	0	0	111.3	K664 G680 A682 Y683	D605-K664 WeakPolarHBondContact CA-O 3.41Å; D605-K664 HydrophobicContact CB-CB 4.02Å; D605-K664 VanDerWaalsContact CG-CB 3.46Å; D605-K664 WeakPolarHBondContact OD1-CB 3.42Å; D605-K664 PolarHBondContact OD1-N 3.29Å; D605-K664 VanDerWaalsContact OD2-CE 3.24Å; D605-K664 WeakPolarHBondContact OD2-CE 3.3Å; D605-K664 IonicContact OD2-NZ 2.73Å; D605-G680 WeakPolarHBondContact CB-O 3.48Å; D605-G680 PolarHBondContact N-O 2.86Å; D605-A682 PolarHBondContact O-N 3.19Å; D605-Y683 PolarHBondContact O-N 3.16Å
606	I	94.1	Very high	89.1	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	132.5	-179.3	-60.7	159.7	0	0	0	109.2	V593 I596 V608 R663 K664 V665 V666 Y683 I685	V593-I606 HydrophobicContact CG1-CD1 4.24Å; V593-I606 HydrophobicContact CG2-CG2 4.39Å; I596-I606 HydrophobicContact CB-CD1 4.18Å; I596-I606 HydrophobicContact CG2-CD1 3.75Å; I596-I606 HydrophobicContact CG2-CG1 3.86Å; I606-V608 HydrophobicContact CG2-CG2 3.87Å; I606-R663 HydrophobicContact CD1-CG 4.44Å; I606-K664 PolarHBondContact N-O 3Å; I606-V665 HydrophobicContact CB-CG2 4.22Å; I606-V665 HydrophobicContact CD1-CG2 4.07Å; I606-V665 HydrophobicContact CG2-CG1 4.49Å; I606-V665 CarbonylContact O-C 3.45Å; I606-V665 WeakPolarHBondContact O-CA 3.42Å; I606-V666 PolarHBondContact O-N 2.81Å; I606-Y683 CarbonylContact C-O 3.43Å; I606-Y683 WeakPolarHBondContact CA-O 3.3Å; I606-Y683 HydrophobicContact CG1-CD2 4.17Å; I606-Y683 HydrophobicContact CG1-CG 4.46Å; I606-I685 HydrophobicContact CG2-CD1 3.99Å; I606-I685 HydrophobicContact CG2-CG1 4.29Å
607	L	94.7	Very high	89	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123	167.7	176.8	66.3	0	0	0	109.3	F609 V666 A668 A672 I681 Y683 V684 I685 R720	L607-F609 HydrophobicContact CD2-CE1 4.47Å; L607-F609 HydrophobicContact CD2-CE2 3.68Å; L607-F609 HydrophobicContact CD2-CZ 3.6Å; L607-F609 HydrophobicContact CG-CE2 4.1Å; L607-F609 HydrophobicContact CG-CZ 4.3Å; L607-V666 HydrophobicContact CD1-CB 3.92Å; L607-V666 HydrophobicContact CD1-CG1 3.93Å; L607-A668 HydrophobicContact CD1-CB 3.66Å; L607-A672 HydrophobicContact CD1-CB 3.89Å; L607-A672 HydrophobicContact CD2-CB 3.96Å; L607-I681 HydrophobicContact CB-CD1 3.8Å; L607-I681 HydrophobicContact CB-CG1 4.27Å; L607-I681 HydrophobicContact CB-CG2 3.84Å; L607-I681 HydrophobicContact CD1-CD1 4.39Å; L607-I681 HydrophobicContact CD2-CD1 3.82Å; L607-I681 HydrophobicContact CG-CD1 4.22Å; L607-Y683 PolarHBondContact N-O 2.84Å; L607-V684 HydrophobicContact CB-CG2 4.3Å; L607-V684 HydrophobicContact CD2-CG2 4.48Å; L607-V684 CarbonylContact O-C 3.55Å; L607-V684 WeakPolarHBondContact O-CA 3.09Å; L607-I685 PolarHBondContact O-N 3.07Å; L607-R720 HydrophobicContact CD2-CB 4.04Å; L607-R720 HydrophobicContact CD2-CG 4.22Å
608	V	95.9	Very high	89.1	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.4	176.8	-170.1	0	0	0	0	108.5	C589 V593 I606 L610 V665 V666 L667 A668 I685	C589-V608 HydrophobicContact CB-CG1 4.23Å; V593-V608 HydrophobicContact CG2-CG2 3.62Å; I606-V608 HydrophobicContact CG2-CG2 3.87Å; V608-L610 HydrophobicContact CG1-CD2 4.38Å; V608-L610 HydrophobicContact CG1-CG 4.18Å; V608-V665 HydrophobicContact CG2-CG1 4.06Å; V608-V666 PolarHBondContact N-O 3.07Å; V608-L667 HydrophobicContact CB-CD2 3.77Å; V608-L667 HydrophobicContact CG1-CD2 4.34Å; V608-L667 HydrophobicContact CG2-CD2 3.81Å; V608-A668 PolarHBondContact O-N 2.88Å; V608-I685 HydrophobicContact CG1-CB 4.29Å; V608-I685 HydrophobicContact CG1-CG2 4.43Å; V608-I685 HydrophobicContact CG2-CB 4.39Å; V608-I685 HydrophobicContact CG2-CD1 4.08Å
609	F	95.9	Very high	89.4	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	127.3	172.1	-73.3	-81.2	0	0	0	110.4	L607 A668 A672 E673 V684 I685 P687 R717 R720	L607-F609 HydrophobicContact CD2-CE1 4.47Å; L607-F609 HydrophobicContact CD2-CE2 3.68Å; L607-F609 HydrophobicContact CD2-CZ 3.6Å; L607-F609 HydrophobicContact CG-CE2 4.1Å; L607-F609 HydrophobicContact CG-CZ 4.3Å; F609-A668 CarbonylContact C-O 3.56Å; F609-A668 VanDerWaalsContact CA-O 3.31Å; F609-A668 WeakPolarHBondContact CA-O 3.36Å; F609-A672 HydrophobicContact CE1-CB 3.88Å; F609-A672 HydrophobicContact CZ-CB 4.19Å; F609-E673 HydrophobicContact CE1-CB 4.06Å; F609-V684 HydrophobicContact CD2-CG1 4Å; F609-V684 HydrophobicContact CE2-CG1 3.8Å; F609-I685 PolarHBondContact N-O 3.06Å; F609-I685 VanDerWaalsContact N-O 3.07Å; F609-P687 WeakPolarHBondContact O-CD 3.5Å; F609-P687 WeakPolarHBondContact O-CG 3.4Å; F609-R717 HydrophobicContact CD1-CG 4.21Å; F609-R717 HydrophobicContact CD2-CB 3.99Å; F609-R717 HydrophobicContact CD2-CG 3.85Å; F609-R717 HydrophobicContact CE1-CG 3.94Å; F609-R717 HydrophobicContact CE2-CB 3.54Å; F609-R717 HydrophobicContact CE2-CG 3.56Å; F609-R717 HydrophobicContact CG-CG 4.16Å; F609-R717 HydrophobicContact CZ-CB 3.98Å; F609-R717 HydrophobicContact CZ-CG 3.61Å; F609-R720 HydrophobicContact CZ-CG 4.32Å
610	L	95.1	Very high	89.6	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	20%	0.198	C	C	.	.			trans	-132	164.8	176.5	-67.7	173.9	0	0	0	110	V608 E615 I616 V619 L667 A668 T669	V608-L610 HydrophobicContact CG1-CD2 4.38Å; V608-L610 HydrophobicContact CG1-CG 4.18Å; L610-E615 HydrophobicContact CB-CB 4.49Å; L610-I616 HydrophobicContact CB-CD1 4.48Å; L610-I616 HydrophobicContact CB-CG1 3.75Å; L610-I616 HydrophobicContact CD1-CB 4.38Å; L610-I616 HydrophobicContact CD1-CG1 3.78Å; L610-I616 HydrophobicContact CG-CG1 4.39Å; L610-V619 HydrophobicContact CD1-CB 3.94Å; L610-V619 HydrophobicContact CD1-CG1 4.25Å; L610-V619 HydrophobicContact CD1-CG2 3.8Å; L610-V619 HydrophobicContact CD2-CG2 4.35Å; L610-L667 HydrophobicContact CD1-CB 4.4Å; L610-L667 HydrophobicContact CD1-CD2 4.39Å; L610-A668 PolarHBondContact N-O 3.34Å; L610-T669 WeakPolarHBondContact O-CA 3.48Å
611	T	92.1	Very high	89.7	Confident	6 Å²	6	38.5 Å²	38.5	4%	0.037	21%	0.212	C	C	.	.	S	Bend	trans	-85.1	-28.4	-167.5	80.2	0	0	0	0	113.3	E615 F689 K691 V706	T611-E615 WeakPolarHBondContact CB-OE2 3.29Å; T611-E615 WeakPolarHBondContact CG2-OE2 3.29Å; T611-E615 PolarHBondContact N-OE2 3.46Å; T611-E615 PolarHBondContact OG1-OE1 3.02Å; T611-E615 PolarHBondContact OG1-OE2 3.48Å; T611-F689 HydrophobicContact CG2-CB 3.7Å; T611-K691 WeakPolarHBondContact O-CD 3.31Å; T611-K691 WeakPolarHBondContact O-CG 3.28Å; T611-K691 WeakPolarHBondContact OG1-CE 3.06Å; T611-V706 HydrophobicContact CG2-CG1 3.84Å; T611-V706 HydrophobicContact CG2-CG2 4.34Å
612	G	88.3	Confident	90.1	Very high	8 Å²	8	35.3 Å²	35.3	8%	0.082	19%	0.194	C	C	.	.	S	Bend	trans	-172.5	-175.3	-178.1	0	0	0	0	0	114.1	E614 E615 I616	G612-E614 PolarHBondContact O-N 2.68Å; G612-E615 PolarHBondContact O-N 3.27Å; G612-I616 VanDerWaalsContact O-CG1 3.27Å; G612-I616 WeakPolarHBondContact O-CG1 3.43Å; G612-I616 PolarHBondContact O-N 2.82Å; G612-I616 VanDerWaalsContact O-N 3.1Å
613	Q	84.6	Confident	90.6	Very high	81 Å²	81	32.8 Å²	32.8	38%	0.379	18%	0.181	S	C	.	.	H	α-helix	trans	-57.8	-48.7	-174.4	176	177.5	-7.3	0	0	113.3	E615 I616 D617 Y643	Q613-E615 VanDerWaalsContact C-N 3.32Å; Q613-E615 PolarHBondContact O-N 3.38Å; Q613-I616 PolarHBondContact O-N 3.39Å; Q613-I616 VanDerWaalsContact O-N 3.1Å; Q613-D617 WeakPolarHBondContact CG-OD2 3.28Å; Q613-D617 PolarHBondContact NE2-OD2 3.36Å; Q613-D617 WeakPolarHBondContact O-CB 3.31Å; Q613-D617 PolarHBondContact O-N 3.31Å; Q613-Y643 HydrophobicContact CB-CD1 4.39Å; Q613-Y643 HydrophobicContact CB-CD2 4.25Å; Q613-Y643 HydrophobicContact CB-CE1 4.37Å; Q613-Y643 HydrophobicContact CB-CE2 4.27Å; Q613-Y643 HydrophobicContact CB-CG 4.31Å; Q613-Y643 HydrophobicContact CG-CD1 4.46Å; Q613-Y643 HydrophobicContact CG-CD2 4.37Å; Q613-Y643 HydrophobicContact CG-CE1 3.96Å; Q613-Y643 HydrophobicContact CG-CE2 3.88Å
614	E	85.1	Confident	91	Very high	156 Å²	156	28.9 Å²	28.9	73%	0.729	16%	0.159	S	C	*	.	H	α-helix	trans	-58.3	-43.2	-175.9	-66.7	173.4	174.9	0	0	112.4	G612 A618	G612-E614 PolarHBondContact O-N 2.68Å; E614-A618 VanDerWaalsContact O-CB 3.31Å; E614-A618 WeakPolarHBondContact O-CB 3.43Å; E614-A618 PolarHBondContact O-N 2.74Å
615	E	90.8	Very high	91.1	Very high	24 Å²	24	32.9 Å²	32.9	11%	0.112	18%	0.176	C	C	.	.	H	α-helix	trans	-67.5	-42.3	175.2	-66.7	-178.6	-171.1	0	0	111.9	Y585 I586 L610 T611 G612 Q613 A618 V619	Y585-E615 PolarHBondContact OH-OE1 3.29Å; I586-E615 HydrophobicContact CD1-CG 4.04Å; L610-E615 HydrophobicContact CB-CB 4.49Å; T611-E615 WeakPolarHBondContact CB-OE2 3.29Å; T611-E615 WeakPolarHBondContact CG2-OE2 3.29Å; T611-E615 PolarHBondContact N-OE2 3.46Å; T611-E615 PolarHBondContact OG1-OE1 3.02Å; T611-E615 PolarHBondContact OG1-OE2 3.48Å; G612-E615 PolarHBondContact O-N 3.27Å; Q613-E615 VanDerWaalsContact C-N 3.32Å; Q613-E615 PolarHBondContact O-N 3.38Å; E615-A618 PolarHBondContact O-N 3.1Å; E615-V619 WeakPolarHBondContact O-CB 3.38Å; E615-V619 VanDerWaalsContact O-CG2 3.28Å; E615-V619 WeakPolarHBondContact O-CG2 3.46Å; E615-V619 PolarHBondContact O-N 3.44Å
616	I	92	Very high	90.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.1	-47.7	179.1	-71.9	167.6	0	0	0	110.5	L610 G612 Q613 V619 Q620 P641 Y643 L667 T669	L610-I616 HydrophobicContact CB-CD1 4.48Å; L610-I616 HydrophobicContact CB-CG1 3.75Å; L610-I616 HydrophobicContact CD1-CB 4.38Å; L610-I616 HydrophobicContact CD1-CG1 3.78Å; L610-I616 HydrophobicContact CG-CG1 4.39Å; G612-I616 VanDerWaalsContact O-CG1 3.27Å; G612-I616 WeakPolarHBondContact O-CG1 3.43Å; G612-I616 PolarHBondContact O-N 2.82Å; G612-I616 VanDerWaalsContact O-N 3.1Å; Q613-I616 PolarHBondContact O-N 3.39Å; Q613-I616 VanDerWaalsContact O-N 3.1Å; I616-V619 PolarHBondContact O-N 3.2Å; I616-Q620 VanDerWaalsContact O-CB 3.31Å; I616-Q620 WeakPolarHBondContact O-CB 3.34Å; I616-Q620 PolarHBondContact O-N 3.12Å; I616-P641 HydrophobicContact CG2-CB 3.49Å; I616-P641 VanDerWaalsContact CG2-CB 3.49Å; I616-Y643 HydrophobicContact CB-CD1 4.32Å; I616-Y643 HydrophobicContact CD1-CD1 3.79Å; I616-Y643 HydrophobicContact CD1-CG 4.43Å; I616-Y643 HydrophobicContact CG2-CD1 4.02Å; I616-Y643 HydrophobicContact CG2-CE1 4.06Å; I616-L667 HydrophobicContact CG1-CB 4.48Å; I616-L667 HydrophobicContact CG2-CB 3.88Å; I616-L667 HydrophobicContact CG2-CD1 4.37Å; I616-T669 HydrophobicContact CD1-CG2 3.69Å
617	D	88.6	Confident	90.4	Very high	32 Å²	32	37.3 Å²	37.3	17%	0.171	20%	0.196	C	C	.	.	H	α-helix	trans	-65.6	-40.8	-180	-67.7	-15	0	0	0	110.4	Q613 Q620 E621	Q613-D617 WeakPolarHBondContact CG-OD2 3.28Å; Q613-D617 PolarHBondContact NE2-OD2 3.36Å; Q613-D617 WeakPolarHBondContact O-CB 3.31Å; Q613-D617 PolarHBondContact O-N 3.31Å; D617-Q620 PolarHBondContact O-N 3.32Å; D617-E621 WeakPolarHBondContact O-CB 3.25Å; D617-E621 WeakPolarHBondContact O-CG 3.38Å; D617-E621 PolarHBondContact O-N 3.21Å
618	A	90.1	Very high	89.9	Confident	41 Å²	41	46.5 Å²	46.5	34%	0.339	23%	0.23	S	C	.	.	H	α-helix	trans	-62.9	-44.6	175.7	0	0	0	0	0	112.7	E614 E615 E621 A622	E614-A618 VanDerWaalsContact O-CB 3.31Å; E614-A618 WeakPolarHBondContact O-CB 3.43Å; E614-A618 PolarHBondContact O-N 2.74Å; E615-A618 PolarHBondContact O-N 3.1Å; A618-E621 PolarHBondContact O-N 3.15Å; A618-A622 VanDerWaalsContact O-CB 3.32Å; A618-A622 WeakPolarHBondContact O-CB 3.48Å; A618-A622 PolarHBondContact O-N 2.88Å
619	V	93.4	Very high	89.3	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.006	26%	0.263	C	S	.	.	H	α-helix	trans	-65.7	-39.4	176.3	171.2	0	0	0	0	111	I586 I590 L610 E615 I616 A622 L623 L667	I586-V619 HydrophobicContact CG2-CG2 3.54Å; I590-V619 HydrophobicContact CD1-CG2 4.43Å; I590-V619 HydrophobicContact CG1-CG1 4.01Å; I590-V619 HydrophobicContact CG1-CG2 4.33Å; L610-V619 HydrophobicContact CD1-CB 3.94Å; L610-V619 HydrophobicContact CD1-CG1 4.25Å; L610-V619 HydrophobicContact CD1-CG2 3.8Å; L610-V619 HydrophobicContact CD2-CG2 4.35Å; E615-V619 WeakPolarHBondContact O-CB 3.38Å; E615-V619 VanDerWaalsContact O-CG2 3.28Å; E615-V619 WeakPolarHBondContact O-CG2 3.46Å; E615-V619 PolarHBondContact O-N 3.44Å; I616-V619 PolarHBondContact O-N 3.2Å; V619-A622 PolarHBondContact O-N 2.83Å; V619-L623 HydrophobicContact CG1-CD1 3.71Å; V619-L623 HydrophobicContact CG1-CG 4.18Å; V619-L623 VanDerWaalsContact O-CB 3.29Å; V619-L623 WeakPolarHBondContact O-CB 3.43Å; V619-L623 VanDerWaalsContact O-CG 3.29Å; V619-L623 WeakPolarHBondContact O-CG 3.35Å; V619-L623 PolarHBondContact O-N 2.97Å; V619-L667 HydrophobicContact CB-CD1 4.19Å; V619-L667 HydrophobicContact CG1-CD1 3.84Å; V619-L667 HydrophobicContact CG1-CD2 3.84Å
620	Q	91.8	Very high	88.6	Confident	66 Å²	66	57.4 Å²	57.4	31%	0.308	28%	0.275	S	S	.	.	H	α-helix	trans	-62.5	-47.8	176.6	-179.3	178.1	-38.8	0	0	111.6	I616 D617 L623 A624 V639 P641 L667	I616-Q620 VanDerWaalsContact O-CB 3.31Å; I616-Q620 WeakPolarHBondContact O-CB 3.34Å; I616-Q620 PolarHBondContact O-N 3.12Å; D617-Q620 PolarHBondContact O-N 3.32Å; Q620-L623 PolarHBondContact O-N 3.32Å; Q620-A624 VanDerWaalsContact O-CB 3.28Å; Q620-A624 WeakPolarHBondContact O-CB 3.15Å; Q620-A624 PolarHBondContact O-N 2.91Å; Q620-V639 HydrophobicContact CB-CG1 4.29Å; Q620-V639 HydrophobicContact CG-CG1 3.95Å; Q620-P641 VanDerWaalsContact OE1-CG 3.28Å; Q620-L667 HydrophobicContact CB-CD1 3.88Å
621	E	89.6	Confident	87.7	Confident	105 Å²	105	59.2 Å²	59.2	49%	0.491	29%	0.293	S	S	.	.	H	α-helix	trans	-59.6	-47.7	176.6	-74.1	171.4	-161.1	0	0	110.7	D617 A618 A624 E625 K853	D617-E621 WeakPolarHBondContact O-CB 3.25Å; D617-E621 WeakPolarHBondContact O-CG 3.38Å; D617-E621 PolarHBondContact O-N 3.21Å; A618-E621 PolarHBondContact O-N 3.15Å; E621-A624 PolarHBondContact O-N 3.36Å; E621-E625 WeakPolarHBondContact O-CB 3.44Å; E621-E625 PolarHBondContact O-N 3.23Å; E621-K853 IonicContact OE1-NZ 2.88Å; E621-K853 PolarHBondContact OE1-NZ 3.35Å; E621-K853 IonicContact OE2-NZ 2.79Å
622	A	91.3	Very high	86.9	Confident	25 Å²	25	66 Å²	66	21%	0.207	34%	0.335	C	S	.	.	H	α-helix	trans	-65.5	-41.3	180	0	0	0	0	0	113.1	I590 A618 V619 E625 R626	I590-A622 HydrophobicContact CD1-CB 3.61Å; A618-A622 VanDerWaalsContact O-CB 3.32Å; A618-A622 WeakPolarHBondContact O-CB 3.48Å; A618-A622 PolarHBondContact O-N 2.88Å; V619-A622 PolarHBondContact O-N 2.83Å; A622-E625 PolarHBondContact O-N 3.09Å; A622-R626 WeakPolarHBondContact O-CB 3.17Å; A622-R626 WeakPolarHBondContact O-CG 3.25Å; A622-R626 PolarHBondContact O-N 3.27Å
623	L	91.4	Very high	86.2	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-64.1	-45.2	174	-77.8	170.9	0	0	0	111	I590 V593 L594 V619 Q620 E625 R626 C627 V639 V665 L667	I590-L623 HydrophobicContact CG2-CD2 3.87Å; I590-L623 HydrophobicContact CG2-CG 4.37Å; V593-L623 HydrophobicContact CB-CD2 4.08Å; V593-L623 HydrophobicContact CG1-CD1 4.28Å; V593-L623 HydrophobicContact CG1-CD2 3.79Å; L594-L623 HydrophobicContact CD2-CD2 4.34Å; L594-L623 HydrophobicContact CG-CD2 4.29Å; V619-L623 HydrophobicContact CG1-CD1 3.71Å; V619-L623 HydrophobicContact CG1-CG 4.18Å; V619-L623 VanDerWaalsContact O-CB 3.29Å; V619-L623 WeakPolarHBondContact O-CB 3.43Å; V619-L623 VanDerWaalsContact O-CG 3.29Å; V619-L623 WeakPolarHBondContact O-CG 3.35Å; V619-L623 PolarHBondContact O-N 2.97Å; Q620-L623 PolarHBondContact O-N 3.32Å; L623-E625 VanDerWaalsContact C-N 3.27Å; L623-E625 PolarHBondContact O-N 3.33Å; L623-R626 PolarHBondContact O-N 3.4Å; L623-C627 VanDerWaalsContact O-CB 3.24Å; L623-C627 WeakPolarHBondContact O-CB 3.01Å; L623-C627 PolarHBondContact O-N 3.19Å; L623-C627 PolarHBondContact O-SG 3.42Å; L623-V639 HydrophobicContact CB-CG2 4.24Å; L623-V639 HydrophobicContact CD1-CG1 4.42Å; L623-V639 HydrophobicContact CD1-CG2 4.29Å; L623-V665 HydrophobicContact CD1-CG1 4.47Å; L623-L667 HydrophobicContact CD1-CD1 4.49Å; L623-L667 HydrophobicContact CD1-CD2 4.27Å
624	A	88.2	Confident	85.8	Confident	37 Å²	37	71.4 Å²	71.4	31%	0.306	36%	0.356	S	S	.	.	H	α-helix	trans	-62.8	-35.1	178.2	0	0	0	0	0	112.1	Q620 E621 R628	Q620-A624 VanDerWaalsContact O-CB 3.28Å; Q620-A624 WeakPolarHBondContact O-CB 3.15Å; Q620-A624 PolarHBondContact O-N 2.91Å; E621-A624 PolarHBondContact O-N 3.36Å; A624-R628 WeakPolarHBondContact O-CB 3.31Å; A624-R628 VanDerWaalsContact O-CG 3.28Å; A624-R628 WeakPolarHBondContact O-CG 3.33Å; A624-R628 PolarHBondContact O-N 3.25Å; A624-R628 PolarHBondContact O-NE 3.44Å
625	E	88.1	Confident	85.7	Confident	91 Å²	91	70.3 Å²	70.3	43%	0.425	35%	0.349	S	S	.	.	H	α-helix	trans	-70.4	-49.6	173.8	-169.2	-179.2	-176.3	0	0	112.1	E621 A622 L623 C627 R628 R629	E621-E625 WeakPolarHBondContact O-CB 3.44Å; E621-E625 PolarHBondContact O-N 3.23Å; A622-E625 PolarHBondContact O-N 3.09Å; L623-E625 VanDerWaalsContact C-N 3.27Å; L623-E625 PolarHBondContact O-N 3.33Å; E625-C627 PolarHBondContact O-N 3.25Å; E625-R628 WeakPolarHBondContact O-CB 3.14Å; E625-R628 PolarHBondContact O-N 3.32Å; E625-R629 VanDerWaalsContact CD-NH2 3.33Å; E625-R629 WeakPolarHBondContact O-CG 3.39Å; E625-R629 PolarHBondContact O-N 3.23Å; E625-R629 IonicContact OE1-CZ 2.79Å; E625-R629 IonicContact OE1-NE 3.67Å; E625-R629 IonicContact OE1-NH2 3.53Å; E625-R629 PolarHBondContact OE1-NH2 2.87Å; E625-R629 IonicContact OE2-NH2 3.41Å
626	R	86.5	Confident	85.5	Confident	78 Å²	78	75.2 Å²	75.2	29%	0.294	37%	0.371	S	S	.	.	H	α-helix	trans	-63.2	-40.2	179.2	-71.4	-173.8	-173.8	-174.3	4.4	112.2	D587 L594 A622 L623 R628 R629 I630	D587-R626 IonicContact OD1-CZ 3.7Å; D587-R626 IonicContact OD1-NH1 3.8Å; D587-R626 PolarHBondContact OD1-NH1 3.1Å; D587-R626 IonicContact OD1-NH2 2.84Å; D587-R626 PolarHBondContact OD1-NH2 3.2Å; L594-R626 HydrophobicContact CD1-CB 4.01Å; L594-R626 HydrophobicContact CD1-CG 4.46Å; A622-R626 WeakPolarHBondContact O-CB 3.17Å; A622-R626 WeakPolarHBondContact O-CG 3.25Å; A622-R626 PolarHBondContact O-N 3.27Å; L623-R626 PolarHBondContact O-N 3.4Å; R626-R628 VanDerWaalsContact C-N 3.34Å; R626-R628 PolarHBondContact O-N 3.13Å; R626-R629 PolarHBondContact O-N 3.43Å; R626-I630 WeakPolarHBondContact O-CG1 3.39Å; R626-I630 PolarHBondContact O-N 3.43Å
627	C	85.6	Confident	85.4	Confident	32 Å²	32	76.4 Å²	76.4	22%	0.216	38%	0.378	C	S	.	.	H	α-helix	trans	-61.9	-40.6	173.9	-72.5	0	0	0	0	112	L623 E625 I630 G631 L637	L623-C627 VanDerWaalsContact O-CB 3.24Å; L623-C627 WeakPolarHBondContact O-CB 3.01Å; L623-C627 PolarHBondContact O-N 3.19Å; L623-C627 PolarHBondContact O-SG 3.42Å; E625-C627 PolarHBondContact O-N 3.25Å; C627-I630 PolarHBondContact O-N 2.65Å; C627-G631 PolarHBondContact O-N 2.93Å; C627-G631 VanDerWaalsContact O-N 3.15Å; C627-L637 VanDerWaalsContact SG-CD2 3.53Å
628	R	84.5	Confident	85.4	Confident	192 Å²	192	76.8 Å²	76.8	73%	0.725	38%	0.381	S	S	*	.	H	α-helix	trans	-62.6	-40.5	174	-81.6	-177.2	-82.9	175.8	-5.7	112.2	A624 E625 R626 G631	A624-R628 WeakPolarHBondContact O-CB 3.31Å; A624-R628 VanDerWaalsContact O-CG 3.28Å; A624-R628 WeakPolarHBondContact O-CG 3.33Å; A624-R628 PolarHBondContact O-N 3.25Å; A624-R628 PolarHBondContact O-NE 3.44Å; E625-R628 WeakPolarHBondContact O-CB 3.14Å; E625-R628 PolarHBondContact O-N 3.32Å; R626-R628 VanDerWaalsContact C-N 3.34Å; R626-R628 PolarHBondContact O-N 3.13Å; R628-G631 PolarHBondContact O-N 3.33Å
629	R	83.5	Confident	85.5	Confident	181 Å²	181	76.3 Å²	76.3	68%	0.683	37%	0.374	S	S	*	.	H	α-helix	trans	-66.3	-39.7	178.5	-68.6	179	-169.7	-175.4	2.8	113.1	E625 R626 G631	E625-R629 VanDerWaalsContact CD-NH2 3.33Å; E625-R629 WeakPolarHBondContact O-CG 3.39Å; E625-R629 PolarHBondContact O-N 3.23Å; E625-R629 IonicContact OE1-CZ 2.79Å; E625-R629 IonicContact OE1-NE 3.67Å; E625-R629 IonicContact OE1-NH2 3.53Å; E625-R629 PolarHBondContact OE1-NH2 2.87Å; E625-R629 IonicContact OE2-NH2 3.41Å; R626-R629 PolarHBondContact O-N 3.43Å; R629-G631 VanDerWaalsContact C-N 3.35Å
630	I	80.8	Confident	85.5	Confident	49 Å²	49	77 Å²	77	25%	0.251	38%	0.378	S	S	.	.	H	α-helix	trans	-75.1	-27.4	-179.2	-64.5	162.6	0	0	0	111.7	L594 R626 C627 K633 M634	L594-I630 HydrophobicContact CD2-CD1 4.45Å; R626-I630 WeakPolarHBondContact O-CG1 3.39Å; R626-I630 PolarHBondContact O-N 3.43Å; C627-I630 PolarHBondContact O-N 2.65Å; I630-K633 HydrophobicContact CG2-CB 4.07Å; I630-M634 HydrophobicContact CB-CE 3.6Å; I630-M634 HydrophobicContact CD1-CE 3.31Å; I630-M634 HydrophobicContact CD1-SD 3.92Å; I630-M634 HydrophobicContact CG1-CE 4.03Å; I630-M634 HydrophobicContact CG2-CB 4.29Å; I630-M634 HydrophobicContact CG2-CE 3.52Å; I630-M634 HydrophobicContact CG2-CG 3.59Å; I630-M634 HydrophobicContact CG2-SD 3.85Å
631	G	75.6	Confident	85.5	Confident	39 Å²	39	74.9 Å²	74.9	40%	0.402	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	64	-139.1	171	0	0	0	0	0	113.7	C627 R628 R629 K633 M634	C627-G631 PolarHBondContact O-N 2.93Å; C627-G631 VanDerWaalsContact O-N 3.15Å; R628-G631 PolarHBondContact O-N 3.33Å; R629-G631 VanDerWaalsContact C-N 3.35Å; G631-K633 PolarHBondContact O-N 3.46Å; G631-K633 VanDerWaalsContact O-N 3.1Å; G631-M634 PolarHBondContact O-N 3.45Å
632	T	76.3	Confident	85.4	Confident	147 Å²	147	70.1 Å²	70.1	90%	0.902	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-70.4	-4.6	-173.1	56	0	0	0	0	115	M634	T632-M634 VanDerWaalsContact C-N 3.26Å; T632-M634 PolarHBondContact O-N 2.96Å
633	K	73.3	Confident	85.1	Confident	173 Å²	173	70.2 Å²	70.2	75%	0.752	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-70.6	-23.6	178.7	-67.5	-174.3	177.1	-175.3	0	112.4	I630 G631	I630-K633 HydrophobicContact CG2-CB 4.07Å; G631-K633 PolarHBondContact O-N 3.46Å; G631-K633 VanDerWaalsContact O-N 3.1Å
634	M	76.3	Confident	84.2	Confident	30 Å²	30	73.8 Å²	73.8	15%	0.148	37%	0.372	C	S	.	.	S	Bend	trans	-109.5	155.3	176.7	-70.6	-171	-47.9	0	0	111.7	L594 V598 I630 G631 T632	L594-M634 HydrophobicContact CD2-CE 4.1Å; V598-M634 HydrophobicContact CG2-CG 3.91Å; V598-M634 HydrophobicContact CG2-SD 3.43Å; V598-M634 WeakPolarHBondContact CG2-SD 3.31Å; I630-M634 HydrophobicContact CB-CE 3.6Å; I630-M634 HydrophobicContact CD1-CE 3.31Å; I630-M634 HydrophobicContact CD1-SD 3.92Å; I630-M634 HydrophobicContact CG1-CE 4.03Å; I630-M634 HydrophobicContact CG2-CB 4.29Å; I630-M634 HydrophobicContact CG2-CE 3.52Å; I630-M634 HydrophobicContact CG2-CG 3.59Å; I630-M634 HydrophobicContact CG2-SD 3.85Å; G631-M634 PolarHBondContact O-N 3.45Å; T632-M634 VanDerWaalsContact C-N 3.26Å; T632-M634 PolarHBondContact O-N 2.96Å
635	K	81.4	Confident	83.4	Confident	134 Å²	134	76.2 Å²	76.2	58%	0.583	38%	0.38	S	S	*	.			trans	-70.1	162.8	169	-66.4	175.5	-177.4	172.8	0	109.9	H597 L602 L637	H597-K635 PolarHBondContact NE2-O 2.93Å; L602-K635 HydrophobicContact CD1-CD 3.29Å; K635-L637 PolarHBondContact O-N 2.99Å
636	E	87.2	Confident	82.6	Confident	126 Å²	126	72.3 Å²	72.3	59%	0.589	36%	0.362	S	S	*	.			trans	-62	130.6	-179.3	-170.4	175.3	-177.3	0	0	111.3	V638 A662 R663	E636-V638 HydrophobicContact CG-CG2 4.26Å; E636-A662 HydrophobicContact CB-CB 4.06Å; E636-A662 HydrophobicContact CG-CB 4.43Å; E636-A662 WeakPolarHBondContact O-CA 3.3Å; E636-R663 PolarHBondContact O-N 3.5Å
637	L	89.2	Confident	81.6	Confident	26 Å²	26	70.8 Å²	70.8	14%	0.136	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	117.3	177.2	-169.7	73.3	0	0	0	108	V593 H597 C627 K635 V639 R663 V665	V593-L637 HydrophobicContact CG1-CD2 4.25Å; H597-L637 HydrophobicContact CB-CD1 4.34Å; C627-L637 VanDerWaalsContact SG-CD2 3.53Å; K635-L637 PolarHBondContact O-N 2.99Å; L637-V639 HydrophobicContact CD2-CG2 4.43Å; L637-R663 HydrophobicContact CD1-CB 4.08Å; L637-R663 HydrophobicContact CD1-CG 4.31Å; L637-V665 HydrophobicContact CD1-CG2 3.31Å; L637-V665 HydrophobicContact CD2-CG2 4.01Å; L637-V665 HydrophobicContact CG-CG2 3.73Å
638	V	90	Very high	80.7	Confident	40 Å²	40	71 Å²	71	24%	0.242	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	115	178.7	-179.6	0	0	0	0	109	E636 V640 M658 R663 K664 V665	E636-V638 HydrophobicContact CG-CG2 4.26Å; V638-V640 HydrophobicContact CG1-CG2 4.14Å; V638-M658 HydrophobicContact CB-CE 3.6Å; V638-M658 HydrophobicContact CB-SD 4.28Å; V638-M658 HydrophobicContact CG1-CE 3.93Å; V638-M658 HydrophobicContact CG1-SD 4.46Å; V638-M658 HydrophobicContact CG2-CE 3.44Å; V638-M658 VanDerWaalsContact CG2-CE 3.44Å; V638-R663 PolarHBondContact N-O 2.67Å; V638-K664 CarbonylContact O-C 3.51Å; V638-K664 WeakPolarHBondContact O-CA 3.29Å; V638-V665 PolarHBondContact O-N 2.84Å
639	V	92.6	Very high	80	Confident	31 Å²	31	66.9 Å²	66.9	19%	0.188	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	125.8	-178.6	-173.7	0	0	0	0	109.3	Q620 L623 L637 V665 L667	Q620-V639 HydrophobicContact CB-CG1 4.29Å; Q620-V639 HydrophobicContact CG-CG1 3.95Å; L623-V639 HydrophobicContact CB-CG2 4.24Å; L623-V639 HydrophobicContact CD1-CG1 4.42Å; L623-V639 HydrophobicContact CD1-CG2 4.29Å; L637-V639 HydrophobicContact CD2-CG2 4.43Å; V639-V665 CarbonylContact C-O 3.56Å; V639-V665 WeakPolarHBondContact CA-O 3.4Å; V639-V665 HydrophobicContact CG2-CB 4.46Å; V639-L667 HydrophobicContact CG1-CD1 3.56Å; V639-L667 HydrophobicContact CG1-CG 3.91Å
640	V	92	Very high	79.6	Confident	15 Å²	15	61 Å²	61	9%	0.091	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	118.4	-179.3	-171.4	0	0	0	0	109.7	V638 K653 I654 K664 V665 V666 L667	V638-V640 HydrophobicContact CG1-CG2 4.14Å; V640-K653 HydrophobicContact CG1-CB 4.23Å; V640-I654 HydrophobicContact CG1-CG2 3.78Å; V640-K664 HydrophobicContact CG2-CD 4.46Å; V640-K664 HydrophobicContact CG2-CG 4.26Å; V640-V665 PolarHBondContact N-O 2.88Å; V640-V666 VanDerWaalsContact O-CA 3.31Å; V640-V666 WeakPolarHBondContact O-CA 3.31Å; V640-L667 PolarHBondContact O-N 3.07Å
641	P	91.6	Very high	79.4	Confident	21 Å²	21	60.2 Å²	60.2	14%	0.136	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	153.3	177.4	33.8	-36.1	0	0	0	112.1	I616 Q620 Y643 L646 L667	I616-P641 HydrophobicContact CG2-CB 3.49Å; I616-P641 VanDerWaalsContact CG2-CB 3.49Å; Q620-P641 VanDerWaalsContact OE1-CG 3.28Å; P641-Y643 HydrophobicContact CB-CD1 4.44Å; P641-Y643 HydrophobicContact CB-CE1 4.09Å; P641-L646 HydrophobicContact CG-CD2 4.49Å; P641-L646 WeakPolarHBondContact O-CD2 3.48Å; P641-L667 CarbonylContact C-O 3.55Å; P641-L667 WeakPolarHBondContact CA-O 3.14Å
642	I	88.4	Confident	79.5	Confident	6 Å²	6	60.7 Å²	60.7	3%	0.031	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	119	166.9	-179.2	162.6	0	0	0	112.3	I654 V666 L667 A668 T669 I671	I642-I654 HydrophobicContact CB-CG2 4.18Å; I642-I654 HydrophobicContact CD1-CD1 3.39Å; I642-I654 HydrophobicContact CD1-CG2 4.32Å; I642-V666 HydrophobicContact CG2-CG1 3.68Å; I642-L667 PolarHBondContact N-O 3.1Å; I642-A668 HydrophobicContact CG2-CB 3.35Å; I642-A668 WeakPolarHBondContact O-CA 3.38Å; I642-T669 PolarHBondContact O-N 3.36Å; I642-I671 HydrophobicContact CD1-CG2 4.27Å; I642-I671 HydrophobicContact CG1-CG2 4.48Å
643	Y	84.2	Confident	79.8	Confident	27 Å²	27	58.4 Å²	58.4	11%	0.106	31%	0.312	C	S	.	.			trans	-149.8	166.4	174.3	48.2	-101.7	0	0	0	110.4	Q613 I616 P641 N645 L646	Q613-Y643 HydrophobicContact CB-CD1 4.39Å; Q613-Y643 HydrophobicContact CB-CD2 4.25Å; Q613-Y643 HydrophobicContact CB-CE1 4.37Å; Q613-Y643 HydrophobicContact CB-CE2 4.27Å; Q613-Y643 HydrophobicContact CB-CG 4.31Å; Q613-Y643 HydrophobicContact CG-CD1 4.46Å; Q613-Y643 HydrophobicContact CG-CD2 4.37Å; Q613-Y643 HydrophobicContact CG-CE1 3.96Å; Q613-Y643 HydrophobicContact CG-CE2 3.88Å; I616-Y643 HydrophobicContact CB-CD1 4.32Å; I616-Y643 HydrophobicContact CD1-CD1 3.79Å; I616-Y643 HydrophobicContact CD1-CG 4.43Å; I616-Y643 HydrophobicContact CG2-CD1 4.02Å; I616-Y643 HydrophobicContact CG2-CE1 4.06Å; P641-Y643 HydrophobicContact CB-CD1 4.44Å; P641-Y643 HydrophobicContact CB-CE1 4.09Å; Y643-N645 VanDerWaalsContact C-N 3.32Å; Y643-N645 HydrophobicContact CD2-CB 4.22Å; Y643-N645 HydrophobicContact CE2-CB 4.37Å; Y643-N645 PolarHBondContact O-N 3.43Å; Y643-L646 HydrophobicContact CD2-CB 3.89Å; Y643-L646 HydrophobicContact CE1-CD1 4.3Å; Y643-L646 HydrophobicContact CE2-CB 3.84Å; Y643-L646 HydrophobicContact CE2-CD1 4.05Å; Y643-L646 HydrophobicContact CG-CB 4.41Å; Y643-L646 VanDerWaalsContact O-CB 3.25Å; Y643-L646 WeakPolarHBondContact O-CB 3.4Å; Y643-L646 PolarHBondContact O-N 2.68Å
644	A	74.1	Confident	80.3	Confident	74 Å²	74	50.3 Å²	50.3	61%	0.612	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-38.8	-168.9	0	0	0	0	0	114.1	L646 I671	A644-L646 VanDerWaalsContact C-N 3.29Å; A644-L646 PolarHBondContact O-N 2.78Å; A644-I671 HydrophobicContact CB-CD1 4.07Å; A644-I671 VanDerWaalsContact N-CD1 3.32Å
645	N	69.6	Low	80.7	Confident	88 Å²	88	54.2 Å²	54.2	47%	0.471	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-2.4	-178.5	-67.4	-8.3	0	0	0	113.9	Y643	Y643-N645 VanDerWaalsContact C-N 3.32Å; Y643-N645 HydrophobicContact CD2-CB 4.22Å; Y643-N645 HydrophobicContact CE2-CB 4.37Å; Y643-N645 PolarHBondContact O-N 3.43Å
646	L	71.5	Confident	80.7	Confident	9 Å²	9	53.2 Å²	53.2	5%	0.047	29%	0.29	C	S	.	.	S	Bend	trans	-70.8	136.4	-178.6	-167.8	71.9	0	0	0	110.7	P641 Y643 A644 L650 Q651	P641-L646 HydrophobicContact CG-CD2 4.49Å; P641-L646 WeakPolarHBondContact O-CD2 3.48Å; Y643-L646 HydrophobicContact CD2-CB 3.89Å; Y643-L646 HydrophobicContact CE1-CD1 4.3Å; Y643-L646 HydrophobicContact CE2-CB 3.84Å; Y643-L646 HydrophobicContact CE2-CD1 4.05Å; Y643-L646 HydrophobicContact CG-CB 4.41Å; Y643-L646 VanDerWaalsContact O-CB 3.25Å; Y643-L646 WeakPolarHBondContact O-CB 3.4Å; Y643-L646 PolarHBondContact O-N 2.68Å; A644-L646 VanDerWaalsContact C-N 3.29Å; A644-L646 PolarHBondContact O-N 2.78Å; L646-L650 HydrophobicContact CD1-CB 4.06Å; L646-L650 HydrophobicContact CD1-CD1 3.86Å; L646-L650 HydrophobicContact CD2-CB 3.86Å; L646-L650 HydrophobicContact CG-CB 3.79Å; L646-L650 HydrophobicContact CG-CD1 4.44Å; L646-Q651 HydrophobicContact CB-CG 4Å; L646-Q651 HydrophobicContact CD2-CG 3.98Å; L646-Q651 HydrophobicContact CG-CG 4.23Å; L646-Q651 PolarHBondContact O-NE2 3.05Å
647	P	66.2	Low	80.4	Confident	46 Å²	46	52.9 Å²	52.9	30%	0.299	30%	0.299	S	S	.	.			trans	-53.7	142.6	171.4	-27	35.1	0	0	0	112.6	D649 L650 Q651	P647-D649 VanDerWaalsContact C-N 3.31Å; P647-D649 WeakPolarHBondContact CB-OD1 3.43Å; P647-D649 PolarHBondContact O-N 2.82Å; P647-L650 HydrophobicContact CB-CG 4.49Å; P647-L650 HydrophobicContact CG-CD1 4.33Å; P647-L650 WeakPolarHBondContact O-CB 3.3Å; P647-L650 PolarHBondContact O-N 3.3Å; P647-L650 VanDerWaalsContact O-N 3.08Å; P647-Q651 WeakPolarHBondContact O-CG 3.37Å; P647-Q651 PolarHBondContact O-N 3.16Å
648	S	66.8	Low	80	Confident	37 Å²	37	54.2 Å²	54.2	26%	0.259	31%	0.305	S	S	.	.	H	α-helix	trans	-70.6	-26	-172.9	-79.6	0	0	0	0	113.8	L650 Q651 A652 R901	S648-L650 VanDerWaalsContact C-N 3.26Å; S648-Q651 CarbonylContact O-C 3.59Å; S648-Q651 PolarHBondContact O-N 2.78Å; S648-A652 VanDerWaalsContact O-CB 3.28Å; S648-A652 WeakPolarHBondContact O-CB 3.43Å; S648-A652 PolarHBondContact O-N 3.16Å; S648-R901 PolarHBondContact OG-NH1 3.41Å; S648-R901 PolarHBondContact OG-NH2 2.93Å
649	D	69.6	Low	79.4	Confident	106 Å²	106	55.5 Å²	55.5	57%	0.567	32%	0.315	S	S	*	.	H	α-helix	trans	-58.4	-42.6	169.9	52.3	-61.6	0	0	0	110.4	P647 A652 K653	P647-D649 VanDerWaalsContact C-N 3.31Å; P647-D649 WeakPolarHBondContact CB-OD1 3.43Å; P647-D649 PolarHBondContact O-N 2.82Å; D649-A652 PolarHBondContact O-N 3.5Å; D649-K653 PolarHBondContact O-N 3.03Å
650	L	74.6	Confident	78.7	Confident	58 Å²	58	60.8 Å²	60.8	30%	0.304	35%	0.349	S	S	.	.	H	α-helix	trans	-72.6	-36.6	172.8	-63.2	-176.9	0	0	0	112.8	L646 P647 S648 A652 K653	L646-L650 HydrophobicContact CD1-CB 4.06Å; L646-L650 HydrophobicContact CD1-CD1 3.86Å; L646-L650 HydrophobicContact CD2-CB 3.86Å; L646-L650 HydrophobicContact CG-CB 3.79Å; L646-L650 HydrophobicContact CG-CD1 4.44Å; P647-L650 HydrophobicContact CB-CG 4.49Å; P647-L650 HydrophobicContact CG-CD1 4.33Å; P647-L650 WeakPolarHBondContact O-CB 3.3Å; P647-L650 PolarHBondContact O-N 3.3Å; P647-L650 VanDerWaalsContact O-N 3.08Å; S648-L650 VanDerWaalsContact C-N 3.26Å; L650-A652 VanDerWaalsContact C-N 3.26Å; L650-A652 PolarHBondContact O-N 3.22Å; L650-K653 HydrophobicContact CD2-CD 3.94Å; L650-K653 WeakPolarHBondContact O-CB 3.33Å; L650-K653 PolarHBondContact O-N 2.84Å
651	Q	76.3	Confident	78.2	Confident	31 Å²	31	62.1 Å²	62.1	15%	0.145	37%	0.367	C	S	.	.	H	α-helix	trans	-62.8	-34.4	172.2	-63	178.7	7.4	0	0	111.6	L646 P647 S648 K653 I654	L646-Q651 HydrophobicContact CB-CG 4Å; L646-Q651 HydrophobicContact CD2-CG 3.98Å; L646-Q651 HydrophobicContact CG-CG 4.23Å; L646-Q651 PolarHBondContact O-NE2 3.05Å; P647-Q651 WeakPolarHBondContact O-CG 3.37Å; P647-Q651 PolarHBondContact O-N 3.16Å; S648-Q651 CarbonylContact O-C 3.59Å; S648-Q651 PolarHBondContact O-N 2.78Å; Q651-K653 VanDerWaalsContact C-N 3.28Å; Q651-K653 PolarHBondContact O-N 3.07Å; Q651-I654 WeakPolarHBondContact O-CD1 3.24Å; Q651-I654 WeakPolarHBondContact O-CG1 3.08Å; Q651-I654 WeakPolarHBondContact O-CG2 3.38Å; Q651-I654 PolarHBondContact O-N 2.82Å
652	A	77.8	Confident	77.9	Confident	50 Å²	50	61.6 Å²	61.6	41%	0.413	36%	0.364	S	S	.	.	H	α-helix	trans	-67.5	-29.6	-179.8	0	0	0	0	0	112.3	S648 D649 L650 I654 F655	S648-A652 VanDerWaalsContact O-CB 3.28Å; S648-A652 WeakPolarHBondContact O-CB 3.43Å; S648-A652 PolarHBondContact O-N 3.16Å; D649-A652 PolarHBondContact O-N 3.5Å; L650-A652 VanDerWaalsContact C-N 3.26Å; L650-A652 PolarHBondContact O-N 3.22Å; A652-I654 PolarHBondContact O-N 3.33Å; A652-I654 VanDerWaalsContact O-N 3.09Å; A652-F655 PolarHBondContact O-N 2.99Å
653	K	82.5	Confident	78	Confident	99 Å²	99	61.3 Å²	61.3	43%	0.43	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-57	-24.8	175.9	-67.9	-177.7	177.8	178.6	0	113.2	V640 D649 L650 Q651 F655 E656	V640-K653 HydrophobicContact CG1-CB 4.23Å; D649-K653 PolarHBondContact O-N 3.03Å; L650-K653 HydrophobicContact CD2-CD 3.94Å; L650-K653 WeakPolarHBondContact O-CB 3.33Å; L650-K653 PolarHBondContact O-N 2.84Å; Q651-K653 VanDerWaalsContact C-N 3.28Å; Q651-K653 PolarHBondContact O-N 3.07Å; K653-F655 PolarHBondContact O-N 2.87Å; K653-E656 PolarHBondContact O-N 2.57Å
654	I	85.1	Confident	78.4	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.01	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-62.3	-26.8	176.6	79.8	-169.5	0	0	0	112.1	V640 I642 Q651 A652 K664 V666 V676 I678	V640-I654 HydrophobicContact CG1-CG2 3.78Å; I642-I654 HydrophobicContact CB-CG2 4.18Å; I642-I654 HydrophobicContact CD1-CD1 3.39Å; I642-I654 HydrophobicContact CD1-CG2 4.32Å; Q651-I654 WeakPolarHBondContact O-CD1 3.24Å; Q651-I654 WeakPolarHBondContact O-CG1 3.08Å; Q651-I654 WeakPolarHBondContact O-CG2 3.38Å; Q651-I654 PolarHBondContact O-N 2.82Å; A652-I654 PolarHBondContact O-N 3.33Å; A652-I654 VanDerWaalsContact O-N 3.09Å; I654-K664 PolarHBondContact O-NZ 3.38Å; I654-V666 HydrophobicContact CG2-CG1 4.44Å; I654-V676 HydrophobicContact CD1-CG1 4.33Å; I654-I678 HydrophobicContact CB-CD1 4.35Å; I654-I678 HydrophobicContact CD1-CD1 4.02Å; I654-I678 HydrophobicContact CD1-CG1 4.04Å; I654-I678 HydrophobicContact CG1-CD1 4.3Å; I654-I678 HydrophobicContact CG1-CG1 4.2Å
655	F	83.2	Confident	79.3	Confident	113 Å²	113	56.7 Å²	56.7	50%	0.496	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-90.1	-9.3	-177.9	-57.8	-70.5	0	0	0	112.8	A652 K653 V676	A652-F655 PolarHBondContact O-N 2.99Å; K653-F655 PolarHBondContact O-N 2.87Å; F655-V676 HydrophobicContact CE1-CG1 3.99Å; F655-V676 HydrophobicContact CZ-CG1 3.79Å
656	E	82.9	Confident	80.5	Confident	112 Å²	112	52.5 Å²	52.5	52%	0.523	31%	0.307	S	S	.	.	S	Bend	trans	-67.7	136.6	178.2	-68	177.8	-175.5	0	0	110.4	K653 K664	K653-E656 PolarHBondContact O-N 2.57Å; E656-K664 PolarHBondContact O-NZ 2.91Å
657	P	80	Confident	81.6	Confident	120 Å²	120	52.1 Å²	52.1	78%	0.779	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-74	139.7	175.4	30	-33.2	0	0	0	110.5
658	M	81.1	Confident	82.9	Confident	53 Å²	53	49.9 Å²	49.9	26%	0.261	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-76.5	150	176.7	-62.9	-46	-44.9	0	0	112.7	V638 K664	V638-M658 HydrophobicContact CB-CE 3.6Å; V638-M658 HydrophobicContact CB-SD 4.28Å; V638-M658 HydrophobicContact CG1-CE 3.93Å; V638-M658 HydrophobicContact CG1-SD 4.46Å; V638-M658 HydrophobicContact CG2-CE 3.44Å; V638-M658 VanDerWaalsContact CG2-CE 3.44Å; M658-K664 HydrophobicContact CG-CB 3.61Å; M658-K664 HydrophobicContact CG-CD 4.37Å; M658-K664 HydrophobicContact CG-CG 4.4Å; M658-K664 HydrophobicContact SD-CB 3.81Å; M658-K664 HydrophobicContact SD-CD 3.89Å; M658-K664 HydrophobicContact SD-CG 4Å
659	P	77.4	Confident	84.1	Confident	68 Å²	68	48.7 Å²	48.7	44%	0.442	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-62.8	150.5	169.7	27	-29.5	0	0	0	110.4	G661 A662	P659-G661 PolarHBondContact O-N 3.07Å; P659-A662 HydrophobicContact CG-CB 4.09Å; P659-A662 PolarHBondContact O-N 2.93Å
660	P	78.2	Confident	85	Confident	141 Å²	141	46.7 Å²	46.7	92%	0.916	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	124.7	-176.7	25	-33.5	0	0	0	111
661	G	80.6	Confident	85.4	Confident	44 Å²	44	45.7 Å²	45.7	45%	0.454	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.7	-9.7	179	0	0	0	0	0	115.1	P659	P659-G661 PolarHBondContact O-N 3.07Å
662	A	85.9	Confident	85.8	Confident	10 Å²	10	44.5 Å²	44.5	8%	0.083	26%	0.26	C	S	.	.			trans	-93	157.4	169.7	0	0	0	0	0	111.4	E636 P659	E636-A662 HydrophobicContact CB-CB 4.06Å; E636-A662 HydrophobicContact CG-CB 4.43Å; E636-A662 WeakPolarHBondContact O-CA 3.3Å; P659-A662 HydrophobicContact CG-CB 4.09Å; P659-A662 PolarHBondContact O-N 2.93Å
663	R	90.2	Very high	86	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.4	171.9	-176.3	168.3	-75	179.6	6.1	110.3	I596 H597 Q600 P601 L602 G604 I606 E636 L637 V638	I596-R663 PolarHBondContact O-NH1 3.41Å; H597-R663 VanDerWaalsContact CA-NH1 3.29Å; Q600-R663 PolarHBondContact O-NH2 3Å; P601-R663 PolarHBondContact O-NH2 2.76Å; L602-R663 HydrophobicContact CD2-CB 4.01Å; G604-R663 WeakPolarHBondContact O-CD 3.43Å; G604-R663 WeakPolarHBondContact O-CG 3.38Å; G604-R663 PolarHBondContact O-NE 3.41Å; I606-R663 HydrophobicContact CD1-CG 4.44Å; E636-R663 PolarHBondContact O-N 3.5Å; L637-R663 HydrophobicContact CD1-CB 4.08Å; L637-R663 HydrophobicContact CD1-CG 4.31Å; V638-R663 PolarHBondContact N-O 2.67Å
664	K	91.8	Very high	85.5	Confident	4 Å²	4	38.4 Å²	38.4	2%	0.017	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	138.1	170.4	-166.4	167	49.5	-171.6	0	110.3	D605 I606 V638 V640 I654 E656 M658 V666	D605-K664 WeakPolarHBondContact CA-O 3.41Å; D605-K664 HydrophobicContact CB-CB 4.02Å; D605-K664 VanDerWaalsContact CG-CB 3.46Å; D605-K664 WeakPolarHBondContact OD1-CB 3.42Å; D605-K664 PolarHBondContact OD1-N 3.29Å; D605-K664 VanDerWaalsContact OD2-CE 3.24Å; D605-K664 WeakPolarHBondContact OD2-CE 3.3Å; D605-K664 IonicContact OD2-NZ 2.73Å; I606-K664 PolarHBondContact N-O 3Å; V638-K664 CarbonylContact O-C 3.51Å; V638-K664 WeakPolarHBondContact O-CA 3.29Å; V640-K664 HydrophobicContact CG2-CD 4.46Å; V640-K664 HydrophobicContact CG2-CG 4.26Å; I654-K664 PolarHBondContact O-NZ 3.38Å; E656-K664 PolarHBondContact O-NZ 2.91Å; M658-K664 HydrophobicContact CG-CB 3.61Å; M658-K664 HydrophobicContact CG-CD 4.37Å; M658-K664 HydrophobicContact CG-CG 4.4Å; M658-K664 HydrophobicContact SD-CB 3.81Å; M658-K664 HydrophobicContact SD-CD 3.89Å; M658-K664 HydrophobicContact SD-CG 4Å; K664-V666 HydrophobicContact CD-CG2 4.09Å; K664-V666 HydrophobicContact CG-CG2 3.99Å
665	V	94.2	Very high	84.6	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	113.5	167	-179.7	0	0	0	0	107.4	V593 I606 V608 L623 L637 V638 V639 V640 L667	V593-V665 HydrophobicContact CG1-CG1 4.18Å; V593-V665 HydrophobicContact CG1-CG2 3.87Å; V593-V665 HydrophobicContact CG2-CG1 4.41Å; I606-V665 HydrophobicContact CB-CG2 4.22Å; I606-V665 HydrophobicContact CD1-CG2 4.07Å; I606-V665 HydrophobicContact CG2-CG1 4.49Å; I606-V665 CarbonylContact O-C 3.45Å; I606-V665 WeakPolarHBondContact O-CA 3.42Å; V608-V665 HydrophobicContact CG2-CG1 4.06Å; L623-V665 HydrophobicContact CD1-CG1 4.47Å; L637-V665 HydrophobicContact CD1-CG2 3.31Å; L637-V665 HydrophobicContact CD2-CG2 4.01Å; L637-V665 HydrophobicContact CG-CG2 3.73Å; V638-V665 PolarHBondContact O-N 2.84Å; V639-V665 CarbonylContact C-O 3.56Å; V639-V665 WeakPolarHBondContact CA-O 3.4Å; V639-V665 HydrophobicContact CG2-CB 4.46Å; V640-V665 PolarHBondContact N-O 2.88Å; V665-L667 HydrophobicContact CG1-CD2 3.84Å; V665-L667 HydrophobicContact CG1-CG 4.42Å
666	V	94	Very high	84	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	116.4	174.3	-175.5	0	0	0	0	108.7	I606 L607 V608 V640 I642 I654 K664 A668 I678	I606-V666 PolarHBondContact O-N 2.81Å; L607-V666 HydrophobicContact CD1-CB 3.92Å; L607-V666 HydrophobicContact CD1-CG1 3.93Å; V608-V666 PolarHBondContact N-O 3.07Å; V640-V666 VanDerWaalsContact O-CA 3.31Å; V640-V666 WeakPolarHBondContact O-CA 3.31Å; I642-V666 HydrophobicContact CG2-CG1 3.68Å; I654-V666 HydrophobicContact CG2-CG1 4.44Å; K664-V666 HydrophobicContact CD-CG2 4.09Å; K664-V666 HydrophobicContact CG-CG2 3.99Å; V666-A668 HydrophobicContact CG1-CB 4.34Å; V666-I678 HydrophobicContact CB-CD1 4.46Å; V666-I678 HydrophobicContact CG1-CD1 3.87Å; V666-I678 HydrophobicContact CG2-CD1 4.3Å
667	L	95	Very high	83.5	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	106.5	173.9	-57.4	179.9	0	0	0	108.4	V608 L610 I616 V619 Q620 L623 V639 V640 P641 I642 V665	V608-L667 HydrophobicContact CB-CD2 3.77Å; V608-L667 HydrophobicContact CG1-CD2 4.34Å; V608-L667 HydrophobicContact CG2-CD2 3.81Å; L610-L667 HydrophobicContact CD1-CB 4.4Å; L610-L667 HydrophobicContact CD1-CD2 4.39Å; I616-L667 HydrophobicContact CG1-CB 4.48Å; I616-L667 HydrophobicContact CG2-CB 3.88Å; I616-L667 HydrophobicContact CG2-CD1 4.37Å; V619-L667 HydrophobicContact CB-CD1 4.19Å; V619-L667 HydrophobicContact CG1-CD1 3.84Å; V619-L667 HydrophobicContact CG1-CD2 3.84Å; Q620-L667 HydrophobicContact CB-CD1 3.88Å; L623-L667 HydrophobicContact CD1-CD1 4.49Å; L623-L667 HydrophobicContact CD1-CD2 4.27Å; V639-L667 HydrophobicContact CG1-CD1 3.56Å; V639-L667 HydrophobicContact CG1-CG 3.91Å; V640-L667 PolarHBondContact O-N 3.07Å; P641-L667 CarbonylContact C-O 3.55Å; P641-L667 WeakPolarHBondContact CA-O 3.14Å; I642-L667 PolarHBondContact N-O 3.1Å; V665-L667 HydrophobicContact CG1-CD2 3.84Å; V665-L667 HydrophobicContact CG1-CG 4.42Å
668	A	93.3	Very high	83.6	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	148.5	-167.8	0	0	0	0	0	113.2	L607 V608 F609 L610 I642 V666 A672	L607-A668 HydrophobicContact CD1-CB 3.66Å; V608-A668 PolarHBondContact O-N 2.88Å; F609-A668 CarbonylContact C-O 3.56Å; F609-A668 VanDerWaalsContact CA-O 3.31Å; F609-A668 WeakPolarHBondContact CA-O 3.36Å; L610-A668 PolarHBondContact N-O 3.34Å; I642-A668 HydrophobicContact CG2-CB 3.35Å; I642-A668 WeakPolarHBondContact O-CA 3.38Å; V666-A668 HydrophobicContact CG1-CB 4.34Å; A668-A672 HydrophobicContact CB-CB 3.57Å
669	T	91.4	Very high	83.5	Confident	11 Å²	11	30.6 Å²	30.6	7%	0.067	19%	0.192	C	C	.	.			trans	-78	-172.2	160.5	67.2	0	0	0	0	111.3	L610 I616 I642 I671 A672	L610-T669 WeakPolarHBondContact O-CA 3.48Å; I616-T669 HydrophobicContact CD1-CG2 3.69Å; I642-T669 PolarHBondContact O-N 3.36Å; T669-I671 PolarHBondContact O-N 2.76Å; T669-I671 WeakPolarHBondContact OG1-CD1 3.45Å; T669-I671 WeakPolarHBondContact OG1-CG1 3.41Å; T669-I671 PolarHBondContact OG1-N 3.05Å; T669-A672 PolarHBondContact O-N 3.41Å; T669-A672 VanDerWaalsContact O-N 3.1Å
670	N	88.4	Confident	83.9	Confident	64 Å²	64	28.7 Å²	28.7	34%	0.342	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-56.1	-3.8	168.6	66.8	-31	0	0	0	114.4	R448 A672 E673	R448-N670 PolarHBondContact NH2-O 3.05Å; N670-A672 PolarHBondContact O-N 3.41Å; N670-E673 HydrophobicContact CB-CB 4.32Å; N670-E673 WeakPolarHBondContact O-CB 2.81Å; N670-E673 PolarHBondContact O-N 2.86Å
671	I	84	Confident	84.4	Confident	38 Å²	38	22.3 Å²	22.3	20%	0.195	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-57.7	-36.4	167.6	-66.3	169.9	0	0	0	111.2	R448 I642 A644 T669 E673 T674 V676	R448-I671 PolarHBondContact NH1-O 3.21Å; I642-I671 HydrophobicContact CD1-CG2 4.27Å; I642-I671 HydrophobicContact CG1-CG2 4.48Å; A644-I671 HydrophobicContact CB-CD1 4.07Å; A644-I671 VanDerWaalsContact N-CD1 3.32Å; T669-I671 PolarHBondContact O-N 2.76Å; T669-I671 WeakPolarHBondContact OG1-CD1 3.45Å; T669-I671 WeakPolarHBondContact OG1-CG1 3.41Å; T669-I671 PolarHBondContact OG1-N 3.05Å; I671-E673 VanDerWaalsContact C-N 3.26Å; I671-E673 PolarHBondContact O-N 3.45Å; I671-T674 VanDerWaalsContact O-O 3.05Å; I671-V676 HydrophobicContact CG2-CG2 4.33Å
672	A	85.8	Confident	84.9	Confident	5 Å²	5	20.9 Å²	20.9	4%	0.041	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-78	-10.7	176.9	0	0	0	0	0	113.6	L607 F609 A668 T669 N670 R720	L607-A672 HydrophobicContact CD1-CB 3.89Å; L607-A672 HydrophobicContact CD2-CB 3.96Å; F609-A672 HydrophobicContact CE1-CB 3.88Å; F609-A672 HydrophobicContact CZ-CB 4.19Å; A668-A672 HydrophobicContact CB-CB 3.57Å; T669-A672 PolarHBondContact O-N 3.41Å; T669-A672 VanDerWaalsContact O-N 3.1Å; N670-A672 PolarHBondContact O-N 3.41Å; A672-R720 VanDerWaalsContact O-CD 3.23Å; A672-R720 WeakPolarHBondContact O-CD 3.32Å; A672-R720 PolarHBondContact O-NE 3.3Å; A672-R720 PolarHBondContact O-NH1 2.69Å
673	E	81.7	Confident	85.2	Confident	17 Å²	17	21.1 Å²	21.1	8%	0.079	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-35.3	-174.5	-173.2	174.8	143.1	0	0	113.3	F609 N670 I671 S713 Q716 R717 R720	F609-E673 HydrophobicContact CE1-CB 4.06Å; N670-E673 HydrophobicContact CB-CB 4.32Å; N670-E673 WeakPolarHBondContact O-CB 2.81Å; N670-E673 PolarHBondContact O-N 2.86Å; I671-E673 VanDerWaalsContact C-N 3.26Å; I671-E673 PolarHBondContact O-N 3.45Å; E673-S713 VanDerWaalsContact OE1-CA 3.27Å; E673-S713 WeakPolarHBondContact OE1-CA 3.47Å; E673-S713 WeakPolarHBondContact OE1-CB 3.32Å; E673-S713 PolarHBondContact OE1-OG 3.13Å; E673-Q716 HydrophobicContact CG-CB 4.18Å; E673-R717 HydrophobicContact CG-CG 3.99Å; E673-R717 IonicContact OE2-CZ 3.97Å; E673-R717 IonicContact OE2-NE 3.82Å; E673-R717 PolarHBondContact OE2-NE 3.13Å; E673-R717 VanDerWaalsContact OE2-NE 3.09Å; E673-R717 IonicContact OE2-NH2 2.72Å; E673-R717 PolarHBondContact OE2-NH2 3.09Å; E673-R720 VanDerWaalsContact C-NH2 3.33Å; E673-R720 PolarHBondContact O-NE 3.37Å; E673-R720 PolarHBondContact O-NH2 3.1Å
674	T	71.2	Confident	85.4	Confident	5 Å²	5	21.1 Å²	21.1	3%	0.031	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.7	159.5	178.9	57.7	0	0	0	0	111.1	R448 E518 I671 V676 R720	R448-T674 PolarHBondContact NE-OG1 2.98Å; R448-T674 PolarHBondContact NH1-O 3.15Å; R448-T674 PolarHBondContact NH1-OG1 2.76Å; R448-T674 PolarHBondContact NH2-OG1 3.23Å; E518-T674 HydrophobicContact CG-CG2 4.15Å; E518-T674 WeakPolarHBondContact OE1-CB 3.44Å; E518-T674 PolarHBondContact OE1-OG1 2.55Å; I671-T674 VanDerWaalsContact O-O 3.05Å; T674-V676 PolarHBondContact O-N 3.46Å; T674-R720 VanDerWaalsContact CA-NH2 3.25Å
675	S	65.2	Low	85.6	Confident	21 Å²	21	20.9 Å²	20.9	15%	0.147	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	-21.7	170.7	-0.8	0	0	0	0	121.2	R448 E518	R448-S675 WeakPolarHBondContact CD-OG 3.22Å; E518-S675 PolarHBondContact OE1-OG 3.47Å
676	V	70.7	Confident	85.7	Confident	17 Å²	17	20.9 Å²	20.9	10%	0.103	12%	0.124	C	C	.	.			trans	-103.8	126.3	175.3	-176.2	0	0	0	0	110.5	I654 F655 I671 T674 I678 R720 R723	I654-V676 HydrophobicContact CD1-CG1 4.33Å; F655-V676 HydrophobicContact CE1-CG1 3.99Å; F655-V676 HydrophobicContact CZ-CG1 3.79Å; I671-V676 HydrophobicContact CG2-CG2 4.33Å; T674-V676 PolarHBondContact O-N 3.46Å; V676-I678 HydrophobicContact CG1-CG1 4.22Å; V676-R720 PolarHBondContact O-NH1 2.92Å; V676-R723 PolarHBondContact O-NH1 2.91Å
677	T	74	Confident	85.7	Confident	70 Å²	70	21 Å²	21	43%	0.429	13%	0.125	S	C	.	.			trans	-107.7	110.2	174.5	52.1	0	0	0	0	109.6	R723	T677-R723 VanDerWaalsContact CA-NH1 3.34Å
678	I	81.1	Confident	85.7	Confident	9 Å²	9	21.2 Å²	21.2	5%	0.046	13%	0.127	C	C	.	.			trans	-96.5	119.4	172.3	-55.8	169.3	0	0	0	107.2	I654 V666 V676 I681	I654-I678 HydrophobicContact CB-CD1 4.35Å; I654-I678 HydrophobicContact CD1-CD1 4.02Å; I654-I678 HydrophobicContact CD1-CG1 4.04Å; I654-I678 HydrophobicContact CG1-CD1 4.3Å; I654-I678 HydrophobicContact CG1-CG1 4.2Å; V666-I678 HydrophobicContact CB-CD1 4.46Å; V666-I678 HydrophobicContact CG1-CD1 3.87Å; V666-I678 HydrophobicContact CG2-CD1 4.3Å; V676-I678 HydrophobicContact CG1-CG1 4.22Å; I678-I681 HydrophobicContact CB-CD1 3.62Å; I678-I681 HydrophobicContact CB-CG1 4.19Å; I678-I681 HydrophobicContact CD1-CD1 4.26Å; I678-I681 HydrophobicContact CG1-CD1 4.42Å; I678-I681 HydrophobicContact CG2-CD1 4.09Å; I678-I681 HydrophobicContact CG2-CG1 4.18Å
679	D	79.7	Confident	85.7	Confident	119 Å²	119	24.4 Å²	24.4	64%	0.636	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	138.7	179.6	-66.7	-26.7	0	0	0	110.6
680	G	84.5	Confident	85.7	Confident	28 Å²	28	24.8 Å²	24.8	29%	0.289	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.9	-7.7	175.1	0	0	0	0	0	115.5	D605 A682	D605-G680 WeakPolarHBondContact CB-O 3.48Å; D605-G680 PolarHBondContact N-O 2.86Å; G680-A682 PolarHBondContact O-N 2.84Å
681	I	89.1	Confident	85.8	Confident	6 Å²	6	25 Å²	25	3%	0.031	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	120.6	177.1	-60.3	172.1	0	0	0	109.9	L607 I678 V684 T724	L607-I681 HydrophobicContact CB-CD1 3.8Å; L607-I681 HydrophobicContact CB-CG1 4.27Å; L607-I681 HydrophobicContact CB-CG2 3.84Å; L607-I681 HydrophobicContact CD1-CD1 4.39Å; L607-I681 HydrophobicContact CD2-CD1 3.82Å; L607-I681 HydrophobicContact CG-CD1 4.22Å; I678-I681 HydrophobicContact CB-CD1 3.62Å; I678-I681 HydrophobicContact CB-CG1 4.19Å; I678-I681 HydrophobicContact CD1-CD1 4.26Å; I678-I681 HydrophobicContact CG1-CD1 4.42Å; I678-I681 HydrophobicContact CG2-CD1 4.09Å; I678-I681 HydrophobicContact CG2-CG1 4.18Å; I681-V684 HydrophobicContact CG2-CG2 4.06Å; I681-T724 PolarHBondContact O-OG1 2.55Å
682	A	90.6	Very high	85.9	Confident	14 Å²	14	25 Å²	25	12%	0.116	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	-23.7	172	0	0	0	0	0	112.1	D605 G680 G727 K728	D605-A682 PolarHBondContact O-N 3.19Å; G680-A682 PolarHBondContact O-N 2.84Å; A682-G727 CarbonylContact O-C 3.11Å; A682-G727 WeakPolarHBondContact O-CA 3.28Å; A682-K728 PolarHBondContact O-N 2.61Å
683	Y	94	Very high	86	Confident	15 Å²	15	27.1 Å²	27.1	6%	0.059	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	129.4	-177.3	-52	-73.2	0	0	0	110.1	I596 Q600 P601 D605 I606 L607 K728 F730	I596-Y683 HydrophobicContact CG2-CD1 3.97Å; I596-Y683 HydrophobicContact CG2-CD2 3.86Å; I596-Y683 HydrophobicContact CG2-CE2 4.41Å; I596-Y683 HydrophobicContact CG2-CG 3.63Å; Q600-Y683 HydrophobicContact CB-CE1 3.77Å; Q600-Y683 HydrophobicContact CB-CE2 4.14Å; Q600-Y683 VanDerWaalsContact CB-CZ 3.49Å; Q600-Y683 WeakPolarHBondContact CB-OH 3.39Å; Q600-Y683 HydrophobicContact CG-CD1 4.33Å; Q600-Y683 HydrophobicContact CG-CE1 3.73Å; P601-Y683 PolarHBondContact O-OH 3.08Å; D605-Y683 PolarHBondContact O-N 3.16Å; I606-Y683 CarbonylContact C-O 3.43Å; I606-Y683 WeakPolarHBondContact CA-O 3.3Å; I606-Y683 HydrophobicContact CG1-CD2 4.17Å; I606-Y683 HydrophobicContact CG1-CG 4.46Å; L607-Y683 PolarHBondContact N-O 2.84Å; Y683-K728 CarbonylContact C-O 3.52Å; Y683-K728 WeakPolarHBondContact CA-O 3.35Å; Y683-K728 HydrophobicContact CD1-CB 4.11Å; Y683-K728 HydrophobicContact CD1-CG 4.48Å; Y683-K728 HydrophobicContact CE1-CD 4.22Å; Y683-K728 HydrophobicContact CE1-CG 4.4Å; Y683-F730 HydrophobicContact CD1-CE2 4.24Å
684	V	94.7	Very high	86.2	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	134	174.4	170.2	0	0	0	0	109.2	L607 F609 I681 R720 A721 K728 C729 F730	L607-V684 HydrophobicContact CB-CG2 4.3Å; L607-V684 HydrophobicContact CD2-CG2 4.48Å; L607-V684 CarbonylContact O-C 3.55Å; L607-V684 WeakPolarHBondContact O-CA 3.09Å; F609-V684 HydrophobicContact CD2-CG1 4Å; F609-V684 HydrophobicContact CE2-CG1 3.8Å; I681-V684 HydrophobicContact CG2-CG2 4.06Å; V684-R720 HydrophobicContact CG2-CB 4.11Å; V684-A721 HydrophobicContact CB-CB 4.38Å; V684-A721 HydrophobicContact CG2-CB 3.76Å; V684-K728 PolarHBondContact N-O 2.99Å; V684-C729 HydrophobicContact CB-CB 4.49Å; V684-C729 CarbonylContact O-C 3.6Å; V684-C729 WeakPolarHBondContact O-CA 3.43Å; V684-F730 PolarHBondContact O-N 2.83Å
685	I	95.4	Very high	86.9	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.3	170.5	-56.7	174.1	0	0	0	107.6	V593 I596 I606 L607 V608 F609 F730 L732	V593-I685 HydrophobicContact CB-CD1 4.29Å; V593-I685 HydrophobicContact CG2-CD1 3.44Å; V593-I685 VanDerWaalsContact CG2-CD1 3.44Å; I596-I685 HydrophobicContact CD1-CD1 3.81Å; I596-I685 HydrophobicContact CD1-CG1 3.83Å; I606-I685 HydrophobicContact CG2-CD1 3.99Å; I606-I685 HydrophobicContact CG2-CG1 4.29Å; L607-I685 PolarHBondContact O-N 3.07Å; V608-I685 HydrophobicContact CG1-CB 4.29Å; V608-I685 HydrophobicContact CG1-CG2 4.43Å; V608-I685 HydrophobicContact CG2-CB 4.39Å; V608-I685 HydrophobicContact CG2-CD1 4.08Å; F609-I685 PolarHBondContact N-O 3.06Å; F609-I685 VanDerWaalsContact N-O 3.07Å; I685-F730 WeakPolarHBondContact CA-O 3.2Å; I685-L732 HydrophobicContact CG2-CD1 4.13Å; I685-L732 HydrophobicContact CG2-CD2 4.48Å; I685-L732 HydrophobicContact CG2-CG 4.26Å
686	D	95.4	Very high	87.8	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	104.8	-176.8	-179.9	29	0	0	0	110.7	G688 I709 R717 F730 R731 L732 Y733	D686-G688 PolarHBondContact O-N 3.17Å; D686-G688 PolarHBondContact OD1-N 3.33Å; D686-I709 WeakPolarHBondContact OD2-CD1 3.18Å; D686-R717 VanDerWaalsContact OD1-CD 3.3Å; D686-R717 WeakPolarHBondContact OD1-CD 3.47Å; D686-R717 IonicContact OD1-CZ 3.19Å; D686-R717 IonicContact OD1-NE 2.81Å; D686-R717 IonicContact OD1-NH1 3.33Å; D686-R717 PolarHBondContact OD1-NH1 3.3Å; D686-F730 PolarHBondContact N-O 3.33Å; D686-R731 HydrophobicContact CB-CG 4.36Å; D686-R731 WeakPolarHBondContact O-CA 3.45Å; D686-L732 PolarHBondContact O-N 3.41Å; D686-Y733 WeakPolarHBondContact O-CE1 3.44Å; D686-Y733 PolarHBondContact OD2-OH 2.95Å
687	P	94.8	Very high	88.3	Confident	3 Å²	3	30.6 Å²	30.6	2%	0.019	17%	0.165	C	C	.	.			trans	-73.2	-12.2	173.6	29.3	-33.8	0	0	0	113.5	Y585 F609 F689 L732	Y585-P687 HydrophobicContact CD2-CB 3.89Å; Y585-P687 HydrophobicContact CD2-CG 4.43Å; Y585-P687 HydrophobicContact CG-CB 4.11Å; F609-P687 WeakPolarHBondContact O-CD 3.5Å; F609-P687 WeakPolarHBondContact O-CG 3.4Å; P687-F689 HydrophobicContact CB-CD2 4.32Å; P687-F689 WeakPolarHBondContact O-CD2 3.48Å; P687-F689 WeakPolarHBondContact O-CE2 3.48Å; P687-L732 HydrophobicContact CB-CD1 4.23Å
688	G	93.7	Very high	88.5	Confident	4 Å²	4	35.7 Å²	35.7	4%	0.041	18%	0.177	C	C	.	.	S	Bend	trans	87.4	13.4	176.2	0	0	0	0	0	115.5	D686 P708 I709 Y733	D686-G688 PolarHBondContact O-N 3.17Å; D686-G688 PolarHBondContact OD1-N 3.33Å; G688-P708 CarbonylContact O-C 3.56Å; G688-P708 WeakPolarHBondContact O-CA 3.33Å; G688-I709 WeakPolarHBondContact O-CG1 3.24Å; G688-I709 PolarHBondContact O-N 3.19Å; G688-Y733 VanDerWaalsContact CA-CE1 3.5Å
689	F	94.2	Very high	88.4	Confident	67 Å²	67	40.8 Å²	40.8	29%	0.294	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	155.9	179.9	-60.4	-74.9	0	0	0	113.3	Y585 T611 P687 V706 V707 R717	Y585-F689 AromaticContact CD1-CD2 3.82Å; Y585-F689 HydrophobicContact CD1-CD2 3.82Å; Y585-F689 AromaticContact CD1-CE2 3.58Å; Y585-F689 HydrophobicContact CD1-CE2 3.58Å; Y585-F689 HydrophobicContact CD2-CD2 4.49Å; Y585-F689 AromaticContact CE1-CD2 3.88Å; Y585-F689 HydrophobicContact CE1-CD2 3.88Å; Y585-F689 AromaticContact CE1-CE2 3.92Å; Y585-F689 HydrophobicContact CE1-CE2 3.92Å; Y585-F689 HydrophobicContact CG-CD2 4.14Å; Y585-F689 HydrophobicContact CG-CE2 4.12Å; T611-F689 HydrophobicContact CG2-CB 3.7Å; P687-F689 HydrophobicContact CB-CD2 4.32Å; P687-F689 WeakPolarHBondContact O-CD2 3.48Å; P687-F689 WeakPolarHBondContact O-CE2 3.48Å; F689-V706 HydrophobicContact CB-CG1 3.83Å; F689-V706 HydrophobicContact CD1-CG1 4.05Å; F689-V706 HydrophobicContact CG-CG1 4.17Å; F689-V707 WeakPolarHBondContact CA-O 3.35Å; F689-R717 PolarHBondContact O-NH1 3.1Å; F689-R717 VanDerWaalsContact O-NH1 3.08Å; F689-R717 PolarHBondContact O-NH2 2.84Å
690	C	92.4	Very high	88.2	Confident	19 Å²	19	36.3 Å²	36.3	13%	0.128	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	158.9	166.2	66.8	0	0	0	0	110.6	V706 V707 I709	C690-V706 WeakPolarHBondContact O-CA 3.38Å; C690-V707 PolarHBondContact N-O 3.07Å; C690-V707 PolarHBondContact O-N 2.54Å; C690-I709 HydrophobicContact CB-CG2 3.96Å
691	K	89.7	Confident	88	Confident	67 Å²	67	35.2 Å²	35.2	29%	0.291	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	129.9	165.6	-76.6	-177.2	-174.1	-170.9	0	109.1	T611 L704 H705 V706	T611-K691 WeakPolarHBondContact O-CD 3.31Å; T611-K691 WeakPolarHBondContact O-CG 3.28Å; T611-K691 WeakPolarHBondContact OG1-CE 3.06Å; K691-L704 HydrophobicContact CB-CD1 3.94Å; K691-L704 HydrophobicContact CB-CD2 4.41Å; K691-L704 HydrophobicContact CB-CG 4.06Å; K691-L704 HydrophobicContact CD-CD2 4Å; K691-L704 HydrophobicContact CD-CG 4.24Å; K691-L704 HydrophobicContact CG-CG 4.48Å; K691-H705 WeakPolarHBondContact CA-O 3.26Å; K691-V706 HydrophobicContact CG-CG2 3.88Å
692	Q	87	Confident	87.6	Confident	38 Å²	38	39 Å²	39	18%	0.178	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.2	179.3	-171.2	173.4	40	0	0	109.4	H705 V707 R752	Q692-H705 PolarHBondContact N-O 3.47Å; Q692-H705 PolarHBondContact O-N 2.95Å; Q692-V707 HydrophobicContact CB-CG1 4.49Å; Q692-V707 HydrophobicContact CB-CG2 3.59Å; Q692-R752 VanDerWaalsContact NE2-NH2 3.17Å
693	N	86	Confident	87.3	Confident	50 Å²	50	41.7 Å²	41.7	27%	0.267	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	133.5	172.8	-162.1	17.4	0	0	0	109.1	E702 L704 R752	N693-E702 PolarHBondContact ND2-OE2 2.98Å; N693-L704 HydrophobicContact CB-CD1 4.42Å; N693-R752 PolarHBondContact O-NH1 3.42Å
694	S	87.4	Confident	86.8	Confident	13 Å²	13	45.7 Å²	45.7	9%	0.091	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	143.3	176.1	-70.3	0	0	0	0	109.4	E702 Y703 H705 R752	S694-E702 WeakPolarHBondContact O-CA 3.44Å; S694-Y703 VanDerWaalsContact CB-CZ 3.48Å; S694-Y703 PolarHBondContact N-O 3.17Å; S694-Y703 WeakPolarHBondContact O-CD1 3.31Å; S694-Y703 PolarHBondContact O-N 3.24Å; S694-H705 PolarHBondContact OG-CE1 3.35Å; S694-H705 VanDerWaalsContact OG-CE1 3.29Å; S694-R752 CarbonylContact C-O 3.55Å
695	Y	85.1	Confident	86.4	Confident	39 Å²	39	48.8 Å²	48.8	15%	0.153	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.9	179.6	-174.4	-111.4	0	0	0	109.9	F697 G700 M701 E702 R752 N754	Y695-F697 AromaticContact CD1-CD1 3.34Å; Y695-F697 HydrophobicContact CD1-CD1 3.34Å; Y695-F697 AromaticContact CD1-CE1 3.5Å; Y695-F697 HydrophobicContact CD1-CE1 3.5Å; Y695-F697 AromaticContact CD1-CG 3.98Å; Y695-F697 HydrophobicContact CD1-CG 3.98Å; Y695-F697 HydrophobicContact CD1-CZ 4.3Å; Y695-F697 HydrophobicContact CE1-CB 4.42Å; Y695-F697 AromaticContact CE1-CD1 3.54Å; Y695-F697 HydrophobicContact CE1-CD1 3.54Å; Y695-F697 HydrophobicContact CE1-CE1 4.08Å; Y695-F697 HydrophobicContact CE1-CG 4.25Å; Y695-F697 PolarHBondContact O-N 3.24Å; Y695-G700 WeakPolarHBondContact OH-CA 3.28Å; Y695-M701 WeakPolarHBondContact CA-O 3.4Å; Y695-M701 WeakPolarHBondContact CD2-O 3.38Å; Y695-E702 HydrophobicContact CD2-CG 3.55Å; Y695-E702 HydrophobicContact CE2-CG 4.21Å; Y695-R752 VanDerWaalsContact CB-O 3.24Å; Y695-R752 WeakPolarHBondContact CB-O 3.12Å; Y695-R752 PolarHBondContact N-O 2.69Å; Y695-N754 HydrophobicContact CD2-CB 4.43Å; Y695-N754 HydrophobicContact CE1-CB 4.26Å; Y695-N754 HydrophobicContact CE2-CB 4.15Å
696	D	85	Confident	86.2	Confident	48 Å²	48	51.7 Å²	51.7	26%	0.257	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	103.1	168.3	-176.4	-11.8	0	0	0	108.6	R698 R699 G700 M701 Y703	D696-R698 PolarHBondContact O-N 2.79Å; D696-R698 PolarHBondContact OD1-N 3Å; D696-R699 HydrophobicContact CB-CB 4.26Å; D696-R699 PolarHBondContact O-N 2.82Å; D696-R699 PolarHBondContact OD1-N 3.09Å; D696-R699 WeakPolarHBondContact OD2-CD 3.41Å; D696-R699 WeakPolarHBondContact OD2-CG 3.43Å; D696-R699 IonicContact OD2-NE 3.33Å; D696-G700 WeakPolarHBondContact O-CA 3.41Å; D696-G700 PolarHBondContact O-N 2.91Å; D696-M701 PolarHBondContact N-O 3.11Å; D696-M701 PolarHBondContact O-N 2.9Å; D696-Y703 HydrophobicContact CB-CE1 4.26Å
697	F	80.8	Confident	86	Confident	34 Å²	34	52.6 Å²	52.6	15%	0.149	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-34.6	-178.8	-56.2	-76.3	0	0	0	112.9	Y695 P780 A783 L786	Y695-F697 AromaticContact CD1-CD1 3.34Å; Y695-F697 HydrophobicContact CD1-CD1 3.34Å; Y695-F697 AromaticContact CD1-CE1 3.5Å; Y695-F697 HydrophobicContact CD1-CE1 3.5Å; Y695-F697 AromaticContact CD1-CG 3.98Å; Y695-F697 HydrophobicContact CD1-CG 3.98Å; Y695-F697 HydrophobicContact CD1-CZ 4.3Å; Y695-F697 HydrophobicContact CE1-CB 4.42Å; Y695-F697 AromaticContact CE1-CD1 3.54Å; Y695-F697 HydrophobicContact CE1-CD1 3.54Å; Y695-F697 HydrophobicContact CE1-CE1 4.08Å; Y695-F697 HydrophobicContact CE1-CG 4.25Å; Y695-F697 PolarHBondContact O-N 3.24Å; F697-P780 HydrophobicContact CE2-CG 4.05Å; F697-P780 HydrophobicContact CZ-CG 4.34Å; F697-A783 HydrophobicContact CD1-CB 3.31Å; F697-A783 HydrophobicContact CE1-CB 3.14Å; F697-A783 HydrophobicContact CE2-CB 4.38Å; F697-A783 HydrophobicContact CG-CB 4.06Å; F697-A783 HydrophobicContact CZ-CB 3.73Å; F697-L786 HydrophobicContact CB-CD1 3.89Å; F697-L786 VanDerWaalsContact O-CD1 3.28Å; F697-L786 WeakPolarHBondContact O-CD1 2.97Å
698	R	78.5	Confident	86	Confident	177 Å²	177	56.4 Å²	56.4	67%	0.668	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-39.1	-177	-66.7	-176.6	-176.1	-179.7	1.1	111.9	D696 E782 N960	D696-R698 PolarHBondContact O-N 2.79Å; D696-R698 PolarHBondContact OD1-N 3Å; R698-E782 IonicContact NE-OE2 3.54Å; R698-N960 PolarHBondContact O-ND2 3.37Å
699	R	78.4	Confident	86	Confident	115 Å²	115	56.4 Å²	56.4	43%	0.434	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-19.4	178	-67.6	-173.6	178.5	163.6	6.4	112.8	D696 M701 N960 E991	D696-R699 HydrophobicContact CB-CB 4.26Å; D696-R699 PolarHBondContact O-N 2.82Å; D696-R699 PolarHBondContact OD1-N 3.09Å; D696-R699 WeakPolarHBondContact OD2-CD 3.41Å; D696-R699 WeakPolarHBondContact OD2-CG 3.43Å; D696-R699 IonicContact OD2-NE 3.33Å; R699-M701 VanDerWaalsContact C-N 3.35Å; R699-M701 HydrophobicContact CB-CB 4.18Å; R699-N960 PolarHBondContact O-ND2 3.39Å; R699-E991 IonicContact NH1-OE1 2.85Å; R699-E991 PolarHBondContact NH1-OE1 3.36Å
700	G	76.3	Confident	85.9	Confident	26 Å²	26	53.5 Å²	53.5	27%	0.268	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	68	35.5	-173.2	0	0	0	0	0	112	Y695 D696	Y695-G700 WeakPolarHBondContact OH-CA 3.28Å; D696-G700 WeakPolarHBondContact O-CA 3.41Å; D696-G700 PolarHBondContact O-N 2.91Å
701	M	79.5	Confident	85.8	Confident	5 Å²	5	54.5 Å²	54.5	3%	0.025	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	132.8	-169.5	-174.9	174.3	63.8	0	0	111.9	Y695 D696 R699 L985 Y987 E991	Y695-M701 WeakPolarHBondContact CA-O 3.4Å; Y695-M701 WeakPolarHBondContact CD2-O 3.38Å; D696-M701 PolarHBondContact N-O 3.11Å; D696-M701 PolarHBondContact O-N 2.9Å; R699-M701 VanDerWaalsContact C-N 3.35Å; R699-M701 HydrophobicContact CB-CB 4.18Å; M701-L985 HydrophobicContact CB-CD2 4.08Å; M701-L985 HydrophobicContact CG-CB 4.3Å; M701-L985 HydrophobicContact CG-CD2 3.87Å; M701-L985 HydrophobicContact CG-CG 4.01Å; M701-L985 HydrophobicContact SD-CD2 3.66Å; M701-L985 HydrophobicContact SD-CG 3.86Å; M701-Y987 HydrophobicContact CE-CD2 4.11Å; M701-Y987 HydrophobicContact CE-CG 4.15Å; M701-E991 HydrophobicContact CE-CG 4.19Å; M701-E991 HydrophobicContact SD-CB 4.4Å; M701-E991 HydrophobicContact SD-CG 3.81Å
702	E	80.1	Confident	85.7	Confident	84 Å²	84	51.9 Å²	51.9	39%	0.393	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	134.4	167.3	-68.5	-171.9	-165.2	0	0	110.2	N693 S694 Y695	N693-E702 PolarHBondContact ND2-OE2 2.98Å; S694-E702 WeakPolarHBondContact O-CA 3.44Å; Y695-E702 HydrophobicContact CD2-CG 3.55Å; Y695-E702 HydrophobicContact CE2-CG 4.21Å
703	Y	84.2	Confident	85.8	Confident	71 Å²	71	50.8 Å²	50.8	28%	0.278	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	129.5	174.5	65.6	-85.9	0	0	0	111.2	S694 D696 H705	S694-Y703 VanDerWaalsContact CB-CZ 3.48Å; S694-Y703 PolarHBondContact N-O 3.17Å; S694-Y703 WeakPolarHBondContact O-CD1 3.31Å; S694-Y703 PolarHBondContact O-N 3.24Å; D696-Y703 HydrophobicContact CB-CE1 4.26Å; Y703-H705 HydrophobicContact CD2-CB 4.17Å; Y703-H705 AromaticContact CD2-CG 3.94Å; Y703-H705 AromaticContact CD2-ND1 3.43Å; Y703-H705 WeakPolarHBondContact CD2-ND1 3.36Å; Y703-H705 AromaticContact CE2-CE1 3.49Å; Y703-H705 VanDerWaalsContact CE2-CE1 3.49Å; Y703-H705 WeakPolarHBondContact CE2-CE1 3.29Å; Y703-H705 AromaticContact CE2-CG 3.85Å; Y703-H705 AromaticContact CE2-ND1 3.24Å; Y703-H705 WeakPolarHBondContact CE2-ND1 3.47Å
704	L	83.2	Confident	86	Confident	99 Å²	99	48.4 Å²	48.4	52%	0.518	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	106.9	176.8	-173.1	71.2	0	0	0	108.4	K691 N693	K691-L704 HydrophobicContact CB-CD1 3.94Å; K691-L704 HydrophobicContact CB-CD2 4.41Å; K691-L704 HydrophobicContact CB-CG 4.06Å; K691-L704 HydrophobicContact CD-CD2 4Å; K691-L704 HydrophobicContact CD-CG 4.24Å; K691-L704 HydrophobicContact CG-CG 4.48Å; N693-L704 HydrophobicContact CB-CD1 4.42Å
705	H	87	Confident	86	Confident	66 Å²	66	50.3 Å²	50.3	31%	0.306	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	159.8	-179.8	69.8	-65.4	0	0	0	111.3	K691 Q692 S694 Y703 V707	K691-H705 WeakPolarHBondContact CA-O 3.26Å; Q692-H705 PolarHBondContact N-O 3.47Å; Q692-H705 PolarHBondContact O-N 2.95Å; S694-H705 PolarHBondContact OG-CE1 3.35Å; S694-H705 VanDerWaalsContact OG-CE1 3.29Å; Y703-H705 HydrophobicContact CD2-CB 4.17Å; Y703-H705 AromaticContact CD2-CG 3.94Å; Y703-H705 AromaticContact CD2-ND1 3.43Å; Y703-H705 WeakPolarHBondContact CD2-ND1 3.36Å; Y703-H705 AromaticContact CE2-CE1 3.49Å; Y703-H705 VanDerWaalsContact CE2-CE1 3.49Å; Y703-H705 WeakPolarHBondContact CE2-CE1 3.29Å; Y703-H705 AromaticContact CE2-CG 3.85Å; Y703-H705 AromaticContact CE2-ND1 3.24Å; Y703-H705 WeakPolarHBondContact CE2-ND1 3.47Å; H705-V707 VanDerWaalsContact CD2-CG1 3.44Å; H705-V707 WeakPolarHBondContact CD2-CG1 3.17Å; H705-V707 WeakPolarHBondContact NE2-CG1 3.35Å
706	V	90.7	Very high	86.1	Confident	61 Å²	61	49.5 Å²	49.5	37%	0.37	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	125.5	177.9	-179.3	0	0	0	0	108.7	T611 F689 C690 K691	T611-V706 HydrophobicContact CG2-CG1 3.84Å; T611-V706 HydrophobicContact CG2-CG2 4.34Å; F689-V706 HydrophobicContact CB-CG1 3.83Å; F689-V706 HydrophobicContact CD1-CG1 4.05Å; F689-V706 HydrophobicContact CG-CG1 4.17Å; C690-V706 WeakPolarHBondContact O-CA 3.38Å; K691-V706 HydrophobicContact CG-CG2 3.88Å
707	V	91.7	Very high	86.4	Confident	18 Å²	18	47.2 Å²	47.2	11%	0.109	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	152.9	178.3	-63.9	0	0	0	0	110.5	F689 C690 Q692 H705	F689-V707 WeakPolarHBondContact CA-O 3.35Å; C690-V707 PolarHBondContact N-O 3.07Å; C690-V707 PolarHBondContact O-N 2.54Å; Q692-V707 HydrophobicContact CB-CG1 4.49Å; Q692-V707 HydrophobicContact CB-CG2 3.59Å; H705-V707 VanDerWaalsContact CD2-CG1 3.44Å; H705-V707 WeakPolarHBondContact CD2-CG1 3.17Å; H705-V707 WeakPolarHBondContact NE2-CG1 3.35Å
708	P	94.2	Very high	86.8	Confident	83 Å²	83	45.7 Å²	45.7	54%	0.539	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	146.1	167.3	28.8	-34.5	0	0	0	110.4	G688 L742	G688-P708 CarbonylContact O-C 3.56Å; G688-P708 WeakPolarHBondContact O-CA 3.33Å; P708-L742 HydrophobicContact CB-CD2 3.99Å
709	I	93.9	Very high	87	Confident	4 Å²	4	37.8 Å²	37.8	2%	0.021	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-75.3	162.1	178.7	65.1	-179.5	0	0	0	112.3	D686 G688 C690 A714 L742	D686-I709 WeakPolarHBondContact OD2-CD1 3.18Å; G688-I709 WeakPolarHBondContact O-CG1 3.24Å; G688-I709 PolarHBondContact O-N 3.19Å; C690-I709 HydrophobicContact CB-CG2 3.96Å; I709-A714 HydrophobicContact CD1-CB 3.69Å; I709-A714 HydrophobicContact CG1-CB 4.28Å; I709-L742 WeakPolarHBondContact O-CD2 3.34Å
710	S	92.1	Very high	87.4	Confident	7 Å²	7	32.5 Å²	32.5	5%	0.049	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-76.2	163.2	168.9	70.3	0	0	0	0	112	A712 S713 A714 E743 Q745 P746	S710-A712 VanDerWaalsContact C-N 3.27Å; S710-A712 PolarHBondContact O-N 2.95Å; S710-S713 WeakPolarHBondContact O-CB 3.23Å; S710-S713 PolarHBondContact O-N 3.26Å; S710-S713 WeakPolarHBondContact OG-CB 3.5Å; S710-S713 PolarHBondContact OG-N 2.9Å; S710-S713 PolarHBondContact OG-OG 3.15Å; S710-A714 WeakPolarHBondContact O-CB 3.34Å; S710-A714 PolarHBondContact O-N 3.44Å; S710-E743 CarbonylContact C-O 3.5Å; S710-E743 VanDerWaalsContact CA-O 3.27Å; S710-E743 WeakPolarHBondContact CA-O 3.24Å; S710-E743 WeakPolarHBondContact CB-O 3.22Å; S710-Q745 VanDerWaalsContact CB-C 3.44Å; S710-P746 WeakPolarHBondContact OG-CD 2.98Å
711	K	91	Very high	87.8	Confident	40 Å²	40	31.2 Å²	31.2	17%	0.174	17%	0.167	C	C	.	.	H	α-helix	trans	-61	-38.1	170.5	-65.6	-177.4	-166.8	151.5	0	111.5	A714 N715 Y738 Q739 L742 E743 D744	K711-A714 PolarHBondContact O-N 3.05Å; K711-N715 WeakPolarHBondContact O-CB 3.37Å; K711-N715 PolarHBondContact O-N 3.02Å; K711-N715 PolarHBondContact O-ND2 2.8Å; K711-N715 VanDerWaalsContact O-ND2 3.12Å; K711-Y738 HydrophobicContact CB-CE2 4.08Å; K711-Y738 WeakPolarHBondContact CE-O 3.45Å; K711-Y738 HydrophobicContact CG-CD2 4.43Å; K711-Y738 HydrophobicContact CG-CE2 3.96Å; K711-Q739 PolarHBondContact NZ-O 3.49Å; K711-L742 VanDerWaalsContact CE-O 3.29Å; K711-L742 WeakPolarHBondContact CE-O 3.42Å; K711-L742 HydrophobicContact CG-CB 3.93Å; K711-E743 PolarHBondContact N-O 2.81Å; K711-D744 VanDerWaalsContact CD-OD1 3.28Å; K711-D744 WeakPolarHBondContact CD-OD1 3.4Å; K711-D744 WeakPolarHBondContact CE-OD1 3.47Å; K711-D744 IonicContact NZ-OD1 3.89Å; K711-D744 PolarHBondContact NZ-OD1 3.15Å
712	A	86.8	Confident	87.6	Confident	12 Å²	12	31.2 Å²	31.2	10%	0.099	17%	0.168	C	C	.	.	H	α-helix	trans	-57.5	-51	174.2	0	0	0	0	0	111.2	T548 S710 A714 N715 Q716 D744 Q745	T548-A712 HydrophobicContact CG2-CB 4.43Å; S710-A712 VanDerWaalsContact C-N 3.27Å; S710-A712 PolarHBondContact O-N 2.95Å; A712-A714 PolarHBondContact O-N 3.12Å; A712-N715 PolarHBondContact O-N 2.73Å; A712-N715 VanDerWaalsContact O-N 3.17Å; A712-Q716 WeakPolarHBondContact O-CG 3.33Å; A712-Q716 PolarHBondContact O-N 3.07Å; A712-D744 WeakPolarHBondContact CB-O 3.42Å; A712-D744 PolarHBondContact N-O 3.35Å; A712-D744 VanDerWaalsContact N-O 3.16Å; A712-Q745 VanDerWaalsContact CB-OE1 3.23Å
713	S	89.2	Confident	87.3	Confident	14 Å²	14	28.8 Å²	28.8	10%	0.098	16%	0.155	C	C	.	.	H	α-helix	trans	-57.6	-47.8	174.8	-72	0	0	0	0	112.3	E673 S710 N715 Q716 R717	E673-S713 VanDerWaalsContact OE1-CA 3.27Å; E673-S713 WeakPolarHBondContact OE1-CA 3.47Å; E673-S713 WeakPolarHBondContact OE1-CB 3.32Å; E673-S713 PolarHBondContact OE1-OG 3.13Å; S710-S713 WeakPolarHBondContact O-CB 3.23Å; S710-S713 PolarHBondContact O-N 3.26Å; S710-S713 WeakPolarHBondContact OG-CB 3.5Å; S710-S713 PolarHBondContact OG-N 2.9Å; S710-S713 PolarHBondContact OG-OG 3.15Å; S713-N715 PolarHBondContact O-N 3.27Å; S713-Q716 PolarHBondContact O-N 3.16Å; S713-Q716 VanDerWaalsContact O-N 3.11Å; S713-R717 WeakPolarHBondContact O-CG 3.47Å; S713-R717 PolarHBondContact O-N 3.19Å
714	A	91.3	Very high	86.7	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.7	-35.9	177.7	0	0	0	0	0	112.6	I709 S710 K711 A712 A718 R731 Y733 Y738	I709-A714 HydrophobicContact CD1-CB 3.69Å; I709-A714 HydrophobicContact CG1-CB 4.28Å; S710-A714 WeakPolarHBondContact O-CB 3.34Å; S710-A714 PolarHBondContact O-N 3.44Å; K711-A714 PolarHBondContact O-N 3.05Å; A712-A714 PolarHBondContact O-N 3.12Å; A714-A718 WeakPolarHBondContact O-CB 3.29Å; A714-A718 PolarHBondContact O-N 3.16Å; A714-A718 VanDerWaalsContact O-N 3.09Å; A714-R731 PolarHBondContact O-NH2 2.94Å; A714-Y733 WeakPolarHBondContact CB-OH 3.39Å; A714-Y738 HydrophobicContact CB-CD2 4.42Å; A714-Y738 HydrophobicContact CB-CE2 4.05Å
715	N	88	Confident	86.4	Confident	54 Å²	54	24.1 Å²	24.1	29%	0.289	14%	0.142	S	C	.	.	H	α-helix	trans	-74.6	-35	177.6	-70.3	-26.6	0	0	0	112.2	K711 A712 S713 G719 R731 Y738	K711-N715 WeakPolarHBondContact O-CB 3.37Å; K711-N715 PolarHBondContact O-N 3.02Å; K711-N715 PolarHBondContact O-ND2 2.8Å; K711-N715 VanDerWaalsContact O-ND2 3.12Å; A712-N715 PolarHBondContact O-N 2.73Å; A712-N715 VanDerWaalsContact O-N 3.17Å; S713-N715 PolarHBondContact O-N 3.27Å; N715-G719 PolarHBondContact O-N 3.02Å; N715-R731 PolarHBondContact OD1-NH2 3.36Å; N715-R731 VanDerWaalsContact OD1-NH2 3.07Å; N715-Y738 PolarHBondContact ND2-OH 2.93Å; N715-Y738 VanDerWaalsContact ND2-OH 3.16Å; N715-Y738 PolarHBondContact OD1-OH 3.42Å; N715-Y738 VanDerWaalsContact OD1-OH 3.07Å
716	Q	86.4	Confident	86.2	Confident	21 Å²	21	24.3 Å²	24.3	10%	0.098	15%	0.149	C	C	.	.	H	α-helix	trans	-66.8	-43.6	172.9	-69.2	-174.5	5.9	0	0	112.2	H517 E673 A712 S713 G719 R720	H517-Q716 PolarHBondContact CD2-NE2 3.07Å; H517-Q716 PolarHBondContact NE2-NE2 3.12Å; E673-Q716 HydrophobicContact CG-CB 4.18Å; A712-Q716 WeakPolarHBondContact O-CG 3.33Å; A712-Q716 PolarHBondContact O-N 3.07Å; S713-Q716 PolarHBondContact O-N 3.16Å; S713-Q716 VanDerWaalsContact O-N 3.11Å; Q716-G719 PolarHBondContact O-N 3.22Å; Q716-G719 VanDerWaalsContact O-N 3.15Å; Q716-R720 WeakPolarHBondContact O-CG 3.17Å; Q716-R720 PolarHBondContact O-N 3.3Å
717	R	90.7	Very high	86.1	Confident	1 Å²	1	21.6 Å²	21.6	0%	0.004	13%	0.133	C	C	.	.	H	α-helix	trans	-57.1	-50	173.5	-68.5	-176.8	-179.7	-164.1	-3.6	111	F609 E673 D686 F689 S713 G719 R720	F609-R717 HydrophobicContact CD1-CG 4.21Å; F609-R717 HydrophobicContact CD2-CB 3.99Å; F609-R717 HydrophobicContact CD2-CG 3.85Å; F609-R717 HydrophobicContact CE1-CG 3.94Å; F609-R717 HydrophobicContact CE2-CB 3.54Å; F609-R717 HydrophobicContact CE2-CG 3.56Å; F609-R717 HydrophobicContact CG-CG 4.16Å; F609-R717 HydrophobicContact CZ-CB 3.98Å; F609-R717 HydrophobicContact CZ-CG 3.61Å; E673-R717 HydrophobicContact CG-CG 3.99Å; E673-R717 IonicContact OE2-CZ 3.97Å; E673-R717 IonicContact OE2-NE 3.82Å; E673-R717 PolarHBondContact OE2-NE 3.13Å; E673-R717 VanDerWaalsContact OE2-NE 3.09Å; E673-R717 IonicContact OE2-NH2 2.72Å; E673-R717 PolarHBondContact OE2-NH2 3.09Å; D686-R717 VanDerWaalsContact OD1-CD 3.3Å; D686-R717 WeakPolarHBondContact OD1-CD 3.47Å; D686-R717 IonicContact OD1-CZ 3.19Å; D686-R717 IonicContact OD1-NE 2.81Å; D686-R717 IonicContact OD1-NH1 3.33Å; D686-R717 PolarHBondContact OD1-NH1 3.3Å; F689-R717 PolarHBondContact O-NH1 3.1Å; F689-R717 VanDerWaalsContact O-NH1 3.08Å; F689-R717 PolarHBondContact O-NH2 2.84Å; S713-R717 WeakPolarHBondContact O-CG 3.47Å; S713-R717 PolarHBondContact O-N 3.19Å; R717-G719 VanDerWaalsContact C-N 3.29Å; R717-G719 PolarHBondContact O-N 3.2Å; R717-R720 WeakPolarHBondContact O-CB 3.34Å; R717-R720 WeakPolarHBondContact O-CG 3.48Å; R717-R720 PolarHBondContact O-N 2.79Å; R717-R720 VanDerWaalsContact O-N 3.13Å
718	A	88.8	Confident	86.1	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.008	14%	0.139	C	C	.	.	H	α-helix	trans	-59.7	-39.1	175.2	0	0	0	0	0	112.5	A714 R720 A721 C729	A714-A718 WeakPolarHBondContact O-CB 3.29Å; A714-A718 PolarHBondContact O-N 3.16Å; A714-A718 VanDerWaalsContact O-N 3.09Å; A718-R720 PolarHBondContact O-N 3.09Å; A718-A721 PolarHBondContact O-N 3.23Å; A718-C729 HydrophobicContact CB-CB 3.96Å
719	G	83.9	Confident	86.1	Confident	11 Å²	11	19.2 Å²	19.2	11%	0.113	11%	0.113	C	C	.	.	H	α-helix	trans	-61	-22.5	177.3	0	0	0	0	0	114.3	N715 Q716 R717 A721 G722	N715-G719 PolarHBondContact O-N 3.02Å; Q716-G719 PolarHBondContact O-N 3.22Å; Q716-G719 VanDerWaalsContact O-N 3.15Å; R717-G719 VanDerWaalsContact C-N 3.29Å; R717-G719 PolarHBondContact O-N 3.2Å; G719-A721 VanDerWaalsContact C-N 3.26Å; G719-A721 PolarHBondContact O-N 3.34Å; G719-G722 PolarHBondContact O-N 3.06Å
720	R	85.7	Confident	86.1	Confident	4 Å²	4	19.7 Å²	19.7	2%	0.015	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-63	-31.5	177.1	-58.6	-67.4	149.5	161.8	-20	112.7	L607 F609 A672 E673 T674 V676 V684 Q716 R717 A718 G722 R723	L607-R720 HydrophobicContact CD2-CB 4.04Å; L607-R720 HydrophobicContact CD2-CG 4.22Å; F609-R720 HydrophobicContact CZ-CG 4.32Å; A672-R720 VanDerWaalsContact O-CD 3.23Å; A672-R720 WeakPolarHBondContact O-CD 3.32Å; A672-R720 PolarHBondContact O-NE 3.3Å; A672-R720 PolarHBondContact O-NH1 2.69Å; E673-R720 VanDerWaalsContact C-NH2 3.33Å; E673-R720 PolarHBondContact O-NE 3.37Å; E673-R720 PolarHBondContact O-NH2 3.1Å; T674-R720 VanDerWaalsContact CA-NH2 3.25Å; V676-R720 PolarHBondContact O-NH1 2.92Å; V684-R720 HydrophobicContact CG2-CB 4.11Å; Q716-R720 WeakPolarHBondContact O-CG 3.17Å; Q716-R720 PolarHBondContact O-N 3.3Å; R717-R720 WeakPolarHBondContact O-CB 3.34Å; R717-R720 WeakPolarHBondContact O-CG 3.48Å; R717-R720 PolarHBondContact O-N 2.79Å; R717-R720 VanDerWaalsContact O-N 3.13Å; A718-R720 PolarHBondContact O-N 3.09Å; R720-G722 VanDerWaalsContact C-N 3.32Å; R720-G722 PolarHBondContact O-N 2.8Å; R720-R723 VanDerWaalsContact NH1-CZ 3.29Å
721	A	85.1	Confident	86.2	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-69.5	-26.2	177.9	0	0	0	0	0	113.4	V573 V684 A718 G719	V573-A721 HydrophobicContact CG1-CB 4.08Å; V573-A721 HydrophobicContact CG2-CB 4.23Å; V684-A721 HydrophobicContact CB-CB 4.38Å; V684-A721 HydrophobicContact CG2-CB 3.76Å; A718-A721 PolarHBondContact O-N 3.23Å; G719-A721 VanDerWaalsContact C-N 3.26Å; G719-A721 PolarHBondContact O-N 3.34Å
722	G	75.6	Confident	86.4	Confident	4 Å²	4	17.8 Å²	17.8	4%	0.041	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-94.9	14.2	-172.1	0	0	0	0	0	115.3	F571 V573 G719 R720	F571-G722 PolarHBondContact N-O 3.05Å; V573-G722 VanDerWaalsContact CG2-CA 3.48Å; G719-G722 PolarHBondContact O-N 3.06Å; R720-G722 VanDerWaalsContact C-N 3.32Å; R720-G722 PolarHBondContact O-N 2.8Å
723	R	74	Confident	86.7	Confident	34 Å²	34	18.1 Å²	18.1	13%	0.128	11%	0.105	C	C	.	.	S	Bend	trans	-82.5	-47	-172.3	-73.8	178.5	164.8	-176.2	-12.9	113.5	T418 V676 T677 R720	T418-R723 PolarHBondContact OG1-NE 3.49Å; T418-R723 PolarHBondContact OG1-NH2 3.23Å; V676-R723 PolarHBondContact O-NH1 2.91Å; T677-R723 VanDerWaalsContact CA-NH1 3.34Å; R720-R723 VanDerWaalsContact NH1-CZ 3.29Å
724	T	72	Confident	86.9	Confident	54 Å²	54	18.5 Å²	18.5	33%	0.331	11%	0.107	S	C	.	.	S	Bend	trans	-97	-32	-175	43.7	0	0	0	0	113.7	K381 F571 I681	K381-T724 PolarHBondContact NZ-O 3Å; F571-T724 WeakPolarHBondContact CE2-O 3.49Å; I681-T724 PolarHBondContact O-OG1 2.55Å
725	G	76	Confident	86.9	Confident	18 Å²	18	20 Å²	20	19%	0.186	12%	0.12	C	C	.	.	S	Bend	trans	-162.8	-179	-179.3	0	0	0	0	0	111	F571 G727	F571-G725 WeakPolarHBondContact CB-O 3.34Å; F571-G725 VanDerWaalsContact CG-CA 3.43Å; G725-G727 PolarHBondContact O-N 3.17Å
726	P	84.2	Confident	87.1	Confident	69 Å²	69	25 Å²	25	45%	0.448	13%	0.134	S	C	.	.			trans	-56.1	135.8	171.7	-22.5	33.6	0	0	0	110.8	F571 P572	F571-P726 HydrophobicContact CD1-CG 4.17Å; P572-P726 HydrophobicContact CG-CB 4.41Å; P572-P726 WeakPolarHBondContact O-CA 3.49Å
727	G	87.3	Confident	87.3	Confident	5 Å²	5	24.3 Å²	24.3	5%	0.052	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	169.3	-172.6	0	0	0	0	0	114.1	P572 V573 D574 A682 G725	P572-G727 PolarHBondContact O-N 3.47Å; P572-G727 VanDerWaalsContact O-N 3.1Å; V573-G727 VanDerWaalsContact CA-O 3.32Å; V573-G727 WeakPolarHBondContact CA-O 3.36Å; D574-G727 PolarHBondContact N-O 3.45Å; A682-G727 CarbonylContact O-C 3.11Å; A682-G727 WeakPolarHBondContact O-CA 3.28Å; G725-G727 PolarHBondContact O-N 3.17Å
728	K	91.9	Very high	87.4	Confident	51 Å²	51	26 Å²	26	22%	0.222	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	138.3	174.4	-56.3	-176.3	176.9	176.8	0	110.3	D574 Y576 A682 Y683 V684 F730	D574-K728 HydrophobicContact CB-CG 4.26Å; D574-K728 CarbonylContact O-C 3.4Å; D574-K728 WeakPolarHBondContact O-CA 3.4Å; Y576-K728 HydrophobicContact CD2-CB 4.4Å; Y576-K728 HydrophobicContact CE2-CB 4Å; Y576-K728 HydrophobicContact CE2-CD 3.87Å; Y576-K728 HydrophobicContact CE2-CG 4.06Å; A682-K728 PolarHBondContact O-N 2.61Å; Y683-K728 CarbonylContact C-O 3.52Å; Y683-K728 WeakPolarHBondContact CA-O 3.35Å; Y683-K728 HydrophobicContact CD1-CB 4.11Å; Y683-K728 HydrophobicContact CD1-CG 4.48Å; Y683-K728 HydrophobicContact CE1-CD 4.22Å; Y683-K728 HydrophobicContact CE1-CG 4.4Å; V684-K728 PolarHBondContact N-O 2.99Å; K728-F730 HydrophobicContact CB-CE2 3.83Å; K728-F730 HydrophobicContact CB-CZ 4.18Å; K728-F730 HydrophobicContact CD-CZ 4.31Å
729	C	93.9	Very high	87.5	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.7	175.3	-176.8	0	0	0	0	109.5	V573 D574 Y576 V684 A718	V573-C729 HydrophobicContact CG1-CB 3.97Å; D574-C729 PolarHBondContact O-N 3.23Å; Y576-C729 PolarHBondContact N-O 3.35Å; V684-C729 HydrophobicContact CB-CB 4.49Å; V684-C729 CarbonylContact O-C 3.6Å; V684-C729 WeakPolarHBondContact O-CA 3.43Å; A718-C729 HydrophobicContact CB-CB 3.96Å
730	F	94.5	Very high	87.8	Confident	14 Å²	14	38.3 Å²	38.3	6%	0.061	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	105.6	179	-61.1	-90.6	0	0	0	109.1	F360 Y576 I596 Y683 V684 I685 D686 K728	F360-F730 HydrophobicContact CD1-CD1 4.13Å; F360-F730 AromaticContact CD2-CD1 3.98Å; F360-F730 HydrophobicContact CD2-CD1 3.98Å; F360-F730 HydrophobicContact CD2-CE1 4.42Å; F360-F730 HydrophobicContact CE1-CB 3.99Å; F360-F730 HydrophobicContact CE1-CD1 4.13Å; F360-F730 AromaticContact CE2-CD1 3.98Å; F360-F730 HydrophobicContact CE2-CD1 3.98Å; F360-F730 HydrophobicContact CG-CD1 4.05Å; F360-F730 HydrophobicContact CZ-CB 4.11Å; F360-F730 HydrophobicContact CZ-CD1 4.06Å; Y576-F730 HydrophobicContact CD2-CD1 4.14Å; Y576-F730 AromaticContact CD2-CE1 3.93Å; Y576-F730 HydrophobicContact CD2-CE1 3.93Å; Y576-F730 HydrophobicContact CD2-CZ 4.32Å; Y576-F730 HydrophobicContact CE2-CE1 4.38Å; Y576-F730 HydrophobicContact CE2-CZ 4.48Å; Y576-F730 HydrophobicContact CG-CD1 4.08Å; Y576-F730 HydrophobicContact CG-CE1 4.05Å; I596-F730 HydrophobicContact CD1-CD2 3.37Å; I596-F730 HydrophobicContact CD1-CE2 3.37Å; I596-F730 HydrophobicContact CD1-CG 4.03Å; I596-F730 HydrophobicContact CD1-CZ 4.03Å; I596-F730 HydrophobicContact CG1-CD2 4.19Å; I596-F730 HydrophobicContact CG1-CE2 3.71Å; I596-F730 HydrophobicContact CG1-CZ 3.92Å; Y683-F730 HydrophobicContact CD1-CE2 4.24Å; V684-F730 PolarHBondContact O-N 2.83Å; I685-F730 WeakPolarHBondContact CA-O 3.2Å; D686-F730 PolarHBondContact N-O 3.33Å; K728-F730 HydrophobicContact CB-CE2 3.83Å; K728-F730 HydrophobicContact CB-CZ 4.18Å; K728-F730 HydrophobicContact CD-CZ 4.31Å
731	R	94.8	Very high	88.1	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	121.6	177.9	-69.1	175.9	168.3	179.8	-2.7	109.3	I575 Y576 Y577 T578 D686 A714 N715 Y733	I575-R731 HydrophobicContact CG2-CG 4.44Å; Y576-R731 WeakPolarHBondContact O-CB 3.37Å; Y576-R731 PolarHBondContact O-N 3.09Å; Y577-R731 HydrophobicContact CD1-CB 3.94Å; Y577-R731 HydrophobicContact CE1-CB 4.27Å; Y577-R731 HydrophobicContact CE1-CG 4.43Å; Y577-R731 PolarHBondContact OH-NH1 2.65Å; T578-R731 PolarHBondContact N-O 2.9Å; D686-R731 HydrophobicContact CB-CG 4.36Å; D686-R731 WeakPolarHBondContact O-CA 3.45Å; A714-R731 PolarHBondContact O-NH2 2.94Å; N715-R731 PolarHBondContact OD1-NH2 3.36Å; N715-R731 VanDerWaalsContact OD1-NH2 3.07Å; R731-Y733 HydrophobicContact CB-CD1 4.14Å; R731-Y733 HydrophobicContact CB-CD2 4.28Å; R731-Y733 HydrophobicContact CB-CE1 3.75Å; R731-Y733 HydrophobicContact CB-CE2 3.92Å; R731-Y733 HydrophobicContact CB-CG 4.39Å; R731-Y733 WeakPolarHBondContact CD-OH 3.49Å; R731-Y733 HydrophobicContact CG-CE1 4.02Å; R731-Y733 HydrophobicContact CG-CE2 4.11Å; R731-Y733 WeakPolarHBondContact CG-OH 3.35Å; R731-Y733 PolarHBondContact NE-OH 2.83Å; R731-Y733 PolarHBondContact O-N 2.91Å
732	L	93.4	Very high	88.4	Confident	7 Å²	7	44.9 Å²	44.9	4%	0.037	22%	0.223	C	C	.	.	S	Bend	trans	-82.4	32.6	-179.9	-50.5	179.9	0	0	0	112.9	F360 T578 A588 C589 I685 D686 P687	F360-L732 HydrophobicContact CE1-CD2 3.96Å; F360-L732 HydrophobicContact CZ-CD2 3.78Å; T578-L732 HydrophobicContact CG2-CB 4.45Å; T578-L732 HydrophobicContact CG2-CD2 4.29Å; A588-L732 HydrophobicContact CB-CD1 3.94Å; C589-L732 HydrophobicContact CB-CD1 4.36Å; C589-L732 WeakPolarHBondContact SG-CD1 2.98Å; I685-L732 HydrophobicContact CG2-CD1 4.13Å; I685-L732 HydrophobicContact CG2-CD2 4.48Å; I685-L732 HydrophobicContact CG2-CG 4.26Å; D686-L732 PolarHBondContact O-N 3.41Å; P687-L732 HydrophobicContact CB-CD1 4.23Å
733	Y	93.4	Very high	89.1	Confident	18 Å²	18	49.6 Å²	49.6	7%	0.071	24%	0.244	C	C	.	.	S	Bend	trans	-142.7	158.3	177.6	48.3	-90	0	0	0	108.9	Y577 T578 D686 G688 A714 R731 Y738 L742	Y577-Y733 WeakPolarHBondContact CB-O 3.34Å; Y577-Y733 HydrophobicContact CD1-CD2 4.41Å; Y577-Y733 HydrophobicContact CD1-CE2 4.47Å; Y577-Y733 WeakPolarHBondContact CD1-O 3.33Å; Y577-Y733 HydrophobicContact CE1-CE2 4.21Å; T578-Y733 PolarHBondContact N-O 3.35Å; T578-Y733 VanDerWaalsContact OG1-C 3.26Å; T578-Y733 WeakPolarHBondContact OG1-CA 3.29Å; T578-Y733 PolarHBondContact OG1-N 3.08Å; T578-Y733 PolarHBondContact OG1-O 3.22Å; D686-Y733 WeakPolarHBondContact O-CE1 3.44Å; D686-Y733 PolarHBondContact OD2-OH 2.95Å; G688-Y733 VanDerWaalsContact CA-CE1 3.5Å; A714-Y733 WeakPolarHBondContact CB-OH 3.39Å; R731-Y733 HydrophobicContact CB-CD1 4.14Å; R731-Y733 HydrophobicContact CB-CD2 4.28Å; R731-Y733 HydrophobicContact CB-CE1 3.75Å; R731-Y733 HydrophobicContact CB-CE2 3.92Å; R731-Y733 HydrophobicContact CB-CG 4.39Å; R731-Y733 WeakPolarHBondContact CD-OH 3.49Å; R731-Y733 HydrophobicContact CG-CE1 4.02Å; R731-Y733 HydrophobicContact CG-CE2 4.11Å; R731-Y733 WeakPolarHBondContact CG-OH 3.35Å; R731-Y733 PolarHBondContact NE-OH 2.83Å; R731-Y733 PolarHBondContact O-N 2.91Å; Y733-Y738 HydrophobicContact CE2-CD2 4.09Å; Y733-Y738 HydrophobicContact CE2-CG 4.42Å; Y733-L742 HydrophobicContact CE2-CD1 4.09Å
734	T	93	Very high	89.8	Confident	22 Å²	22	53 Å²	53	14%	0.135	26%	0.264	C	S	.	.			trans	-72.7	155.1	-176.4	69	0	0	0	0	111.6	W736 A737 Y738	T734-W736 PolarHBondContact O-N 3.3Å; T734-A737 WeakPolarHBondContact O-CB 3.23Å; T734-A737 PolarHBondContact O-N 2.87Å; T734-A737 VanDerWaalsContact O-N 3.16Å; T734-A737 WeakPolarHBondContact OG1-CB 3.43Å; T734-A737 PolarHBondContact OG1-N 2.88Å; T734-A737 VanDerWaalsContact OG1-N 3.08Å; T734-Y738 PolarHBondContact O-N 3.29Å; T734-Y738 VanDerWaalsContact O-N 3.08Å
735	A	91.7	Very high	90.4	Very high	33 Å²	33	53.7 Å²	53.7	27%	0.273	26%	0.264	S	S	.	.	H	α-helix	trans	-59.9	-28.4	172.2	0	0	0	0	0	112.2	Y577 Q739	Y577-A735 HydrophobicContact CD1-CB 4.17Å; Y577-A735 HydrophobicContact CD2-CB 3.92Å; Y577-A735 HydrophobicContact CE1-CB 4.45Å; Y577-A735 HydrophobicContact CE2-CB 4.23Å; Y577-A735 HydrophobicContact CG-CB 3.88Å; A735-Q739 WeakPolarHBondContact O-CG 3.49Å; A735-Q739 PolarHBondContact O-N 3.34Å
736	W	92.2	Very high	90.9	Very high	157 Å²	157	55.1 Å²	55.1	60%	0.595	27%	0.27	S	S	*	.	H	α-helix	trans	-67.8	-46.4	175	-177	87.4	0	0	0	111.7	T734 Y738 Q739 K740 E741	T734-W736 PolarHBondContact O-N 3.3Å; W736-Y738 VanDerWaalsContact C-N 3.33Å; W736-Y738 PolarHBondContact O-N 3.4Å; W736-Q739 PolarHBondContact O-N 2.78Å; W736-Q739 VanDerWaalsContact O-N 3.15Å; W736-K740 HydrophobicContact CZ2-CB 4.33Å; W736-K740 PolarHBondContact O-N 2.77Å; W736-E741 HydrophobicContact CE3-CG 4.39Å; W736-E741 HydrophobicContact CH2-CG 4.33Å; W736-E741 HydrophobicContact CZ3-CG 3.82Å; W736-E741 VanDerWaalsContact CZ3-OE1 3.26Å; W736-E741 WeakPolarHBondContact CZ3-OE1 3.01Å
737	A	92	Very high	91.2	Very high	8 Å²	8	54.1 Å²	54.1	7%	0.066	26%	0.263	C	S	.	.	H	α-helix	trans	-58	-45.9	175	0	0	0	0	0	111.1	T734 Q739 K740 E741 L742	T734-A737 WeakPolarHBondContact O-CB 3.23Å; T734-A737 PolarHBondContact O-N 2.87Å; T734-A737 VanDerWaalsContact O-N 3.16Å; T734-A737 WeakPolarHBondContact OG1-CB 3.43Å; T734-A737 PolarHBondContact OG1-N 2.88Å; T734-A737 VanDerWaalsContact OG1-N 3.08Å; A737-Q739 VanDerWaalsContact C-N 3.3Å; A737-Q739 PolarHBondContact O-N 3.12Å; A737-K740 PolarHBondContact O-N 3.5Å; A737-E741 HydrophobicContact CB-CG 4.49Å; A737-E741 VanDerWaalsContact CB-OE2 3.24Å; A737-E741 WeakPolarHBondContact CB-OE2 3.42Å; A737-E741 WeakPolarHBondContact O-CA 3.47Å; A737-E741 WeakPolarHBondContact O-CB 3.19Å; A737-E741 PolarHBondContact O-N 2.86Å; A737-L742 PolarHBondContact O-N 3.22Å
738	Y	92.3	Very high	91.3	Very high	36 Å²	36	54.5 Å²	54.5	14%	0.141	26%	0.264	C	S	.	.	H	α-helix	trans	-55.6	-41.7	175.5	175.4	-103.8	0	0	0	113.2	Y577 K711 A714 N715 Y733 T734 W736 L742	Y577-Y738 HydrophobicContact CE1-CD1 4.4Å; Y577-Y738 AromaticContact CE1-CG 3.99Å; Y577-Y738 HydrophobicContact CE1-CG 3.99Å; Y577-Y738 WeakPolarHBondContact OH-CD1 3.32Å; K711-Y738 HydrophobicContact CB-CE2 4.08Å; K711-Y738 WeakPolarHBondContact CE-O 3.45Å; K711-Y738 HydrophobicContact CG-CD2 4.43Å; K711-Y738 HydrophobicContact CG-CE2 3.96Å; A714-Y738 HydrophobicContact CB-CD2 4.42Å; A714-Y738 HydrophobicContact CB-CE2 4.05Å; N715-Y738 PolarHBondContact ND2-OH 2.93Å; N715-Y738 VanDerWaalsContact ND2-OH 3.16Å; N715-Y738 PolarHBondContact OD1-OH 3.42Å; N715-Y738 VanDerWaalsContact OD1-OH 3.07Å; Y733-Y738 HydrophobicContact CE2-CD2 4.09Å; Y733-Y738 HydrophobicContact CE2-CG 4.42Å; T734-Y738 PolarHBondContact O-N 3.29Å; T734-Y738 VanDerWaalsContact O-N 3.08Å; W736-Y738 VanDerWaalsContact C-N 3.33Å; W736-Y738 PolarHBondContact O-N 3.4Å; Y738-L742 HydrophobicContact CD2-CD1 3.86Å
739	Q	90.7	Very high	91.1	Very high	121 Å²	121	55.4 Å²	55.4	57%	0.565	27%	0.269	S	S	*	.	H	α-helix	trans	-82.6	-33.8	-175.5	-70.7	178.4	8.8	0	0	113.9	K711 A735 W736 A737	K711-Q739 PolarHBondContact NZ-O 3.49Å; A735-Q739 WeakPolarHBondContact O-CG 3.49Å; A735-Q739 PolarHBondContact O-N 3.34Å; W736-Q739 PolarHBondContact O-N 2.78Å; W736-Q739 VanDerWaalsContact O-N 3.15Å; A737-Q739 VanDerWaalsContact C-N 3.3Å; A737-Q739 PolarHBondContact O-N 3.12Å
740	K	90.8	Very high	91	Very high	149 Å²	149	55.5 Å²	55.5	65%	0.648	27%	0.269	S	S	*	.	H	α-helix	trans	-115.4	-26.7	-167.5	-65.8	-60.5	-176.3	-172.5	0	115.3	W736 A737	W736-K740 HydrophobicContact CZ2-CB 4.33Å; W736-K740 PolarHBondContact O-N 2.77Å; A737-K740 PolarHBondContact O-N 3.5Å
741	E	91	Very high	90.8	Very high	124 Å²	124	58 Å²	58	58%	0.579	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-38.6	-177.2	-62.2	-174.5	148.9	0	0	112.3	W736 A737	W736-E741 HydrophobicContact CE3-CG 4.39Å; W736-E741 HydrophobicContact CH2-CG 4.33Å; W736-E741 HydrophobicContact CZ3-CG 3.82Å; W736-E741 VanDerWaalsContact CZ3-OE1 3.26Å; W736-E741 WeakPolarHBondContact CZ3-OE1 3.01Å; A737-E741 HydrophobicContact CB-CG 4.49Å; A737-E741 VanDerWaalsContact CB-OE2 3.24Å; A737-E741 WeakPolarHBondContact CB-OE2 3.42Å; A737-E741 WeakPolarHBondContact O-CA 3.47Å; A737-E741 WeakPolarHBondContact O-CB 3.19Å; A737-E741 PolarHBondContact O-N 2.86Å
742	L	91.2	Very high	90.5	Very high	19 Å²	19	60 Å²	60	10%	0.099	29%	0.289	C	S	.	.	S	Bend	trans	-74.1	135.8	179.6	-54.6	-174.4	0	0	0	111.5	P708 I709 K711 Y733 A737 Y738	P708-L742 HydrophobicContact CB-CD2 3.99Å; I709-L742 WeakPolarHBondContact O-CD2 3.34Å; K711-L742 VanDerWaalsContact CE-O 3.29Å; K711-L742 WeakPolarHBondContact CE-O 3.42Å; K711-L742 HydrophobicContact CG-CB 3.93Å; Y733-L742 HydrophobicContact CE2-CD1 4.09Å; A737-L742 PolarHBondContact O-N 3.22Å; Y738-L742 HydrophobicContact CD2-CD1 3.86Å
743	E	91.2	Very high	90.1	Very high	102 Å²	102	60.2 Å²	60.2	48%	0.477	29%	0.29	S	S	.	.			trans	-68.5	149.9	171.9	-64.9	177.5	-178	0	0	110.4	S710 K711	S710-E743 CarbonylContact C-O 3.5Å; S710-E743 VanDerWaalsContact CA-O 3.27Å; S710-E743 WeakPolarHBondContact CA-O 3.24Å; S710-E743 WeakPolarHBondContact CB-O 3.22Å; K711-E743 PolarHBondContact N-O 2.81Å
744	D	87.9	Confident	89.8	Confident	105 Å²	105	60.8 Å²	60.8	56%	0.561	30%	0.295	S	S	*	.	S	Bend	trans	-68.4	-38.3	-176	-68	-36.3	0	0	0	112.2	K711 A712	K711-D744 VanDerWaalsContact CD-OD1 3.28Å; K711-D744 WeakPolarHBondContact CD-OD1 3.4Å; K711-D744 WeakPolarHBondContact CE-OD1 3.47Å; K711-D744 IonicContact NZ-OD1 3.89Å; K711-D744 PolarHBondContact NZ-OD1 3.15Å; A712-D744 WeakPolarHBondContact CB-O 3.42Å; A712-D744 PolarHBondContact N-O 3.35Å; A712-D744 VanDerWaalsContact N-O 3.16Å
745	Q	85.3	Confident	89.6	Confident	69 Å²	69	60 Å²	60	32%	0.322	29%	0.289	S	S	.	.	S	Bend	trans	-132.4	153.4	-177.1	-65.4	-64.8	-11	0	0	111	S710 A712	S710-Q745 VanDerWaalsContact CB-C 3.44Å; A712-Q745 VanDerWaalsContact CB-OE1 3.23Å
746	P	86.8	Confident	89.4	Confident	48 Å²	48	58.4 Å²	58.4	31%	0.312	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-72.5	144.3	172.8	31.1	-32.6	0	0	0	111	S710	S710-P746 WeakPolarHBondContact OG-CD 2.98Å
747	V	89	Confident	89.2	Confident	49 Å²	49	53.2 Å²	53.2	30%	0.297	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-62	128.4	172.5	-179.8	0	0	0	0	109.8	Q751 R752	V747-Q751 HydrophobicContact CG1-CB 4.21Å; V747-R752 HydrophobicContact CG1-CG 3.88Å; V747-R752 PolarHBondContact O-NE 2.86Å; V747-R752 PolarHBondContact O-NH2 2.91Å
748	P	89.6	Confident	89	Confident	13 Å²	13	53.1 Å²	53.1	8%	0.084	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-62.4	153	-177.3	27.4	-35.8	0	0	0	111.8	R519 I750 Q751 R752 D777	R519-P748 HydrophobicContact CB-CB 4.11Å; P748-I750 VanDerWaalsContact C-N 3.31Å; P748-I750 HydrophobicContact CB-CG2 4.26Å; P748-I750 HydrophobicContact CG-CG2 4.38Å; P748-I750 PolarHBondContact O-N 3.26Å; P748-Q751 HydrophobicContact CG-CG 4.17Å; P748-Q751 PolarHBondContact O-N 3.21Å; P748-R752 PolarHBondContact O-NE 3.46Å; P748-D777 HydrophobicContact CG-CB 4.01Å
749	E	89.3	Confident	88.9	Confident	70 Å²	70	51.4 Å²	51.4	33%	0.327	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-66.6	-31.5	-174.7	-172.1	174	-157.6	0	0	113	R519 T520 L521 Q751 R752 T753	R519-E749 PolarHBondContact O-N 2.83Å; T520-E749 WeakPolarHBondContact CA-OE2 3.42Å; T520-E749 WeakPolarHBondContact CB-OE2 3.13Å; L521-E749 HydrophobicContact CB-CB 4.46Å; L521-E749 HydrophobicContact CB-CG 4.16Å; L521-E749 PolarHBondContact N-OE2 3.34Å; E749-Q751 PolarHBondContact O-N 2.85Å; E749-Q751 VanDerWaalsContact O-N 3.15Å; E749-R752 PolarHBondContact O-N 3.04Å; E749-T753 HydrophobicContact CG-CG2 3.41Å; E749-T753 VanDerWaalsContact CG-CG2 3.41Å; E749-T753 WeakPolarHBondContact O-CG2 3.43Å; E749-T753 PolarHBondContact O-N 2.86Å; E749-T753 PolarHBondContact O-OG1 2.62Å
750	I	90.5	Very high	89	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-58.2	-26	177.8	-163.9	168.2	0	0	0	114.1	L521 I525 P748 L755 F775 D777 P779	L521-I750 HydrophobicContact CD1-CB 3.89Å; L521-I750 HydrophobicContact CD1-CD1 4.46Å; L521-I750 HydrophobicContact CD1-CG1 3.77Å; I525-I750 HydrophobicContact CD1-CD1 4.23Å; P748-I750 VanDerWaalsContact C-N 3.31Å; P748-I750 HydrophobicContact CB-CG2 4.26Å; P748-I750 HydrophobicContact CG-CG2 4.38Å; P748-I750 PolarHBondContact O-N 3.26Å; I750-L755 HydrophobicContact CG1-CD2 3.97Å; I750-F775 HydrophobicContact CD1-CD1 3.51Å; I750-F775 HydrophobicContact CD1-CE1 3.57Å; I750-F775 HydrophobicContact CD1-CG 4.47Å; I750-D777 WeakPolarHBondContact CG2-O 3.39Å; I750-P779 HydrophobicContact CD1-CG 4.39Å; I750-P779 HydrophobicContact CG1-CB 4.22Å; I750-P779 HydrophobicContact CG1-CG 4.34Å
751	Q	90.2	Very high	88.8	Confident	67 Å²	67	39.8 Å²	39.8	31%	0.313	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-89.1	-8.1	177.9	-67.3	-177.3	-12.8	0	0	113.5	V747 P748 E749 A778	V747-Q751 HydrophobicContact CG1-CB 4.21Å; P748-Q751 HydrophobicContact CG-CG 4.17Å; P748-Q751 PolarHBondContact O-N 3.21Å; E749-Q751 PolarHBondContact O-N 2.85Å; E749-Q751 VanDerWaalsContact O-N 3.15Å; Q751-A778 PolarHBondContact NE2-O 3.16Å
752	R	88.4	Confident	88.7	Confident	42 Å²	42	34 Å²	34	16%	0.158	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.6	3	-170.4	-65.5	-175.1	-70	104.3	-4	114	Q692 N693 S694 Y695 V747 P748 E749	Q692-R752 VanDerWaalsContact NE2-NH2 3.17Å; N693-R752 PolarHBondContact O-NH1 3.42Å; S694-R752 CarbonylContact C-O 3.55Å; Y695-R752 VanDerWaalsContact CB-O 3.24Å; Y695-R752 WeakPolarHBondContact CB-O 3.12Å; Y695-R752 PolarHBondContact N-O 2.69Å; V747-R752 HydrophobicContact CG1-CG 3.88Å; V747-R752 PolarHBondContact O-NE 2.86Å; V747-R752 PolarHBondContact O-NH2 2.91Å; P748-R752 PolarHBondContact O-NE 3.46Å; E749-R752 PolarHBondContact O-N 3.04Å
753	T	86.4	Confident	88.6	Confident	11 Å²	11	34.1 Å²	34.1	7%	0.067	17%	0.173	C	C	.	.	S	Bend	trans	-125	161.6	-173.1	50.2	0	0	0	0	112	E749 L755	E749-T753 HydrophobicContact CG-CG2 3.41Å; E749-T753 VanDerWaalsContact CG-CG2 3.41Å; E749-T753 WeakPolarHBondContact O-CG2 3.43Å; E749-T753 PolarHBondContact O-N 2.86Å; E749-T753 PolarHBondContact O-OG1 2.62Å; T753-L755 PolarHBondContact O-N 2.85Å
754	N	86.4	Confident	88.4	Confident	31 Å²	31	31.1 Å²	31.1	17%	0.166	16%	0.164	C	C	.	.			trans	-70.9	126.3	171.9	-174	-10.7	0	0	0	110.4	Y695 G756	Y695-N754 HydrophobicContact CD2-CB 4.43Å; Y695-N754 HydrophobicContact CE1-CB 4.26Å; Y695-N754 HydrophobicContact CE2-CB 4.15Å; N754-G756 PolarHBondContact OD1-N 2.71Å
755	L	88.7	Confident	88.3	Confident	4 Å²	4	28.1 Å²	28.1	2%	0.021	15%	0.148	C	C	.	.			trans	-89	-3.1	-176.3	-58.8	177	0	0	0	113.9	L521 I750 T753 N757 V758 V759 P779 A783 L784 A787	L521-L755 HydrophobicContact CD1-CD2 3.97Å; I750-L755 HydrophobicContact CG1-CD2 3.97Å; T753-L755 PolarHBondContact O-N 2.85Å; L755-N757 VanDerWaalsContact C-N 3.33Å; L755-N757 PolarHBondContact O-N 3.28Å; L755-V758 PolarHBondContact O-N 3.35Å; L755-V759 HydrophobicContact CB-CG2 4.21Å; L755-V759 WeakPolarHBondContact O-CG2 3.39Å; L755-V759 PolarHBondContact O-N 3.07Å; L755-P779 HydrophobicContact CD1-CB 3.51Å; L755-P779 HydrophobicContact CD1-CG 3.86Å; L755-A783 HydrophobicContact CD1-CB 3.76Å; L755-L784 HydrophobicContact CD1-CD2 3.8Å; L755-L784 HydrophobicContact CD1-CG 4.25Å; L755-A787 HydrophobicContact CB-CB 4.16Å
756	G	87.6	Confident	88.2	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-51.5	-46.3	-174.6	0	0	0	0	0	114.1	N754 L760	N754-G756 PolarHBondContact OD1-N 2.71Å; G756-L760 PolarHBondContact O-N 3.37Å
757	N	87.8	Confident	88.2	Confident	49 Å²	49	26 Å²	26	26%	0.262	15%	0.145	S	C	.	.	H	α-helix	trans	-68.2	-39.2	177.8	-171.5	20.1	0	0	0	112.6	L755 L760 M761	L755-N757 VanDerWaalsContact C-N 3.33Å; L755-N757 PolarHBondContact O-N 3.28Å; N757-L760 PolarHBondContact O-N 3.37Å; N757-M761 WeakPolarHBondContact O-CB 3.41Å; N757-M761 PolarHBondContact O-N 2.84Å
758	V	88.1	Confident	87.9	Confident	5 Å²	5	29.6 Å²	29.6	3%	0.03	16%	0.158	C	C	.	.	H	α-helix	trans	-69	-42	-179.9	169.3	0	0	0	0	111.5	L521 I525 L755 L760 M761 L762	L521-V758 HydrophobicContact CD1-CG2 3.92Å; L521-V758 HydrophobicContact CD2-CG2 3.44Å; L521-V758 VanDerWaalsContact CD2-CG2 3.44Å; L521-V758 HydrophobicContact CG-CG2 3.62Å; I525-V758 HydrophobicContact CD1-CG1 3.55Å; I525-V758 HydrophobicContact CG1-CG1 3.71Å; L755-V758 PolarHBondContact O-N 3.35Å; V758-L760 VanDerWaalsContact C-N 3.31Å; V758-L760 PolarHBondContact O-N 2.73Å; V758-M761 PolarHBondContact O-N 3.32Å; V758-L762 HydrophobicContact CG1-CD1 3.82Å; V758-L762 HydrophobicContact CG1-CG 4.14Å; V758-L762 WeakPolarHBondContact O-CB 3.38Å; V758-L762 WeakPolarHBondContact O-CG 3.37Å; V758-L762 PolarHBondContact O-N 3.13Å
759	V	90.9	Very high	87.7	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-42.3	176.6	172.4	0	0	0	0	110.6	L755 M761 K763 L770 L784 A787 L788 L791	L755-V759 HydrophobicContact CB-CG2 4.21Å; L755-V759 WeakPolarHBondContact O-CG2 3.39Å; L755-V759 PolarHBondContact O-N 3.07Å; V759-M761 VanDerWaalsContact C-N 3.31Å; V759-M761 PolarHBondContact O-N 2.94Å; V759-K763 HydrophobicContact CG1-CG 4.44Å; V759-K763 WeakPolarHBondContact O-CB 3.41Å; V759-K763 VanDerWaalsContact O-CG 3.25Å; V759-K763 WeakPolarHBondContact O-CG 3.48Å; V759-K763 PolarHBondContact O-N 3.17Å; V759-L770 HydrophobicContact CG1-CD1 3.71Å; V759-L770 HydrophobicContact CG2-CD1 4.38Å; V759-L784 HydrophobicContact CG2-CD2 4.11Å; V759-A787 HydrophobicContact CB-CB 4.41Å; V759-A787 HydrophobicContact CG2-CB 3.87Å; V759-L788 HydrophobicContact CG1-CD2 3.65Å; V759-L788 HydrophobicContact CG1-CG 4.2Å; V759-L791 HydrophobicContact CB-CD1 3.85Å; V759-L791 HydrophobicContact CG1-CD1 3.51Å
760	L	91	Very high	87.5	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-58.7	-45.8	174.6	-178.3	62.6	0	0	0	111.2	G756 N757 V758 K763 S764 L791 A796 L803 M810 A811 P817	G756-L760 PolarHBondContact O-N 3.37Å; N757-L760 PolarHBondContact O-N 3.37Å; V758-L760 VanDerWaalsContact C-N 3.31Å; V758-L760 PolarHBondContact O-N 2.73Å; L760-K763 PolarHBondContact O-N 2.97Å; L760-S764 WeakPolarHBondContact O-CB 3.18Å; L760-S764 PolarHBondContact O-N 3.05Å; L760-S764 PolarHBondContact O-OG 2.83Å; L760-L791 HydrophobicContact CB-CD1 4.14Å; L760-L791 HydrophobicContact CB-CD2 4.1Å; L760-L791 HydrophobicContact CD1-CD2 4.34Å; L760-A796 HydrophobicContact CD1-CB 4.21Å; L760-L803 HydrophobicContact CD1-CD1 3.52Å; L760-M810 HydrophobicContact CD2-CB 4.14Å; L760-A811 HydrophobicContact CG-CB 4.23Å; L760-P817 HydrophobicContact CD2-CB 4.42Å; L760-P817 HydrophobicContact CD2-CG 4.07Å
761	M	86.9	Confident	87.2	Confident	23 Å²	23	34.3 Å²	34.3	11%	0.113	19%	0.188	C	C	.	.	H	α-helix	trans	-66.6	-47	-179.8	-173.2	143.4	47.3	0	0	112.6	L496 L500 N757 V758 V759 K763 S764 L765	L496-M761 HydrophobicContact CD2-CE 3.26Å; L496-M761 HydrophobicContact CD2-CG 4.45Å; L496-M761 HydrophobicContact CD2-SD 3.82Å; L496-M761 HydrophobicContact CG-CE 3.82Å; L496-M761 HydrophobicContact CG-CG 4.26Å; L496-M761 HydrophobicContact CG-SD 3.63Å; L500-M761 HydrophobicContact CD1-SD 4.32Å; L500-M761 HydrophobicContact CD2-CG 4.24Å; N757-M761 WeakPolarHBondContact O-CB 3.41Å; N757-M761 PolarHBondContact O-N 2.84Å; V758-M761 PolarHBondContact O-N 3.32Å; V759-M761 VanDerWaalsContact C-N 3.31Å; V759-M761 PolarHBondContact O-N 2.94Å; M761-K763 VanDerWaalsContact C-N 3.32Å; M761-K763 PolarHBondContact O-N 2.78Å; M761-S764 WeakPolarHBondContact CA-OG 3.31Å; M761-S764 PolarHBondContact O-N 3.24Å; M761-S764 VanDerWaalsContact O-N 3.13Å; M761-S764 PolarHBondContact O-OG 3.49Å; M761-L765 WeakPolarHBondContact O-CG 3.24Å; M761-L765 PolarHBondContact O-N 2.91Å
762	L	89	Confident	86.9	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-59	-42.6	175.3	-71.7	173.6	0	0	0	111.8	I525 V758 S764 L765 G766 I767 L770 F773 F775	I525-L762 HydrophobicContact CD1-CD1 4.12Å; I525-L762 HydrophobicContact CD1-CD2 4.41Å; I525-L762 HydrophobicContact CG2-CD2 3.83Å; V758-L762 HydrophobicContact CG1-CD1 3.82Å; V758-L762 HydrophobicContact CG1-CG 4.14Å; V758-L762 WeakPolarHBondContact O-CB 3.38Å; V758-L762 WeakPolarHBondContact O-CG 3.37Å; V758-L762 PolarHBondContact O-N 3.13Å; L762-S764 VanDerWaalsContact C-N 3.34Å; L762-S764 PolarHBondContact O-N 2.98Å; L762-L765 PolarHBondContact O-N 2.89Å; L762-G766 PolarHBondContact O-N 3.36Å; L762-I767 HydrophobicContact CB-CB 4.49Å; L762-I767 HydrophobicContact CD2-CD1 3.67Å; L762-I767 WeakPolarHBondContact O-CB 3.4Å; L762-I767 PolarHBondContact O-N 2.79Å; L762-L770 HydrophobicContact CB-CD2 3.77Å; L762-L770 HydrophobicContact CD1-CD2 3.82Å; L762-L770 HydrophobicContact CG-CD2 4.46Å; L762-F773 HydrophobicContact CD2-CE2 4.43Å; L762-F773 HydrophobicContact CD2-CZ 4.21Å; L762-F775 HydrophobicContact CD1-CZ 4.38Å
763	K	89.4	Confident	86.9	Confident	22 Å²	22	36.7 Å²	36.7	10%	0.096	20%	0.201	C	C	.	.	H	α-helix	trans	-65.2	-37	175.9	-73.7	-75.1	-179.3	172.7	0	112.1	V759 L760 M761 L765 G766 H768 L797 G801	V759-K763 HydrophobicContact CG1-CG 4.44Å; V759-K763 WeakPolarHBondContact O-CB 3.41Å; V759-K763 VanDerWaalsContact O-CG 3.25Å; V759-K763 WeakPolarHBondContact O-CG 3.48Å; V759-K763 PolarHBondContact O-N 3.17Å; L760-K763 PolarHBondContact O-N 2.97Å; M761-K763 VanDerWaalsContact C-N 3.32Å; M761-K763 PolarHBondContact O-N 2.78Å; K763-L765 VanDerWaalsContact C-N 3.31Å; K763-G766 PolarHBondContact O-N 2.84Å; K763-G766 VanDerWaalsContact O-N 3.13Å; K763-H768 PolarHBondContact NZ-O 2.88Å; K763-L797 HydrophobicContact CB-CD2 4.45Å; K763-L797 HydrophobicContact CG-CD2 4.27Å; K763-G801 WeakPolarHBondContact CD-O 3.28Å; K763-G801 WeakPolarHBondContact CE-O 3.24Å; K763-G801 PolarHBondContact NZ-O 2.97Å
764	S	86.8	Confident	86.9	Confident	39 Å²	39	39 Å²	39	27%	0.273	21%	0.213	S	C	.	.	H	α-helix	trans	-68.8	-28	175.3	67.4	0	0	0	0	113.6	L500 L760 M761 L762 G766	L500-S764 WeakPolarHBondContact CD2-OG 3.27Å; L760-S764 WeakPolarHBondContact O-CB 3.18Å; L760-S764 PolarHBondContact O-N 3.05Å; L760-S764 PolarHBondContact O-OG 2.83Å; M761-S764 WeakPolarHBondContact CA-OG 3.31Å; M761-S764 PolarHBondContact O-N 3.24Å; M761-S764 VanDerWaalsContact O-N 3.13Å; M761-S764 PolarHBondContact O-OG 3.49Å; L762-S764 VanDerWaalsContact C-N 3.34Å; L762-S764 PolarHBondContact O-N 2.98Å; S764-G766 PolarHBondContact O-N 2.75Å
765	L	85.4	Confident	87	Confident	43 Å²	43	38.9 Å²	38.9	23%	0.225	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-8.7	171.3	-67.8	170.2	0	0	0	113.3	L496 F499 L500 L529 M761 L762 K763	L496-L765 HydrophobicContact CD1-CD1 4.49Å; F499-L765 HydrophobicContact CB-CD2 3.82Å; F499-L765 WeakPolarHBondContact O-CD2 3.47Å; L500-L765 HydrophobicContact CD2-CD2 3.81Å; L500-L765 HydrophobicContact CD2-CG 3.98Å; L529-L765 HydrophobicContact CD1-CD1 3.6Å; L529-L765 HydrophobicContact CD2-CD1 3.89Å; L529-L765 HydrophobicContact CG-CD1 4.42Å; M761-L765 WeakPolarHBondContact O-CG 3.24Å; M761-L765 PolarHBondContact O-N 2.91Å; L762-L765 PolarHBondContact O-N 2.89Å; K763-L765 VanDerWaalsContact C-N 3.31Å
766	G	83.9	Confident	87	Confident	40 Å²	40	39.6 Å²	39.6	41%	0.412	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.6	11.9	-179.1	0	0	0	0	0	114.6	L762 K763 S764 H768	L762-G766 PolarHBondContact O-N 3.36Å; K763-G766 PolarHBondContact O-N 2.84Å; K763-G766 VanDerWaalsContact O-N 3.13Å; S764-G766 PolarHBondContact O-N 2.75Å; G766-H768 PolarHBondContact O-CD2 3.26Å; G766-H768 VanDerWaalsContact O-CD2 3.25Å; G766-H768 PolarHBondContact O-N 3.2Å
767	I	86.1	Confident	87	Confident	33 Å²	33	41.4 Å²	41.4	17%	0.169	22%	0.224	C	C	.	.			trans	-82.4	99.4	176.5	-61.1	163.7	0	0	0	108.6	L529 L762 L770 F773	L529-I767 HydrophobicContact CD2-CD1 3.51Å; L762-I767 HydrophobicContact CB-CB 4.49Å; L762-I767 HydrophobicContact CD2-CD1 3.67Å; L762-I767 WeakPolarHBondContact O-CB 3.4Å; L762-I767 PolarHBondContact O-N 2.79Å; I767-L770 HydrophobicContact CG2-CD2 4.25Å; I767-F773 HydrophobicContact CD1-CD2 3.91Å; I767-F773 HydrophobicContact CD1-CE2 3.52Å; I767-F773 HydrophobicContact CD1-CZ 4.38Å; I767-F773 HydrophobicContact CG2-CD2 3.9Å
768	H	82.5	Confident	87.1	Confident	123 Å²	123	42 Å²	42	57%	0.569	24%	0.236	S	C	*	.			trans	-80.7	-38.6	-178.7	-64.6	-68.6	0	0	0	112.7	K763 G766 L770	K763-H768 PolarHBondContact NZ-O 2.88Å; G766-H768 PolarHBondContact O-CD2 3.26Å; G766-H768 VanDerWaalsContact O-CD2 3.25Å; G766-H768 PolarHBondContact O-N 3.2Å; H768-L770 PolarHBondContact O-N 3.15Å
769	D	85.3	Confident	87.2	Confident	82 Å²	82	42.2 Å²	42.2	44%	0.439	24%	0.237	S	C	.	.			trans	-93	95.7	179.2	-169.3	-10.8	0	0	0	110.7	V771 H772	D769-V771 VanDerWaalsContact C-N 3.34Å; D769-V771 PolarHBondContact OD1-N 2.9Å; D769-H772 VanDerWaalsContact CG-ND1 3.31Å; D769-H772 IonicContact OD1-CG 3.56Å; D769-H772 PolarHBondContact OD1-N 3.22Å; D769-H772 VanDerWaalsContact OD1-N 3.08Å; D769-H772 IonicContact OD1-ND1 2.85Å; D769-H772 PolarHBondContact OD1-ND1 2.54Å; D769-H772 IonicContact OD2-CE1 3.96Å; D769-H772 IonicContact OD2-CG 3.62Å; D769-H772 IonicContact OD2-ND1 3.87Å; D769-H772 PolarHBondContact OD2-ND1 2.82Å
770	L	85.6	Confident	87.1	Confident	7 Å²	7	44.7 Å²	44.7	4%	0.037	25%	0.253	C	S	.	.	S	Bend	trans	-81.5	-17.3	178.6	-59.3	172	0	0	0	112.4	V759 L762 I767 H768 F775 L788	V759-L770 HydrophobicContact CG1-CD1 3.71Å; V759-L770 HydrophobicContact CG2-CD1 4.38Å; L762-L770 HydrophobicContact CB-CD2 3.77Å; L762-L770 HydrophobicContact CD1-CD2 3.82Å; L762-L770 HydrophobicContact CG-CD2 4.46Å; I767-L770 HydrophobicContact CG2-CD2 4.25Å; H768-L770 PolarHBondContact O-N 3.15Å; L770-F775 WeakPolarHBondContact O-CE2 3.33Å; L770-L788 HydrophobicContact CD1-CD1 4.32Å; L770-L788 HydrophobicContact CD1-CD2 3.9Å; L770-L788 HydrophobicContact CD1-CG 4.34Å
771	V	84.7	Confident	87	Confident	94 Å²	94	51.6 Å²	51.6	57%	0.57	29%	0.286	S	S	*	.	S	Bend	trans	-81	-38.3	-175.5	179.3	0	0	0	0	110.1	D769	D769-V771 VanDerWaalsContact C-N 3.34Å; D769-V771 PolarHBondContact OD1-N 2.9Å
772	H	84.7	Confident	87.1	Confident	143 Å²	143	54.6 Å²	54.6	66%	0.662	30%	0.299	S	S	*	.	S	Bend	trans	-98.6	13.6	177.9	-54.2	96.4	0	0	0	113.4	D769	D769-H772 VanDerWaalsContact CG-ND1 3.31Å; D769-H772 IonicContact OD1-CG 3.56Å; D769-H772 PolarHBondContact OD1-N 3.22Å; D769-H772 VanDerWaalsContact OD1-N 3.08Å; D769-H772 IonicContact OD1-ND1 2.85Å; D769-H772 PolarHBondContact OD1-ND1 2.54Å; D769-H772 IonicContact OD2-CE1 3.96Å; D769-H772 IonicContact OD2-CG 3.62Å; D769-H772 IonicContact OD2-ND1 3.87Å; D769-H772 PolarHBondContact OD2-ND1 2.82Å
773	F	87.2	Confident	87	Confident	17 Å²	17	54.7 Å²	54.7	8%	0.075	30%	0.3	C	S	.	.	S	Bend	trans	-64.4	136.7	171.5	-178	-100.7	0	0	0	109.9	I525 L529 L762 I767 F775	I525-F773 HydrophobicContact CD1-CE1 4.47Å; L529-F773 HydrophobicContact CD2-CE2 4.29Å; L529-F773 HydrophobicContact CD2-CZ 4.36Å; L529-F773 HydrophobicContact CG-CZ 4.39Å; L762-F773 HydrophobicContact CD2-CE2 4.43Å; L762-F773 HydrophobicContact CD2-CZ 4.21Å; I767-F773 HydrophobicContact CD1-CD2 3.91Å; I767-F773 HydrophobicContact CD1-CE2 3.52Å; I767-F773 HydrophobicContact CD1-CZ 4.38Å; I767-F773 HydrophobicContact CG2-CD2 3.9Å; F773-F775 HydrophobicContact CB-CD2 4.23Å; F773-F775 HydrophobicContact CB-CE2 3.78Å; F773-F775 HydrophobicContact CB-CZ 4.15Å; F773-F775 AromaticContact CD1-CD1 3.61Å; F773-F775 HydrophobicContact CD1-CD1 3.61Å; F773-F775 AromaticContact CD1-CD2 3.88Å; F773-F775 HydrophobicContact CD1-CD2 3.88Å; F773-F775 AromaticContact CD1-CE1 3.39Å; F773-F775 HydrophobicContact CD1-CE1 3.39Å; F773-F775 AromaticContact CD1-CE2 3.69Å; F773-F775 HydrophobicContact CD1-CE2 3.69Å; F773-F775 AromaticContact CD1-CG 3.85Å; F773-F775 HydrophobicContact CD1-CG 3.85Å; F773-F775 AromaticContact CD1-CZ 3.44Å; F773-F775 HydrophobicContact CD1-CZ 3.44Å; F773-F775 VanDerWaalsContact CD1-CZ 3.44Å; F773-F775 AromaticContact CE1-CD1 3.91Å; F773-F775 HydrophobicContact CE1-CD1 3.91Å; F773-F775 AromaticContact CE1-CE1 3.78Å; F773-F775 HydrophobicContact CE1-CE1 3.78Å; F773-F775 HydrophobicContact CE1-CG 4.49Å; F773-F775 HydrophobicContact CE1-CZ 4.25Å; F773-F775 HydrophobicContact CG-CE2 4.22Å; F773-F775 HydrophobicContact CG-CZ 4.18Å; F773-F775 VanDerWaalsContact O-CD2 3.25Å; F773-F775 WeakPolarHBondContact O-CD2 3.47Å; F773-F775 PolarHBondContact O-N 2.81Å
774	D	87.5	Confident	87	Confident	60 Å²	60	54.3 Å²	54.3	32%	0.321	30%	0.299	S	S	.	.			trans	-70	72.4	-177	-91.6	12.3	0	0	0	111.1	K531 F557	K531-D774 IonicContact NZ-OD2 2.89Å; K531-D774 PolarHBondContact NZ-OD2 2.84Å; F557-D774 HydrophobicContact CE2-CB 4.48Å; F557-D774 WeakPolarHBondContact CE2-O 3.26Å; F557-D774 HydrophobicContact CZ-CB 4.46Å; F557-D774 VanDerWaalsContact CZ-O 3.25Å; F557-D774 WeakPolarHBondContact CZ-O 3.35Å
775	F	88.4	Confident	87.2	Confident	27 Å²	27	56.8 Å²	56.8	12%	0.118	31%	0.312	C	S	.	.			trans	-77	140.7	169.6	-63.3	-73.5	0	0	0	110.5	I525 I750 L762 L770 F773 D777 A778 P779	I525-F775 HydrophobicContact CD1-CD1 4.28Å; I525-F775 HydrophobicContact CD1-CE1 3.57Å; I750-F775 HydrophobicContact CD1-CD1 3.51Å; I750-F775 HydrophobicContact CD1-CE1 3.57Å; I750-F775 HydrophobicContact CD1-CG 4.47Å; L762-F775 HydrophobicContact CD1-CZ 4.38Å; L770-F775 WeakPolarHBondContact O-CE2 3.33Å; F773-F775 HydrophobicContact CB-CD2 4.23Å; F773-F775 HydrophobicContact CB-CE2 3.78Å; F773-F775 HydrophobicContact CB-CZ 4.15Å; F773-F775 AromaticContact CD1-CD1 3.61Å; F773-F775 HydrophobicContact CD1-CD1 3.61Å; F773-F775 AromaticContact CD1-CD2 3.88Å; F773-F775 HydrophobicContact CD1-CD2 3.88Å; F773-F775 AromaticContact CD1-CE1 3.39Å; F773-F775 HydrophobicContact CD1-CE1 3.39Å; F773-F775 AromaticContact CD1-CE2 3.69Å; F773-F775 HydrophobicContact CD1-CE2 3.69Å; F773-F775 AromaticContact CD1-CG 3.85Å; F773-F775 HydrophobicContact CD1-CG 3.85Å; F773-F775 AromaticContact CD1-CZ 3.44Å; F773-F775 HydrophobicContact CD1-CZ 3.44Å; F773-F775 VanDerWaalsContact CD1-CZ 3.44Å; F773-F775 AromaticContact CE1-CD1 3.91Å; F773-F775 HydrophobicContact CE1-CD1 3.91Å; F773-F775 AromaticContact CE1-CE1 3.78Å; F773-F775 HydrophobicContact CE1-CE1 3.78Å; F773-F775 HydrophobicContact CE1-CG 4.49Å; F773-F775 HydrophobicContact CE1-CZ 4.25Å; F773-F775 HydrophobicContact CG-CE2 4.22Å; F773-F775 HydrophobicContact CG-CZ 4.18Å; F773-F775 VanDerWaalsContact O-CD2 3.25Å; F773-F775 WeakPolarHBondContact O-CD2 3.47Å; F773-F775 PolarHBondContact O-N 2.81Å; F775-D777 VanDerWaalsContact C-N 3.35Å; F775-A778 HydrophobicContact CB-CB 4.31Å; F775-A778 HydrophobicContact CD2-CB 4.35Å; F775-P779 HydrophobicContact CE2-CG 4.44Å; F775-P779 HydrophobicContact CZ-CG 4.48Å
776	L	87.3	Confident	87.3	Confident	20 Å²	20	57.3 Å²	57.3	11%	0.105	32%	0.315	C	S	.	.	S	Bend	trans	-63.8	-43.3	169.8	-178.1	59.2	0	0	0	111.5	R519 F527 K553 F554 F557	R519-L776 VanDerWaalsContact CZ-CD2 3.4Å; F527-L776 HydrophobicContact CD2-CD2 4.19Å; F527-L776 HydrophobicContact CE2-CD2 4.26Å; K553-L776 HydrophobicContact CD-CD1 4.42Å; K553-L776 HydrophobicContact CG-CD1 4.04Å; F554-L776 HydrophobicContact CD1-CD2 4.01Å; F554-L776 HydrophobicContact CE1-CD2 3.71Å; F557-L776 HydrophobicContact CB-CD1 3.56Å; F557-L776 HydrophobicContact CD1-CD1 4.49Å; F557-L776 HydrophobicContact CD2-CB 4.2Å; F557-L776 HydrophobicContact CD2-CD1 3.64Å; F557-L776 HydrophobicContact CE2-CB 4.24Å; F557-L776 HydrophobicContact CE2-CD1 4.49Å; F557-L776 HydrophobicContact CG-CD1 3.63Å
777	D	88.9	Confident	87.6	Confident	37 Å²	37	55.5 Å²	55.5	20%	0.198	30%	0.297	C	S	.	.	S	Bend	trans	-133.9	111.8	169	-69.5	-57.8	0	0	0	107.7	R519 K553 P748 I750 F775	R519-D777 IonicContact CZ-OD2 3.62Å; R519-D777 VanDerWaalsContact CZ-OD2 3.24Å; R519-D777 IonicContact NH1-OD2 3.44Å; R519-D777 PolarHBondContact NH1-OD2 2.96Å; R519-D777 IonicContact NH2-OD2 3.41Å; R519-D777 PolarHBondContact NH2-OD2 3.24Å; K553-D777 IonicContact NZ-OD1 3.41Å; K553-D777 PolarHBondContact NZ-OD1 2.98Å; K553-D777 IonicContact NZ-OD2 3.15Å; K553-D777 PolarHBondContact NZ-OD2 2.83Å; P748-D777 HydrophobicContact CG-CB 4.01Å; I750-D777 WeakPolarHBondContact CG2-O 3.39Å; F775-D777 VanDerWaalsContact C-N 3.35Å
778	A	89.8	Confident	87.8	Confident	62 Å²	62	56.5 Å²	56.5	51%	0.512	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-66.4	142.6	-176.7	0	0	0	0	0	111.7	Q751 F775	Q751-A778 PolarHBondContact NE2-O 3.16Å; F775-A778 HydrophobicContact CB-CB 4.31Å; F775-A778 HydrophobicContact CD2-CB 4.35Å
779	P	90	Very high	88.2	Confident	9 Å²	9	55.1 Å²	55.1	6%	0.058	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-68.3	160.5	169.8	27.3	-32.2	0	0	0	111.7	I750 L755 F775 Q781 L784	I750-P779 HydrophobicContact CD1-CG 4.39Å; I750-P779 HydrophobicContact CG1-CB 4.22Å; I750-P779 HydrophobicContact CG1-CG 4.34Å; L755-P779 HydrophobicContact CD1-CB 3.51Å; L755-P779 HydrophobicContact CD1-CG 3.86Å; F775-P779 HydrophobicContact CE2-CG 4.44Å; F775-P779 HydrophobicContact CZ-CG 4.48Å; P779-Q781 PolarHBondContact O-N 2.9Å; P779-L784 HydrophobicContact CG-CD1 3.98Å; P779-L784 HydrophobicContact CG-CD2 3.97Å; P779-L784 HydrophobicContact CG-CG 3.9Å
780	P	89	Confident	88.4	Confident	53 Å²	53	51.8 Å²	51.8	34%	0.344	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-56.3	135.6	170.1	-22.5	33.6	0	0	0	111.3	F697 E782 A783 L784	F697-P780 HydrophobicContact CE2-CG 4.05Å; F697-P780 HydrophobicContact CZ-CG 4.34Å; P780-E782 PolarHBondContact O-N 3.2Å; P780-A783 HydrophobicContact CB-CB 4.34Å; P780-A783 WeakPolarHBondContact O-CB 3.33Å; P780-A783 PolarHBondContact O-N 2.7Å; P780-L784 PolarHBondContact O-N 3.38Å
781	Q	88.8	Confident	88.7	Confident	148 Å²	148	51.4 Å²	51.4	69%	0.692	28%	0.276	S	S	*	.	H	α-helix	trans	-60.3	-35.9	-180	-67.2	178.9	3.6	0	0	112.2	P779 A783 L784 V785	P779-Q781 PolarHBondContact O-N 2.9Å; Q781-A783 PolarHBondContact O-N 3Å; Q781-L784 PolarHBondContact O-N 3.21Å; Q781-V785 WeakPolarHBondContact O-CG2 3.29Å; Q781-V785 PolarHBondContact O-N 2.77Å
782	E	87.9	Confident	89	Confident	85 Å²	85	53 Å²	53	40%	0.397	27%	0.272	S	S	.	.	H	α-helix	trans	-54.5	-39.7	173.7	-64.1	-176.5	-175.2	0	0	111.5	R698 P780 V785 L786	R698-E782 IonicContact NE-OE2 3.54Å; P780-E782 PolarHBondContact O-N 3.2Å; E782-V785 PolarHBondContact O-N 2.99Å; E782-L786 WeakPolarHBondContact O-CB 3.37Å; E782-L786 WeakPolarHBondContact O-CD1 3.36Å; E782-L786 VanDerWaalsContact O-CG 3.27Å; E782-L786 WeakPolarHBondContact O-CG 3.34Å; E782-L786 PolarHBondContact O-N 3.07Å
783	A	88.5	Confident	89.3	Confident	4 Å²	4	46.4 Å²	46.4	3%	0.033	24%	0.243	C	C	.	.	H	α-helix	trans	-65.9	-42.7	179.3	0	0	0	0	0	112.5	F697 L755 P780 Q781 A787	F697-A783 HydrophobicContact CD1-CB 3.31Å; F697-A783 HydrophobicContact CE1-CB 3.14Å; F697-A783 HydrophobicContact CE2-CB 4.38Å; F697-A783 HydrophobicContact CG-CB 4.06Å; F697-A783 HydrophobicContact CZ-CB 3.73Å; L755-A783 HydrophobicContact CD1-CB 3.76Å; P780-A783 HydrophobicContact CB-CB 4.34Å; P780-A783 WeakPolarHBondContact O-CB 3.33Å; P780-A783 PolarHBondContact O-N 2.7Å; Q781-A783 PolarHBondContact O-N 3Å; A783-A787 WeakPolarHBondContact O-CB 3.08Å; A783-A787 PolarHBondContact O-N 2.76Å
784	L	89.2	Confident	89.5	Confident	15 Å²	15	45.8 Å²	45.8	8%	0.079	24%	0.24	C	C	.	.	H	α-helix	trans	-65.9	-42.4	177.6	-70.6	174.9	0	0	0	111.5	L755 V759 P779 P780 Q781 A787 L788	L755-L784 HydrophobicContact CD1-CD2 3.8Å; L755-L784 HydrophobicContact CD1-CG 4.25Å; V759-L784 HydrophobicContact CG2-CD2 4.11Å; P779-L784 HydrophobicContact CG-CD1 3.98Å; P779-L784 HydrophobicContact CG-CD2 3.97Å; P779-L784 HydrophobicContact CG-CG 3.9Å; P780-L784 PolarHBondContact O-N 3.38Å; Q781-L784 PolarHBondContact O-N 3.21Å; L784-A787 PolarHBondContact O-N 3.06Å; L784-L788 WeakPolarHBondContact O-CG 3.19Å; L784-L788 PolarHBondContact O-N 2.87Å
785	V	90.1	Very high	89.7	Confident	90 Å²	90	44.2 Å²	44.2	55%	0.545	24%	0.238	S	C	.	.	H	α-helix	trans	-63	-46.8	178.3	173.7	0	0	0	0	110.8	Q781 E782 A787 L788 E789	Q781-V785 WeakPolarHBondContact O-CG2 3.29Å; Q781-V785 PolarHBondContact O-N 2.77Å; E782-V785 PolarHBondContact O-N 2.99Å; V785-A787 VanDerWaalsContact C-N 3.34Å; V785-A787 PolarHBondContact O-N 2.9Å; V785-L788 PolarHBondContact O-N 2.92Å; V785-E789 WeakPolarHBondContact O-CB 3.08Å; V785-E789 PolarHBondContact O-N 2.94Å
786	L	88.1	Confident	89.8	Confident	55 Å²	55	42.9 Å²	42.9	29%	0.288	23%	0.232	S	C	.	.	H	α-helix	trans	-63.6	-39.2	178	-71.8	167.2	0	0	0	112.3	F697 E782 E789 Q790	F697-L786 HydrophobicContact CB-CD1 3.89Å; F697-L786 VanDerWaalsContact O-CD1 3.28Å; F697-L786 WeakPolarHBondContact O-CD1 2.97Å; E782-L786 WeakPolarHBondContact O-CB 3.37Å; E782-L786 WeakPolarHBondContact O-CD1 3.36Å; E782-L786 VanDerWaalsContact O-CG 3.27Å; E782-L786 WeakPolarHBondContact O-CG 3.34Å; E782-L786 PolarHBondContact O-N 3.07Å; L786-E789 PolarHBondContact O-N 2.76Å; L786-Q790 WeakPolarHBondContact O-CB 3.36Å; L786-Q790 PolarHBondContact O-N 2.97Å
787	A	90	Very high	90	Very high	2 Å²	2	42.2 Å²	42.2	2%	0.017	23%	0.229	C	C	.	.	H	α-helix	trans	-63.9	-41.5	174.9	0	0	0	0	0	112	L755 V759 A783 L784 V785 Q790 L791	L755-A787 HydrophobicContact CB-CB 4.16Å; V759-A787 HydrophobicContact CB-CB 4.41Å; V759-A787 HydrophobicContact CG2-CB 3.87Å; A783-A787 WeakPolarHBondContact O-CB 3.08Å; A783-A787 PolarHBondContact O-N 2.76Å; L784-A787 PolarHBondContact O-N 3.06Å; V785-A787 VanDerWaalsContact C-N 3.34Å; V785-A787 PolarHBondContact O-N 2.9Å; A787-Q790 PolarHBondContact O-N 2.87Å; A787-L791 WeakPolarHBondContact O-CB 3.41Å; A787-L791 VanDerWaalsContact O-CG 3.3Å; A787-L791 WeakPolarHBondContact O-CG 3.36Å; A787-L791 PolarHBondContact O-N 2.89Å
788	L	91	Very high	90	Very high	53 Å²	53	41.9 Å²	41.9	28%	0.277	23%	0.227	S	C	.	.	H	α-helix	trans	-64.8	-42.4	174.6	-74	169.8	0	0	0	112	V759 L770 L784 V785 L791 Y792 L797	V759-L788 HydrophobicContact CG1-CD2 3.65Å; V759-L788 HydrophobicContact CG1-CG 4.2Å; L770-L788 HydrophobicContact CD1-CD1 4.32Å; L770-L788 HydrophobicContact CD1-CD2 3.9Å; L770-L788 HydrophobicContact CD1-CG 4.34Å; L784-L788 WeakPolarHBondContact O-CG 3.19Å; L784-L788 PolarHBondContact O-N 2.87Å; V785-L788 PolarHBondContact O-N 2.92Å; L788-L791 PolarHBondContact O-N 2.76Å; L788-Y792 VanDerWaalsContact O-CB 3.31Å; L788-Y792 WeakPolarHBondContact O-CB 3.15Å; L788-Y792 PolarHBondContact O-N 3.01Å; L788-L797 HydrophobicContact CD2-CD1 3.55Å
789	E	89.6	Confident	89.8	Confident	95 Å²	95	43.4 Å²	43.4	44%	0.444	22%	0.223	S	C	.	.	H	α-helix	trans	-61.8	-44	176	-173.1	-175.7	167.2	0	0	111.3	V785 L786 Y792 A793	V785-E789 WeakPolarHBondContact O-CB 3.08Å; V785-E789 PolarHBondContact O-N 2.94Å; L786-E789 PolarHBondContact O-N 2.76Å; E789-Y792 PolarHBondContact O-N 2.89Å; E789-A793 WeakPolarHBondContact O-CB 3.11Å; E789-A793 PolarHBondContact O-N 2.86Å
790	Q	89.3	Confident	89.5	Confident	11 Å²	11	48.3 Å²	48.3	5%	0.051	24%	0.241	C	C	.	.	H	α-helix	trans	-61.4	-46.7	176.3	-171.9	-177.1	18	0	0	111.3	L786 A787 A793 L794 M818	L786-Q790 WeakPolarHBondContact O-CB 3.36Å; L786-Q790 PolarHBondContact O-N 2.97Å; A787-Q790 PolarHBondContact O-N 2.87Å; Q790-A793 PolarHBondContact O-N 3.02Å; Q790-L794 HydrophobicContact CG-CD1 4.28Å; Q790-L794 VanDerWaalsContact O-CG 3.31Å; Q790-L794 WeakPolarHBondContact O-CG 3.41Å; Q790-L794 PolarHBondContact O-N 3.39Å; Q790-M818 PolarHBondContact NE2-SD 3.29Å; Q790-M818 VanDerWaalsContact NE2-SD 3.42Å
791	L	92.1	Very high	89.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-67.1	-35.5	178.6	-71.6	173.9	0	0	0	112.8	V759 L760 A787 L788 L794 G795 A796 L797 P817	V759-L791 HydrophobicContact CB-CD1 3.85Å; V759-L791 HydrophobicContact CG1-CD1 3.51Å; L760-L791 HydrophobicContact CB-CD1 4.14Å; L760-L791 HydrophobicContact CB-CD2 4.1Å; L760-L791 HydrophobicContact CD1-CD2 4.34Å; A787-L791 WeakPolarHBondContact O-CB 3.41Å; A787-L791 VanDerWaalsContact O-CG 3.3Å; A787-L791 WeakPolarHBondContact O-CG 3.36Å; A787-L791 PolarHBondContact O-N 2.89Å; L788-L791 PolarHBondContact O-N 2.76Å; L791-L794 PolarHBondContact O-N 3.27Å; L791-G795 PolarHBondContact O-N 2.85Å; L791-A796 HydrophobicContact CB-CB 4.39Å; L791-A796 HydrophobicContact CD2-CB 4.18Å; L791-A796 WeakPolarHBondContact O-CB 3.32Å; L791-A796 PolarHBondContact O-N 3.49Å; L791-L797 HydrophobicContact CB-CD1 3.66Å; L791-L797 HydrophobicContact CB-CG 3.89Å; L791-L797 HydrophobicContact CD1-CD1 4.08Å; L791-L797 PolarHBondContact O-N 3.41Å; L791-P817 HydrophobicContact CD2-CB 3.75Å; L791-P817 HydrophobicContact CD2-CG 3.81Å
792	Y	92.6	Very high	89.2	Confident	126 Å²	126	41.7 Å²	41.7	49%	0.494	21%	0.21	S	C	.	.	H	α-helix	trans	-63.5	-46.4	171.5	177.2	-105.9	0	0	0	110.9	L788 E789 L794 G795 L797 H799	L788-Y792 VanDerWaalsContact O-CB 3.31Å; L788-Y792 WeakPolarHBondContact O-CB 3.15Å; L788-Y792 PolarHBondContact O-N 3.01Å; E789-Y792 PolarHBondContact O-N 2.89Å; Y792-L794 VanDerWaalsContact C-N 3.32Å; Y792-L794 PolarHBondContact O-N 2.98Å; Y792-G795 WeakPolarHBondContact O-CA 3.3Å; Y792-G795 PolarHBondContact O-N 2.88Å; Y792-L797 WeakPolarHBondContact CD2-O 3.28Å; Y792-H799 HydrophobicContact CE2-CB 4.24Å
793	A	90.7	Very high	89.2	Confident	6 Å²	6	38.4 Å²	38.4	5%	0.05	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-36.1	176.2	0	0	0	0	0	112.4	E789 Q790 G795 F943 H1010 Y1011	E789-A793 WeakPolarHBondContact O-CB 3.11Å; E789-A793 PolarHBondContact O-N 2.86Å; Q790-A793 PolarHBondContact O-N 3.02Å; A793-G795 PolarHBondContact O-N 3.08Å; A793-F943 HydrophobicContact CB-CE2 4.26Å; A793-F943 HydrophobicContact CB-CZ 4.11Å; A793-F943 VanDerWaalsContact O-CZ 3.31Å; A793-F943 WeakPolarHBondContact O-CZ 3.43Å; A793-H1010 PolarHBondContact O-NE2 3.21Å; A793-Y1011 HydrophobicContact CB-CD2 4.15Å
794	L	91.7	Very high	89.3	Confident	3 Å²	3	39.5 Å²	39.5	2%	0.016	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-13.8	174	-69.9	169	0	0	0	112.8	Q790 L791 Y792 A796 L806 M810 P817 M818 K821 F943	Q790-L794 HydrophobicContact CG-CD1 4.28Å; Q790-L794 VanDerWaalsContact O-CG 3.31Å; Q790-L794 WeakPolarHBondContact O-CG 3.41Å; Q790-L794 PolarHBondContact O-N 3.39Å; L791-L794 PolarHBondContact O-N 3.27Å; Y792-L794 VanDerWaalsContact C-N 3.32Å; Y792-L794 PolarHBondContact O-N 2.98Å; L794-A796 VanDerWaalsContact C-N 3.32Å; L794-L806 WeakPolarHBondContact O-CD2 2.79Å; L794-M810 HydrophobicContact CD1-CE 4.44Å; L794-P817 HydrophobicContact CD1-CB 3.64Å; L794-M818 HydrophobicContact CD1-CG 4.18Å; L794-M818 HydrophobicContact CD2-CG 4.21Å; L794-K821 HydrophobicContact CD2-CB 4.18Å; L794-K821 HydrophobicContact CD2-CG 4.2Å; L794-K821 WeakPolarHBondContact O-CD 3.24Å; L794-K821 WeakPolarHBondContact O-CE 3.24Å; L794-K821 PolarHBondContact O-NZ 3.25Å; L794-F943 HydrophobicContact CD2-CE1 3.82Å; L794-F943 HydrophobicContact CD2-CZ 4.19Å
795	G	90.2	Very high	89.1	Confident	27 Å²	27	42.1 Å²	42.1	28%	0.278	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	14.5	-174.3	0	0	0	0	0	113.5	L791 Y792 A793 T804 L806	L791-G795 PolarHBondContact O-N 2.85Å; Y792-G795 WeakPolarHBondContact O-CA 3.3Å; Y792-G795 PolarHBondContact O-N 2.88Å; A793-G795 PolarHBondContact O-N 3.08Å; G795-T804 PolarHBondContact O-OG1 3.49Å; G795-L806 WeakPolarHBondContact O-CD2 3.33Å
796	A	91.9	Very high	89.1	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-74.9	-31	175.4	0	0	0	0	0	111.5	L760 L791 L794 T804 G807 M810	L760-A796 HydrophobicContact CD1-CB 4.21Å; L791-A796 HydrophobicContact CB-CB 4.39Å; L791-A796 HydrophobicContact CD2-CB 4.18Å; L791-A796 WeakPolarHBondContact O-CB 3.32Å; L791-A796 PolarHBondContact O-N 3.49Å; L794-A796 VanDerWaalsContact C-N 3.32Å; A796-T804 PolarHBondContact O-N 3.15Å; A796-T804 PolarHBondContact O-OG1 3.45Å; A796-G807 WeakPolarHBondContact O-CA 3.25Å; A796-M810 HydrophobicContact CB-CE 4.13Å; A796-M810 HydrophobicContact CB-SD 4Å
797	L	91.7	Very high	89.1	Confident	6 Å²	6	37.5 Å²	37.5	3%	0.031	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-114	148.2	176.2	-61	176.3	0	0	0	111.3	K763 L788 L791 Y792 E802 L803	K763-L797 HydrophobicContact CB-CD2 4.45Å; K763-L797 HydrophobicContact CG-CD2 4.27Å; L788-L797 HydrophobicContact CD2-CD1 3.55Å; L791-L797 HydrophobicContact CB-CD1 3.66Å; L791-L797 HydrophobicContact CB-CG 3.89Å; L791-L797 HydrophobicContact CD1-CD1 4.08Å; L791-L797 PolarHBondContact O-N 3.41Å; Y792-L797 WeakPolarHBondContact CD2-O 3.28Å; L797-E802 CarbonylContact C-O 3.58Å; L797-E802 VanDerWaalsContact CA-O 3.3Å; L797-E802 WeakPolarHBondContact CA-O 3.4Å; L797-L803 HydrophobicContact CD2-CD1 4.09Å
798	N	88.3	Confident	88.9	Confident	30 Å²	30	39.2 Å²	39.2	16%	0.16	19%	0.19	C	C	.	.			trans	-84.6	177.5	169.4	71.9	11.2	0	0	0	111.5	R800 G801 E802 T804	N798-R800 PolarHBondContact O-N 2.91Å; N798-R800 VanDerWaalsContact O-N 3.13Å; N798-R800 WeakPolarHBondContact OD1-CA 3.34Å; N798-R800 WeakPolarHBondContact OD1-CB 3.31Å; N798-R800 PolarHBondContact OD1-N 3.19Å; N798-G801 PolarHBondContact O-N 3.39Å; N798-G801 PolarHBondContact OD1-N 3.22Å; N798-E802 PolarHBondContact N-O 3.14Å; N798-E802 PolarHBondContact ND2-OE2 2.81Å; N798-E802 VanDerWaalsContact ND2-OE2 3.08Å; N798-E802 PolarHBondContact OD1-N 3.09Å; N798-E802 PolarHBondContact OD1-O 2.69Å; N798-T804 HydrophobicContact CB-CG2 4.17Å
799	H	85.9	Confident	88.8	Confident	94 Å²	94	38.7 Å²	38.7	44%	0.435	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-17.7	179.1	64.8	-75.1	0	0	0	113.9	I166 Y792	I166-H799 WeakPolarHBondContact CG2-CE1 3.45Å; Y792-H799 HydrophobicContact CE2-CB 4.24Å
800	R	83	Confident	88.9	Confident	111 Å²	111	34.1 Å²	34.1	42%	0.419	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-2.4	173.7	-55.1	-168.2	-180	168.3	5.5	113.2	E167 R170 N798 E802	E167-R800 IonicContact OE2-CZ 3.95Å; E167-R800 VanDerWaalsContact OE2-CZ 3.26Å; E167-R800 IonicContact OE2-NH1 3.32Å; E167-R800 PolarHBondContact OE2-NH1 3.31Å; E167-R800 VanDerWaalsContact OE2-NH1 3.09Å; E167-R800 IonicContact OE2-NH2 2.72Å; E167-R800 PolarHBondContact OE2-NH2 3.41Å; R170-R800 VanDerWaalsContact CZ-NH1 3.3Å; N798-R800 PolarHBondContact O-N 2.91Å; N798-R800 VanDerWaalsContact O-N 3.13Å; N798-R800 WeakPolarHBondContact OD1-CA 3.34Å; N798-R800 WeakPolarHBondContact OD1-CB 3.31Å; N798-R800 PolarHBondContact OD1-N 3.19Å; R800-E802 HydrophobicContact CB-CG 4.3Å
801	G	84.5	Confident	88.8	Confident	17 Å²	17	34.3 Å²	34.3	18%	0.175	17%	0.167	C	C	.	.	S	Bend	trans	74.3	24.8	-175.8	0	0	0	0	0	114.1	K763 N798	K763-G801 WeakPolarHBondContact CD-O 3.28Å; K763-G801 WeakPolarHBondContact CE-O 3.24Å; K763-G801 PolarHBondContact NZ-O 2.97Å; N798-G801 PolarHBondContact O-N 3.39Å; N798-G801 PolarHBondContact OD1-N 3.22Å
802	E	86.7	Confident	88.4	Confident	45 Å²	45	36.2 Å²	36.2	21%	0.21	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-95.2	153.2	170.3	-53.5	170.4	148.6	0	0	110.4	R170 L797 N798 R800 T804	R170-E802 IonicContact CZ-OE1 2.82Å; R170-E802 IonicContact CZ-OE2 3.53Å; R170-E802 IonicContact NE-OE1 3.76Å; R170-E802 IonicContact NE-OE2 2.77Å; R170-E802 PolarHBondContact NE-OE2 3.02Å; R170-E802 IonicContact NH2-OE1 3.68Å; R170-E802 PolarHBondContact NH2-OE1 3.48Å; R170-E802 IonicContact NH2-OE2 3.4Å; R170-E802 PolarHBondContact NH2-OE2 3.4Å; L797-E802 CarbonylContact C-O 3.58Å; L797-E802 VanDerWaalsContact CA-O 3.3Å; L797-E802 WeakPolarHBondContact CA-O 3.4Å; N798-E802 PolarHBondContact N-O 3.14Å; N798-E802 PolarHBondContact ND2-OE2 2.81Å; N798-E802 VanDerWaalsContact ND2-OE2 3.08Å; N798-E802 PolarHBondContact OD1-N 3.09Å; N798-E802 PolarHBondContact OD1-O 2.69Å; R800-E802 HydrophobicContact CB-CG 4.3Å; E802-T804 PolarHBondContact O-N 3.27Å
803	L	88.2	Confident	88.1	Confident	17 Å²	17	30.4 Å²	30.4	9%	0.089	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-76.4	124.1	-176.3	-163.9	69.1	0	0	0	111.4	L760 L797 R808	L760-L803 HydrophobicContact CD1-CD1 3.52Å; L797-L803 HydrophobicContact CD2-CD1 4.09Å; L803-R808 HydrophobicContact CB-CG 4.46Å; L803-R808 HydrophobicContact CD2-CB 4.24Å; L803-R808 HydrophobicContact CD2-CG 3.41Å; L803-R808 VanDerWaalsContact CD2-CG 3.41Å; L803-R808 HydrophobicContact CG-CG 3.78Å; L803-R808 PolarHBondContact O-NH2 3.48Å
804	T	90.3	Very high	87.7	Confident	27 Å²	27	30.6 Å²	30.6	17%	0.166	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-77.1	170.3	175.3	68.2	0	0	0	0	111.3	G795 A796 N798 E802 L806 G807 R808	G795-T804 PolarHBondContact O-OG1 3.49Å; A796-T804 PolarHBondContact O-N 3.15Å; A796-T804 PolarHBondContact O-OG1 3.45Å; N798-T804 HydrophobicContact CB-CG2 4.17Å; E802-T804 PolarHBondContact O-N 3.27Å; T804-L806 PolarHBondContact O-N 2.91Å; T804-L806 PolarHBondContact OG1-N 2.68Å; T804-G807 CarbonylContact O-C 3.37Å; T804-G807 WeakPolarHBondContact O-CA 3.29Å; T804-G807 PolarHBondContact O-N 3.03Å; T804-G807 PolarHBondContact OG1-N 2.91Å; T804-R808 PolarHBondContact O-N 3.07Å
805	K	85.6	Confident	87.3	Confident	69 Å²	69	30.6 Å²	30.6	30%	0.3	15%	0.154	S	C	.	.	H	α-helix	trans	-51.5	-45.4	170	-175.5	-163.8	-157.3	153	0	110.9	D173 E176 R808 R809	D173-K805 WeakPolarHBondContact OD1-CA 3.47Å; D173-K805 WeakPolarHBondContact OD1-CB 3.46Å; D173-K805 PolarHBondContact OD1-N 3.4Å; E176-K805 IonicContact OE1-NZ 3.25Å; E176-K805 PolarHBondContact OE1-NZ 3.38Å; E176-K805 WeakPolarHBondContact OE2-CD 3.04Å; E176-K805 WeakPolarHBondContact OE2-CE 3.12Å; E176-K805 IonicContact OE2-NZ 2.73Å; E176-K805 PolarHBondContact OE2-NZ 3.44Å; K805-R808 PolarHBondContact O-N 2.76Å; K805-R809 WeakPolarHBondContact O-CG 3.5Å; K805-R809 PolarHBondContact O-N 3.17Å
806	L	89.4	Confident	87.2	Confident	48 Å²	48	31.9 Å²	31.9	25%	0.251	15%	0.154	S	C	.	.	H	α-helix	trans	-64.1	-44.1	176.8	-178.4	128	0	0	0	110.7	L794 G795 T804 R808 R809 M810 K821	L794-L806 WeakPolarHBondContact O-CD2 2.79Å; G795-L806 WeakPolarHBondContact O-CD2 3.33Å; T804-L806 PolarHBondContact O-N 2.91Å; T804-L806 PolarHBondContact OG1-N 2.68Å; L806-R808 PolarHBondContact O-N 2.92Å; L806-R809 PolarHBondContact O-N 3.49Å; L806-M810 HydrophobicContact CD2-CG 4.37Å; L806-M810 HydrophobicContact CD2-SD 3.29Å; L806-M810 WeakPolarHBondContact CD2-SD 3.38Å; L806-M810 HydrophobicContact CG-CG 4.47Å; L806-M810 HydrophobicContact CG-SD 3.98Å; L806-M810 WeakPolarHBondContact O-CB 3.41Å; L806-M810 WeakPolarHBondContact O-CG 3.42Å; L806-M810 PolarHBondContact O-N 2.76Å; L806-K821 HydrophobicContact CD1-CD 4.08Å; L806-K821 HydrophobicContact CD2-CD 3.9Å; L806-K821 HydrophobicContact CG-CD 4.49Å
807	G	89.5	Confident	87.2	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.7	-41	175.1	0	0	0	0	0	113.8	A796 T804 M810 A811	A796-G807 WeakPolarHBondContact O-CA 3.25Å; T804-G807 CarbonylContact O-C 3.37Å; T804-G807 WeakPolarHBondContact O-CA 3.29Å; T804-G807 PolarHBondContact O-N 3.03Å; T804-G807 PolarHBondContact OG1-N 2.91Å; G807-M810 PolarHBondContact O-N 3.06Å; G807-A811 WeakPolarHBondContact O-CB 3.36Å; G807-A811 PolarHBondContact O-N 3.01Å
808	R	85.8	Confident	87.2	Confident	39 Å²	39	32 Å²	32	15%	0.147	16%	0.155	C	C	.	.	H	α-helix	trans	-65	-44.8	176.3	-71.4	177	-151.2	136.1	7.5	112	D173 R177 L803 T804 K805 L806 M810 A811 E812	D173-R808 PolarHBondContact O-NH1 2.89Å; D173-R808 IonicContact OD2-CZ 3.83Å; D173-R808 VanDerWaalsContact OD2-CZ 3.3Å; D173-R808 IonicContact OD2-NH1 3.09Å; D173-R808 PolarHBondContact OD2-NH1 3.46Å; D173-R808 IonicContact OD2-NH2 3.86Å; D173-R808 PolarHBondContact OD2-NH2 2.88Å; R177-R808 VanDerWaalsContact CG-NH1 3.25Å; L803-R808 HydrophobicContact CB-CG 4.46Å; L803-R808 HydrophobicContact CD2-CB 4.24Å; L803-R808 HydrophobicContact CD2-CG 3.41Å; L803-R808 VanDerWaalsContact CD2-CG 3.41Å; L803-R808 HydrophobicContact CG-CG 3.78Å; L803-R808 PolarHBondContact O-NH2 3.48Å; T804-R808 PolarHBondContact O-N 3.07Å; K805-R808 PolarHBondContact O-N 2.76Å; L806-R808 PolarHBondContact O-N 2.92Å; R808-M810 VanDerWaalsContact C-N 3.3Å; R808-M810 PolarHBondContact O-N 2.97Å; R808-A811 PolarHBondContact O-N 3.2Å; R808-E812 PolarHBondContact O-N 3.15Å
809	R	88.3	Confident	87.4	Confident	41 Å²	41	31.1 Å²	31.1	16%	0.155	15%	0.15	C	C	.	.	H	α-helix	trans	-62	-40.1	174.2	-70	-174.5	170.7	-166.5	-7.6	111.3	K805 L806 A811 E812 F813 M824 V920	K805-R809 WeakPolarHBondContact O-CG 3.5Å; K805-R809 PolarHBondContact O-N 3.17Å; L806-R809 PolarHBondContact O-N 3.49Å; R809-A811 VanDerWaalsContact C-N 3.35Å; R809-A811 PolarHBondContact O-N 2.96Å; R809-E812 PolarHBondContact O-N 3.43Å; R809-F813 WeakPolarHBondContact O-CD2 3.45Å; R809-F813 WeakPolarHBondContact O-CE2 2.81Å; R809-M824 HydrophobicContact CB-SD 3.92Å; R809-V920 HydrophobicContact CB-CG1 3.73Å; R809-V920 HydrophobicContact CG-CG1 3.67Å
810	M	90.8	Very high	87.7	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.6	-36.1	176.2	-73.7	172.9	58.8	0	0	113	L760 L794 A796 L806 G807 R808 E812 F813 P817 K821 M824	L760-M810 HydrophobicContact CD2-CB 4.14Å; L794-M810 HydrophobicContact CD1-CE 4.44Å; A796-M810 HydrophobicContact CB-CE 4.13Å; A796-M810 HydrophobicContact CB-SD 4Å; L806-M810 HydrophobicContact CD2-CG 4.37Å; L806-M810 HydrophobicContact CD2-SD 3.29Å; L806-M810 WeakPolarHBondContact CD2-SD 3.38Å; L806-M810 HydrophobicContact CG-CG 4.47Å; L806-M810 HydrophobicContact CG-SD 3.98Å; L806-M810 WeakPolarHBondContact O-CB 3.41Å; L806-M810 WeakPolarHBondContact O-CG 3.42Å; L806-M810 PolarHBondContact O-N 2.76Å; G807-M810 PolarHBondContact O-N 3.06Å; R808-M810 VanDerWaalsContact C-N 3.3Å; R808-M810 PolarHBondContact O-N 2.97Å; M810-E812 VanDerWaalsContact C-N 3.26Å; M810-E812 PolarHBondContact O-N 3.02Å; M810-F813 PolarHBondContact O-N 2.75Å; M810-F813 VanDerWaalsContact O-N 3.16Å; M810-P817 HydrophobicContact CE-CB 3.79Å; M810-P817 WeakPolarHBondContact CE-O 3.37Å; M810-K821 HydrophobicContact CE-CB 4.19Å; M810-K821 HydrophobicContact SD-CB 4.3Å; M810-K821 HydrophobicContact SD-CD 4.3Å; M810-M824 HydrophobicContact CG-CG 4.14Å
811	A	88	Confident	88.2	Confident	15 Å²	15	23.2 Å²	23.2	12%	0.124	12%	0.117	C	C	.	.	H	α-helix	trans	-67.5	-23.1	-179.8	0	0	0	0	0	113.6	L760 G807 R808 R809 F813	L760-A811 HydrophobicContact CG-CB 4.23Å; G807-A811 WeakPolarHBondContact O-CB 3.36Å; G807-A811 PolarHBondContact O-N 3.01Å; R808-A811 PolarHBondContact O-N 3.2Å; R809-A811 VanDerWaalsContact C-N 3.35Å; R809-A811 PolarHBondContact O-N 2.96Å; A811-F813 VanDerWaalsContact C-N 3.26Å; A811-F813 PolarHBondContact O-N 2.86Å
812	E	84.3	Confident	88.6	Confident	39 Å²	39	22.4 Å²	22.4	18%	0.182	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-25.7	173.1	-69.9	-67.9	147.6	0	0	112.5	R808 R809 M810 R919 V920	R808-E812 PolarHBondContact O-N 3.15Å; R809-E812 PolarHBondContact O-N 3.43Å; M810-E812 VanDerWaalsContact C-N 3.26Å; M810-E812 PolarHBondContact O-N 3.02Å; E812-R919 IonicContact OE2-CZ 3.94Å; E812-R919 IonicContact OE2-NH1 2.69Å; E812-R919 PolarHBondContact OE2-NH1 3.06Å; E812-V920 HydrophobicContact CB-CG2 3.91Å; E812-V920 HydrophobicContact CG-CG2 4.21Å
813	F	86.1	Confident	88.9	Confident	5 Å²	5	20.2 Å²	20.2	2%	0.022	10%	0.099	C	C	.	.	S	Bend	trans	-82.8	135.2	-179.7	-67.5	-82.3	0	0	0	111.4	R809 M810 A811 T815 S820 L823 M824 L913 L916 M917 V920 I922	R809-F813 WeakPolarHBondContact O-CD2 3.45Å; R809-F813 WeakPolarHBondContact O-CE2 2.81Å; M810-F813 PolarHBondContact O-N 2.75Å; M810-F813 VanDerWaalsContact O-N 3.16Å; A811-F813 VanDerWaalsContact C-N 3.26Å; A811-F813 PolarHBondContact O-N 2.86Å; F813-T815 PolarHBondContact O-N 3.23Å; F813-S820 WeakPolarHBondContact CB-OG 3.23Å; F813-L823 HydrophobicContact CD1-CD1 4.1Å; F813-L823 HydrophobicContact CE1-CD1 4.42Å; F813-M824 HydrophobicContact CD2-CE 3.83Å; F813-M824 HydrophobicContact CE1-CE 4.35Å; F813-M824 HydrophobicContact CE2-CE 3.03Å; F813-M824 HydrophobicContact CE2-SD 3.89Å; F813-M824 HydrophobicContact CZ-CE 3.35Å; F813-L913 HydrophobicContact CD1-CD2 3.92Å; F813-L916 HydrophobicContact CD1-CB 4.26Å; F813-L916 HydrophobicContact CD1-CD1 4.49Å; F813-L916 HydrophobicContact CE1-CB 3.9Å; F813-M917 HydrophobicContact CE1-CG 3.96Å; F813-M917 HydrophobicContact CZ-CG 4.14Å; F813-V920 HydrophobicContact CE2-CB 4.29Å; F813-V920 HydrophobicContact CE2-CG1 4.19Å; F813-V920 HydrophobicContact CE2-CG2 3.82Å; F813-V920 HydrophobicContact CZ-CB 4.2Å; F813-V920 HydrophobicContact CZ-CG1 4.46Å; F813-V920 HydrophobicContact CZ-CG2 3.94Å; F813-I922 HydrophobicContact CZ-CD1 4.45Å
814	P	81.8	Confident	89	Confident	9 Å²	9	20.4 Å²	20.4	6%	0.058	10%	0.099	C	C	.	.	S	Bend	trans	-76.1	17.7	-179.7	36.1	-41.4	0	0	0	113.3	R476 F477 R497 L913 L916	R476-P814 PolarHBondContact NH1-O 3.32Å; R476-P814 PolarHBondContact NH2-O 2.86Å; F477-P814 HydrophobicContact CE1-CG 4.29Å; R497-P814 VanDerWaalsContact CZ-CB 3.5Å; P814-L913 HydrophobicContact CG-CD2 4.32Å; P814-L916 VanDerWaalsContact CD-CD1 3.44Å; P814-L916 HydrophobicContact CG-CD1 4.14Å
815	T	83.4	Confident	89.1	Confident	4 Å²	4	19.7 Å²	19.7	3%	0.025	10%	0.096	C	C	.	.	S	Bend	trans	-112.6	168.2	-167	48.5	0	0	0	0	112	F813 M819 S820 L913	F813-T815 PolarHBondContact O-N 3.23Å; T815-M819 HydrophobicContact CG2-CG 4.5Å; T815-M819 HydrophobicContact CG2-SD 3.68Å; T815-S820 PolarHBondContact O-OG 3.48Å; T815-S820 PolarHBondContact OG1-OG 3.32Å; T815-L913 HydrophobicContact CG2-CD2 4.38Å
816	D	87.9	Confident	89.4	Confident	53 Å²	53	16.4 Å²	16.4	28%	0.283	8%	0.082	S	C	.	.			trans	-55.9	141.2	172.3	-173.6	-77.6	0	0	0	110.5	M818 M819 S820	D816-M818 PolarHBondContact O-N 2.78Å; D816-M818 VanDerWaalsContact O-N 3.1Å; D816-M818 WeakPolarHBondContact OD1-CB 3.2Å; D816-M818 WeakPolarHBondContact OD1-CE 3.22Å; D816-M818 PolarHBondContact OD1-N 3.47Å; D816-M819 HydrophobicContact CB-CB 4.49Å; D816-M819 WeakPolarHBondContact O-CA 3.38Å; D816-M819 WeakPolarHBondContact O-CB 3.33Å; D816-M819 PolarHBondContact O-N 2.91Å; D816-S820 PolarHBondContact O-N 2.98Å; D816-S820 PolarHBondContact O-OG 3.35Å
817	P	91.4	Very high	89.4	Confident	1 Å²	1	18.1 Å²	18.1	1%	0.006	9%	0.089	C	C	.	.	H	α-helix	trans	-48.6	-36.8	177.6	-29.5	35.1	0	0	0	114.6	L760 L791 L794 M810 S820 K821	L760-P817 HydrophobicContact CD2-CB 4.42Å; L760-P817 HydrophobicContact CD2-CG 4.07Å; L791-P817 HydrophobicContact CD2-CB 3.75Å; L791-P817 HydrophobicContact CD2-CG 3.81Å; L794-P817 HydrophobicContact CD1-CB 3.64Å; M810-P817 HydrophobicContact CE-CB 3.79Å; M810-P817 WeakPolarHBondContact CE-O 3.37Å; P817-S820 PolarHBondContact O-N 3.21Å; P817-K821 WeakPolarHBondContact O-CB 3.18Å; P817-K821 PolarHBondContact O-N 3.28Å
818	M	92.3	Very high	89.4	Confident	8 Å²	8	25.8 Å²	25.8	4%	0.039	12%	0.122	C	C	.	.	H	α-helix	trans	-65.2	-41.4	177.1	-68.1	178.8	-77.7	0	0	111.9	Q790 L794 D816 K821 M822 G941 Y942 H945	Q790-M818 PolarHBondContact NE2-SD 3.29Å; Q790-M818 VanDerWaalsContact NE2-SD 3.42Å; L794-M818 HydrophobicContact CD1-CG 4.18Å; L794-M818 HydrophobicContact CD2-CG 4.21Å; D816-M818 PolarHBondContact O-N 2.78Å; D816-M818 VanDerWaalsContact O-N 3.1Å; D816-M818 WeakPolarHBondContact OD1-CB 3.2Å; D816-M818 WeakPolarHBondContact OD1-CE 3.22Å; D816-M818 PolarHBondContact OD1-N 3.47Å; M818-K821 PolarHBondContact O-N 3.43Å; M818-M822 PolarHBondContact O-N 3.41Å; M818-G941 WeakPolarHBondContact CB-O 3.42Å; M818-G941 VanDerWaalsContact O-CA 3.23Å; M818-G941 WeakPolarHBondContact O-CA 2.82Å; M818-Y942 HydrophobicContact CB-CD1 4.22Å; M818-Y942 HydrophobicContact CB-CE1 3.99Å; M818-Y942 HydrophobicContact SD-CD1 4.33Å; M818-H945 VanDerWaalsContact CE-CE1 3.48Å; M818-H945 WeakPolarHBondContact CE-CE1 3.4Å
819	M	92.2	Very high	89.6	Confident	11 Å²	11	25.9 Å²	25.9	5%	0.054	12%	0.123	C	C	.	.	H	α-helix	trans	-70.9	-40.3	176.9	-169.5	-178.2	-61.6	0	0	111.6	T815 D816 K821 M822 L823 A839 L842	T815-M819 HydrophobicContact CG2-CG 4.5Å; T815-M819 HydrophobicContact CG2-SD 3.68Å; D816-M819 HydrophobicContact CB-CB 4.49Å; D816-M819 WeakPolarHBondContact O-CA 3.38Å; D816-M819 WeakPolarHBondContact O-CB 3.33Å; D816-M819 PolarHBondContact O-N 2.91Å; M819-K821 VanDerWaalsContact C-N 3.29Å; M819-K821 PolarHBondContact O-N 3Å; M819-M822 HydrophobicContact CG-CE 4.05Å; M819-M822 WeakPolarHBondContact O-CB 3.45Å; M819-M822 PolarHBondContact O-N 3.37Å; M819-L823 PolarHBondContact O-N 2.84Å; M819-A839 HydrophobicContact CG-CB 4.08Å; M819-A839 HydrophobicContact SD-CB 4.07Å; M819-L842 HydrophobicContact CE-CB 4.15Å
820	S	92.4	Very high	89.7	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.4	-41.9	174.1	-55.7	0	0	0	0	110.6	F813 T815 D816 P817 M822 L823 M824	F813-S820 WeakPolarHBondContact CB-OG 3.23Å; T815-S820 PolarHBondContact O-OG 3.48Å; T815-S820 PolarHBondContact OG1-OG 3.32Å; D816-S820 PolarHBondContact O-N 2.98Å; D816-S820 PolarHBondContact O-OG 3.35Å; P817-S820 PolarHBondContact O-N 3.21Å; S820-M822 PolarHBondContact O-N 3.02Å; S820-L823 PolarHBondContact O-N 2.88Å; S820-M824 WeakPolarHBondContact O-CG 3.39Å; S820-M824 PolarHBondContact O-N 3.06Å
821	K	93.1	Very high	89.7	Confident	39 Å²	39	29.4 Å²	29.4	17%	0.17	14%	0.139	C	C	.	.	H	α-helix	trans	-63.2	-40.4	175.2	-178.7	69.3	179.6	-156.4	0	112.5	L794 L806 M810 P817 M818 M819 M824 A825 A940	L794-K821 HydrophobicContact CD2-CB 4.18Å; L794-K821 HydrophobicContact CD2-CG 4.2Å; L794-K821 WeakPolarHBondContact O-CD 3.24Å; L794-K821 WeakPolarHBondContact O-CE 3.24Å; L794-K821 PolarHBondContact O-NZ 3.25Å; L806-K821 HydrophobicContact CD1-CD 4.08Å; L806-K821 HydrophobicContact CD2-CD 3.9Å; L806-K821 HydrophobicContact CG-CD 4.49Å; M810-K821 HydrophobicContact CE-CB 4.19Å; M810-K821 HydrophobicContact SD-CB 4.3Å; M810-K821 HydrophobicContact SD-CD 4.3Å; P817-K821 WeakPolarHBondContact O-CB 3.18Å; P817-K821 PolarHBondContact O-N 3.28Å; M818-K821 PolarHBondContact O-N 3.43Å; M819-K821 VanDerWaalsContact C-N 3.29Å; M819-K821 PolarHBondContact O-N 3Å; K821-M824 PolarHBondContact O-N 3.38Å; K821-A825 WeakPolarHBondContact O-CB 3.33Å; K821-A825 PolarHBondContact O-N 2.72Å; K821-A940 VanDerWaalsContact CG-O 3.28Å; K821-A940 WeakPolarHBondContact CG-O 3.38Å
822	M	93.9	Very high	89.9	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.6	-45.1	174.7	179.1	-176.8	73.6	0	0	111.4	M818 M819 S820 M824 A825 S826 I835 A839 L842 I938 Y942	M818-M822 PolarHBondContact O-N 3.41Å; M819-M822 HydrophobicContact CG-CE 4.05Å; M819-M822 WeakPolarHBondContact O-CB 3.45Å; M819-M822 PolarHBondContact O-N 3.37Å; S820-M822 PolarHBondContact O-N 3.02Å; M822-M824 VanDerWaalsContact C-N 3.32Å; M822-M824 PolarHBondContact O-N 3.32Å; M822-A825 PolarHBondContact O-N 2.79Å; M822-S826 PolarHBondContact O-N 2.67Å; M822-S826 VanDerWaalsContact O-N 3.12Å; M822-I835 HydrophobicContact CE-CG2 3.99Å; M822-I835 HydrophobicContact CG-CD1 4.26Å; M822-I835 HydrophobicContact CG-CG2 3.7Å; M822-I835 HydrophobicContact SD-CD1 4.4Å; M822-I835 HydrophobicContact SD-CG2 4.28Å; M822-A839 HydrophobicContact CE-CB 3.82Å; M822-L842 HydrophobicContact CE-CD1 4.41Å; M822-I938 HydrophobicContact CG-CG1 4.47Å; M822-I938 HydrophobicContact SD-CB 4.3Å; M822-I938 HydrophobicContact SD-CG1 3.74Å; M822-Y942 HydrophobicContact SD-CD2 4.26Å; M822-Y942 HydrophobicContact SD-CE2 3.9Å
823	L	92.8	Very high	90.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.6	-34.7	174.6	-71.5	166	0	0	0	112.4	F813 M819 S820 S826 I835 L836 A839 L913 M917	F813-L823 HydrophobicContact CD1-CD1 4.1Å; F813-L823 HydrophobicContact CE1-CD1 4.42Å; M819-L823 PolarHBondContact O-N 2.84Å; S820-L823 PolarHBondContact O-N 2.88Å; L823-S826 PolarHBondContact O-OG 3.48Å; L823-I835 HydrophobicContact CD2-CG2 4.09Å; L823-L836 HydrophobicContact CD2-CD1 4.5Å; L823-A839 HydrophobicContact CD1-CB 4.36Å; L823-A839 HydrophobicContact CD2-CB 3.96Å; L823-A839 HydrophobicContact CG-CB 4.27Å; L823-L913 HydrophobicContact CD1-CD2 4.34Å; L823-M917 HydrophobicContact CD2-SD 4.34Å
824	M	90.7	Very high	90.7	Very high	20 Å²	20	30.5 Å²	30.5	10%	0.099	14%	0.141	C	C	.	.	H	α-helix	trans	-72.1	-37.3	175.7	-62.4	-53.6	86.2	0	0	111.5	R809 M810 F813 S820 K821 M822 S826 V920 I922	R809-M824 HydrophobicContact CB-SD 3.92Å; M810-M824 HydrophobicContact CG-CG 4.14Å; F813-M824 HydrophobicContact CD2-CE 3.83Å; F813-M824 HydrophobicContact CE1-CE 4.35Å; F813-M824 HydrophobicContact CE2-CE 3.03Å; F813-M824 HydrophobicContact CE2-SD 3.89Å; F813-M824 HydrophobicContact CZ-CE 3.35Å; S820-M824 WeakPolarHBondContact O-CG 3.39Å; S820-M824 PolarHBondContact O-N 3.06Å; K821-M824 PolarHBondContact O-N 3.38Å; M822-M824 VanDerWaalsContact C-N 3.32Å; M822-M824 PolarHBondContact O-N 3.32Å; M824-S826 VanDerWaalsContact C-N 3.27Å; M824-S826 PolarHBondContact O-N 2.83Å; M824-V920 HydrophobicContact SD-CG1 4.19Å; M824-I922 HydrophobicContact CE-CD1 3.06Å; M824-I922 HydrophobicContact SD-CD1 3.56Å; M824-I922 VanDerWaalsContact SD-CD1 3.56Å
825	A	91.6	Very high	91.3	Very high	12 Å²	12	30 Å²	30	10%	0.099	14%	0.139	C	C	.	.	H	α-helix	trans	-72.7	-20.6	-178.7	0	0	0	0	0	113	K821 M822 E827 K828 Y829 A940	K821-A825 WeakPolarHBondContact O-CB 3.33Å; K821-A825 PolarHBondContact O-N 2.72Å; M822-A825 PolarHBondContact O-N 2.79Å; A825-E827 PolarHBondContact O-N 2.9Å; A825-K828 WeakPolarHBondContact O-CB 3.39Å; A825-K828 PolarHBondContact O-N 3.2Å; A825-K828 VanDerWaalsContact O-N 3.17Å; A825-Y829 VanDerWaalsContact O-CD2 3.29Å; A825-Y829 WeakPolarHBondContact O-CD2 3.26Å; A825-Y829 PolarHBondContact O-N 2.82Å; A825-A940 HydrophobicContact CB-CB 3.44Å; A825-A940 VanDerWaalsContact CB-CB 3.44Å
826	S	91.8	Very high	91.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-63.9	-29.5	-179.4	66.8	0	0	0	0	113.2	M822 L823 M824 Y829 K830 C831 S832	M822-S826 PolarHBondContact O-N 2.67Å; M822-S826 VanDerWaalsContact O-N 3.12Å; L823-S826 PolarHBondContact O-OG 3.48Å; M824-S826 VanDerWaalsContact C-N 3.27Å; M824-S826 PolarHBondContact O-N 2.83Å; S826-Y829 CarbonylContact O-C 3.49Å; S826-Y829 PolarHBondContact O-N 2.94Å; S826-K830 PolarHBondContact O-N 3.36Å; S826-C831 PolarHBondContact O-N 3.05Å; S826-S832 WeakPolarHBondContact OG-CA 3.4Å
827	E	89.7	Confident	92.1	Very high	85 Å²	85	27.5 Å²	27.5	40%	0.397	13%	0.125	S	C	.	.	H	α-helix	trans	-60.4	-46.2	173.7	-169.8	-173.3	171.4	0	0	110.8	A825 Y829 K830 I922	A825-E827 PolarHBondContact O-N 2.9Å; E827-Y829 PolarHBondContact O-N 3.15Å; E827-K830 PolarHBondContact O-N 3.05Å; E827-I922 HydrophobicContact CB-CG2 4.09Å; E827-I922 HydrophobicContact CG-CG2 4.36Å
828	K	89.6	Confident	92.2	Very high	160 Å²	160	27.4 Å²	27.4	70%	0.696	13%	0.125	S	C	*	.	H	α-helix	trans	-61.4	-32.7	179.5	-174.7	-180	177.7	-176.1	0	112.5	A825	A825-K828 WeakPolarHBondContact O-CB 3.39Å; A825-K828 PolarHBondContact O-N 3.2Å; A825-K828 VanDerWaalsContact O-N 3.17Å
829	Y	90.1	Very high	92.2	Very high	42 Å²	42	27 Å²	27	17%	0.165	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	5.1	-178.4	-63.1	-66.2	0	0	0	113.8	A825 S826 E827 C831 K936 A937	A825-Y829 VanDerWaalsContact O-CD2 3.29Å; A825-Y829 WeakPolarHBondContact O-CD2 3.26Å; A825-Y829 PolarHBondContact O-N 2.82Å; S826-Y829 CarbonylContact O-C 3.49Å; S826-Y829 PolarHBondContact O-N 2.94Å; E827-Y829 PolarHBondContact O-N 3.15Å; Y829-C831 VanDerWaalsContact C-N 3.27Å; Y829-C831 PolarHBondContact O-N 3.08Å; Y829-K936 HydrophobicContact CD1-CB 4.11Å; Y829-K936 HydrophobicContact CD1-CD 4.45Å; Y829-K936 HydrophobicContact CD2-CB 4.31Å; Y829-K936 HydrophobicContact CE1-CB 3.76Å; Y829-K936 HydrophobicContact CE1-CD 3.84Å; Y829-K936 HydrophobicContact CE1-CG 4.45Å; Y829-K936 HydrophobicContact CE2-CB 3.95Å; Y829-K936 HydrophobicContact CG-CB 4.38Å; Y829-A937 HydrophobicContact CD2-CB 3.86Å
830	K	89.5	Confident	92.2	Very high	115 Å²	115	26.5 Å²	26.5	50%	0.5	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	34.8	177.7	-47.4	-161.9	160.6	-137.6	0	114.7	S826 E827 E925 S926 N927	S826-K830 PolarHBondContact O-N 3.36Å; E827-K830 PolarHBondContact O-N 3.05Å; K830-E925 HydrophobicContact CB-CB 4.32Å; K830-E925 WeakPolarHBondContact CB-OE2 3.36Å; K830-E925 WeakPolarHBondContact CD-OE2 3.47Å; K830-E925 WeakPolarHBondContact CG-OE2 3.26Å; K830-E925 IonicContact NZ-OE1 3.88Å; K830-E925 IonicContact NZ-OE2 3.41Å; K830-S926 CarbonylContact O-C 3.45Å; K830-N927 WeakPolarHBondContact O-CB 3.29Å; K830-N927 PolarHBondContact O-N 3.26Å
831	C	91.8	Very high	92.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.12	C	C	.	.			trans	-128.4	34.7	-176.7	58.2	0	0	0	0	112.6	S826 Y829 E834 I835 A933 I934	S826-C831 PolarHBondContact O-N 3.05Å; Y829-C831 VanDerWaalsContact C-N 3.27Å; Y829-C831 PolarHBondContact O-N 3.08Å; C831-E834 WeakPolarHBondContact CA-OE2 3.48Å; C831-I835 WeakPolarHBondContact O-CB 3.42Å; C831-I835 WeakPolarHBondContact O-CG1 3.25Å; C831-I835 PolarHBondContact O-N 2.85Å; C831-A933 HydrophobicContact CB-CB 4.49Å; C831-I934 HydrophobicContact CB-CG1 3.99Å
832	S	92	Very high	92.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.3	-40.3	-177.1	27.5	0	0	0	0	113.5	S826 E834 L836 E923 E925	S826-S832 WeakPolarHBondContact OG-CA 3.4Å; S832-E834 PolarHBondContact O-N 3.48Å; S832-L836 WeakPolarHBondContact O-CB 3.37Å; S832-L836 PolarHBondContact O-N 3.4Å; S832-E923 PolarHBondContact OG-O 3.19Å; S832-E923 VanDerWaalsContact OG-O 3.07Å; S832-E925 PolarHBondContact N-O 3.33Å; S832-E925 WeakPolarHBondContact OG-CA 3.2Å; S832-E925 PolarHBondContact OG-N 3.26Å; S832-E925 PolarHBondContact OG-O 3.09Å
833	E	92.5	Very high	91.7	Very high	64 Å²	64	27.2 Å²	27.2	30%	0.299	13%	0.129	S	C	.	.	H	α-helix	trans	-65.3	-41.4	-179.5	-172.4	178.5	179.9	0	0	111.7	T837 K884 R910 E925	E833-T837 WeakPolarHBondContact O-CB 3.37Å; E833-T837 PolarHBondContact O-N 3.37Å; E833-T837 VanDerWaalsContact O-N 3.16Å; E833-T837 PolarHBondContact O-OG1 2.86Å; E833-K884 IonicContact OE1-NZ 2.67Å; E833-K884 PolarHBondContact OE1-NZ 3.33Å; E833-R910 IonicContact OE1-NH2 2.55Å; E833-E925 PolarHBondContact N-O 3.05Å; E833-E925 VanDerWaalsContact N-O 3.13Å
834	E	93.5	Very high	91.2	Very high	17 Å²	17	28.5 Å²	28.5	8%	0.079	14%	0.137	C	C	.	.	H	α-helix	trans	-70.6	-45.9	-179.6	-59.5	85.2	173.4	0	0	110.8	C831 S832 T837 I838 L877 S926 N927 I934	C831-E834 WeakPolarHBondContact CA-OE2 3.48Å; S832-E834 PolarHBondContact O-N 3.48Å; E834-T837 WeakPolarHBondContact O-CB 3.46Å; E834-T837 PolarHBondContact O-N 3.39Å; E834-I838 VanDerWaalsContact O-CG1 3.29Å; E834-I838 WeakPolarHBondContact O-CG1 3.28Å; E834-I838 PolarHBondContact O-N 3.33Å; E834-L877 HydrophobicContact CB-CD1 4.36Å; E834-L877 HydrophobicContact CB-CD2 3.94Å; E834-L877 HydrophobicContact CG-CD2 4.08Å; E834-S926 WeakPolarHBondContact OE1-CB 3.33Å; E834-S926 PolarHBondContact OE1-OG 2.79Å; E834-N927 PolarHBondContact OE1-N 2.85Å; E834-I934 HydrophobicContact CB-CD1 3.81Å; E834-I934 HydrophobicContact CB-CG1 4.14Å; E834-I934 HydrophobicContact CG-CD1 3.95Å
835	I	94.5	Very high	90	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.9	-38.8	179.5	-68	-68.9	0	0	0	111.6	M822 L823 C831 T837 I838 A839 I934 A937 I938	M822-I835 HydrophobicContact CE-CG2 3.99Å; M822-I835 HydrophobicContact CG-CD1 4.26Å; M822-I835 HydrophobicContact CG-CG2 3.7Å; M822-I835 HydrophobicContact SD-CD1 4.4Å; M822-I835 HydrophobicContact SD-CG2 4.28Å; L823-I835 HydrophobicContact CD2-CG2 4.09Å; C831-I835 WeakPolarHBondContact O-CB 3.42Å; C831-I835 WeakPolarHBondContact O-CG1 3.25Å; C831-I835 PolarHBondContact O-N 2.85Å; I835-T837 VanDerWaalsContact C-N 3.29Å; I835-T837 PolarHBondContact O-N 2.97Å; I835-I838 HydrophobicContact CD1-CD1 4.44Å; I835-I838 PolarHBondContact O-N 2.87Å; I835-A839 VanDerWaalsContact O-CB 3.31Å; I835-A839 WeakPolarHBondContact O-CB 3.49Å; I835-A839 PolarHBondContact O-N 3.48Å; I835-I934 HydrophobicContact CD1-CG2 3.84Å; I835-A937 HydrophobicContact CD1-CB 3.76Å; I835-A937 HydrophobicContact CG1-CB 3.89Å; I835-I938 HydrophobicContact CD1-CD1 4.46Å; I835-I938 HydrophobicContact CD1-CG1 3.85Å
836	L	94	Very high	88.5	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-57.4	-44.3	172.5	172.8	62	0	0	0	111.4	L823 S832 S840 R910 L913 E914 M917 L924	L823-L836 HydrophobicContact CD2-CD1 4.5Å; S832-L836 WeakPolarHBondContact O-CB 3.37Å; S832-L836 PolarHBondContact O-N 3.4Å; L836-S840 WeakPolarHBondContact O-CB 3.48Å; L836-S840 PolarHBondContact O-N 2.85Å; L836-S840 VanDerWaalsContact O-N 3.09Å; L836-S840 PolarHBondContact O-OG 3.49Å; L836-R910 HydrophobicContact CD2-CG 4.14Å; L836-R910 HydrophobicContact CG-CG 3.94Å; L836-L913 HydrophobicContact CD1-CB 3.25Å; L836-L913 HydrophobicContact CD1-CD1 4.12Å; L836-L913 HydrophobicContact CD1-CG 4.34Å; L836-E914 HydrophobicContact CD2-CB 3.98Å; L836-E914 HydrophobicContact CD2-CG 4.14Å; L836-M917 HydrophobicContact CB-SD 4.2Å; L836-M917 HydrophobicContact CD1-SD 3.83Å; L836-M917 HydrophobicContact CD2-SD 4.21Å; L836-M917 HydrophobicContact CG-SD 4.29Å; L836-L924 HydrophobicContact CD2-CD2 4.04Å
837	T	93.7	Very high	87.4	Confident	3 Å²	3	32.4 Å²	32.4	2%	0.018	17%	0.17	C	C	.	.	H	α-helix	trans	-67.3	-44.2	178.3	-57.5	0	0	0	0	111.2	E833 E834 I835 S840 M841 L877 Y880 R910	E833-T837 WeakPolarHBondContact O-CB 3.37Å; E833-T837 PolarHBondContact O-N 3.37Å; E833-T837 VanDerWaalsContact O-N 3.16Å; E833-T837 PolarHBondContact O-OG1 2.86Å; E834-T837 WeakPolarHBondContact O-CB 3.46Å; E834-T837 PolarHBondContact O-N 3.39Å; I835-T837 VanDerWaalsContact C-N 3.29Å; I835-T837 PolarHBondContact O-N 2.97Å; T837-S840 WeakPolarHBondContact O-CB 3.44Å; T837-S840 PolarHBondContact O-N 2.84Å; T837-M841 WeakPolarHBondContact O-CG 3.44Å; T837-M841 PolarHBondContact O-N 3.48Å; T837-L877 HydrophobicContact CG2-CD1 3.77Å; T837-Y880 HydrophobicContact CG2-CD1 3.3Å; T837-Y880 HydrophobicContact CG2-CD2 4.25Å; T837-Y880 HydrophobicContact CG2-CE1 3.94Å; T837-Y880 HydrophobicContact CG2-CG 3.48Å; T837-Y880 VanDerWaalsContact CG2-CG 3.48Å; T837-R910 PolarHBondContact OG1-NE 3.3Å
838	I	93.7	Very high	87.1	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.9	-47.7	175.1	-69.5	167.1	0	0	0	111	E834 I835 S840 M841 L842 H873 L877 I934 I938	E834-I838 VanDerWaalsContact O-CG1 3.29Å; E834-I838 WeakPolarHBondContact O-CG1 3.28Å; E834-I838 PolarHBondContact O-N 3.33Å; I835-I838 HydrophobicContact CD1-CD1 4.44Å; I835-I838 PolarHBondContact O-N 2.87Å; I838-S840 PolarHBondContact O-N 2.82Å; I838-M841 PolarHBondContact O-N 3.32Å; I838-M841 VanDerWaalsContact O-N 3.17Å; I838-L842 HydrophobicContact CG2-CD1 3.77Å; I838-L842 HydrophobicContact CG2-CG 4.14Å; I838-L842 WeakPolarHBondContact O-CB 3.44Å; I838-L842 VanDerWaalsContact O-CG 3.29Å; I838-L842 WeakPolarHBondContact O-CG 3.46Å; I838-L842 PolarHBondContact O-N 3.49Å; I838-H873 HydrophobicContact CD1-CB 4.46Å; I838-H873 HydrophobicContact CG2-CB 4.05Å; I838-L877 HydrophobicContact CD1-CB 4.4Å; I838-L877 HydrophobicContact CD1-CD2 4.43Å; I838-L877 HydrophobicContact CG1-CB 4.01Å; I838-I934 HydrophobicContact CD1-CG2 3.62Å; I838-I938 HydrophobicContact CD1-CD1 4.48Å
839	A	93.1	Very high	86.9	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.3	-36.6	178.6	0	0	0	0	0	112.2	M819 M822 L823 I835 S843 L913	M819-A839 HydrophobicContact CG-CB 4.08Å; M819-A839 HydrophobicContact SD-CB 4.07Å; M822-A839 HydrophobicContact CE-CB 3.82Å; L823-A839 HydrophobicContact CD1-CB 4.36Å; L823-A839 HydrophobicContact CD2-CB 3.96Å; L823-A839 HydrophobicContact CG-CB 4.27Å; I835-A839 VanDerWaalsContact O-CB 3.31Å; I835-A839 WeakPolarHBondContact O-CB 3.49Å; I835-A839 PolarHBondContact O-N 3.48Å; A839-S843 WeakPolarHBondContact O-CB 3.44Å; A839-S843 PolarHBondContact O-N 2.81Å; A839-S843 PolarHBondContact O-OG 2.83Å; A839-L913 HydrophobicContact CB-CD1 4.46Å
840	S	92.4	Very high	86.5	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-71	-39.5	178.2	-58.7	0	0	0	0	111.9	L836 T837 I838 A906 R910	L836-S840 WeakPolarHBondContact O-CB 3.48Å; L836-S840 PolarHBondContact O-N 2.85Å; L836-S840 VanDerWaalsContact O-N 3.09Å; L836-S840 PolarHBondContact O-OG 3.49Å; T837-S840 WeakPolarHBondContact O-CB 3.44Å; T837-S840 PolarHBondContact O-N 2.84Å; I838-S840 PolarHBondContact O-N 2.82Å; S840-A906 WeakPolarHBondContact CB-O 3.21Å; S840-R910 WeakPolarHBondContact OG-CA 3.32Å; S840-R910 WeakPolarHBondContact OG-CB 3.27Å; S840-R910 PolarHBondContact OG-N 3.1Å
841	M	92	Very high	86.2	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-68.5	-44	173.9	-69.2	-64.6	-73.6	0	0	112	T837 I838 S843 V844 N845 V848 L876 V879 Y880 M903 A906	T837-M841 WeakPolarHBondContact O-CG 3.44Å; T837-M841 PolarHBondContact O-N 3.48Å; I838-M841 PolarHBondContact O-N 3.32Å; I838-M841 VanDerWaalsContact O-N 3.17Å; M841-S843 PolarHBondContact O-N 3.47Å; M841-V844 PolarHBondContact O-N 2.79Å; M841-N845 PolarHBondContact O-N 2.91Å; M841-V848 HydrophobicContact CE-CG1 3.86Å; M841-V848 HydrophobicContact CE-CG2 3.93Å; M841-L876 HydrophobicContact CB-CB 3.97Å; M841-L876 HydrophobicContact CB-CD1 4.23Å; M841-L876 HydrophobicContact CE-CB 4.45Å; M841-L876 HydrophobicContact CE-CD2 4.12Å; M841-L876 HydrophobicContact CG-CB 4.4Å; M841-V879 HydrophobicContact CE-CG1 4.32Å; M841-Y880 HydrophobicContact CG-CD2 4.44Å; M841-Y880 HydrophobicContact SD-CD2 3.86Å; M841-Y880 HydrophobicContact SD-CG 4.49Å; M841-M903 HydrophobicContact CE-CE 4.04Å; M841-M903 HydrophobicContact CE-SD 3.71Å; M841-M903 HydrophobicContact SD-CE 4.05Å; M841-M903 HydrophobicContact SD-SD 4.02Å; M841-A906 HydrophobicContact SD-CB 3.7Å
842	L	91.1	Very high	85.6	Confident	5 Å²	5	28.1 Å²	28.1	3%	0.026	15%	0.146	C	C	.	.	H	α-helix	trans	-60.5	-34.2	176.4	-71.2	173	0	0	0	112.3	M819 M822 I838 V844 N845 L876 E995	M819-L842 HydrophobicContact CE-CB 4.15Å; M822-L842 HydrophobicContact CE-CD1 4.41Å; I838-L842 HydrophobicContact CG2-CD1 3.77Å; I838-L842 HydrophobicContact CG2-CG 4.14Å; I838-L842 WeakPolarHBondContact O-CB 3.44Å; I838-L842 VanDerWaalsContact O-CG 3.29Å; I838-L842 WeakPolarHBondContact O-CG 3.46Å; I838-L842 PolarHBondContact O-N 3.49Å; L842-V844 PolarHBondContact O-N 3.02Å; L842-N845 WeakPolarHBondContact CD2-OD1 3.33Å; L842-N845 WeakPolarHBondContact O-CB 3.47Å; L842-N845 PolarHBondContact O-N 3Å; L842-N845 PolarHBondContact O-ND2 3.18Å; L842-L876 HydrophobicContact CD2-CD1 3.9Å; L842-L876 HydrophobicContact CG-CD1 4.43Å; L842-E995 HydrophobicContact CD2-CB 4.19Å; L842-E995 HydrophobicContact CD2-CG 4.16Å
843	S	86.1	Confident	85	Confident	48 Å²	48	34.2 Å²	34.2	34%	0.336	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-16.8	176.1	-64.2	0	0	0	0	113.6	A839 M841	A839-S843 WeakPolarHBondContact O-CB 3.44Å; A839-S843 PolarHBondContact O-N 2.81Å; A839-S843 PolarHBondContact O-OG 2.83Å; M841-S843 PolarHBondContact O-N 3.47Å
844	V	82.4	Confident	84.5	Confident	27 Å²	27	37.3 Å²	37.3	16%	0.164	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-22.5	177.5	-173.5	0	0	0	0	112	M841 L842 A846 A847 R905 A906	M841-V844 PolarHBondContact O-N 2.79Å; L842-V844 PolarHBondContact O-N 3.02Å; V844-A846 PolarHBondContact O-N 2.79Å; V844-A847 PolarHBondContact O-N 3.09Å; V844-R905 HydrophobicContact CG2-CB 4.36Å; V844-A906 HydrophobicContact CG2-CB 4.07Å
845	N	64.8	Low	84.2	Confident	21 Å²	21	41.3 Å²	41.3	11%	0.112	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	21	-76.8	178.5	-107.9	-5.4	0	0	0	117.3	M841 L842 A847 H983 E995	M841-N845 PolarHBondContact O-N 2.91Å; L842-N845 WeakPolarHBondContact CD2-OD1 3.33Å; L842-N845 WeakPolarHBondContact O-CB 3.47Å; L842-N845 PolarHBondContact O-N 3Å; L842-N845 PolarHBondContact O-ND2 3.18Å; N845-A847 VanDerWaalsContact C-N 3.28Å; N845-A847 PolarHBondContact O-N 2.7Å; N845-H983 PolarHBondContact ND2-CD2 3.41Å; N845-H983 VanDerWaalsContact ND2-CD2 3.28Å; N845-E995 WeakPolarHBondContact OD1-CG 3.24Å
846	A	61.1	Low	83.8	Confident	77 Å²	77	44.2 Å²	44.2	64%	0.636	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-73.4	-14.8	-166	0	0	0	0	0	115.1	V844	V844-A846 PolarHBondContact O-N 2.79Å
847	A	67.1	Low	83.6	Confident	16 Å²	16	50.4 Å²	50.4	13%	0.132	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-107.5	5.6	-170.5	0	0	0	0	0	114.2	V844 N845 Q899 S902	V844-A847 PolarHBondContact O-N 3.09Å; N845-A847 VanDerWaalsContact C-N 3.28Å; N845-A847 PolarHBondContact O-N 2.7Å; A847-Q899 VanDerWaalsContact O-CB 3.26Å; A847-Q899 WeakPolarHBondContact O-CB 3.14Å; A847-Q899 WeakPolarHBondContact O-CG 3.14Å; A847-Q899 PolarHBondContact O-OE1 2.67Å; A847-S902 VanDerWaalsContact CB-OG 3.28Å; A847-S902 WeakPolarHBondContact CB-OG 3.22Å; A847-S902 WeakPolarHBondContact O-CB 3.45Å; A847-S902 PolarHBondContact O-OG 2.77Å
848	V	83.2	Confident	83.5	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-72.9	-52.5	-178	179.9	0	0	0	0	110.6	M841 V879 V898 Q899 M903	M841-V848 HydrophobicContact CE-CG1 3.86Å; M841-V848 HydrophobicContact CE-CG2 3.93Å; V848-V879 HydrophobicContact CG1-CG1 4.27Å; V848-V898 HydrophobicContact CG1-CG1 4.03Å; V848-V898 CarbonylContact O-C 3.59Å; V848-V898 WeakPolarHBondContact O-CA 3.34Å; V848-Q899 PolarHBondContact O-N 2.89Å; V848-M903 HydrophobicContact CG1-SD 3.94Å
849	F	86.5	Confident	83.2	Confident	39 Å²	39	56.3 Å²	56.3	17%	0.171	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-90.8	126.1	-178.3	-57.9	-74	0	0	0	111.2	R863 F866 L876 V879	F849-R863 HydrophobicContact CD1-CG 4.2Å; F849-R863 HydrophobicContact CE1-CG 4.16Å; F849-F866 HydrophobicContact CE1-CD2 4.13Å; F849-L876 HydrophobicContact CE2-CD2 4.13Å; F849-V879 HydrophobicContact CE1-CG2 3.97Å; F849-V879 HydrophobicContact CZ-CG2 3.89Å
850	Y	81.2	Confident	83	Confident	130 Å²	130	58.5 Å²	58.5	51%	0.51	30%	0.295	S	S	.	.			trans	-97.9	126.9	173.5	-178	-132.2	0	0	0	109.7	P852 Y897	Y850-P852 HydrophobicContact CD1-CG 3.79Å; Y850-P852 HydrophobicContact CE1-CB 4.32Å; Y850-P852 HydrophobicContact CE1-CG 3.5Å; Y850-P852 WeakPolarHBondContact O-CD 3.46Å; Y850-Y897 PolarHBondContact N-O 3.42Å; Y850-Y897 WeakPolarHBondContact O-CB 3.36Å
851	R	84.4	Confident	82.9	Confident	133 Å²	133	62.1 Å²	62.1	50%	0.502	32%	0.317	S	S	.	.			trans	-123.1	82.2	-178.8	-167	175.9	-172.8	-114.5	8	110.3	I856 A859 D860	R851-I856 VanDerWaalsContact CZ-CG2 3.43Å; R851-A859 HydrophobicContact CG-CB 4.36Å; R851-D860 IonicContact CZ-OD1 3.96Å; R851-D860 IonicContact CZ-OD2 3.09Å; R851-D860 IonicContact NE-OD1 3.46Å; R851-D860 PolarHBondContact NE-OD1 3.14Å; R851-D860 IonicContact NE-OD2 2.68Å; R851-D860 PolarHBondContact NE-OD2 3.47Å; R851-D860 IonicContact NH2-OD1 3.57Å; R851-D860 IonicContact NH2-OD2 3.35Å; R851-D860 PolarHBondContact NH2-OD2 2.83Å
852	P	79.5	Confident	82.8	Confident	11 Å²	11	62.8 Å²	62.8	7%	0.071	32%	0.323	C	S	.	.			trans	-59.7	137.9	175.6	-12	21.3	0	0	0	110.9	Y850 D854 K855 I856 Y897	Y850-P852 HydrophobicContact CD1-CG 3.79Å; Y850-P852 HydrophobicContact CE1-CB 4.32Å; Y850-P852 HydrophobicContact CE1-CG 3.5Å; Y850-P852 WeakPolarHBondContact O-CD 3.46Å; P852-D854 WeakPolarHBondContact CB-OD1 3.27Å; P852-D854 PolarHBondContact O-N 3.42Å; P852-K855 HydrophobicContact CB-CB 4.31Å; P852-K855 HydrophobicContact CG-CB 4.32Å; P852-K855 CarbonylContact O-C 3.55Å; P852-K855 PolarHBondContact O-N 3.47Å; P852-I856 VanDerWaalsContact O-CG1 3.26Å; P852-I856 WeakPolarHBondContact O-CG1 3.45Å; P852-I856 PolarHBondContact O-N 2.89Å; P852-Y897 HydrophobicContact CG-CD1 3.97Å; P852-Y897 HydrophobicContact CG-CE1 4Å
853	K	77.9	Confident	82.6	Confident	128 Å²	128	64.4 Å²	64.4	56%	0.557	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-31.7	179.1	-67.2	-178.1	-173.9	168.8	0	112.8	E621 I856	E621-K853 IonicContact OE1-NZ 2.88Å; E621-K853 PolarHBondContact OE1-NZ 3.35Å; E621-K853 IonicContact OE2-NZ 2.79Å; K853-I856 WeakPolarHBondContact O-CD1 3.25Å; K853-I856 WeakPolarHBondContact O-CG1 3.47Å
854	D	82.6	Confident	82.6	Confident	129 Å²	129	66.9 Å²	66.9	69%	0.69	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-23.1	-179.7	59	-49.2	0	0	0	113.6	P852	P852-D854 WeakPolarHBondContact CB-OD1 3.27Å; P852-D854 PolarHBondContact O-N 3.42Å
855	K	86.2	Confident	82.9	Confident	100 Å²	100	69 Å²	69	44%	0.435	35%	0.351	S	S	.	.	S	Bend	trans	-125.3	30.4	-174.9	-63.8	-179.4	-172.7	-179.2	0	113.3	P852 L857 H858 A859 Y897	P852-K855 HydrophobicContact CB-CB 4.31Å; P852-K855 HydrophobicContact CG-CB 4.32Å; P852-K855 CarbonylContact O-C 3.55Å; P852-K855 PolarHBondContact O-N 3.47Å; K855-L857 VanDerWaalsContact C-N 3.31Å; K855-L857 PolarHBondContact O-N 3.32Å; K855-H858 PolarHBondContact O-N 2.87Å; K855-A859 PolarHBondContact O-N 3.25Å; K855-Y897 HydrophobicContact CB-CE1 3.99Å; K855-Y897 HydrophobicContact CD-CE1 4.13Å; K855-Y897 WeakPolarHBondContact CD-OH 3.31Å
856	I	86.6	Confident	84.1	Confident	62 Å²	62	68 Å²	68	32%	0.318	35%	0.346	S	S	.	.	H	α-helix	trans	-50.3	-49.6	-177.5	-69.3	172.4	0	0	0	111.8	R851 P852 K853 H858 A859 D860	R851-I856 VanDerWaalsContact CZ-CG2 3.43Å; P852-I856 VanDerWaalsContact O-CG1 3.26Å; P852-I856 WeakPolarHBondContact O-CG1 3.45Å; P852-I856 PolarHBondContact O-N 2.89Å; K853-I856 WeakPolarHBondContact O-CD1 3.25Å; K853-I856 WeakPolarHBondContact O-CG1 3.47Å; I856-H858 PolarHBondContact O-N 2.86Å; I856-A859 PolarHBondContact O-N 2.88Å; I856-D860 WeakPolarHBondContact CG2-OD2 3.23Å; I856-D860 WeakPolarHBondContact O-CB 3.34Å; I856-D860 VanDerWaalsContact O-CG 3.25Å; I856-D860 PolarHBondContact O-N 2.9Å
857	L	90.4	Very high	85.4	Confident	129 Å²	129	68.4 Å²	68.4	68%	0.675	33%	0.331	S	S	*	.	H	α-helix	trans	-62.6	-42.2	-176.5	-175.8	65.7	0	0	0	112.7	K855 T861	K855-L857 VanDerWaalsContact C-N 3.31Å; K855-L857 PolarHBondContact O-N 3.32Å; L857-T861 WeakPolarHBondContact O-CB 3.41Å; L857-T861 PolarHBondContact O-N 3.4Å; L857-T861 PolarHBondContact O-OG1 2.83Å
858	H	90.6	Very high	86.4	Confident	120 Å²	120	69.6 Å²	69.6	56%	0.556	34%	0.336	S	S	*	.	H	α-helix	trans	-67.6	-41.7	177.5	-65.7	-64.4	0	0	0	111.8	K855 I856 T861 A862 Y897	K855-H858 PolarHBondContact O-N 2.87Å; I856-H858 PolarHBondContact O-N 2.86Å; H858-T861 PolarHBondContact O-N 2.89Å; H858-A862 WeakPolarHBondContact O-CB 3.37Å; H858-A862 PolarHBondContact O-N 3.1Å; H858-Y897 HydrophobicContact CB-CE2 3.79Å; H858-Y897 WeakPolarHBondContact CB-OH 3.41Å
859	A	88.2	Confident	86.4	Confident	7 Å²	7	74.9 Å²	74.9	6%	0.058	37%	0.37	C	S	.	.	H	α-helix	trans	-63.6	-42.7	176.5	0	0	0	0	0	111.6	R851 K855 I856 A862 R863 Y897	R851-A859 HydrophobicContact CG-CB 4.36Å; K855-A859 PolarHBondContact O-N 3.25Å; I856-A859 PolarHBondContact O-N 2.88Å; A859-A862 PolarHBondContact O-N 3.11Å; A859-R863 WeakPolarHBondContact O-CB 3.34Å; A859-R863 PolarHBondContact O-N 3.43Å; A859-Y897 HydrophobicContact CB-CD1 3.92Å; A859-Y897 HydrophobicContact CB-CD2 4.19Å; A859-Y897 HydrophobicContact CB-CE1 4.39Å; A859-Y897 HydrophobicContact CB-CG 3.81Å
860	D	87.7	Confident	86	Confident	46 Å²	46	73.2 Å²	73.2	25%	0.246	37%	0.365	C	S	.	.	H	α-helix	trans	-67.9	-36.5	178.1	-68.3	-14.1	0	0	0	111.3	R851 I856 R863 Q864	R851-D860 IonicContact CZ-OD1 3.96Å; R851-D860 IonicContact CZ-OD2 3.09Å; R851-D860 IonicContact NE-OD1 3.46Å; R851-D860 PolarHBondContact NE-OD1 3.14Å; R851-D860 IonicContact NE-OD2 2.68Å; R851-D860 PolarHBondContact NE-OD2 3.47Å; R851-D860 IonicContact NH2-OD1 3.57Å; R851-D860 IonicContact NH2-OD2 3.35Å; R851-D860 PolarHBondContact NH2-OD2 2.83Å; I856-D860 WeakPolarHBondContact CG2-OD2 3.23Å; I856-D860 WeakPolarHBondContact O-CB 3.34Å; I856-D860 VanDerWaalsContact O-CG 3.25Å; I856-D860 PolarHBondContact O-N 2.9Å; D860-R863 WeakPolarHBondContact O-CB 3.38Å; D860-R863 PolarHBondContact O-N 2.77Å; D860-Q864 VanDerWaalsContact O-CG 3.3Å; D860-Q864 WeakPolarHBondContact O-CG 3.43Å; D860-Q864 PolarHBondContact O-N 3.14Å
861	T	90.7	Very high	86.3	Confident	77 Å²	77	67 Å²	67	47%	0.472	34%	0.34	S	S	.	.	H	α-helix	trans	-67.8	-43.6	175.7	-54.7	0	0	0	0	111.6	L857 H858 R863 Q864 S865	L857-T861 WeakPolarHBondContact O-CB 3.41Å; L857-T861 PolarHBondContact O-N 3.4Å; L857-T861 PolarHBondContact O-OG1 2.83Å; H858-T861 PolarHBondContact O-N 2.89Å; T861-R863 VanDerWaalsContact C-N 3.33Å; T861-Q864 PolarHBondContact O-N 3.41Å; T861-S865 PolarHBondContact O-N 3.1Å
862	A	89.9	Confident	86.7	Confident	13 Å²	13	61 Å²	61	11%	0.107	32%	0.318	C	S	.	.	H	α-helix	trans	-61	-44.6	173.3	0	0	0	0	0	110.6	H858 A859 Q864 S865 F866 Y897	H858-A862 WeakPolarHBondContact O-CB 3.37Å; H858-A862 PolarHBondContact O-N 3.1Å; A859-A862 PolarHBondContact O-N 3.11Å; A862-Q864 VanDerWaalsContact C-N 3.34Å; A862-Q864 PolarHBondContact O-N 3.49Å; A862-S865 WeakPolarHBondContact O-CB 3.47Å; A862-S865 PolarHBondContact O-N 3.1Å; A862-S865 VanDerWaalsContact O-N 3.16Å; A862-S865 PolarHBondContact O-OG 2.91Å; A862-F866 VanDerWaalsContact O-CD2 3.25Å; A862-F866 WeakPolarHBondContact O-CD2 3.49Å; A862-F866 WeakPolarHBondContact O-CE2 3.19Å; A862-Y897 HydrophobicContact CB-CD2 3.99Å
863	R	86.9	Confident	87.2	Confident	40 Å²	40	60.5 Å²	60.5	15%	0.151	31%	0.314	C	S	.	.	H	α-helix	trans	-57.8	-43.5	175.4	-171	-174.3	174.8	114.6	8.7	112.6	F849 A859 D860 T861 S865 F866 W867 N969	F849-R863 HydrophobicContact CD1-CG 4.2Å; F849-R863 HydrophobicContact CE1-CG 4.16Å; A859-R863 WeakPolarHBondContact O-CB 3.34Å; A859-R863 PolarHBondContact O-N 3.43Å; D860-R863 WeakPolarHBondContact O-CB 3.38Å; D860-R863 PolarHBondContact O-N 2.77Å; T861-R863 VanDerWaalsContact C-N 3.33Å; R863-S865 VanDerWaalsContact C-N 3.25Å; R863-S865 PolarHBondContact O-N 3.41Å; R863-F866 PolarHBondContact O-N 3.36Å; R863-F866 VanDerWaalsContact O-N 3.11Å; R863-W867 PolarHBondContact O-NE1 2.85Å; R863-N969 VanDerWaalsContact CZ-O 3.24Å; R863-N969 PolarHBondContact NE-O 2.84Å; R863-N969 PolarHBondContact NH2-O 3.34Å
864	Q	87.5	Confident	87.9	Confident	100 Å²	100	54.8 Å²	54.8	47%	0.467	29%	0.29	S	S	.	.	H	α-helix	trans	-60.6	-33.3	178.2	-78.5	173.8	-5.4	0	0	112.9	D860 T861 A862 F866 W867	D860-Q864 VanDerWaalsContact O-CG 3.3Å; D860-Q864 WeakPolarHBondContact O-CG 3.43Å; D860-Q864 PolarHBondContact O-N 3.14Å; T861-Q864 PolarHBondContact O-N 3.41Å; A862-Q864 VanDerWaalsContact C-N 3.34Å; A862-Q864 PolarHBondContact O-N 3.49Å; Q864-F866 PolarHBondContact O-N 3.47Å; Q864-W867 HydrophobicContact CB-CD2 4.41Å; Q864-W867 HydrophobicContact CG-CD2 4.15Å; Q864-W867 HydrophobicContact CG-CE3 4.1Å; Q864-W867 HydrophobicContact CG-CH2 3.7Å; Q864-W867 HydrophobicContact CG-CZ2 3.72Å; Q864-W867 HydrophobicContact CG-CZ3 3.88Å; Q864-W867 WeakPolarHBondContact O-CB 3.18Å; Q864-W867 PolarHBondContact O-N 2.86Å; Q864-W867 VanDerWaalsContact O-N 3.12Å
865	S	88.6	Confident	88.4	Confident	72 Å²	72	48.9 Å²	48.9	50%	0.503	26%	0.259	S	S	.	.	H	α-helix	trans	-63.5	-21	176.7	76.7	0	0	0	0	113.9	T861 A862 R863	T861-S865 PolarHBondContact O-N 3.1Å; A862-S865 WeakPolarHBondContact O-CB 3.47Å; A862-S865 PolarHBondContact O-N 3.1Å; A862-S865 VanDerWaalsContact O-N 3.16Å; A862-S865 PolarHBondContact O-OG 2.91Å; R863-S865 VanDerWaalsContact C-N 3.25Å; R863-S865 PolarHBondContact O-N 3.41Å
866	F	90	Very high	88.6	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-12.3	177.5	-61.1	-59.9	0	0	0	114	F849 A862 R863 Q864 V868 T875 N878 V879 Q882 W892 N896 V898	F849-F866 HydrophobicContact CE1-CD2 4.13Å; A862-F866 VanDerWaalsContact O-CD2 3.25Å; A862-F866 WeakPolarHBondContact O-CD2 3.49Å; A862-F866 WeakPolarHBondContact O-CE2 3.19Å; R863-F866 PolarHBondContact O-N 3.36Å; R863-F866 VanDerWaalsContact O-N 3.11Å; Q864-F866 PolarHBondContact O-N 3.47Å; F866-V868 PolarHBondContact O-N 2.97Å; F866-T875 HydrophobicContact CB-CG2 4Å; F866-N878 PolarHBondContact O-ND2 2.93Å; F866-V879 HydrophobicContact CB-CG2 3.71Å; F866-V879 HydrophobicContact CD1-CG2 3.76Å; F866-V879 HydrophobicContact CD2-CG2 3.87Å; F866-V879 HydrophobicContact CE1-CG2 4.34Å; F866-V879 HydrophobicContact CE2-CG2 4.45Å; F866-V879 HydrophobicContact CG-CG2 3.5Å; F866-V879 VanDerWaalsContact CG-CG2 3.5Å; F866-Q882 VanDerWaalsContact CE1-OE1 3.29Å; F866-W892 AromaticContact CE1-CH2 3.81Å; F866-W892 HydrophobicContact CE1-CH2 3.81Å; F866-W892 AromaticContact CE1-CZ2 3.65Å; F866-W892 HydrophobicContact CE1-CZ2 3.65Å; F866-W892 AromaticContact CZ-CH2 3.81Å; F866-W892 HydrophobicContact CZ-CH2 3.81Å; F866-W892 AromaticContact CZ-CZ2 3.8Å; F866-W892 HydrophobicContact CZ-CZ2 3.8Å; F866-N896 HydrophobicContact CE2-CB 4.02Å; F866-N896 HydrophobicContact CZ-CB 3.7Å; F866-V898 HydrophobicContact CE2-CG2 4.28Å
867	W	88.6	Confident	88.9	Confident	85 Å²	85	42 Å²	42	32%	0.322	23%	0.227	S	C	.	.			trans	-63.1	125.8	-171.9	-70.2	0.6	0	0	0	111.4	R863 Q864	R863-W867 PolarHBondContact O-NE1 2.85Å; Q864-W867 HydrophobicContact CB-CD2 4.41Å; Q864-W867 HydrophobicContact CG-CD2 4.15Å; Q864-W867 HydrophobicContact CG-CE3 4.1Å; Q864-W867 HydrophobicContact CG-CH2 3.7Å; Q864-W867 HydrophobicContact CG-CZ2 3.72Å; Q864-W867 HydrophobicContact CG-CZ3 3.88Å; Q864-W867 WeakPolarHBondContact O-CB 3.18Å; Q864-W867 PolarHBondContact O-N 2.86Å; Q864-W867 VanDerWaalsContact O-N 3.12Å
868	V	86.2	Confident	89	Confident	41 Å²	41	37.8 Å²	37.8	25%	0.248	21%	0.205	C	C	.	.			trans	-112.3	127.7	173.4	-178.6	0	0	0	0	108.4	F866 G870 G871 L874 T875 N878	F866-V868 PolarHBondContact O-N 2.97Å; V868-G870 PolarHBondContact O-N 3.32Å; V868-G871 PolarHBondContact O-N 2.92Å; V868-L874 HydrophobicContact CB-CB 3.92Å; V868-L874 HydrophobicContact CG1-CB 3.92Å; V868-L874 HydrophobicContact CG1-CD1 4.28Å; V868-T875 PolarHBondContact N-OG1 3.11Å; V868-N878 HydrophobicContact CG2-CB 3.7Å
869	P	83.3	Confident	89.1	Confident	110 Å²	110	32.1 Å²	32.1	71%	0.714	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	133.8	173.1	-25.2	33.9	0	0	0	111.3
870	G	78.6	Confident	89.4	Confident	5 Å²	5	31.8 Å²	31.8	5%	0.052	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	111.6	-17.6	-179.8	0	0	0	0	0	114.6	V868 E998	V868-G870 PolarHBondContact O-N 3.32Å; G870-E998 PolarHBondContact O-N 3.46Å
871	G	88.9	Confident	89.6	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	145	-178.1	162.4	0	0	0	0	0	116.9	V868 H873 L874 T875 L996	V868-G871 PolarHBondContact O-N 2.92Å; G871-H873 PolarHBondContact O-N 3.04Å; G871-L874 PolarHBondContact O-N 3.28Å; G871-T875 PolarHBondContact O-N 3.45Å; G871-T875 PolarHBondContact O-OG1 3.19Å; G871-L996 CarbonylContact C-O 3.52Å; G871-L996 VanDerWaalsContact CA-O 3.3Å; G871-L996 WeakPolarHBondContact CA-O 3.38Å
872	D	90.8	Very high	89.7	Confident	6 Å²	6	31.1 Å²	31.1	3%	0.032	17%	0.168	C	C	.	.	H	α-helix	trans	-68.9	-33.3	-176.1	-61	-36.2	0	0	0	112.2	L874 T875 L876 S970 S971 E995 L996	D872-L874 VanDerWaalsContact C-N 3.29Å; D872-L874 PolarHBondContact O-N 3.1Å; D872-T875 CarbonylContact O-C 3.55Å; D872-T875 WeakPolarHBondContact O-CA 3.24Å; D872-T875 VanDerWaalsContact O-CB 3.29Å; D872-T875 WeakPolarHBondContact O-CB 3.47Å; D872-T875 PolarHBondContact O-N 3.17Å; D872-L876 WeakPolarHBondContact O-CG 3.37Å; D872-L876 PolarHBondContact O-N 3.04Å; D872-S970 VanDerWaalsContact CG-OG 3.27Å; D872-S970 PolarHBondContact OD1-OG 2.94Å; D872-S970 VanDerWaalsContact OD2-CB 3.26Å; D872-S970 WeakPolarHBondContact OD2-CB 3.23Å; D872-S970 PolarHBondContact OD2-OG 2.97Å; D872-S971 PolarHBondContact N-OG 3.46Å; D872-S971 VanDerWaalsContact OD1-CB 3.3Å; D872-S971 WeakPolarHBondContact OD1-CB 3.4Å; D872-S971 PolarHBondContact OD1-N 3.22Å; D872-S971 PolarHBondContact OD1-OG 2.79Å; D872-E995 HydrophobicContact CB-CB 4.47Å; D872-E995 WeakPolarHBondContact CB-OE2 3.38Å; D872-E995 WeakPolarHBondContact OD2-CA 3.47Å; D872-L996 PolarHBondContact N-O 3.11Å; D872-L996 PolarHBondContact OD2-N 3.22Å
873	H	91.8	Very high	89.9	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.3	-38.7	178.3	-69.2	53.8	0	0	0	111.7	I838 G871 L876 L877 I938 E995 V997	I838-H873 HydrophobicContact CD1-CB 4.46Å; I838-H873 HydrophobicContact CG2-CB 4.05Å; G871-H873 PolarHBondContact O-N 3.04Å; H873-L876 PolarHBondContact O-N 3.44Å; H873-L877 PolarHBondContact O-N 3.21Å; H873-L877 VanDerWaalsContact O-N 3.14Å; H873-I938 HydrophobicContact CB-CD1 3.87Å; H873-E995 PolarHBondContact CE1-O 3.39Å; H873-V997 HydrophobicContact CB-CG2 3.6Å; H873-V997 WeakPolarHBondContact ND1-CG2 3.3Å
874	L	92.3	Very high	90.2	Very high	8 Å²	8	32.2 Å²	32.2	4%	0.042	17%	0.172	C	C	.	.	H	α-helix	trans	-71.4	-33.8	175.2	-62	177.5	0	0	0	111.4	V868 G871 D872 L877 N878 T931 I934	V868-L874 HydrophobicContact CB-CB 3.92Å; V868-L874 HydrophobicContact CG1-CB 3.92Å; V868-L874 HydrophobicContact CG1-CD1 4.28Å; G871-L874 PolarHBondContact O-N 3.28Å; D872-L874 VanDerWaalsContact C-N 3.29Å; D872-L874 PolarHBondContact O-N 3.1Å; L874-L877 WeakPolarHBondContact O-CB 3.45Å; L874-L877 PolarHBondContact O-N 3.43Å; L874-N878 PolarHBondContact O-N 3.12Å; L874-T931 HydrophobicContact CD1-CG2 4.18Å; L874-I934 HydrophobicContact CD2-CB 4.46Å; L874-I934 HydrophobicContact CD2-CD1 4.15Å; L874-I934 HydrophobicContact CD2-CG2 3.97Å
875	T	91.7	Very high	90.4	Very high	5 Å²	5	35 Å²	35	3%	0.031	19%	0.185	C	C	.	.	H	α-helix	trans	-62.4	-43.6	172.9	-60.7	0	0	0	0	111	F866 V868 G871 D872 L877 N878 V879	F866-T875 HydrophobicContact CB-CG2 4Å; V868-T875 PolarHBondContact N-OG1 3.11Å; G871-T875 PolarHBondContact O-N 3.45Å; G871-T875 PolarHBondContact O-OG1 3.19Å; D872-T875 CarbonylContact O-C 3.55Å; D872-T875 WeakPolarHBondContact O-CA 3.24Å; D872-T875 VanDerWaalsContact O-CB 3.29Å; D872-T875 WeakPolarHBondContact O-CB 3.47Å; D872-T875 PolarHBondContact O-N 3.17Å; T875-L877 VanDerWaalsContact C-N 3.35Å; T875-L877 PolarHBondContact O-N 3.17Å; T875-N878 WeakPolarHBondContact O-CB 2.92Å; T875-N878 PolarHBondContact O-N 3.07Å; T875-V879 WeakPolarHBondContact O-CG2 3.47Å; T875-V879 PolarHBondContact O-N 3.1Å
876	L	92.1	Very high	90.6	Very high	2 Å²	2	34 Å²	34	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-63.1	-39.5	175.5	-68.3	176.1	0	0	0	112.4	M841 L842 F849 D872 H873 V879 Y880	M841-L876 HydrophobicContact CB-CB 3.97Å; M841-L876 HydrophobicContact CB-CD1 4.23Å; M841-L876 HydrophobicContact CE-CB 4.45Å; M841-L876 HydrophobicContact CE-CD2 4.12Å; M841-L876 HydrophobicContact CG-CB 4.4Å; L842-L876 HydrophobicContact CD2-CD1 3.9Å; L842-L876 HydrophobicContact CG-CD1 4.43Å; F849-L876 HydrophobicContact CE2-CD2 4.13Å; D872-L876 WeakPolarHBondContact O-CG 3.37Å; D872-L876 PolarHBondContact O-N 3.04Å; H873-L876 PolarHBondContact O-N 3.44Å; L876-V879 PolarHBondContact O-N 3.23Å; L876-Y880 PolarHBondContact O-N 3.3Å; L876-Y880 VanDerWaalsContact O-N 3.14Å
877	L	92.4	Very high	90.6	Very high	17 Å²	17	40.9 Å²	40.9	9%	0.089	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-44.7	173.5	178.7	63.3	0	0	0	111.4	E834 T837 I838 H873 L874 T875 Y880 N881 I934	E834-L877 HydrophobicContact CB-CD1 4.36Å; E834-L877 HydrophobicContact CB-CD2 3.94Å; E834-L877 HydrophobicContact CG-CD2 4.08Å; T837-L877 HydrophobicContact CG2-CD1 3.77Å; I838-L877 HydrophobicContact CD1-CB 4.4Å; I838-L877 HydrophobicContact CD1-CD2 4.43Å; I838-L877 HydrophobicContact CG1-CB 4.01Å; H873-L877 PolarHBondContact O-N 3.21Å; H873-L877 VanDerWaalsContact O-N 3.14Å; L874-L877 WeakPolarHBondContact O-CB 3.45Å; L874-L877 PolarHBondContact O-N 3.43Å; T875-L877 VanDerWaalsContact C-N 3.35Å; T875-L877 PolarHBondContact O-N 3.17Å; L877-Y880 PolarHBondContact O-N 2.87Å; L877-N881 PolarHBondContact O-N 3.27Å; L877-I934 HydrophobicContact CD2-CD1 4.2Å
878	N	92.6	Very high	90.6	Very high	40 Å²	40	39.6 Å²	39.6	21%	0.214	21%	0.208	C	C	.	.	H	α-helix	trans	-61.8	-44.3	178.3	-173	28.3	0	0	0	112	F866 V868 L874 T875 Y880 N881 Q882	F866-N878 PolarHBondContact O-ND2 2.93Å; V868-N878 HydrophobicContact CG2-CB 3.7Å; L874-N878 PolarHBondContact O-N 3.12Å; T875-N878 WeakPolarHBondContact O-CB 2.92Å; T875-N878 PolarHBondContact O-N 3.07Å; N878-Y880 VanDerWaalsContact C-N 3.32Å; N878-Y880 PolarHBondContact O-N 3.4Å; N878-N881 PolarHBondContact O-N 3.36Å; N878-Q882 PolarHBondContact ND2-NE2 2.87Å; N878-Q882 WeakPolarHBondContact O-CG 3.2Å; N878-Q882 PolarHBondContact O-N 2.91Å; N878-Q882 PolarHBondContact OD1-NE2 2.65Å
879	V	92.9	Very high	90.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-57.8	-44.9	175.5	173.7	0	0	0	0	111.3	M841 V848 F849 F866 T875 L876 W883 W892 V898 M903	M841-V879 HydrophobicContact CE-CG1 4.32Å; V848-V879 HydrophobicContact CG1-CG1 4.27Å; F849-V879 HydrophobicContact CE1-CG2 3.97Å; F849-V879 HydrophobicContact CZ-CG2 3.89Å; F866-V879 HydrophobicContact CB-CG2 3.71Å; F866-V879 HydrophobicContact CD1-CG2 3.76Å; F866-V879 HydrophobicContact CD2-CG2 3.87Å; F866-V879 HydrophobicContact CE1-CG2 4.34Å; F866-V879 HydrophobicContact CE2-CG2 4.45Å; F866-V879 HydrophobicContact CG-CG2 3.5Å; F866-V879 VanDerWaalsContact CG-CG2 3.5Å; T875-V879 WeakPolarHBondContact O-CG2 3.47Å; T875-V879 PolarHBondContact O-N 3.1Å; L876-V879 PolarHBondContact O-N 3.23Å; V879-W883 WeakPolarHBondContact O-CB 3.39Å; V879-W883 PolarHBondContact O-N 2.88Å; V879-W883 VanDerWaalsContact O-N 3.11Å; V879-W892 HydrophobicContact CG1-CH2 4.4Å; V879-V898 HydrophobicContact CG1-CG1 4.41Å; V879-V898 HydrophobicContact CG1-CG2 4.25Å; V879-M903 HydrophobicContact CG1-CE 4.12Å; V879-M903 HydrophobicContact CG1-SD 4.23Å
880	Y	93.1	Very high	91.1	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-67.1	-42.7	179.7	-171.2	-88.2	0	0	0	112.3	T837 M841 L876 L877 N878 W883 K884 M903 R907 R910	T837-Y880 HydrophobicContact CG2-CD1 3.3Å; T837-Y880 HydrophobicContact CG2-CD2 4.25Å; T837-Y880 HydrophobicContact CG2-CE1 3.94Å; T837-Y880 HydrophobicContact CG2-CG 3.48Å; T837-Y880 VanDerWaalsContact CG2-CG 3.48Å; M841-Y880 HydrophobicContact CG-CD2 4.44Å; M841-Y880 HydrophobicContact SD-CD2 3.86Å; M841-Y880 HydrophobicContact SD-CG 4.49Å; L876-Y880 PolarHBondContact O-N 3.3Å; L876-Y880 VanDerWaalsContact O-N 3.14Å; L877-Y880 PolarHBondContact O-N 2.87Å; N878-Y880 VanDerWaalsContact C-N 3.32Å; N878-Y880 PolarHBondContact O-N 3.4Å; Y880-W883 HydrophobicContact CD2-CE3 4.42Å; Y880-W883 HydrophobicContact CE2-CE3 4.31Å; Y880-W883 HydrophobicContact CE2-CZ3 4.28Å; Y880-W883 PolarHBondContact O-N 2.97Å; Y880-K884 HydrophobicContact CE1-CD 4.41Å; Y880-K884 WeakPolarHBondContact O-CB 3.05Å; Y880-K884 PolarHBondContact O-N 3.3Å; Y880-M903 HydrophobicContact CD2-CE 3.85Å; Y880-M903 HydrophobicContact CG-CE 4.46Å; Y880-R907 HydrophobicContact CE2-CB 4.42Å; Y880-R910 VanDerWaalsContact OH-CD 3.22Å; Y880-R910 WeakPolarHBondContact OH-CD 3.5Å
881	N	92.8	Very high	91.7	Very high	58 Å²	58	42.7 Å²	42.7	31%	0.31	22%	0.218	S	C	.	.	H	α-helix	trans	-65.4	-44.5	-180	-72.8	-15	0	0	0	112	L877 N878 W883 K884 E885	L877-N881 PolarHBondContact O-N 3.27Å; N878-N881 PolarHBondContact O-N 3.36Å; N881-W883 VanDerWaalsContact C-N 3.29Å; N881-W883 PolarHBondContact O-N 3.45Å; N881-K884 WeakPolarHBondContact O-CB 3.47Å; N881-K884 PolarHBondContact O-N 2.96Å; N881-K884 VanDerWaalsContact O-N 3.16Å; N881-E885 WeakPolarHBondContact O-CG 3.48Å; N881-E885 PolarHBondContact O-N 3.4Å
882	Q	93.2	Very high	91.9	Very high	50 Å²	50	44.1 Å²	44.1	23%	0.234	22%	0.224	C	C	.	.	H	α-helix	trans	-62.9	-38	175.1	-68.7	-175.1	34.5	0	0	111.9	F866 N878 E885 T886 W892	F866-Q882 VanDerWaalsContact CE1-OE1 3.29Å; N878-Q882 PolarHBondContact ND2-NE2 2.87Å; N878-Q882 WeakPolarHBondContact O-CG 3.2Å; N878-Q882 PolarHBondContact O-N 2.91Å; N878-Q882 PolarHBondContact OD1-NE2 2.65Å; Q882-E885 PolarHBondContact O-N 3.47Å; Q882-T886 WeakPolarHBondContact O-CG2 3.36Å; Q882-T886 PolarHBondContact O-N 2.82Å; Q882-T886 PolarHBondContact O-OG1 3.26Å; Q882-W892 HydrophobicContact CB-CH2 4.07Å; Q882-W892 HydrophobicContact CB-CZ2 3.51Å
883	W	93.5	Very high	91.8	Very high	3 Å²	3	43.9 Å²	43.9	1%	0.011	22%	0.223	C	C	.	.	H	α-helix	trans	-65.3	-40.3	174.7	-173.9	49.6	0	0	0	112.3	V879 Y880 N881 T886 Y888 S889 W892 C893 H900 M903 R907	V879-W883 WeakPolarHBondContact O-CB 3.39Å; V879-W883 PolarHBondContact O-N 2.88Å; V879-W883 VanDerWaalsContact O-N 3.11Å; Y880-W883 HydrophobicContact CD2-CE3 4.42Å; Y880-W883 HydrophobicContact CE2-CE3 4.31Å; Y880-W883 HydrophobicContact CE2-CZ3 4.28Å; Y880-W883 PolarHBondContact O-N 2.97Å; N881-W883 VanDerWaalsContact C-N 3.29Å; N881-W883 PolarHBondContact O-N 3.45Å; W883-T886 PolarHBondContact O-N 2.78Å; W883-T886 PolarHBondContact O-OG1 3.08Å; W883-Y888 AromaticContact CD2-CD1 3.84Å; W883-Y888 HydrophobicContact CD2-CD1 3.84Å; W883-Y888 AromaticContact CE2-CD1 3.96Å; W883-Y888 AromaticContact CE3-CD1 3.55Å; W883-Y888 HydrophobicContact CE3-CD1 3.55Å; W883-Y888 HydrophobicContact CE3-CE1 4.07Å; W883-Y888 AromaticContact CH2-CD1 3.6Å; W883-Y888 HydrophobicContact CH2-CD1 3.6Å; W883-Y888 HydrophobicContact CH2-CE1 4.47Å; W883-Y888 HydrophobicContact CH2-CG 4.29Å; W883-Y888 AromaticContact CZ2-CD1 3.87Å; W883-Y888 HydrophobicContact CZ2-CD1 3.87Å; W883-Y888 HydrophobicContact CZ2-CG 4.26Å; W883-Y888 AromaticContact CZ3-CD1 3.44Å; W883-Y888 HydrophobicContact CZ3-CD1 3.44Å; W883-Y888 VanDerWaalsContact CZ3-CD1 3.44Å; W883-Y888 AromaticContact CZ3-CE1 3.96Å; W883-Y888 HydrophobicContact CZ3-CE1 3.96Å; W883-Y888 VanDerWaalsContact NE1-C 3.26Å; W883-Y888 PolarHBondContact NE1-O 3.39Å; W883-Y888 PolarHBondContact O-N 2.93Å; W883-Y888 VanDerWaalsContact O-N 3.1Å; W883-S889 PolarHBondContact NE1-O 3.2Å; W883-W892 HydrophobicContact CB-CE3 4.03Å; W883-W892 HydrophobicContact CB-CH2 4.04Å; W883-W892 HydrophobicContact CB-CZ3 3.59Å; W883-W892 AromaticContact CD1-CE3 3.54Å; W883-W892 AromaticContact CD1-CZ3 3.89Å; W883-W892 HydrophobicContact CG-CE3 4.11Å; W883-W892 HydrophobicContact CG-CZ3 4Å; W883-C893 VanDerWaalsContact CD1-SG 3.59Å; W883-C893 PolarHBondContact NE1-SG 3.33Å; W883-H900 AromaticContact CZ2-CE1 3.86Å; W883-H900 AromaticContact CZ2-ND1 3.81Å; W883-M903 HydrophobicContact CB-CE 4Å; W883-M903 HydrophobicContact CD2-CB 3.92Å; W883-M903 HydrophobicContact CD2-CE 3.92Å; W883-M903 HydrophobicContact CD2-CG 4.37Å; W883-M903 HydrophobicContact CE3-CB 3.72Å; W883-M903 HydrophobicContact CE3-CE 3.52Å; W883-M903 HydrophobicContact CE3-CG 4.4Å; W883-M903 HydrophobicContact CG-CE 4.15Å; W883-M903 HydrophobicContact CH2-CB 3.63Å; W883-M903 HydrophobicContact CZ2-CB 3.83Å; W883-M903 HydrophobicContact CZ3-CB 3.56Å; W883-M903 HydrophobicContact CZ3-CE 4.29Å; W883-M903 WeakPolarHBondContact CZ3-O 3.03Å; W883-R907 HydrophobicContact CZ3-CB 4.25Å
884	K	92.5	Very high	91.6	Very high	74 Å²	74	52 Å²	52	32%	0.322	25%	0.254	S	S	.	.	H	α-helix	trans	-62.8	-40.5	174.9	-178.6	179.2	176.7	-175	0	111.7	E833 Y880 N881 T886 D887 Y888	E833-K884 IonicContact OE1-NZ 2.67Å; E833-K884 PolarHBondContact OE1-NZ 3.33Å; Y880-K884 HydrophobicContact CE1-CD 4.41Å; Y880-K884 WeakPolarHBondContact O-CB 3.05Å; Y880-K884 PolarHBondContact O-N 3.3Å; N881-K884 WeakPolarHBondContact O-CB 3.47Å; N881-K884 PolarHBondContact O-N 2.96Å; N881-K884 VanDerWaalsContact O-N 3.16Å; K884-T886 VanDerWaalsContact C-N 3.26Å; K884-T886 PolarHBondContact O-N 3.24Å; K884-D887 PolarHBondContact O-N 2.88Å; K884-Y888 HydrophobicContact CB-CE1 4.28Å; K884-Y888 HydrophobicContact CG-CE1 4.42Å
885	E	93	Very high	91.5	Very high	159 Å²	159	57.2 Å²	57.2	74%	0.743	28%	0.278	S	S	*	.	H	α-helix	trans	-65.2	-27.4	176.7	-74	173.8	-173.7	0	0	113.3	N881 Q882 D887	N881-E885 WeakPolarHBondContact O-CG 3.48Å; N881-E885 PolarHBondContact O-N 3.4Å; Q882-E885 PolarHBondContact O-N 3.47Å; E885-D887 VanDerWaalsContact C-N 3.25Å; E885-D887 PolarHBondContact O-N 3.01Å
886	T	91.7	Very high	91.5	Very high	50 Å²	50	58.5 Å²	58.5	31%	0.307	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	21.3	175.1	62.8	0	0	0	0	113.9	Q882 W883 K884 Y888 S889 W892	Q882-T886 WeakPolarHBondContact O-CG2 3.36Å; Q882-T886 PolarHBondContact O-N 2.82Å; Q882-T886 PolarHBondContact O-OG1 3.26Å; W883-T886 PolarHBondContact O-N 2.78Å; W883-T886 PolarHBondContact O-OG1 3.08Å; K884-T886 VanDerWaalsContact C-N 3.26Å; K884-T886 PolarHBondContact O-N 3.24Å; T886-Y888 PolarHBondContact O-N 2.95Å; T886-S889 VanDerWaalsContact O-CB 3.3Å; T886-S889 WeakPolarHBondContact O-CB 3.38Å; T886-S889 PolarHBondContact O-N 3.18Å; T886-S889 VanDerWaalsContact O-N 3.13Å; T886-W892 HydrophobicContact CG2-CB 4.5Å; T886-W892 HydrophobicContact CG2-CG 4.01Å
887	D	90.6	Very high	91.3	Very high	144 Å²	144	60.5 Å²	60.5	77%	0.77	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	37.5	-177.8	-68.9	-40.9	0	0	0	113.5	K884 E885 S889	K884-D887 PolarHBondContact O-N 2.88Å; E885-D887 VanDerWaalsContact C-N 3.25Å; E885-D887 PolarHBondContact O-N 3.01Å; D887-S889 VanDerWaalsContact C-N 3.3Å; D887-S889 PolarHBondContact O-N 3.48Å
888	Y	89.5	Confident	91.1	Very high	59 Å²	59	60 Å²	60	23%	0.231	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	31.7	179.6	-49.1	-75	0	0	0	114.3	W883 K884 T886 T890 R907	W883-Y888 AromaticContact CD2-CD1 3.84Å; W883-Y888 HydrophobicContact CD2-CD1 3.84Å; W883-Y888 AromaticContact CE2-CD1 3.96Å; W883-Y888 AromaticContact CE3-CD1 3.55Å; W883-Y888 HydrophobicContact CE3-CD1 3.55Å; W883-Y888 HydrophobicContact CE3-CE1 4.07Å; W883-Y888 AromaticContact CH2-CD1 3.6Å; W883-Y888 HydrophobicContact CH2-CD1 3.6Å; W883-Y888 HydrophobicContact CH2-CE1 4.47Å; W883-Y888 HydrophobicContact CH2-CG 4.29Å; W883-Y888 AromaticContact CZ2-CD1 3.87Å; W883-Y888 HydrophobicContact CZ2-CD1 3.87Å; W883-Y888 HydrophobicContact CZ2-CG 4.26Å; W883-Y888 AromaticContact CZ3-CD1 3.44Å; W883-Y888 HydrophobicContact CZ3-CD1 3.44Å; W883-Y888 VanDerWaalsContact CZ3-CD1 3.44Å; W883-Y888 AromaticContact CZ3-CE1 3.96Å; W883-Y888 HydrophobicContact CZ3-CE1 3.96Å; W883-Y888 VanDerWaalsContact NE1-C 3.26Å; W883-Y888 PolarHBondContact NE1-O 3.39Å; W883-Y888 PolarHBondContact O-N 2.93Å; W883-Y888 VanDerWaalsContact O-N 3.1Å; K884-Y888 HydrophobicContact CB-CE1 4.28Å; K884-Y888 HydrophobicContact CG-CE1 4.42Å; T886-Y888 PolarHBondContact O-N 2.95Å; Y888-T890 PolarHBondContact O-N 3.23Å; Y888-R907 VanDerWaalsContact CE2-NH1 3.26Å
889	S	90.2	Very high	90.7	Very high	42 Å²	42	60.3 Å²	60.3	29%	0.294	29%	0.291	S	S	.	.			trans	-54	133.1	-178	177.7	0	0	0	0	113.1	W883 T886 D887 Q891 W892 C893	W883-S889 PolarHBondContact NE1-O 3.2Å; T886-S889 VanDerWaalsContact O-CB 3.3Å; T886-S889 WeakPolarHBondContact O-CB 3.38Å; T886-S889 PolarHBondContact O-N 3.18Å; T886-S889 VanDerWaalsContact O-N 3.13Å; D887-S889 VanDerWaalsContact C-N 3.3Å; D887-S889 PolarHBondContact O-N 3.48Å; S889-Q891 PolarHBondContact OG-N 2.71Å; S889-W892 PolarHBondContact OG-N 3.35Å; S889-C893 PolarHBondContact O-SG 3.29Å
890	T	89.7	Confident	90.4	Very high	73 Å²	73	63 Å²	63	45%	0.448	30%	0.303	S	S	.	.	H	α-helix	trans	-70.4	-38.3	171.4	49.2	0	0	0	0	111.2	Y888 C893 Y894	Y888-T890 PolarHBondContact O-N 3.23Å; T890-C893 WeakPolarHBondContact O-CB 3.46Å; T890-C893 PolarHBondContact O-N 3.49Å; T890-Y894 WeakPolarHBondContact O-CD2 3.46Å; T890-Y894 PolarHBondContact O-N 3.21Å
891	Q	90.8	Very high	89.8	Confident	105 Å²	105	67.4 Å²	67.4	49%	0.491	32%	0.32	S	S	.	.	H	α-helix	trans	-64.6	-42.7	-178.4	-175.8	62.9	15.3	0	0	111.3	S889 C893 Y894 E895	S889-Q891 PolarHBondContact OG-N 2.71Å; Q891-C893 VanDerWaalsContact C-N 3.26Å; Q891-C893 PolarHBondContact O-N 3.47Å; Q891-Y894 PolarHBondContact O-N 2.73Å; Q891-Y894 VanDerWaalsContact O-N 3.09Å; Q891-E895 WeakPolarHBondContact CG-OE1 3.29Å; Q891-E895 PolarHBondContact NE2-OE1 3.23Å; Q891-E895 WeakPolarHBondContact O-CG 3.48Å; Q891-E895 PolarHBondContact O-N 2.81Å
892	W	92.4	Very high	89.4	Confident	31 Å²	31	64.9 Å²	64.9	12%	0.117	31%	0.307	C	S	.	.	H	α-helix	trans	-59	-39.4	175.9	-178.2	90.2	0	0	0	112.1	F866 V879 Q882 W883 T886 S889 E895 N896 V898	F866-W892 AromaticContact CE1-CH2 3.81Å; F866-W892 HydrophobicContact CE1-CH2 3.81Å; F866-W892 AromaticContact CE1-CZ2 3.65Å; F866-W892 HydrophobicContact CE1-CZ2 3.65Å; F866-W892 AromaticContact CZ-CH2 3.81Å; F866-W892 HydrophobicContact CZ-CH2 3.81Å; F866-W892 AromaticContact CZ-CZ2 3.8Å; F866-W892 HydrophobicContact CZ-CZ2 3.8Å; V879-W892 HydrophobicContact CG1-CH2 4.4Å; Q882-W892 HydrophobicContact CB-CH2 4.07Å; Q882-W892 HydrophobicContact CB-CZ2 3.51Å; W883-W892 HydrophobicContact CB-CE3 4.03Å; W883-W892 HydrophobicContact CB-CH2 4.04Å; W883-W892 HydrophobicContact CB-CZ3 3.59Å; W883-W892 AromaticContact CD1-CE3 3.54Å; W883-W892 AromaticContact CD1-CZ3 3.89Å; W883-W892 HydrophobicContact CG-CE3 4.11Å; W883-W892 HydrophobicContact CG-CZ3 4Å; T886-W892 HydrophobicContact CG2-CB 4.5Å; T886-W892 HydrophobicContact CG2-CG 4.01Å; S889-W892 PolarHBondContact OG-N 3.35Å; W892-E895 PolarHBondContact O-N 3.27Å; W892-N896 VanDerWaalsContact CD1-ND2 3.31Å; W892-N896 PolarHBondContact NE1-ND2 3.4Å; W892-N896 VanDerWaalsContact NE1-ND2 3.13Å; W892-N896 WeakPolarHBondContact O-CB 3.46Å; W892-N896 PolarHBondContact O-N 3.1Å; W892-N896 VanDerWaalsContact O-N 3.08Å; W892-N896 PolarHBondContact O-ND2 3.49Å; W892-V898 HydrophobicContact CZ3-CG2 4.38Å
893	C	89.6	Confident	89.2	Confident	1 Å²	1	62.5 Å²	62.5	1%	0.007	30%	0.295	C	S	.	.	H	α-helix	trans	-62	-44.5	175	-68.4	0	0	0	0	111.7	W883 S889 T890 Q891 Y897 V898 H900	W883-C893 VanDerWaalsContact CD1-SG 3.59Å; W883-C893 PolarHBondContact NE1-SG 3.33Å; S889-C893 PolarHBondContact O-SG 3.29Å; T890-C893 WeakPolarHBondContact O-CB 3.46Å; T890-C893 PolarHBondContact O-N 3.49Å; Q891-C893 VanDerWaalsContact C-N 3.26Å; Q891-C893 PolarHBondContact O-N 3.47Å; C893-Y897 PolarHBondContact O-N 2.88Å; C893-Y897 VanDerWaalsContact O-N 3.17Å; C893-V898 CarbonylContact C-O 3.5Å; C893-V898 HydrophobicContact CB-CB 4.48Å; C893-V898 VanDerWaalsContact CB-O 3.32Å; C893-V898 WeakPolarHBondContact CB-O 3.06Å; C893-V898 PolarHBondContact O-N 3.33Å; C893-H900 HydrophobicContact CB-CB 3.92Å
894	Y	87.3	Confident	88.9	Confident	169 Å²	169	67.8 Å²	67.8	66%	0.663	32%	0.319	S	S	*	.	H	α-helix	trans	-65.7	-41.7	178.9	-75.2	-67.9	0	0	0	112.8	T890 Q891 Y897	T890-Y894 WeakPolarHBondContact O-CD2 3.46Å; T890-Y894 PolarHBondContact O-N 3.21Å; Q891-Y894 PolarHBondContact O-N 2.73Å; Q891-Y894 VanDerWaalsContact O-N 3.09Å; Y894-Y897 PolarHBondContact O-N 2.75Å
895	E	90.2	Very high	88.5	Confident	118 Å²	118	69.5 Å²	69.5	55%	0.551	32%	0.323	S	S	*	.	H	α-helix	trans	-66.8	-37	-179.6	-72	174.2	-175.1	0	0	112.2	Q891 W892	Q891-E895 WeakPolarHBondContact CG-OE1 3.29Å; Q891-E895 PolarHBondContact NE2-OE1 3.23Å; Q891-E895 WeakPolarHBondContact O-CG 3.48Å; Q891-E895 PolarHBondContact O-N 2.81Å; W892-E895 PolarHBondContact O-N 3.27Å
896	N	90.9	Very high	88.3	Confident	32 Å²	32	62 Å²	62	17%	0.171	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	10	-179.3	-67	-63.6	0	0	0	114.5	F866 W892 V898	F866-N896 HydrophobicContact CE2-CB 4.02Å; F866-N896 HydrophobicContact CZ-CB 3.7Å; W892-N896 VanDerWaalsContact CD1-ND2 3.31Å; W892-N896 PolarHBondContact NE1-ND2 3.4Å; W892-N896 VanDerWaalsContact NE1-ND2 3.13Å; W892-N896 WeakPolarHBondContact O-CB 3.46Å; W892-N896 PolarHBondContact O-N 3.1Å; W892-N896 VanDerWaalsContact O-N 3.08Å; W892-N896 PolarHBondContact O-ND2 3.49Å; N896-V898 HydrophobicContact CB-CG2 4.25Å; N896-V898 PolarHBondContact O-N 3.23Å
897	Y	88.9	Confident	88.3	Confident	44 Å²	44	63.8 Å²	63.8	17%	0.173	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	36	-178.3	-60	-93.3	0	0	0	113.5	Y850 P852 K855 H858 A859 A862 C893 Y894	Y850-Y897 PolarHBondContact N-O 3.42Å; Y850-Y897 WeakPolarHBondContact O-CB 3.36Å; P852-Y897 HydrophobicContact CG-CD1 3.97Å; P852-Y897 HydrophobicContact CG-CE1 4Å; K855-Y897 HydrophobicContact CB-CE1 3.99Å; K855-Y897 HydrophobicContact CD-CE1 4.13Å; K855-Y897 WeakPolarHBondContact CD-OH 3.31Å; H858-Y897 HydrophobicContact CB-CE2 3.79Å; H858-Y897 WeakPolarHBondContact CB-OH 3.41Å; A859-Y897 HydrophobicContact CB-CD1 3.92Å; A859-Y897 HydrophobicContact CB-CD2 4.19Å; A859-Y897 HydrophobicContact CB-CE1 4.39Å; A859-Y897 HydrophobicContact CB-CG 3.81Å; A862-Y897 HydrophobicContact CB-CD2 3.99Å; C893-Y897 PolarHBondContact O-N 2.88Å; C893-Y897 VanDerWaalsContact O-N 3.17Å; Y894-Y897 PolarHBondContact O-N 2.75Å
898	V	88.4	Confident	88.1	Confident	6 Å²	6	59.9 Å²	59.9	4%	0.036	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-102.3	137	174.5	177.9	0	0	0	0	109.2	V848 F866 V879 W892 C893 N896 H900 M903	V848-V898 HydrophobicContact CG1-CG1 4.03Å; V848-V898 CarbonylContact O-C 3.59Å; V848-V898 WeakPolarHBondContact O-CA 3.34Å; F866-V898 HydrophobicContact CE2-CG2 4.28Å; V879-V898 HydrophobicContact CG1-CG1 4.41Å; V879-V898 HydrophobicContact CG1-CG2 4.25Å; W892-V898 HydrophobicContact CZ3-CG2 4.38Å; C893-V898 CarbonylContact C-O 3.5Å; C893-V898 HydrophobicContact CB-CB 4.48Å; C893-V898 VanDerWaalsContact CB-O 3.32Å; C893-V898 WeakPolarHBondContact CB-O 3.06Å; C893-V898 PolarHBondContact O-N 3.33Å; N896-V898 HydrophobicContact CB-CG2 4.25Å; N896-V898 PolarHBondContact O-N 3.23Å; V898-H900 PolarHBondContact O-N 3.28Å; V898-M903 HydrophobicContact CG1-CG 3.42Å; V898-M903 VanDerWaalsContact CG1-CG 3.42Å; V898-M903 HydrophobicContact CG1-SD 3.79Å
899	Q	84.5	Confident	88	Confident	48 Å²	48	57.3 Å²	57.3	22%	0.224	26%	0.259	C	S	.	.			trans	-78.2	109.2	177.6	-60.2	-171.8	8.3	0	0	110.9	A847 V848 R901 S902 M903	A847-Q899 VanDerWaalsContact O-CB 3.26Å; A847-Q899 WeakPolarHBondContact O-CB 3.14Å; A847-Q899 WeakPolarHBondContact O-CG 3.14Å; A847-Q899 PolarHBondContact O-OE1 2.67Å; V848-Q899 PolarHBondContact O-N 2.89Å; Q899-R901 PolarHBondContact O-N 2.91Å; Q899-R901 VanDerWaalsContact O-N 3.11Å; Q899-S902 WeakPolarHBondContact O-CB 3.47Å; Q899-S902 PolarHBondContact O-N 3.49Å; Q899-S902 PolarHBondContact OE1-OG 3.16Å; Q899-M903 PolarHBondContact O-N 2.91Å; Q899-M903 VanDerWaalsContact O-N 3.13Å
900	H	85.9	Confident	88.1	Confident	55 Å²	55	56.4 Å²	56.4	26%	0.255	25%	0.249	S	C	.	.	H	α-helix	trans	-52.2	-38	179.4	177.6	70.2	0	0	0	113.2	W883 C893 V898 M903 K904	W883-H900 AromaticContact CZ2-CE1 3.86Å; W883-H900 AromaticContact CZ2-ND1 3.81Å; C893-H900 HydrophobicContact CB-CB 3.92Å; V898-H900 PolarHBondContact O-N 3.28Å; H900-M903 PolarHBondContact O-N 3.41Å; H900-K904 WeakPolarHBondContact O-CB 3.47Å; H900-K904 PolarHBondContact O-N 3.34Å
901	R	79.5	Confident	88.2	Confident	94 Å²	94	56.4 Å²	56.4	36%	0.355	25%	0.246	S	C	.	.	H	α-helix	trans	-67.6	-39.6	-179.4	-172.3	172.4	-145.9	-141.9	0.8	113.5	S648 Q899 M903 K904 R905	S648-R901 PolarHBondContact OG-NH1 3.41Å; S648-R901 PolarHBondContact OG-NH2 2.93Å; Q899-R901 PolarHBondContact O-N 2.91Å; Q899-R901 VanDerWaalsContact O-N 3.11Å; R901-M903 VanDerWaalsContact C-N 3.32Å; R901-K904 PolarHBondContact O-N 3.43Å; R901-R905 WeakPolarHBondContact O-CG 3.48Å; R901-R905 PolarHBondContact O-N 3.49Å
902	S	85.2	Confident	87.9	Confident	5 Å²	5	54.8 Å²	54.8	4%	0.035	24%	0.239	C	C	.	.	H	α-helix	trans	-64.6	-42.2	175.8	-60.8	0	0	0	0	109.9	A847 Q899 R905 A906	A847-S902 VanDerWaalsContact CB-OG 3.28Å; A847-S902 WeakPolarHBondContact CB-OG 3.22Å; A847-S902 WeakPolarHBondContact O-CB 3.45Å; A847-S902 PolarHBondContact O-OG 2.77Å; Q899-S902 WeakPolarHBondContact O-CB 3.47Å; Q899-S902 PolarHBondContact O-N 3.49Å; Q899-S902 PolarHBondContact OE1-OG 3.16Å; S902-R905 PolarHBondContact O-N 3.13Å; S902-A906 PolarHBondContact O-N 3.41Å
903	M	89.1	Confident	87.8	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-42.3	174.7	-64	-56.3	-66.4	0	0	112.8	M841 V848 V879 Y880 W883 V898 Q899 H900 R901 R905 A906 R907	M841-M903 HydrophobicContact CE-CE 4.04Å; M841-M903 HydrophobicContact CE-SD 3.71Å; M841-M903 HydrophobicContact SD-CE 4.05Å; M841-M903 HydrophobicContact SD-SD 4.02Å; V848-M903 HydrophobicContact CG1-SD 3.94Å; V879-M903 HydrophobicContact CG1-CE 4.12Å; V879-M903 HydrophobicContact CG1-SD 4.23Å; Y880-M903 HydrophobicContact CD2-CE 3.85Å; Y880-M903 HydrophobicContact CG-CE 4.46Å; W883-M903 HydrophobicContact CB-CE 4Å; W883-M903 HydrophobicContact CD2-CB 3.92Å; W883-M903 HydrophobicContact CD2-CE 3.92Å; W883-M903 HydrophobicContact CD2-CG 4.37Å; W883-M903 HydrophobicContact CE3-CB 3.72Å; W883-M903 HydrophobicContact CE3-CE 3.52Å; W883-M903 HydrophobicContact CE3-CG 4.4Å; W883-M903 HydrophobicContact CG-CE 4.15Å; W883-M903 HydrophobicContact CH2-CB 3.63Å; W883-M903 HydrophobicContact CZ2-CB 3.83Å; W883-M903 HydrophobicContact CZ3-CB 3.56Å; W883-M903 HydrophobicContact CZ3-CE 4.29Å; W883-M903 WeakPolarHBondContact CZ3-O 3.03Å; V898-M903 HydrophobicContact CG1-CG 3.42Å; V898-M903 VanDerWaalsContact CG1-CG 3.42Å; V898-M903 HydrophobicContact CG1-SD 3.79Å; Q899-M903 PolarHBondContact O-N 2.91Å; Q899-M903 VanDerWaalsContact O-N 3.13Å; H900-M903 PolarHBondContact O-N 3.41Å; R901-M903 VanDerWaalsContact C-N 3.32Å; M903-R905 PolarHBondContact O-N 3.45Å; M903-A906 WeakPolarHBondContact O-CB 3.29Å; M903-A906 PolarHBondContact O-N 3.09Å; M903-R907 PolarHBondContact O-N 3.28Å
904	K	87.4	Confident	87.8	Confident	115 Å²	115	55.9 Å²	55.9	50%	0.5	25%	0.245	S	C	.	.	H	α-helix	trans	-60.1	-45.3	174.1	-174.3	176.4	178.1	177.6	0	111.5	H900 R901 A906 R907 D908	H900-K904 WeakPolarHBondContact O-CB 3.47Å; H900-K904 PolarHBondContact O-N 3.34Å; R901-K904 PolarHBondContact O-N 3.43Å; K904-A906 VanDerWaalsContact C-N 3.35Å; K904-A906 PolarHBondContact O-N 2.73Å; K904-R907 WeakPolarHBondContact O-CB 3.44Å; K904-R907 PolarHBondContact O-N 3.21Å; K904-D908 PolarHBondContact O-N 3.23Å
905	R	83.3	Confident	87.9	Confident	110 Å²	110	49.4 Å²	49.4	42%	0.415	23%	0.229	S	C	.	.	H	α-helix	trans	-61	-42.4	173.8	-74.3	178.8	177.6	175.3	0.3	112.1	V844 R901 S902 M903 R907 D908 V909	V844-R905 HydrophobicContact CG2-CB 4.36Å; R901-R905 WeakPolarHBondContact O-CG 3.48Å; R901-R905 PolarHBondContact O-N 3.49Å; S902-R905 PolarHBondContact O-N 3.13Å; M903-R905 PolarHBondContact O-N 3.45Å; R905-R907 VanDerWaalsContact C-N 3.27Å; R905-R907 PolarHBondContact O-N 3.4Å; R905-D908 PolarHBondContact O-N 3.32Å; R905-V909 WeakPolarHBondContact O-CB 3.45Å; R905-V909 WeakPolarHBondContact O-CG2 3.23Å; R905-V909 PolarHBondContact O-N 3Å
906	A	89.8	Confident	87.7	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.4	-39.5	176.6	0	0	0	0	0	111.2	S840 M841 V844 S902 M903 K904 V909 R910	S840-A906 WeakPolarHBondContact CB-O 3.21Å; M841-A906 HydrophobicContact SD-CB 3.7Å; V844-A906 HydrophobicContact CG2-CB 4.07Å; S902-A906 PolarHBondContact O-N 3.41Å; M903-A906 WeakPolarHBondContact O-CB 3.29Å; M903-A906 PolarHBondContact O-N 3.09Å; K904-A906 VanDerWaalsContact C-N 3.35Å; K904-A906 PolarHBondContact O-N 2.73Å; A906-V909 PolarHBondContact O-N 2.89Å; A906-R910 WeakPolarHBondContact O-CB 3.17Å; A906-R910 PolarHBondContact O-N 3.05Å
907	R	90.9	Very high	87.6	Confident	89 Å²	89	44 Å²	44	34%	0.336	20%	0.204	S	C	.	.	H	α-helix	trans	-63.5	-48.2	172	179.7	-178.6	174	179.1	0.6	112.4	Y880 W883 Y888 M903 K904 R905 V909 R910 D911	Y880-R907 HydrophobicContact CE2-CB 4.42Å; W883-R907 HydrophobicContact CZ3-CB 4.25Å; Y888-R907 VanDerWaalsContact CE2-NH1 3.26Å; M903-R907 PolarHBondContact O-N 3.28Å; K904-R907 WeakPolarHBondContact O-CB 3.44Å; K904-R907 PolarHBondContact O-N 3.21Å; R905-R907 VanDerWaalsContact C-N 3.27Å; R905-R907 PolarHBondContact O-N 3.4Å; R907-V909 PolarHBondContact O-N 3.21Å; R907-R910 WeakPolarHBondContact O-CB 3.17Å; R907-R910 PolarHBondContact O-N 2.8Å; R907-R910 VanDerWaalsContact O-N 3.08Å; R907-D911 IonicContact NE-OD2 3.45Å; R907-D911 VanDerWaalsContact O-CG 3.31Å; R907-D911 PolarHBondContact O-N 3.23Å
908	D	86.7	Confident	87.4	Confident	61 Å²	61	45.9 Å²	45.9	33%	0.326	22%	0.217	S	C	.	.	H	α-helix	trans	-59.9	-37	178.7	-59.8	-27.5	0	0	0	111.4	K904 R905 Q912	K904-D908 PolarHBondContact O-N 3.23Å; R905-D908 PolarHBondContact O-N 3.32Å; D908-Q912 WeakPolarHBondContact O-CG 3.22Å; D908-Q912 PolarHBondContact O-N 3.05Å
909	V	88.1	Confident	87.1	Confident	6 Å²	6	47.8 Å²	47.8	4%	0.036	22%	0.224	C	C	.	.	H	α-helix	trans	-68	-43.8	174.2	172.8	0	0	0	0	111	F477 R905 A906 R907 Q912 L913	F477-V909 HydrophobicContact CD1-CB 4.45Å; F477-V909 HydrophobicContact CD1-CG2 3.86Å; F477-V909 HydrophobicContact CD2-CG2 3.82Å; F477-V909 HydrophobicContact CE1-CB 4.3Å; F477-V909 HydrophobicContact CE1-CG1 3.96Å; F477-V909 HydrophobicContact CE1-CG2 3.83Å; F477-V909 HydrophobicContact CE2-CG2 3.76Å; F477-V909 HydrophobicContact CG-CG2 3.87Å; F477-V909 HydrophobicContact CZ-CG1 4.08Å; F477-V909 HydrophobicContact CZ-CG2 3.76Å; R905-V909 WeakPolarHBondContact O-CB 3.45Å; R905-V909 WeakPolarHBondContact O-CG2 3.23Å; R905-V909 PolarHBondContact O-N 3Å; A906-V909 PolarHBondContact O-N 2.89Å; R907-V909 PolarHBondContact O-N 3.21Å; V909-Q912 PolarHBondContact O-N 2.85Å; V909-L913 HydrophobicContact CG1-CD1 3.79Å; V909-L913 HydrophobicContact CG1-CG 4.19Å; V909-L913 WeakPolarHBondContact O-CB 2.99Å; V909-L913 WeakPolarHBondContact O-CG 3.45Å; V909-L913 PolarHBondContact O-N 3.13Å
910	R	91.8	Very high	87	Confident	22 Å²	22	45.8 Å²	45.8	8%	0.083	21%	0.214	C	C	.	.	H	α-helix	trans	-58	-52.1	177.8	-170.7	-169.7	169.7	-76.5	-3	111	E833 L836 T837 S840 Y880 A906 R907 Q912 L913 E914	E833-R910 IonicContact OE1-NH2 2.55Å; L836-R910 HydrophobicContact CD2-CG 4.14Å; L836-R910 HydrophobicContact CG-CG 3.94Å; T837-R910 PolarHBondContact OG1-NE 3.3Å; S840-R910 WeakPolarHBondContact OG-CA 3.32Å; S840-R910 WeakPolarHBondContact OG-CB 3.27Å; S840-R910 PolarHBondContact OG-N 3.1Å; Y880-R910 VanDerWaalsContact OH-CD 3.22Å; Y880-R910 WeakPolarHBondContact OH-CD 3.5Å; A906-R910 WeakPolarHBondContact O-CB 3.17Å; A906-R910 PolarHBondContact O-N 3.05Å; R907-R910 WeakPolarHBondContact O-CB 3.17Å; R907-R910 PolarHBondContact O-N 2.8Å; R907-R910 VanDerWaalsContact O-N 3.08Å; R910-Q912 PolarHBondContact O-N 2.75Å; R910-L913 PolarHBondContact O-N 3.28Å; R910-E914 IonicContact CZ-OE2 3.57Å; R910-E914 IonicContact NH1-OE2 2.87Å; R910-E914 PolarHBondContact NH1-OE2 3.4Å; R910-E914 IonicContact NH2-OE2 3.5Å; R910-E914 WeakPolarHBondContact O-CB 3.09Å; R910-E914 PolarHBondContact O-N 2.75Å
911	D	90.7	Very high	86.9	Confident	74 Å²	74	46 Å²	46	40%	0.396	22%	0.216	S	C	.	.	H	α-helix	trans	-61	-32.2	-178.3	-63.9	-7.4	0	0	0	111.5	R907 G915	R907-D911 IonicContact NE-OD2 3.45Å; R907-D911 VanDerWaalsContact O-CG 3.31Å; R907-D911 PolarHBondContact O-N 3.23Å; D911-G915 PolarHBondContact O-N 2.74Å
912	Q	85	Confident	87.1	Confident	71 Å²	71	41.7 Å²	41.7	33%	0.332	20%	0.2	S	C	.	.	H	α-helix	trans	-79.2	-41.7	176.3	-73.9	-179.8	36.9	0	0	113.9	F477 D908 V909 R910 E914 G915 L916	F477-Q912 VanDerWaalsContact C-NE2 3.26Å; F477-Q912 VanDerWaalsContact CA-NE2 3.3Å; F477-Q912 VanDerWaalsContact CA-OE1 3.22Å; F477-Q912 VanDerWaalsContact CD1-OE1 3.25Å; F477-Q912 PolarHBondContact O-NE2 3.5Å; D908-Q912 WeakPolarHBondContact O-CG 3.22Å; D908-Q912 PolarHBondContact O-N 3.05Å; V909-Q912 PolarHBondContact O-N 2.85Å; R910-Q912 PolarHBondContact O-N 2.75Å; Q912-E914 PolarHBondContact O-N 3.49Å; Q912-G915 PolarHBondContact O-N 3.31Å; Q912-L916 WeakPolarHBondContact O-CG 3.48Å; Q912-L916 PolarHBondContact O-N 3.32Å
913	L	89.7	Confident	87.1	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-36.3	173.8	-75.2	176.3	0	0	0	110.2	F813 P814 T815 L823 L836 A839 V909 R910 L916 M917	F813-L913 HydrophobicContact CD1-CD2 3.92Å; P814-L913 HydrophobicContact CG-CD2 4.32Å; T815-L913 HydrophobicContact CG2-CD2 4.38Å; L823-L913 HydrophobicContact CD1-CD2 4.34Å; L836-L913 HydrophobicContact CD1-CB 3.25Å; L836-L913 HydrophobicContact CD1-CD1 4.12Å; L836-L913 HydrophobicContact CD1-CG 4.34Å; A839-L913 HydrophobicContact CB-CD1 4.46Å; V909-L913 HydrophobicContact CG1-CD1 3.79Å; V909-L913 HydrophobicContact CG1-CG 4.19Å; V909-L913 WeakPolarHBondContact O-CB 2.99Å; V909-L913 WeakPolarHBondContact O-CG 3.45Å; V909-L913 PolarHBondContact O-N 3.13Å; R910-L913 PolarHBondContact O-N 3.28Å; L913-L916 HydrophobicContact CD2-CD1 4.41Å; L913-L916 CarbonylContact O-C 3.5Å; L913-L916 PolarHBondContact O-N 2.73Å; L913-M917 WeakPolarHBondContact O-CB 3.33Å; L913-M917 VanDerWaalsContact O-CG 3.28Å; L913-M917 WeakPolarHBondContact O-CG 3.27Å; L913-M917 PolarHBondContact O-N 2.8Å
914	E	91.4	Very high	87	Confident	54 Å²	54	51.4 Å²	51.4	25%	0.252	25%	0.246	S	C	.	.	H	α-helix	trans	-56.5	-51	170.6	-159.7	173	155.3	0	0	110.8	L836 R910 Q912 L916 M917 D918 L924	L836-E914 HydrophobicContact CD2-CB 3.98Å; L836-E914 HydrophobicContact CD2-CG 4.14Å; R910-E914 IonicContact CZ-OE2 3.57Å; R910-E914 IonicContact NH1-OE2 2.87Å; R910-E914 PolarHBondContact NH1-OE2 3.4Å; R910-E914 IonicContact NH2-OE2 3.5Å; R910-E914 WeakPolarHBondContact O-CB 3.09Å; R910-E914 PolarHBondContact O-N 2.75Å; Q912-E914 PolarHBondContact O-N 3.49Å; E914-L916 VanDerWaalsContact C-N 3.27Å; E914-L916 PolarHBondContact O-N 2.87Å; E914-M917 WeakPolarHBondContact O-CB 3.19Å; E914-M917 PolarHBondContact O-N 3.19Å; E914-M917 VanDerWaalsContact O-N 3.15Å; E914-D918 PolarHBondContact O-N 3.5Å; E914-L924 HydrophobicContact CG-CD1 3.49Å; E914-L924 VanDerWaalsContact CG-CD1 3.49Å; E914-L924 HydrophobicContact CG-CD2 4.46Å; E914-L924 WeakPolarHBondContact OE1-CD1 3.35Å
915	G	87.6	Confident	87	Confident	32 Å²	32	49 Å²	49	33%	0.33	24%	0.237	S	C	.	.	H	α-helix	trans	-62.4	-28.9	175.8	0	0	0	0	0	114.7	D911 Q912 R919	D911-G915 PolarHBondContact O-N 2.74Å; Q912-G915 PolarHBondContact O-N 3.31Å; G915-R919 PolarHBondContact O-N 3.11Å
916	L	86	Confident	87.1	Confident	37 Å²	37	46.1 Å²	46.1	19%	0.194	23%	0.233	C	C	.	.	H	α-helix	trans	-78.4	-36.5	173.5	-70.1	172.9	0	0	0	112.1	F813 P814 Q912 L913 E914 D918 R919 V920	F813-L916 HydrophobicContact CD1-CB 4.26Å; F813-L916 HydrophobicContact CD1-CD1 4.49Å; F813-L916 HydrophobicContact CE1-CB 3.9Å; P814-L916 VanDerWaalsContact CD-CD1 3.44Å; P814-L916 HydrophobicContact CG-CD1 4.14Å; Q912-L916 WeakPolarHBondContact O-CG 3.48Å; Q912-L916 PolarHBondContact O-N 3.32Å; L913-L916 HydrophobicContact CD2-CD1 4.41Å; L913-L916 CarbonylContact O-C 3.5Å; L913-L916 PolarHBondContact O-N 2.73Å; E914-L916 VanDerWaalsContact C-N 3.27Å; E914-L916 PolarHBondContact O-N 2.87Å; L916-D918 VanDerWaalsContact C-N 3.31Å; L916-D918 PolarHBondContact O-N 2.99Å; L916-R919 WeakPolarHBondContact O-CB 3.33Å; L916-R919 PolarHBondContact O-N 3.04Å; L916-R919 VanDerWaalsContact O-N 3.11Å; L916-V920 WeakPolarHBondContact O-CB 3.46Å; L916-V920 WeakPolarHBondContact O-CG2 3.2Å; L916-V920 PolarHBondContact O-N 3.38Å
917	M	88.7	Confident	86.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.1	-42.5	173	-73.7	177.5	75.2	0	0	110.6	F813 L823 L836 L913 E914 R919 V920 E921 I922 L924	F813-M917 HydrophobicContact CE1-CG 3.96Å; F813-M917 HydrophobicContact CZ-CG 4.14Å; L823-M917 HydrophobicContact CD2-SD 4.34Å; L836-M917 HydrophobicContact CB-SD 4.2Å; L836-M917 HydrophobicContact CD1-SD 3.83Å; L836-M917 HydrophobicContact CD2-SD 4.21Å; L836-M917 HydrophobicContact CG-SD 4.29Å; L913-M917 WeakPolarHBondContact O-CB 3.33Å; L913-M917 VanDerWaalsContact O-CG 3.28Å; L913-M917 WeakPolarHBondContact O-CG 3.27Å; L913-M917 PolarHBondContact O-N 2.8Å; E914-M917 WeakPolarHBondContact O-CB 3.19Å; E914-M917 PolarHBondContact O-N 3.19Å; E914-M917 VanDerWaalsContact O-N 3.15Å; M917-R919 VanDerWaalsContact C-N 3.29Å; M917-R919 PolarHBondContact O-N 2.97Å; M917-V920 CarbonylContact O-C 3.49Å; M917-V920 PolarHBondContact O-N 3.09Å; M917-E921 PolarHBondContact O-N 3.13Å; M917-I922 HydrophobicContact CB-CB 4.22Å; M917-I922 HydrophobicContact CE-CB 4.11Å; M917-I922 HydrophobicContact CE-CG2 3.45Å; M917-I922 VanDerWaalsContact CE-CG2 3.45Å; M917-I922 PolarHBondContact O-N 3.01Å; M917-L924 HydrophobicContact CE-CD2 3.97Å; M917-L924 HydrophobicContact SD-CD2 4.18Å
918	D	86.5	Confident	85.7	Confident	83 Å²	83	52.5 Å²	52.5	44%	0.444	27%	0.273	S	S	.	.	H	α-helix	trans	-59.9	-38.2	171.9	-75.1	-12.6	0	0	0	112.9	K187 E914 L916 E921	K187-D918 PolarHBondContact NZ-O 3.44Å; E914-D918 PolarHBondContact O-N 3.5Å; L916-D918 VanDerWaalsContact C-N 3.31Å; L916-D918 PolarHBondContact O-N 2.99Å; D918-E921 PolarHBondContact O-N 3.45Å
919	R	80.8	Confident	85	Confident	47 Å²	47	53.2 Å²	53.2	18%	0.177	30%	0.296	C	S	.	.	H	α-helix	trans	-64.8	-43.6	176.9	-169.5	179.8	-167	-158.3	6.9	110.5	L184 K187 D188 E812 G915 L916 M917 E921	L184-R919 HydrophobicContact CD2-CG 3.5Å; L184-R919 VanDerWaalsContact CD2-CG 3.5Å; K187-R919 PolarHBondContact NZ-O 2.93Å; D188-R919 IonicContact OD1-CZ 3.78Å; D188-R919 IonicContact OD1-NE 3.9Å; D188-R919 IonicContact OD1-NH2 2.72Å; D188-R919 PolarHBondContact OD1-NH2 3.06Å; D188-R919 IonicContact OD2-CZ 3.56Å; D188-R919 IonicContact OD2-NH2 2.74Å; D188-R919 PolarHBondContact OD2-NH2 3.26Å; E812-R919 IonicContact OE2-CZ 3.94Å; E812-R919 IonicContact OE2-NH1 2.69Å; E812-R919 PolarHBondContact OE2-NH1 3.06Å; G915-R919 PolarHBondContact O-N 3.11Å; L916-R919 WeakPolarHBondContact O-CB 3.33Å; L916-R919 PolarHBondContact O-N 3.04Å; L916-R919 VanDerWaalsContact O-N 3.11Å; M917-R919 VanDerWaalsContact C-N 3.29Å; M917-R919 PolarHBondContact O-N 2.97Å; R919-E921 VanDerWaalsContact C-N 3.27Å; R919-E921 PolarHBondContact O-N 3.36Å
920	V	83.4	Confident	84.8	Confident	5 Å²	5	55.7 Å²	55.7	3%	0.03	31%	0.308	C	S	.	.	H	α-helix	trans	-79.9	-4.8	-178.2	177.9	0	0	0	0	113.4	R809 E812 F813 M824 L916 M917 I922	R809-V920 HydrophobicContact CB-CG1 3.73Å; R809-V920 HydrophobicContact CG-CG1 3.67Å; E812-V920 HydrophobicContact CB-CG2 3.91Å; E812-V920 HydrophobicContact CG-CG2 4.21Å; F813-V920 HydrophobicContact CE2-CB 4.29Å; F813-V920 HydrophobicContact CE2-CG1 4.19Å; F813-V920 HydrophobicContact CE2-CG2 3.82Å; F813-V920 HydrophobicContact CZ-CB 4.2Å; F813-V920 HydrophobicContact CZ-CG1 4.46Å; F813-V920 HydrophobicContact CZ-CG2 3.94Å; M824-V920 HydrophobicContact SD-CG1 4.19Å; L916-V920 WeakPolarHBondContact O-CB 3.46Å; L916-V920 WeakPolarHBondContact O-CG2 3.2Å; L916-V920 PolarHBondContact O-N 3.38Å; M917-V920 CarbonylContact O-C 3.49Å; M917-V920 PolarHBondContact O-N 3.09Å; V920-I922 HydrophobicContact CG1-CD1 4.03Å; V920-I922 HydrophobicContact CG1-CG1 4.23Å
921	E	83.6	Confident	84.6	Confident	61 Å²	61	57.2 Å²	57.2	29%	0.285	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	42.4	-179.6	-54.3	171.3	161.6	0	0	113.5	R183 K187 M917 D918 R919	R183-E921 IonicContact CZ-OE1 3.4Å; R183-E921 IonicContact CZ-OE2 2.65Å; R183-E921 VanDerWaalsContact CZ-OE2 3.29Å; R183-E921 IonicContact NE-OE1 3.87Å; R183-E921 IonicContact NH1-OE1 2.67Å; R183-E921 PolarHBondContact NH1-OE1 2.86Å; R183-E921 IonicContact NH1-OE2 3.52Å; R183-E921 PolarHBondContact NH1-OE2 3.13Å; R183-E921 IonicContact NH2-OE2 3.86Å; R183-E921 PolarHBondContact NH2-OE2 3.16Å; K187-E921 IonicContact NZ-OE1 3.45Å; M917-E921 PolarHBondContact O-N 3.13Å; D918-E921 PolarHBondContact O-N 3.45Å; R919-E921 VanDerWaalsContact C-N 3.27Å; R919-E921 PolarHBondContact O-N 3.36Å
922	I	84.1	Confident	84.7	Confident	3 Å²	3	56.1 Å²	56.1	2%	0.015	32%	0.316	C	S	.	.			trans	-103.3	119.1	173	-60.7	171.3	0	0	0	108.7	F813 M824 E827 M917 V920	F813-I922 HydrophobicContact CZ-CD1 4.45Å; M824-I922 HydrophobicContact CE-CD1 3.06Å; M824-I922 HydrophobicContact SD-CD1 3.56Å; M824-I922 VanDerWaalsContact SD-CD1 3.56Å; E827-I922 HydrophobicContact CB-CG2 4.09Å; E827-I922 HydrophobicContact CG-CG2 4.36Å; M917-I922 HydrophobicContact CB-CB 4.22Å; M917-I922 HydrophobicContact CE-CB 4.11Å; M917-I922 HydrophobicContact CE-CG2 3.45Å; M917-I922 VanDerWaalsContact CE-CG2 3.45Å; M917-I922 PolarHBondContact O-N 3.01Å; V920-I922 HydrophobicContact CG1-CD1 4.03Å; V920-I922 HydrophobicContact CG1-CG1 4.23Å
923	E	84.8	Confident	84.9	Confident	140 Å²	140	53 Å²	53	65%	0.654	30%	0.303	S	S	*	.			trans	-74.4	138.5	177.9	-63.2	-175.1	173	0	0	110.9	S832 E925	S832-E923 PolarHBondContact OG-O 3.19Å; S832-E923 VanDerWaalsContact OG-O 3.07Å; E923-E925 PolarHBondContact O-N 3.24Å; E923-E925 VanDerWaalsContact O-N 3.16Å
924	L	86.8	Confident	85.1	Confident	69 Å²	69	53.5 Å²	53.5	36%	0.361	31%	0.305	S	S	.	.			trans	-82.3	91.8	175.4	-62.8	169.2	0	0	0	109.5	L836 E914 M917	L836-L924 HydrophobicContact CD2-CD2 4.04Å; E914-L924 HydrophobicContact CG-CD1 3.49Å; E914-L924 VanDerWaalsContact CG-CD1 3.49Å; E914-L924 HydrophobicContact CG-CD2 4.46Å; E914-L924 WeakPolarHBondContact OE1-CD1 3.35Å; M917-L924 HydrophobicContact CE-CD2 3.97Å; M917-L924 HydrophobicContact SD-CD2 4.18Å
925	E	88.1	Confident	85.2	Confident	63 Å²	63	52.6 Å²	52.6	29%	0.294	30%	0.3	S	S	.	.			trans	-96.8	146.7	165.3	-59.6	-169	149.8	0	0	110.8	K830 S832 E833 E923	K830-E925 HydrophobicContact CB-CB 4.32Å; K830-E925 WeakPolarHBondContact CB-OE2 3.36Å; K830-E925 WeakPolarHBondContact CD-OE2 3.47Å; K830-E925 WeakPolarHBondContact CG-OE2 3.26Å; K830-E925 IonicContact NZ-OE1 3.88Å; K830-E925 IonicContact NZ-OE2 3.41Å; S832-E925 PolarHBondContact N-O 3.33Å; S832-E925 WeakPolarHBondContact OG-CA 3.2Å; S832-E925 PolarHBondContact OG-N 3.26Å; S832-E925 PolarHBondContact OG-O 3.09Å; E833-E925 PolarHBondContact N-O 3.05Å; E833-E925 VanDerWaalsContact N-O 3.13Å; E923-E925 PolarHBondContact O-N 3.24Å; E923-E925 VanDerWaalsContact O-N 3.16Å
926	S	84.9	Confident	85.4	Confident	50 Å²	50	53 Å²	53	35%	0.35	29%	0.292	S	S	.	.			trans	-123.6	140.6	170.3	167.4	0	0	0	0	109	K830 E834	K830-S926 CarbonylContact O-C 3.45Å; E834-S926 WeakPolarHBondContact OE1-CB 3.33Å; E834-S926 PolarHBondContact OE1-OG 2.79Å
927	N	78.3	Confident	85.7	Confident	63 Å²	63	51.2 Å²	51.2	34%	0.337	28%	0.283	S	S	.	.			trans	-121.6	84.1	174.7	-171.8	3.2	0	0	0	108.9	K830 E834 G929 D930	K830-N927 WeakPolarHBondContact O-CB 3.29Å; K830-N927 PolarHBondContact O-N 3.26Å; E834-N927 PolarHBondContact OE1-N 2.85Å; N927-G929 PolarHBondContact O-N 3.44Å; N927-G929 VanDerWaalsContact O-N 3.08Å; N927-D930 WeakPolarHBondContact ND2-CB 3.32Å; N927-D930 PolarHBondContact ND2-OD2 3.1Å; N927-D930 PolarHBondContact O-N 2.73Å
928	L	72.1	Confident	86	Confident	160 Å²	160	51.2 Å²	51.2	84%	0.838	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	113	-175.3	-68.7	167	0	0	0	111.4
929	G	73.8	Confident	86.3	Confident	77 Å²	77	47.2 Å²	47.2	79%	0.794	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	98	-9.2	171.9	0	0	0	0	0	115.8	N927 T931	N927-G929 PolarHBondContact O-N 3.44Å; N927-G929 VanDerWaalsContact O-N 3.08Å; G929-T931 PolarHBondContact O-N 3.43Å; G929-T931 VanDerWaalsContact O-N 3.15Å
930	D	83.4	Confident	86.9	Confident	57 Å²	57	45.4 Å²	45.4	31%	0.305	26%	0.256	S	S	.	.			trans	-85.5	88.5	177.5	-169.2	-2.9	0	0	0	112	N927 V932 A933	N927-D930 WeakPolarHBondContact ND2-CB 3.32Å; N927-D930 PolarHBondContact ND2-OD2 3.1Å; N927-D930 PolarHBondContact O-N 2.73Å; D930-V932 PolarHBondContact O-N 3.41Å; D930-V932 WeakPolarHBondContact OD1-CA 3.21Å; D930-V932 WeakPolarHBondContact OD1-CB 3.48Å; D930-V932 PolarHBondContact OD1-N 3.46Å; D930-A933 HydrophobicContact CB-CB 4.17Å; D930-A933 PolarHBondContact OD1-N 3.08Å; D930-A933 VanDerWaalsContact OD1-N 3.17Å; D930-A933 WeakPolarHBondContact OD2-CB 3.45Å
931	T	88	Confident	87.3	Confident	54 Å²	54	45.1 Å²	45.1	33%	0.331	26%	0.255	S	S	.	.	H	α-helix	trans	-66.2	-20.9	174.1	65.2	0	0	0	0	112.9	L874 G929 R935	L874-T931 HydrophobicContact CD1-CG2 4.18Å; G929-T931 PolarHBondContact O-N 3.43Å; G929-T931 VanDerWaalsContact O-N 3.15Å; T931-R935 WeakPolarHBondContact O-CB 3.22Å; T931-R935 WeakPolarHBondContact O-CG 3.46Å; T931-R935 PolarHBondContact O-N 3.44Å; T931-R935 PolarHBondContact O-NE 3.36Å; T931-R935 VanDerWaalsContact O-NE 3.11Å; T931-R935 PolarHBondContact OG1-NH2 3.38Å
932	V	91.4	Very high	87.8	Confident	52 Å²	52	42.4 Å²	42.4	32%	0.315	24%	0.242	S	C	.	.	H	α-helix	trans	-75.5	-43.2	-178	176.4	0	0	0	0	109.8	D930 I934 R935 K936 W1003	D930-V932 PolarHBondContact O-N 3.41Å; D930-V932 WeakPolarHBondContact OD1-CA 3.21Å; D930-V932 WeakPolarHBondContact OD1-CB 3.48Å; D930-V932 PolarHBondContact OD1-N 3.46Å; V932-I934 PolarHBondContact O-N 3.46Å; V932-R935 PolarHBondContact O-N 2.84Å; V932-K936 HydrophobicContact CG1-CD 4.33Å; V932-K936 HydrophobicContact CG1-CG 4.32Å; V932-K936 WeakPolarHBondContact O-CG 3.37Å; V932-K936 PolarHBondContact O-N 3.05Å; V932-W1003 HydrophobicContact CG1-CH2 3.98Å; V932-W1003 HydrophobicContact CG1-CZ2 3.59Å; V932-W1003 HydrophobicContact CG2-CZ2 4.49Å
933	A	90.9	Very high	88.1	Confident	6 Å²	6	42.5 Å²	42.5	5%	0.05	24%	0.242	C	C	.	.	H	α-helix	trans	-55.5	-48.4	175	0	0	0	0	0	112.2	C831 D930 R935 K936 A937	C831-A933 HydrophobicContact CB-CB 4.49Å; D930-A933 HydrophobicContact CB-CB 4.17Å; D930-A933 PolarHBondContact OD1-N 3.08Å; D930-A933 VanDerWaalsContact OD1-N 3.17Å; D930-A933 WeakPolarHBondContact OD2-CB 3.45Å; A933-R935 PolarHBondContact O-N 3.24Å; A933-K936 PolarHBondContact O-N 2.75Å; A933-A937 PolarHBondContact O-N 2.84Å
934	I	92.4	Very high	88.3	Confident	10 Å²	10	38.7 Å²	38.7	5%	0.051	22%	0.222	C	C	.	.	H	α-helix	trans	-60	-46.7	178.1	-61.3	171.6	0	0	0	110.5	C831 E834 I835 I838 L874 L877 V932 K936 A937 I938	C831-I934 HydrophobicContact CB-CG1 3.99Å; E834-I934 HydrophobicContact CB-CD1 3.81Å; E834-I934 HydrophobicContact CB-CG1 4.14Å; E834-I934 HydrophobicContact CG-CD1 3.95Å; I835-I934 HydrophobicContact CD1-CG2 3.84Å; I838-I934 HydrophobicContact CD1-CG2 3.62Å; L874-I934 HydrophobicContact CD2-CB 4.46Å; L874-I934 HydrophobicContact CD2-CD1 4.15Å; L874-I934 HydrophobicContact CD2-CG2 3.97Å; L877-I934 HydrophobicContact CD2-CD1 4.2Å; V932-I934 PolarHBondContact O-N 3.46Å; I934-K936 PolarHBondContact O-N 3.23Å; I934-A937 PolarHBondContact O-N 3.45Å; I934-I938 HydrophobicContact CG2-CD1 3.97Å; I934-I938 WeakPolarHBondContact O-CG1 3.41Å; I934-I938 PolarHBondContact O-N 2.99Å
935	R	93.4	Very high	88.4	Confident	36 Å²	36	36.6 Å²	36.6	14%	0.136	21%	0.211	C	C	.	.	H	α-helix	trans	-65.9	-36.4	179.5	-69.7	-175.5	-81.5	173.6	-5.5	112.8	T931 V932 A933 I938 T939 V997 E998 W1003	T931-R935 WeakPolarHBondContact O-CB 3.22Å; T931-R935 WeakPolarHBondContact O-CG 3.46Å; T931-R935 PolarHBondContact O-N 3.44Å; T931-R935 PolarHBondContact O-NE 3.36Å; T931-R935 VanDerWaalsContact O-NE 3.11Å; T931-R935 PolarHBondContact OG1-NH2 3.38Å; V932-R935 PolarHBondContact O-N 2.84Å; A933-R935 PolarHBondContact O-N 3.24Å; R935-I938 PolarHBondContact O-N 2.64Å; R935-T939 WeakPolarHBondContact O-CB 3.28Å; R935-T939 PolarHBondContact O-N 3.47Å; R935-T939 PolarHBondContact O-OG1 3.02Å; R935-V997 HydrophobicContact CB-CG1 4.26Å; R935-V997 HydrophobicContact CG-CG1 3.57Å; R935-E998 WeakPolarHBondContact CD-O 3.44Å; R935-W1003 HydrophobicContact CB-CE3 4.5Å; R935-W1003 HydrophobicContact CB-CH2 4.24Å; R935-W1003 HydrophobicContact CB-CZ3 3.63Å
936	K	92.5	Very high	88.6	Confident	39 Å²	39	33.7 Å²	33.7	17%	0.17	20%	0.197	C	C	.	.	H	α-helix	trans	-66.8	-37.7	173.3	-73.5	-168.2	179.1	-156.4	0	112.1	Y829 V932 A933 I934 T939 A940 W1003 E1006	Y829-K936 HydrophobicContact CD1-CB 4.11Å; Y829-K936 HydrophobicContact CD1-CD 4.45Å; Y829-K936 HydrophobicContact CD2-CB 4.31Å; Y829-K936 HydrophobicContact CE1-CB 3.76Å; Y829-K936 HydrophobicContact CE1-CD 3.84Å; Y829-K936 HydrophobicContact CE1-CG 4.45Å; Y829-K936 HydrophobicContact CE2-CB 3.95Å; Y829-K936 HydrophobicContact CG-CB 4.38Å; V932-K936 HydrophobicContact CG1-CD 4.33Å; V932-K936 HydrophobicContact CG1-CG 4.32Å; V932-K936 WeakPolarHBondContact O-CG 3.37Å; V932-K936 PolarHBondContact O-N 3.05Å; A933-K936 PolarHBondContact O-N 2.75Å; I934-K936 PolarHBondContact O-N 3.23Å; K936-T939 WeakPolarHBondContact O-CB 3.11Å; K936-T939 PolarHBondContact O-N 3.17Å; K936-A940 PolarHBondContact O-N 3.4Å; K936-W1003 HydrophobicContact CD-CG 4.48Å; K936-W1003 VanDerWaalsContact CE-CD1 3.48Å; K936-W1003 HydrophobicContact CG-CD2 3.84Å; K936-W1003 HydrophobicContact CG-CE3 4.04Å; K936-W1003 HydrophobicContact CG-CG 4.1Å; K936-E1006 IonicContact NZ-OE1 3.36Å; K936-E1006 IonicContact NZ-OE2 3.07Å; K936-E1006 PolarHBondContact NZ-OE2 2.91Å
937	A	93.3	Very high	89	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65	-43.9	174.2	0	0	0	0	0	111.9	Y829 I835 A933 I934 T939 A940 G941	Y829-A937 HydrophobicContact CD2-CB 3.86Å; I835-A937 HydrophobicContact CD1-CB 3.76Å; I835-A937 HydrophobicContact CG1-CB 3.89Å; A933-A937 PolarHBondContact O-N 2.84Å; I934-A937 PolarHBondContact O-N 3.45Å; A937-T939 VanDerWaalsContact C-N 3.31Å; A937-T939 PolarHBondContact O-N 2.91Å; A937-A940 WeakPolarHBondContact O-CB 3.23Å; A937-A940 PolarHBondContact O-N 2.83Å; A937-A940 VanDerWaalsContact O-N 3.15Å; A937-G941 PolarHBondContact O-N 2.89Å
938	I	93.9	Very high	89.6	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.2	-43.7	172.7	-64.7	165.2	0	0	0	110.4	M822 I835 I838 H873 I934 R935 A940 G941 Y942 I981 V997	M822-I938 HydrophobicContact CG-CG1 4.47Å; M822-I938 HydrophobicContact SD-CB 4.3Å; M822-I938 HydrophobicContact SD-CG1 3.74Å; I835-I938 HydrophobicContact CD1-CD1 4.46Å; I835-I938 HydrophobicContact CD1-CG1 3.85Å; I838-I938 HydrophobicContact CD1-CD1 4.48Å; H873-I938 HydrophobicContact CB-CD1 3.87Å; I934-I938 HydrophobicContact CG2-CD1 3.97Å; I934-I938 WeakPolarHBondContact O-CG1 3.41Å; I934-I938 PolarHBondContact O-N 2.99Å; R935-I938 PolarHBondContact O-N 2.64Å; I938-A940 PolarHBondContact O-N 3Å; I938-G941 PolarHBondContact O-N 2.9Å; I938-G941 VanDerWaalsContact O-N 3.12Å; I938-Y942 HydrophobicContact CG2-CD2 4.13Å; I938-Y942 PolarHBondContact O-N 3.24Å; I938-I981 HydrophobicContact CG2-CG2 4.36Å; I938-V997 HydrophobicContact CD1-CG2 4.17Å
939	T	93.6	Very high	90.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.9	-36.4	176.2	-56.5	0	0	0	0	112	R935 K936 A937 G941 F943 I981 I999 W1003 L1004 V1007	R935-T939 WeakPolarHBondContact O-CB 3.28Å; R935-T939 PolarHBondContact O-N 3.47Å; R935-T939 PolarHBondContact O-OG1 3.02Å; K936-T939 WeakPolarHBondContact O-CB 3.11Å; K936-T939 PolarHBondContact O-N 3.17Å; A937-T939 VanDerWaalsContact C-N 3.31Å; A937-T939 PolarHBondContact O-N 2.91Å; T939-G941 VanDerWaalsContact C-N 3.33Å; T939-G941 PolarHBondContact O-N 3.37Å; T939-F943 WeakPolarHBondContact O-CA 3.34Å; T939-F943 VanDerWaalsContact O-CB 3.26Å; T939-F943 WeakPolarHBondContact O-CB 3.48Å; T939-F943 PolarHBondContact O-N 2.87Å; T939-I981 VanDerWaalsContact CA-CD1 3.48Å; T939-I981 HydrophobicContact CG2-CD1 3.95Å; T939-I981 WeakPolarHBondContact OG1-CD1 3.38Å; T939-I999 WeakPolarHBondContact OG1-CG2 3.38Å; T939-W1003 HydrophobicContact CG2-CB 4.5Å; T939-L1004 HydrophobicContact CG2-CD2 3.78Å; T939-V1007 HydrophobicContact CG2-CB 4.42Å; T939-V1007 HydrophobicContact CG2-CG1 4.45Å; T939-V1007 HydrophobicContact CG2-CG2 4.37Å
940	A	92.8	Very high	90.9	Very high	8 Å²	8	24.5 Å²	24.5	7%	0.066	12%	0.122	C	C	.	.	H	α-helix	trans	-67.3	-28.5	177.8	0	0	0	0	0	115	K821 A825 K936 A937 I938 F943 V1007	K821-A940 VanDerWaalsContact CG-O 3.28Å; K821-A940 WeakPolarHBondContact CG-O 3.38Å; A825-A940 HydrophobicContact CB-CB 3.44Å; A825-A940 VanDerWaalsContact CB-CB 3.44Å; K936-A940 PolarHBondContact O-N 3.4Å; A937-A940 WeakPolarHBondContact O-CB 3.23Å; A937-A940 PolarHBondContact O-N 2.83Å; A937-A940 VanDerWaalsContact O-N 3.15Å; I938-A940 PolarHBondContact O-N 3Å; A940-F943 WeakPolarHBondContact O-CD1 3.41Å; A940-V1007 HydrophobicContact CB-CG1 3.65Å
941	G	92	Very high	90.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-86.8	-43.4	173	0	0	0	0	0	113.3	M818 A937 I938 T939	M818-G941 WeakPolarHBondContact CB-O 3.42Å; M818-G941 VanDerWaalsContact O-CA 3.23Å; M818-G941 WeakPolarHBondContact O-CA 2.82Å; A937-G941 PolarHBondContact O-N 2.89Å; I938-G941 PolarHBondContact O-N 2.9Å; I938-G941 VanDerWaalsContact O-N 3.12Å; T939-G941 VanDerWaalsContact C-N 3.33Å; T939-G941 PolarHBondContact O-N 3.37Å
942	Y	93.4	Very high	90.4	Very high	4 Å²	4	31.7 Å²	31.7	2%	0.016	16%	0.156	C	C	.	.	H	α-helix	trans	-107	21.5	-167.9	-69.9	-85.6	0	0	0	113.9	M818 M822 I938 Y944 H945 I981 H983	M818-Y942 HydrophobicContact CB-CD1 4.22Å; M818-Y942 HydrophobicContact CB-CE1 3.99Å; M818-Y942 HydrophobicContact SD-CD1 4.33Å; M822-Y942 HydrophobicContact SD-CD2 4.26Å; M822-Y942 HydrophobicContact SD-CE2 3.9Å; I938-Y942 HydrophobicContact CG2-CD2 4.13Å; I938-Y942 PolarHBondContact O-N 3.24Å; Y942-Y944 PolarHBondContact O-N 3.17Å; Y942-H945 AromaticContact CD1-ND1 3.85Å; Y942-H945 PolarHBondContact O-N 3.28Å; Y942-I981 VanDerWaalsContact CB-CG2 3.41Å; Y942-I981 HydrophobicContact CG-CG2 4.34Å; Y942-H983 AromaticContact CE1-ND1 3.56Å; Y942-H983 AromaticContact CZ-CE1 3.83Å; Y942-H983 AromaticContact CZ-ND1 3.38Å; Y942-H983 PolarHBondContact OH-CE1 3.24Å; Y942-H983 PolarHBondContact OH-ND1 2.61Å
943	F	91.7	Very high	89.9	Confident	5 Å²	5	30.8 Å²	30.8	2%	0.022	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.8	176	68.4	-94.2	0	0	0	112.7	A793 L794 T939 A940 H945 T946 L1004 A1008 Y1011 Y1012	A793-F943 HydrophobicContact CB-CE2 4.26Å; A793-F943 HydrophobicContact CB-CZ 4.11Å; A793-F943 VanDerWaalsContact O-CZ 3.31Å; A793-F943 WeakPolarHBondContact O-CZ 3.43Å; L794-F943 HydrophobicContact CD2-CE1 3.82Å; L794-F943 HydrophobicContact CD2-CZ 4.19Å; T939-F943 WeakPolarHBondContact O-CA 3.34Å; T939-F943 VanDerWaalsContact O-CB 3.26Å; T939-F943 WeakPolarHBondContact O-CB 3.48Å; T939-F943 PolarHBondContact O-N 2.87Å; A940-F943 WeakPolarHBondContact O-CD1 3.41Å; F943-H945 VanDerWaalsContact C-N 3.34Å; F943-T946 VanDerWaalsContact O-CG2 3.26Å; F943-T946 WeakPolarHBondContact O-CG2 3.46Å; F943-L1004 HydrophobicContact CB-CD2 4.35Å; F943-A1008 HydrophobicContact CB-CB 4.2Å; F943-A1008 HydrophobicContact CD1-CB 4.17Å; F943-A1008 HydrophobicContact CD2-CB 3.76Å; F943-A1008 HydrophobicContact CE2-CB 4.2Å; F943-A1008 HydrophobicContact CG-CB 3.77Å; F943-Y1011 AromaticContact CD2-CD1 3.92Å; F943-Y1011 HydrophobicContact CD2-CD1 3.92Å; F943-Y1011 HydrophobicContact CD2-CE1 4.48Å; F943-Y1011 HydrophobicContact CD2-CG 4.09Å; F943-Y1011 HydrophobicContact CE2-CD1 4.08Å; F943-Y1011 HydrophobicContact CE2-CD2 4.21Å; F943-Y1011 AromaticContact CE2-CG 3.82Å; F943-Y1011 HydrophobicContact CE2-CG 3.82Å; F943-Y1012 HydrophobicContact CB-CE2 4.18Å; F943-Y1012 HydrophobicContact CD2-CE2 4.23Å; F943-Y1012 WeakPolarHBondContact O-CE2 3.49Å; F943-Y1012 PolarHBondContact O-OH 2.97Å
944	Y	87.3	Confident	89.7	Confident	60 Å²	60	34.8 Å²	34.8	24%	0.235	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-30.1	174.4	-152.9	-89.6	0	0	0	112.1	Y942 T946 Y1011	Y942-Y944 PolarHBondContact O-N 3.17Å; Y944-T946 PolarHBondContact O-N 3.21Å; Y944-Y1011 HydrophobicContact CD2-CE1 4.36Å; Y944-Y1011 AromaticContact CD2-CE2 3.78Å; Y944-Y1011 HydrophobicContact CD2-CE2 3.78Å; Y944-Y1011 AromaticContact CD2-CZ 3.57Å; Y944-Y1011 VanDerWaalsContact CD2-OH 3.28Å; Y944-Y1011 WeakPolarHBondContact CD2-OH 3.36Å; Y944-Y1011 AromaticContact CE2-CE2 3.59Å; Y944-Y1011 HydrophobicContact CE2-CE2 3.59Å; Y944-Y1011 AromaticContact CE2-CZ 3.57Å; Y944-Y1011 WeakPolarHBondContact CE2-OH 3.39Å
945	H	90.5	Very high	89.7	Confident	25 Å²	25	34.8 Å²	34.8	12%	0.116	17%	0.174	C	C	.	.	S	Bend	trans	-98.9	59.7	-176	-67.7	-176	0	0	0	111.6	M818 Y942 F943 I981 Y982 H983	M818-H945 VanDerWaalsContact CE-CE1 3.48Å; M818-H945 WeakPolarHBondContact CE-CE1 3.4Å; Y942-H945 AromaticContact CD1-ND1 3.85Å; Y942-H945 PolarHBondContact O-N 3.28Å; F943-H945 VanDerWaalsContact C-N 3.34Å; H945-I981 WeakPolarHBondContact O-CA 3.27Å; H945-Y982 HydrophobicContact CB-CD1 4.29Å; H945-Y982 HydrophobicContact CB-CD2 3.77Å; H945-Y982 HydrophobicContact CB-CE1 4.08Å; H945-Y982 HydrophobicContact CB-CE2 3.53Å; H945-Y982 HydrophobicContact CB-CG 4.14Å; H945-Y982 WeakPolarHBondContact CB-O 3.33Å; H945-Y982 AromaticContact CG-CE2 3.61Å; H945-Y982 AromaticContact ND1-CE2 3.95Å; H945-Y982 PolarHBondContact ND1-O 2.72Å; H945-Y982 VanDerWaalsContact O-CD1 3.28Å; H945-Y982 WeakPolarHBondContact O-CD1 3.48Å; H945-Y982 WeakPolarHBondContact O-CE1 3.24Å; H945-Y982 PolarHBondContact O-N 3.33Å; H945-H983 PolarHBondContact CE1-O 3.12Å; H945-H983 PolarHBondContact ND1-O 3.19Å
946	T	91.8	Very high	89.5	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.012	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	137.2	178.7	62.4	0	0	0	0	111.1	F943 Y944 V958 V980 I981 I999 L1004 Y1012	F943-T946 VanDerWaalsContact O-CG2 3.26Å; F943-T946 WeakPolarHBondContact O-CG2 3.46Å; Y944-T946 PolarHBondContact O-N 3.21Å; T946-V958 PolarHBondContact O-N 3.13Å; T946-V958 WeakPolarHBondContact OG1-CG2 3.48Å; T946-V980 WeakPolarHBondContact CA-O 3.2Å; T946-I981 HydrophobicContact CG2-CG1 4.05Å; T946-I999 HydrophobicContact CG2-CD1 4.34Å; T946-L1004 HydrophobicContact CG2-CD1 4.12Å; T946-L1004 HydrophobicContact CG2-CD2 3.62Å; T946-Y1012 PolarHBondContact OG1-OH 2.92Å
947	A	92	Very high	89.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144.9	169.6	0	0	0	0	0	110.3	Y955 E956 V964 V980 Y982 M993	A947-Y955 HydrophobicContact CB-CD1 4.36Å; A947-E956 WeakPolarHBondContact CA-O 3.39Å; A947-V964 HydrophobicContact CB-CG2 4.04Å; A947-V980 HydrophobicContact CB-CG2 3.87Å; A947-V980 PolarHBondContact N-O 3.49Å; A947-V980 WeakPolarHBondContact O-CG2 3.21Å; A947-V980 PolarHBondContact O-N 3.34Å; A947-Y982 HydrophobicContact CB-CD1 4.23Å; A947-Y982 HydrophobicContact CB-CE1 4.22Å; A947-M993 HydrophobicContact CB-CE 4.24Å; A947-M993 HydrophobicContact CB-SD 3.46Å; A947-M993 WeakPolarHBondContact CB-SD 3.35Å
948	R	91.2	Very high	88.9	Confident	71 Å²	71	33.7 Å²	33.7	27%	0.268	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	147.1	176.4	68.6	176.1	-169.5	162	3.3	109.7	S950 Y955 E956 R978 W979	R948-S950 PolarHBondContact O-N 3.07Å; R948-Y955 CarbonylContact O-C 3.57Å; R948-Y955 WeakPolarHBondContact O-CA 3.3Å; R948-E956 PolarHBondContact N-O 3.28Å; R948-E956 IonicContact NE-OE2 2.76Å; R948-E956 IonicContact NH2-OE2 3.35Å; R948-E956 PolarHBondContact NH2-OE2 3.13Å; R948-E956 PolarHBondContact O-N 2.97Å; R948-R978 CarbonylContact C-O 3.55Å; R948-R978 WeakPolarHBondContact CA-O 3.42Å; R948-W979 HydrophobicContact CB-CD2 4.13Å; R948-W979 HydrophobicContact CB-CE3 4.03Å; R948-W979 HydrophobicContact CB-CH2 4.17Å; R948-W979 HydrophobicContact CB-CZ2 4.26Å; R948-W979 HydrophobicContact CB-CZ3 4.06Å
949	M	89.8	Confident	88.1	Confident	60 Å²	60	37.1 Å²	37.1	30%	0.296	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	120.8	171.7	-170.6	170	60.4	0	0	110	Y955 R978	M949-Y955 HydrophobicContact CB-CD1 4.25Å; M949-Y955 HydrophobicContact CB-CE1 3.96Å; M949-R978 HydrophobicContact CB-CG 4.47Å; M949-R978 PolarHBondContact N-O 3.45Å
950	S	84.8	Confident	87.4	Confident	26 Å²	26	40.8 Å²	40.8	18%	0.182	21%	0.207	C	C	.	.			trans	-71	163.8	174.1	-167.4	0	0	0	0	111.3	R948 S952 G953 H954 E956	R948-S950 PolarHBondContact O-N 3.07Å; S950-S952 PolarHBondContact O-N 3.22Å; S950-S952 PolarHBondContact OG-OG 2.77Å; S950-G953 PolarHBondContact O-N 2.93Å; S950-H954 VanDerWaalsContact CB-O 3.23Å; S950-H954 WeakPolarHBondContact CB-O 3.42Å; S950-H954 PolarHBondContact N-O 3.25Å; S950-E956 WeakPolarHBondContact CB-OE1 3.23Å; S950-E956 PolarHBondContact OG-OE1 2.88Å
951	K	80	Confident	86.9	Confident	183 Å²	183	45.7 Å²	45.7	80%	0.796	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-23.4	176	-67.2	-178.1	179.5	178.2	0	112.7	G953	K951-G953 PolarHBondContact O-N 3.39Å
952	S	79.7	Confident	86.5	Confident	79 Å²	79	47.1 Å²	47.1	55%	0.552	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-9.4	175	54.2	0	0	0	0	113.5	S950	S950-S952 PolarHBondContact O-N 3.22Å; S950-S952 PolarHBondContact OG-OG 2.77Å
953	G	81.9	Confident	86.4	Confident	32 Å²	32	50.7 Å²	50.7	33%	0.33	26%	0.258	S	S	.	.	S	Bend	trans	85.9	2.2	-177.2	0	0	0	0	0	114.7	S950 K951	S950-G953 PolarHBondContact O-N 2.93Å; K951-G953 PolarHBondContact O-N 3.39Å
954	H	86.7	Confident	86.3	Confident	90 Å²	90	50.5 Å²	50.5	42%	0.417	26%	0.257	S	S	.	.			trans	-90.3	152.1	170.2	-58.4	-54.4	0	0	0	110.7	S950 F965	S950-H954 VanDerWaalsContact CB-O 3.23Å; S950-H954 WeakPolarHBondContact CB-O 3.42Å; S950-H954 PolarHBondContact N-O 3.25Å; H954-F965 AromaticContact ND1-CE1 3.77Å
955	Y	90.9	Very high	86.5	Confident	10 Å²	10	50.6 Å²	50.6	4%	0.039	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	140.6	171.8	-73.5	-94.5	0	0	0	110.2	A947 R948 M949 T963 V964 I966 R976 P977 V980 M993	A947-Y955 HydrophobicContact CB-CD1 4.36Å; R948-Y955 CarbonylContact O-C 3.57Å; R948-Y955 WeakPolarHBondContact O-CA 3.3Å; M949-Y955 HydrophobicContact CB-CD1 4.25Å; M949-Y955 HydrophobicContact CB-CE1 3.96Å; Y955-T963 CarbonylContact O-C 3.59Å; Y955-T963 WeakPolarHBondContact O-CA 3.46Å; Y955-V964 WeakPolarHBondContact CB-O 3.29Å; Y955-V964 PolarHBondContact N-O 2.89Å; Y955-V964 PolarHBondContact O-N 3.08Å; Y955-I966 HydrophobicContact CD2-CD1 4.33Å; Y955-I966 HydrophobicContact CD2-CG1 4.12Å; Y955-I966 HydrophobicContact CE2-CD1 3.52Å; Y955-I966 HydrophobicContact CE2-CG1 3.81Å; Y955-R976 VanDerWaalsContact OH-CA 3.3Å; Y955-R976 WeakPolarHBondContact OH-CA 3.43Å; Y955-R976 PolarHBondContact OH-O 2.88Å; Y955-P977 VanDerWaalsContact CE1-O 3.27Å; Y955-P977 WeakPolarHBondContact CE1-O 3.36Å; Y955-P977 PolarHBondContact OH-O 3.44Å; Y955-V980 HydrophobicContact CD1-CG2 3.91Å; Y955-V980 HydrophobicContact CE1-CG1 4.19Å; Y955-V980 HydrophobicContact CE1-CG2 3.83Å; Y955-M993 HydrophobicContact CD1-CE 4.14Å; Y955-M993 HydrophobicContact CD2-CE 4.22Å; Y955-M993 HydrophobicContact CG-CE 3.79Å
956	E	90	Very high	86.6	Confident	35 Å²	35	50 Å²	50	16%	0.164	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135.6	175.6	-70.3	169.3	-164.1	0	0	108.9	A947 R948 S950 N962	A947-E956 WeakPolarHBondContact CA-O 3.39Å; R948-E956 PolarHBondContact N-O 3.28Å; R948-E956 IonicContact NE-OE2 2.76Å; R948-E956 IonicContact NH2-OE2 3.35Å; R948-E956 PolarHBondContact NH2-OE2 3.13Å; R948-E956 PolarHBondContact O-N 2.97Å; S950-E956 WeakPolarHBondContact CB-OE1 3.23Å; S950-E956 PolarHBondContact OG-OE1 2.88Å; E956-N962 VanDerWaalsContact CA-O 3.29Å; E956-N962 WeakPolarHBondContact CA-O 3.27Å
957	T	88.2	Confident	86.4	Confident	8 Å²	8	51.4 Å²	51.4	5%	0.049	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	144.3	169.7	59.7	0	0	0	0	110.4	K959 H961 N962 V964 Y982	T957-K959 PolarHBondContact O-N 2.91Å; T957-H961 VanDerWaalsContact O-CA 3.27Å; T957-H961 WeakPolarHBondContact O-CA 3.38Å; T957-H961 PolarHBondContact O-N 2.93Å; T957-H961 VanDerWaalsContact O-N 3.09Å; T957-H961 PolarHBondContact OG1-N 2.82Å; T957-N962 HydrophobicContact CG2-CB 4.4Å; T957-N962 PolarHBondContact N-O 2.93Å; T957-N962 PolarHBondContact OG1-N 3Å; T957-V964 HydrophobicContact CG2-CG1 3.9Å; T957-V964 HydrophobicContact CG2-CG2 4.24Å; T957-Y982 HydrophobicContact CG2-CE1 4.29Å
958	V	84	Confident	86.1	Confident	10 Å²	10	54.9 Å²	54.9	6%	0.061	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-39.5	-168.1	-179.6	0	0	0	0	112.8	T946 H961 W979 Y1012	T946-V958 PolarHBondContact O-N 3.13Å; T946-V958 WeakPolarHBondContact OG1-CG2 3.48Å; V958-H961 PolarHBondContact O-CE1 3.46Å; V958-W979 HydrophobicContact CG2-CH2 4.43Å; V958-W979 HydrophobicContact CG2-CZ3 3.72Å; V958-Y1012 HydrophobicContact CB-CE1 4.19Å; V958-Y1012 HydrophobicContact CG1-CD1 4.31Å; V958-Y1012 HydrophobicContact CG1-CE1 3.68Å
959	K	78.7	Confident	85.8	Confident	72 Å²	72	55.1 Å²	55.1	31%	0.313	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-44.6	-177.2	-68.2	-69.4	-166.2	-176.8	0	114.1	T957 Y1011 E1016	T957-K959 PolarHBondContact O-N 2.91Å; K959-Y1011 HydrophobicContact CD-CE1 4.26Å; K959-Y1011 HydrophobicContact CG-CE1 3.85Å; K959-Y1011 WeakPolarHBondContact CG-OH 3.44Å; K959-Y1011 PolarHBondContact NZ-O 3.29Å; K959-E1016 IonicContact NZ-OE1 3.78Å; K959-E1016 PolarHBondContact NZ-OE1 2.96Å; K959-E1016 IonicContact NZ-OE2 2.86Å; K959-E1016 PolarHBondContact NZ-OE2 3.4Å
960	N	78.5	Confident	85.6	Confident	76 Å²	76	52.5 Å²	52.5	41%	0.406	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-15.8	-176.2	-69.3	-10.1	0	0	0	113.1	R698 R699 N962	R698-N960 PolarHBondContact O-ND2 3.37Å; R699-N960 PolarHBondContact O-ND2 3.39Å; N960-N962 PolarHBondContact O-N 3.39Å
961	H	81.5	Confident	85.6	Confident	112 Å²	112	51.8 Å²	51.8	52%	0.519	28%	0.275	S	S	.	.			trans	54.4	32.3	-173.9	-56.5	-50.6	0	0	0	113.2	T957 V958	T957-H961 VanDerWaalsContact O-CA 3.27Å; T957-H961 WeakPolarHBondContact O-CA 3.38Å; T957-H961 PolarHBondContact O-N 2.93Å; T957-H961 VanDerWaalsContact O-N 3.09Å; T957-H961 PolarHBondContact OG1-N 2.82Å; V958-H961 PolarHBondContact O-CE1 3.46Å
962	N	84.7	Confident	85.9	Confident	30 Å²	30	43.2 Å²	43.2	16%	0.16	24%	0.238	C	C	.	.			trans	-76.6	135.1	175.2	-67.1	-19.8	0	0	0	109.5	E956 T957 N960 V964	E956-N962 VanDerWaalsContact CA-O 3.29Å; E956-N962 WeakPolarHBondContact CA-O 3.27Å; T957-N962 HydrophobicContact CG2-CB 4.4Å; T957-N962 PolarHBondContact N-O 2.93Å; T957-N962 PolarHBondContact OG1-N 3Å; N960-N962 PolarHBondContact O-N 3.39Å; N962-V964 HydrophobicContact CB-CG1 4.5Å; N962-V964 PolarHBondContact O-N 3.33Å
963	T	90.3	Very high	86.1	Confident	79 Å²	79	43.8 Å²	43.8	49%	0.485	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	113.9	177	53.8	0	0	0	0	110.4	Y955	Y955-T963 CarbonylContact O-C 3.59Å; Y955-T963 WeakPolarHBondContact O-CA 3.46Å
964	V	90.9	Very high	86.1	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	156.6	-175.6	-62.9	0	0	0	0	110.9	A947 Y955 T957 N962 L985 E991 M993	A947-V964 HydrophobicContact CB-CG2 4.04Å; Y955-V964 WeakPolarHBondContact CB-O 3.29Å; Y955-V964 PolarHBondContact N-O 2.89Å; Y955-V964 PolarHBondContact O-N 3.08Å; T957-V964 HydrophobicContact CG2-CG1 3.9Å; T957-V964 HydrophobicContact CG2-CG2 4.24Å; N962-V964 HydrophobicContact CB-CG1 4.5Å; N962-V964 PolarHBondContact O-N 3.33Å; V964-L985 HydrophobicContact CB-CD1 4.1Å; V964-L985 HydrophobicContact CG1-CD1 3.61Å; V964-L985 HydrophobicContact CG1-CD2 4.15Å; V964-E991 HydrophobicContact CG1-CB 4.19Å; V964-M993 HydrophobicContact CB-CE 4.48Å; V964-M993 HydrophobicContact CB-CG 4Å; V964-M993 HydrophobicContact CB-SD 4.18Å; V964-M993 HydrophobicContact CG2-CE 3.81Å; V964-M993 HydrophobicContact CG2-CG 3.97Å; V964-M993 HydrophobicContact CG2-SD 3.47Å; V964-M993 WeakPolarHBondContact CG2-SD 3.5Å
965	F	91.2	Very high	85.8	Confident	62 Å²	62	50.6 Å²	50.6	27%	0.272	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	146.3	-178.5	-62.8	-88	0	0	0	110.7	H954 H967 K990 E991 F992 M993	H954-F965 AromaticContact ND1-CE1 3.77Å; F965-H967 PolarHBondContact O-N 3.42Å; F965-K990 HydrophobicContact CD2-CB 4.11Å; F965-K990 HydrophobicContact CD2-CD 4.16Å; F965-K990 HydrophobicContact CE2-CB 4.43Å; F965-K990 HydrophobicContact CE2-CD 4.02Å; F965-K990 HydrophobicContact CZ-CD 4.46Å; F965-E991 PolarHBondContact N-O 3.13Å; F965-F992 HydrophobicContact CB-CD1 3.97Å; F965-F992 HydrophobicContact CB-CE1 4.11Å; F965-F992 CarbonylContact O-C 3.58Å; F965-F992 VanDerWaalsContact O-CA 3.28Å; F965-F992 WeakPolarHBondContact O-CA 3.38Å; F965-M993 PolarHBondContact O-N 3.44Å
966	I	91.6	Very high	85.5	Confident	14 Å²	14	56.8 Å²	56.8	7%	0.072	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	131.5	171.6	-62.7	-178.7	0	0	0	108.8	Y955 F973 M993 L996	Y955-I966 HydrophobicContact CD2-CD1 4.33Å; Y955-I966 HydrophobicContact CD2-CG1 4.12Å; Y955-I966 HydrophobicContact CE2-CD1 3.52Å; Y955-I966 HydrophobicContact CE2-CG1 3.81Å; I966-F973 HydrophobicContact CB-CD2 4.46Å; I966-F973 HydrophobicContact CG2-CB 4.31Å; I966-F973 HydrophobicContact CG2-CD2 4.22Å; I966-M993 HydrophobicContact CG1-CE 3.87Å; I966-L996 HydrophobicContact CD1-CD2 4.31Å; I966-L996 HydrophobicContact CG1-CD2 3.9Å; I966-L996 HydrophobicContact CG2-CD1 3.92Å; I966-L996 HydrophobicContact CG2-CD2 4.47Å
967	H	88.7	Confident	85.4	Confident	31 Å²	31	55.6 Å²	55.6	14%	0.144	28%	0.276	C	S	.	.			trans	-64.5	137	175.7	-168.5	-89.6	0	0	0	110.8	F965 N969 S970 F992 M993 R994	F965-H967 PolarHBondContact O-N 3.42Å; H967-N969 VanDerWaalsContact CE1-CG 3.43Å; H967-N969 PolarHBondContact CE1-ND2 2.93Å; H967-N969 WeakPolarHBondContact ND1-CB 3.18Å; H967-N969 PolarHBondContact ND1-N 2.68Å; H967-N969 PolarHBondContact O-N 3.38Å; H967-S970 WeakPolarHBondContact O-CB 3.45Å; H967-S970 PolarHBondContact O-N 2.84Å; H967-F992 HydrophobicContact CB-CB 4.2Å; H967-M993 WeakPolarHBondContact CB-O 3.49Å; H967-M993 PolarHBondContact N-O 2.94Å; H967-R994 HydrophobicContact CB-CG 3.85Å
968	P	85.8	Confident	85.4	Confident	72 Å²	72	59.3 Å²	59.3	47%	0.468	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-21.2	-176.9	-27	34.9	0	0	0	115.5	S970	P968-S970 VanDerWaalsContact C-N 3.33Å
969	N	83.5	Confident	85.8	Confident	76 Å²	76	59.4 Å²	59.4	41%	0.406	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-13.3	178.3	-62.8	-1.7	0	0	0	113.3	R863 H967	R863-N969 VanDerWaalsContact CZ-O 3.24Å; R863-N969 PolarHBondContact NE-O 2.84Å; R863-N969 PolarHBondContact NH2-O 3.34Å; H967-N969 VanDerWaalsContact CE1-CG 3.43Å; H967-N969 PolarHBondContact CE1-ND2 2.93Å; H967-N969 WeakPolarHBondContact ND1-CB 3.18Å; H967-N969 PolarHBondContact ND1-N 2.68Å; H967-N969 PolarHBondContact O-N 3.38Å
970	S	86.3	Confident	86.5	Confident	6 Å²	6	56 Å²	56	4%	0.042	27%	0.273	C	S	.	.	S	Bend	trans	-69.6	142.2	-178.5	-178.3	0	0	0	0	111.3	D872 H967 P968 L972 F973 L996	D872-S970 VanDerWaalsContact CG-OG 3.27Å; D872-S970 PolarHBondContact OD1-OG 2.94Å; D872-S970 VanDerWaalsContact OD2-CB 3.26Å; D872-S970 WeakPolarHBondContact OD2-CB 3.23Å; D872-S970 PolarHBondContact OD2-OG 2.97Å; H967-S970 WeakPolarHBondContact O-CB 3.45Å; H967-S970 PolarHBondContact O-N 2.84Å; P968-S970 VanDerWaalsContact C-N 3.33Å; S970-L972 PolarHBondContact O-N 3.37Å; S970-L972 PolarHBondContact OG-N 2.81Å; S970-L972 VanDerWaalsContact OG-N 3.15Å; S970-F973 WeakPolarHBondContact O-CB 3.18Å; S970-F973 PolarHBondContact O-N 3.02Å; S970-L996 WeakPolarHBondContact OG-CD1 3.21Å
971	S	84.5	Confident	87.2	Confident	11 Å²	11	52.3 Å²	52.3	8%	0.077	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-57.9	-27.9	167.8	57.9	0	0	0	0	112.4	D872 F973	D872-S971 PolarHBondContact N-OG 3.46Å; D872-S971 VanDerWaalsContact OD1-CB 3.3Å; D872-S971 WeakPolarHBondContact OD1-CB 3.4Å; D872-S971 PolarHBondContact OD1-N 3.22Å; D872-S971 PolarHBondContact OD1-OG 2.79Å; S971-F973 VanDerWaalsContact C-N 3.3Å; S971-F973 PolarHBondContact O-N 2.92Å
972	L	85.9	Confident	87.7	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.016	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-88	8.2	-178.5	-64.6	177.2	0	0	0	113.9	S970 E974 R976 P977 L996	S970-L972 PolarHBondContact O-N 3.37Å; S970-L972 PolarHBondContact OG-N 2.81Å; S970-L972 VanDerWaalsContact OG-N 3.15Å; L972-E974 VanDerWaalsContact C-N 3.26Å; L972-E974 PolarHBondContact O-N 3.4Å; L972-R976 PolarHBondContact O-N 3.04Å; L972-P977 HydrophobicContact CD1-CG 4.09Å; L972-P977 HydrophobicContact CD2-CG 4.22Å; L972-L996 HydrophobicContact CD1-CB 3.8Å
973	F	84.6	Confident	88	Confident	90 Å²	90	47.8 Å²	47.8	40%	0.395	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-62.6	-33.8	179.4	-175.6	-103.9	0	0	0	112.6	I966 S970 S971	I966-F973 HydrophobicContact CB-CD2 4.46Å; I966-F973 HydrophobicContact CG2-CB 4.31Å; I966-F973 HydrophobicContact CG2-CD2 4.22Å; S970-F973 WeakPolarHBondContact O-CB 3.18Å; S970-F973 PolarHBondContact O-N 3.02Å; S971-F973 VanDerWaalsContact C-N 3.3Å; S971-F973 PolarHBondContact O-N 2.92Å
974	E	82.1	Confident	87.8	Confident	147 Å²	147	47 Å²	47	69%	0.687	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-45.4	179.4	-63.8	-171.6	173.8	0	0	112.8	L972 R976	L972-E974 VanDerWaalsContact C-N 3.26Å; L972-E974 PolarHBondContact O-N 3.4Å; E974-R976 VanDerWaalsContact C-N 3.34Å; E974-R976 PolarHBondContact O-N 3.34Å
975	D	80	Confident	87.6	Confident	119 Å²	119	47.6 Å²	47.6	64%	0.636	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-19.2	-172.5	-72.7	-23.5	0	0	0	114.7
976	R	83.8	Confident	87.3	Confident	140 Å²	140	45.8 Å²	45.8	53%	0.528	22%	0.22	S	C	.	.			trans	36.1	63.7	177	-62.1	-172.4	-176.8	-172.7	3.5	114.8	Y955 L972 E974	Y955-R976 VanDerWaalsContact OH-CA 3.3Å; Y955-R976 WeakPolarHBondContact OH-CA 3.43Å; Y955-R976 PolarHBondContact OH-O 2.88Å; L972-R976 PolarHBondContact O-N 3.04Å; E974-R976 VanDerWaalsContact C-N 3.34Å; E974-R976 PolarHBondContact O-N 3.34Å
977	P	88.1	Confident	86.9	Confident	10 Å²	10	49.8 Å²	49.8	7%	0.065	23%	0.234	C	C	.	.			trans	-62.3	149.7	177.7	23.6	-32.6	0	0	0	112.2	Y955 L972 W979 V980 E998	Y955-P977 VanDerWaalsContact CE1-O 3.27Å; Y955-P977 WeakPolarHBondContact CE1-O 3.36Å; Y955-P977 PolarHBondContact OH-O 3.44Å; L972-P977 HydrophobicContact CD1-CG 4.09Å; L972-P977 HydrophobicContact CD2-CG 4.22Å; P977-W979 PolarHBondContact O-N 2.8Å; P977-V980 HydrophobicContact CB-CG1 4.26Å; P977-V980 HydrophobicContact CG-CG1 3.52Å; P977-E998 HydrophobicContact CB-CB 4.02Å; P977-E998 HydrophobicContact CB-CG 3.67Å; P977-E998 HydrophobicContact CG-CB 4.17Å; P977-E998 HydrophobicContact CG-CG 4.37Å
978	R	88.2	Confident	86.4	Confident	86 Å²	86	52.1 Å²	52.1	33%	0.325	25%	0.251	S	S	.	.	S	Bend	trans	-70.6	-34.2	-170.8	-163.7	174.9	-175.6	-141.1	-11.4	113.6	R948 M949 D1019 A1021	R948-R978 CarbonylContact C-O 3.55Å; R948-R978 WeakPolarHBondContact CA-O 3.42Å; M949-R978 HydrophobicContact CB-CG 4.47Å; M949-R978 PolarHBondContact N-O 3.45Å; R978-D1019 IonicContact CZ-OD1 3.49Å; R978-D1019 IonicContact CZ-OD2 2.91Å; R978-D1019 IonicContact NE-OD2 3.54Å; R978-D1019 VanDerWaalsContact NH1-CG 3.31Å; R978-D1019 IonicContact NH1-OD1 3.95Å; R978-D1019 IonicContact NH1-OD2 2.74Å; R978-D1019 PolarHBondContact NH1-OD2 3.08Å; R978-D1019 IonicContact NH2-OD1 2.85Å; R978-D1019 PolarHBondContact NH2-OD1 3.07Å; R978-D1019 IonicContact NH2-OD2 3.11Å; R978-D1019 PolarHBondContact NH2-OD2 3.24Å; R978-D1019 VanDerWaalsContact NH2-OD2 3.11Å; R978-A1021 VanDerWaalsContact NH2-CB 3.29Å
979	W	92	Very high	86.2	Confident	11 Å²	11	54 Å²	54	4%	0.042	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.9	177.3	-72.3	86.6	0	0	0	108.8	R948 V958 P977 I999 N1001 L1004 D1019	R948-W979 HydrophobicContact CB-CD2 4.13Å; R948-W979 HydrophobicContact CB-CE3 4.03Å; R948-W979 HydrophobicContact CB-CH2 4.17Å; R948-W979 HydrophobicContact CB-CZ2 4.26Å; R948-W979 HydrophobicContact CB-CZ3 4.06Å; V958-W979 HydrophobicContact CG2-CH2 4.43Å; V958-W979 HydrophobicContact CG2-CZ3 3.72Å; P977-W979 PolarHBondContact O-N 2.8Å; W979-I999 HydrophobicContact CB-CD1 4.45Å; W979-I999 HydrophobicContact CB-CG1 3.94Å; W979-I999 WeakPolarHBondContact CB-O 3.46Å; W979-I999 PolarHBondContact O-N 3.29Å; W979-N1001 HydrophobicContact CD2-CB 4.12Å; W979-N1001 HydrophobicContact CG-CB 4.34Å; W979-N1001 HydrophobicContact CZ2-CB 4.22Å; W979-L1004 HydrophobicContact CE3-CD1 4Å; W979-L1004 HydrophobicContact CZ3-CD1 3.89Å; W979-D1019 PolarHBondContact NE1-OD2 3.47Å
980	V	93.6	Very high	86.3	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	147	-178.3	-65.2	0	0	0	0	111	T946 A947 Y955 P977 M993 L996 V997	T946-V980 WeakPolarHBondContact CA-O 3.2Å; A947-V980 HydrophobicContact CB-CG2 3.87Å; A947-V980 PolarHBondContact N-O 3.49Å; A947-V980 WeakPolarHBondContact O-CG2 3.21Å; A947-V980 PolarHBondContact O-N 3.34Å; Y955-V980 HydrophobicContact CD1-CG2 3.91Å; Y955-V980 HydrophobicContact CE1-CG1 4.19Å; Y955-V980 HydrophobicContact CE1-CG2 3.83Å; P977-V980 HydrophobicContact CB-CG1 4.26Å; P977-V980 HydrophobicContact CG-CG1 3.52Å; V980-M993 HydrophobicContact CG2-CE 4.18Å; V980-M993 HydrophobicContact CG2-SD 4.27Å; V980-L996 HydrophobicContact CB-CD2 4.1Å; V980-L996 HydrophobicContact CG1-CD2 4.38Å; V980-L996 HydrophobicContact CG2-CD2 3.96Å; V980-V997 WeakPolarHBondContact CA-O 3.49Å
981	I	94.1	Very high	86.3	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	137.9	161.7	-68.1	-175.4	0	0	0	108	I938 T939 Y942 H945 T946 L996 V997 I999	I938-I981 HydrophobicContact CG2-CG2 4.36Å; T939-I981 VanDerWaalsContact CA-CD1 3.48Å; T939-I981 HydrophobicContact CG2-CD1 3.95Å; T939-I981 WeakPolarHBondContact OG1-CD1 3.38Å; Y942-I981 VanDerWaalsContact CB-CG2 3.41Å; Y942-I981 HydrophobicContact CG-CG2 4.34Å; H945-I981 WeakPolarHBondContact O-CA 3.27Å; T946-I981 HydrophobicContact CG2-CG1 4.05Å; I981-L996 CarbonylContact O-C 3.6Å; I981-L996 VanDerWaalsContact O-CA 3.27Å; I981-L996 WeakPolarHBondContact O-CA 3.33Å; I981-V997 PolarHBondContact N-O 3.36Å; I981-V997 PolarHBondContact O-N 3.19Å; I981-I999 HydrophobicContact CB-CG2 4.42Å; I981-I999 HydrophobicContact CD1-CD1 4.03Å; I981-I999 HydrophobicContact CD1-CG2 3.64Å; I981-I999 HydrophobicContact CG1-CD1 3.7Å; I981-I999 HydrophobicContact CG1-CG1 4.05Å; I981-I999 HydrophobicContact CG1-CG2 3.75Å
982	Y	92.5	Very high	86.6	Confident	19 Å²	19	57.6 Å²	57.6	8%	0.075	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	146.2	173.8	59	-92.8	0	0	0	110.5	H945 A947 T957 L985 M993	H945-Y982 HydrophobicContact CB-CD1 4.29Å; H945-Y982 HydrophobicContact CB-CD2 3.77Å; H945-Y982 HydrophobicContact CB-CE1 4.08Å; H945-Y982 HydrophobicContact CB-CE2 3.53Å; H945-Y982 HydrophobicContact CB-CG 4.14Å; H945-Y982 WeakPolarHBondContact CB-O 3.33Å; H945-Y982 AromaticContact CG-CE2 3.61Å; H945-Y982 AromaticContact ND1-CE2 3.95Å; H945-Y982 PolarHBondContact ND1-O 2.72Å; H945-Y982 VanDerWaalsContact O-CD1 3.28Å; H945-Y982 WeakPolarHBondContact O-CD1 3.48Å; H945-Y982 WeakPolarHBondContact O-CE1 3.24Å; H945-Y982 PolarHBondContact O-N 3.33Å; A947-Y982 HydrophobicContact CB-CD1 4.23Å; A947-Y982 HydrophobicContact CB-CE1 4.22Å; T957-Y982 HydrophobicContact CG2-CE1 4.29Å; Y982-L985 HydrophobicContact CD2-CB 4.42Å; Y982-L985 HydrophobicContact CE2-CB 4.04Å; Y982-M993 HydrophobicContact CD1-CG 3.96Å; Y982-M993 HydrophobicContact CD1-SD 3.56Å; Y982-M993 VanDerWaalsContact CD1-SD 3.56Å; Y982-M993 HydrophobicContact CE1-SD 4.24Å; Y982-M993 HydrophobicContact CG-CB 4.27Å; Y982-M993 HydrophobicContact CG-CG 3.95Å; Y982-M993 HydrophobicContact CG-SD 4.09Å
983	H	90.1	Very high	86.8	Confident	27 Å²	27	57.4 Å²	57.4	13%	0.125	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-52	176	-178.8	74.3	0	0	0	111.3	N845 Y942 H945 R994 E995	N845-H983 PolarHBondContact ND2-CD2 3.41Å; N845-H983 VanDerWaalsContact ND2-CD2 3.28Å; Y942-H983 AromaticContact CE1-ND1 3.56Å; Y942-H983 AromaticContact CZ-CE1 3.83Å; Y942-H983 AromaticContact CZ-ND1 3.38Å; Y942-H983 PolarHBondContact OH-CE1 3.24Å; Y942-H983 PolarHBondContact OH-ND1 2.61Å; H945-H983 PolarHBondContact CE1-O 3.12Å; H945-H983 PolarHBondContact ND1-O 3.19Å; H983-R994 PolarHBondContact N-O 2.94Å; H983-R994 VanDerWaalsContact N-O 3.12Å; H983-E995 HydrophobicContact CB-CB 3.77Å; H983-E995 PolarHBondContact N-O 3.21Å; H983-E995 VanDerWaalsContact N-O 3.15Å
984	E	86.5	Confident	87	Confident	63 Å²	63	56.4 Å²	56.4	29%	0.294	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	147.8	-178	65.5	177.6	-157.5	0	0	111	V986 R994	E984-V986 HydrophobicContact CG-CG2 3.96Å; E984-V986 WeakPolarHBondContact OE1-CG2 3.42Å; E984-R994 HydrophobicContact CG-CB 3.75Å; E984-R994 PolarHBondContact O-N 3.12Å; E984-R994 WeakPolarHBondContact OE1-CD 3.43Å; E984-R994 IonicContact OE1-CZ 2.93Å; E984-R994 IonicContact OE1-NE 3.26Å; E984-R994 IonicContact OE1-NH1 3.3Å; E984-R994 PolarHBondContact OE1-NH1 3.15Å; E984-R994 VanDerWaalsContact OE1-NH1 3.1Å
985	L	87.4	Confident	87.3	Confident	12 Å²	12	50.8 Å²	50.8	6%	0.063	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119	169.8	-171	71	0	0	0	108.1	M701 V964 Y982 E991 M993	M701-L985 HydrophobicContact CB-CD2 4.08Å; M701-L985 HydrophobicContact CG-CB 4.3Å; M701-L985 HydrophobicContact CG-CD2 3.87Å; M701-L985 HydrophobicContact CG-CG 4.01Å; M701-L985 HydrophobicContact SD-CD2 3.66Å; M701-L985 HydrophobicContact SD-CG 3.86Å; V964-L985 HydrophobicContact CB-CD1 4.1Å; V964-L985 HydrophobicContact CG1-CD1 3.61Å; V964-L985 HydrophobicContact CG1-CD2 4.15Å; Y982-L985 HydrophobicContact CD2-CB 4.42Å; Y982-L985 HydrophobicContact CE2-CB 4.04Å; L985-E991 HydrophobicContact CD1-CB 4.39Å; L985-M993 HydrophobicContact CD1-CG 3.86Å
986	V	83.8	Confident	88	Confident	25 Å²	25	45.1 Å²	45.1	15%	0.152	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124	-176.8	-179.9	0	0	0	0	109.7	E984 T988 F992	E984-V986 HydrophobicContact CG-CG2 3.96Å; E984-V986 WeakPolarHBondContact OE1-CG2 3.42Å; V986-T988 HydrophobicContact CG1-CG2 4.19Å; V986-F992 PolarHBondContact N-O 3.15Å; V986-F992 PolarHBondContact O-N 3.44Å
987	Y	83.4	Confident	88.4	Confident	97 Å²	97	38.4 Å²	38.4	38%	0.38	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	125.1	170.2	-173.6	-96.8	0	0	0	110.8	M701 E991	M701-Y987 HydrophobicContact CE-CD2 4.11Å; M701-Y987 HydrophobicContact CE-CG 4.15Å; Y987-E991 HydrophobicContact CD2-CG 3.78Å; Y987-E991 HydrophobicContact CE2-CG 4.38Å
988	T	77.3	Confident	88.7	Confident	81 Å²	81	41.7 Å²	41.7	50%	0.497	20%	0.197	S	C	.	.	S	Bend	trans	-121.8	-84.6	169.5	51.3	0	0	0	0	109.3	V986 K990 F992	V986-T988 HydrophobicContact CG1-CG2 4.19Å; T988-K990 PolarHBondContact N-O 2.86Å; T988-F992 WeakPolarHBondContact OG1-CD2 3.42Å
989	T	82	Confident	88.9	Confident	112 Å²	112	38 Å²	38	69%	0.687	18%	0.183	S	C	*	.	S	Bend	trans	-99.4	-30.4	167.1	53.6	0	0	0	0	111.6
990	K	85	Confident	88.9	Confident	114 Å²	114	42.6 Å²	42.6	50%	0.496	21%	0.205	S	C	.	.	S	Bend	trans	-136.1	168.4	174.3	-61.7	-176.4	-178.6	-179.4	0	108.9	F965 T988 F992	F965-K990 HydrophobicContact CD2-CB 4.11Å; F965-K990 HydrophobicContact CD2-CD 4.16Å; F965-K990 HydrophobicContact CE2-CB 4.43Å; F965-K990 HydrophobicContact CE2-CD 4.02Å; F965-K990 HydrophobicContact CZ-CD 4.46Å; T988-K990 PolarHBondContact N-O 2.86Å; K990-F992 HydrophobicContact CB-CD2 4.41Å; K990-F992 HydrophobicContact CB-CE2 3.92Å; K990-F992 HydrophobicContact CB-CZ 4.15Å; K990-F992 VanDerWaalsContact O-CD2 3.23Å; K990-F992 WeakPolarHBondContact O-CD2 3.5Å; K990-F992 PolarHBondContact O-N 3.19Å
991	E	88.1	Confident	88.6	Confident	21 Å²	21	44.8 Å²	44.8	10%	0.098	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	106.8	174.2	-62	-178.7	-178.7	0	0	109.2	R699 M701 V964 F965 L985 Y987	R699-E991 IonicContact NH1-OE1 2.85Å; R699-E991 PolarHBondContact NH1-OE1 3.36Å; M701-E991 HydrophobicContact CE-CG 4.19Å; M701-E991 HydrophobicContact SD-CB 4.4Å; M701-E991 HydrophobicContact SD-CG 3.81Å; V964-E991 HydrophobicContact CG1-CB 4.19Å; F965-E991 PolarHBondContact N-O 3.13Å; L985-E991 HydrophobicContact CD1-CB 4.39Å; Y987-E991 HydrophobicContact CD2-CG 3.78Å; Y987-E991 HydrophobicContact CE2-CG 4.38Å
992	F	89.2	Confident	88.4	Confident	32 Å²	32	47.8 Å²	47.8	14%	0.14	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.2	-179.8	-70.1	-77.1	0	0	0	111.6	F965 H967 V986 T988 K990	F965-F992 HydrophobicContact CB-CD1 3.97Å; F965-F992 HydrophobicContact CB-CE1 4.11Å; F965-F992 CarbonylContact O-C 3.58Å; F965-F992 VanDerWaalsContact O-CA 3.28Å; F965-F992 WeakPolarHBondContact O-CA 3.38Å; H967-F992 HydrophobicContact CB-CB 4.2Å; V986-F992 PolarHBondContact N-O 3.15Å; V986-F992 PolarHBondContact O-N 3.44Å; T988-F992 WeakPolarHBondContact OG1-CD2 3.42Å; K990-F992 HydrophobicContact CB-CD2 4.41Å; K990-F992 HydrophobicContact CB-CE2 3.92Å; K990-F992 HydrophobicContact CB-CZ 4.15Å; K990-F992 VanDerWaalsContact O-CD2 3.23Å; K990-F992 WeakPolarHBondContact O-CD2 3.5Å; K990-F992 PolarHBondContact O-N 3.19Å
993	M	91	Very high	88.3	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	132.7	168.3	-64.4	-178.9	-64.3	0	0	109.7	A947 Y955 V964 F965 I966 H967 V980 Y982 L985 L996	A947-M993 HydrophobicContact CB-CE 4.24Å; A947-M993 HydrophobicContact CB-SD 3.46Å; A947-M993 WeakPolarHBondContact CB-SD 3.35Å; Y955-M993 HydrophobicContact CD1-CE 4.14Å; Y955-M993 HydrophobicContact CD2-CE 4.22Å; Y955-M993 HydrophobicContact CG-CE 3.79Å; V964-M993 HydrophobicContact CB-CE 4.48Å; V964-M993 HydrophobicContact CB-CG 4Å; V964-M993 HydrophobicContact CB-SD 4.18Å; V964-M993 HydrophobicContact CG2-CE 3.81Å; V964-M993 HydrophobicContact CG2-CG 3.97Å; V964-M993 HydrophobicContact CG2-SD 3.47Å; V964-M993 WeakPolarHBondContact CG2-SD 3.5Å; F965-M993 PolarHBondContact O-N 3.44Å; I966-M993 HydrophobicContact CG1-CE 3.87Å; H967-M993 WeakPolarHBondContact CB-O 3.49Å; H967-M993 PolarHBondContact N-O 2.94Å; V980-M993 HydrophobicContact CG2-CE 4.18Å; V980-M993 HydrophobicContact CG2-SD 4.27Å; Y982-M993 HydrophobicContact CD1-CG 3.96Å; Y982-M993 HydrophobicContact CD1-SD 3.56Å; Y982-M993 VanDerWaalsContact CD1-SD 3.56Å; Y982-M993 HydrophobicContact CE1-SD 4.24Å; Y982-M993 HydrophobicContact CG-CB 4.27Å; Y982-M993 HydrophobicContact CG-CG 3.95Å; Y982-M993 HydrophobicContact CG-SD 4.09Å; L985-M993 HydrophobicContact CD1-CG 3.86Å; M993-L996 HydrophobicContact CB-CD1 4.34Å; M993-L996 HydrophobicContact CB-CD2 3.94Å; M993-L996 HydrophobicContact CB-CG 4.27Å; M993-L996 HydrophobicContact CE-CD2 3.88Å; M993-L996 WeakPolarHBondContact O-CD1 3.5Å; M993-L996 HydrophobicContact SD-CD2 4.28Å
994	R	88.5	Confident	88.3	Confident	69 Å²	69	45.9 Å²	45.9	26%	0.26	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	153.4	175.9	-69.1	173.5	169.7	-177.8	1.4	111.4	H967 H983 E984	H967-R994 HydrophobicContact CB-CG 3.85Å; H983-R994 PolarHBondContact N-O 2.94Å; H983-R994 VanDerWaalsContact N-O 3.12Å; E984-R994 HydrophobicContact CG-CB 3.75Å; E984-R994 PolarHBondContact O-N 3.12Å; E984-R994 WeakPolarHBondContact OE1-CD 3.43Å; E984-R994 IonicContact OE1-CZ 2.93Å; E984-R994 IonicContact OE1-NE 3.26Å; E984-R994 IonicContact OE1-NH1 3.3Å; E984-R994 PolarHBondContact OE1-NH1 3.15Å; E984-R994 VanDerWaalsContact OE1-NH1 3.1Å
995	E	89.7	Confident	88.4	Confident	28 Å²	28	45.3 Å²	45.3	13%	0.131	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	49.3	82.7	-175.9	-54.7	-59	143.2	0	0	111.1	L842 N845 D872 H873 H983	L842-E995 HydrophobicContact CD2-CB 4.19Å; L842-E995 HydrophobicContact CD2-CG 4.16Å; N845-E995 WeakPolarHBondContact OD1-CG 3.24Å; D872-E995 HydrophobicContact CB-CB 4.47Å; D872-E995 WeakPolarHBondContact CB-OE2 3.38Å; D872-E995 WeakPolarHBondContact OD2-CA 3.47Å; H873-E995 PolarHBondContact CE1-O 3.39Å; H983-E995 HydrophobicContact CB-CB 3.77Å; H983-E995 PolarHBondContact N-O 3.21Å; H983-E995 VanDerWaalsContact N-O 3.15Å
996	L	93.2	Very high	88.4	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	152.1	-173.8	-63.5	97.6	0	0	0	112.4	G871 D872 I966 S970 L972 V980 I981 M993	G871-L996 CarbonylContact C-O 3.52Å; G871-L996 VanDerWaalsContact CA-O 3.3Å; G871-L996 WeakPolarHBondContact CA-O 3.38Å; D872-L996 PolarHBondContact N-O 3.11Å; D872-L996 PolarHBondContact OD2-N 3.22Å; I966-L996 HydrophobicContact CD1-CD2 4.31Å; I966-L996 HydrophobicContact CG1-CD2 3.9Å; I966-L996 HydrophobicContact CG2-CD1 3.92Å; I966-L996 HydrophobicContact CG2-CD2 4.47Å; S970-L996 WeakPolarHBondContact OG-CD1 3.21Å; L972-L996 HydrophobicContact CD1-CB 3.8Å; V980-L996 HydrophobicContact CB-CD2 4.1Å; V980-L996 HydrophobicContact CG1-CD2 4.38Å; V980-L996 HydrophobicContact CG2-CD2 3.96Å; I981-L996 CarbonylContact O-C 3.6Å; I981-L996 VanDerWaalsContact O-CA 3.27Å; I981-L996 WeakPolarHBondContact O-CA 3.33Å; M993-L996 HydrophobicContact CB-CD1 4.34Å; M993-L996 HydrophobicContact CB-CD2 3.94Å; M993-L996 HydrophobicContact CB-CG 4.27Å; M993-L996 HydrophobicContact CE-CD2 3.88Å; M993-L996 WeakPolarHBondContact O-CD1 3.5Å; M993-L996 HydrophobicContact SD-CD2 4.28Å
997	V	93.7	Very high	88.5	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135	172.1	178.8	0	0	0	0	109.4	H873 R935 I938 V980 I981	H873-V997 HydrophobicContact CB-CG2 3.6Å; H873-V997 WeakPolarHBondContact ND1-CG2 3.3Å; R935-V997 HydrophobicContact CB-CG1 4.26Å; R935-V997 HydrophobicContact CG-CG1 3.57Å; I938-V997 HydrophobicContact CD1-CG2 4.17Å; V980-V997 WeakPolarHBondContact CA-O 3.49Å; I981-V997 PolarHBondContact N-O 3.36Å; I981-V997 PolarHBondContact O-N 3.19Å
998	E	93.8	Very high	88.7	Confident	79 Å²	79	45.6 Å²	45.6	37%	0.369	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	132.8	172.9	176.8	177	-158.8	0	0	110.7	G870 R935 P977	G870-E998 PolarHBondContact O-N 3.46Å; R935-E998 WeakPolarHBondContact CD-O 3.44Å; P977-E998 HydrophobicContact CB-CB 4.02Å; P977-E998 HydrophobicContact CB-CG 3.67Å; P977-E998 HydrophobicContact CG-CB 4.17Å; P977-E998 HydrophobicContact CG-CG 4.37Å
999	I	92.6	Very high	89.1	Confident	8 Å²	8	45.9 Å²	45.9	4%	0.041	23%	0.234	C	C	.	.			trans	-129.2	155.2	177.9	58.2	153.1	0	0	0	112.3	T939 T946 W979 I981 W1003 L1004	T939-I999 WeakPolarHBondContact OG1-CG2 3.38Å; T946-I999 HydrophobicContact CG2-CD1 4.34Å; W979-I999 HydrophobicContact CB-CD1 4.45Å; W979-I999 HydrophobicContact CB-CG1 3.94Å; W979-I999 WeakPolarHBondContact CB-O 3.46Å; W979-I999 PolarHBondContact O-N 3.29Å; I981-I999 HydrophobicContact CB-CG2 4.42Å; I981-I999 HydrophobicContact CD1-CD1 4.03Å; I981-I999 HydrophobicContact CD1-CG2 3.64Å; I981-I999 HydrophobicContact CG1-CD1 3.7Å; I981-I999 HydrophobicContact CG1-CG1 4.05Å; I981-I999 HydrophobicContact CG1-CG2 3.75Å; I999-W1003 HydrophobicContact CB-CE3 4.13Å; I999-W1003 HydrophobicContact CB-CZ3 4.29Å; I999-W1003 HydrophobicContact CG2-CE3 4.34Å; I999-W1003 HydrophobicContact CG2-CZ3 4.37Å; I999-L1004 HydrophobicContact CD1-CD1 3.97Å; I999-L1004 HydrophobicContact CD1-CD2 3.88Å; I999-L1004 HydrophobicContact CD1-CG 3.92Å
1000	E	90.7	Very high	89.2	Confident	108 Å²	108	46.1 Å²	46.1	51%	0.505	23%	0.227	S	C	.	.			trans	-88	142.4	165.5	-61.7	-178.8	168.4	0	0	110.5	T1002 W1003	E1000-T1002 VanDerWaalsContact C-N 3.26Å; E1000-T1002 PolarHBondContact O-N 3.3Å; E1000-W1003 HydrophobicContact CB-CD2 3.9Å; E1000-W1003 HydrophobicContact CB-CE3 4.44Å; E1000-W1003 HydrophobicContact CB-CG 4.18Å; E1000-W1003 HydrophobicContact CB-CZ2 3.96Å; E1000-W1003 HydrophobicContact CG-CD2 4.46Å; E1000-W1003 HydrophobicContact CG-CH2 4.1Å; E1000-W1003 HydrophobicContact CG-CZ2 3.59Å; E1000-W1003 PolarHBondContact O-N 2.98Å; E1000-W1003 PolarHBondContact OE2-NE1 3.43Å
1001	N	87.7	Confident	89.3	Confident	46 Å²	46	42.1 Å²	42.1	25%	0.246	21%	0.209	C	C	.	.	H	α-helix	trans	-65	-29.3	-178.1	68.7	-36.4	0	0	0	112.9	W979 W1003 L1004 V1017	W979-N1001 HydrophobicContact CD2-CB 4.12Å; W979-N1001 HydrophobicContact CG-CB 4.34Å; W979-N1001 HydrophobicContact CZ2-CB 4.22Å; N1001-W1003 VanDerWaalsContact C-N 3.25Å; N1001-W1003 PolarHBondContact O-N 3.41Å; N1001-L1004 PolarHBondContact O-N 2.96Å; N1001-V1017 HydrophobicContact CB-CG1 3.73Å; N1001-V1017 PolarHBondContact ND2-O 3.28Å; N1001-V1017 VanDerWaalsContact O-CG1 3.25Å; N1001-V1017 WeakPolarHBondContact O-CG1 3.48Å
1002	T	90.1	Very high	89.2	Confident	63 Å²	63	41.3 Å²	41.3	39%	0.387	21%	0.205	S	C	.	.	H	α-helix	trans	-59.8	-34.8	175.9	49.4	0	0	0	0	112.3	E1000 L1004 L1005 E1006	E1000-T1002 VanDerWaalsContact C-N 3.26Å; E1000-T1002 PolarHBondContact O-N 3.3Å; T1002-L1004 VanDerWaalsContact C-N 3.29Å; T1002-L1004 PolarHBondContact O-N 3.46Å; T1002-L1005 PolarHBondContact O-N 3.11Å; T1002-E1006 PolarHBondContact O-N 3.05Å; T1002-E1006 VanDerWaalsContact O-N 3.15Å
1003	W	91.2	Very high	88.9	Confident	6 Å²	6	47 Å²	47	2%	0.023	23%	0.23	C	C	.	.	H	α-helix	trans	-67.8	-30.1	-177.6	-54.3	-10	0	0	0	112.1	V932 R935 K936 T939 I999 E1000 N1001 L1005 E1006 V1007	V932-W1003 HydrophobicContact CG1-CH2 3.98Å; V932-W1003 HydrophobicContact CG1-CZ2 3.59Å; V932-W1003 HydrophobicContact CG2-CZ2 4.49Å; R935-W1003 HydrophobicContact CB-CE3 4.5Å; R935-W1003 HydrophobicContact CB-CH2 4.24Å; R935-W1003 HydrophobicContact CB-CZ3 3.63Å; K936-W1003 HydrophobicContact CD-CG 4.48Å; K936-W1003 VanDerWaalsContact CE-CD1 3.48Å; K936-W1003 HydrophobicContact CG-CD2 3.84Å; K936-W1003 HydrophobicContact CG-CE3 4.04Å; K936-W1003 HydrophobicContact CG-CG 4.1Å; T939-W1003 HydrophobicContact CG2-CB 4.5Å; I999-W1003 HydrophobicContact CB-CE3 4.13Å; I999-W1003 HydrophobicContact CB-CZ3 4.29Å; I999-W1003 HydrophobicContact CG2-CE3 4.34Å; I999-W1003 HydrophobicContact CG2-CZ3 4.37Å; E1000-W1003 HydrophobicContact CB-CD2 3.9Å; E1000-W1003 HydrophobicContact CB-CE3 4.44Å; E1000-W1003 HydrophobicContact CB-CG 4.18Å; E1000-W1003 HydrophobicContact CB-CZ2 3.96Å; E1000-W1003 HydrophobicContact CG-CD2 4.46Å; E1000-W1003 HydrophobicContact CG-CH2 4.1Å; E1000-W1003 HydrophobicContact CG-CZ2 3.59Å; E1000-W1003 PolarHBondContact O-N 2.98Å; E1000-W1003 PolarHBondContact OE2-NE1 3.43Å; N1001-W1003 VanDerWaalsContact C-N 3.25Å; N1001-W1003 PolarHBondContact O-N 3.41Å; W1003-L1005 VanDerWaalsContact C-N 3.29Å; W1003-L1005 PolarHBondContact O-N 3.43Å; W1003-E1006 PolarHBondContact O-N 3.04Å; W1003-V1007 WeakPolarHBondContact O-CB 3.4Å; W1003-V1007 WeakPolarHBondContact O-CG2 3.49Å; W1003-V1007 PolarHBondContact O-N 3.36Å
1004	L	88.8	Confident	88.4	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.2	-37.1	175.9	-66	176.2	0	0	0	112	T939 F943 T946 W979 I999 N1001 T1002 A1008 Y1012	T939-L1004 HydrophobicContact CG2-CD2 3.78Å; F943-L1004 HydrophobicContact CB-CD2 4.35Å; T946-L1004 HydrophobicContact CG2-CD1 4.12Å; T946-L1004 HydrophobicContact CG2-CD2 3.62Å; W979-L1004 HydrophobicContact CE3-CD1 4Å; W979-L1004 HydrophobicContact CZ3-CD1 3.89Å; I999-L1004 HydrophobicContact CD1-CD1 3.97Å; I999-L1004 HydrophobicContact CD1-CD2 3.88Å; I999-L1004 HydrophobicContact CD1-CG 3.92Å; N1001-L1004 PolarHBondContact O-N 2.96Å; T1002-L1004 VanDerWaalsContact C-N 3.29Å; T1002-L1004 PolarHBondContact O-N 3.46Å; L1004-A1008 CarbonylContact O-C 3.59Å; L1004-A1008 PolarHBondContact O-N 3.16Å; L1004-Y1012 HydrophobicContact CB-CD2 3.9Å; L1004-Y1012 HydrophobicContact CB-CE2 4.24Å; L1004-Y1012 HydrophobicContact CB-CG 4.4Å; L1004-Y1012 HydrophobicContact CD1-CE2 4.4Å; L1004-Y1012 HydrophobicContact CD2-CD2 4.4Å; L1004-Y1012 HydrophobicContact CD2-CE2 3.91Å; L1004-Y1012 HydrophobicContact CG-CE2 4.42Å
1005	L	88.6	Confident	87.9	Confident	51 Å²	51	59.1 Å²	59.1	27%	0.267	29%	0.286	S	S	.	.	H	α-helix	trans	-74.6	-35.2	176.3	-65.4	171.9	0	0	0	111.9	T1002 W1003 P1009 Q1014 V1017	T1002-L1005 PolarHBondContact O-N 3.11Å; W1003-L1005 VanDerWaalsContact C-N 3.29Å; W1003-L1005 PolarHBondContact O-N 3.43Å; L1005-P1009 WeakPolarHBondContact O-CB 3.43Å; L1005-Q1014 HydrophobicContact CD1-CG 4.31Å; L1005-V1017 HydrophobicContact CD1-CB 4.21Å; L1005-V1017 HydrophobicContact CD1-CG1 4.06Å; L1005-V1017 HydrophobicContact CD2-CB 4.24Å; L1005-V1017 HydrophobicContact CD2-CG2 3.79Å; L1005-V1017 HydrophobicContact CG-CB 4.19Å; L1005-V1017 HydrophobicContact CG-CG1 4.09Å; L1005-V1017 HydrophobicContact CG-CG2 4.04Å
1006	E	87.8	Confident	87.3	Confident	109 Å²	109	61.1 Å²	61.1	51%	0.509	30%	0.295	S	S	.	.	H	α-helix	trans	-67.2	-40.2	175.7	-70.4	176.6	-171.3	0	0	112.3	K936 T1002 W1003	K936-E1006 IonicContact NZ-OE1 3.36Å; K936-E1006 IonicContact NZ-OE2 3.07Å; K936-E1006 PolarHBondContact NZ-OE2 2.91Å; T1002-E1006 PolarHBondContact O-N 3.05Å; T1002-E1006 VanDerWaalsContact O-N 3.15Å; W1003-E1006 PolarHBondContact O-N 3.04Å
1007	V	87.2	Confident	86.4	Confident	30 Å²	30	61.1 Å²	61.1	18%	0.182	30%	0.296	C	S	.	.	H	α-helix	trans	-91	-39.2	-169	172	0	0	0	0	112.4	T939 A940 W1003	T939-V1007 HydrophobicContact CG2-CB 4.42Å; T939-V1007 HydrophobicContact CG2-CG1 4.45Å; T939-V1007 HydrophobicContact CG2-CG2 4.37Å; A940-V1007 HydrophobicContact CB-CG1 3.65Å; W1003-V1007 WeakPolarHBondContact O-CB 3.4Å; W1003-V1007 WeakPolarHBondContact O-CG2 3.49Å; W1003-V1007 PolarHBondContact O-N 3.36Å
1008	A	86.7	Confident	85.2	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.316	C	S	.	.			trans	-134.9	62.4	-176.3	0	0	0	0	0	112.4	F943 L1004 H1010 Y1011 Y1012	F943-A1008 HydrophobicContact CB-CB 4.2Å; F943-A1008 HydrophobicContact CD1-CB 4.17Å; F943-A1008 HydrophobicContact CD2-CB 3.76Å; F943-A1008 HydrophobicContact CE2-CB 4.2Å; F943-A1008 HydrophobicContact CG-CB 3.77Å; L1004-A1008 CarbonylContact O-C 3.59Å; L1004-A1008 PolarHBondContact O-N 3.16Å; A1008-H1010 PolarHBondContact O-N 3.35Å; A1008-Y1011 PolarHBondContact O-N 3.43Å; A1008-Y1011 VanDerWaalsContact O-N 3.11Å; A1008-Y1012 HydrophobicContact CB-CD2 4.35Å; A1008-Y1012 PolarHBondContact O-N 2.92Å
1009	P	85.6	Confident	83.6	Confident	87 Å²	87	62 Å²	62	57%	0.565	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.2	179.6	27	-35.1	0	0	0	113.3	L1005	L1005-P1009 WeakPolarHBondContact O-CB 3.43Å
1010	H	85.2	Confident	81.8	Confident	118 Å²	118	66.4 Å²	66.4	55%	0.546	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-27.1	176.2	57.4	-69.5	0	0	0	112.9	A793 A1008	A793-H1010 PolarHBondContact O-NE2 3.21Å; A1008-H1010 PolarHBondContact O-N 3.35Å
1011	Y	86	Confident	80.1	Confident	29 Å²	29	64 Å²	64	11%	0.114	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-40.9	-177.4	-170.1	-100.4	0	0	0	112.6	A793 F943 Y944 K959 A1008	A793-Y1011 HydrophobicContact CB-CD2 4.15Å; F943-Y1011 AromaticContact CD2-CD1 3.92Å; F943-Y1011 HydrophobicContact CD2-CD1 3.92Å; F943-Y1011 HydrophobicContact CD2-CE1 4.48Å; F943-Y1011 HydrophobicContact CD2-CG 4.09Å; F943-Y1011 HydrophobicContact CE2-CD1 4.08Å; F943-Y1011 HydrophobicContact CE2-CD2 4.21Å; F943-Y1011 AromaticContact CE2-CG 3.82Å; F943-Y1011 HydrophobicContact CE2-CG 3.82Å; Y944-Y1011 HydrophobicContact CD2-CE1 4.36Å; Y944-Y1011 AromaticContact CD2-CE2 3.78Å; Y944-Y1011 HydrophobicContact CD2-CE2 3.78Å; Y944-Y1011 AromaticContact CD2-CZ 3.57Å; Y944-Y1011 VanDerWaalsContact CD2-OH 3.28Å; Y944-Y1011 WeakPolarHBondContact CD2-OH 3.36Å; Y944-Y1011 AromaticContact CE2-CE2 3.59Å; Y944-Y1011 HydrophobicContact CE2-CE2 3.59Å; Y944-Y1011 AromaticContact CE2-CZ 3.57Å; Y944-Y1011 WeakPolarHBondContact CE2-OH 3.39Å; K959-Y1011 HydrophobicContact CD-CE1 4.26Å; K959-Y1011 HydrophobicContact CG-CE1 3.85Å; K959-Y1011 WeakPolarHBondContact CG-OH 3.44Å; K959-Y1011 PolarHBondContact NZ-O 3.29Å; A1008-Y1011 PolarHBondContact O-N 3.43Å; A1008-Y1011 VanDerWaalsContact O-N 3.11Å
1012	Y	86.1	Confident	78.5	Confident	4 Å²	4	65.8 Å²	65.8	2%	0.016	35%	0.349	C	S	.	.			trans	-102	128.3	179.9	-71.3	-68.3	0	0	0	111.9	F943 T946 V958 L1004 A1008 V1017	F943-Y1012 HydrophobicContact CB-CE2 4.18Å; F943-Y1012 HydrophobicContact CD2-CE2 4.23Å; F943-Y1012 WeakPolarHBondContact O-CE2 3.49Å; F943-Y1012 PolarHBondContact O-OH 2.97Å; T946-Y1012 PolarHBondContact OG1-OH 2.92Å; V958-Y1012 HydrophobicContact CB-CE1 4.19Å; V958-Y1012 HydrophobicContact CG1-CD1 4.31Å; V958-Y1012 HydrophobicContact CG1-CE1 3.68Å; L1004-Y1012 HydrophobicContact CB-CD2 3.9Å; L1004-Y1012 HydrophobicContact CB-CE2 4.24Å; L1004-Y1012 HydrophobicContact CB-CG 4.4Å; L1004-Y1012 HydrophobicContact CD1-CE2 4.4Å; L1004-Y1012 HydrophobicContact CD2-CD2 4.4Å; L1004-Y1012 HydrophobicContact CD2-CE2 3.91Å; L1004-Y1012 HydrophobicContact CG-CE2 4.42Å; A1008-Y1012 HydrophobicContact CB-CD2 4.35Å; A1008-Y1012 PolarHBondContact O-N 2.92Å; Y1012-V1017 HydrophobicContact CD1-CG2 4.2Å; Y1012-V1017 HydrophobicContact CG-CG2 4.18Å
1013	K	83.2	Confident	76.6	Confident	152 Å²	152	70.4 Å²	70.4	66%	0.661	36%	0.364	S	S	*	.			trans	-92.6	147.5	168.9	-67.9	175.7	-178	172.8	0	109.4	K1015 E1016 V1017	K1013-K1015 PolarHBondContact O-N 3.03Å; K1013-E1016 WeakPolarHBondContact O-CB 3.38Å; K1013-E1016 PolarHBondContact O-N 3.15Å; K1013-V1017 PolarHBondContact O-N 2.97Å
1014	Q	80.5	Confident	74.5	Confident	132 Å²	132	79.6 Å²	79.6	62%	0.617	40%	0.404	S	S	*	.	H	α-helix	trans	-53.4	-32.6	179.8	-164.3	165	17.7	0	0	113.1	L1005 E1016 V1017 D1018	L1005-Q1014 HydrophobicContact CD1-CG 4.31Å; Q1014-E1016 VanDerWaalsContact C-N 3.31Å; Q1014-E1016 PolarHBondContact O-N 3.47Å; Q1014-V1017 PolarHBondContact O-N 3.45Å; Q1014-D1018 VanDerWaalsContact O-CB 3.24Å; Q1014-D1018 WeakPolarHBondContact O-CB 3.43Å; Q1014-D1018 VanDerWaalsContact O-CG 3.26Å; Q1014-D1018 PolarHBondContact O-N 3.35Å
1015	K	78.4	Confident	72.3	Confident	191 Å²	191	87.2 Å²	87.2	83%	0.83	44%	0.441	S	S	*	.	H	α-helix	trans	-63.3	-30.1	175.8	-65.6	-176.4	-179.6	178.5	0	114.7	K1013	K1013-K1015 PolarHBondContact O-N 3.03Å
1016	E	76.4	Confident	70.5	Confident	70 Å²	70	90.4 Å²	90.4	33%	0.327	47%	0.465	S	S	.	.	H	α-helix	trans	-82.6	-30.2	-178.9	-63.4	174.2	-178.3	0	0	111.3	K959 K1013 Q1014	K959-E1016 IonicContact NZ-OE1 3.78Å; K959-E1016 PolarHBondContact NZ-OE1 2.96Å; K959-E1016 IonicContact NZ-OE2 2.86Å; K959-E1016 PolarHBondContact NZ-OE2 3.4Å; K1013-E1016 WeakPolarHBondContact O-CB 3.38Å; K1013-E1016 PolarHBondContact O-N 3.15Å; Q1014-E1016 VanDerWaalsContact C-N 3.31Å; Q1014-E1016 PolarHBondContact O-N 3.47Å
1017	V	74.5	Confident	68.7	Low	1 Å²	1	94.6 Å²	94.6	1%	0.006	48%	0.482	C	S	.	.	H	α-helix	trans	-89	-25.3	-178.5	-175.4	0	0	0	0	112.1	N1001 L1005 Y1012 K1013 Q1014 D1019	N1001-V1017 HydrophobicContact CB-CG1 3.73Å; N1001-V1017 PolarHBondContact ND2-O 3.28Å; N1001-V1017 VanDerWaalsContact O-CG1 3.25Å; N1001-V1017 WeakPolarHBondContact O-CG1 3.48Å; L1005-V1017 HydrophobicContact CD1-CB 4.21Å; L1005-V1017 HydrophobicContact CD1-CG1 4.06Å; L1005-V1017 HydrophobicContact CD2-CB 4.24Å; L1005-V1017 HydrophobicContact CD2-CG2 3.79Å; L1005-V1017 HydrophobicContact CG-CB 4.19Å; L1005-V1017 HydrophobicContact CG-CG1 4.09Å; L1005-V1017 HydrophobicContact CG-CG2 4.04Å; Y1012-V1017 HydrophobicContact CD1-CG2 4.2Å; Y1012-V1017 HydrophobicContact CG-CG2 4.18Å; K1013-V1017 PolarHBondContact O-N 2.97Å; Q1014-V1017 PolarHBondContact O-N 3.45Å; V1017-D1019 PolarHBondContact O-N 3.38Å
1018	D	68	Low	67.1	Low	79 Å²	79	99.5 Å²	99.5	42%	0.422	51%	0.512	S	S	.	.			trans	-66.6	99.7	179	-89.1	-3.9	0	0	0	111.3	Q1014 S1020	Q1014-D1018 VanDerWaalsContact O-CB 3.24Å; Q1014-D1018 WeakPolarHBondContact O-CB 3.43Å; Q1014-D1018 VanDerWaalsContact O-CG 3.26Å; Q1014-D1018 PolarHBondContact O-N 3.35Å; D1018-S1020 PolarHBondContact O-N 3.01Å
1019	D	60.9	Low	65.7	Low	18 Å²	18	107 Å²	107	10%	0.096	55%	0.55	C	S	.	*			trans	-63.9	103.6	174	-101	-39.4	0	0	0	110.8	R978 W979 V1017 A1021 S1022	R978-D1019 IonicContact CZ-OD1 3.49Å; R978-D1019 IonicContact CZ-OD2 2.91Å; R978-D1019 IonicContact NE-OD2 3.54Å; R978-D1019 VanDerWaalsContact NH1-CG 3.31Å; R978-D1019 IonicContact NH1-OD1 3.95Å; R978-D1019 IonicContact NH1-OD2 2.74Å; R978-D1019 PolarHBondContact NH1-OD2 3.08Å; R978-D1019 IonicContact NH2-OD1 2.85Å; R978-D1019 PolarHBondContact NH2-OD1 3.07Å; R978-D1019 IonicContact NH2-OD2 3.11Å; R978-D1019 PolarHBondContact NH2-OD2 3.24Å; R978-D1019 VanDerWaalsContact NH2-OD2 3.11Å; W979-D1019 PolarHBondContact NE1-OD2 3.47Å; V1017-D1019 PolarHBondContact O-N 3.38Å; D1019-A1021 PolarHBondContact O-N 2.94Å; D1019-S1022 PolarHBondContact O-N 3.03Å; D1019-S1022 PolarHBondContact O-OG 3.49Å
1020	S	55.1	Low	64.3	Low	100 Å²	100	105.7 Å²	105.7	70%	0.699	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.4	-10.8	175.4	-63	0	0	0	0	113.7	D1018	D1018-S1020 PolarHBondContact O-N 3.01Å
1021	A	54.9	Low	63.5	Low	57 Å²	57	106.6 Å²	106.6	47%	0.471	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.1	-16.6	177.6	0	0	0	0	0	114.7	R978 D1019	R978-A1021 VanDerWaalsContact NH2-CB 3.29Å; D1019-A1021 PolarHBondContact O-N 2.94Å
1022	S	53.9	Low	62.7	Low	84 Å²	84	109 Å²	109	59%	0.587	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-16.9	175.7	59.3	0	0	0	0	112.5	D1019 K1024	D1019-S1022 PolarHBondContact O-N 3.03Å; D1019-S1022 PolarHBondContact O-OG 3.49Å; S1022-K1024 PolarHBondContact O-N 3.07Å
1023	K	50.3	Low	62	Low	161 Å²	161	118.2 Å²	118.2	70%	0.7	61%	0.609	S	S	*	*	S	Bend	trans	-68.2	98.4	164.9	-79.1	179.8	179.5	169.6	0	108.8	M1025	K1023-M1025 PolarHBondContact O-N 2.97Å
1024	K	46.5	Very low	61.6	Low	198 Å²	198	118 Å²	118	86%	0.861	61%	0.611	S	S	*	*			trans	-42.5	128.4	156.5	-76.7	-178.4	178.2	174.9	0	106.6	S1022	S1022-K1024 PolarHBondContact O-N 3.07Å
1025	M	43.4	Very low	61.4	Low	161 Å²	161	117.1 Å²	117.1	79%	0.793	61%	0.606	S	S	*	*			trans	-43.7	131.9	170.2	-75.5	-163.6	-44.1	0	0	107.3	K1023 K1027	K1023-M1025 PolarHBondContact O-N 2.97Å; M1025-K1027 PolarHBondContact O-N 3.41Å
1026	P	49.5	Very low	61.1	Low	118 Å²	118	113.9 Å²	113.9	77%	0.766	60%	0.598	S	S	*	*			trans	-51.8	120.2	172.1	21.2	-29.9	0	0	0	106	T1028	P1026-T1028 PolarHBondContact O-N 2.92Å
1027	K	50.9	Low	61	Low	196 Å²	196	114.1 Å²	114.1	85%	0.852	61%	0.607	S	S	*	*			trans	-48.7	117.3	172.9	-78.1	-177.8	175.6	-178.9	0	104.8	M1025 I1029	M1025-K1027 PolarHBondContact O-N 3.41Å; K1027-I1029 VanDerWaalsContact C-N 3.33Å; K1027-I1029 PolarHBondContact O-N 3.47Å
1028	T	53.2	Low	60.3	Low	134 Å²	134	127.5 Å²	127.5	82%	0.822	66%	0.658	S	S	*	*			trans	-52.9	108.2	171.3	-22.7	0	0	0	0	104.4	P1026 G1030	P1026-T1028 PolarHBondContact O-N 2.92Å; T1028-G1030 VanDerWaalsContact C-N 3.27Å; T1028-G1030 PolarHBondContact O-N 3.26Å
1029	I	56.6	Low	59.9	Low	157 Å²	157	130 Å²	130	81%	0.805	67%	0.669	S	S	*	*			trans	-63.6	102.4	176.5	-65.9	168.9	0	0	0	103.2	K1027 K1031	K1027-I1029 VanDerWaalsContact C-N 3.33Å; K1027-I1029 PolarHBondContact O-N 3.47Å; I1029-K1031 PolarHBondContact O-N 2.95Å
1030	G	56	Low	59.8	Low	60 Å²	60	135.8 Å²	135.8	62%	0.619	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-57.2	124.7	171.9	0	0	0	0	0	106.6	T1028 T1032	T1028-G1030 VanDerWaalsContact C-N 3.27Å; T1028-G1030 PolarHBondContact O-N 3.26Å; G1030-T1032 PolarHBondContact O-N 3.44Å
1031	K	68.4	Low	60.1	Low	136 Å²	136	137.8 Å²	137.8	59%	0.591	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-48.8	131.2	171.4	-74.7	-174.9	172.5	-172.8	0	108.4	I1029 E1035 L1036	I1029-K1031 PolarHBondContact O-N 2.95Å; K1031-E1035 HydrophobicContact CB-CB 4.1Å; K1031-E1035 HydrophobicContact CG-CB 4.47Å; K1031-L1036 HydrophobicContact CB-CD1 4.06Å; K1031-L1036 HydrophobicContact CB-CG 3.94Å
1032	T	70.1	Confident	60.4	Low	81 Å²	81	142.6 Å²	142.6	50%	0.497	71%	0.713	S	S	.	*	P	Polyproline II helix	trans	-60.7	153.4	173.5	46.3	0	0	0	0	109.4	G1030 E1034 E1035 L1036	G1030-T1032 PolarHBondContact O-N 3.44Å; T1032-E1034 PolarHBondContact O-N 3.24Å; T1032-E1034 VanDerWaalsContact O-N 3.09Å; T1032-E1035 WeakPolarHBondContact O-CA 3.49Å; T1032-E1035 PolarHBondContact O-N 2.9Å; T1032-E1035 WeakPolarHBondContact OG1-CG 3.5Å; T1032-L1036 PolarHBondContact O-N 3.26Å; T1032-L1036 VanDerWaalsContact O-N 3.13Å
1033	Y	70.7	Confident	60.8	Low	196 Å²	196	146.3 Å²	146.3	77%	0.769	72%	0.721	S	S	*	*	H	α-helix	trans	-53.9	-31.1	177.8	-179.6	-97.2	0	0	0	112.3	L1036 S1037	Y1033-L1036 PolarHBondContact O-N 2.88Å; Y1033-S1037 WeakPolarHBondContact O-CB 3.32Å; Y1033-S1037 PolarHBondContact O-N 2.79Å; Y1033-S1037 PolarHBondContact O-OG 3.21Å
1034	E	75.7	Confident	61.5	Low	148 Å²	148	145.3 Å²	145.3	69%	0.692	72%	0.722	S	S	*	*	H	α-helix	trans	-68.7	-29.3	174.2	-68.7	-178.5	158.8	0	0	113.9	T1032 S1037	T1032-E1034 PolarHBondContact O-N 3.24Å; T1032-E1034 VanDerWaalsContact O-N 3.09Å; E1034-S1037 WeakPolarHBondContact CA-OG 3.49Å
1035	E	75.9	Confident	62.6	Low	113 Å²	113	141.5 Å²	141.5	53%	0.528	71%	0.712	S	S	.	*	H	α-helix	trans	-83.8	-15.5	173.1	-74.8	-177.5	165.4	0	0	113.2	K1031 T1032	K1031-E1035 HydrophobicContact CB-CB 4.1Å; K1031-E1035 HydrophobicContact CG-CB 4.47Å; T1032-E1035 WeakPolarHBondContact O-CA 3.49Å; T1032-E1035 PolarHBondContact O-N 2.9Å; T1032-E1035 WeakPolarHBondContact OG1-CG 3.5Å
1036	L	71.9	Confident	64.1	Low	123 Å²	123	140 Å²	140	64%	0.644	71%	0.706	S	S	*	*	H	α-helix	trans	-92.9	-15.4	173.2	-80.4	156.4	0	0	0	112.9	K1031 T1032 Y1033	K1031-L1036 HydrophobicContact CB-CD1 4.06Å; K1031-L1036 HydrophobicContact CB-CG 3.94Å; T1032-L1036 PolarHBondContact O-N 3.26Å; T1032-L1036 VanDerWaalsContact O-N 3.13Å; Y1033-L1036 PolarHBondContact O-N 2.88Å
1037	S	74.2	Confident	65.3	Low	76 Å²	76	141.8 Å²	141.8	53%	0.531	70%	0.701	S	S	.	*			trans	-106.2	0.1	-179.3	52.3	0	0	0	0	114.4	Y1033 E1034	Y1033-S1037 WeakPolarHBondContact O-CB 3.32Å; Y1033-S1037 PolarHBondContact O-N 2.79Å; Y1033-S1037 PolarHBondContact O-OG 3.21Å; E1034-S1037 WeakPolarHBondContact CA-OG 3.49Å
1038	R	59.8	Low	66.6	Low	282 Å²	282	136.9 Å²	136.9	100%	1.064	69%	0.687	S	S	*	*			trans	-96.5	0	160.5	-74.6	-176.4	176.8	179.1	1.6	109.7

Retrieved 1,038 of 1,038 residues in 963.9 ms (Link to these results)

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