A0A3Q0KNU6_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KNU6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 959 aa.

						>A0A3Q0KNU6_SCHMA|A0A3Q0KNU6
MLHHLYTCLTDHMLIFVMFYLIYFTNYAKVDGISCSSGFQAHSDGFRSRQCTADVRHCLITLSRESTNEPYNPHSFDCWPWPELENKCPTVRGVCHVLHKSKDDLHETCCCYDHMCNNETLKIVPMSEDLGPGNHHKSGLDHFGLRVRDGDLNVIVASQDFPNSGVVSPQRSDSYEDPSDNGLQIDALTIFVICGILLSTVCTVILLVFCLSPRYKKVRMRFFLACNHPSPSSQYFQNSLDSRVHGALSIVDCFHCPKSSSFKPSFTGGSVITYPVKKSEISCHNISNGDNLHQVGSCIESLGSGFVFCDISETESCAKELANLQLVAKLCHKEKLIGRGRFAEVWLANVPFSLFTHQLKITQDLLNYKNHDNENDSNRKFHQSSTNGSILCHNSNTNLSWHLLCCQQDSRLTKIPNTMLKCLNSNTSFTFVDTHPETSLDYLYSEKSETSIPLKKETKDYPDDKENVHHAETNTSPLLLSTRTVSSTDVNNNSLINNFTTNDESPMPVAVKTFTANEYDAWKTELGIFKAIHSINKRLPAVVSSTATTAPTTINTTATITITTTNNGSISNNNTSNNSTTTTDTVGTISNINSFSIQYVHEILRHIGHPNIVLLLGAGSVQLCRSTITEYRLVMEFASGGSLRQLLSQGGWLSFTEILKISDDIVQGLGFLHSDLVNRQQSNGHRIVYGKYPVAHRDLKPENILIRFDGTVCLSDFGQSVCLAENSPNSPTSNNSCGTSLQDVLTTTYSVSSALESMPKAGTLRYQAPEIIDGAISFTGWALLRTDIYSLGLILWELLTAVLLPVDHENALEGDYETHNIDFKLIDSPANASPSIGSDLCLMNGLHPEFDLLDPRNSVNVDHRTPEHRKMKKRHHWLPYEKELGSLCNSSAALQQLVCLEKYRPAGHPSWFHSTLITHFYRTINECWDHDPEARLTADCILKRIRFLKGQMNKTKKSD
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.4	Very low	51.9	Low	205 Å²	205	104.8 Å²	104.8	100%	1.01	53%	0.533	S	S	*	.				0	-84.1	0	-67.4	-153.3	-68.3	0	0	112.4	H3 H4 L5	M1-H3 PolarHBondContact O-N 3.26Å; M1-H3 VanDerWaalsContact O-N 3.14Å; M1-H4 CarbonylContact O-C 3.53Å; M1-H4 WeakPolarHBondContact O-CA 3.44Å; M1-H4 VanDerWaalsContact O-CB 3.26Å; M1-H4 WeakPolarHBondContact O-CB 3.43Å; M1-H4 PolarHBondContact O-N 3.25Å; M1-L5 PolarHBondContact O-N 3.15Å
2	L	46.9	Very low	52.4	Low	138 Å²	138	106.3 Å²	106.3	72%	0.723	54%	0.536	S	S	*	.	H	α-helix	trans	-49.4	-45	-173	-101.9	127.9	0	0	0	115.7	H4 L5 Y6	L2-H4 VanDerWaalsContact C-N 3.3Å; L2-H4 PolarHBondContact O-N 3.37Å; L2-L5 PolarHBondContact O-N 2.99Å; L2-Y6 WeakPolarHBondContact O-CB 3.21Å; L2-Y6 PolarHBondContact O-N 3.18Å
3	H	51	Low	52.6	Low	135 Å²	135	104 Å²	104	63%	0.625	52%	0.524	S	S	*	.	H	α-helix	trans	-64.8	-33.3	175.3	-168.8	-69.3	0	0	0	113.1	M1 T7	M1-H3 PolarHBondContact O-N 3.26Å; M1-H3 VanDerWaalsContact O-N 3.14Å; H3-T7 WeakPolarHBondContact O-CG2 3.37Å; H3-T7 PolarHBondContact O-N 3.13Å; H3-T7 PolarHBondContact O-OG1 2.85Å
4	H	52.4	Low	52.9	Low	148 Å²	148	104.7 Å²	104.7	69%	0.685	53%	0.529	S	S	*	.	H	α-helix	trans	-75.6	-35.1	177.8	-133.2	-32.2	0	0	0	111.6	M1 L2 T7 C8	M1-H4 CarbonylContact O-C 3.53Å; M1-H4 WeakPolarHBondContact O-CA 3.44Å; M1-H4 VanDerWaalsContact O-CB 3.26Å; M1-H4 WeakPolarHBondContact O-CB 3.43Å; M1-H4 PolarHBondContact O-N 3.25Å; L2-H4 VanDerWaalsContact C-N 3.3Å; L2-H4 PolarHBondContact O-N 3.37Å; H4-T7 PolarHBondContact O-OG1 3.06Å; H4-C8 WeakPolarHBondContact O-CB 3.32Å; H4-C8 PolarHBondContact O-N 3.28Å
5	L	48.8	Very low	53.5	Low	113 Å²	113	103.7 Å²	103.7	59%	0.592	52%	0.524	S	S	*	.	H	α-helix	trans	-68.7	-39.8	171.8	-161.6	79.4	0	0	0	110.3	M1 L2 L9	M1-L5 PolarHBondContact O-N 3.15Å; L2-L5 PolarHBondContact O-N 2.99Å; L5-L9 HydrophobicContact CD2-CD1 4.49Å; L5-L9 HydrophobicContact CG-CD1 4.19Å; L5-L9 VanDerWaalsContact O-CB 3.27Å; L5-L9 WeakPolarHBondContact O-CB 3.46Å; L5-L9 PolarHBondContact O-N 3.24Å
6	Y	51.7	Low	53.8	Low	84 Å²	84	106.7 Å²	106.7	33%	0.329	53%	0.533	S	S	.	.	H	α-helix	trans	-63.8	-51	174.6	-176.1	-91.6	0	0	0	111.4	L2 C8 L9 T10 I205 F209	L2-Y6 WeakPolarHBondContact O-CB 3.21Å; L2-Y6 PolarHBondContact O-N 3.18Å; Y6-C8 VanDerWaalsContact C-N 3.35Å; Y6-C8 PolarHBondContact O-N 3.25Å; Y6-L9 PolarHBondContact O-N 3.19Å; Y6-T10 HydrophobicContact CD1-CG2 4.09Å; Y6-T10 HydrophobicContact CE1-CG2 3.59Å; Y6-T10 HydrophobicContact CE2-CG2 4.18Å; Y6-T10 PolarHBondContact O-N 3.18Å; Y6-T10 PolarHBondContact O-OG1 2.87Å; Y6-T10 VanDerWaalsContact O-OG1 3.12Å; Y6-I205 HydrophobicContact CE2-CG2 4.35Å; Y6-F209 AromaticContact CE2-CE2 3.76Å; Y6-F209 HydrophobicContact CE2-CE2 3.76Å; Y6-F209 AromaticContact CZ-CE2 3.78Å
7	T	57.2	Low	54.1	Low	43 Å²	43	104.4 Å²	104.4	26%	0.264	53%	0.526	S	S	.	.	H	α-helix	trans	-61	-44.4	175.6	53	0	0	0	0	111.2	H3 H4 L9 T10 D11	H3-T7 WeakPolarHBondContact O-CG2 3.37Å; H3-T7 PolarHBondContact O-N 3.13Å; H3-T7 PolarHBondContact O-OG1 2.85Å; H4-T7 PolarHBondContact O-OG1 3.06Å; T7-L9 VanDerWaalsContact C-N 3.35Å; T7-L9 PolarHBondContact O-N 3.3Å; T7-T10 WeakPolarHBondContact CA-OG1 3.42Å; T7-T10 PolarHBondContact O-N 3.42Å; T7-T10 PolarHBondContact O-OG1 3.06Å; T7-D11 WeakPolarHBondContact O-CB 3.18Å; T7-D11 PolarHBondContact O-N 2.79Å; T7-D11 VanDerWaalsContact O-OD2 3.09Å
8	C	51.1	Low	54	Low	62 Å²	62	104.4 Å²	104.4	42%	0.419	53%	0.525	S	S	.	.	H	α-helix	trans	-61.8	-40.3	177.5	-166.6	0	0	0	0	112.2	H4 Y6 H12	H4-C8 WeakPolarHBondContact O-CB 3.32Å; H4-C8 PolarHBondContact O-N 3.28Å; Y6-C8 VanDerWaalsContact C-N 3.35Å; Y6-C8 PolarHBondContact O-N 3.25Å; C8-H12 VanDerWaalsContact O-CB 3.28Å; C8-H12 WeakPolarHBondContact O-CB 3.05Å; C8-H12 PolarHBondContact O-CD2 3.02Å; C8-H12 VanDerWaalsContact O-CD2 3.24Å; C8-H12 PolarHBondContact O-N 2.76Å
9	L	54.9	Low	54	Low	103 Å²	103	106.5 Å²	106.5	54%	0.539	53%	0.531	S	S	.	.	H	α-helix	trans	-66.3	-44.6	172.7	-88.7	156.8	0	0	0	112.5	L5 Y6 T7 M13	L5-L9 HydrophobicContact CD2-CD1 4.49Å; L5-L9 HydrophobicContact CG-CD1 4.19Å; L5-L9 VanDerWaalsContact O-CB 3.27Å; L5-L9 WeakPolarHBondContact O-CB 3.46Å; L5-L9 PolarHBondContact O-N 3.24Å; Y6-L9 PolarHBondContact O-N 3.19Å; T7-L9 VanDerWaalsContact C-N 3.35Å; T7-L9 PolarHBondContact O-N 3.3Å; L9-M13 WeakPolarHBondContact O-CB 3.36Å; L9-M13 WeakPolarHBondContact O-CG 3.35Å; L9-M13 PolarHBondContact O-N 2.86Å
10	T	60.3	Low	53.8	Low	32 Å²	32	106.4 Å²	106.4	20%	0.196	53%	0.525	C	S	.	.	H	α-helix	trans	-67.9	-37.2	177.9	53	0	0	0	0	112	Y6 T7 M13 L14	Y6-T10 HydrophobicContact CD1-CG2 4.09Å; Y6-T10 HydrophobicContact CE1-CG2 3.59Å; Y6-T10 HydrophobicContact CE2-CG2 4.18Å; Y6-T10 PolarHBondContact O-N 3.18Å; Y6-T10 PolarHBondContact O-OG1 2.87Å; Y6-T10 VanDerWaalsContact O-OG1 3.12Å; T7-T10 WeakPolarHBondContact CA-OG1 3.42Å; T7-T10 PolarHBondContact O-N 3.42Å; T7-T10 PolarHBondContact O-OG1 3.06Å; T10-M13 PolarHBondContact O-N 3.33Å; T10-L14 WeakPolarHBondContact O-CB 3.37Å; T10-L14 WeakPolarHBondContact O-CD1 3.43Å; T10-L14 PolarHBondContact O-N 3.05Å
11	D	56	Low	53.5	Low	90 Å²	90	105.8 Å²	105.8	48%	0.481	52%	0.523	S	S	.	.	H	α-helix	trans	-69.8	-46.2	178.1	-63.5	-20.7	0	0	0	109.8	T7 M13 L14 I15	T7-D11 WeakPolarHBondContact O-CB 3.18Å; T7-D11 PolarHBondContact O-N 2.79Å; T7-D11 VanDerWaalsContact O-OD2 3.09Å; D11-M13 PolarHBondContact O-N 3.02Å; D11-L14 PolarHBondContact O-N 3.39Å; D11-I15 VanDerWaalsContact O-CB 3.31Å; D11-I15 WeakPolarHBondContact O-CB 3.49Å; D11-I15 WeakPolarHBondContact O-CD1 3.25Å; D11-I15 WeakPolarHBondContact O-CG1 3.24Å; D11-I15 PolarHBondContact O-N 3.16Å
12	H	58.3	Low	54	Low	122 Å²	122	100.1 Å²	100.1	57%	0.565	50%	0.496	S	S	*	.	H	α-helix	trans	-64	-37.7	173.4	-87.8	-89	0	0	0	112.6	C8 I15 F16	C8-H12 VanDerWaalsContact O-CB 3.28Å; C8-H12 WeakPolarHBondContact O-CB 3.05Å; C8-H12 PolarHBondContact O-CD2 3.02Å; C8-H12 VanDerWaalsContact O-CD2 3.24Å; C8-H12 PolarHBondContact O-N 2.76Å; H12-I15 PolarHBondContact O-N 3.46Å; H12-F16 WeakPolarHBondContact O-CB 3.31Å; H12-F16 PolarHBondContact O-N 3.13Å
13	M	55.3	Low	53.8	Low	77 Å²	77	99 Å²	99	38%	0.379	48%	0.483	S	S	.	.	H	α-helix	trans	-72	-36.4	176.1	-70.2	-69.2	-77.3	0	0	112.1	L9 T10 D11 F16 V17 V201	L9-M13 WeakPolarHBondContact O-CB 3.36Å; L9-M13 WeakPolarHBondContact O-CG 3.35Å; L9-M13 PolarHBondContact O-N 2.86Å; T10-M13 PolarHBondContact O-N 3.33Å; D11-M13 PolarHBondContact O-N 3.02Å; M13-F16 PolarHBondContact O-N 2.92Å; M13-V17 WeakPolarHBondContact O-CB 3.36Å; M13-V17 VanDerWaalsContact O-CG2 3.28Å; M13-V17 WeakPolarHBondContact O-CG2 3.48Å; M13-V17 PolarHBondContact O-N 2.9Å; M13-V201 HydrophobicContact CE-CB 4.29Å; M13-V201 HydrophobicContact CE-CG1 3.72Å; M13-V201 HydrophobicContact CE-CG2 3.54Å
14	L	56.3	Low	53.3	Low	114 Å²	114	95.8 Å²	95.8	60%	0.597	47%	0.467	S	S	*	.	H	α-helix	trans	-66.8	-40.3	170.3	-108.2	99.2	0	0	0	111.1	T10 D11 F16 V17 M18	T10-L14 WeakPolarHBondContact O-CB 3.37Å; T10-L14 WeakPolarHBondContact O-CD1 3.43Å; T10-L14 PolarHBondContact O-N 3.05Å; D11-L14 PolarHBondContact O-N 3.39Å; L14-F16 VanDerWaalsContact C-N 3.32Å; L14-V17 PolarHBondContact O-N 2.85Å; L14-M18 WeakPolarHBondContact O-CA 3.37Å; L14-M18 WeakPolarHBondContact O-CB 3.4Å; L14-M18 WeakPolarHBondContact O-CG 3.43Å; L14-M18 PolarHBondContact O-N 2.96Å
15	I	61.2	Low	52.6	Low	89 Å²	89	93.1 Å²	93.1	46%	0.456	46%	0.461	S	S	.	.	H	α-helix	trans	-62.8	-41.6	173.7	-71.2	163.8	0	0	0	109.6	D11 H12 M18 F19	D11-I15 VanDerWaalsContact O-CB 3.31Å; D11-I15 WeakPolarHBondContact O-CB 3.49Å; D11-I15 WeakPolarHBondContact O-CD1 3.25Å; D11-I15 WeakPolarHBondContact O-CG1 3.24Å; D11-I15 PolarHBondContact O-N 3.16Å; H12-I15 PolarHBondContact O-N 3.46Å; I15-M18 PolarHBondContact O-N 2.8Å; I15-F19 HydrophobicContact CG2-CD2 3.79Å; I15-F19 HydrophobicContact CG2-CE2 4.14Å; I15-F19 VanDerWaalsContact O-CB 3.31Å; I15-F19 WeakPolarHBondContact O-CB 3.32Å; I15-F19 WeakPolarHBondContact O-CD2 3.33Å; I15-F19 PolarHBondContact O-N 3.42Å
16	F	59.5	Low	52	Low	152 Å²	152	92.3 Å²	92.3	67%	0.667	46%	0.458	S	S	*	.	H	α-helix	trans	-67.6	-42.8	177.5	-143.1	-85.1	0	0	0	111.7	H12 M13 L14 F19 Y20	H12-F16 WeakPolarHBondContact O-CB 3.31Å; H12-F16 PolarHBondContact O-N 3.13Å; M13-F16 PolarHBondContact O-N 2.92Å; L14-F16 VanDerWaalsContact C-N 3.32Å; F16-F19 PolarHBondContact O-N 2.93Å; F16-Y20 WeakPolarHBondContact O-CB 3.12Å; F16-Y20 PolarHBondContact O-N 3.4Å
17	V	58	Low	51.3	Low	68 Å²	68	95.2 Å²	95.2	41%	0.412	47%	0.469	S	S	.	.	H	α-helix	trans	-68.8	-36.2	175.2	170.6	0	0	0	0	111.4	M13 L14 Y20 L21	M13-V17 WeakPolarHBondContact O-CB 3.36Å; M13-V17 VanDerWaalsContact O-CG2 3.28Å; M13-V17 WeakPolarHBondContact O-CG2 3.48Å; M13-V17 PolarHBondContact O-N 2.9Å; L14-V17 PolarHBondContact O-N 2.85Å; V17-Y20 PolarHBondContact O-N 3.34Å; V17-L21 HydrophobicContact CG1-CD1 3.82Å; V17-L21 HydrophobicContact CG1-CG 4.23Å; V17-L21 WeakPolarHBondContact O-CB 3.42Å; V17-L21 WeakPolarHBondContact O-CG 3.21Å; V17-L21 PolarHBondContact O-N 2.76Å
18	M	52.2	Low	50	Low	104 Å²	104	96.6 Å²	96.6	51%	0.512	49%	0.485	S	S	.	.	H	α-helix	trans	-70.7	-40	173.6	-72.5	-127.5	71.5	0	0	111.5	L14 I15 Y20 L21 I22	L14-M18 WeakPolarHBondContact O-CA 3.37Å; L14-M18 WeakPolarHBondContact O-CB 3.4Å; L14-M18 WeakPolarHBondContact O-CG 3.43Å; L14-M18 PolarHBondContact O-N 2.96Å; I15-M18 PolarHBondContact O-N 2.8Å; M18-Y20 VanDerWaalsContact C-N 3.34Å; M18-L21 PolarHBondContact O-N 3.47Å; M18-I22 WeakPolarHBondContact O-CB 3.41Å; M18-I22 WeakPolarHBondContact O-CD1 3.45Å; M18-I22 WeakPolarHBondContact O-CG1 3.31Å; M18-I22 PolarHBondContact O-N 3.25Å
19	F	53.6	Low	49.1	Very low	145 Å²	145	98 Å²	98	64%	0.636	48%	0.484	S	S	*	.	H	α-helix	trans	-64.9	-39.4	170.9	-100.5	-85.2	0	0	0	111.3	I15 F16 I22 Y23	I15-F19 HydrophobicContact CG2-CD2 3.79Å; I15-F19 HydrophobicContact CG2-CE2 4.14Å; I15-F19 VanDerWaalsContact O-CB 3.31Å; I15-F19 WeakPolarHBondContact O-CB 3.32Å; I15-F19 WeakPolarHBondContact O-CD2 3.33Å; I15-F19 PolarHBondContact O-N 3.42Å; F16-F19 PolarHBondContact O-N 2.93Å; F19-I22 PolarHBondContact O-N 3.13Å; F19-Y23 WeakPolarHBondContact O-CA 3.43Å; F19-Y23 WeakPolarHBondContact O-CB 3.22Å; F19-Y23 PolarHBondContact O-N 2.74Å
20	Y	49.9	Very low	47.9	Very low	103 Å²	103	96.8 Å²	96.8	40%	0.404	48%	0.481	S	S	.	.	H	α-helix	trans	-70.3	-38.7	177.8	-157.6	-92.6	0	0	0	111.3	F16 V17 M18 Y23 F24	F16-Y20 WeakPolarHBondContact O-CB 3.12Å; F16-Y20 PolarHBondContact O-N 3.4Å; V17-Y20 PolarHBondContact O-N 3.34Å; M18-Y20 VanDerWaalsContact C-N 3.34Å; Y20-Y23 PolarHBondContact O-N 3.13Å; Y20-F24 AromaticContact CD1-CD2 3.89Å; Y20-F24 HydrophobicContact CD1-CD2 3.89Å; Y20-F24 HydrophobicContact CD1-CE2 4.47Å; Y20-F24 AromaticContact CE1-CD2 3.46Å; Y20-F24 HydrophobicContact CE1-CD2 3.46Å; Y20-F24 VanDerWaalsContact CE1-CD2 3.46Å; Y20-F24 AromaticContact CE1-CE2 3.61Å; Y20-F24 HydrophobicContact CE1-CE2 3.61Å; Y20-F24 AromaticContact CZ-CD2 3.98Å; Y20-F24 AromaticContact CZ-CE2 3.76Å; Y20-F24 WeakPolarHBondContact O-CB 3.49Å; Y20-F24 PolarHBondContact O-N 2.83Å
21	L	47.4	Very low	46.3	Very low	94 Å²	94	100.7 Å²	100.7	49%	0.492	50%	0.501	S	S	.	.	H	α-helix	trans	-69.5	-39	172.9	-75.6	171.1	0	0	0	111.9	V17 M18 F24 T25	V17-L21 HydrophobicContact CG1-CD1 3.82Å; V17-L21 HydrophobicContact CG1-CG 4.23Å; V17-L21 WeakPolarHBondContact O-CB 3.42Å; V17-L21 WeakPolarHBondContact O-CG 3.21Å; V17-L21 PolarHBondContact O-N 2.76Å; M18-L21 PolarHBondContact O-N 3.47Å; L21-F24 PolarHBondContact O-N 2.96Å; L21-T25 WeakPolarHBondContact O-CB 3.34Å; L21-T25 WeakPolarHBondContact O-CG2 3.05Å; L21-T25 PolarHBondContact O-N 3.02Å; L21-T25 PolarHBondContact O-OG1 3.42Å
22	I	51.1	Low	44.9	Very low	86 Å²	86	98.5 Å²	98.5	44%	0.441	50%	0.499	S	S	.	.	H	α-helix	trans	-68.1	-38.5	173.1	-71.5	163.9	0	0	0	110	M18 F19 T25 N26	M18-I22 WeakPolarHBondContact O-CB 3.41Å; M18-I22 WeakPolarHBondContact O-CD1 3.45Å; M18-I22 WeakPolarHBondContact O-CG1 3.31Å; M18-I22 PolarHBondContact O-N 3.25Å; F19-I22 PolarHBondContact O-N 3.13Å; I22-T25 PolarHBondContact O-OG1 3.28Å; I22-N26 VanDerWaalsContact O-CB 3.31Å; I22-N26 WeakPolarHBondContact O-CB 3.09Å; I22-N26 PolarHBondContact O-N 3.18Å; I22-N26 VanDerWaalsContact O-N 3.1Å; I22-N26 PolarHBondContact O-ND2 3.02Å
23	Y	43	Very low	43.3	Very low	116 Å²	116	98.7 Å²	98.7	46%	0.455	50%	0.503	S	S	.	.	H	α-helix	trans	-63.3	-46.9	173.4	-169.8	-95.9	0	0	0	109.7	F19 Y20 N26 Y27	F19-Y23 WeakPolarHBondContact O-CA 3.43Å; F19-Y23 WeakPolarHBondContact O-CB 3.22Å; F19-Y23 PolarHBondContact O-N 2.74Å; Y20-Y23 PolarHBondContact O-N 3.13Å; Y23-N26 CarbonylContact O-C 3.5Å; Y23-N26 PolarHBondContact O-N 2.96Å; Y23-Y27 HydrophobicContact CD1-CD2 4.19Å; Y23-Y27 AromaticContact CE1-CD2 3.73Å; Y23-Y27 HydrophobicContact CE1-CD2 3.73Å; Y23-Y27 HydrophobicContact CE1-CE2 4.02Å; Y23-Y27 HydrophobicContact CE1-CG 4.28Å; Y23-Y27 HydrophobicContact CE2-CD2 4.24Å; Y23-Y27 HydrophobicContact CE2-CE2 4.16Å; Y23-Y27 AromaticContact CZ-CD2 3.76Å; Y23-Y27 AromaticContact CZ-CE2 3.63Å; Y23-Y27 WeakPolarHBondContact O-CB 3.23Å; Y23-Y27 PolarHBondContact O-N 3.31Å; Y23-Y27 WeakPolarHBondContact OH-CE2 3.48Å
24	F	40.5	Very low	41.9	Very low	66 Å²	66	98.7 Å²	98.7	29%	0.289	51%	0.51	S	S	.	.	H	α-helix	trans	-73.3	-32.9	178.7	-107.7	-86.8	0	0	0	115.2	Y20 L21 N26 Y27 A28 I190	Y20-F24 AromaticContact CD1-CD2 3.89Å; Y20-F24 HydrophobicContact CD1-CD2 3.89Å; Y20-F24 HydrophobicContact CD1-CE2 4.47Å; Y20-F24 AromaticContact CE1-CD2 3.46Å; Y20-F24 HydrophobicContact CE1-CD2 3.46Å; Y20-F24 VanDerWaalsContact CE1-CD2 3.46Å; Y20-F24 AromaticContact CE1-CE2 3.61Å; Y20-F24 HydrophobicContact CE1-CE2 3.61Å; Y20-F24 AromaticContact CZ-CD2 3.98Å; Y20-F24 AromaticContact CZ-CE2 3.76Å; Y20-F24 WeakPolarHBondContact O-CB 3.49Å; Y20-F24 PolarHBondContact O-N 2.83Å; L21-F24 PolarHBondContact O-N 2.96Å; F24-N26 PolarHBondContact O-N 2.96Å; F24-Y27 PolarHBondContact O-N 3.11Å; F24-A28 WeakPolarHBondContact O-CB 3.4Å; F24-A28 PolarHBondContact O-N 3.11Å; F24-I190 HydrophobicContact CE2-CG2 4.22Å; F24-I190 HydrophobicContact CZ-CD1 3.88Å; F24-I190 HydrophobicContact CZ-CG2 3.8Å
25	T	39.1	Very low	40.4	Very low	92 Å²	92	95.6 Å²	95.6	56%	0.564	50%	0.498	S	S	*	.	H	α-helix	trans	-72.5	-21.1	171.8	55.7	0	0	0	0	111.8	L21 I22	L21-T25 WeakPolarHBondContact O-CB 3.34Å; L21-T25 WeakPolarHBondContact O-CG2 3.05Å; L21-T25 PolarHBondContact O-N 3.02Å; L21-T25 PolarHBondContact O-OG1 3.42Å; I22-T25 PolarHBondContact O-OG1 3.28Å
26	N	35.9	Very low	38.7	Very low	96 Å²	96	95.4 Å²	95.4	51%	0.513	50%	0.504	S	S	.	.	H	α-helix	trans	-85.3	-29	167.1	-72.7	-55.8	0	0	0	113.3	I22 Y23 F24	I22-N26 VanDerWaalsContact O-CB 3.31Å; I22-N26 WeakPolarHBondContact O-CB 3.09Å; I22-N26 PolarHBondContact O-N 3.18Å; I22-N26 VanDerWaalsContact O-N 3.1Å; I22-N26 PolarHBondContact O-ND2 3.02Å; Y23-N26 CarbonylContact O-C 3.5Å; Y23-N26 PolarHBondContact O-N 2.96Å; F24-N26 PolarHBondContact O-N 2.96Å
27	Y	35.9	Very low	37.3	Very low	145 Å²	145	92.1 Å²	92.1	57%	0.569	50%	0.501	S	S	*	.	H	α-helix	trans	-88.3	-20.2	178.5	-114.6	-93.4	0	0	0	114.7	Y23 F24 K29	Y23-Y27 HydrophobicContact CD1-CD2 4.19Å; Y23-Y27 AromaticContact CE1-CD2 3.73Å; Y23-Y27 HydrophobicContact CE1-CD2 3.73Å; Y23-Y27 HydrophobicContact CE1-CE2 4.02Å; Y23-Y27 HydrophobicContact CE1-CG 4.28Å; Y23-Y27 HydrophobicContact CE2-CD2 4.24Å; Y23-Y27 HydrophobicContact CE2-CE2 4.16Å; Y23-Y27 AromaticContact CZ-CD2 3.76Å; Y23-Y27 AromaticContact CZ-CE2 3.63Å; Y23-Y27 WeakPolarHBondContact O-CB 3.23Å; Y23-Y27 PolarHBondContact O-N 3.31Å; Y23-Y27 WeakPolarHBondContact OH-CE2 3.48Å; F24-Y27 PolarHBondContact O-N 3.11Å; Y27-K29 VanDerWaalsContact C-N 3.26Å
28	A	30.4	Very low	35.7	Very low	72 Å²	72	92.5 Å²	92.5	60%	0.595	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	12.6	172	0	0	0	0	0	112.3	F24 V30	F24-A28 WeakPolarHBondContact O-CB 3.4Å; F24-A28 PolarHBondContact O-N 3.11Å; A28-V30 PolarHBondContact O-N 3.04Å; A28-V30 VanDerWaalsContact O-N 3.16Å
29	K	31.5	Very low	34.4	Very low	91 Å²	91	96.3 Å²	96.3	40%	0.396	53%	0.532	S	S	.	.			trans	-69.3	110.7	167	-78.7	-161.5	177.3	-173.9	0	108.4	Y27 A53 D54	Y27-K29 VanDerWaalsContact C-N 3.26Å; K29-A53 HydrophobicContact CD-CB 3.87Å; K29-A53 PolarHBondContact NZ-O 2.93Å; K29-D54 IonicContact NZ-OD1 3.59Å; K29-D54 PolarHBondContact NZ-OD1 3.24Å
30	V	29.5	Very low	32.9	Very low	79 Å²	79	99 Å²	99	48%	0.479	55%	0.547	S	S	.	.			trans	-36.9	144.8	168.7	-179.8	0	0	0	0	111.6	A28 G32 Y112	A28-V30 PolarHBondContact O-N 3.04Å; A28-V30 VanDerWaalsContact O-N 3.16Å; V30-G32 PolarHBondContact O-N 2.77Å; V30-Y112 HydrophobicContact CG1-CD2 4.48Å
31	D	28.7	Very low	31.8	Very low	114 Å²	114	98.1 Å²	98.1	61%	0.61	56%	0.56	S	S	*	*			trans	-41.7	134.9	176.3	-60.7	-69	0	0	0	112.4	I33 Y112	D31-I33 PolarHBondContact O-N 3.24Å; D31-Y112 HydrophobicContact CB-CE2 4.17Å; D31-Y112 PolarHBondContact OD2-OH 3.3Å
32	G	25.1	Very low	30.8	Very low	44 Å²	44	102.1 Å²	102.1	45%	0.454	58%	0.576	S	S	.	*			trans	-58.6	133.8	-173.9	0	0	0	0	0	111.6	V30 S34	V30-G32 PolarHBondContact O-N 2.77Å; G32-S34 PolarHBondContact O-N 2.79Å
33	I	25.2	Very low	29.5	Very low	126 Å²	126	102.9 Å²	102.9	65%	0.646	59%	0.589	S	S	*	*			trans	-57.3	106.6	178.1	-59.2	172.9	0	0	0	109.2	D31	D31-I33 PolarHBondContact O-N 3.24Å
34	S	26.1	Very low	28.8	Very low	76 Å²	76	104.7 Å²	104.7	53%	0.531	61%	0.607	S	S	.	*			trans	-81.6	119.2	165	50.6	0	0	0	0	108.6	G32 S36	G32-S34 PolarHBondContact O-N 2.79Å; S34-S36 VanDerWaalsContact C-N 3.26Å; S34-S36 PolarHBondContact O-N 3.45Å; S34-S36 PolarHBondContact O-OG 2.88Å; S34-S36 PolarHBondContact OG-OG 2.84Å
35	C	25.2	Very low	28.1	Very low	50 Å²	50	105.3 Å²	105.3	34%	0.338	63%	0.632	S	S	.	*			trans	-70.2	91	163.5	-88.7	0	0	0	0	108.5	S37 F76	C35-S37 PolarHBondContact O-N 3.01Å; C35-F76 HydrophobicContact CB-CE1 4.18Å
36	S	25.6	Very low	27.5	Very low	84 Å²	84	111 Å²	111	59%	0.587	65%	0.649	S	S	*	*			trans	-94.4	58.8	-177.8	-59.2	0	0	0	0	111.5	S34 G38	S34-S36 VanDerWaalsContact C-N 3.26Å; S34-S36 PolarHBondContact O-N 3.45Å; S34-S36 PolarHBondContact O-OG 2.88Å; S34-S36 PolarHBondContact OG-OG 2.84Å; S36-G38 PolarHBondContact O-N 2.86Å; S36-G38 VanDerWaalsContact O-N 3.15Å
37	S	29.3	Very low	27	Very low	84 Å²	84	117.5 Å²	117.5	59%	0.587	67%	0.666	S	S	*	*			trans	-80	90.5	168.8	58.7	0	0	0	0	109.4	C35 F39	C35-S37 PolarHBondContact O-N 3.01Å; S37-F39 PolarHBondContact O-N 3.34Å; S37-F39 VanDerWaalsContact O-N 3.15Å
38	G	24.3	Very low	26.6	Very low	76 Å²	76	114.9 Å²	114.9	78%	0.784	67%	0.67	S	S	*	*			trans	-71.4	102.4	179.4	0	0	0	0	0	112.4	S36	S36-G38 PolarHBondContact O-N 2.86Å; S36-G38 VanDerWaalsContact O-N 3.15Å
39	F	25.1	Very low	26.5	Very low	183 Å²	183	118.3 Å²	118.3	80%	0.803	67%	0.667	S	S	*	*			trans	-122.4	113.9	157.5	-113.9	-91.1	0	0	0	109.4	S37 A41	S37-F39 PolarHBondContact O-N 3.34Å; S37-F39 VanDerWaalsContact O-N 3.15Å; F39-A41 PolarHBondContact O-N 3.23Å; F39-A41 VanDerWaalsContact O-N 3.14Å
40	Q	22.8	Very low	26.5	Very low	203 Å²	203	121.1 Å²	121.1	95%	0.949	68%	0.682	S	S	*	*			trans	-76.2	95.1	171.4	-76.1	-178.6	-21.3	0	0	109.4
41	A	25.8	Very low	26.7	Very low	83 Å²	83	119 Å²	119	69%	0.686	67%	0.67	S	S	*	*			trans	-137.5	94.3	165.9	0	0	0	0	0	110	F39	F39-A41 PolarHBondContact O-N 3.23Å; F39-A41 VanDerWaalsContact O-N 3.14Å
42	H	25.9	Very low	27.1	Very low	179 Å²	179	118.2 Å²	118.2	83%	0.829	67%	0.669	S	S	*	*			trans	12.1	119	158.9	-71.5	-90.8	0	0	0	119.7
43	S	25.5	Very low	27.5	Very low	102 Å²	102	119.6 Å²	119.6	71%	0.713	68%	0.676	S	S	*	*	S	Bend	trans	51.8	72	146.8	59.2	0	0	0	0	117.7
44	D	27.3	Very low	28.1	Very low	153 Å²	153	118.8 Å²	118.8	82%	0.818	67%	0.673	S	S	*	*				-170.7	91.5	123.6	-96.5	-19.9	0	0	0	114.2	F46	D44-F46 PolarHBondContact O-N 2.82Å
45	G	25.4	Very low	28.4	Very low	79 Å²	79	116.3 Å²	116.3	81%	0.814	66%	0.655	S	S	*	*			trans	67.5	-7	135.3	0	0	0	0	0	122.8	R47	G45-R47 PolarHBondContact O-N 3.41Å; G45-R47 VanDerWaalsContact O-N 3.1Å
46	F	26.4	Very low	28.8	Very low	212 Å²	212	119.3 Å²	119.3	93%	0.93	66%	0.659	S	S	*	*			trans	-70.7	107.2	-177.3	-93.7	-92	0	0	0	113.1	D44	D44-F46 PolarHBondContact O-N 2.82Å
47	R	25.8	Very low	29.2	Very low	232 Å²	232	121.7 Å²	121.7	88%	0.875	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-79.5	135.5	173.7	-71.1	-173.7	174.6	-155.5	-3.1	111.3	G45 R49	G45-R47 PolarHBondContact O-N 3.41Å; G45-R47 VanDerWaalsContact O-N 3.1Å; R47-R49 PolarHBondContact O-N 3.47Å
48	S	27.8	Very low	29.3	Very low	91 Å²	91	120.1 Å²	120.1	64%	0.636	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-55.2	129.7	164.8	50.2	0	0	0	0	110.8
49	R	28.3	Very low	29.9	Very low	144 Å²	144	118.7 Å²	118.7	54%	0.543	62%	0.624	S	S	.	*	P	Polyproline II helix	trans	-84.9	120	167.9	-77.7	-173.9	173.9	-175.4	-1.1	108.8	R47 C51	R47-R49 PolarHBondContact O-N 3.47Å; R49-C51 PolarHBondContact O-N 2.88Å
50	Q	32.6	Very low	30.5	Very low	150 Å²	150	113.1 Å²	113.1	70%	0.701	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-67	125.5	161.7	-99.5	171.5	-25.4	0	0	108.7
51	C	32.9	Very low	31.1	Very low	35 Å²	35	104 Å²	104	24%	0.236	56%	0.56	C	S	.	*	P	Polyproline II helix	trans	-67.8	147.5	168	-72.3	0	0	0	0	110.3	R49 V55 C58 C78	R49-C51 PolarHBondContact O-N 2.88Å; C51-V55 HydrophobicContact CB-CB 4.02Å; C51-V55 HydrophobicContact CB-CG1 3.97Å; C51-V55 HydrophobicContact CB-CG2 4.14Å; C51-C58 PolarHBondContact SG-SG 3.31Å; C51-C78 WeakPolarHBondContact CA-SG 3.38Å; C51-C78 HydrophobicContact CB-CB 3.75Å; C51-C78 WeakPolarHBondContact CB-SG 3.44Å; C51-C78 WeakPolarHBondContact SG-CB 3.37Å; C51-C78 CovalentContact SG-SG 2.05Å; C51-C78 PolarHBondContact SG-SG 3.14Å
52	T	35.9	Very low	31.8	Very low	96 Å²	96	101.7 Å²	101.7	59%	0.589	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-65.8	152.3	173.7	48.5	0	0	0	0	110.9	D54 V55	T52-D54 PolarHBondContact O-N 2.88Å; T52-V55 WeakPolarHBondContact O-CB 3.48Å; T52-V55 VanDerWaalsContact O-CG2 3.28Å; T52-V55 WeakPolarHBondContact O-CG2 3.37Å; T52-V55 PolarHBondContact O-N 3.38Å; T52-V55 VanDerWaalsContact O-N 3.13Å; T52-V55 WeakPolarHBondContact OG1-CG2 3.26Å
53	A	35.3	Very low	32.5	Very low	73 Å²	73	93.2 Å²	93.2	60%	0.603	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	3.4	-163.5	0	0	0	0	0	116.4	K29	K29-A53 HydrophobicContact CD-CB 3.87Å; K29-A53 PolarHBondContact NZ-O 2.93Å
54	D	36.2	Very low	33.6	Very low	109 Å²	109	90.1 Å²	90.1	58%	0.583	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.4	7.5	-177.1	-50.1	-50.5	0	0	0	112.2	K29 T52	K29-D54 IonicContact NZ-OD1 3.59Å; K29-D54 PolarHBondContact NZ-OD1 3.24Å; T52-D54 PolarHBondContact O-N 2.88Å
55	V	33.2	Very low	34.3	Very low	25 Å²	25	87.3 Å²	87.3	15%	0.152	45%	0.451	C	S	.	.			trans	-79.6	131.8	175.7	167.1	0	0	0	0	109.9	C51 T52 H57 C78 W79	C51-V55 HydrophobicContact CB-CB 4.02Å; C51-V55 HydrophobicContact CB-CG1 3.97Å; C51-V55 HydrophobicContact CB-CG2 4.14Å; T52-V55 WeakPolarHBondContact O-CB 3.48Å; T52-V55 VanDerWaalsContact O-CG2 3.28Å; T52-V55 WeakPolarHBondContact O-CG2 3.37Å; T52-V55 PolarHBondContact O-N 3.38Å; T52-V55 VanDerWaalsContact O-N 3.13Å; T52-V55 WeakPolarHBondContact OG1-CG2 3.26Å; V55-H57 WeakPolarHBondContact CG1-O 3.4Å; V55-C78 HydrophobicContact CB-CB 4.09Å; V55-C78 HydrophobicContact CG1-CB 3.62Å; V55-C78 HydrophobicContact CG2-CB 3.44Å; V55-C78 VanDerWaalsContact CG2-CB 3.44Å; V55-W79 WeakPolarHBondContact CA-O 3.32Å
56	R	34.3	Very low	35.3	Very low	112 Å²	112	84.5 Å²	84.5	42%	0.423	42%	0.419	S	S	.	.			trans	-109.3	-18.8	177.2	-58.3	-164.9	-164	173.7	12	114.6	W79 L84	R56-W79 PolarHBondContact N-O 3.3Å; R56-L84 PolarHBondContact NH2-O 3.25Å
57	H	33.4	Very low	36.2	Very low	134 Å²	134	78.2 Å²	78.2	62%	0.62	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.2	152.6	175.6	-65	109.7	0	0	0	111.6	V55 W79	V55-H57 WeakPolarHBondContact CG1-O 3.4Å; H57-W79 PolarHBondContact O-N 3.24Å
58	C	31.9	Very low	37	Very low	52 Å²	52	73.2 Å²	73.2	35%	0.351	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130.8	172	-61.6	0	0	0	0	109.5	C51 D77	C51-C58 PolarHBondContact SG-SG 3.31Å; C58-D77 WeakPolarHBondContact CA-O 3.38Å
59	L	35.7	Very low	37.7	Very low	46 Å²	46	72.7 Å²	72.7	24%	0.241	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	130.7	166.5	-169.6	76.1	0	0	0	109	S75 F76 D77	L59-S75 VanDerWaalsContact O-O 3.12Å; L59-F76 WeakPolarHBondContact O-CA 3.38Å; L59-D77 PolarHBondContact N-O 3.1Å; L59-D77 PolarHBondContact O-N 3.48Å
60	I	37.2	Very low	38	Very low	66 Å²	66	69.5 Å²	69.5	34%	0.338	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	120.9	174.3	-53.6	178.3	0	0	0	108.6	L62 P73 S75 F76	I60-L62 HydrophobicContact CG2-CD2 3.86Å; I60-L62 HydrophobicContact CG2-CG 4.35Å; I60-P73 HydrophobicContact CG2-CB 3.83Å; I60-S75 WeakPolarHBondContact CA-O 3.46Å; I60-F76 HydrophobicContact CD1-CE1 3.87Å; I60-F76 HydrophobicContact CG1-CD1 4.12Å; I60-F76 HydrophobicContact CG1-CE1 3.89Å
61	T	36.9	Very low	38.5	Very low	12 Å²	12	65.1 Å²	65.1	7%	0.074	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	136.1	164.9	39.1	0	0	0	0	110.4	P73 H74 S75 V621	T61-P73 CarbonylContact O-C 3.25Å; T61-P73 VanDerWaalsContact O-CA 3.32Å; T61-P73 WeakPolarHBondContact O-CA 3.44Å; T61-H74 PolarHBondContact O-N 3.04Å; T61-S75 PolarHBondContact N-O 3.32Å; T61-S75 WeakPolarHBondContact OG1-CB 3.12Å; T61-S75 PolarHBondContact OG1-N 3.09Å; T61-S75 PolarHBondContact OG1-OG 3.02Å; T61-V621 HydrophobicContact CG2-CG2 3.93Å
62	L	40.8	Very low	38.8	Very low	34 Å²	34	66.4 Å²	66.4	18%	0.178	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.4	-179.9	-68.5	-176	0	0	0	110.9	I60 Y71 P73 V154 V156	I60-L62 HydrophobicContact CG2-CD2 3.86Å; I60-L62 HydrophobicContact CG2-CG 4.35Å; L62-Y71 HydrophobicContact CB-CD1 3.84Å; L62-Y71 HydrophobicContact CB-CG 4.2Å; L62-Y71 HydrophobicContact CD1-CG 4.31Å; L62-P73 HydrophobicContact CD2-CB 4.12Å; L62-V154 PolarHBondContact N-O 3.47Å; L62-V154 PolarHBondContact O-N 2.58Å; L62-V156 HydrophobicContact CD1-CG2 3.83Å
63	S	39.9	Very low	38.9	Very low	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	168.8	169.3	82.2	0	0	0	0	109.8	Y71 N72 H74 N153 C624	S63-Y71 CarbonylContact O-C 3.53Å; S63-Y71 WeakPolarHBondContact O-CA 3.41Å; S63-Y71 WeakPolarHBondContact O-CD1 3.3Å; S63-N72 PolarHBondContact N-O 2.9Å; S63-N72 PolarHBondContact O-N 3.28Å; S63-H74 WeakPolarHBondContact CB-CD2 3.47Å; S63-H74 PolarHBondContact OG-CD2 3.2Å; S63-H74 PolarHBondContact OG-NE2 3.16Å; S63-N153 WeakPolarHBondContact CB-OD1 3.39Å; S63-C624 WeakPolarHBondContact CB-SG 3.43Å; S63-C624 PolarHBondContact OG-SG 3.42Å
64	R	47.6	Very low	39.3	Very low	37 Å²	37	64 Å²	64	14%	0.14	33%	0.33	C	S	.	.			trans	-148.2	142.2	166	63.2	-179.7	-176.6	158.8	3.7	110.9	S66 T67 Y71 L152 C624	R64-S66 VanDerWaalsContact C-N 3.34Å; R64-S66 VanDerWaalsContact CD-O 3.27Å; R64-S66 WeakPolarHBondContact CD-O 3.42Å; R64-S66 WeakPolarHBondContact CG-O 3.28Å; R64-S66 PolarHBondContact O-N 3.36Å; R64-T67 PolarHBondContact NH1-O 3.21Å; R64-Y71 HydrophobicContact CB-CD1 4.07Å; R64-Y71 HydrophobicContact CB-CE1 4.32Å; R64-Y71 HydrophobicContact CB-CG 4.49Å; R64-Y71 HydrophobicContact CG-CD1 4.23Å; R64-Y71 HydrophobicContact CG-CE1 3.96Å; R64-L152 HydrophobicContact CG-CB 4.47Å; R64-L152 HydrophobicContact CG-CD2 4.18Å; R64-L152 PolarHBondContact N-O 2.81Å; R64-L152 WeakPolarHBondContact O-CB 3.46Å; R64-C624 WeakPolarHBondContact O-CB 3.47Å; R64-C624 PolarHBondContact O-SG 3.14Å
65	E	43.7	Very low	39.3	Very low	95 Å²	95	59.4 Å²	59.4	44%	0.444	31%	0.307	S	S	.	.	S	Bend	trans	-79.3	-17.5	-173.3	-47.4	-161.4	170.5	0	0	114.3	E69 C624 R625	E65-E69 WeakPolarHBondContact CB-OE2 3.46Å; E65-C624 HydrophobicContact CG-CB 4.46Å; E65-R625 VanDerWaalsContact O-CZ 3.25Å; E65-R625 PolarHBondContact O-NE 3.1Å; E65-R625 PolarHBondContact O-NH2 3.35Å
66	S	45.5	Very low	39.5	Very low	20 Å²	20	61.4 Å²	61.4	14%	0.14	31%	0.314	C	S	.	.	S	Bend	trans	-149.8	169.7	174	67	0	0	0	0	111	R64 N68 E69	R64-S66 VanDerWaalsContact C-N 3.34Å; R64-S66 VanDerWaalsContact CD-O 3.27Å; R64-S66 WeakPolarHBondContact CD-O 3.42Å; R64-S66 WeakPolarHBondContact CG-O 3.28Å; R64-S66 PolarHBondContact O-N 3.36Å; S66-N68 PolarHBondContact O-N 3.37Å; S66-N68 VanDerWaalsContact O-N 3.16Å; S66-N68 PolarHBondContact OG-N 3.01Å; S66-E69 PolarHBondContact O-N 3.38Å; S66-E69 WeakPolarHBondContact OG-CG 3.13Å; S66-E69 PolarHBondContact OG-N 2.85Å; S66-E69 PolarHBondContact OG-OE1 3.34Å
67	T	44.7	Very low	39.6	Very low	80 Å²	80	57.9 Å²	57.9	49%	0.491	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-19.2	173.1	46.1	0	0	0	0	113.3	R64	R64-T67 PolarHBondContact NH1-O 3.21Å
68	N	42.9	Very low	39.7	Very low	127 Å²	127	52.6 Å²	52.6	68%	0.679	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	4.8	-171.9	-62.2	6.6	0	0	0	112.7	S66	S66-N68 PolarHBondContact O-N 3.37Å; S66-N68 VanDerWaalsContact O-N 3.16Å; S66-N68 PolarHBondContact OG-N 3.01Å
69	E	43	Very low	39.7	Very low	79 Å²	79	52.2 Å²	52.2	37%	0.369	27%	0.273	S	S	.	.	S	Bend	trans	-103	150.3	177.3	-87.2	170.9	-115.4	0	0	112.7	E65 S66	E65-E69 WeakPolarHBondContact CB-OE2 3.46Å; S66-E69 PolarHBondContact O-N 3.38Å; S66-E69 WeakPolarHBondContact OG-CG 3.13Å; S66-E69 PolarHBondContact OG-N 2.85Å; S66-E69 PolarHBondContact OG-OE1 3.34Å
70	P	35.1	Very low	39.6	Very low	78 Å²	78	51.9 Å²	51.9	51%	0.506	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-64.1	157.9	174.2	29.8	-35.7	0	0	0	111.1	N72	P70-N72 PolarHBondContact O-N 3.22Å
71	Y	42.7	Very low	39.4	Very low	57 Å²	57	53.9 Å²	53.9	22%	0.224	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-75	119.9	177.1	-78.8	-80.6	0	0	0	111.6	L62 S63 R64 I123 V154	L62-Y71 HydrophobicContact CB-CD1 3.84Å; L62-Y71 HydrophobicContact CB-CG 4.2Å; L62-Y71 HydrophobicContact CD1-CG 4.31Å; S63-Y71 CarbonylContact O-C 3.53Å; S63-Y71 WeakPolarHBondContact O-CA 3.41Å; S63-Y71 WeakPolarHBondContact O-CD1 3.3Å; R64-Y71 HydrophobicContact CB-CD1 4.07Å; R64-Y71 HydrophobicContact CB-CE1 4.32Å; R64-Y71 HydrophobicContact CB-CG 4.49Å; R64-Y71 HydrophobicContact CG-CD1 4.23Å; R64-Y71 HydrophobicContact CG-CE1 3.96Å; Y71-I123 HydrophobicContact CD2-CD1 4.38Å; Y71-I123 HydrophobicContact CD2-CG1 4.41Å; Y71-I123 HydrophobicContact CE2-CG1 4.38Å; Y71-I123 HydrophobicContact CE2-CG2 4.12Å; Y71-V154 HydrophobicContact CE1-CB 4.33Å; Y71-V154 HydrophobicContact CE1-CG2 3.82Å
72	N	39.5	Very low	39.3	Very low	62 Å²	62	55.5 Å²	55.5	33%	0.332	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	128.9	175.4	-69.9	-33.4	0	0	0	110.9	S63 P70	S63-N72 PolarHBondContact N-O 2.9Å; S63-N72 PolarHBondContact O-N 3.28Å; P70-N72 PolarHBondContact O-N 3.22Å
73	P	38.2	Very low	39	Very low	59 Å²	59	61 Å²	61	38%	0.383	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	123.7	176.9	29.9	-33.4	0	0	0	112.4	I60 T61 L62 F76	I60-P73 HydrophobicContact CG2-CB 3.83Å; T61-P73 CarbonylContact O-C 3.25Å; T61-P73 VanDerWaalsContact O-CA 3.32Å; T61-P73 WeakPolarHBondContact O-CA 3.44Å; L62-P73 HydrophobicContact CD2-CB 4.12Å; P73-F76 HydrophobicContact CB-CE2 3.87Å; P73-F76 HydrophobicContact CB-CZ 4.04Å; P73-F76 HydrophobicContact CG-CE2 4.16Å; P73-F76 HydrophobicContact CG-CZ 4.33Å
74	H	42.4	Very low	38.7	Very low	59 Å²	59	64.5 Å²	64.5	27%	0.273	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-34.5	-174.6	-95.1	-76.4	0	0	0	116.2	T61 S63	T61-H74 PolarHBondContact O-N 3.04Å; S63-H74 WeakPolarHBondContact CB-CD2 3.47Å; S63-H74 PolarHBondContact OG-CD2 3.2Å; S63-H74 PolarHBondContact OG-NE2 3.16Å
75	S	37.3	Very low	37.9	Very low	14 Å²	14	70.7 Å²	70.7	10%	0.098	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	134.6	175	84.9	0	0	0	0	110.5	L59 I60 T61	L59-S75 VanDerWaalsContact O-O 3.12Å; I60-S75 WeakPolarHBondContact CA-O 3.46Å; T61-S75 PolarHBondContact N-O 3.32Å; T61-S75 WeakPolarHBondContact OG1-CB 3.12Å; T61-S75 PolarHBondContact OG1-N 3.09Å; T61-S75 PolarHBondContact OG1-OG 3.02Å
76	F	37	Very low	37.3	Very low	67 Å²	67	73.7 Å²	73.7	29%	0.294	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	109.3	165.1	-74.4	-91	0	0	0	106.9	C35 L59 I60 P73	C35-F76 HydrophobicContact CB-CE1 4.18Å; L59-F76 WeakPolarHBondContact O-CA 3.38Å; I60-F76 HydrophobicContact CD1-CE1 3.87Å; I60-F76 HydrophobicContact CG1-CD1 4.12Å; I60-F76 HydrophobicContact CG1-CE1 3.89Å; P73-F76 HydrophobicContact CB-CE2 3.87Å; P73-F76 HydrophobicContact CB-CZ 4.04Å; P73-F76 HydrophobicContact CG-CE2 4.16Å; P73-F76 HydrophobicContact CG-CZ 4.33Å
77	D	35.3	Very low	36.7	Very low	38 Å²	38	79.4 Å²	79.4	20%	0.203	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	126.4	171.2	-86.3	-65.3	0	0	0	111.1	C58 L59	C58-D77 WeakPolarHBondContact CA-O 3.38Å; L59-D77 PolarHBondContact N-O 3.1Å; L59-D77 PolarHBondContact O-N 3.48Å
78	C	36	Very low	35.9	Very low	23 Å²	23	79.4 Å²	79.4	16%	0.155	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	127.3	-174.4	-54.1	0	0	0	0	109.4	C51 V55 R605	C51-C78 WeakPolarHBondContact CA-SG 3.38Å; C51-C78 HydrophobicContact CB-CB 3.75Å; C51-C78 WeakPolarHBondContact CB-SG 3.44Å; C51-C78 WeakPolarHBondContact SG-CB 3.37Å; C51-C78 CovalentContact SG-SG 2.05Å; C51-C78 PolarHBondContact SG-SG 3.14Å; V55-C78 HydrophobicContact CB-CB 4.09Å; V55-C78 HydrophobicContact CG1-CB 3.62Å; V55-C78 HydrophobicContact CG2-CB 3.44Å; V55-C78 VanDerWaalsContact CG2-CB 3.44Å; C78-R605 PolarHBondContact O-NH2 3.35Å
79	W	32.4	Very low	35.2	Very low	44 Å²	44	78.5 Å²	78.5	17%	0.167	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	126.8	-178.2	-77.1	28.1	0	0	0	114.8	V55 R56 H57 W81 L616	V55-W79 WeakPolarHBondContact CA-O 3.32Å; R56-W79 PolarHBondContact N-O 3.3Å; H57-W79 PolarHBondContact O-N 3.24Å; W79-W81 AromaticContact CE3-NE1 3.65Å; W79-W81 AromaticContact CZ3-NE1 3.9Å; W79-L616 HydrophobicContact CH2-CB 3.47Å; W79-L616 VanDerWaalsContact CH2-CB 3.47Å; W79-L616 HydrophobicContact CH2-CD1 4.2Å; W79-L616 HydrophobicContact CH2-CD2 3.72Å; W79-L616 HydrophobicContact CH2-CG 3.97Å; W79-L616 VanDerWaalsContact CZ2-C 3.46Å; W79-L616 HydrophobicContact CZ2-CB 3.6Å; W79-L616 WeakPolarHBondContact CZ2-O 3.34Å; W79-L616 HydrophobicContact CZ3-CB 4.34Å; W79-L616 HydrophobicContact CZ3-CD2 3.85Å; W79-L616 PolarHBondContact NE1-O 2.81Å; W79-L616 VanDerWaalsContact NE1-O 3.11Å
80	P	33.3	Very low	34.7	Very low	39 Å²	39	81.8 Å²	81.8	25%	0.253	43%	0.431	S	S	.	.			trans	-91	137.9	152.1	34.7	-27.6	0	0	0	110.7
81	W	32.7	Very low	34.4	Very low	107 Å²	107	83.6 Å²	83.6	41%	0.405	44%	0.441	S	S	.	.			trans	-95.2	116.5	169.4	-91.9	72	0	0	0	109.6	W79 E83 L84	W79-W81 AromaticContact CE3-NE1 3.65Å; W79-W81 AromaticContact CZ3-NE1 3.9Å; W81-E83 VanDerWaalsContact C-N 3.29Å; W81-E83 PolarHBondContact O-N 2.97Å; W81-L84 HydrophobicContact CB-CD1 4.45Å
82	P	34.5	Very low	33.6	Very low	47 Å²	47	89.6 Å²	89.6	31%	0.305	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-65.6	-27.6	-177.8	-21.9	33	0	0	0	114.1	L84 R605	P82-L84 PolarHBondContact O-N 2.67Å; P82-L84 VanDerWaalsContact O-N 3.13Å; P82-R605 VanDerWaalsContact CG-O 3.26Å; P82-R605 WeakPolarHBondContact CG-O 3.49Å
83	E	34.6	Very low	33	Very low	150 Å²	150	88.9 Å²	88.9	70%	0.701	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-80.5	9.3	-171	-57.7	-170.3	156.7	0	0	114.4	W81	W81-E83 VanDerWaalsContact C-N 3.29Å; W81-E83 PolarHBondContact O-N 2.97Å
84	L	34.1	Very low	32.4	Very low	72 Å²	72	91.4 Å²	91.4	38%	0.377	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-127.6	16.1	-173.7	-82.9	166.4	0	0	0	115.2	R56 W81 P82 N86 K87	R56-L84 PolarHBondContact NH2-O 3.25Å; W81-L84 HydrophobicContact CB-CD1 4.45Å; P82-L84 PolarHBondContact O-N 2.67Å; P82-L84 VanDerWaalsContact O-N 3.13Å; L84-N86 PolarHBondContact O-N 3.18Å; L84-K87 HydrophobicContact CD2-CB 4.28Å; L84-K87 PolarHBondContact O-N 3.13Å
85	E	31	Very low	31.6	Very low	167 Å²	167	94.4 Å²	94.4	78%	0.78	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-18.5	-174.1	-79	-166.2	146.6	0	0	115.8
86	N	32	Very low	31.1	Very low	159 Å²	159	97.7 Å²	97.7	85%	0.85	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.4	13.3	-179.1	-71.3	-70.6	0	0	0	115.2	L84	L84-N86 PolarHBondContact O-N 3.18Å
87	K	32.2	Very low	30.7	Very low	140 Å²	140	99.2 Å²	99.2	61%	0.609	54%	0.539	S	S	*	.			trans	-137.1	56.5	-180	-68.6	-168.4	178.1	-173.2	0	113.6	L84	L84-K87 HydrophobicContact CD2-CB 4.28Å; L84-K87 PolarHBondContact O-N 3.13Å
88	C	28.5	Very low	30.1	Very low	79 Å²	79	102.9 Å²	102.9	53%	0.534	56%	0.558	S	S	.	*			trans	-99.3	115.8	160.3	-151.3	0	0	0	0	108.6	T90	C88-T90 PolarHBondContact O-N 3.26Å
89	P	28.1	Very low	29.7	Very low	108 Å²	108	109.2 Å²	109.2	70%	0.701	59%	0.585	S	S	*	*			trans	-65.4	130	176.8	-16	29.1	0	0	0	110.5	V91	P89-V91 PolarHBondContact O-N 3.04Å
90	T	32	Very low	29.3	Very low	148 Å²	148	116 Å²	116	91%	0.908	62%	0.616	S	S	*	*	S	Bend	trans	-82.9	21.1	-179.4	43.7	0	0	0	0	113.7	C88	C88-T90 PolarHBondContact O-N 3.26Å
91	V	29.7	Very low	29	Very low	116 Å²	116	119 Å²	119	70%	0.703	64%	0.638	S	S	*	*	S	Bend	trans	-121	130.7	-175.5	-174.5	0	0	0	0	109.2	P89 G93	P89-V91 PolarHBondContact O-N 3.04Å; V91-G93 PolarHBondContact O-N 2.85Å
92	R	24.7	Very low	28.8	Very low	183 Å²	183	122.4 Å²	122.4	69%	0.691	66%	0.655	S	S	*	*	S	Bend	trans	-68.5	120.6	175.9	-76.8	176.5	170	-177.8	-2.9	110
93	G	26.5	Very low	28.6	Very low	48 Å²	48	128 Å²	128	50%	0.495	68%	0.683	S	S	.	*	S	Bend	trans	129.5	137.1	169.1	0	0	0	0	0	114.4	V91	V91-G93 PolarHBondContact O-N 2.85Å
94	V	26.6	Very low	28.3	Very low	112 Å²	112	128.4 Å²	128.4	68%	0.679	69%	0.69	S	S	*	*			trans	67.7	105.8	164	-147.1	0	0	0	0	117.8	H96	V94-H96 WeakPolarHBondContact CG1-CE1 3.46Å; V94-H96 WeakPolarHBondContact CG1-NE2 3.41Å
95	C	24.9	Very low	28	Very low	121 Å²	121	132.8 Å²	132.8	82%	0.818	71%	0.713	S	S	*	*			trans	-75.2	135.4	159.9	-171.9	0	0	0	0	109.5
96	H	27.5	Very low	27.9	Very low	84 Å²	84	134.3 Å²	134.3	39%	0.389	72%	0.72	S	S	.	*			trans	-129.2	57.5	-171.8	-80.7	-50	0	0	0	113.6	V94 N398	V94-H96 WeakPolarHBondContact CG1-CE1 3.46Å; V94-H96 WeakPolarHBondContact CG1-NE2 3.41Å; H96-N398 PolarHBondContact CD2-ND2 2.82Å; H96-N398 PolarHBondContact CE1-ND2 3.15Å; H96-N398 PolarHBondContact ND1-ND2 3.41Å; H96-N398 PolarHBondContact NE2-ND2 3.46Å
97	V	28.1	Very low	27.5	Very low	99 Å²	99	135.5 Å²	135.5	60%	0.6	72%	0.72	S	S	*	*	S	Bend	trans	-133.4	67.5	146.2	-170.4	0	0	0	0	108.2
98	L	23.2	Very low	27.2	Very low	114 Å²	114	135.3 Å²	135.3	60%	0.597	73%	0.731	S	S	*	*	S	Bend	trans	-146.4	113.4	161.1	-94.3	173.4	0	0	0	104.3	K100	L98-K100 PolarHBondContact O-N 2.82Å
99	H	26.8	Very low	27.1	Very low	156 Å²	156	135.2 Å²	135.2	72%	0.722	73%	0.73	S	S	*	*			trans	-85.3	117.6	-178.4	-145.1	-57.4	0	0	0	110.7	F352	H99-F352 AromaticContact CE1-CE2 3.57Å; H99-F352 AromaticContact CE1-CZ 3.97Å; H99-F352 AromaticContact NE2-CE2 3.75Å
100	K	25.2	Very low	27	Very low	186 Å²	186	133.9 Å²	133.9	81%	0.809	72%	0.723	S	S	*	*			trans	-38.2	139.6	-178.1	-69.9	175.2	168.2	-178.4	0	115.4	L98	L98-K100 PolarHBondContact O-N 2.82Å
101	S	27.2	Very low	26.8	Very low	103 Å²	103	130.3 Å²	130.3	72%	0.72	70%	0.702	S	S	*	*				-141.1	125.2	124.7	-178.3	0	0	0	0	111.3
102	K	28	Very low	26.6	Very low	178 Å²	178	132.9 Å²	132.9	77%	0.774	70%	0.701	S	S	*	*			trans	17.8	108	148	-56.8	170.1	178.9	177.9	0	116.7
103	D	29.5	Very low	26.7	Very low	165 Å²	165	129.9 Å²	129.9	88%	0.882	70%	0.699	S	S	*	*				-159.6	128	102.6	-84.3	-26.7	0	0	0	108.6
104	D	29.6	Very low	26.7	Very low	159 Å²	159	134.5 Å²	134.5	85%	0.85	71%	0.707	S	S	*	*			trans	-80.1	120.4	-171.6	-65.3	-57.6	0	0	0	111.6
105	L	27.2	Very low	26.7	Very low	164 Å²	164	136.2 Å²	136.2	86%	0.859	71%	0.709	S	S	*	*			trans	173.1	90.8	153.8	-99.1	151.2	0	0	0	109.9
106	H	27.8	Very low	26.9	Very low	199 Å²	199	135.2 Å²	135.2	92%	0.921	70%	0.702	S	S	*	*			trans	-174.1	128.4	151.6	-92.1	-55.1	0	0	0	111.2
107	E	25.2	Very low	26.7	Very low	183 Å²	183	138.4 Å²	138.4	86%	0.855	72%	0.722	S	S	*	*			trans	-103	124.9	164.5	-63.9	-178.9	155.1	0	0	108.8
108	T	24.6	Very low	26.8	Very low	136 Å²	136	138.2 Å²	138.2	83%	0.834	72%	0.718	S	S	*	*			trans	-175.6	161.5	137.9	17.9	0	0	0	0	111.9
109	C	26.5	Very low	27.2	Very low	77 Å²	77	141.3 Å²	141.3	52%	0.52	73%	0.729	S	S	.	*			trans	-94.2	156.7	-168.5	-179.6	0	0	0	0	112.7
110	C	26.6	Very low	27.2	Very low	81 Å²	81	138.7 Å²	138.7	55%	0.547	73%	0.725	S	S	.	*	S	Bend	trans	-61.3	151.4	165.5	-173.5	0	0	0	0	112.1
111	C	27.5	Very low	27.3	Very low	72 Å²	72	136.1 Å²	136.1	49%	0.486	72%	0.719	S	S	.	*	S	Bend	trans	71.4	137.2	-178.6	-43.6	0	0	0	0	114.2
112	Y	25.9	Very low	27.2	Very low	170 Å²	170	140.1 Å²	140.1	67%	0.667	72%	0.723	S	S	*	*	S	Bend	trans	65.1	107.7	-178.6	-110.5	-99.8	0	0	0	114.3	V30 D31	V30-Y112 HydrophobicContact CG1-CD2 4.48Å; D31-Y112 HydrophobicContact CB-CE2 4.17Å; D31-Y112 PolarHBondContact OD2-OH 3.3Å
113	D	25.5	Very low	27.3	Very low	121 Å²	121	136.8 Å²	136.8	65%	0.647	71%	0.713	S	S	*	*	S	Bend	trans	64	164.8	156.9	-125.3	-51.9	0	0	0	120.6	M115	D113-M115 VanDerWaalsContact C-N 3.29Å; D113-M115 PolarHBondContact O-N 3.22Å
114	H	27.1	Very low	27.2	Very low	144 Å²	144	134.7 Å²	134.7	67%	0.667	71%	0.706	S	S	*	*	S	Bend	trans	68.9	-27	171.5	-45.8	-23	0	0	0	118.6	C116 N117	H114-C116 PolarHBondContact O-N 3.28Å; H114-N117 PolarHBondContact O-N 3.46Å
115	M	26.8	Very low	27.2	Very low	149 Å²	149	131.9 Å²	131.9	73%	0.734	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	12.8	168.2	-74.6	-146.2	73.7	0	0	114.3	D113 N117 N118	D113-M115 VanDerWaalsContact C-N 3.29Å; D113-M115 PolarHBondContact O-N 3.22Å; M115-N117 PolarHBondContact O-N 2.84Å; M115-N118 HydrophobicContact CE-CB 4.09Å
116	C	28.9	Very low	27.1	Very low	99 Å²	99	130.2 Å²	130.2	67%	0.669	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	1.4	167.3	-146	0	0	0	0	113	H114	H114-C116 PolarHBondContact O-N 3.28Å
117	N	24.4	Very low	27.2	Very low	151 Å²	151	125 Å²	125	81%	0.807	67%	0.672	S	S	*	*	S	Bend	trans	-143	78.9	173.7	-77	-48	0	0	0	110.4	H114 M115	H114-N117 PolarHBondContact O-N 3.46Å; M115-N117 PolarHBondContact O-N 2.84Å
118	N	29.4	Very low	27.4	Very low	96 Å²	96	123.6 Å²	123.6	51%	0.513	67%	0.665	S	S	.	*			trans	-123.7	148.5	166.3	-157.6	0.6	0	0	0	111.4	M115 T120	M115-N118 HydrophobicContact CE-CB 4.09Å; N118-T120 VanDerWaalsContact C-N 3.32Å; N118-T120 PolarHBondContact O-N 3.44Å
119	E	31	Very low	27.6	Very low	178 Å²	178	124.3 Å²	124.3	83%	0.832	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	10	-144.6	-56.5	177	170.8	0	0	114.1
120	T	28	Very low	27.7	Very low	102 Å²	102	127.1 Å²	127.1	63%	0.626	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-4.8	-175.6	52.2	0	0	0	0	114.6	N118 K122	N118-T120 VanDerWaalsContact C-N 3.32Å; N118-T120 PolarHBondContact O-N 3.44Å; T120-K122 PolarHBondContact O-N 3.36Å
121	L	26.1	Very low	27.8	Very low	131 Å²	131	126.1 Å²	126.1	69%	0.686	68%	0.677	S	S	*	*			trans	-74.3	69.2	167.6	-97.5	165	0	0	0	111.7	I123 V156	L121-I123 PolarHBondContact O-N 3.47Å; L121-I123 VanDerWaalsContact O-N 3.12Å; L121-V156 HydrophobicContact CD2-CG1 4.4Å
122	K	26.4	Very low	27.8	Very low	187 Å²	187	129.7 Å²	129.7	81%	0.813	70%	0.699	S	S	*	*			trans	-75.1	99.6	168.4	-98.9	-176.7	178.3	173.2	0	110.7	T120 V124	T120-K122 PolarHBondContact O-N 3.36Å; K122-V124 PolarHBondContact O-N 2.91Å; K122-V124 VanDerWaalsContact O-N 3.14Å
123	I	29.7	Very low	28	Very low	108 Å²	108	124.6 Å²	124.6	55%	0.554	70%	0.698	S	S	*	*			trans	-56.9	113.9	154.3	-62.6	167	0	0	0	106.8	Y71 L121 P125	Y71-I123 HydrophobicContact CD2-CD1 4.38Å; Y71-I123 HydrophobicContact CD2-CG1 4.41Å; Y71-I123 HydrophobicContact CE2-CG1 4.38Å; Y71-I123 HydrophobicContact CE2-CG2 4.12Å; L121-I123 PolarHBondContact O-N 3.47Å; L121-I123 VanDerWaalsContact O-N 3.12Å; I123-P125 VanDerWaalsContact O-CD 3.23Å; I123-P125 WeakPolarHBondContact O-CD 3.42Å
124	V	27.7	Very low	28.2	Very low	121 Å²	121	125 Å²	125	73%	0.733	70%	0.7	S	S	*	*			trans	-78.1	111.8	169.1	179.9	0	0	0	0	107.3	K122	K122-V124 PolarHBondContact O-N 2.91Å; K122-V124 VanDerWaalsContact O-N 3.14Å
125	P	28	Very low	28.3	Very low	100 Å²	100	127.3 Å²	127.3	65%	0.649	71%	0.711	S	S	*	*			trans	-70.5	138.4	172.9	-8.5	26.7	0	0	0	108.2	I123 S127	I123-P125 VanDerWaalsContact O-CD 3.23Å; I123-P125 WeakPolarHBondContact O-CD 3.42Å; P125-S127 PolarHBondContact O-N 3.02Å
126	M	26.2	Very low	28.6	Very low	130 Å²	130	128 Å²	128	64%	0.64	71%	0.712	S	S	*	*			trans	-67.5	114.8	152.8	-77.2	-169.6	175.3	0	0	106.2	E128	M126-E128 PolarHBondContact O-N 3.31Å
127	S	29.6	Very low	28.7	Very low	90 Å²	90	131.6 Å²	131.6	63%	0.629	72%	0.716	S	S	*	*			trans	-63.2	120.6	176.7	52.6	0	0	0	0	109.7	P125 D129	P125-S127 PolarHBondContact O-N 3.02Å; S127-D129 PolarHBondContact O-N 2.89Å
128	E	28.8	Very low	29.1	Very low	153 Å²	153	126.9 Å²	126.9	72%	0.715	70%	0.695	S	S	*	*	S	Bend	trans	-72.7	-5.5	178.4	-62.9	-170.9	134.8	0	0	113.2	M126 L130	M126-E128 PolarHBondContact O-N 3.31Å; E128-L130 PolarHBondContact O-N 3.13Å
129	D	28.8	Very low	29.2	Very low	151 Å²	151	125 Å²	125	81%	0.807	70%	0.698	S	S	*	*			trans	-93.4	43.6	-172	-68.6	-45.3	0	0	0	115.4	S127	S127-D129 PolarHBondContact O-N 2.89Å
130	L	30.2	Very low	29.3	Very low	135 Å²	135	119.6 Å²	119.6	71%	0.707	68%	0.675	S	S	*	*			trans	-132.9	103.6	163.8	-75.5	176.8	0	0	0	110.8	E128	E128-L130 PolarHBondContact O-N 3.13Å
131	G	26.8	Very low	29.7	Very low	61 Å²	61	118 Å²	118	63%	0.629	66%	0.662	S	S	*	*			trans	-62.3	167.7	-177.5	0	0	0	0	0	114.5	G133	G131-G133 PolarHBondContact O-N 3Å
132	P	28.7	Very low	30	Very low	146 Å²	146	120 Å²	120	95%	0.948	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	108.8	-171.8	26.7	-34.9	0	0	0	111.3
133	G	30.2	Very low	30.2	Very low	63 Å²	63	118 Å²	118	65%	0.649	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	168.5	-32.1	176.3	0	0	0	0	0	116.4	G131	G131-G133 PolarHBondContact O-N 3Å
134	N	29.4	Very low	30.1	Very low	131 Å²	131	116 Å²	116	70%	0.701	67%	0.666	S	S	*	*			trans	-116.9	90.5	-172.4	-75.4	-23.9	0	0	0	113.1	H136	N134-H136 PolarHBondContact O-N 3.49Å
135	H	30	Very low	30.1	Very low	191 Å²	191	115.2 Å²	115.2	88%	0.884	66%	0.657	S	S	*	*			trans	-75.7	84.1	170.3	-70.7	-78.2	0	0	0	111.6
136	H	32.5	Very low	30.2	Very low	165 Å²	165	120.3 Å²	120.3	76%	0.764	66%	0.663	S	S	*	*			trans	-128.4	109.7	169.1	-82.1	-39.3	0	0	0	112.6	N134	N134-H136 PolarHBondContact O-N 3.49Å
137	K	31.7	Very low	30.7	Very low	173 Å²	173	116.8 Å²	116.8	75%	0.752	65%	0.649	S	S	*	*			trans	45.7	100.7	151.9	-60.1	-179.1	179.7	-178.9	0	115.6
138	S	32.7	Very low	30.9	Very low	53 Å²	53	121.6 Å²	121.6	37%	0.371	65%	0.653	S	S	.	*			trans	-55.4	143.3	162.1	58.6	0	0	0	0	109.9	L140 D141	S138-L140 PolarHBondContact O-N 3.45Å; S138-D141 PolarHBondContact O-N 3.3Å
139	G	30	Very low	31.2	Very low	56 Å²	56	122.4 Å²	122.4	58%	0.577	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.8	-11.8	-176.2	0	0	0	0	0	115	H142 F143	G139-H142 WeakPolarHBondContact O-CB 3.38Å; G139-F143 WeakPolarHBondContact O-CD2 3.44Å
140	L	34.5	Very low	32	Very low	65 Å²	65	118.6 Å²	118.6	34%	0.34	66%	0.66	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80	-23.7	178	-70.4	154.5	0	0	0	113.4	S138 H142 F143 L145 V147	S138-L140 PolarHBondContact O-N 3.45Å; L140-H142 PolarHBondContact O-N 3.03Å; L140-F143 PolarHBondContact O-N 2.98Å; L140-L145 CarbonylContact C-O 3.57Å; L140-L145 HydrophobicContact CB-CB 4.47Å; L140-L145 WeakPolarHBondContact CB-O 3.21Å; L140-L145 PolarHBondContact O-N 3.33Å; L140-L145 VanDerWaalsContact O-N 3.16Å; L140-V147 HydrophobicContact CD1-CB 4.3Å; L140-V147 HydrophobicContact CD1-CG2 3.85Å
141	D	35.4	Very low	32.5	Very low	67 Å²	67	116 Å²	116	36%	0.358	65%	0.647	S	S	.	*	G	3₁₀ helix	trans	-60.9	-25	170.5	-103.8	-15.4	0	0	0	111.4	S138 F143 G144 R146	S138-D141 PolarHBondContact O-N 3.3Å; D141-F143 PolarHBondContact O-N 3.35Å; D141-G144 PolarHBondContact O-N 3.19Å; D141-R146 WeakPolarHBondContact OD1-CG 3.24Å; D141-R146 IonicContact OD1-NE 3.88Å
142	H	33.9	Very low	33.2	Very low	173 Å²	173	115 Å²	115	80%	0.801	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-68.5	-22	175.6	-141.3	76.3	0	0	0	113	G139 L140	G139-H142 WeakPolarHBondContact O-CB 3.38Å; L140-H142 PolarHBondContact O-N 3.03Å
143	F	30.1	Very low	33.7	Very low	145 Å²	145	109.4 Å²	109.4	64%	0.636	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-103.2	10.5	178.5	-61.6	-81.3	0	0	0	112.7	G139 L140 D141 L145	G139-F143 WeakPolarHBondContact O-CD2 3.44Å; L140-F143 PolarHBondContact O-N 2.98Å; D141-F143 PolarHBondContact O-N 3.35Å; F143-L145 HydrophobicContact CB-CD1 4.41Å; F143-L145 PolarHBondContact O-N 2.88Å
144	G	26.2	Very low	34.1	Very low	68 Å²	68	109.2 Å²	109.2	70%	0.701	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.8	8.1	-175.1	0	0	0	0	0	114.5	D141 R146	D141-G144 PolarHBondContact O-N 3.19Å; G144-R146 PolarHBondContact O-N 2.7Å
145	L	27.8	Very low	34.2	Very low	104 Å²	104	106.9 Å²	106.9	55%	0.545	56%	0.561	S	S	.	*			trans	-96.3	91	-177.5	-73	170.9	0	0	0	110.7	L140 F143 V147	L140-L145 CarbonylContact C-O 3.57Å; L140-L145 HydrophobicContact CB-CB 4.47Å; L140-L145 WeakPolarHBondContact CB-O 3.21Å; L140-L145 PolarHBondContact O-N 3.33Å; L140-L145 VanDerWaalsContact O-N 3.16Å; F143-L145 HydrophobicContact CB-CD1 4.41Å; F143-L145 PolarHBondContact O-N 2.88Å; L145-V147 VanDerWaalsContact C-N 3.32Å; L145-V147 PolarHBondContact O-N 3.39Å
146	R	31.7	Very low	34.2	Very low	206 Å²	206	100.7 Å²	100.7	78%	0.777	54%	0.537	S	S	*	.			trans	-73.1	86.4	166.7	-76	-171	-179.6	-178.7	5.3	111	D141 G144	D141-R146 WeakPolarHBondContact OD1-CG 3.24Å; D141-R146 IonicContact OD1-NE 3.88Å; G144-R146 PolarHBondContact O-N 2.7Å
147	V	35.1	Very low	34.1	Very low	56 Å²	56	96.3 Å²	96.3	34%	0.339	53%	0.529	S	S	.	.			trans	-68.9	131	162.1	179.2	0	0	0	0	107.9	L140 L145 D151	L140-V147 HydrophobicContact CD1-CB 4.3Å; L140-V147 HydrophobicContact CD1-CG2 3.85Å; L145-V147 VanDerWaalsContact C-N 3.32Å; L145-V147 PolarHBondContact O-N 3.39Å; V147-D151 HydrophobicContact CG1-CB 3.6Å
148	R	33.9	Very low	33.8	Very low	191 Å²	191	93.5 Å²	93.5	72%	0.721	53%	0.531	S	S	*	.			trans	-74.1	147.4	174.7	-63.7	-179.4	178.4	172.6	4.2	109.3	G150 D151	R148-G150 PolarHBondContact O-N 3.12Å; R148-D151 WeakPolarHBondContact CB-OD2 3.31Å; R148-D151 PolarHBondContact N-OD2 2.99Å; R148-D151 PolarHBondContact O-N 3.14Å
149	D	36.4	Very low	33.6	Very low	170 Å²	170	94.9 Å²	94.9	91%	0.909	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	113.4	168.7	-66.8	-45.5	0	0	0	109.5
150	G	44.4	Very low	33.5	Very low	72 Å²	72	95.8 Å²	95.8	74%	0.742	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	114.5	-15.5	-175.3	0	0	0	0	0	116	R148 L152	R148-G150 PolarHBondContact O-N 3.12Å; G150-L152 PolarHBondContact O-N 3.24Å
151	D	41.4	Very low	33.2	Very low	81 Å²	81	98.5 Å²	98.5	43%	0.433	53%	0.533	S	S	.	.			trans	-77.2	107.9	179.3	-79.6	-33.9	0	0	0	111.8	V147 R148	V147-D151 HydrophobicContact CG1-CB 3.6Å; R148-D151 WeakPolarHBondContact CB-OD2 3.31Å; R148-D151 PolarHBondContact N-OD2 2.99Å; R148-D151 PolarHBondContact O-N 3.14Å
152	L	41.2	Very low	32.9	Very low	40 Å²	40	100.2 Å²	100.2	21%	0.209	55%	0.548	C	S	.	.			trans	-91.6	12.7	-176.7	-71.1	164.2	0	0	0	114.7	R64 G150 C624	R64-L152 HydrophobicContact CG-CB 4.47Å; R64-L152 HydrophobicContact CG-CD2 4.18Å; R64-L152 PolarHBondContact N-O 2.81Å; R64-L152 WeakPolarHBondContact O-CB 3.46Å; G150-L152 PolarHBondContact O-N 3.24Å; L152-C624 HydrophobicContact CD1-CB 4.37Å
153	N	38.5	Very low	32.7	Very low	28 Å²	28	99.2 Å²	99.2	15%	0.15	55%	0.548	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135	-172.3	-59.7	-64.8	0	0	0	112.1	S63 L623	S63-N153 WeakPolarHBondContact CB-OD1 3.39Å; N153-L623 WeakPolarHBondContact ND2-CD2 3.43Å
154	V	38.5	Very low	32.6	Very low	59 Å²	59	98.2 Å²	98.2	36%	0.358	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122	133.1	178.1	-178	0	0	0	0	109.8	L62 Y71 V156	L62-V154 PolarHBondContact N-O 3.47Å; L62-V154 PolarHBondContact O-N 2.58Å; Y71-V154 HydrophobicContact CE1-CB 4.33Å; Y71-V154 HydrophobicContact CE1-CG2 3.82Å; V154-V156 HydrophobicContact CG1-CG2 3.91Å
155	I	31.9	Very low	32.6	Very low	81 Å²	81	98.3 Å²	98.3	42%	0.415	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.2	112.4	165.7	-58.8	177.2	0	0	0	106.4	V511	I155-V511 HydrophobicContact CD1-CG2 4.14Å
156	V	31.4	Very low	32.5	Very low	61 Å²	61	100 Å²	100	37%	0.37	58%	0.575	S	S	.	*			trans	-93.7	117.4	176.5	-177.8	0	0	0	0	108.8	L62 L121 V154	L62-V156 HydrophobicContact CD1-CG2 3.83Å; L121-V156 HydrophobicContact CD2-CG1 4.4Å; V154-V156 HydrophobicContact CG1-CG2 3.91Å
157	A	29.3	Very low	32.2	Very low	73 Å²	73	96.6 Å²	96.6	60%	0.603	58%	0.577	S	S	*	*			trans	-114.4	142	165.8	0	0	0	0	0	108.5	Q159	A157-Q159 PolarHBondContact O-N 2.96Å
158	S	26.4	Very low	31.7	Very low	115 Å²	115	99 Å²	99	80%	0.804	60%	0.596	S	S	*	*			trans	-66.9	126.5	-176.9	-167.5	0	0	0	0	111.6
159	Q	27.6	Very low	31.5	Very low	82 Å²	82	95.2 Å²	95.2	38%	0.383	60%	0.596	S	S	.	*			trans	-148.2	139.1	165.8	-69.6	-148.2	-72.2	0	0	110.4	A157 E504 P506	A157-Q159 PolarHBondContact O-N 2.96Å; Q159-E504 PolarHBondContact NE2-O 3.07Å; Q159-P506 HydrophobicContact CG-CB 3.97Å; Q159-P506 VanDerWaalsContact NE2-N 3.13Å
160	D	29	Very low	31	Very low	74 Å²	74	94.6 Å²	94.6	40%	0.396	59%	0.587	S	S	.	*			trans	-120.1	131.5	177.1	-69.9	-54.3	0	0	0	110.8
161	F	27.3	Very low	30	Very low	123 Å²	123	101.8 Å²	101.8	54%	0.539	59%	0.592	S	S	.	*			trans	-141.7	139.2	163.9	-98.1	-79.6	0	0	0	110.2	N502	F161-N502 WeakPolarHBondContact CE1-O 3.49Å; F161-N502 WeakPolarHBondContact CZ-O 3.4Å
162	P	29.8	Very low	29.2	Very low	103 Å²	103	102 Å²	102	67%	0.669	60%	0.6	S	S	*	*			trans	-100.5	144.7	-170.4	36.6	-33.4	0	0	0	114.4
163	N	28.9	Very low	28.5	Very low	152 Å²	152	107.3 Å²	107.3	81%	0.813	63%	0.628	S	S	*	*				172.2	142.6	120	-92.4	-42.7	0	0	0	116.1
164	S	27.8	Very low	27.8	Very low	123 Å²	123	110.7 Å²	110.7	86%	0.86	65%	0.654	S	S	*	*			trans	70.4	133.1	156.6	73.3	0	0	0	0	120.1
165	G	27.3	Very low	27.2	Very low	71 Å²	71	118.9 Å²	118.9	73%	0.732	68%	0.68	S	S	*	*			trans	158.8	9.6	161.3	0	0	0	0	0	124.7
166	V	23.8	Very low	26.9	Very low	140 Å²	140	123.2 Å²	123.2	85%	0.848	70%	0.699	S	S	*	*			trans	41.2	137.2	157.6	-149.3	0	0	0	0	121.9
167	V	26.5	Very low	26.8	Very low	134 Å²	134	128 Å²	128	81%	0.812	72%	0.722	S	S	*	*			trans	110.3	111.5	152.6	-172.1	0	0	0	0	118
168	S	23.7	Very low	26.9	Very low	106 Å²	106	129.7 Å²	129.7	74%	0.741	73%	0.727	S	S	*	*			trans	-100.2	-166.5	165.3	-36.9	0	0	0	0	110.2
169	P	29.6	Very low	27	Very low	111 Å²	111	129.6 Å²	129.6	72%	0.721	73%	0.727	S	S	*	*			cis	-147.9	-172.7	5.1	30.5	-3	0	0	0	118.1
170	Q	25.8	Very low	27.1	Very low	157 Å²	157	133.4 Å²	133.4	73%	0.734	75%	0.75	S	S	*	*			trans	111.2	118.3	143.4	-58.7	-150.5	-3.9	0	0	121.6
171	R	23.9	Very low	27.1	Very low	224 Å²	224	137.5 Å²	137.5	85%	0.845	77%	0.771	S	S	*	*			trans	50.3	156.4	131.9	-77.4	-176.2	165.5	163.6	-6.3	120.7
172	S	25.3	Very low	27.2	Very low	85 Å²	85	135 Å²	135	59%	0.594	78%	0.781	S	S	*	*			cis	-169	161.5	-17.5	50.3	0	0	0	0	105
173	D	27.1	Very low	27.1	Very low	151 Å²	151	137.7 Å²	137.7	81%	0.807	79%	0.788	S	S	*	*				-173.3	176.3	54.1	-88.8	-61.3	0	0	0	110.7
174	S	22.8	Very low	27.1	Very low	99 Å²	99	139.1 Å²	139.1	69%	0.692	79%	0.79	S	S	*	*			trans	-78	160.8	-174.1	54.1	0	0	0	0	117.9
175	Y	26.3	Very low	27.6	Very low	232 Å²	232	138.4 Å²	138.4	91%	0.91	78%	0.776	S	S	*	*			trans	-158.2	139	133.6	-127.5	-84.8	0	0	0	113.1
176	E	25.6	Very low	28	Very low	171 Å²	171	139.8 Å²	139.8	80%	0.799	77%	0.766	S	S	*	*			trans	-108.2	155.2	179.3	-58.8	174.2	129.6	0	0	111.3
177	D	28.3	Very low	28.7	Very low	161 Å²	161	136.7 Å²	136.7	86%	0.861	76%	0.756	S	S	*	*				-176.5	153.2	114.7	-125.3	-3.1	0	0	0	112.7
178	P	31.1	Very low	29.8	Very low	110 Å²	110	136.8 Å²	136.8	71%	0.714	75%	0.751	S	S	*	*			trans	-115.9	162.7	-173.8	41.4	-32	0	0	0	115.2
179	S	29	Very low	31.2	Very low	113 Å²	113	135.3 Å²	135.3	79%	0.79	74%	0.737	S	S	*	*			trans	-173.3	115.9	146.4	60.3	0	0	0	0	113
180	D	30.3	Very low	32.3	Very low	161 Å²	161	131.9 Å²	131.9	86%	0.861	71%	0.712	S	S	*	*				-160.2	148.5	123.2	-143.3	-18.7	0	0	0	111.7
181	N	28.6	Very low	33.5	Very low	160 Å²	160	132.5 Å²	132.5	86%	0.856	71%	0.713	S	S	*	*			trans	-99.3	123.1	-164.9	-70	-76.7	0	0	0	113.1
182	G	29.7	Very low	35.2	Very low	71 Å²	71	125.9 Å²	125.9	73%	0.732	70%	0.697	S	S	*	*			trans	-148.1	71.1	-178.9	0	0	0	0	0	114.7	Q184	G182-Q184 PolarHBondContact O-N 2.8Å
183	L	27.8	Very low	37.2	Very low	159 Å²	159	126.3 Å²	126.3	83%	0.832	69%	0.692	S	S	*	*			trans	31.9	65.3	163.3	-144.8	87.4	0	0	0	117.3	I185	L183-I185 PolarHBondContact O-N 2.84Å; L183-I185 VanDerWaalsContact O-N 3.15Å
184	Q	29.1	Very low	38.6	Very low	183 Å²	183	121.3 Å²	121.3	86%	0.855	67%	0.668	S	S	*	*			trans	-67.9	110.5	166.5	-78.1	-178.9	-21.3	0	0	110.1	G182	G182-Q184 PolarHBondContact O-N 2.8Å
185	I	37.5	Very low	40.6	Very low	108 Å²	108	118.5 Å²	118.5	55%	0.554	66%	0.655	S	S	*	*			trans	-90.4	104.6	163	-56.1	178.2	0	0	0	106.6	L183 A187 I190	L183-I185 PolarHBondContact O-N 2.84Å; L183-I185 VanDerWaalsContact O-N 3.15Å; I185-A187 PolarHBondContact O-N 2.82Å; I185-I190 HydrophobicContact CB-CD1 4.42Å; I185-I190 HydrophobicContact CG2-CD1 3.82Å; I185-I190 HydrophobicContact CG2-CG1 3.65Å
186	D	35.5	Very low	42.8	Very low	100 Å²	100	112.3 Å²	112.3	54%	0.535	64%	0.637	S	S	.	*			trans	-54.2	132.4	-179.5	-70.5	-26.9	0	0	0	111.8	L188 T189 I190	D186-L188 PolarHBondContact O-N 3.23Å; D186-T189 WeakPolarHBondContact O-CB 3.11Å; D186-T189 PolarHBondContact O-N 3.28Å; D186-I190 PolarHBondContact O-N 3.49Å
187	A	38.5	Very low	44.9	Very low	75 Å²	75	109.1 Å²	109.1	62%	0.62	62%	0.624	S	S	*	*	H	α-helix	trans	-53.7	-30.3	177.9	0	0	0	0	0	112.4	I185 I190 F191	I185-A187 PolarHBondContact O-N 2.82Å; A187-I190 PolarHBondContact O-N 3.47Å; A187-F191 WeakPolarHBondContact O-CB 3.44Å; A187-F191 PolarHBondContact O-N 3.43Å
188	L	49.7	Very low	46.9	Very low	136 Å²	136	106.6 Å²	106.6	71%	0.712	61%	0.611	S	S	*	*	H	α-helix	trans	-61.7	-44.5	175.1	-161.3	78.7	0	0	0	112.4	D186 I190 F191 V192	D186-L188 PolarHBondContact O-N 3.23Å; L188-I190 VanDerWaalsContact C-N 3.33Å; L188-I190 PolarHBondContact O-N 3.31Å; L188-F191 WeakPolarHBondContact O-CB 3.27Å; L188-F191 PolarHBondContact O-N 2.81Å; L188-V192 WeakPolarHBondContact O-CG2 3.35Å; L188-V192 PolarHBondContact O-N 2.98Å
189	T	53.2	Low	48.8	Very low	74 Å²	74	104.9 Å²	104.9	45%	0.454	60%	0.601	S	S	.	*	H	α-helix	trans	-65	-40	179.9	-57.1	0	0	0	0	110.9	D186 V192 I193	D186-T189 WeakPolarHBondContact O-CB 3.11Å; D186-T189 PolarHBondContact O-N 3.28Å; T189-V192 PolarHBondContact O-N 3.1Å; T189-I193 HydrophobicContact CG2-CD1 4.29Å; T189-I193 WeakPolarHBondContact O-CG1 3.47Å; T189-I193 PolarHBondContact O-N 3.09Å; T189-I193 VanDerWaalsContact O-N 3.12Å
190	I	54.3	Low	50.9	Low	39 Å²	39	102.6 Å²	102.6	20%	0.2	58%	0.583	C	S	.	*	H	α-helix	trans	-66	-42.3	174.4	-52.8	-177.9	0	0	0	110.3	F24 I185 D186 A187 L188 V192 I193 C194	F24-I190 HydrophobicContact CE2-CG2 4.22Å; F24-I190 HydrophobicContact CZ-CD1 3.88Å; F24-I190 HydrophobicContact CZ-CG2 3.8Å; I185-I190 HydrophobicContact CB-CD1 4.42Å; I185-I190 HydrophobicContact CG2-CD1 3.82Å; I185-I190 HydrophobicContact CG2-CG1 3.65Å; D186-I190 PolarHBondContact O-N 3.49Å; A187-I190 PolarHBondContact O-N 3.47Å; L188-I190 VanDerWaalsContact C-N 3.33Å; L188-I190 PolarHBondContact O-N 3.31Å; I190-V192 VanDerWaalsContact C-N 3.31Å; I190-V192 PolarHBondContact O-N 3.45Å; I190-I193 PolarHBondContact O-N 2.8Å; I190-C194 WeakPolarHBondContact O-CB 3.4Å; I190-C194 PolarHBondContact O-N 3.27Å; I190-C194 PolarHBondContact O-SG 3.42Å; I190-C194 VanDerWaalsContact O-SG 3.4Å
191	F	50.3	Low	52.8	Low	170 Å²	170	97.2 Å²	97.2	75%	0.746	56%	0.555	S	S	*	*	H	α-helix	trans	-57.6	-41.6	176.3	-132.6	-87.1	0	0	0	112.5	A187 L188 G195	A187-F191 WeakPolarHBondContact O-CB 3.44Å; A187-F191 PolarHBondContact O-N 3.43Å; L188-F191 WeakPolarHBondContact O-CB 3.27Å; L188-F191 PolarHBondContact O-N 2.81Å; F191-G195 PolarHBondContact O-N 3.29Å
192	V	59.9	Low	54.7	Low	86 Å²	86	92.5 Å²	92.5	52%	0.521	53%	0.534	S	S	.	.	H	α-helix	trans	-64.8	-46.3	176	171.8	0	0	0	0	111.4	L188 T189 I190 C194 G195 I196	L188-V192 WeakPolarHBondContact O-CG2 3.35Å; L188-V192 PolarHBondContact O-N 2.98Å; T189-V192 PolarHBondContact O-N 3.1Å; I190-V192 VanDerWaalsContact C-N 3.31Å; I190-V192 PolarHBondContact O-N 3.45Å; V192-C194 PolarHBondContact O-N 3.21Å; V192-G195 PolarHBondContact O-N 3.44Å; V192-I196 HydrophobicContact CG1-CD1 3.97Å; V192-I196 WeakPolarHBondContact O-CG1 3.29Å; V192-I196 PolarHBondContact O-N 3.4Å
193	I	67.4	Low	56.8	Low	94 Å²	94	92.4 Å²	92.4	48%	0.482	52%	0.52	S	S	.	.	H	α-helix	trans	-62.6	-43.7	178	-66.6	167.2	0	0	0	110.8	T189 I190 G195 I196 L197	T189-I193 HydrophobicContact CG2-CD1 4.29Å; T189-I193 WeakPolarHBondContact O-CG1 3.47Å; T189-I193 PolarHBondContact O-N 3.09Å; T189-I193 VanDerWaalsContact O-N 3.12Å; I190-I193 PolarHBondContact O-N 2.8Å; I193-G195 PolarHBondContact O-N 2.78Å; I193-I196 PolarHBondContact O-N 2.69Å; I193-L197 HydrophobicContact CG2-CD1 4.07Å; I193-L197 WeakPolarHBondContact O-CG 3.46Å; I193-L197 PolarHBondContact O-N 2.93Å
194	C	56.6	Low	59	Low	45 Å²	45	89 Å²	89	30%	0.304	51%	0.505	S	S	.	.	H	α-helix	trans	-62.7	-39.6	174.4	-72	0	0	0	0	112.5	I190 V192 L197 L198	I190-C194 WeakPolarHBondContact O-CB 3.4Å; I190-C194 PolarHBondContact O-N 3.27Å; I190-C194 PolarHBondContact O-SG 3.42Å; I190-C194 VanDerWaalsContact O-SG 3.4Å; V192-C194 PolarHBondContact O-N 3.21Å; C194-L197 PolarHBondContact O-N 3.23Å; C194-L198 WeakPolarHBondContact O-CB 3.38Å; C194-L198 PolarHBondContact O-N 3.27Å
195	G	63.8	Low	60.9	Low	41 Å²	41	83 Å²	83	42%	0.423	48%	0.479	S	S	.	.	H	α-helix	trans	-62.1	-41.3	175.1	0	0	0	0	0	112.9	F191 V192 I193 S199	F191-G195 PolarHBondContact O-N 3.29Å; V192-G195 PolarHBondContact O-N 3.44Å; I193-G195 PolarHBondContact O-N 2.78Å; G195-S199 WeakPolarHBondContact O-CB 3.5Å; G195-S199 PolarHBondContact O-N 2.74Å
196	I	73.2	Confident	62.3	Low	102 Å²	102	83 Å²	83	52%	0.523	48%	0.479	S	S	.	.	H	α-helix	trans	-66.9	-42.5	175.6	-66.3	165.1	0	0	0	111.1	V192 I193 S199 T200	V192-I196 HydrophobicContact CG1-CD1 3.97Å; V192-I196 WeakPolarHBondContact O-CG1 3.29Å; V192-I196 PolarHBondContact O-N 3.4Å; I193-I196 PolarHBondContact O-N 2.69Å; I196-S199 PolarHBondContact O-N 3.03Å; I196-T200 WeakPolarHBondContact O-CB 3.39Å; I196-T200 WeakPolarHBondContact O-CG2 3.13Å; I196-T200 PolarHBondContact O-N 3.07Å; I196-T200 PolarHBondContact O-OG1 3.27Å
197	L	68.8	Low	64.1	Low	103 Å²	103	83.1 Å²	83.1	54%	0.539	48%	0.479	S	S	.	.	H	α-helix	trans	-65.2	-42.6	176.5	-74.3	169.4	0	0	0	112.2	I193 C194 T200 V201	I193-L197 HydrophobicContact CG2-CD1 4.07Å; I193-L197 WeakPolarHBondContact O-CG 3.46Å; I193-L197 PolarHBondContact O-N 2.93Å; C194-L197 PolarHBondContact O-N 3.23Å; L197-T200 WeakPolarHBondContact CA-OG1 3.44Å; L197-T200 PolarHBondContact O-N 2.98Å; L197-T200 PolarHBondContact O-OG1 2.92Å; L197-V201 WeakPolarHBondContact O-CB 3.14Å; L197-V201 VanDerWaalsContact O-CG2 3.25Å; L197-V201 WeakPolarHBondContact O-CG2 3.27Å; L197-V201 PolarHBondContact O-N 3.22Å
198	L	69.5	Low	65.5	Low	109 Å²	109	83 Å²	83	57%	0.571	47%	0.47	S	S	*	.	H	α-helix	trans	-66.9	-42.6	176.7	-168.5	68	0	0	0	111.1	C194 T200 V201 C202	C194-L198 WeakPolarHBondContact O-CB 3.38Å; C194-L198 PolarHBondContact O-N 3.27Å; L198-T200 PolarHBondContact O-N 2.9Å; L198-V201 PolarHBondContact O-N 3.31Å; L198-C202 WeakPolarHBondContact O-CB 3.07Å; L198-C202 PolarHBondContact O-N 3.43Å; L198-C202 PolarHBondContact O-SG 3.21Å; L198-C202 VanDerWaalsContact O-SG 3.35Å
199	S	71.9	Confident	65.9	Low	73 Å²	73	80 Å²	80	51%	0.51	45%	0.452	S	S	.	.	H	α-helix	trans	-58.4	-47.4	175.4	-178	0	0	0	0	112.3	G195 I196 C202 T203	G195-S199 WeakPolarHBondContact O-CB 3.5Å; G195-S199 PolarHBondContact O-N 2.74Å; I196-S199 PolarHBondContact O-N 3.03Å; S199-C202 PolarHBondContact O-N 3.38Å; S199-T203 PolarHBondContact O-N 3.17Å; S199-T203 PolarHBondContact O-OG1 2.82Å
200	T	73.8	Confident	66.5	Low	66 Å²	66	81.7 Å²	81.7	41%	0.405	47%	0.465	S	S	.	.	H	α-helix	trans	-66.2	-40.8	178.9	47	0	0	0	0	112.3	I196 L197 L198 T203 V204	I196-T200 WeakPolarHBondContact O-CB 3.39Å; I196-T200 WeakPolarHBondContact O-CG2 3.13Å; I196-T200 PolarHBondContact O-N 3.07Å; I196-T200 PolarHBondContact O-OG1 3.27Å; L197-T200 WeakPolarHBondContact CA-OG1 3.44Å; L197-T200 PolarHBondContact O-N 2.98Å; L197-T200 PolarHBondContact O-OG1 2.92Å; L198-T200 PolarHBondContact O-N 2.9Å; T200-T203 VanDerWaalsContact CA-OG1 3.3Å; T200-T203 WeakPolarHBondContact CA-OG1 3.31Å; T200-T203 PolarHBondContact O-N 2.68Å; T200-T203 PolarHBondContact O-OG1 3.07Å; T200-V204 WeakPolarHBondContact O-CG2 3.46Å; T200-V204 PolarHBondContact O-N 3.15Å
201	V	69.7	Low	67.1	Low	47 Å²	47	86.2 Å²	86.2	29%	0.285	49%	0.489	S	S	.	.	H	α-helix	trans	-62.1	-44.9	172.9	170.1	0	0	0	0	111.2	M13 L197 L198 T203 V204 I205	M13-V201 HydrophobicContact CE-CB 4.29Å; M13-V201 HydrophobicContact CE-CG1 3.72Å; M13-V201 HydrophobicContact CE-CG2 3.54Å; L197-V201 WeakPolarHBondContact O-CB 3.14Å; L197-V201 VanDerWaalsContact O-CG2 3.25Å; L197-V201 WeakPolarHBondContact O-CG2 3.27Å; L197-V201 PolarHBondContact O-N 3.22Å; L198-V201 PolarHBondContact O-N 3.31Å; V201-T203 PolarHBondContact O-N 3.27Å; V201-V204 PolarHBondContact O-N 3.24Å; V201-I205 HydrophobicContact CG1-CD1 3.87Å; V201-I205 WeakPolarHBondContact O-CG1 3.43Å; V201-I205 PolarHBondContact O-N 2.92Å
202	C	68.5	Low	66.8	Low	61 Å²	61	79.7 Å²	79.7	41%	0.412	47%	0.465	S	S	.	.	H	α-helix	trans	-61.9	-39.6	174.9	-74.5	0	0	0	0	112.4	L198 S199 I205 L206	L198-C202 WeakPolarHBondContact O-CB 3.07Å; L198-C202 PolarHBondContact O-N 3.43Å; L198-C202 PolarHBondContact O-SG 3.21Å; L198-C202 VanDerWaalsContact O-SG 3.35Å; S199-C202 PolarHBondContact O-N 3.38Å; C202-I205 PolarHBondContact O-N 3.46Å; C202-L206 WeakPolarHBondContact O-CB 3.39Å; C202-L206 VanDerWaalsContact O-CG 3.29Å; C202-L206 WeakPolarHBondContact O-CG 3.32Å; C202-L206 PolarHBondContact O-N 3.47Å
203	T	73.4	Confident	66.1	Low	70 Å²	70	80.6 Å²	80.6	43%	0.429	47%	0.472	S	S	.	.	H	α-helix	trans	-67.4	-38.3	175.5	14.1	0	0	0	0	112.2	S199 T200 V201 L206 L207	S199-T203 PolarHBondContact O-N 3.17Å; S199-T203 PolarHBondContact O-OG1 2.82Å; T200-T203 VanDerWaalsContact CA-OG1 3.3Å; T200-T203 WeakPolarHBondContact CA-OG1 3.31Å; T200-T203 PolarHBondContact O-N 2.68Å; T200-T203 PolarHBondContact O-OG1 3.07Å; V201-T203 PolarHBondContact O-N 3.27Å; T203-L206 PolarHBondContact O-N 3.34Å; T203-L207 WeakPolarHBondContact O-CB 3.3Å; T203-L207 WeakPolarHBondContact O-CG 3.3Å; T203-L207 PolarHBondContact O-N 2.88Å
204	V	74	Confident	65.2	Low	87 Å²	87	87.2 Å²	87.2	53%	0.527	49%	0.491	S	S	.	.	H	α-helix	trans	-65	-43.1	174.4	171.6	0	0	0	0	111.2	T200 V201 L207 V208	T200-V204 WeakPolarHBondContact O-CG2 3.46Å; T200-V204 PolarHBondContact O-N 3.15Å; V201-V204 PolarHBondContact O-N 3.24Å; V204-L207 PolarHBondContact O-N 3.49Å; V204-V208 VanDerWaalsContact O-CG2 3.31Å; V204-V208 WeakPolarHBondContact O-CG2 3.44Å; V204-V208 PolarHBondContact O-N 3.22Å
205	I	68.3	Low	64.7	Low	58 Å²	58	90.8 Å²	90.8	30%	0.297	50%	0.499	S	S	.	.	H	α-helix	trans	-62.3	-45.5	175.6	-69.3	168.4	0	0	0	110.7	Y6 V201 C202 V208 F209	Y6-I205 HydrophobicContact CE2-CG2 4.35Å; V201-I205 HydrophobicContact CG1-CD1 3.87Å; V201-I205 WeakPolarHBondContact O-CG1 3.43Å; V201-I205 PolarHBondContact O-N 2.92Å; C202-I205 PolarHBondContact O-N 3.46Å; I205-V208 PolarHBondContact O-N 2.75Å; I205-F209 HydrophobicContact CG2-CD2 4.06Å; I205-F209 HydrophobicContact CG2-CE2 4.34Å; I205-F209 PolarHBondContact O-N 3.13Å
206	L	68.3	Low	63.4	Low	108 Å²	108	97.9 Å²	97.9	57%	0.565	52%	0.518	S	S	*	.	H	α-helix	trans	-61.9	-43.4	176.1	-74.8	169	0	0	0	111.9	C202 T203 V208 F209 C210	C202-L206 WeakPolarHBondContact O-CB 3.39Å; C202-L206 VanDerWaalsContact O-CG 3.29Å; C202-L206 WeakPolarHBondContact O-CG 3.32Å; C202-L206 PolarHBondContact O-N 3.47Å; T203-L206 PolarHBondContact O-N 3.34Å; L206-V208 PolarHBondContact O-N 3.41Å; L206-F209 PolarHBondContact O-N 3.15Å; L206-C210 WeakPolarHBondContact O-CB 3.41Å; L206-C210 PolarHBondContact O-N 3.45Å; L206-C210 PolarHBondContact O-SG 3.05Å
207	L	71.8	Confident	61.5	Low	102 Å²	102	102.9 Å²	102.9	53%	0.534	54%	0.536	S	S	.	.	H	α-helix	trans	-61	-43.2	174.4	-81.3	164.6	0	0	0	111.9	T203 V204 F209 C210 L211	T203-L207 WeakPolarHBondContact O-CB 3.3Å; T203-L207 WeakPolarHBondContact O-CG 3.3Å; T203-L207 PolarHBondContact O-N 2.88Å; V204-L207 PolarHBondContact O-N 3.49Å; L207-F209 VanDerWaalsContact C-N 3.33Å; L207-F209 PolarHBondContact O-N 2.8Å; L207-C210 PolarHBondContact O-N 2.79Å; L207-L211 WeakPolarHBondContact O-CB 3.46Å; L207-L211 WeakPolarHBondContact O-CG 3.23Å; L207-L211 PolarHBondContact O-N 3.16Å
208	V	69.1	Low	59.7	Low	72 Å²	72	103 Å²	103	44%	0.436	54%	0.541	S	S	.	.	H	α-helix	trans	-63.3	-38.1	175.7	170	0	0	0	0	111.5	V204 I205 L206 S212	V204-V208 VanDerWaalsContact O-CG2 3.31Å; V204-V208 WeakPolarHBondContact O-CG2 3.44Å; V204-V208 PolarHBondContact O-N 3.22Å; I205-V208 PolarHBondContact O-N 2.75Å; L206-V208 PolarHBondContact O-N 3.41Å; V208-S212 VanDerWaalsContact O-CB 3.3Å; V208-S212 WeakPolarHBondContact O-CB 3.36Å; V208-S212 PolarHBondContact O-N 2.93Å; V208-S212 VanDerWaalsContact O-N 3.15Å
209	F	58.8	Low	57.5	Low	73 Å²	73	105.4 Å²	105.4	32%	0.32	54%	0.542	S	S	.	.	H	α-helix	trans	-68.2	-45	173.5	-97.4	-83.2	0	0	0	112.9	Y6 I205 L206 L207 S212 Y215	Y6-F209 AromaticContact CE2-CE2 3.76Å; Y6-F209 HydrophobicContact CE2-CE2 3.76Å; Y6-F209 AromaticContact CZ-CE2 3.78Å; I205-F209 HydrophobicContact CG2-CD2 4.06Å; I205-F209 HydrophobicContact CG2-CE2 4.34Å; I205-F209 PolarHBondContact O-N 3.13Å; L206-F209 PolarHBondContact O-N 3.15Å; L207-F209 VanDerWaalsContact C-N 3.33Å; L207-F209 PolarHBondContact O-N 2.8Å; F209-S212 PolarHBondContact O-N 3.35Å; F209-Y215 HydrophobicContact CD1-CD2 4.25Å; F209-Y215 HydrophobicContact CD1-CE2 4.25Å; F209-Y215 HydrophobicContact CD1-CG 4.47Å; F209-Y215 HydrophobicContact CE1-CD1 4.42Å; F209-Y215 HydrophobicContact CE1-CD2 4.28Å; F209-Y215 HydrophobicContact CE1-CE1 4.01Å; F209-Y215 AromaticContact CE1-CE2 3.86Å; F209-Y215 HydrophobicContact CE1-CE2 3.86Å; F209-Y215 AromaticContact CE1-CZ 3.71Å
210	C	64.3	Low	55.3	Low	109 Å²	109	109 Å²	109	74%	0.736	55%	0.553	S	S	*	*	H	α-helix	trans	-67.6	-33.4	179.2	-71.2	0	0	0	0	113.1	L206 L207	L206-C210 WeakPolarHBondContact O-CB 3.41Å; L206-C210 PolarHBondContact O-N 3.45Å; L206-C210 PolarHBondContact O-SG 3.05Å; L207-C210 PolarHBondContact O-N 2.79Å
211	L	67	Low	52.9	Low	134 Å²	134	115.1 Å²	115.1	70%	0.702	57%	0.569	S	S	*	*	H	α-helix	trans	-85.3	-16.4	179.5	-67	169.8	0	0	0	113.3	L207 P213	L207-L211 WeakPolarHBondContact O-CB 3.46Å; L207-L211 WeakPolarHBondContact O-CG 3.23Å; L207-L211 PolarHBondContact O-N 3.16Å; L211-P213 WeakPolarHBondContact O-CD 2.92Å
212	S	45.4	Very low	50.8	Low	34 Å²	34	120.4 Å²	120.4	24%	0.238	59%	0.588	C	S	.	*			trans	-69.7	111.9	-178.8	-176.7	0	0	0	0	111.9	V208 F209 R214 Y215	V208-S212 VanDerWaalsContact O-CB 3.3Å; V208-S212 WeakPolarHBondContact O-CB 3.36Å; V208-S212 PolarHBondContact O-N 2.93Å; V208-S212 VanDerWaalsContact O-N 3.15Å; F209-S212 PolarHBondContact O-N 3.35Å; S212-R214 PolarHBondContact O-N 3.44Å; S212-Y215 PolarHBondContact O-N 2.73Å
213	P	45.3	Very low	48.7	Very low	104 Å²	104	126.5 Å²	126.5	68%	0.675	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-66.1	-11.6	-173.8	-21.8	34.8	0	0	0	114.3	L211	L211-P213 WeakPolarHBondContact O-CD 2.92Å
214	R	47.8	Very low	46.3	Very low	234 Å²	234	129.7 Å²	129.7	88%	0.883	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-89.5	-10.2	-172.4	-71.1	-174.1	174.4	-179.3	-1.7	115	S212	S212-R214 PolarHBondContact O-N 3.44Å
215	Y	44.9	Very low	43.9	Very low	119 Å²	119	129.3 Å²	129.3	47%	0.467	63%	0.628	S	S	.	*	G	3₁₀ helix	trans	-88.3	2.9	179.5	-83.8	-83.1	0	0	0	115.2	F209 S212 K217 V218	F209-Y215 HydrophobicContact CD1-CD2 4.25Å; F209-Y215 HydrophobicContact CD1-CE2 4.25Å; F209-Y215 HydrophobicContact CD1-CG 4.47Å; F209-Y215 HydrophobicContact CE1-CD1 4.42Å; F209-Y215 HydrophobicContact CE1-CD2 4.28Å; F209-Y215 HydrophobicContact CE1-CE1 4.01Å; F209-Y215 AromaticContact CE1-CE2 3.86Å; F209-Y215 HydrophobicContact CE1-CE2 3.86Å; F209-Y215 AromaticContact CE1-CZ 3.71Å; S212-Y215 PolarHBondContact O-N 2.73Å; Y215-K217 PolarHBondContact O-N 3.38Å; Y215-V218 PolarHBondContact O-N 3.22Å
216	K	37.1	Very low	41.9	Very low	190 Å²	190	131 Å²	131	83%	0.826	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	16.6	-177.7	-72.1	-170.9	172.4	-175.1	0	117.2
217	K	33.4	Very low	39.7	Very low	207 Å²	207	134.2 Å²	134.2	90%	0.9	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133	-0.6	179.1	-92.6	-170.7	174.3	-175.4	0	116.3	Y215	Y215-K217 PolarHBondContact O-N 3.38Å
218	V	30.9	Very low	37.6	Very low	106 Å²	106	137.1 Å²	137.1	64%	0.642	67%	0.672	S	S	*	*			trans	-95.4	117.1	174.8	-177.5	0	0	0	0	109.7	Y215 M220	Y215-V218 PolarHBondContact O-N 3.22Å; V218-M220 PolarHBondContact O-N 2.66Å
219	R	23.6	Very low	35.4	Very low	159 Å²	159	139.5 Å²	139.5	60%	0.6	69%	0.689	S	S	*	*			trans	-70.8	95	169.6	-83.6	-169.6	173.6	115.3	-1.9	110	R221 Q237 N238 S239	R219-R221 PolarHBondContact O-N 2.88Å; R219-Q237 PolarHBondContact NH2-O 3.46Å; R219-N238 VanDerWaalsContact NH1-C 3.33Å; R219-N238 PolarHBondContact NH1-O 3.12Å; R219-N238 PolarHBondContact NH2-O 3.49Å; R219-S239 PolarHBondContact NH1-O 2.89Å
220	M	25.2	Very low	33.9	Very low	149 Å²	149	141.5 Å²	141.5	73%	0.734	71%	0.712	S	S	*	*			trans	-72.3	111.7	155.4	-78.8	-178.2	167.9	0	0	108.9	V218 F222	V218-M220 PolarHBondContact O-N 2.66Å; M220-F222 HydrophobicContact CB-CD2 4.25Å; M220-F222 HydrophobicContact SD-CD2 4.31Å; M220-F222 HydrophobicContact SD-CE2 3.74Å
221	R	24	Very low	32	Very low	195 Å²	195	142.2 Å²	142.2	74%	0.736	72%	0.715	S	S	*	*			trans	-92.6	89.7	155.7	-84.1	-177.5	166.1	176.5	-6.9	107.6	R219	R219-R221 PolarHBondContact O-N 2.88Å
222	F	25	Very low	30.1	Very low	158 Å²	158	141.2 Å²	141.2	69%	0.693	72%	0.719	S	S	*	*			trans	-66.8	130.1	157.6	-90.6	-88.5	0	0	0	108.2	M220 L224	M220-F222 HydrophobicContact CB-CD2 4.25Å; M220-F222 HydrophobicContact SD-CD2 4.31Å; M220-F222 HydrophobicContact SD-CE2 3.74Å; F222-L224 HydrophobicContact CD1-CD1 4.02Å
223	F	24.3	Very low	29.2	Very low	189 Å²	189	144.9 Å²	144.9	83%	0.829	75%	0.745	S	S	*	*			trans	-115.4	90.6	158.6	-117.4	-86.7	0	0	0	107.3	A225	F223-A225 HydrophobicContact CD1-CB 4.4Å
224	L	23.6	Very low	28.3	Very low	137 Å²	137	147.2 Å²	147.2	72%	0.717	75%	0.747	S	S	*	*			trans	-80.5	116.6	151.6	-90	101.5	0	0	0	106.9	F222	F222-L224 HydrophobicContact CD1-CD1 4.02Å
225	A	24.4	Very low	27.3	Very low	79 Å²	79	144.6 Å²	144.6	65%	0.653	74%	0.738	S	S	*	*			trans	-140.3	93.1	158.4	0	0	0	0	0	105	F223	F223-A225 HydrophobicContact CD1-CB 4.4Å
226	C	25.2	Very low	26.5	Very low	92 Å²	92	146.7 Å²	146.7	62%	0.622	75%	0.75	S	S	*	*				58.9	72.3	67.8	-54.9	0	0	0	0	112.4	H228	C226-H228 PolarHBondContact O-N 3.24Å
227	N	22.7	Very low	25.9	Very low	176 Å²	176	142 Å²	142	94%	0.941	73%	0.731	S	S	*	*	S	Bend	trans	-73.1	71.9	139.1	-97.9	-20.2	0	0	0	108.8
228	H	26.5	Very low	25.7	Very low	163 Å²	163	136.6 Å²	136.6	76%	0.755	71%	0.712	S	S	*	*	S	Bend	trans	-151.8	123.4	157	-128.7	-78.8	0	0	0	107.9	C226 S230	C226-H228 PolarHBondContact O-N 3.24Å; H228-S230 PolarHBondContact O-N 3.26Å
229	P	24.1	Very low	25.6	Very low	123 Å²	123	135.5 Å²	135.5	80%	0.799	71%	0.709	S	S	*	*			trans	-81.9	119.9	-170.4	30.4	-34.1	0	0	0	112.2
230	S	27.3	Very low	25.7	Very low	114 Å²	114	135.1 Å²	135.1	80%	0.797	72%	0.718	S	S	*	*			trans	-158.4	148.5	148.1	64.3	0	0	0	0	111.5	H228	H228-S230 PolarHBondContact O-N 3.26Å
231	P	23.7	Very low	25.8	Very low	124 Å²	124	134.5 Å²	134.5	81%	0.805	72%	0.718	S	S	*	*			trans	-109.7	131.3	-167.5	36.7	-28.5	0	0	0	115
232	S	27.5	Very low	26.2	Very low	114 Å²	114	129.1 Å²	129.1	80%	0.797	71%	0.71	S	S	*	*			trans	175.1	123.3	141.1	54.9	0	0	0	0	115.3
233	S	27.2	Very low	26.3	Very low	110 Å²	110	132.7 Å²	132.7	77%	0.769	72%	0.719	S	S	*	*			trans	61	136.5	132.4	-164.8	0	0	0	0	121.7
234	Q	25.6	Very low	26.6	Very low	154 Å²	154	129.2 Å²	129.2	72%	0.72	71%	0.713	S	S	*	*			cis	-178.3	161.5	-16.3	-142.3	172.5	20.9	0	0	110.7
235	Y	27.8	Very low	26.7	Very low	179 Å²	179	131.4 Å²	131.4	70%	0.702	72%	0.719	S	S	*	*			trans	67.8	113.3	166.6	-74.3	-85.2	0	0	0	120.9
236	F	26.5	Very low	26.9	Very low	162 Å²	162	131.3 Å²	131.3	71%	0.711	73%	0.726	S	S	*	*				90.1	155.1	78.2	-93.6	-133.1	0	0	0	116.1
237	Q	25.9	Very low	26.8	Very low	91 Å²	91	131 Å²	131	43%	0.425	73%	0.73	S	S	.	*			cis	-170.3	-178.8	-28.2	-141.7	-171	8.9	0	0	112.2	R219	R219-Q237 PolarHBondContact NH2-O 3.46Å
238	N	29.1	Very low	26.9	Very low	94 Å²	94	130.6 Å²	130.6	50%	0.503	73%	0.727	S	S	.	*			trans	83.1	114.1	144.5	-63.2	-15.6	0	0	0	129	R219	R219-N238 VanDerWaalsContact NH1-C 3.33Å; R219-N238 PolarHBondContact NH1-O 3.12Å; R219-N238 PolarHBondContact NH2-O 3.49Å
239	S	28.5	Very low	26.8	Very low	83 Å²	83	126.6 Å²	126.6	58%	0.58	72%	0.718	S	S	*	*			trans	81.5	129.1	142.7	-63.7	0	0	0	0	119.2	R219	R219-S239 PolarHBondContact NH1-O 2.89Å
240	L	26.6	Very low	26.8	Very low	151 Å²	151	128.2 Å²	128.2	79%	0.791	72%	0.718	S	S	*	*			cis	92.2	141.4	49.9	-78.7	161.7	0	0	0	111.1
241	D	27.1	Very low	26.6	Very low	136 Å²	136	128.1 Å²	128.1	73%	0.727	71%	0.712	S	S	*	*			cis	-165	175.7	3.8	-154	-9.6	0	0	0	112.9
242	S	31	Very low	26.7	Very low	82 Å²	82	129 Å²	129	57%	0.573	71%	0.71	S	S	*	*			trans	96.8	120.5	138.5	79.3	0	0	0	0	125.3
243	R	27.6	Very low	26.5	Very low	233 Å²	233	128 Å²	128	88%	0.879	70%	0.702	S	S	*	*			trans	74.2	151.7	133.5	-63.9	167.6	-165.7	-159.3	4.9	120.9
244	V	30.1	Very low	26.3	Very low	116 Å²	116	131.2 Å²	131.2	70%	0.703	70%	0.702	S	S	*	*			cis	-166.2	142	-8.9	132.5	0	0	0	0	111.7
245	H	26.3	Very low	26.4	Very low	183 Å²	183	132.3 Å²	132.3	85%	0.847	71%	0.707	S	S	*	*			trans	27.3	135	156.3	-67.5	-100.3	0	0	0	127.4
246	G	27.9	Very low	26.1	Very low	78 Å²	78	129.2 Å²	129.2	80%	0.804	71%	0.711	S	S	*	*				94.5	165.4	126.2	0	0	0	0	0	119.7
247	A	24.1	Very low	26.2	Very low	85 Å²	85	126.9 Å²	126.9	70%	0.702	71%	0.712	S	S	*	*			cis	-177.2	157.6	-34.9	0	0	0	0	0	109.5
248	L	25.3	Very low	26.1	Very low	167 Å²	167	132.1 Å²	132.1	87%	0.874	73%	0.733	S	S	*	*			trans	65.7	157.8	171.4	-65.8	115.3	0	0	0	117.3
249	S	23.1	Very low	26.2	Very low	80 Å²	80	133.8 Å²	133.8	56%	0.559	75%	0.752	S	S	*	*			cis	179.9	166.6	-22.8	57.6	0	0	0	0	110.6
250	I	24	Very low	26	Very low	156 Å²	156	134.9 Å²	134.9	80%	0.8	76%	0.759	S	S	*	*			trans	70.9	151	152.3	-75.6	163.3	0	0	0	116
251	V	23.9	Very low	26	Very low	112 Å²	112	132.5 Å²	132.5	68%	0.679	76%	0.755	S	S	*	*			cis	-169.6	-173.8	-30.9	117.7	0	0	0	0	106.6
252	D	25.4	Very low	25.9	Very low	143 Å²	143	136 Å²	136	77%	0.765	76%	0.764	S	S	*	*			trans	78.2	157.1	168.1	-67	-35.6	0	0	0	119.9
253	C	23.1	Very low	25.5	Very low	93 Å²	93	141.3 Å²	141.3	63%	0.628	78%	0.777	S	S	*	*			cis	-172.4	139.5	-41.6	-108.8	0	0	0	0	110
254	F	22.7	Very low	25.5	Very low	177 Å²	177	135.8 Å²	135.8	78%	0.776	77%	0.772	S	S	*	*			trans	58.5	145.2	152.4	-79	-94.8	0	0	0	125
255	H	28	Very low	25.3	Very low	178 Å²	178	135.4 Å²	135.4	82%	0.824	77%	0.774	S	S	*	*			trans	87.9	128.2	149.5	-72.9	-55.8	0	0	0	124.5
256	C	22.2	Very low	25.3	Very low	114 Å²	114	135.5 Å²	135.5	77%	0.77	77%	0.773	S	S	*	*			trans	-96.5	156.5	164.6	-155.6	0	0	0	0	107.7
257	P	28.8	Very low	25.1	Very low	113 Å²	113	138 Å²	138	73%	0.734	77%	0.772	S	S	*	*				-155.9	163	68.7	40.5	-18.5	0	0	0	119.9
258	K	23.1	Very low	25	Very low	201 Å²	201	137.8 Å²	137.8	87%	0.874	78%	0.779	S	S	*	*			trans	32.5	119.8	145.1	-61.7	178.5	178.8	179.5	0	121
259	S	30.5	Very low	24.8	Very low	129 Å²	129	133.5 Å²	133.5	90%	0.902	77%	0.774	S	S	*	*			trans	-152.5	169.4	136.3	71	0	0	0	0	111.4
260	S	25.2	Very low	24.9	Very low	105 Å²	105	134.8 Å²	134.8	73%	0.734	78%	0.783	S	S	*	*			trans	-117.9	172.5	-155.3	50.7	0	0	0	0	114.9
261	S	26.4	Very low	24.8	Very low	101 Å²	101	131.8 Å²	131.8	71%	0.706	77%	0.772	S	S	*	*			trans	70.7	108.6	163.4	67.5	0	0	0	0	119.4
262	F	26.3	Very low	24.6	Very low	209 Å²	209	132 Å²	132	92%	0.917	77%	0.768	S	S	*	*				-161.6	157.3	101.2	-119.7	-97.1	0	0	0	110.3
263	K	22	Very low	24.5	Very low	194 Å²	194	128.8 Å²	128.8	84%	0.843	75%	0.754	S	S	*	*			trans	-132.4	169.8	-169.7	-134	-170	-177.3	-179.2	0	109.4
264	P	28.2	Very low	24.4	Very low	117 Å²	117	132.9 Å²	132.9	76%	0.76	76%	0.758	S	S	*	*				-121.3	169.6	-91.3	40.4	-28.3	0	0	0	113.7
265	S	25.2	Very low	24.5	Very low	109 Å²	109	129.8 Å²	129.8	76%	0.762	76%	0.755	S	S	*	*			trans	-154.4	131.4	159.7	44.4	0	0	0	0	113.8
266	F	25.3	Very low	24.3	Very low	185 Å²	185	128.5 Å²	128.5	81%	0.811	76%	0.759	S	S	*	*			trans	54.6	111	152.3	-82	-98.9	0	0	0	122.4
267	T	23.8	Very low	24.5	Very low	130 Å²	130	132.3 Å²	132.3	80%	0.798	76%	0.763	S	S	*	*			trans	63.1	132.5	132	57.1	0	0	0	0	122.1
268	G	23	Very low	24.3	Very low	81 Å²	81	137.2 Å²	137.2	84%	0.835	77%	0.773	S	S	*	*			trans	113.3	120.1	156.1	0	0	0	0	0	113.9
269	G	21.6	Very low	24.5	Very low	76 Å²	76	132.2 Å²	132.2	78%	0.784	76%	0.763	S	S	*	*			trans	-90.4	152.1	176.7	0	0	0	0	0	113.4
270	S	24.8	Very low	24.2	Very low	107 Å²	107	131.2 Å²	131.2	75%	0.748	74%	0.744	S	S	*	*			trans	-176.7	104.1	158.7	-76.6	0	0	0	0	106.5
271	V	22	Very low	24.3	Very low	94 Å²	94	131.7 Å²	131.7	57%	0.57	74%	0.737	S	S	*	*				41.6	102.3	94.3	-171.9	0	0	0	0	112.7	T273 G684	V271-T273 WeakPolarHBondContact CG1-OG1 3.4Å; V271-G684 WeakPolarHBondContact CG1-O 3.49Å
272	I	19.8	Very low	24.3	Very low	116 Å²	116	129.4 Å²	129.4	60%	0.595	72%	0.721	S	S	*	*			trans	-100.5	91.1	173.2	-62	175.3	0	0	0	108.6	Y274 N683 G684	I272-Y274 HydrophobicContact CG2-CD2 3.77Å; I272-Y274 HydrophobicContact CG2-CE2 3.48Å; I272-Y274 VanDerWaalsContact CG2-CE2 3.48Å; I272-N683 CarbonylContact O-C 3.58Å; I272-G684 WeakPolarHBondContact O-CA 3.21Å; I272-G684 PolarHBondContact O-N 2.89Å
273	T	22.3	Very low	24.3	Very low	75 Å²	75	124 Å²	124	46%	0.46	71%	0.709	S	S	.	*	P	Polyproline II helix	trans	-92.6	120	173.2	-35.5	0	0	0	0	109.9	V271 N683 G684	V271-T273 WeakPolarHBondContact CG1-OG1 3.4Å; T273-N683 WeakPolarHBondContact CA-O 3.16Å; T273-N683 VanDerWaalsContact CG2-O 3.26Å; T273-N683 WeakPolarHBondContact CG2-O 3.49Å; T273-G684 PolarHBondContact OG1-O 2.72Å
274	Y	20.9	Very low	24.7	Very low	180 Å²	180	120.1 Å²	120.1	71%	0.706	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-97.4	131.1	171	-86.8	-78.6	0	0	0	110.8	I272	I272-Y274 HydrophobicContact CG2-CD2 3.77Å; I272-Y274 HydrophobicContact CG2-CE2 3.48Å; I272-Y274 VanDerWaalsContact CG2-CE2 3.48Å
275	P	24	Very low	24.8	Very low	112 Å²	112	120.8 Å²	120.8	73%	0.727	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-99	153.4	-166.5	37.5	-36.1	0	0	0	114.2
276	V	24.4	Very low	24.9	Very low	150 Å²	150	121.1 Å²	121.1	91%	0.909	68%	0.682	S	S	*	*			trans	-132	148.3	159.2	-174.9	0	0	0	0	109.3
277	K	26.6	Very low	25.2	Very low	195 Å²	195	115.2 Å²	115.2	85%	0.848	66%	0.664	S	S	*	*			trans	-84	147.2	-155.3	-60.2	168	179	174.9	0	114.2
278	K	23.8	Very low	25.4	Very low	216 Å²	216	115.6 Å²	115.6	94%	0.939	66%	0.661	S	S	*	*			trans	-86.5	126.8	155.3	-83.4	-177.2	172.6	-180	0	109.8
279	S	27.3	Very low	25.7	Very low	95 Å²	95	115.2 Å²	115.2	66%	0.664	66%	0.657	S	S	*	*			trans	-159.3	149.5	162	48.8	0	0	0	0	109.6
280	E	26.1	Very low	26.2	Very low	109 Å²	109	118.2 Å²	118.2	51%	0.509	66%	0.655	S	S	.	*			trans	72.9	82.1	167.8	-63.8	168	-155.6	0	0	117.9	L302	E280-L302 HydrophobicContact CB-CD2 3.88Å; E280-L302 HydrophobicContact CG-CD2 4.28Å
281	I	26	Very low	26.5	Very low	114 Å²	114	119.9 Å²	119.9	59%	0.585	66%	0.656	S	S	*	*			trans	-129.5	121.3	139.9	-60.9	179.8	0	0	0	106.7	F306	I281-F306 HydrophobicContact CD1-CD2 4.39Å
282	S	26.7	Very low	26.8	Very low	54 Å²	54	121.7 Å²	121.7	38%	0.378	66%	0.661	S	S	.	*			trans	-107.6	116.6	177.3	50.4	0	0	0	0	110.3
283	C	27.1	Very low	27.4	Very low	96 Å²	96	125 Å²	125	65%	0.649	67%	0.674	S	S	*	*			trans	-80.7	129.2	170.5	-58.8	0	0	0	0	109.8
284	H	29.4	Very low	27.8	Very low	111 Å²	111	129 Å²	129	51%	0.514	69%	0.688	S	S	.	*			trans	-116.8	116.9	171.9	-78.2	-68	0	0	0	110
285	N	29.7	Very low	28.3	Very low	131 Å²	131	124.1 Å²	124.1	70%	0.701	68%	0.677	S	S	*	*			trans	-81.6	126.1	166.5	-68.9	11.8	0	0	0	108.2	S287	N285-S287 PolarHBondContact O-N 3.48Å
286	I	29.3	Very low	28.6	Very low	116 Å²	116	120.2 Å²	120.2	60%	0.595	66%	0.656	S	S	*	*			trans	-95.9	79.2	173.5	-55.2	177	0	0	0	107.7
287	S	31.1	Very low	28.9	Very low	62 Å²	62	117.1 Å²	117.1	43%	0.434	64%	0.641	S	S	.	*			trans	-79.2	149	171.4	52.7	0	0	0	0	111.2	N285 G289	N285-S287 PolarHBondContact O-N 3.48Å; S287-G289 PolarHBondContact O-N 3.5Å
288	N	27	Very low	29	Very low	138 Å²	138	111.3 Å²	111.3	74%	0.738	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-46.3	121.8	-177.5	-72	-78.9	0	0	0	114.8	E313	N288-E313 PolarHBondContact ND2-OE2 3Å
289	G	30.8	Very low	29.4	Very low	73 Å²	73	103.4 Å²	103.4	75%	0.753	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	120	-16.4	155.4	0	0	0	0	0	117.9	S287	S287-G289 PolarHBondContact O-N 3.5Å
290	D	30.2	Very low	29.6	Very low	138 Å²	138	107.3 Å²	107.3	74%	0.738	60%	0.6	S	S	*	*			trans	-82.1	136.9	-171.3	-79.1	-38.4	0	0	0	114.8	L292	D290-L292 PolarHBondContact O-N 3.05Å
291	N	31.3	Very low	29.9	Very low	142 Å²	142	106.3 Å²	106.3	76%	0.759	61%	0.605	S	S	*	*			trans	-69.6	125.8	-170.6	-77.2	-76.1	0	0	0	112.7	H293	N291-H293 PolarHBondContact O-N 3.14Å
292	L	28.4	Very low	30	Very low	132 Å²	132	103.2 Å²	103.2	69%	0.691	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.6	-7.7	-174.4	-90.3	79.7	0	0	0	117.3	D290	D290-L292 PolarHBondContact O-N 3.05Å
293	H	33	Very low	30	Very low	185 Å²	185	103.4 Å²	103.4	86%	0.856	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-18	-173.6	-107.1	-75.2	0	0	0	115.4	N291	N291-H293 PolarHBondContact O-N 3.14Å
294	Q	31.8	Very low	30.1	Very low	160 Å²	160	104 Å²	104	75%	0.748	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-27.6	179.9	-89.5	-178.7	-17.8	0	0	114.4	G296 S297	Q294-G296 PolarHBondContact O-N 3.14Å; Q294-S297 PolarHBondContact O-N 2.82Å; Q294-S297 PolarHBondContact O-OG 3.06Å
295	V	30.1	Very low	30.2	Very low	78 Å²	78	100.1 Å²	100.1	47%	0.473	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.3	-38.8	-174.3	-177.4	0	0	0	0	111.8	S297 C298 I299	V295-S297 VanDerWaalsContact C-N 3.33Å; V295-S297 PolarHBondContact O-N 3.47Å; V295-C298 PolarHBondContact O-N 3.28Å; V295-I299 HydrophobicContact CG1-CD1 4.18Å
296	G	30	Very low	30.2	Very low	29 Å²	29	99 Å²	99	30%	0.299	58%	0.584	S	S	.	*	H	α-helix	trans	-63.2	-30.8	-177.3	0	0	0	0	0	114.9	Q294 C298	Q294-G296 PolarHBondContact O-N 3.14Å; G296-C298 VanDerWaalsContact C-N 3.33Å; G296-C298 PolarHBondContact O-N 2.95Å
297	S	31	Very low	30.4	Very low	85 Å²	85	95.7 Å²	95.7	59%	0.594	57%	0.57	S	S	*	*	H	α-helix	trans	-78.6	-12.4	-177.5	58.2	0	0	0	0	114.9	Q294 V295	Q294-S297 PolarHBondContact O-N 2.82Å; Q294-S297 PolarHBondContact O-OG 3.06Å; V295-S297 VanDerWaalsContact C-N 3.33Å; V295-S297 PolarHBondContact O-N 3.47Å
298	C	29.5	Very low	30.4	Very low	74 Å²	74	96.2 Å²	96.2	50%	0.5	56%	0.564	S	S	.	*	H	α-helix	trans	-97.5	-15.6	-179	-69.6	0	0	0	0	113.4	V295 G296 S301	V295-C298 PolarHBondContact O-N 3.28Å; G296-C298 VanDerWaalsContact C-N 3.33Å; G296-C298 PolarHBondContact O-N 2.95Å; C298-S301 PolarHBondContact O-OG 3.05Å
299	I	31.1	Very low	30.7	Very low	50 Å²	50	90.4 Å²	90.4	26%	0.256	53%	0.534	S	S	.	.	H	α-helix	trans	-79.1	-26.8	-179.1	-63.8	173.9	0	0	0	111.4	V295 S301 L302	V295-I299 HydrophobicContact CG1-CD1 4.18Å; I299-S301 PolarHBondContact O-N 3.35Å; I299-S301 VanDerWaalsContact O-N 3.08Å; I299-L302 PolarHBondContact O-N 3.4Å; I299-L302 VanDerWaalsContact O-N 3.13Å
300	E	31.3	Very low	31	Very low	176 Å²	176	89.3 Å²	89.3	82%	0.822	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.9	-179.7	-67.9	-165.6	140.2	0	0	114.8
301	S	32.4	Very low	31.6	Very low	89 Å²	89	83.3 Å²	83.3	62%	0.622	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-14	177	58.7	0	0	0	0	114.9	C298 I299 G303	C298-S301 PolarHBondContact O-OG 3.05Å; I299-S301 PolarHBondContact O-N 3.35Å; I299-S301 VanDerWaalsContact O-N 3.08Å; S301-G303 PolarHBondContact O-N 2.78Å
302	L	29.8	Very low	31.9	Very low	49 Å²	49	80 Å²	80	26%	0.257	47%	0.467	S	S	.	.			trans	-79	94.6	-173.9	-77.5	164.4	0	0	0	111.5	E280 I299 S304	E280-L302 HydrophobicContact CB-CD2 3.88Å; E280-L302 HydrophobicContact CG-CD2 4.28Å; I299-L302 PolarHBondContact O-N 3.4Å; I299-L302 VanDerWaalsContact O-N 3.13Å; L302-S304 PolarHBondContact O-N 3.14Å
303	G	26.6	Very low	32.2	Very low	58 Å²	58	79.1 Å²	79.1	60%	0.598	46%	0.459	S	S	*	.	S	Bend	trans	-68.8	90.7	174.7	0	0	0	0	0	112.1	S301	S301-G303 PolarHBondContact O-N 2.78Å
304	S	29.5	Very low	32.4	Very low	107 Å²	107	71.5 Å²	71.5	75%	0.748	43%	0.426	S	S	*	.	S	Bend	trans	53.5	63.1	177	48.4	0	0	0	0	113.5	L302	L302-S304 PolarHBondContact O-N 3.14Å
305	G	29.7	Very low	32.6	Very low	31 Å²	31	73.1 Å²	73.1	32%	0.32	43%	0.433	S	S	.	.			trans	-130.8	145.4	179.2	0	0	0	0	0	113
306	F	31.2	Very low	33.2	Very low	106 Å²	106	71.8 Å²	71.8	47%	0.465	43%	0.427	S	S	.	.			trans	-48.6	146.1	-178.8	-50.3	-93.3	0	0	0	114.8	I281 E344 W346	I281-F306 HydrophobicContact CD1-CD2 4.39Å; F306-E344 HydrophobicContact CD1-CB 4.29Å; F306-E344 VanDerWaalsContact CD1-OE2 3.28Å; F306-E344 WeakPolarHBondContact CD1-OE2 3.41Å; F306-E344 WeakPolarHBondContact CE1-OE2 3.46Å; F306-W346 AromaticContact CD1-NE1 3.76Å
307	V	33.5	Very low	33.4	Very low	48 Å²	48	73.1 Å²	73.1	29%	0.291	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	123	169.2	179.5	0	0	0	0	109.1	L336 E344 W346	V307-L336 HydrophobicContact CG2-CD1 4.26Å; V307-E344 PolarHBondContact N-O 3.36Å; V307-W346 PolarHBondContact O-N 2.77Å
308	F	29.6	Very low	33.8	Very low	72 Å²	72	72.5 Å²	72.5	32%	0.316	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	131	174.2	-129.2	-88.7	0	0	0	109.6	W346 A348	F308-W346 HydrophobicContact CD1-CB 4.49Å; F308-W346 HydrophobicContact CD2-CB 3.65Å; F308-W346 HydrophobicContact CD2-CD2 4.25Å; F308-W346 HydrophobicContact CD2-CE3 4.35Å; F308-W346 AromaticContact CD2-CG 3.99Å; F308-W346 HydrophobicContact CD2-CG 3.99Å; F308-W346 HydrophobicContact CE2-CB 3.74Å; F308-W346 AromaticContact CE2-CD2 3.63Å; F308-W346 HydrophobicContact CE2-CD2 3.63Å; F308-W346 AromaticContact CE2-CE3 3.34Å; F308-W346 HydrophobicContact CE2-CE3 3.34Å; F308-W346 AromaticContact CE2-CG 3.84Å; F308-W346 HydrophobicContact CE2-CG 3.84Å; F308-W346 HydrophobicContact CE2-CZ3 4.12Å; F308-W346 HydrophobicContact CG-CB 4.06Å; F308-W346 HydrophobicContact CZ-CB 4.21Å; F308-W346 HydrophobicContact CZ-CD2 4.28Å; F308-W346 AromaticContact CZ-CE3 3.6Å; F308-W346 HydrophobicContact CZ-CE3 3.6Å; F308-W346 HydrophobicContact CZ-CZ3 4.33Å; F308-A348 HydrophobicContact CE1-CB 4.23Å
309	C	35	Very low	34.7	Very low	17 Å²	17	74.3 Å²	74.3	12%	0.115	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	121	174.2	-90.7	0	0	0	0	109.6	V327 W346 L347 A348	C309-V327 HydrophobicContact CB-CG2 4.46Å; C309-W346 PolarHBondContact N-O 3.28Å; C309-L347 HydrophobicContact CB-CD2 4.1Å; C309-L347 WeakPolarHBondContact O-CA 3.5Å; C309-A348 PolarHBondContact O-N 2.95Å
310	D	36.7	Very low	35.3	Very low	49 Å²	49	72.4 Å²	72.4	26%	0.262	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	130.4	171.2	-172.5	14	0	0	0	110.2	S312 A348 N349	D310-S312 WeakPolarHBondContact OD1-CB 3.48Å; D310-S312 PolarHBondContact OD1-N 3.08Å; D310-S312 VanDerWaalsContact OD1-N 3.17Å; D310-S312 PolarHBondContact OD1-OG 3.21Å; D310-S312 WeakPolarHBondContact OD2-CB 3.37Å; D310-S312 PolarHBondContact OD2-OG 3.32Å; D310-A348 HydrophobicContact CB-CB 4.4Å; D310-N349 WeakPolarHBondContact OD1-CB 3.19Å; D310-N349 PolarHBondContact OD1-ND2 3.1Å
311	I	42.1	Very low	35.9	Very low	12 Å²	12	66.5 Å²	66.5	6%	0.062	40%	0.395	C	S	.	.			trans	-108.6	20.2	-179.7	-30.1	-179.1	0	0	0	111.6	E313 T314 N323 L347 A348 V350	I311-E313 PolarHBondContact O-N 3.45Å; I311-T314 HydrophobicContact CG2-CG2 4.14Å; I311-T314 PolarHBondContact O-OG1 3.16Å; I311-N323 HydrophobicContact CG2-CB 4.47Å; I311-L347 HydrophobicContact CD1-CD2 4.29Å; I311-A348 WeakPolarHBondContact CG1-O 3.42Å; I311-A348 PolarHBondContact N-O 3.47Å; I311-V350 HydrophobicContact CD1-CG2 3.95Å
312	S	37.1	Very low	36.8	Very low	72 Å²	72	64.6 Å²	64.6	50%	0.503	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-15.8	-172.6	48.6	0	0	0	0	117.4	D310	D310-S312 WeakPolarHBondContact OD1-CB 3.48Å; D310-S312 PolarHBondContact OD1-N 3.08Å; D310-S312 VanDerWaalsContact OD1-N 3.17Å; D310-S312 PolarHBondContact OD1-OG 3.21Å; D310-S312 WeakPolarHBondContact OD2-CB 3.37Å; D310-S312 PolarHBondContact OD2-OG 3.32Å
313	E	36.4	Very low	37.8	Very low	115 Å²	115	65.1 Å²	65.1	54%	0.537	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	8.7	-173.5	-64.7	-167.1	171.2	0	0	116	N288 I311 E315	N288-E313 PolarHBondContact ND2-OE2 3Å; I311-E313 PolarHBondContact O-N 3.45Å; E313-E315 PolarHBondContact O-N 3Å
314	T	36.7	Very low	38.9	Very low	25 Å²	25	64 Å²	64	15%	0.153	37%	0.368	C	S	.	.			trans	-93.9	97.9	-177.2	52.1	0	0	0	0	114.4	I311 S316 K319 E320 N323	I311-T314 HydrophobicContact CG2-CG2 4.14Å; I311-T314 PolarHBondContact O-OG1 3.16Å; T314-S316 PolarHBondContact O-N 3.27Å; T314-K319 HydrophobicContact CG2-CB 3.92Å; T314-E320 WeakPolarHBondContact OG1-CG 3.42Å; T314-N323 VanDerWaalsContact CG2-ND2 3.26Å; T314-N323 WeakPolarHBondContact CG2-ND2 3.25Å
315	E	35.6	Very low	39.9	Very low	193 Å²	193	62.4 Å²	62.4	90%	0.902	35%	0.348	S	S	*	.			trans	-71.4	16.2	173.4	-57.8	-178.7	134.5	0	0	115.2	E313	E313-E315 PolarHBondContact O-N 3Å
316	S	43	Very low	41	Very low	50 Å²	50	64.2 Å²	64.2	35%	0.35	35%	0.35	S	S	.	.	S	Bend	trans	-155.1	126.8	-171.6	179.7	0	0	0	0	112.7	T314 A318 K319 E320	T314-S316 PolarHBondContact O-N 3.27Å; S316-A318 PolarHBondContact O-N 3.44Å; S316-A318 PolarHBondContact OG-N 3.35Å; S316-K319 CarbonylContact O-C 3.59Å; S316-K319 WeakPolarHBondContact O-CA 3.15Å; S316-K319 WeakPolarHBondContact O-CB 3.32Å; S316-K319 PolarHBondContact O-N 2.98Å; S316-E320 VanDerWaalsContact C-OE1 3.26Å; S316-E320 WeakPolarHBondContact O-CG 3.44Å; S316-E320 PolarHBondContact O-N 2.99Å
317	C	33.9	Very low	41.7	Very low	57 Å²	57	60 Å²	60	39%	0.385	33%	0.333	S	S	.	.	H	α-helix	trans	-55.4	-27.5	175.3	-162.3	0	0	0	0	113.4	E320 L321	C317-E320 WeakPolarHBondContact CA-OE2 3.44Å; C317-E320 PolarHBondContact N-OE1 2.88Å; C317-L321 WeakPolarHBondContact O-CB 3.33Å; C317-L321 PolarHBondContact O-N 3.23Å
318	A	38.7	Very low	42.5	Very low	73 Å²	73	59.5 Å²	59.5	60%	0.603	33%	0.334	S	S	*	.	H	α-helix	trans	-73.2	-37	172.7	0	0	0	0	0	113	S316 A322	S316-A318 PolarHBondContact O-N 3.44Å; S316-A318 PolarHBondContact OG-N 3.35Å; A318-A322 VanDerWaalsContact O-CB 3.32Å; A318-A322 WeakPolarHBondContact O-CB 3.45Å; A318-A322 PolarHBondContact O-N 3.4Å
319	K	47.8	Very low	43.3	Very low	112 Å²	112	61 Å²	61	49%	0.487	34%	0.341	S	S	.	.	H	α-helix	trans	-70.9	-39.3	172.7	-71.6	-177.2	175.6	-179.9	0	111.3	T314 S316 A322 N323	T314-K319 HydrophobicContact CG2-CB 3.92Å; S316-K319 CarbonylContact O-C 3.59Å; S316-K319 WeakPolarHBondContact O-CA 3.15Å; S316-K319 WeakPolarHBondContact O-CB 3.32Å; S316-K319 PolarHBondContact O-N 2.98Å; K319-A322 PolarHBondContact O-N 2.9Å; K319-N323 WeakPolarHBondContact O-CB 3.38Å; K319-N323 PolarHBondContact O-N 3.42Å
320	E	43.8	Very low	43.9	Very low	10 Å²	10	63.1 Å²	63.1	5%	0.047	35%	0.35	C	S	.	.	H	α-helix	trans	-57.6	-50.6	173.7	-70.3	155.8	-141.1	0	0	111.4	T314 S316 C317 A322 N323 L324 P351 S353 L354	T314-E320 WeakPolarHBondContact OG1-CG 3.42Å; S316-E320 VanDerWaalsContact C-OE1 3.26Å; S316-E320 WeakPolarHBondContact O-CG 3.44Å; S316-E320 PolarHBondContact O-N 2.99Å; C317-E320 WeakPolarHBondContact CA-OE2 3.44Å; C317-E320 PolarHBondContact N-OE1 2.88Å; E320-A322 VanDerWaalsContact C-N 3.34Å; E320-A322 PolarHBondContact O-N 3Å; E320-N323 PolarHBondContact O-N 3.31Å; E320-L324 PolarHBondContact O-N 3.44Å; E320-P351 HydrophobicContact CG-CG 3.93Å; E320-P351 WeakPolarHBondContact OE2-CG 3.24Å; E320-S353 PolarHBondContact OE2-OG 3.17Å; E320-S353 VanDerWaalsContact OE2-OG 3.14Å; E320-L354 HydrophobicContact CB-CD1 4.03Å; E320-L354 HydrophobicContact CB-CD2 4.29Å; E320-L354 HydrophobicContact CB-CG 4.44Å; E320-L354 HydrophobicContact CG-CD1 4.32Å
321	L	44.5	Very low	44.4	Very low	52 Å²	52	61.4 Å²	61.4	27%	0.272	34%	0.342	S	S	.	.	H	α-helix	trans	-64.3	-39.4	178.1	-161.2	78.3	0	0	0	111.5	C317 L324 Q325 I361	C317-L321 WeakPolarHBondContact O-CB 3.33Å; C317-L321 PolarHBondContact O-N 3.23Å; L321-L324 PolarHBondContact O-N 2.81Å; L321-Q325 WeakPolarHBondContact O-CB 3.21Å; L321-Q325 VanDerWaalsContact O-CG 3.31Å; L321-Q325 WeakPolarHBondContact O-CG 3.4Å; L321-Q325 PolarHBondContact O-N 2.95Å; L321-I361 HydrophobicContact CD1-CG1 4.13Å
322	A	51.8	Low	44.7	Very low	48 Å²	48	68 Å²	68	40%	0.397	37%	0.372	S	S	.	.	H	α-helix	trans	-63.2	-39.7	174.3	0	0	0	0	0	112.2	A318 K319 E320 Q325 L326	A318-A322 VanDerWaalsContact O-CB 3.32Å; A318-A322 WeakPolarHBondContact O-CB 3.45Å; A318-A322 PolarHBondContact O-N 3.4Å; K319-A322 PolarHBondContact O-N 2.9Å; E320-A322 VanDerWaalsContact C-N 3.34Å; E320-A322 PolarHBondContact O-N 3Å; A322-Q325 PolarHBondContact O-N 3.49Å; A322-L326 WeakPolarHBondContact O-CB 3.41Å; A322-L326 PolarHBondContact O-N 3.48Å
323	N	50.2	Low	45.4	Very low	61 Å²	61	72.8 Å²	72.8	33%	0.326	38%	0.384	S	S	.	.	H	α-helix	trans	-67.2	-41.2	175.1	-79.3	-2.4	0	0	0	111.9	I311 T314 K319 E320 L326 V327	I311-N323 HydrophobicContact CG2-CB 4.47Å; T314-N323 VanDerWaalsContact CG2-ND2 3.26Å; T314-N323 WeakPolarHBondContact CG2-ND2 3.25Å; K319-N323 WeakPolarHBondContact O-CB 3.38Å; K319-N323 PolarHBondContact O-N 3.42Å; E320-N323 PolarHBondContact O-N 3.31Å; N323-L326 WeakPolarHBondContact O-CB 3.24Å; N323-L326 PolarHBondContact O-N 2.77Å; N323-L326 VanDerWaalsContact O-N 3.15Å; N323-V327 WeakPolarHBondContact O-CG2 3.38Å; N323-V327 PolarHBondContact O-N 3.45Å
324	L	49.2	Very low	45.9	Very low	34 Å²	34	70.2 Å²	70.2	18%	0.178	37%	0.372	C	S	.	.	H	α-helix	trans	-62.8	-42	172.7	-84.8	163.4	0	0	0	112.2	E320 L321 L326 V327 A328 L347 L354	E320-L324 PolarHBondContact O-N 3.44Å; L321-L324 PolarHBondContact O-N 2.81Å; L324-L326 VanDerWaalsContact C-N 3.3Å; L324-L326 PolarHBondContact O-N 3.32Å; L324-V327 PolarHBondContact O-N 3.15Å; L324-A328 WeakPolarHBondContact O-CB 3.46Å; L324-A328 PolarHBondContact O-N 2.97Å; L324-L347 HydrophobicContact CD2-CD1 3.75Å; L324-L354 HydrophobicContact CD1-CD1 4.33Å; L324-L354 HydrophobicContact CD1-CD2 3.78Å
325	Q	51.4	Low	46.1	Very low	74 Å²	74	77.4 Å²	77.4	35%	0.346	40%	0.401	S	S	.	.	H	α-helix	trans	-63.9	-34.2	172.1	-73.7	177	-3.6	0	0	112.1	L321 A322 K329	L321-Q325 WeakPolarHBondContact O-CB 3.21Å; L321-Q325 VanDerWaalsContact O-CG 3.31Å; L321-Q325 WeakPolarHBondContact O-CG 3.4Å; L321-Q325 PolarHBondContact O-N 2.95Å; A322-Q325 PolarHBondContact O-N 3.49Å; Q325-K329 WeakPolarHBondContact O-CB 3.35Å; Q325-K329 WeakPolarHBondContact O-CG 3.39Å; Q325-K329 PolarHBondContact O-N 3.23Å
326	L	52.3	Low	46.3	Very low	68 Å²	68	71.1 Å²	71.1	36%	0.356	37%	0.373	S	S	.	.	H	α-helix	trans	-69.3	-43.7	175.8	-164.5	75.8	0	0	0	111.6	A322 N323 L324 K329 L330	A322-L326 WeakPolarHBondContact O-CB 3.41Å; A322-L326 PolarHBondContact O-N 3.48Å; N323-L326 WeakPolarHBondContact O-CB 3.24Å; N323-L326 PolarHBondContact O-N 2.77Å; N323-L326 VanDerWaalsContact O-N 3.15Å; L324-L326 VanDerWaalsContact C-N 3.3Å; L324-L326 PolarHBondContact O-N 3.32Å; L326-K329 PolarHBondContact O-N 3.19Å; L326-L330 HydrophobicContact CG-CD1 4.4Å; L326-L330 WeakPolarHBondContact O-CB 3.43Å; L326-L330 WeakPolarHBondContact O-CG 3.44Å; L326-L330 PolarHBondContact O-N 3.42Å
327	V	46.8	Very low	46.1	Very low	17 Å²	17	70.6 Å²	70.6	10%	0.103	37%	0.366	C	S	.	.	H	α-helix	trans	-62.5	-45	174.1	171.5	0	0	0	0	110.5	C309 N323 L324 K329 L330 C331 V345 L347	C309-V327 HydrophobicContact CB-CG2 4.46Å; N323-V327 WeakPolarHBondContact O-CG2 3.38Å; N323-V327 PolarHBondContact O-N 3.45Å; L324-V327 PolarHBondContact O-N 3.15Å; V327-K329 PolarHBondContact O-N 3.43Å; V327-L330 PolarHBondContact O-N 3.31Å; V327-C331 PolarHBondContact O-N 3.17Å; V327-C331 PolarHBondContact O-SG 3.5Å; V327-V345 HydrophobicContact CG1-CG1 3.93Å; V327-L347 HydrophobicContact CG1-CD2 4.44Å
328	A	49.1	Very low	45.9	Very low	38 Å²	38	69.6 Å²	69.6	31%	0.314	37%	0.365	S	S	.	.	H	α-helix	trans	-60.7	-43.1	173.9	0	0	0	0	0	112.1	L324 C331 H332 L365	L324-A328 WeakPolarHBondContact O-CB 3.46Å; L324-A328 PolarHBondContact O-N 2.97Å; A328-C331 PolarHBondContact O-N 2.9Å; A328-H332 WeakPolarHBondContact O-CB 3.43Å; A328-H332 PolarHBondContact O-N 3.43Å; A328-L365 HydrophobicContact CB-CD2 4.38Å
329	K	48.1	Very low	45.4	Very low	104 Å²	104	77.4 Å²	77.4	45%	0.452	38%	0.379	S	S	.	.	H	α-helix	trans	-62.3	-40.2	173.6	-85.5	-177.8	173.9	175.5	0	112.4	Q325 L326 V327 H332 K333 Y368	Q325-K329 WeakPolarHBondContact O-CB 3.35Å; Q325-K329 WeakPolarHBondContact O-CG 3.39Å; Q325-K329 PolarHBondContact O-N 3.23Å; L326-K329 PolarHBondContact O-N 3.19Å; V327-K329 PolarHBondContact O-N 3.43Å; K329-H332 PolarHBondContact O-N 3.16Å; K329-K333 WeakPolarHBondContact O-CB 3.39Å; K329-K333 PolarHBondContact O-N 3.48Å; K329-Y368 WeakPolarHBondContact CE-OH 3.38Å; K329-Y368 PolarHBondContact NZ-OH 3.49Å
330	L	46.2	Very low	44.4	Very low	62 Å²	62	75.8 Å²	75.8	33%	0.325	39%	0.394	S	S	.	.	H	α-helix	trans	-64.7	-50	175.8	-78.6	162.5	0	0	0	111.3	L326 V327 H332 K333 E334	L326-L330 HydrophobicContact CG-CD1 4.4Å; L326-L330 WeakPolarHBondContact O-CB 3.43Å; L326-L330 WeakPolarHBondContact O-CG 3.44Å; L326-L330 PolarHBondContact O-N 3.42Å; V327-L330 PolarHBondContact O-N 3.31Å; L330-H332 PolarHBondContact O-N 3.36Å; L330-K333 PolarHBondContact O-N 3.42Å; L330-E334 WeakPolarHBondContact O-CB 3.35Å; L330-E334 WeakPolarHBondContact O-CG 3.4Å; L330-E334 PolarHBondContact O-N 3.05Å
331	C	47.1	Very low	43.6	Very low	12 Å²	12	83.8 Å²	83.8	8%	0.081	42%	0.424	C	S	.	.	H	α-helix	trans	-58.4	-33.8	176.7	-67.1	0	0	0	0	113	V327 A328 I337	V327-C331 PolarHBondContact O-N 3.17Å; V327-C331 PolarHBondContact O-SG 3.5Å; A328-C331 PolarHBondContact O-N 2.9Å; C331-I337 HydrophobicContact CB-CD1 4.28Å
332	H	49.7	Very low	42.9	Very low	152 Å²	152	88.8 Å²	88.8	70%	0.704	44%	0.444	S	S	*	.	H	α-helix	trans	-78	-43.9	176.4	-156.7	40.7	0	0	0	112.6	A328 K329 L330 K335	A328-H332 WeakPolarHBondContact O-CB 3.43Å; A328-H332 PolarHBondContact O-N 3.43Å; K329-H332 PolarHBondContact O-N 3.16Å; L330-H332 PolarHBondContact O-N 3.36Å; H332-K335 PolarHBondContact O-N 3.35Å
333	K	50.1	Low	42	Very low	171 Å²	171	87.2 Å²	87.2	74%	0.743	43%	0.431	S	S	*	.	H	α-helix	trans	-68.2	-39.2	-177.4	-169.4	179.2	-178	-173.6	0	112.9	K329 L330 K335	K329-K333 WeakPolarHBondContact O-CB 3.39Å; K329-K333 PolarHBondContact O-N 3.48Å; L330-K333 PolarHBondContact O-N 3.42Å; K333-K335 PolarHBondContact O-N 2.88Å
334	E	47.3	Very low	41.2	Very low	61 Å²	61	86.8 Å²	86.8	29%	0.285	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	1.3	177.7	-66.8	-57.7	139	0	0	113.6	L330 L336	L330-E334 WeakPolarHBondContact O-CB 3.35Å; L330-E334 WeakPolarHBondContact O-CG 3.4Å; L330-E334 PolarHBondContact O-N 3.05Å; E334-L336 HydrophobicContact CB-CD1 3.98Å; E334-L336 HydrophobicContact CB-CG 3.82Å; E334-L336 PolarHBondContact O-N 2.87Å
335	K	42.3	Very low	40.5	Very low	176 Å²	176	85.4 Å²	85.4	77%	0.765	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.4	23.9	-177.9	-59.1	175.6	-179.5	168.9	0	114.2	H332 K333 I337 G338	H332-K335 PolarHBondContact O-N 3.35Å; K333-K335 PolarHBondContact O-N 2.88Å; K335-I337 PolarHBondContact O-N 3.47Å; K335-I337 VanDerWaalsContact O-N 3.07Å; K335-G338 PolarHBondContact O-N 2.85Å
336	L	38.7	Very low	39.8	Very low	61 Å²	61	85.2 Å²	85.2	32%	0.319	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-19.8	179.8	-69.4	169.8	0	0	0	112.9	V307 E334 G338 A343	V307-L336 HydrophobicContact CG2-CD1 4.26Å; E334-L336 HydrophobicContact CB-CD1 3.98Å; E334-L336 HydrophobicContact CB-CG 3.82Å; E334-L336 PolarHBondContact O-N 2.87Å; L336-G338 VanDerWaalsContact C-N 3.32Å; L336-A343 HydrophobicContact CB-CB 4.26Å
337	I	39.2	Very low	38.9	Very low	40 Å²	40	82.3 Å²	82.3	21%	0.205	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	4.7	177.2	-58.1	166.8	0	0	0	111.6	C331 K335 C405 Q407	C331-I337 HydrophobicContact CB-CD1 4.28Å; K335-I337 PolarHBondContact O-N 3.47Å; K335-I337 VanDerWaalsContact O-N 3.07Å; I337-C405 HydrophobicContact CD1-CB 3.77Å; I337-C405 HydrophobicContact CG1-CB 4.14Å; I337-Q407 HydrophobicContact CG2-CB 4.2Å; I337-Q407 PolarHBondContact O-OE1 2.68Å
338	G	28.9	Very low	38.3	Very low	35 Å²	35	82.1 Å²	82.1	36%	0.361	40%	0.401	S	S	.	.			trans	-88.7	137.5	179.7	0	0	0	0	0	114.9	K335 L336	K335-G338 PolarHBondContact O-N 2.85Å; L336-G338 VanDerWaalsContact C-N 3.32Å
339	R	28	Very low	37.6	Very low	237 Å²	237	83 Å²	83	89%	0.894	40%	0.401	S	S	*	.	S	Bend	trans	70.4	51.1	174.3	-57	178.3	167.9	147.5	-5.1	116.5	R341	R339-R341 PolarHBondContact O-N 3.02Å
340	G	27.6	Very low	37.1	Very low	78 Å²	78	79.2 Å²	79.2	80%	0.804	39%	0.386	S	S	*	.	S	Bend	trans	60.5	23.7	164.5	0	0	0	0	0	114.8
341	R	27.8	Very low	36.6	Very low	179 Å²	179	78.2 Å²	78.2	68%	0.675	38%	0.383	S	S	*	.			trans	-104.7	130.7	175.2	-72.4	175	178.4	-167.1	-4.3	107.8	R339 A343	R339-R341 PolarHBondContact O-N 3.02Å; R341-A343 PolarHBondContact O-N 2.78Å
342	F	29.3	Very low	36	Very low	156 Å²	156	84.2 Å²	84.2	68%	0.684	41%	0.408	S	S	*	.			trans	-71.1	125.6	172.4	-58.5	-87.9	0	0	0	108.4	L404	F342-L404 HydrophobicContact CD1-CD2 4Å
343	A	31.9	Very low	35.4	Very low	16 Å²	16	79.3 Å²	79.3	13%	0.132	39%	0.391	C	S	.	.			trans	-94.6	118.2	161.4	0	0	0	0	0	107	L336 R341	L336-A343 HydrophobicContact CB-CB 4.26Å; R341-A343 PolarHBondContact O-N 2.78Å
344	E	34.1	Very low	34.9	Very low	52 Å²	52	71.5 Å²	71.5	24%	0.243	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	115.4	171.5	-167.8	179.6	-126.5	0	0	108.2	F306 V307 W346 H402	F306-E344 HydrophobicContact CD1-CB 4.29Å; F306-E344 VanDerWaalsContact CD1-OE2 3.28Å; F306-E344 WeakPolarHBondContact CD1-OE2 3.41Å; F306-E344 WeakPolarHBondContact CE1-OE2 3.46Å; V307-E344 PolarHBondContact N-O 3.36Å; E344-W346 PolarHBondContact OE2-NE1 2.8Å; E344-H402 VanDerWaalsContact CD-ND1 3.32Å; E344-H402 IonicContact OE1-CE1 3.68Å; E344-H402 IonicContact OE1-CG 3.18Å; E344-H402 IonicContact OE1-ND1 2.67Å; E344-H402 PolarHBondContact OE1-ND1 3.46Å; E344-H402 IonicContact OE2-ND1 3.87Å
345	V	35	Very low	34.5	Very low	4 Å²	4	70.9 Å²	70.9	2%	0.024	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.4	174.3	-173.9	0	0	0	0	108.3	V327 L347 L403	V327-V345 HydrophobicContact CG1-CG1 3.93Å; V345-L347 HydrophobicContact CG1-CD2 4.07Å; V345-L347 HydrophobicContact CG1-CG 4.36Å; V345-L403 HydrophobicContact CB-CB 4.02Å; V345-L403 PolarHBondContact N-O 2.77Å; V345-L403 PolarHBondContact O-N 3.03Å
346	W	35.5	Very low	34.2	Very low	71 Å²	71	68 Å²	68	27%	0.269	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	112	173.7	-74	55.9	0	0	0	108.5	F306 V307 F308 C309 E344 H402	F306-W346 AromaticContact CD1-NE1 3.76Å; V307-W346 PolarHBondContact O-N 2.77Å; F308-W346 HydrophobicContact CD1-CB 4.49Å; F308-W346 HydrophobicContact CD2-CB 3.65Å; F308-W346 HydrophobicContact CD2-CD2 4.25Å; F308-W346 HydrophobicContact CD2-CE3 4.35Å; F308-W346 AromaticContact CD2-CG 3.99Å; F308-W346 HydrophobicContact CD2-CG 3.99Å; F308-W346 HydrophobicContact CE2-CB 3.74Å; F308-W346 AromaticContact CE2-CD2 3.63Å; F308-W346 HydrophobicContact CE2-CD2 3.63Å; F308-W346 AromaticContact CE2-CE3 3.34Å; F308-W346 HydrophobicContact CE2-CE3 3.34Å; F308-W346 AromaticContact CE2-CG 3.84Å; F308-W346 HydrophobicContact CE2-CG 3.84Å; F308-W346 HydrophobicContact CE2-CZ3 4.12Å; F308-W346 HydrophobicContact CG-CB 4.06Å; F308-W346 HydrophobicContact CZ-CB 4.21Å; F308-W346 HydrophobicContact CZ-CD2 4.28Å; F308-W346 AromaticContact CZ-CE3 3.6Å; F308-W346 HydrophobicContact CZ-CE3 3.6Å; F308-W346 HydrophobicContact CZ-CZ3 4.33Å; C309-W346 PolarHBondContact N-O 3.28Å; E344-W346 PolarHBondContact OE2-NE1 2.8Å; W346-H402 AromaticContact CE2-CE1 3.76Å; W346-H402 AromaticContact CZ2-CE1 3.68Å
347	L	34.7	Very low	34.1	Very low	7 Å²	7	69.7 Å²	69.7	4%	0.037	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	112.8	174.2	-61.1	171.5	0	0	0	108.9	C309 I311 L324 V327 V345 V350 L399 S400 W401 L403	C309-L347 HydrophobicContact CB-CD2 4.1Å; C309-L347 WeakPolarHBondContact O-CA 3.5Å; I311-L347 HydrophobicContact CD1-CD2 4.29Å; L324-L347 HydrophobicContact CD2-CD1 3.75Å; V327-L347 HydrophobicContact CG1-CD2 4.44Å; V345-L347 HydrophobicContact CG1-CD2 4.07Å; V345-L347 HydrophobicContact CG1-CG 4.36Å; L347-V350 HydrophobicContact CB-CG2 3.7Å; L347-L399 VanDerWaalsContact O-O 3.13Å; L347-S400 WeakPolarHBondContact O-CA 3.46Å; L347-W401 HydrophobicContact CB-CB 4.31Å; L347-W401 PolarHBondContact N-O 2.95Å; L347-W401 PolarHBondContact O-N 3.41Å; L347-L403 HydrophobicContact CD1-CD1 4.17Å
348	A	33.4	Very low	34	Very low	13 Å²	13	73.4 Å²	73.4	11%	0.107	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	148.2	174.3	0	0	0	0	0	111.4	F308 C309 D310 I311 V350 L399	F308-A348 HydrophobicContact CE1-CB 4.23Å; C309-A348 PolarHBondContact O-N 2.95Å; D310-A348 HydrophobicContact CB-CB 4.4Å; I311-A348 WeakPolarHBondContact CG1-O 3.42Å; I311-A348 PolarHBondContact N-O 3.47Å; A348-V350 PolarHBondContact O-N 3.05Å; A348-L399 CarbonylContact C-O 3.52Å; A348-L399 VanDerWaalsContact CA-O 3.24Å; A348-L399 WeakPolarHBondContact CA-O 3.21Å
349	N	34.8	Very low	34.2	Very low	56 Å²	56	78.7 Å²	78.7	30%	0.299	39%	0.393	S	S	.	.	S	Bend	trans	59.5	36	174.3	-64.4	-56.8	0	0	0	115.6	D310 P351 L399	D310-N349 WeakPolarHBondContact OD1-CB 3.19Å; D310-N349 PolarHBondContact OD1-ND2 3.1Å; N349-P351 VanDerWaalsContact O-CD 3.28Å; N349-P351 WeakPolarHBondContact O-CD 3.17Å; N349-L399 PolarHBondContact N-O 3.4Å; N349-L399 WeakPolarHBondContact OD1-CD1 3.46Å; N349-L399 WeakPolarHBondContact OD1-CD2 3.45Å
350	V	38.5	Very low	34.5	Very low	25 Å²	25	72.8 Å²	72.8	15%	0.152	37%	0.374	C	S	.	.			trans	-68.9	117.4	173.6	-170.7	0	0	0	0	110.3	I311 L347 A348 L354 F355 W401	I311-V350 HydrophobicContact CD1-CG2 3.95Å; L347-V350 HydrophobicContact CB-CG2 3.7Å; A348-V350 PolarHBondContact O-N 3.05Å; V350-L354 HydrophobicContact CG1-CD1 3.52Å; V350-F355 HydrophobicContact CG1-CE2 4.19Å; V350-W401 HydrophobicContact CG2-CG 4.32Å
351	P	35.1	Very low	34.9	Very low	41 Å²	41	70.7 Å²	70.7	27%	0.266	34%	0.344	S	S	.	.			trans	-72.6	148.5	-178.7	28.6	-34.4	0	0	0	112.7	E320 N349 S353 L354	E320-P351 HydrophobicContact CG-CG 3.93Å; E320-P351 WeakPolarHBondContact OE2-CG 3.24Å; N349-P351 VanDerWaalsContact O-CD 3.28Å; N349-P351 WeakPolarHBondContact O-CD 3.17Å; P351-S353 PolarHBondContact O-N 2.93Å; P351-S353 VanDerWaalsContact O-N 3.1Å; P351-L354 HydrophobicContact CG-CD1 4.03Å; P351-L354 PolarHBondContact O-N 3.44Å
352	F	33.3	Very low	35.2	Very low	137 Å²	137	65.8 Å²	65.8	60%	0.601	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-63.7	-18.1	-174	-160.1	-93.9	0	0	0	113.7	H99 L354 F355	H99-F352 AromaticContact CE1-CE2 3.57Å; H99-F352 AromaticContact CE1-CZ 3.97Å; H99-F352 AromaticContact NE2-CE2 3.75Å; F352-L354 VanDerWaalsContact C-N 3.27Å; F352-L354 PolarHBondContact O-N 2.98Å; F352-F355 WeakPolarHBondContact O-CB 3.22Å; F352-F355 PolarHBondContact O-N 3.19Å; F352-F355 VanDerWaalsContact O-N 3.09Å
353	S	38.6	Very low	35.5	Very low	49 Å²	49	63.7 Å²	63.7	34%	0.343	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-51.7	-39.8	172.3	39.6	0	0	0	0	113.5	E320 P351 F355 T356	E320-S353 PolarHBondContact OE2-OG 3.17Å; E320-S353 VanDerWaalsContact OE2-OG 3.14Å; P351-S353 PolarHBondContact O-N 2.93Å; P351-S353 VanDerWaalsContact O-N 3.1Å; S353-F355 VanDerWaalsContact C-N 3.28Å; S353-F355 PolarHBondContact O-N 3.37Å; S353-T356 PolarHBondContact O-OG1 3.25Å
354	L	39.1	Very low	35.8	Very low	7 Å²	7	65.9 Å²	65.9	4%	0.037	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-66.8	-30.6	179.6	-72.9	144	0	0	0	112.2	E320 L324 V350 P351 F352 T356 H357 I361	E320-L354 HydrophobicContact CB-CD1 4.03Å; E320-L354 HydrophobicContact CB-CD2 4.29Å; E320-L354 HydrophobicContact CB-CG 4.44Å; E320-L354 HydrophobicContact CG-CD1 4.32Å; L324-L354 HydrophobicContact CD1-CD1 4.33Å; L324-L354 HydrophobicContact CD1-CD2 3.78Å; V350-L354 HydrophobicContact CG1-CD1 3.52Å; P351-L354 HydrophobicContact CG-CD1 4.03Å; P351-L354 PolarHBondContact O-N 3.44Å; F352-L354 VanDerWaalsContact C-N 3.27Å; F352-L354 PolarHBondContact O-N 2.98Å; L354-T356 VanDerWaalsContact C-N 3.35Å; L354-T356 PolarHBondContact O-N 2.93Å; L354-H357 PolarHBondContact O-N 3.11Å; L354-I361 HydrophobicContact CB-CD1 3.99Å; L354-I361 HydrophobicContact CD2-CD1 3.75Å; L354-I361 VanDerWaalsContact O-CD1 3.22Å; L354-I361 WeakPolarHBondContact O-CD1 3.23Å
355	F	39	Very low	35.9	Very low	49 Å²	49	66.3 Å²	66.3	22%	0.215	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-69.1	-31.7	-175.4	-81.9	-89.1	0	0	0	113.1	V350 F352 S353 H357 Q358 W401	V350-F355 HydrophobicContact CG1-CE2 4.19Å; F352-F355 WeakPolarHBondContact O-CB 3.22Å; F352-F355 PolarHBondContact O-N 3.19Å; F352-F355 VanDerWaalsContact O-N 3.09Å; S353-F355 VanDerWaalsContact C-N 3.28Å; S353-F355 PolarHBondContact O-N 3.37Å; F355-H357 PolarHBondContact O-N 2.75Å; F355-H357 VanDerWaalsContact O-N 3.13Å; F355-Q358 HydrophobicContact CD1-CG 4.27Å; F355-Q358 WeakPolarHBondContact O-CG 3.33Å; F355-Q358 PolarHBondContact O-N 3.13Å; F355-W401 HydrophobicContact CD1-CH2 4.3Å; F355-W401 HydrophobicContact CD1-CZ2 4.46Å; F355-W401 HydrophobicContact CE1-CD2 4.49Å; F355-W401 HydrophobicContact CE1-CE3 4.27Å; F355-W401 AromaticContact CE1-CH2 3.31Å; F355-W401 HydrophobicContact CE1-CH2 3.31Å; F355-W401 AromaticContact CE1-CZ2 3.57Å; F355-W401 HydrophobicContact CE1-CZ2 3.57Å; F355-W401 AromaticContact CE1-CZ3 3.68Å; F355-W401 HydrophobicContact CE1-CZ3 3.68Å; F355-W401 HydrophobicContact CE2-CD2 4.34Å; F355-W401 AromaticContact CE2-CE2 3.68Å; F355-W401 HydrophobicContact CE2-CH2 4.29Å; F355-W401 AromaticContact CE2-CZ2 3.68Å; F355-W401 HydrophobicContact CE2-CZ2 3.68Å; F355-W401 AromaticContact CE2-NE1 3.85Å; F355-W401 AromaticContact CZ-CD2 3.63Å; F355-W401 HydrophobicContact CZ-CD2 3.63Å; F355-W401 AromaticContact CZ-CE2 3.26Å; F355-W401 AromaticContact CZ-CE3 3.8Å; F355-W401 HydrophobicContact CZ-CE3 3.8Å; F355-W401 HydrophobicContact CZ-CG 4.48Å; F355-W401 AromaticContact CZ-CH2 3.33Å; F355-W401 HydrophobicContact CZ-CH2 3.33Å; F355-W401 AromaticContact CZ-CZ2 3.13Å; F355-W401 HydrophobicContact CZ-CZ2 3.13Å; F355-W401 AromaticContact CZ-CZ3 3.65Å; F355-W401 HydrophobicContact CZ-CZ3 3.65Å; F355-W401 AromaticContact CZ-NE1 3.88Å
356	T	36.6	Very low	35.9	Very low	115 Å²	115	70.4 Å²	70.4	71%	0.706	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-66.5	-12.2	172.4	55.2	0	0	0	0	113.5	S353 L354	S353-T356 PolarHBondContact O-OG1 3.25Å; L354-T356 VanDerWaalsContact C-N 3.35Å; L354-T356 PolarHBondContact O-N 2.93Å
357	H	35.9	Very low	35.9	Very low	96 Å²	96	70.9 Å²	70.9	44%	0.444	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-107.7	15.6	177.7	-100.8	-50.6	0	0	0	114.3	L354 F355 L359 K360 I361	L354-H357 PolarHBondContact O-N 3.11Å; F355-H357 PolarHBondContact O-N 2.75Å; F355-H357 VanDerWaalsContact O-N 3.13Å; H357-L359 VanDerWaalsContact C-N 3.32Å; H357-L359 PolarHBondContact O-N 2.7Å; H357-L359 VanDerWaalsContact O-N 3.11Å; H357-K360 WeakPolarHBondContact O-CA 3.39Å; H357-K360 PolarHBondContact O-N 3.05Å; H357-I361 HydrophobicContact CB-CD1 4.23Å; H357-I361 HydrophobicContact CB-CG1 4.27Å; H357-I361 PolarHBondContact O-N 3.16Å
358	Q	37.7	Very low	36	Very low	119 Å²	119	74.3 Å²	74.3	56%	0.556	38%	0.381	S	S	*	.	H	α-helix	trans	-44.7	-46.3	-176.4	-93	-178	-16.5	0	0	115.5	F355 T362	F355-Q358 HydrophobicContact CD1-CG 4.27Å; F355-Q358 WeakPolarHBondContact O-CG 3.33Å; F355-Q358 PolarHBondContact O-N 3.13Å; Q358-T362 WeakPolarHBondContact O-CB 3.49Å; Q358-T362 PolarHBondContact O-N 2.63Å; Q358-T362 VanDerWaalsContact O-N 3.13Å; Q358-T362 PolarHBondContact O-OG1 3.43Å
359	L	31.9	Very low	36.2	Very low	145 Å²	145	80.1 Å²	80.1	76%	0.759	40%	0.404	S	S	*	.	H	α-helix	trans	-62	-44.9	175.8	-90.4	158.1	0	0	0	111.8	H357 Q363	H357-L359 VanDerWaalsContact C-N 3.32Å; H357-L359 PolarHBondContact O-N 2.7Å; H357-L359 VanDerWaalsContact O-N 3.11Å; L359-Q363 WeakPolarHBondContact O-CB 3.45Å; L359-Q363 PolarHBondContact O-N 3.26Å
360	K	35	Very low	36.1	Very low	114 Å²	114	83.5 Å²	83.5	50%	0.496	42%	0.422	S	S	.	.	H	α-helix	trans	-71.7	-38.8	-177.6	-162.5	172.5	-176.9	-179.3	0	112.7	H357 Q363 D364	H357-K360 WeakPolarHBondContact O-CA 3.39Å; H357-K360 PolarHBondContact O-N 3.05Å; K360-Q363 PolarHBondContact O-N 2.88Å; K360-D364 VanDerWaalsContact O-CB 3.25Å; K360-D364 WeakPolarHBondContact O-CB 3.4Å; K360-D364 VanDerWaalsContact O-CG 3.24Å; K360-D364 PolarHBondContact O-N 3.06Å
361	I	35.9	Very low	35.9	Very low	33 Å²	33	89.8 Å²	89.8	17%	0.169	45%	0.449	C	S	.	.	H	α-helix	trans	-63.9	-44.8	175.5	-65.3	168.2	0	0	0	110.6	L321 L354 H357 Q363 L365	L321-I361 HydrophobicContact CD1-CG1 4.13Å; L354-I361 HydrophobicContact CB-CD1 3.99Å; L354-I361 HydrophobicContact CD2-CD1 3.75Å; L354-I361 VanDerWaalsContact O-CD1 3.22Å; L354-I361 WeakPolarHBondContact O-CD1 3.23Å; H357-I361 HydrophobicContact CB-CD1 4.23Å; H357-I361 HydrophobicContact CB-CG1 4.27Å; H357-I361 PolarHBondContact O-N 3.16Å; I361-Q363 VanDerWaalsContact C-N 3.32Å; I361-Q363 PolarHBondContact O-N 3.35Å; I361-L365 HydrophobicContact CG2-CD1 3.92Å; I361-L365 WeakPolarHBondContact O-CB 3.35Å; I361-L365 WeakPolarHBondContact O-CG 3.22Å; I361-L365 PolarHBondContact O-N 3.29Å
362	T	34.7	Very low	35.9	Very low	76 Å²	76	93 Å²	93	47%	0.466	47%	0.465	S	S	.	.	H	α-helix	trans	-63.6	-41.7	177.6	-49.8	0	0	0	0	110.8	Q358 L366	Q358-T362 WeakPolarHBondContact O-CB 3.49Å; Q358-T362 PolarHBondContact O-N 2.63Å; Q358-T362 VanDerWaalsContact O-N 3.13Å; Q358-T362 PolarHBondContact O-OG1 3.43Å; T362-L366 HydrophobicContact CG2-CD1 4.12Å; T362-L366 WeakPolarHBondContact O-CB 3.23Å; T362-L366 WeakPolarHBondContact O-CD1 3.28Å; T362-L366 VanDerWaalsContact O-CG 3.24Å; T362-L366 WeakPolarHBondContact O-CG 3.24Å; T362-L366 PolarHBondContact O-N 2.86Å
363	Q	35	Very low	35.7	Very low	112 Å²	112	93.9 Å²	93.9	52%	0.523	48%	0.475	S	S	.	.	H	α-helix	trans	-74.3	-36.1	-178.5	-158.3	155.9	18.9	0	0	112.6	L359 K360 I361 L366 N367	L359-Q363 WeakPolarHBondContact O-CB 3.45Å; L359-Q363 PolarHBondContact O-N 3.26Å; K360-Q363 PolarHBondContact O-N 2.88Å; I361-Q363 VanDerWaalsContact C-N 3.32Å; I361-Q363 PolarHBondContact O-N 3.35Å; Q363-L366 PolarHBondContact O-N 2.99Å; Q363-N367 WeakPolarHBondContact O-CB 3.38Å; Q363-N367 PolarHBondContact O-N 3.16Å; Q363-N367 PolarHBondContact O-ND2 2.86Å; Q363-N367 VanDerWaalsContact O-ND2 3.13Å
364	D	38.5	Very low	35.3	Very low	62 Å²	62	99.7 Å²	99.7	33%	0.332	50%	0.497	S	S	.	.	H	α-helix	trans	-71	-35.9	174.2	-72.1	-16.6	0	0	0	111.6	K360 N367 Y368	K360-D364 VanDerWaalsContact O-CB 3.25Å; K360-D364 WeakPolarHBondContact O-CB 3.4Å; K360-D364 VanDerWaalsContact O-CG 3.24Å; K360-D364 PolarHBondContact O-N 3.06Å; D364-N367 PolarHBondContact O-N 3.4Å; D364-Y368 WeakPolarHBondContact O-CB 3.28Å; D364-Y368 PolarHBondContact O-N 2.73Å
365	L	35.8	Very low	34.8	Very low	61 Å²	61	106.7 Å²	106.7	32%	0.319	54%	0.535	S	S	.	.	H	α-helix	trans	-68.9	-36.5	171.4	-76.1	168.4	0	0	0	112.6	A328 I361 I390	A328-L365 HydrophobicContact CB-CD2 4.38Å; I361-L365 HydrophobicContact CG2-CD1 3.92Å; I361-L365 WeakPolarHBondContact O-CB 3.35Å; I361-L365 WeakPolarHBondContact O-CG 3.22Å; I361-L365 PolarHBondContact O-N 3.29Å; L365-I390 HydrophobicContact CB-CD1 4.48Å; L365-I390 HydrophobicContact CD1-CD1 3.98Å
366	L	34.2	Very low	34.3	Very low	91 Å²	91	112.2 Å²	112.2	48%	0.476	57%	0.567	S	S	.	*	H	α-helix	trans	-68.5	-37	171.3	-76	166.9	0	0	0	112	T362 Q363	T362-L366 HydrophobicContact CG2-CD1 4.12Å; T362-L366 WeakPolarHBondContact O-CB 3.23Å; T362-L366 WeakPolarHBondContact O-CD1 3.28Å; T362-L366 VanDerWaalsContact O-CG 3.24Å; T362-L366 WeakPolarHBondContact O-CG 3.24Å; T362-L366 PolarHBondContact O-N 2.86Å; Q363-L366 PolarHBondContact O-N 2.99Å
367	N	36.8	Very low	33.9	Very low	80 Å²	80	111 Å²	111	43%	0.428	56%	0.563	S	S	.	*	H	α-helix	trans	-75.2	-27.4	177.7	-72.6	-24.5	0	0	0	112.9	Q363 D364 K369 N370	Q363-N367 WeakPolarHBondContact O-CB 3.38Å; Q363-N367 PolarHBondContact O-N 3.16Å; Q363-N367 PolarHBondContact O-ND2 2.86Å; Q363-N367 VanDerWaalsContact O-ND2 3.13Å; D364-N367 PolarHBondContact O-N 3.4Å; N367-K369 PolarHBondContact O-N 3.38Å; N367-K369 VanDerWaalsContact O-N 3.16Å; N367-N370 WeakPolarHBondContact O-CB 3.47Å; N367-N370 PolarHBondContact O-N 2.83Å
368	Y	35.9	Very low	33.4	Very low	79 Å²	79	113.4 Å²	113.4	31%	0.31	58%	0.579	S	S	.	*	H	α-helix	trans	-60.5	-25.7	176.9	-158.1	-79.6	0	0	0	112	K329 D364 N370 H371 D372	K329-Y368 WeakPolarHBondContact CE-OH 3.38Å; K329-Y368 PolarHBondContact NZ-OH 3.49Å; D364-Y368 WeakPolarHBondContact O-CB 3.28Å; D364-Y368 PolarHBondContact O-N 2.73Å; Y368-N370 PolarHBondContact O-N 2.88Å; Y368-N370 VanDerWaalsContact O-N 3.13Å; Y368-H371 PolarHBondContact O-N 2.88Å; Y368-D372 WeakPolarHBondContact CE1-OD2 3.42Å; Y368-D372 PolarHBondContact OH-OD2 2.89Å
369	K	37.1	Very low	32.8	Very low	136 Å²	136	119 Å²	119	59%	0.591	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-15.5	170.9	-101.3	-176	175.5	-177.6	0	114.8	N367	N367-K369 PolarHBondContact O-N 3.38Å; N367-K369 VanDerWaalsContact O-N 3.16Å
370	N	33.5	Very low	32.3	Very low	126 Å²	126	122.2 Å²	122.2	67%	0.674	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	-1.8	-174.8	-66.5	-27.6	0	0	0	114.5	N367 Y368	N367-N370 WeakPolarHBondContact O-CB 3.47Å; N367-N370 PolarHBondContact O-N 2.83Å; Y368-N370 PolarHBondContact O-N 2.88Å; Y368-N370 VanDerWaalsContact O-N 3.13Å
371	H	34.7	Very low	31.6	Very low	157 Å²	157	125.9 Å²	125.9	73%	0.727	62%	0.619	S	S	*	*	S	Bend	trans	-114.7	-10.6	-167.8	-105.1	-63.1	0	0	0	118.2	Y368	Y368-H371 PolarHBondContact O-N 2.88Å
372	D	35.3	Very low	31.1	Very low	110 Å²	110	133.5 Å²	133.5	59%	0.588	65%	0.653	S	S	*	*	S	Bend	trans	-108.6	24.5	-177.8	-81.1	-31.5	0	0	0	113.7	Y368	Y368-D372 WeakPolarHBondContact CE1-OD2 3.42Å; Y368-D372 PolarHBondContact OH-OD2 2.89Å
373	N	29	Very low	30.5	Very low	154 Å²	154	139.3 Å²	139.3	82%	0.824	68%	0.675	S	S	*	*			trans	-118.2	62.8	176.9	-84.5	-36.1	0	0	0	112.9
374	E	28.8	Very low	30	Very low	172 Å²	172	138.6 Å²	138.6	80%	0.804	68%	0.683	S	S	*	*			trans	-102.7	136.1	152.4	-73.5	-165.8	157	0	0	109.3
375	N	28.7	Very low	29.4	Very low	154 Å²	154	141 Å²	141	82%	0.824	71%	0.705	S	S	*	*	S	Bend	trans	65.6	68	171	-48.8	-49.5	0	0	0	117.4
376	D	29.9	Very low	29	Very low	165 Å²	165	142 Å²	142	88%	0.882	71%	0.713	S	S	*	*				-152.8	133.2	110.8	-137.5	-19.5	0	0	0	113.1
377	S	27.2	Very low	28.6	Very low	89 Å²	89	143.6 Å²	143.6	62%	0.622	72%	0.722	S	S	*	*			trans	-98.7	155.3	-173.8	63.2	0	0	0	0	111.6
378	N	26.1	Very low	28.2	Very low	146 Å²	146	141.3 Å²	141.3	78%	0.781	72%	0.717	S	S	*	*			trans	80.5	71.8	174.9	-50.3	-56.4	0	0	0	117.9
379	R	24.4	Very low	27.8	Very low	236 Å²	236	140.2 Å²	140.2	89%	0.891	72%	0.721	S	S	*	*			trans	-153.7	106.3	133.6	-108.1	159.4	-162.4	-154.2	3.8	111	F381	R379-F381 PolarHBondContact O-N 3.12Å
380	K	21.1	Very low	27.5	Very low	213 Å²	213	137.1 Å²	137.1	93%	0.926	71%	0.71	S	S	*	*			trans	-67.9	116.6	172.8	-67.5	-178	-179.1	-177.7	0	109.5
381	F	21.7	Very low	27.3	Very low	192 Å²	192	135.3 Å²	135.3	84%	0.842	70%	0.7	S	S	*	*			trans	-123.1	142.4	156.9	-97.5	-87.2	0	0	0	108.5	R379 Q383	R379-F381 PolarHBondContact O-N 3.12Å; F381-Q383 PolarHBondContact O-N 2.65Å
382	H	24.7	Very low	27.1	Very low	192 Å²	192	131.4 Å²	131.4	89%	0.889	69%	0.69	S	S	*	*			trans	-59.8	135.2	-174.8	-86.6	-98.6	0	0	0	111.9	S384	H382-S384 PolarHBondContact O-N 3.29Å
383	Q	21.8	Very low	27	Very low	199 Å²	199	131.9 Å²	131.9	93%	0.93	69%	0.688	S	S	*	*			trans	-65.9	120.7	169.8	-72.9	169	-50.9	0	0	110	F381	F381-Q383 PolarHBondContact O-N 2.65Å
384	S	23.8	Very low	27.1	Very low	97 Å²	97	128.1 Å²	128.1	68%	0.678	67%	0.668	S	S	*	*			trans	-131.2	138.9	150	64.3	0	0	0	0	108.6	H382 T386	H382-S384 PolarHBondContact O-N 3.29Å; S384-T386 PolarHBondContact O-N 3.05Å; S384-T386 VanDerWaalsContact O-N 3.1Å
385	S	26	Very low	27.3	Very low	113 Å²	113	120.5 Å²	120.5	79%	0.79	63%	0.634	S	S	*	*			trans	-67.8	104.5	-175.1	36.8	0	0	0	0	111	N387	S385-N387 PolarHBondContact O-N 3.35Å
386	T	27.4	Very low	27.6	Very low	80 Å²	80	118.9 Å²	118.9	49%	0.491	63%	0.625	S	S	.	*			trans	-96	87.7	179.6	40.1	0	0	0	0	111	S384 G388	S384-T386 PolarHBondContact O-N 3.05Å; S384-T386 VanDerWaalsContact O-N 3.1Å; T386-G388 PolarHBondContact O-N 3.26Å
387	N	27	Very low	27.7	Very low	125 Å²	125	114.2 Å²	114.2	67%	0.668	60%	0.603	S	S	*	*			trans	-72	92.9	171	-77.7	-7.7	0	0	0	109.5	S385 S389 Q408	S385-N387 PolarHBondContact O-N 3.35Å; N387-S389 PolarHBondContact O-N 3.42Å; N387-Q408 PolarHBondContact O-OE1 3.08Å
388	G	27.4	Very low	28	Very low	32 Å²	32	114.4 Å²	114.4	33%	0.33	60%	0.597	S	S	.	*			trans	-72	111.6	169.5	0	0	0	0	0	109.9	T386	T386-G388 PolarHBondContact O-N 3.26Å
389	S	28.8	Very low	28.4	Very low	57 Å²	57	112.4 Å²	112.4	40%	0.399	59%	0.586	S	S	.	*			trans	-78.5	122.6	171.3	36.7	0	0	0	0	110.2	N387	N387-S389 PolarHBondContact O-N 3.42Å
390	I	29.6	Very low	28.6	Very low	70 Å²	70	102 Å²	102	36%	0.359	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	113.7	162.4	-60.6	176.8	0	0	0	106.3	L365 L403	L365-I390 HydrophobicContact CB-CD1 4.48Å; L365-I390 HydrophobicContact CD1-CD1 3.98Å; I390-L403 HydrophobicContact CG2-CD1 4.11Å; I390-L403 HydrophobicContact CG2-CG 4.04Å
391	L	30.1	Very low	29.3	Very low	89 Å²	89	94.1 Å²	94.1	47%	0.466	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	103.6	171.2	-95.4	157.5	0	0	0	108.1	H393 H402 L404	L391-H393 PolarHBondContact O-N 2.96Å; L391-H402 VanDerWaalsContact O-O 3.1Å; L391-L404 HydrophobicContact CB-CB 3.72Å; L391-L404 PolarHBondContact N-O 2.9Å; L391-L404 VanDerWaalsContact N-O 3.13Å; L391-L404 PolarHBondContact O-N 2.8Å
392	C	29.9	Very low	29.8	Very low	75 Å²	75	86.2 Å²	86.2	51%	0.507	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	100.8	165.7	-68.6	0	0	0	0	108.3	H402	C392-H402 WeakPolarHBondContact CA-O 3.48Å
393	H	34.1	Very low	30.1	Very low	120 Å²	120	78.5 Å²	78.5	56%	0.556	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	119	171.1	-163.5	-72.5	0	0	0	108.8	L391 S395 H402	L391-H393 PolarHBondContact O-N 2.96Å; H393-S395 PolarHBondContact O-N 3.12Å; H393-H402 HydrophobicContact CB-CB 4.13Å; H393-H402 PolarHBondContact N-O 2.79Å; H393-H402 PolarHBondContact O-N 3.42Å
394	N	30.8	Very low	30.6	Very low	75 Å²	75	71.1 Å²	71.1	40%	0.401	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	111.9	166.2	-169.8	9.3	0	0	0	107.4	N396 W401	N394-N396 PolarHBondContact O-N 2.93Å; N394-W401 HydrophobicContact CB-CE3 4.29Å; N394-W401 HydrophobicContact CB-CH2 3.62Å; N394-W401 HydrophobicContact CB-CZ3 3.51Å; N394-W401 VanDerWaalsContact CG-CH2 3.46Å
395	S	32.8	Very low	30.9	Very low	11 Å²	11	68.6 Å²	68.6	8%	0.077	39%	0.393	C	S	.	.			trans	-75.6	124.2	165.1	71.4	0	0	0	0	106.7	H393 T397 S400	H393-S395 PolarHBondContact O-N 3.12Å; S395-T397 WeakPolarHBondContact CB-OG1 3.36Å; S395-T397 CarbonylContact O-C 3.59Å; S395-T397 PolarHBondContact O-N 3.12Å; S395-T397 VanDerWaalsContact O-O 3.12Å; S395-T397 PolarHBondContact OG-O 3.29Å; S395-T397 PolarHBondContact OG-OG1 3.49Å; S395-S400 PolarHBondContact OG-O 3.22Å; S395-S400 PolarHBondContact OG-OG 3.4Å
396	N	34.3	Very low	31.1	Very low	120 Å²	120	65 Å²	65	64%	0.642	37%	0.367	S	S	*	.	S	Bend	trans	-63.6	5.5	178.5	-70.1	-0.2	0	0	0	113.5	N394	N394-N396 PolarHBondContact O-N 2.93Å
397	T	33.8	Very low	31.4	Very low	67 Å²	67	67.8 Å²	67.8	41%	0.411	38%	0.375	S	S	.	.	S	Bend	trans	-90.2	107	161.6	43.5	0	0	0	0	109	S395 S400	S395-T397 WeakPolarHBondContact CB-OG1 3.36Å; S395-T397 CarbonylContact O-C 3.59Å; S395-T397 PolarHBondContact O-N 3.12Å; S395-T397 VanDerWaalsContact O-O 3.12Å; S395-T397 PolarHBondContact OG-O 3.29Å; S395-T397 PolarHBondContact OG-OG1 3.49Å; T397-S400 PolarHBondContact O-OG 2.86Å
398	N	33.5	Very low	31.6	Very low	94 Å²	94	66.8 Å²	66.8	50%	0.503	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.6	144.2	176.8	-97.7	-20.5	0	0	0	112.5	H96	H96-N398 PolarHBondContact CD2-ND2 2.82Å; H96-N398 PolarHBondContact CE1-ND2 3.15Å; H96-N398 PolarHBondContact ND1-ND2 3.41Å; H96-N398 PolarHBondContact NE2-ND2 3.46Å
399	L	33.5	Very low	31.6	Very low	104 Å²	104	69.7 Å²	69.7	55%	0.545	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.4	-25.8	179.1	-49	174.7	0	0	0	117.3	L347 A348 N349	L347-L399 VanDerWaalsContact O-O 3.13Å; A348-L399 CarbonylContact C-O 3.52Å; A348-L399 VanDerWaalsContact CA-O 3.24Å; A348-L399 WeakPolarHBondContact CA-O 3.21Å; N349-L399 PolarHBondContact N-O 3.4Å; N349-L399 WeakPolarHBondContact OD1-CD1 3.46Å; N349-L399 WeakPolarHBondContact OD1-CD2 3.45Å
400	S	29.6	Very low	31.7	Very low	17 Å²	17	72.3 Å²	72.3	12%	0.119	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	122	-178.2	45.2	0	0	0	0	115.3	L347 S395 T397	L347-S400 WeakPolarHBondContact O-CA 3.46Å; S395-S400 PolarHBondContact OG-O 3.22Å; S395-S400 PolarHBondContact OG-OG 3.4Å; T397-S400 PolarHBondContact O-OG 2.86Å
401	W	34.6	Very low	31.7	Very low	48 Å²	48	77.9 Å²	77.9	18%	0.182	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.9	170.8	-67.9	86.5	0	0	0	111.5	L347 V350 F355 N394	L347-W401 HydrophobicContact CB-CB 4.31Å; L347-W401 PolarHBondContact N-O 2.95Å; L347-W401 PolarHBondContact O-N 3.41Å; V350-W401 HydrophobicContact CG2-CG 4.32Å; F355-W401 HydrophobicContact CD1-CH2 4.3Å; F355-W401 HydrophobicContact CD1-CZ2 4.46Å; F355-W401 HydrophobicContact CE1-CD2 4.49Å; F355-W401 HydrophobicContact CE1-CE3 4.27Å; F355-W401 AromaticContact CE1-CH2 3.31Å; F355-W401 HydrophobicContact CE1-CH2 3.31Å; F355-W401 AromaticContact CE1-CZ2 3.57Å; F355-W401 HydrophobicContact CE1-CZ2 3.57Å; F355-W401 AromaticContact CE1-CZ3 3.68Å; F355-W401 HydrophobicContact CE1-CZ3 3.68Å; F355-W401 HydrophobicContact CE2-CD2 4.34Å; F355-W401 AromaticContact CE2-CE2 3.68Å; F355-W401 HydrophobicContact CE2-CH2 4.29Å; F355-W401 AromaticContact CE2-CZ2 3.68Å; F355-W401 HydrophobicContact CE2-CZ2 3.68Å; F355-W401 AromaticContact CE2-NE1 3.85Å; F355-W401 AromaticContact CZ-CD2 3.63Å; F355-W401 HydrophobicContact CZ-CD2 3.63Å; F355-W401 AromaticContact CZ-CE2 3.26Å; F355-W401 AromaticContact CZ-CE3 3.8Å; F355-W401 HydrophobicContact CZ-CE3 3.8Å; F355-W401 HydrophobicContact CZ-CG 4.48Å; F355-W401 AromaticContact CZ-CH2 3.33Å; F355-W401 HydrophobicContact CZ-CH2 3.33Å; F355-W401 AromaticContact CZ-CZ2 3.13Å; F355-W401 HydrophobicContact CZ-CZ2 3.13Å; F355-W401 AromaticContact CZ-CZ3 3.65Å; F355-W401 HydrophobicContact CZ-CZ3 3.65Å; F355-W401 AromaticContact CZ-NE1 3.88Å; N394-W401 HydrophobicContact CB-CE3 4.29Å; N394-W401 HydrophobicContact CB-CH2 3.62Å; N394-W401 HydrophobicContact CB-CZ3 3.51Å; N394-W401 VanDerWaalsContact CG-CH2 3.46Å
402	H	33.1	Very low	31.6	Very low	25 Å²	25	79.7 Å²	79.7	12%	0.116	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	117.5	175	-61.4	-114.2	0	0	0	109	E344 W346 L391 C392 H393	E344-H402 VanDerWaalsContact CD-ND1 3.32Å; E344-H402 IonicContact OE1-CE1 3.68Å; E344-H402 IonicContact OE1-CG 3.18Å; E344-H402 IonicContact OE1-ND1 2.67Å; E344-H402 PolarHBondContact OE1-ND1 3.46Å; E344-H402 IonicContact OE2-ND1 3.87Å; W346-H402 AromaticContact CE2-CE1 3.76Å; W346-H402 AromaticContact CZ2-CE1 3.68Å; L391-H402 VanDerWaalsContact O-O 3.1Å; C392-H402 WeakPolarHBondContact CA-O 3.48Å; H393-H402 HydrophobicContact CB-CB 4.13Å; H393-H402 PolarHBondContact N-O 2.79Å; H393-H402 PolarHBondContact O-N 3.42Å
403	L	31.5	Very low	31.4	Very low	30 Å²	30	81.3 Å²	81.3	16%	0.157	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	103	168.9	-146.9	95	0	0	0	109	V345 L347 I390	V345-L403 HydrophobicContact CB-CB 4.02Å; V345-L403 PolarHBondContact N-O 2.77Å; V345-L403 PolarHBondContact O-N 3.03Å; L347-L403 HydrophobicContact CD1-CD1 4.17Å; I390-L403 HydrophobicContact CG2-CD1 4.11Å; I390-L403 HydrophobicContact CG2-CG 4.04Å
404	L	31.2	Very low	31.1	Very low	45 Å²	45	82 Å²	82	24%	0.236	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	105.7	170.7	-107.2	115.7	0	0	0	110.3	F342 L391	F342-L404 HydrophobicContact CD1-CD2 4Å; L391-L404 HydrophobicContact CB-CB 3.72Å; L391-L404 PolarHBondContact N-O 2.9Å; L391-L404 VanDerWaalsContact N-O 3.13Å; L391-L404 PolarHBondContact O-N 2.8Å
405	C	30.9	Very low	30.8	Very low	43 Å²	43	83.1 Å²	83.1	29%	0.291	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	104	167.7	-99.4	0	0	0	0	110.3	I337	I337-C405 HydrophobicContact CD1-CB 3.77Å; I337-C405 HydrophobicContact CG1-CB 4.14Å
406	C	30.1	Very low	30.5	Very low	39 Å²	39	86.3 Å²	86.3	26%	0.264	45%	0.453	S	S	.	.			trans	-99.7	120.3	174.3	-165.3	0	0	0	0	111.3
407	Q	32.2	Very low	30.1	Very low	138 Å²	138	86.7 Å²	86.7	65%	0.645	46%	0.455	S	S	*	.			trans	-81.9	117.9	163.6	-172.9	172.4	5.1	0	0	108.2	I337 D409	I337-Q407 HydrophobicContact CG2-CB 4.2Å; I337-Q407 PolarHBondContact O-OE1 2.68Å; Q407-D409 PolarHBondContact O-N 3.21Å
408	Q	31.4	Very low	29.8	Very low	104 Å²	104	87.9 Å²	87.9	49%	0.486	46%	0.462	S	S	.	.			trans	-61.4	96.9	173.7	-96.7	-175.1	-23.3	0	0	110.4	N387	N387-Q408 PolarHBondContact O-OE1 3.08Å
409	D	28.5	Very low	29.4	Very low	93 Å²	93	90.3 Å²	90.3	50%	0.497	47%	0.472	S	S	.	.			trans	-76.4	136.2	157.6	-163.1	-8.8	0	0	0	107.9	Q407 R411 L412	Q407-D409 PolarHBondContact O-N 3.21Å; D409-R411 PolarHBondContact O-N 2.86Å; D409-L412 PolarHBondContact O-N 2.9Å
410	S	31.4	Very low	28.9	Very low	112 Å²	112	91 Å²	91	78%	0.783	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	24.9	-163.5	53	0	0	0	0	114.9
411	R	29.6	Very low	28.7	Very low	187 Å²	187	98.6 Å²	98.6	71%	0.706	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.6	-6.7	-174.8	-50.8	-176.6	-162.3	-160.2	0.8	113.5	D409 T413 K957	D409-R411 PolarHBondContact O-N 2.86Å; R411-T413 PolarHBondContact O-N 3.01Å; R411-K957 PolarHBondContact O-NZ 3.11Å
412	L	26.7	Very low	28.3	Very low	127 Å²	127	101 Å²	101	67%	0.665	53%	0.53	S	S	*	.			trans	-95.5	45.3	-178	-83.2	163.4	0	0	0	113.6	D409 K414	D409-L412 PolarHBondContact O-N 2.9Å; L412-K414 PolarHBondContact O-N 3.4Å; L412-K414 VanDerWaalsContact O-N 3.13Å
413	T	25.9	Very low	27.8	Very low	108 Å²	108	106.7 Å²	106.7	66%	0.663	56%	0.56	S	S	*	*			trans	-82.1	79.8	169.7	41.2	0	0	0	0	111.2	R411	R411-T413 PolarHBondContact O-N 3.01Å
414	K	27	Very low	27.5	Very low	136 Å²	136	111.7 Å²	111.7	59%	0.591	59%	0.587	S	S	*	*			trans	168.2	76.1	156.1	-94.7	166.4	-167.2	-174.4	0	110.3	L412 N953	L412-K414 PolarHBondContact O-N 3.4Å; L412-K414 VanDerWaalsContact O-N 3.13Å; K414-N953 PolarHBondContact NZ-OD1 3.24Å
415	I	26.2	Very low	27.3	Very low	97 Å²	97	114 Å²	114	50%	0.497	61%	0.607	S	S	.	*			trans	-83.6	131.5	152	-65.1	172.1	0	0	0	105.9	N417	I415-N417 PolarHBondContact O-N 2.98Å
416	P	26.1	Very low	26.9	Very low	78 Å²	78	118.6 Å²	118.6	51%	0.506	63%	0.629	S	S	.	*			trans	-61.5	127.9	176.9	-23.7	34.8	0	0	0	111.5	T418 M419	P416-T418 VanDerWaalsContact CB-OG1 3.31Å; P416-T418 WeakPolarHBondContact CB-OG1 3.31Å; P416-T418 PolarHBondContact O-N 3.31Å; P416-M419 PolarHBondContact O-N 3.15Å
417	N	26.6	Very low	26.8	Very low	129 Å²	129	122.7 Å²	122.7	69%	0.69	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-14.8	175.5	-77.4	-17.5	0	0	0	113.3	I415 M419 L420 K421	I415-N417 PolarHBondContact O-N 2.98Å; N417-M419 VanDerWaalsContact C-N 3.33Å; N417-L420 PolarHBondContact O-N 3.34Å; N417-K421 PolarHBondContact O-N 3Å
418	T	27.3	Very low	26.3	Very low	92 Å²	92	121.1 Å²	121.1	56%	0.564	66%	0.657	S	S	*	*	H	α-helix	trans	-63.6	-31.4	172.2	42.1	0	0	0	0	113.4	P416	P416-T418 VanDerWaalsContact CB-OG1 3.31Å; P416-T418 WeakPolarHBondContact CB-OG1 3.31Å; P416-T418 PolarHBondContact O-N 3.31Å
419	M	24.6	Very low	26	Very low	145 Å²	145	126 Å²	126	71%	0.714	68%	0.677	S	S	*	*	H	α-helix	trans	-74.4	-24	175	-85.9	-169.1	175.4	0	0	113.8	P416 N417	P416-M419 PolarHBondContact O-N 3.15Å; N417-M419 VanDerWaalsContact C-N 3.33Å
420	L	23.7	Very low	25.6	Very low	119 Å²	119	126.2 Å²	126.2	62%	0.623	68%	0.682	S	S	*	*	H	α-helix	trans	-90.2	-21.7	178.9	-95.4	121.7	0	0	0	113.7	N417	N417-L420 PolarHBondContact O-N 3.34Å
421	K	24.6	Very low	25.2	Very low	175 Å²	175	129.5 Å²	129.5	76%	0.761	68%	0.682	S	S	*	*	H	α-helix	trans	-75.5	-24.9	-179.2	-89.7	-169.2	169	-170.3	0	114.7	N417 L423	N417-K421 PolarHBondContact O-N 3Å; K421-L423 VanDerWaalsContact C-N 3.27Å; K421-L423 PolarHBondContact O-N 2.69Å
422	C	25.1	Very low	24.9	Very low	100 Å²	100	125.5 Å²	125.5	68%	0.676	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	2.8	-176.5	-60.7	0	0	0	0	114.9
423	L	24.4	Very low	24.6	Very low	144 Å²	144	126.5 Å²	126.5	75%	0.754	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.2	4.1	-171.8	-82.8	165	0	0	0	114.8	K421	K421-L423 VanDerWaalsContact C-N 3.27Å; K421-L423 PolarHBondContact O-N 2.69Å
424	N	24.4	Very low	24.6	Very low	134 Å²	134	127.8 Å²	127.8	72%	0.717	69%	0.692	S	S	*	*	S	Bend	trans	-138.5	140.3	-177.1	-105	-29.4	0	0	0	114.5
425	S	26.3	Very low	24.4	Very low	94 Å²	94	125 Å²	125	66%	0.657	68%	0.681	S	S	*	*			trans	58.3	94.5	159.7	54.2	0	0	0	0	118.3	T427	S425-T427 PolarHBondContact O-N 2.82Å
426	N	23.3	Very low	24.6	Very low	140 Å²	140	124.1 Å²	124.1	75%	0.749	68%	0.682	S	S	*	*				-46	115.8	126.2	-73	-42.9	0	0	0	109.9
427	T	28.2	Very low	24.5	Very low	125 Å²	125	125.5 Å²	125.5	77%	0.767	68%	0.681	S	S	*	*			trans	-161.3	118.4	150.7	25.7	0	0	0	0	108.9	S425	S425-T427 PolarHBondContact O-N 2.82Å
428	S	22.1	Very low	24.4	Very low	105 Å²	105	125.6 Å²	125.6	73%	0.734	69%	0.687	S	S	*	*			trans	-70	141	172	51.7	0	0	0	0	112.1
429	F	24.1	Very low	24.2	Very low	206 Å²	206	126.1 Å²	126.1	90%	0.904	69%	0.694	S	S	*	*			trans	-149.2	129.3	145	-101.8	-74.5	0	0	0	111.3
430	T	20	Very low	24.3	Very low	97 Å²	97	126.5 Å²	126.5	60%	0.595	70%	0.698	S	S	*	*			trans	-95.4	-171.3	167.1	41.1	0	0	0	0	110.1
431	F	24	Very low	24.3	Very low	182 Å²	182	128.2 Å²	128.2	80%	0.798	71%	0.708	S	S	*	*			trans	84.6	113.6	-170.2	-65.8	-95.1	0	0	0	113
432	V	22.1	Very low	24.3	Very low	103 Å²	103	129 Å²	129	62%	0.624	71%	0.708	S	S	*	*				72.8	106.2	56.2	179.3	0	0	0	0	111.8
433	D	20.8	Very low	24.1	Very low	147 Å²	147	132 Å²	132	79%	0.786	72%	0.716	S	S	*	*			trans	39.2	158	156.3	-73.3	-45.6	0	0	0	122.9
434	T	25.2	Very low	24	Very low	135 Å²	135	136.2 Å²	136.2	83%	0.828	72%	0.724	S	S	*	*			trans	85.8	106.6	173.6	67	0	0	0	0	118.1
435	H	23	Very low	24	Very low	79 Å²	79	135 Å²	135	37%	0.366	73%	0.725	S	S	.	*			trans	-29.6	170.5	146	-76.4	-83	0	0	0	117.1	H868	H435-H868 AromaticContact CE1-CD2 3.19Å; H435-H868 PolarHBondContact CE1-CD2 2.79Å; H435-H868 AromaticContact CE1-CG 3.5Å; H435-H868 PolarHBondContact CE1-N 3.4Å; H435-H868 AromaticContact ND1-CD2 3.18Å; H435-H868 PolarHBondContact ND1-CD2 2.68Å; H435-H868 AromaticContact ND1-CG 3.67Å; H435-H868 AromaticContact ND1-NE2 3.63Å
436	P	30.4	Very low	24	Very low	78 Å²	78	137.6 Å²	137.6	51%	0.506	73%	0.727	S	S	.	*			cis	-136.4	-172.2	-24.7	33.6	-13.4	0	0	0	113.1
437	E	24.6	Very low	24.1	Very low	106 Å²	106	139.2 Å²	139.2	50%	0.495	73%	0.727	S	S	.	*			trans	8.6	122.9	147.4	-59.5	176.4	-175.8	0	0	119.3	P866	E437-P866 WeakPolarHBondContact OE2-CG 3.38Å
438	T	24.5	Very low	24.1	Very low	131 Å²	131	138 Å²	138	80%	0.804	72%	0.724	S	S	*	*				-178	141.3	106	25.3	0	0	0	0	113.1
439	S	23.5	Very low	24.3	Very low	103 Å²	103	141.5 Å²	141.5	72%	0.72	73%	0.729	S	S	*	*			trans	8.7	127	156.3	56.2	0	0	0	0	120.3
440	L	25.4	Very low	24.5	Very low	153 Å²	153	137.5 Å²	137.5	80%	0.801	72%	0.722	S	S	*	*			trans	-133.7	55	154.5	-125.6	162.5	0	0	0	111.5	Y442	L440-Y442 HydrophobicContact CD2-CD2 3.88Å; L440-Y442 HydrophobicContact CD2-CG 4.3Å; L440-Y442 PolarHBondContact O-N 3.04Å
441	D	23.8	Very low	24.8	Very low	155 Å²	155	137.6 Å²	137.6	83%	0.829	73%	0.726	S	S	*	*			trans	-67.3	103.6	151	-81.7	-47.2	0	0	0	108
442	Y	24.6	Very low	25	Very low	193 Å²	193	136.4 Å²	136.4	76%	0.757	73%	0.727	S	S	*	*			trans	-139.9	88.3	166.7	-103.2	-88.3	0	0	0	110.6	L440	L440-Y442 HydrophobicContact CD2-CD2 3.88Å; L440-Y442 HydrophobicContact CD2-CG 4.3Å; L440-Y442 PolarHBondContact O-N 3.04Å
443	L	21.9	Very low	25.3	Very low	161 Å²	161	136.6 Å²	136.6	84%	0.843	73%	0.73	S	S	*	*	S	Bend	trans	-155.1	129.2	132.8	-97.5	170	0	0	0	106
444	Y	22.7	Very low	25.5	Very low	234 Å²	234	137 Å²	137	92%	0.918	73%	0.731	S	S	*	*			trans	79.6	89.8	-168.2	-60.7	-82.4	0	0	0	117.2
445	S	23.8	Very low	25.6	Very low	107 Å²	107	139.4 Å²	139.4	75%	0.748	73%	0.73	S	S	*	*			trans	-147.1	130.5	147.6	179.8	0	0	0	0	109.3
446	E	27.2	Very low	25.8	Very low	150 Å²	150	144.9 Å²	144.9	70%	0.701	75%	0.753	S	S	*	*			trans	-97.6	126.9	168.9	-76.8	-165.8	91.9	0	0	109.9
447	K	24.6	Very low	25.8	Very low	173 Å²	173	150.3 Å²	150.3	75%	0.752	77%	0.772	S	S	*	*			trans	64.5	140	153.2	-59.2	155.4	-175.8	154.2	0	115.5
448	S	28.2	Very low	25.8	Very low	100 Å²	100	151.5 Å²	151.5	70%	0.699	79%	0.786	S	S	*	*			cis	-166.1	150.7	10.5	43.2	0	0	0	0	110.4
449	E	25.4	Very low	26.1	Very low	178 Å²	178	155.3 Å²	155.3	83%	0.832	79%	0.792	S	S	*	*			trans	32.5	133.5	139.5	-67.2	167.4	-171.6	0	0	120
450	T	29.2	Very low	26.3	Very low	123 Å²	123	157.2 Å²	157.2	76%	0.755	79%	0.794	S	S	*	*			cis	-169.6	148.3	28	5.5	0	0	0	0	113.7
451	S	25.3	Very low	26.5	Very low	99 Å²	99	160.2 Å²	160.2	69%	0.692	80%	0.796	S	S	*	*			trans	-2.7	154.4	150.7	63.4	0	0	0	0	122.2
452	I	28.1	Very low	27.1	Very low	157 Å²	157	158.2 Å²	158.2	81%	0.805	79%	0.791	S	S	*	*			cis	-163.3	154.7	47.2	-65.2	173.5	0	0	0	111.5
453	P	29.9	Very low	27.2	Very low	107 Å²	107	156.4 Å²	156.4	70%	0.695	80%	0.795	S	S	*	*			trans	-119.9	-167.1	-176.9	43.8	-33	0	0	0	118
454	L	24	Very low	27.8	Very low	154 Å²	154	156.9 Å²	156.9	81%	0.806	80%	0.798	S	S	*	*			trans	100.6	146	171.2	-61	141.6	0	0	0	115.7
455	K	28.4	Very low	28	Very low	187 Å²	187	155 Å²	155	81%	0.813	80%	0.795	S	S	*	*			cis	-160.6	164.9	21.4	-137.9	166.1	-171.1	179.7	0	114.4
456	K	26.5	Very low	28.3	Very low	193 Å²	193	158.4 Å²	158.4	84%	0.839	80%	0.799	S	S	*	*			trans	-54.5	161.9	-177.3	-56.6	170.1	169.6	-175.2	0	119.3
457	E	29.5	Very low	28.4	Very low	192 Å²	192	157.6 Å²	157.6	90%	0.897	80%	0.799	S	S	*	*				-170.5	161.2	114.4	-105.1	172.3	-154.4	0	0	115
458	T	26.1	Very low	28.5	Very low	132 Å²	132	154.4 Å²	154.4	81%	0.81	79%	0.794	S	S	*	*			trans	-134.1	158.1	-167.4	43.6	0	0	0	0	113.1
459	K	30.4	Very low	28.5	Very low	210 Å²	210	158.9 Å²	158.9	91%	0.913	80%	0.804	S	S	*	*			trans	-159.6	145.4	164.3	-110	168.5	-171.4	176.6	0	114.4
460	D	27.1	Very low	28.5	Very low	143 Å²	143	158.5 Å²	158.5	77%	0.765	80%	0.802	S	S	*	*			trans	-104.4	-174.5	-170.5	-54.6	-78	0	0	0	115.6
461	Y	29.6	Very low	28.4	Very low	217 Å²	217	157.7 Å²	157.7	85%	0.851	81%	0.807	S	S	*	*			trans	125.1	149.1	154.1	-79.3	-87	0	0	0	116.4
462	P	35.8	Very low	28.3	Very low	112 Å²	112	161.1 Å²	161.1	73%	0.727	81%	0.812	S	S	*	*				-137.8	-159.5	-119.9	39.3	-14.9	0	0	0	116.1
463	D	27.7	Very low	28.3	Very low	155 Å²	155	160.7 Å²	160.7	83%	0.829	82%	0.817	S	S	*	*			trans	-56.3	155.4	-173.6	-61.4	-56.5	0	0	0	118.6
464	D	33.4	Very low	28	Very low	171 Å²	171	162.2 Å²	162.2	91%	0.914	82%	0.82	S	S	*	*			trans	-135.1	153	155.2	-100.9	-39.2	0	0	0	111.8
465	K	26.8	Very low	28.2	Very low	195 Å²	195	162 Å²	162	85%	0.848	82%	0.824	S	S	*	*			trans	-111.9	173.8	-177.3	-68.2	176.3	177.5	173.8	0	112
466	E	31.8	Very low	27.9	Very low	179 Å²	179	158.2 Å²	158.2	84%	0.836	82%	0.822	S	S	*	*			trans	124.9	149.3	158.6	-72	-167.3	166.1	0	0	112.4
467	N	29.5	Very low	27.9	Very low	132 Å²	132	154.6 Å²	154.6	71%	0.706	82%	0.818	S	S	*	*			cis	-171.4	131	-25.9	-108.2	-24.5	0	0	0	107
468	V	24.9	Very low	27.6	Very low	107 Å²	107	153.3 Å²	153.3	65%	0.648	82%	0.816	S	S	*	*			trans	14.3	131.7	149.5	-177.9	0	0	0	0	120.5
469	H	30.1	Very low	27.4	Very low	194 Å²	194	155 Å²	155	90%	0.898	82%	0.82	S	S	*	*				-160.7	138.3	127.2	-105.3	-67.8	0	0	0	114.1
470	H	23.9	Very low	27.2	Very low	170 Å²	170	152.9 Å²	152.9	79%	0.787	82%	0.817	S	S	*	*			trans	-88.1	153.4	179.5	-76.7	-100.2	0	0	0	113.6
471	A	27.5	Very low	27	Very low	105 Å²	105	149.7 Å²	149.7	87%	0.868	81%	0.807	S	S	*	*			trans	-153	125.1	145.9	0	0	0	0	0	111
472	E	22.4	Very low	26.8	Very low	172 Å²	172	146 Å²	146	80%	0.804	81%	0.807	S	S	*	*			trans	-93.6	155.2	174	-58.7	176.6	135.7	0	0	111.1
473	T	28.5	Very low	26.3	Very low	147 Å²	147	150.7 Å²	150.7	90%	0.902	81%	0.81	S	S	*	*			trans	-167	146.8	135.6	9.4	0	0	0	0	112.5
474	N	23.6	Very low	26.1	Very low	140 Å²	140	149.6 Å²	149.6	75%	0.749	81%	0.809	S	S	*	*			trans	-86.1	157	-167.7	-64.7	-68.8	0	0	0	114.5
475	T	28.9	Very low	25.7	Very low	148 Å²	148	147.2 Å²	147.2	91%	0.908	80%	0.801	S	S	*	*				-175.6	147.3	109.7	26	0	0	0	0	113.2
476	S	22.3	Very low	25.6	Very low	109 Å²	109	142.5 Å²	142.5	76%	0.762	79%	0.792	S	S	*	*			trans	-97.4	175	-166.8	-40.3	0	0	0	0	113.5
477	P	25	Very low	25.2	Very low	117 Å²	117	139.4 Å²	139.4	76%	0.76	79%	0.79	S	S	*	*				-144.3	136.1	79.7	34.3	-15.5	0	0	0	117.6
478	L	23.2	Very low	25	Very low	164 Å²	164	138.5 Å²	138.5	86%	0.859	79%	0.79	S	S	*	*			trans	50.3	95	140.3	-61.9	168.5	0	0	0	120.1
479	L	23	Very low	25	Very low	168 Å²	168	140.2 Å²	140.2	88%	0.88	80%	0.795	S	S	*	*			trans	-122	124.2	152.4	-92.9	162	0	0	0	108.5
480	L	25.4	Very low	24.9	Very low	165 Å²	165	137.5 Å²	137.5	86%	0.864	79%	0.792	S	S	*	*			trans	-84.4	136.6	167.3	-126	77.6	0	0	0	109.1
481	S	23.6	Very low	24.9	Very low	77 Å²	77	136.1 Å²	136.1	54%	0.538	79%	0.79	S	S	.	*			trans	-124.5	131.8	-153.7	63.1	0	0	0	0	115
482	T	25.4	Very low	24.9	Very low	140 Å²	140	138.6 Å²	138.6	86%	0.859	79%	0.789	S	S	*	*			trans	-89.3	87.4	143.6	44	0	0	0	0	108.5	T484	T482-T484 PolarHBondContact O-N 2.98Å; T482-T484 VanDerWaalsContact O-N 3.17Å
483	R	24.9	Very low	25	Very low	209 Å²	209	137.6 Å²	137.6	79%	0.789	79%	0.789	S	S	*	*			trans	-67.7	110.5	-179.5	-100.9	177.9	171.2	172.6	-3.5	111.1
484	T	23.9	Very low	24.9	Very low	132 Å²	132	135.2 Å²	135.2	81%	0.81	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-61	130.6	145.1	38.4	0	0	0	0	108.4	T482	T482-T484 PolarHBondContact O-N 2.98Å; T482-T484 VanDerWaalsContact O-N 3.17Å
485	V	25.6	Very low	25.1	Very low	122 Å²	122	135.5 Å²	135.5	74%	0.739	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-92.1	132.2	173.1	177.2	0	0	0	0	108.8
486	S	24.7	Very low	24.9	Very low	95 Å²	95	135.6 Å²	135.6	66%	0.664	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-69.6	150.5	-173	46.1	0	0	0	0	114
487	S	22.5	Very low	25	Very low	114 Å²	114	135.9 Å²	135.9	80%	0.797	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-65.4	132.8	158.4	51.7	0	0	0	0	111.4
488	T	26.2	Very low	25	Very low	114 Å²	114	137.3 Å²	137.3	70%	0.699	77%	0.767	S	S	*	*			trans	-148.6	122.8	154.9	23.8	0	0	0	0	109.3
489	D	23.8	Very low	25.1	Very low	143 Å²	143	139.7 Å²	139.7	77%	0.765	77%	0.771	S	S	*	*			trans	43.3	125.9	141	-42.5	-36.6	0	0	0	120.8
490	V	28.7	Very low	25.2	Very low	136 Å²	136	137.3 Å²	137.3	82%	0.824	76%	0.763	S	S	*	*				174.6	136.8	92.9	158.7	0	0	0	0	109.1
491	N	23.9	Very low	25.2	Very low	142 Å²	142	133.6 Å²	133.6	76%	0.759	75%	0.747	S	S	*	*			trans	-59.7	141.9	172.6	-66.4	-37.4	0	0	0	112.2
492	N	28.1	Very low	25.3	Very low	157 Å²	157	136.4 Å²	136.4	84%	0.84	76%	0.756	S	S	*	*				-175.1	125.3	119.5	-93.2	-25.6	0	0	0	112.8
493	N	24.6	Very low	25.4	Very low	150 Å²	150	136.5 Å²	136.5	80%	0.802	75%	0.752	S	S	*	*			trans	-65.9	129.3	161.9	-72.9	-42.2	0	0	0	109.7
494	S	26.5	Very low	25.5	Very low	98 Å²	98	132.9 Å²	132.9	69%	0.685	74%	0.744	S	S	*	*			trans	-170.6	152.1	139.9	62.8	0	0	0	0	111.8
495	L	26.2	Very low	25.9	Very low	146 Å²	146	131.1 Å²	131.1	76%	0.764	74%	0.737	S	S	*	*			trans	66.2	84.6	164.7	-49.7	-179.5	0	0	0	115.6
496	I	26.6	Very low	26.6	Very low	149 Å²	149	128.3 Å²	128.3	76%	0.764	72%	0.721	S	S	*	*				86.9	115.1	79	-73.3	170.4	0	0	0	113.1
497	N	23.3	Very low	27.6	Very low	116 Å²	116	130 Å²	130	62%	0.62	72%	0.72	S	S	*	*			trans	-6.4	125	156	-54.3	-12.7	0	0	0	117.9
498	N	24.1	Very low	30	Very low	146 Å²	146	127.9 Å²	127.9	78%	0.781	70%	0.704	S	S	*	*				155.1	110.1	125.7	-80.2	-22.9	0	0	0	107.4
499	F	25.5	Very low	32.2	Very low	215 Å²	215	125.2 Å²	125.2	94%	0.943	69%	0.687	S	S	*	*			trans	-166.9	150.7	138.6	-95.7	-60.5	0	0	0	110
500	T	25.5	Very low	34.6	Very low	118 Å²	118	119.8 Å²	119.8	72%	0.724	66%	0.662	S	S	*	*			trans	-112.8	131.8	-163.1	46.1	0	0	0	0	111.8
501	T	26.2	Very low	36.8	Very low	86 Å²	86	116 Å²	116	53%	0.528	64%	0.639	S	S	.	*	S	Bend	trans	52	128.2	145.9	58.2	0	0	0	0	120.2
502	N	24.8	Very low	38.8	Very low	136 Å²	136	112.4 Å²	112.4	73%	0.727	62%	0.617	S	S	*	*			trans	78.6	79.2	164	-50.8	-10.3	0	0	0	115.5	F161	F161-N502 WeakPolarHBondContact CE1-O 3.49Å; F161-N502 WeakPolarHBondContact CZ-O 3.4Å
503	D	27.2	Very low	40.7	Very low	143 Å²	143	108.6 Å²	108.6	77%	0.765	60%	0.599	S	S	*	*			trans	-117.1	106.2	152	-85.2	-48.9	0	0	0	107.7	S505	D503-S505 PolarHBondContact O-N 3.5Å
504	E	28.8	Very low	42.4	Very low	133 Å²	133	102.7 Å²	102.7	62%	0.621	57%	0.566	S	S	*	*			trans	-75.4	110.8	158.9	-75.7	-169.2	165.6	0	0	106.5	Q159	Q159-E504 PolarHBondContact NE2-O 3.07Å
505	S	31.5	Very low	44	Very low	95 Å²	95	101.4 Å²	101.4	66%	0.664	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-81.2	153.5	176.3	55.6	0	0	0	0	111	D503 M507	D503-S505 PolarHBondContact O-N 3.5Å; S505-M507 PolarHBondContact O-N 3.18Å
506	P	39.7	Very low	45.4	Very low	63 Å²	63	95.6 Å²	95.6	41%	0.409	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-68.5	134.7	-175.8	24.1	-23.5	0	0	0	108.3	Q159 P508	Q159-P506 HydrophobicContact CG-CB 3.97Å; Q159-P506 VanDerWaalsContact NE2-N 3.13Å; P506-P508 VanDerWaalsContact O-CD 3.27Å; P506-P508 WeakPolarHBondContact O-CD 3.38Å
507	M	47.1	Very low	46.7	Very low	129 Å²	129	94.8 Å²	94.8	64%	0.635	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-57.8	117.2	-177.6	-167.3	-176.6	93.9	0	0	109.1	S505	S505-M507 PolarHBondContact O-N 3.18Å
508	P	71.1	Confident	48.1	Very low	70 Å²	70	93.4 Å²	93.4	46%	0.455	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-64.6	143.7	-176.2	25.2	-33.5	0	0	0	110.1	P506 F637	P506-P508 VanDerWaalsContact O-CD 3.27Å; P506-P508 WeakPolarHBondContact O-CD 3.38Å; P508-F637 VanDerWaalsContact C-CB 3.44Å; P508-F637 HydrophobicContact CB-CB 3.82Å; P508-F637 HydrophobicContact CB-CD1 3.72Å; P508-F637 HydrophobicContact CB-CE1 4.49Å; P508-F637 HydrophobicContact CB-CG 3.89Å; P508-F637 HydrophobicContact CG-CB 4.05Å; P508-F637 HydrophobicContact CG-CD1 3.65Å; P508-F637 HydrophobicContact CG-CE1 4.5Å; P508-F637 HydrophobicContact CG-CG 4.18Å; P508-F637 WeakPolarHBondContact O-CB 3.17Å; P508-F637 PolarHBondContact O-N 3.33Å
509	V	73.9	Confident	49.3	Very low	58 Å²	58	86.5 Å²	86.5	35%	0.352	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	141.5	177.2	-63.8	0	0	0	0	110.1	V511 L616 V634	V509-V511 HydrophobicContact CG2-CG2 4.21Å; V509-L616 HydrophobicContact CB-CD1 4.26Å; V509-L616 HydrophobicContact CG1-CD1 3.56Å; V509-V634 HydrophobicContact CB-CG1 3.98Å; V509-V634 HydrophobicContact CG1-CG1 4.43Å; V509-V634 HydrophobicContact CG2-CG1 4.1Å
510	A	72.8	Confident	50.1	Low	29 Å²	29	79.2 Å²	79.2	24%	0.24	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	124.6	172.4	0	0	0	0	0	109.1	V634 M635 F637	A510-V634 CarbonylContact O-C 3.33Å; A510-V634 WeakPolarHBondContact O-CA 3.25Å; A510-M635 HydrophobicContact CB-CB 4.37Å; A510-M635 PolarHBondContact N-O 3.2Å; A510-M635 PolarHBondContact O-N 3.36Å; A510-F637 HydrophobicContact CB-CD2 4.4Å
511	V	74.8	Confident	50.8	Low	56 Å²	56	76 Å²	76	34%	0.339	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	116	176.3	-174.6	0	0	0	0	109.4	I155 V509 T513 R632 L633 V634	I155-V511 HydrophobicContact CD1-CG2 4.14Å; V509-V511 HydrophobicContact CG2-CG2 4.21Å; V511-T513 HydrophobicContact CG1-CG2 4.23Å; V511-R632 HydrophobicContact CG1-CB 4.14Å; V511-R632 HydrophobicContact CG1-CG 4.49Å; V511-L633 CarbonylContact C-O 3.49Å; V511-L633 WeakPolarHBondContact CA-O 3.22Å; V511-V634 HydrophobicContact CG2-CG1 4.49Å; V511-V634 HydrophobicContact CG2-CG2 4.41Å
512	K	67.8	Low	51.8	Low	67 Å²	67	73.4 Å²	73.4	29%	0.291	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	111.7	172.4	-173	171.5	177.4	175.1	0	108.6	F514 R632 L633 M635 D716	K512-F514 HydrophobicContact CB-CE2 4.3Å; K512-F514 HydrophobicContact CD-CE2 4.27Å; K512-F514 HydrophobicContact CD-CZ 3.83Å; K512-F514 HydrophobicContact CG-CE2 3.85Å; K512-F514 HydrophobicContact CG-CZ 3.89Å; K512-F514 WeakPolarHBondContact O-CE2 3.42Å; K512-R632 WeakPolarHBondContact O-CA 3.46Å; K512-L633 HydrophobicContact CB-CB 4.43Å; K512-L633 PolarHBondContact N-O 3.26Å; K512-L633 PolarHBondContact O-N 3.12Å; K512-M635 HydrophobicContact CB-CE 4.15Å; K512-D716 IonicContact NZ-OD1 3.26Å; K512-D716 PolarHBondContact NZ-OD1 3Å; K512-D716 IonicContact NZ-OD2 2.63Å; K512-D716 PolarHBondContact NZ-OD2 3.31Å
513	T	66.4	Low	52.4	Low	77 Å²	77	69.9 Å²	69.9	47%	0.472	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	148.3	177.8	57.1	0	0	0	0	111	V511 Y631 R632	V511-T513 HydrophobicContact CG1-CG2 4.23Å; T513-Y631 CarbonylContact C-O 3.52Å; T513-Y631 WeakPolarHBondContact CA-O 3.15Å; T513-R632 HydrophobicContact CG2-CG 4.11Å
514	F	61.7	Low	52.8	Low	26 Å²	26	68.5 Å²	68.5	11%	0.114	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129.2	176.2	-57.9	-102.7	0	0	0	108.3	K512 Y631 L633	K512-F514 HydrophobicContact CB-CE2 4.3Å; K512-F514 HydrophobicContact CD-CE2 4.27Å; K512-F514 HydrophobicContact CD-CZ 3.83Å; K512-F514 HydrophobicContact CG-CE2 3.85Å; K512-F514 HydrophobicContact CG-CZ 3.89Å; K512-F514 WeakPolarHBondContact O-CE2 3.42Å; F514-Y631 PolarHBondContact N-O 3.35Å; F514-Y631 PolarHBondContact O-N 2.65Å; F514-Y631 VanDerWaalsContact O-N 3.08Å; F514-L633 HydrophobicContact CE2-CB 4.43Å; F514-L633 HydrophobicContact CE2-CD1 3.73Å; F514-L633 HydrophobicContact CE2-CG 3.79Å; F514-L633 HydrophobicContact CZ-CD1 3.83Å; F514-L633 HydrophobicContact CZ-CG 4.41Å
515	T	59.5	Low	53.2	Low	71 Å²	71	66.7 Å²	66.7	44%	0.436	38%	0.381	S	S	.	.			trans	-64.7	158.4	170	60.6	0	0	0	0	110.5	N517 E518 Y519	T515-N517 PolarHBondContact O-N 2.95Å; T515-E518 VanDerWaalsContact CB-OE2 3.28Å; T515-E518 WeakPolarHBondContact CB-OE2 3.39Å; T515-E518 VanDerWaalsContact CG2-OE2 3.28Å; T515-E518 WeakPolarHBondContact CG2-OE2 3.35Å; T515-E518 PolarHBondContact N-OE2 3.06Å; T515-E518 PolarHBondContact O-N 3.25Å; T515-E518 VanDerWaalsContact OG1-CD 3.23Å; T515-E518 VanDerWaalsContact OG1-CG 3.28Å; T515-E518 WeakPolarHBondContact OG1-CG 3.43Å; T515-E518 PolarHBondContact OG1-N 3.47Å; T515-E518 PolarHBondContact OG1-OE2 3.29Å; T515-Y519 WeakPolarHBondContact O-CB 3.32Å; T515-Y519 PolarHBondContact O-N 2.86Å
516	A	55.4	Low	53.5	Low	24 Å²	24	62.9 Å²	62.9	20%	0.198	35%	0.353	C	S	.	.	H	α-helix	trans	-53.9	-30.1	175.6	0	0	0	0	0	113.4	D520 I628	A516-D520 WeakPolarHBondContact O-CA 3.1Å; A516-D520 WeakPolarHBondContact O-CB 3.49Å; A516-D520 VanDerWaalsContact O-CG 3.29Å; A516-D520 PolarHBondContact O-N 3.42Å; A516-I628 HydrophobicContact CB-CG2 4.23Å
517	N	54.3	Low	53.2	Low	133 Å²	133	61.1 Å²	61.1	71%	0.711	35%	0.346	S	S	*	.	H	α-helix	trans	-79.9	-43.3	177.6	-72.7	-8.1	0	0	0	113.5	T515 Y519 D520 A521	T515-N517 PolarHBondContact O-N 2.95Å; N517-Y519 VanDerWaalsContact C-N 3.28Å; N517-D520 PolarHBondContact O-N 3.08Å; N517-A521 WeakPolarHBondContact O-CB 3.3Å; N517-A521 PolarHBondContact O-N 2.94Å
518	E	52.9	Low	52.6	Low	87 Å²	87	55.2 Å²	55.2	41%	0.407	32%	0.317	S	S	.	.	H	α-helix	trans	-65.3	-39.6	174.6	-68.6	158.9	139.7	0	0	110.4	T515 W522	T515-E518 VanDerWaalsContact CB-OE2 3.28Å; T515-E518 WeakPolarHBondContact CB-OE2 3.39Å; T515-E518 VanDerWaalsContact CG2-OE2 3.28Å; T515-E518 WeakPolarHBondContact CG2-OE2 3.35Å; T515-E518 PolarHBondContact N-OE2 3.06Å; T515-E518 PolarHBondContact O-N 3.25Å; T515-E518 VanDerWaalsContact OG1-CD 3.23Å; T515-E518 VanDerWaalsContact OG1-CG 3.28Å; T515-E518 WeakPolarHBondContact OG1-CG 3.43Å; T515-E518 PolarHBondContact OG1-N 3.47Å; T515-E518 PolarHBondContact OG1-OE2 3.29Å; E518-W522 VanDerWaalsContact O-CB 3.26Å; E518-W522 WeakPolarHBondContact O-CB 3.16Å; E518-W522 PolarHBondContact O-N 3.15Å
519	Y	49.1	Very low	50.8	Low	1 Å²	1	54.4 Å²	54.4	0%	0.004	31%	0.307	C	S	.	.	H	α-helix	trans	-67.6	-42.7	172.1	166.5	-92.5	0	0	0	112	T515 N517 A521 W522 K523 F529 Y631	T515-Y519 WeakPolarHBondContact O-CB 3.32Å; T515-Y519 PolarHBondContact O-N 2.86Å; N517-Y519 VanDerWaalsContact C-N 3.28Å; Y519-A521 VanDerWaalsContact C-N 3.3Å; Y519-A521 PolarHBondContact O-N 3.37Å; Y519-W522 AromaticContact CD2-CE3 3.66Å; Y519-W522 HydrophobicContact CD2-CE3 3.66Å; Y519-W522 HydrophobicContact CD2-CZ3 4.02Å; Y519-W522 AromaticContact CE2-CE3 3.98Å; Y519-W522 HydrophobicContact CE2-CE3 3.98Å; Y519-W522 HydrophobicContact CE2-CZ3 4.03Å; Y519-W522 CarbonylContact O-C 3.26Å; Y519-W522 VanDerWaalsContact O-C 3.25Å; Y519-W522 WeakPolarHBondContact O-CA 3.36Å; Y519-W522 WeakPolarHBondContact O-CB 3.32Å; Y519-W522 PolarHBondContact O-N 2.91Å; Y519-W522 VanDerWaalsContact O-N 3.12Å; Y519-K523 HydrophobicContact CD1-CD 4.29Å; Y519-K523 HydrophobicContact CE1-CB 4.28Å; Y519-K523 HydrophobicContact CE1-CD 3.54Å; Y519-K523 HydrophobicContact CE1-CG 4.24Å; Y519-K523 WeakPolarHBondContact O-CB 3.48Å; Y519-K523 PolarHBondContact O-N 3.13Å; Y519-F529 AromaticContact CE2-CD2 3.57Å; Y519-F529 HydrophobicContact CE2-CD2 3.57Å; Y519-F529 AromaticContact CE2-CE2 3.57Å; Y519-F529 HydrophobicContact CE2-CE2 3.57Å; Y519-F529 HydrophobicContact CE2-CG 4.19Å; Y519-F529 HydrophobicContact CE2-CZ 4.15Å; Y519-F529 AromaticContact CZ-CD2 3.73Å; Y519-F529 AromaticContact CZ-CG 3.88Å; Y519-F529 WeakPolarHBondContact OH-CB 3.49Å; Y519-F529 VanDerWaalsContact OH-CD1 3.24Å; Y519-F529 WeakPolarHBondContact OH-CD1 3.43Å; Y519-F529 WeakPolarHBondContact OH-CD2 3.49Å; Y519-F529 WeakPolarHBondContact OH-CG 3.29Å; Y519-Y631 HydrophobicContact CD1-CD1 4.48Å; Y519-Y631 AromaticContact CD1-CD2 3.39Å; Y519-Y631 HydrophobicContact CD1-CD2 3.39Å; Y519-Y631 HydrophobicContact CD1-CE1 4.28Å; Y519-Y631 AromaticContact CD1-CE2 3.14Å; Y519-Y631 HydrophobicContact CD1-CE2 3.14Å; Y519-Y631 HydrophobicContact CD1-CG 4.06Å; Y519-Y631 AromaticContact CD1-CZ 3.61Å; Y519-Y631 AromaticContact CD2-CD1 3.65Å; Y519-Y631 HydrophobicContact CD2-CD1 3.65Å; Y519-Y631 AromaticContact CD2-CD2 3.46Å; Y519-Y631 HydrophobicContact CD2-CD2 3.46Å; Y519-Y631 VanDerWaalsContact CD2-CD2 3.46Å; Y519-Y631 HydrophobicContact CD2-CE1 4.13Å; Y519-Y631 AromaticContact CD2-CE2 3.98Å; Y519-Y631 HydrophobicContact CD2-CE2 3.98Å; Y519-Y631 AromaticContact CD2-CG 3.26Å; Y519-Y631 HydrophobicContact CD2-CG 3.26Å; Y519-Y631 HydrophobicContact CE1-CD1 4.17Å; Y519-Y631 AromaticContact CE1-CD2 3.76Å; Y519-Y631 HydrophobicContact CE1-CD2 3.76Å; Y519-Y631 AromaticContact CE1-CE1 3.64Å; Y519-Y631 HydrophobicContact CE1-CE1 3.64Å; Y519-Y631 AromaticContact CE1-CE2 3.19Å; Y519-Y631 HydrophobicContact CE1-CE2 3.19Å; Y519-Y631 HydrophobicContact CE1-CG 4.21Å; Y519-Y631 AromaticContact CE1-CZ 3.09Å; Y519-Y631 VanDerWaalsContact CE1-OH 3.26Å; Y519-Y631 WeakPolarHBondContact CE1-OH 3.46Å; Y519-Y631 AromaticContact CE2-CD1 3.31Å; Y519-Y631 HydrophobicContact CE2-CD1 3.31Å; Y519-Y631 AromaticContact CE2-CD2 3.87Å; Y519-Y631 HydrophobicContact CE2-CD2 3.87Å; Y519-Y631 AromaticContact CE2-CE1 3.5Å; Y519-Y631 HydrophobicContact CE2-CE1 3.5Å; Y519-Y631 HydrophobicContact CE2-CE2 4.06Å; Y519-Y631 AromaticContact CE2-CG 3.49Å; Y519-Y631 HydrophobicContact CE2-CG 3.49Å; Y519-Y631 VanDerWaalsContact CE2-CG 3.49Å; Y519-Y631 AromaticContact CE2-CZ 3.86Å; Y519-Y631 HydrophobicContact CG-CD1 4.2Å; Y519-Y631 AromaticContact CG-CD2 3.16Å; Y519-Y631 HydrophobicContact CG-CD2 3.16Å; Y519-Y631 HydrophobicContact CG-CE1 4.45Å; Y519-Y631 AromaticContact CG-CE2 3.5Å; Y519-Y631 HydrophobicContact CG-CE2 3.5Å; Y519-Y631 AromaticContact CG-CG 3.55Å; Y519-Y631 HydrophobicContact CG-CG 3.55Å; Y519-Y631 AromaticContact CZ-CD1 3.56Å; Y519-Y631 AromaticContact CZ-CD2 3.97Å; Y519-Y631 AromaticContact CZ-CE1 3.18Å; Y519-Y631 AromaticContact CZ-CE2 3.65Å; Y519-Y631 AromaticContact CZ-CG 3.92Å; Y519-Y631 AromaticContact CZ-CZ 3.2Å; Y519-Y631 WeakPolarHBondContact OH-CE1 3.41Å; Y519-Y631 PolarHBondContact OH-OH 2.84Å
520	D	40.9	Very low	48.7	Very low	62 Å²	62	59.8 Å²	59.8	33%	0.332	33%	0.325	S	S	.	.	H	α-helix	trans	-69	-30.1	177.4	-86.6	-25.8	0	0	0	111.1	A516 N517 K523 T524	A516-D520 WeakPolarHBondContact O-CA 3.1Å; A516-D520 WeakPolarHBondContact O-CB 3.49Å; A516-D520 VanDerWaalsContact O-CG 3.29Å; A516-D520 PolarHBondContact O-N 3.42Å; N517-D520 PolarHBondContact O-N 3.08Å; D520-K523 CarbonylContact O-C 3.51Å; D520-K523 PolarHBondContact O-N 3.31Å; D520-K523 WeakPolarHBondContact OD1-CD 3.48Å; D520-K523 WeakPolarHBondContact OD1-CE 3.36Å; D520-K523 IonicContact OD1-NZ 3.93Å; D520-K523 PolarHBondContact OD1-NZ 3.15Å; D520-T524 VanDerWaalsContact O-CB 3.27Å; D520-T524 WeakPolarHBondContact O-CB 3.49Å; D520-T524 WeakPolarHBondContact O-CG2 3.42Å; D520-T524 PolarHBondContact O-N 3.26Å; D520-T524 PolarHBondContact O-OG1 3.28Å
521	A	41.8	Very low	46.7	Very low	49 Å²	49	59.5 Å²	59.5	41%	0.405	32%	0.323	S	S	.	.	H	α-helix	trans	-61.8	-51.2	164.6	0	0	0	0	0	110.5	N517 Y519 K523 T524 E525	N517-A521 WeakPolarHBondContact O-CB 3.3Å; N517-A521 PolarHBondContact O-N 2.94Å; Y519-A521 VanDerWaalsContact C-N 3.3Å; Y519-A521 PolarHBondContact O-N 3.37Å; A521-K523 PolarHBondContact O-N 3.1Å; A521-T524 PolarHBondContact O-N 2.91Å; A521-T524 PolarHBondContact O-OG1 2.9Å; A521-E525 WeakPolarHBondContact O-CB 3.25Å; A521-E525 PolarHBondContact O-N 3.19Å
522	W	46.6	Very low	44.6	Very low	32 Å²	32	59.8 Å²	59.8	12%	0.121	32%	0.322	C	S	.	.	H	α-helix	trans	-62.8	-8.8	173.6	-171	70.3	0	0	0	114.3	E518 Y519 L526 I528 F529 I597 H601	E518-W522 VanDerWaalsContact O-CB 3.26Å; E518-W522 WeakPolarHBondContact O-CB 3.16Å; E518-W522 PolarHBondContact O-N 3.15Å; Y519-W522 AromaticContact CD2-CE3 3.66Å; Y519-W522 HydrophobicContact CD2-CE3 3.66Å; Y519-W522 HydrophobicContact CD2-CZ3 4.02Å; Y519-W522 AromaticContact CE2-CE3 3.98Å; Y519-W522 HydrophobicContact CE2-CE3 3.98Å; Y519-W522 HydrophobicContact CE2-CZ3 4.03Å; Y519-W522 CarbonylContact O-C 3.26Å; Y519-W522 VanDerWaalsContact O-C 3.25Å; Y519-W522 WeakPolarHBondContact O-CA 3.36Å; Y519-W522 WeakPolarHBondContact O-CB 3.32Å; Y519-W522 PolarHBondContact O-N 2.91Å; Y519-W522 VanDerWaalsContact O-N 3.12Å; W522-L526 WeakPolarHBondContact O-CB 3.49Å; W522-I528 HydrophobicContact CD2-CD1 4.09Å; W522-I528 HydrophobicContact CE3-CD1 4.26Å; W522-I528 HydrophobicContact CH2-CD1 4Å; W522-I528 HydrophobicContact CH2-CG2 4.37Å; W522-I528 HydrophobicContact CZ2-CD1 3.78Å; W522-I528 HydrophobicContact CZ3-CD1 4.24Å; W522-I528 HydrophobicContact CZ3-CG2 4.43Å; W522-F529 HydrophobicContact CZ3-CE2 4.19Å; W522-I597 HydrophobicContact CZ2-CG2 3.96Å; W522-H601 AromaticContact CZ2-CE1 3.84Å
523	K	37	Very low	42.8	Very low	63 Å²	63	61.8 Å²	61.8	27%	0.274	33%	0.332	S	S	.	.	H	α-helix	trans	-113.9	-19.7	-179.3	-174.2	-151.8	-167.5	174.4	0	113.2	Y519 D520 A521 L526	Y519-K523 HydrophobicContact CD1-CD 4.29Å; Y519-K523 HydrophobicContact CE1-CB 4.28Å; Y519-K523 HydrophobicContact CE1-CD 3.54Å; Y519-K523 HydrophobicContact CE1-CG 4.24Å; Y519-K523 WeakPolarHBondContact O-CB 3.48Å; Y519-K523 PolarHBondContact O-N 3.13Å; D520-K523 CarbonylContact O-C 3.51Å; D520-K523 PolarHBondContact O-N 3.31Å; D520-K523 WeakPolarHBondContact OD1-CD 3.48Å; D520-K523 WeakPolarHBondContact OD1-CE 3.36Å; D520-K523 IonicContact OD1-NZ 3.93Å; D520-K523 PolarHBondContact OD1-NZ 3.15Å; A521-K523 PolarHBondContact O-N 3.1Å; K523-L526 CarbonylContact C-O 3.58Å; K523-L526 WeakPolarHBondContact CA-O 3.42Å; K523-L526 CarbonylContact O-C 3.47Å; K523-L526 VanDerWaalsContact O-C 3.26Å
524	T	35.2	Very low	41.1	Very low	113 Å²	113	60.4 Å²	60.4	69%	0.693	33%	0.326	S	S	*	.	H	α-helix	trans	-94.4	-29.7	173.9	48.4	0	0	0	0	111.1	D520 A521 L526	D520-T524 VanDerWaalsContact O-CB 3.27Å; D520-T524 WeakPolarHBondContact O-CB 3.49Å; D520-T524 WeakPolarHBondContact O-CG2 3.42Å; D520-T524 PolarHBondContact O-N 3.26Å; D520-T524 PolarHBondContact O-OG1 3.28Å; A521-T524 PolarHBondContact O-N 2.91Å; A521-T524 PolarHBondContact O-OG1 2.9Å; T524-L526 VanDerWaalsContact C-N 3.29Å
525	E	37.9	Very low	39.6	Very low	96 Å²	96	63 Å²	63	45%	0.449	34%	0.34	S	S	.	.	S	Bend	trans	-72.9	-23.2	161.4	-65.2	-159.6	143.1	0	0	112.1	A521	A521-E525 WeakPolarHBondContact O-CB 3.25Å; A521-E525 PolarHBondContact O-N 3.19Å
526	L	38.6	Very low	38.2	Very low	15 Å²	15	64 Å²	64	8%	0.079	34%	0.342	C	S	.	.	S	Bend	trans	-146.9	118	-179.1	-62.6	109.8	0	0	0	113.9	W522 K523 T524 I528 N593 I597	W522-L526 WeakPolarHBondContact O-CB 3.49Å; K523-L526 CarbonylContact C-O 3.58Å; K523-L526 WeakPolarHBondContact CA-O 3.42Å; K523-L526 CarbonylContact O-C 3.47Å; K523-L526 VanDerWaalsContact O-C 3.26Å; T524-L526 VanDerWaalsContact C-N 3.29Å; L526-I528 HydrophobicContact CB-CD1 3.63Å; L526-I528 HydrophobicContact CB-CG1 3.77Å; L526-I528 HydrophobicContact CD2-CD1 4.15Å; L526-I528 HydrophobicContact CG-CD1 4.35Å; L526-I528 PolarHBondContact O-N 3.03Å; L526-N593 HydrophobicContact CD2-CB 4.02Å; L526-N593 VanDerWaalsContact CD2-O 3.25Å; L526-N593 WeakPolarHBondContact CD2-O 3.48Å; L526-N593 HydrophobicContact CG-CB 4.06Å; L526-I597 HydrophobicContact CD1-CD1 3.88Å; L526-I597 HydrophobicContact CD2-CB 3.8Å; L526-I597 HydrophobicContact CD2-CD1 3.49Å; L526-I597 VanDerWaalsContact CD2-CD1 3.49Å; L526-I597 HydrophobicContact CD2-CG1 3.47Å; L526-I597 VanDerWaalsContact CD2-CG1 3.47Å; L526-I597 HydrophobicContact CG-CD1 4.37Å
527	G	32.5	Very low	37	Very low	26 Å²	26	70.4 Å²	70.4	27%	0.268	37%	0.366	S	S	.	.			trans	-62.4	26.3	-179	0	0	0	0	0	119.7	F529 K530 A531	G527-F529 PolarHBondContact O-N 2.8Å; G527-K530 PolarHBondContact O-N 2.7Å; G527-A531 PolarHBondContact O-N 3.5Å; G527-A531 VanDerWaalsContact O-N 3.13Å
528	I	34.3	Very low	35.8	Very low	4 Å²	4	73 Å²	73	2%	0.021	37%	0.365	C	S	.	.	H	α-helix	trans	-52	-45.5	-165.5	-65.9	164	0	0	0	113.6	W522 L526 I532 I597 Q598	W522-I528 HydrophobicContact CD2-CD1 4.09Å; W522-I528 HydrophobicContact CE3-CD1 4.26Å; W522-I528 HydrophobicContact CH2-CD1 4Å; W522-I528 HydrophobicContact CH2-CG2 4.37Å; W522-I528 HydrophobicContact CZ2-CD1 3.78Å; W522-I528 HydrophobicContact CZ3-CD1 4.24Å; W522-I528 HydrophobicContact CZ3-CG2 4.43Å; L526-I528 HydrophobicContact CB-CD1 3.63Å; L526-I528 HydrophobicContact CB-CG1 3.77Å; L526-I528 HydrophobicContact CD2-CD1 4.15Å; L526-I528 HydrophobicContact CG-CD1 4.35Å; L526-I528 PolarHBondContact O-N 3.03Å; I528-I532 HydrophobicContact CG2-CD1 3.81Å; I528-I532 WeakPolarHBondContact O-CB 3.41Å; I528-I532 VanDerWaalsContact O-CG1 3.31Å; I528-I532 WeakPolarHBondContact O-CG1 3.29Å; I528-I532 PolarHBondContact O-N 3.49Å; I528-I597 HydrophobicContact CD1-CB 4.14Å; I528-I597 HydrophobicContact CD1-CG2 3.98Å; I528-Q598 HydrophobicContact CB-CG 4.43Å; I528-Q598 HydrophobicContact CG1-CG 4.28Å; I528-Q598 HydrophobicContact CG2-CG 3.97Å; I528-Q598 PolarHBondContact O-NE2 3.04Å
529	F	33.2	Very low	34.6	Very low	53 Å²	53	75.2 Å²	75.2	23%	0.232	38%	0.379	C	S	.	.	H	α-helix	trans	-86.9	-22.1	-175.4	-88.4	-114.8	0	0	0	115.2	Y519 W522 G527 I532 H533 Y631	Y519-F529 AromaticContact CE2-CD2 3.57Å; Y519-F529 HydrophobicContact CE2-CD2 3.57Å; Y519-F529 AromaticContact CE2-CE2 3.57Å; Y519-F529 HydrophobicContact CE2-CE2 3.57Å; Y519-F529 HydrophobicContact CE2-CG 4.19Å; Y519-F529 HydrophobicContact CE2-CZ 4.15Å; Y519-F529 AromaticContact CZ-CD2 3.73Å; Y519-F529 AromaticContact CZ-CG 3.88Å; Y519-F529 WeakPolarHBondContact OH-CB 3.49Å; Y519-F529 VanDerWaalsContact OH-CD1 3.24Å; Y519-F529 WeakPolarHBondContact OH-CD1 3.43Å; Y519-F529 WeakPolarHBondContact OH-CD2 3.49Å; Y519-F529 WeakPolarHBondContact OH-CG 3.29Å; W522-F529 HydrophobicContact CZ3-CE2 4.19Å; G527-F529 PolarHBondContact O-N 2.8Å; F529-I532 HydrophobicContact CD2-CD1 4.36Å; F529-I532 HydrophobicContact CE2-CD1 4.34Å; F529-H533 WeakPolarHBondContact O-CB 3.43Å; F529-H533 PolarHBondContact O-N 2.97Å; F529-Y631 HydrophobicContact CD1-CE1 4.04Å; F529-Y631 AromaticContact CE1-CD1 3.9Å; F529-Y631 HydrophobicContact CE1-CD1 3.9Å; F529-Y631 AromaticContact CE1-CE1 3.66Å; F529-Y631 HydrophobicContact CE1-CE1 3.66Å; F529-Y631 HydrophobicContact CE2-CD1 4.3Å; F529-Y631 AromaticContact CZ-CD1 3.71Å; F529-Y631 HydrophobicContact CZ-CD1 3.71Å; F529-Y631 AromaticContact CZ-CE1 3.95Å; F529-Y631 HydrophobicContact CZ-CE1 3.95Å
530	K	30.5	Very low	33.5	Very low	172 Å²	172	79.8 Å²	79.8	75%	0.748	41%	0.41	S	S	*	.	H	α-helix	trans	-72.5	-36.7	169.5	-77.6	-177.6	176.9	175.3	0	110.8	G527 S534	G527-K530 PolarHBondContact O-N 2.7Å; K530-S534 VanDerWaalsContact O-CB 3.22Å; K530-S534 WeakPolarHBondContact O-CB 3.45Å; K530-S534 PolarHBondContact O-N 3.18Å
531	A	30.6	Very low	32.7	Very low	23 Å²	23	82.1 Å²	82.1	19%	0.19	44%	0.437	C	S	.	.	H	α-helix	trans	-67.8	-45.8	171.9	0	0	0	0	0	112.1	G527 H533 S534 I535	G527-A531 PolarHBondContact O-N 3.5Å; G527-A531 VanDerWaalsContact O-N 3.13Å; A531-H533 VanDerWaalsContact C-N 3.34Å; A531-H533 PolarHBondContact O-N 2.97Å; A531-S534 PolarHBondContact O-N 2.9Å; A531-S534 VanDerWaalsContact O-N 3.12Å; A531-I535 HydrophobicContact CB-CD1 4.46Å; A531-I535 WeakPolarHBondContact O-CB 3.37Å; A531-I535 WeakPolarHBondContact O-CG1 3.3Å; A531-I535 PolarHBondContact O-N 3Å
532	I	30.1	Very low	32	Very low	62 Å²	62	85.8 Å²	85.8	32%	0.318	45%	0.454	S	S	.	.	H	α-helix	trans	-59	-41	174	-73.2	164.4	0	0	0	111.9	I528 F529 N536	I528-I532 HydrophobicContact CG2-CD1 3.81Å; I528-I532 WeakPolarHBondContact O-CB 3.41Å; I528-I532 VanDerWaalsContact O-CG1 3.31Å; I528-I532 WeakPolarHBondContact O-CG1 3.29Å; I528-I532 PolarHBondContact O-N 3.49Å; F529-I532 HydrophobicContact CD2-CD1 4.36Å; F529-I532 HydrophobicContact CE2-CD1 4.34Å; I532-N536 WeakPolarHBondContact O-CB 3.29Å; I532-N536 PolarHBondContact O-N 2.95Å; I532-N536 PolarHBondContact O-ND2 3.32Å
533	H	30.4	Very low	31	Very low	109 Å²	109	89.5 Å²	89.5	51%	0.505	48%	0.48	S	S	.	.	H	α-helix	trans	-71.8	-28.2	176.9	-167.3	96.1	0	0	0	113.3	F529 A531 K537	F529-H533 WeakPolarHBondContact O-CB 3.43Å; F529-H533 PolarHBondContact O-N 2.97Å; A531-H533 VanDerWaalsContact C-N 3.34Å; A531-H533 PolarHBondContact O-N 2.97Å; H533-K537 PolarHBondContact NE2-NZ 2.89Å
534	S	31.3	Very low	30.5	Very low	48 Å²	48	91.9 Å²	91.9	34%	0.336	51%	0.505	S	S	.	.	H	α-helix	trans	-81.5	-39	178.3	-168.3	0	0	0	0	112.6	K530 A531 K537 R538	K530-S534 VanDerWaalsContact O-CB 3.22Å; K530-S534 WeakPolarHBondContact O-CB 3.45Å; K530-S534 PolarHBondContact O-N 3.18Å; A531-S534 PolarHBondContact O-N 2.9Å; A531-S534 VanDerWaalsContact O-N 3.12Å; S534-K537 CarbonylContact O-C 3.39Å; S534-K537 PolarHBondContact O-N 3.3Å; S534-K537 VanDerWaalsContact O-N 3.12Å; S534-R538 WeakPolarHBondContact O-CB 3.42Å; S534-R538 VanDerWaalsContact O-CG 3.27Å; S534-R538 WeakPolarHBondContact O-CG 3.5Å; S534-R538 PolarHBondContact O-N 3.36Å; S534-R538 PolarHBondContact OG-NE 2.9Å
535	I	29.3	Very low	30.2	Very low	80 Å²	80	91.7 Å²	91.7	41%	0.41	51%	0.508	S	S	.	.	H	α-helix	trans	-71	-40.3	178.6	-68.9	162.2	0	0	0	110.9	A531 K537 R538 L539	A531-I535 HydrophobicContact CB-CD1 4.46Å; A531-I535 WeakPolarHBondContact O-CB 3.37Å; A531-I535 WeakPolarHBondContact O-CG1 3.3Å; A531-I535 PolarHBondContact O-N 3Å; I535-K537 PolarHBondContact O-N 3.22Å; I535-R538 PolarHBondContact O-N 2.95Å; I535-L539 PolarHBondContact O-N 3.18Å; I535-L539 VanDerWaalsContact O-N 3.16Å
536	N	30.2	Very low	29.6	Very low	91 Å²	91	94.2 Å²	94.2	49%	0.487	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-7.2	170	-76.4	-58.7	0	0	0	114	I532	I532-N536 WeakPolarHBondContact O-CB 3.29Å; I532-N536 PolarHBondContact O-N 2.95Å; I532-N536 PolarHBondContact O-ND2 3.32Å
537	K	30.6	Very low	29.1	Very low	159 Å²	159	97.1 Å²	97.1	69%	0.691	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	-0.7	168.9	-79.7	-178.4	171.4	167.1	0	113.7	H533 S534 I535	H533-K537 PolarHBondContact NE2-NZ 2.89Å; S534-K537 CarbonylContact O-C 3.39Å; S534-K537 PolarHBondContact O-N 3.3Å; S534-K537 VanDerWaalsContact O-N 3.12Å; I535-K537 PolarHBondContact O-N 3.22Å
538	R	29.8	Very low	28.9	Very low	187 Å²	187	102.1 Å²	102.1	71%	0.706	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.1	5.4	-169.8	-73	-178	-173	-120.8	2	115.6	S534 I535 P540	S534-R538 WeakPolarHBondContact O-CB 3.42Å; S534-R538 VanDerWaalsContact O-CG 3.27Å; S534-R538 WeakPolarHBondContact O-CG 3.5Å; S534-R538 PolarHBondContact O-N 3.36Å; S534-R538 PolarHBondContact OG-NE 2.9Å; I535-R538 PolarHBondContact O-N 2.95Å; R538-P540 WeakPolarHBondContact O-CD 3.41Å; R538-P540 WeakPolarHBondContact O-CG 3.33Å; R538-P540 VanDerWaalsContact O-N 3.16Å
539	L	26.2	Very low	28.7	Very low	134 Å²	134	108.2 Å²	108.2	70%	0.702	62%	0.62	S	S	*	*			trans	-63.5	106.9	160.3	-98.8	154.9	0	0	0	108.2	I535	I535-L539 PolarHBondContact O-N 3.18Å; I535-L539 VanDerWaalsContact O-N 3.16Å
540	P	26.7	Very low	28.5	Very low	98 Å²	98	110.3 Å²	110.3	64%	0.636	65%	0.647	S	S	*	*			trans	-81	141.7	-174.4	-4.6	24.4	0	0	0	109.4	R538 V542	R538-P540 WeakPolarHBondContact O-CD 3.41Å; R538-P540 WeakPolarHBondContact O-CG 3.33Å; R538-P540 VanDerWaalsContact O-N 3.16Å; P540-V542 HydrophobicContact CB-CG2 4.27Å; P540-V542 PolarHBondContact O-N 2.97Å
541	A	24.8	Very low	28.2	Very low	110 Å²	110	108 Å²	108	91%	0.909	65%	0.65	S	S	*	*			trans	-62.1	106.3	164	0	0	0	0	0	109
542	V	27.1	Very low	28.1	Very low	127 Å²	127	113.4 Å²	113.4	77%	0.77	68%	0.68	S	S	*	*			trans	-116.5	88.7	171.8	-178.2	0	0	0	0	108.3	P540	P540-V542 HydrophobicContact CB-CG2 4.27Å; P540-V542 PolarHBondContact O-N 2.97Å
543	V	25.4	Very low	27.8	Very low	110 Å²	110	117.1 Å²	117.1	67%	0.667	71%	0.706	S	S	*	*			trans	-175.9	146.1	142.5	156.1	0	0	0	0	108.1
544	S	24.9	Very low	27.7	Very low	113 Å²	113	119 Å²	119	79%	0.79	72%	0.718	S	S	*	*			trans	70	134.1	-171.4	79.4	0	0	0	0	114
545	S	28.8	Very low	27.2	Very low	109 Å²	109	124.6 Å²	124.6	76%	0.762	74%	0.744	S	S	*	*			cis	-130.3	142.4	15.1	54	0	0	0	0	113.5	A547	S545-A547 PolarHBondContact O-N 3.46Å
546	T	25.9	Very low	27.1	Very low	148 Å²	148	126.6 Å²	126.6	91%	0.908	76%	0.76	S	S	*	*			trans	-79.2	108.6	164.4	45	0	0	0	0	110
547	A	29	Very low	26.7	Very low	76 Å²	76	129 Å²	129	63%	0.628	78%	0.779	S	S	*	*			trans	-155.4	92.5	165.4	0	0	0	0	0	112.4	S545	S545-A547 PolarHBondContact O-N 3.46Å
548	T	27.7	Very low	26.5	Very low	131 Å²	131	125.9 Å²	125.9	80%	0.804	78%	0.782	S	S	*	*			trans	47.2	147.3	142.3	48.1	0	0	0	0	123.8
549	T	31.1	Very low	26.2	Very low	133 Å²	133	123.4 Å²	123.4	82%	0.816	79%	0.788	S	S	*	*			trans	77.9	85.8	155.5	43	0	0	0	0	120.8
550	A	27.3	Very low	26.1	Very low	97 Å²	97	124.4 Å²	124.4	80%	0.802	79%	0.793	S	S	*	*				72.8	141.9	126.9	0	0	0	0	0	121
551	P	26.1	Very low	25.8	Very low	124 Å²	124	125.4 Å²	125.4	81%	0.805	80%	0.797	S	S	*	*			trans	-105.9	146.5	-169.4	39	-31.3	0	0	0	114.3
552	T	28.2	Very low	25.9	Very low	135 Å²	135	127.6 Å²	127.6	83%	0.828	79%	0.792	S	S	*	*			trans	-137.4	124.3	159.3	46.1	0	0	0	0	111.4
553	T	23.4	Very low	25.6	Very low	141 Å²	141	127.2 Å²	127.2	87%	0.865	79%	0.79	S	S	*	*			trans	-51.3	126.5	173.5	41.2	0	0	0	0	114.4
554	I	27.3	Very low	25.7	Very low	149 Å²	149	128.5 Å²	128.5	76%	0.764	80%	0.798	S	S	*	*			trans	-138.5	122.3	149.6	-59.7	-175.9	0	0	0	108.7
555	N	21.6	Very low	25.6	Very low	165 Å²	165	129.1 Å²	129.1	88%	0.882	80%	0.798	S	S	*	*			trans	-81.7	121.9	165	-74.3	-25.3	0	0	0	108.9
556	T	26.6	Very low	25.7	Very low	122 Å²	122	131.9 Å²	131.9	75%	0.748	80%	0.804	S	S	*	*			trans	-155.2	125.4	156.3	8.9	0	0	0	0	112.3
557	T	22.4	Very low	25.7	Very low	142 Å²	142	133 Å²	133	87%	0.871	80%	0.804	S	S	*	*			trans	-59.8	137.5	161.8	35	0	0	0	0	111
558	A	26.1	Very low	25.8	Very low	93 Å²	93	133.3 Å²	133.3	77%	0.769	81%	0.814	S	S	*	*			trans	-134.6	94.8	172.4	0	0	0	0	0	110.7
559	T	22.7	Very low	25.6	Very low	135 Å²	135	132.2 Å²	132.2	83%	0.828	81%	0.813	S	S	*	*			trans	-70.6	131.7	167.8	-11.5	0	0	0	0	109.3
560	I	24.8	Very low	25.5	Very low	155 Å²	155	133.1 Å²	133.1	80%	0.795	81%	0.811	S	S	*	*			trans	-109.4	107.3	173.2	-62.4	179.4	0	0	0	109.1
561	T	21.6	Very low	25.5	Very low	118 Å²	118	132.8 Å²	132.8	72%	0.724	80%	0.803	S	S	*	*			trans	-84	132.1	173.9	-47.2	0	0	0	0	109.7
562	I	25.4	Very low	25.6	Very low	156 Å²	156	133.2 Å²	133.2	80%	0.8	80%	0.798	S	S	*	*			trans	-106.9	113.7	165.2	-61.2	179.1	0	0	0	107.7
563	T	21.7	Very low	25.6	Very low	120 Å²	120	132.5 Å²	132.5	74%	0.736	79%	0.789	S	S	*	*			trans	-81.2	127.3	179.1	30.3	0	0	0	0	111.6
564	T	27.2	Very low	25.8	Very low	136 Å²	136	131.8 Å²	131.8	83%	0.834	78%	0.78	S	S	*	*			trans	-105.9	122.1	157	44	0	0	0	0	108.9
565	T	23.1	Very low	25.8	Very low	127 Å²	127	131.2 Å²	131.2	78%	0.779	78%	0.784	S	S	*	*			trans	-73	133.4	-177.1	48.4	0	0	0	0	111.7
566	N	30.8	Very low	26.1	Very low	167 Å²	167	127.9 Å²	127.9	89%	0.893	77%	0.773	S	S	*	*			trans	-149.9	133.4	147.9	-100.6	-28.1	0	0	0	110.6
567	N	26.3	Very low	26	Very low	171 Å²	171	129.1 Å²	129.1	91%	0.914	78%	0.775	S	S	*	*			trans	-80.3	143.9	-176.3	-62.6	-42.1	0	0	0	110.9
568	G	29.8	Very low	26.1	Very low	82 Å²	82	130 Å²	130	85%	0.845	78%	0.775	S	S	*	*			trans	167.2	90.2	174.7	0	0	0	0	0	112.7
569	S	24.9	Very low	26.1	Very low	109 Å²	109	131 Å²	131	76%	0.762	78%	0.776	S	S	*	*			trans	-83.4	162	-176.3	46.8	0	0	0	0	114.1
570	I	28.4	Very low	26.2	Very low	151 Å²	151	131 Å²	131	77%	0.774	78%	0.776	S	S	*	*			trans	130.8	83.4	147.1	-64.4	167.4	0	0	0	114.3
571	S	26.9	Very low	26.2	Very low	91 Å²	91	129.8 Å²	129.8	64%	0.636	78%	0.776	S	S	*	*				36	127.7	129.4	69.9	0	0	0	0	123.4
572	N	28.6	Very low	26.3	Very low	132 Å²	132	130.6 Å²	130.6	71%	0.706	78%	0.781	S	S	*	*				93.6	108.2	122.2	-73.6	13.3	0	0	0	122.1
573	N	28.7	Very low	26.3	Very low	120 Å²	120	128 Å²	128	64%	0.642	77%	0.772	S	S	*	*				110.5	105.6	115.8	-73	3.2	0	0	0	119.9
574	N	27.8	Very low	26.5	Very low	127 Å²	127	129 Å²	129	68%	0.679	77%	0.774	S	S	*	*				88.4	128.6	128.1	-63.7	-11.2	0	0	0	120
575	T	26.8	Very low	26.6	Very low	137 Å²	137	127.8 Å²	127.8	84%	0.84	77%	0.766	S	S	*	*			trans	62.7	130.4	150.1	47.5	0	0	0	0	117.2
576	S	26.9	Very low	26.8	Very low	94 Å²	94	127.4 Å²	127.4	66%	0.657	76%	0.763	S	S	*	*			cis	-170.5	143.1	7.3	43.8	0	0	0	0	111.3
577	N	25.2	Very low	26.6	Very low	148 Å²	148	121.7 Å²	121.7	79%	0.791	74%	0.744	S	S	*	*			trans	62.2	143.1	153.8	-56.2	-12.3	0	0	0	119.8
578	N	25.5	Very low	26.7	Very low	161 Å²	161	117.7 Å²	117.7	86%	0.861	73%	0.726	S	S	*	*			trans	73.2	75	169.5	-58.5	-7	0	0	0	117.8
579	S	24.8	Very low	26.6	Very low	113 Å²	113	116.5 Å²	116.5	79%	0.79	70%	0.699	S	S	*	*			trans	-140	114.9	152.6	-51.4	0	0	0	0	109.5	T581	S579-T581 PolarHBondContact O-N 3.22Å
580	T	25	Very low	26.7	Very low	137 Å²	137	114 Å²	114	84%	0.84	68%	0.682	S	S	*	*			trans	-65.7	116.6	169.6	10.5	0	0	0	0	109.2	T582	T580-T582 PolarHBondContact O-N 2.93Å
581	T	24.5	Very low	26.7	Very low	128 Å²	128	111 Å²	111	79%	0.785	67%	0.667	S	S	*	*			trans	-71.2	97.1	-179.4	43.2	0	0	0	0	111.2	S579 T583	S579-T581 PolarHBondContact O-N 3.22Å; T581-T583 VanDerWaalsContact C-N 3.31Å; T581-T583 PolarHBondContact O-N 3.42Å; T581-T583 VanDerWaalsContact O-N 3.11Å
582	T	24.9	Very low	26.8	Very low	136 Å²	136	109.5 Å²	109.5	83%	0.834	65%	0.652	S	S	*	*			trans	-80.3	73.5	172.1	51.9	0	0	0	0	110.9	T580	T580-T582 PolarHBondContact O-N 2.93Å
583	T	25.2	Very low	27.1	Very low	101 Å²	101	104.1 Å²	104.1	62%	0.62	62%	0.623	S	S	*	*			trans	-143.5	125.6	176	47.7	0	0	0	0	109.3	T581	T581-T583 VanDerWaalsContact C-N 3.31Å; T581-T583 PolarHBondContact O-N 3.42Å; T581-T583 VanDerWaalsContact O-N 3.11Å
584	D	26	Very low	27.4	Very low	142 Å²	142	98.6 Å²	98.6	76%	0.759	59%	0.594	S	S	*	*	S	Bend	trans	134.5	-12.4	156.4	-67.6	-8	0	0	0	116.1
585	T	28	Very low	27.8	Very low	109 Å²	109	98.8 Å²	98.8	67%	0.669	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-21	-179	46.1	0	0	0	0	115.4	G587	T585-G587 VanDerWaalsContact C-N 3.33Å; T585-G587 PolarHBondContact O-N 2.93Å
586	V	28.1	Very low	28.5	Very low	119 Å²	119	92.9 Å²	92.9	72%	0.721	55%	0.553	S	S	*	*	H	α-helix	trans	-71.2	-26.6	-175.2	-176	0	0	0	0	112.7
587	G	27.3	Very low	29.3	Very low	48 Å²	48	88.7 Å²	88.7	50%	0.495	52%	0.523	S	S	.	.	H	α-helix	trans	-73.7	-26.2	-178.2	0	0	0	0	0	114.6	T585 N591	T585-G587 VanDerWaalsContact C-N 3.33Å; T585-G587 PolarHBondContact O-N 2.93Å; G587-N591 PolarHBondContact O-ND2 2.88Å
588	T	27.1	Very low	30.3	Very low	86 Å²	86	83 Å²	83	53%	0.528	49%	0.492	S	S	.	.	H	α-helix	trans	-85.8	-34.3	-175.8	-28.4	0	0	0	0	112	N591	T588-N591 PolarHBondContact O-N 2.83Å
589	I	27.1	Very low	31.3	Very low	57 Å²	57	78.5 Å²	78.5	29%	0.292	46%	0.463	S	S	.	.	H	α-helix	trans	-64.8	-42.7	-175	-75.2	168.8	0	0	0	112.3	N591 I592 A754	I589-N591 VanDerWaalsContact C-N 3.29Å; I589-N591 PolarHBondContact O-N 2.96Å; I589-I592 PolarHBondContact O-N 2.99Å; I589-A754 HydrophobicContact CB-CB 4.14Å; I589-A754 HydrophobicContact CG1-CB 4.12Å; I589-A754 HydrophobicContact CG2-CB 3.7Å
590	S	28.3	Very low	32.5	Very low	58 Å²	58	73.2 Å²	73.2	41%	0.406	43%	0.426	S	S	.	.	H	α-helix	trans	-69	-22.5	-177.9	51.7	0	0	0	0	114.5
591	N	27.4	Very low	33.9	Very low	86 Å²	86	68.1 Å²	68.1	46%	0.46	39%	0.393	S	S	.	.	H	α-helix	trans	-73.1	-39.4	179.4	-70.4	-43.7	0	0	0	112.2	G587 T588 I589 S594 F595	G587-N591 PolarHBondContact O-ND2 2.88Å; T588-N591 PolarHBondContact O-N 2.83Å; I589-N591 VanDerWaalsContact C-N 3.29Å; I589-N591 PolarHBondContact O-N 2.96Å; N591-S594 WeakPolarHBondContact O-CB 3.47Å; N591-S594 PolarHBondContact O-N 3.32Å; N591-S594 VanDerWaalsContact O-N 3.13Å; N591-S594 PolarHBondContact O-OG 2.94Å; N591-F595 WeakPolarHBondContact O-CD2 3.44Å; N591-F595 PolarHBondContact O-N 2.87Å
592	I	29.8	Very low	35.1	Very low	61 Å²	61	66.9 Å²	66.9	31%	0.313	38%	0.378	S	S	.	.	H	α-helix	trans	-74.7	-37.6	-164.8	-60.2	174.8	0	0	0	111.4	I589 S596 S752	I589-I592 PolarHBondContact O-N 2.99Å; I592-S596 PolarHBondContact O-OG 2.97Å; I592-S752 WeakPolarHBondContact CD1-OG 3.31Å
593	N	35.9	Very low	36.2	Very low	18 Å²	18	60.9 Å²	60.9	10%	0.096	34%	0.341	C	S	.	.	H	α-helix	trans	-63.9	-47.9	167.4	-65.8	-2.4	0	0	0	110	L526 F595 S596	L526-N593 HydrophobicContact CD2-CB 4.02Å; L526-N593 VanDerWaalsContact CD2-O 3.25Å; L526-N593 WeakPolarHBondContact CD2-O 3.48Å; L526-N593 HydrophobicContact CG-CB 4.06Å; N593-F595 VanDerWaalsContact C-N 3.26Å; N593-F595 PolarHBondContact O-N 2.95Å; N593-F595 VanDerWaalsContact O-N 3.13Å; N593-S596 PolarHBondContact O-N 2.82Å; N593-S596 PolarHBondContact O-OG 2.8Å
594	S	34.9	Very low	37.5	Very low	4 Å²	4	56.5 Å²	56.5	3%	0.028	31%	0.313	C	S	.	.	H	α-helix	trans	-55.7	-36.8	-176.6	83.1	0	0	0	0	114.6	N591 Q598	N591-S594 WeakPolarHBondContact O-CB 3.47Å; N591-S594 PolarHBondContact O-N 3.32Å; N591-S594 VanDerWaalsContact O-N 3.13Å; N591-S594 PolarHBondContact O-OG 2.94Å; S594-Q598 WeakPolarHBondContact O-CG 3.1Å
595	F	35	Very low	38.6	Very low	132 Å²	132	52.7 Å²	52.7	58%	0.579	29%	0.288	S	S	*	.	H	α-helix	trans	-65.8	-40.3	174.8	-94.5	-83.2	0	0	0	111.7	N591 N593 Y599	N591-F595 WeakPolarHBondContact O-CD2 3.44Å; N591-F595 PolarHBondContact O-N 2.87Å; N593-F595 VanDerWaalsContact C-N 3.26Å; N593-F595 PolarHBondContact O-N 2.95Å; N593-F595 VanDerWaalsContact O-N 3.13Å; F595-Y599 WeakPolarHBondContact O-CB 3.37Å; F595-Y599 PolarHBondContact O-N 3.19Å
596	S	40.9	Very low	39.5	Very low	12 Å²	12	50.1 Å²	50.1	8%	0.084	27%	0.269	C	S	.	.	H	α-helix	trans	-70.9	-43	-168.2	45.4	0	0	0	0	114.1	I592 N593 V600	I592-S596 PolarHBondContact O-OG 2.97Å; N593-S596 PolarHBondContact O-N 2.82Å; N593-S596 PolarHBondContact O-OG 2.8Å; S596-V600 VanDerWaalsContact O-CG2 3.25Å; S596-V600 WeakPolarHBondContact O-CG2 3.28Å; S596-V600 PolarHBondContact O-N 2.93Å
597	I	45.3	Very low	40.7	Very low	6 Å²	6	45.6 Å²	45.6	3%	0.031	24%	0.24	C	C	.	.	H	α-helix	trans	-72.6	-40.3	176.2	-67.5	-167.5	0	0	0	112.1	W522 L526 I528 Y599 V600 H601	W522-I597 HydrophobicContact CZ2-CG2 3.96Å; L526-I597 HydrophobicContact CD1-CD1 3.88Å; L526-I597 HydrophobicContact CD2-CB 3.8Å; L526-I597 HydrophobicContact CD2-CD1 3.49Å; L526-I597 VanDerWaalsContact CD2-CD1 3.49Å; L526-I597 HydrophobicContact CD2-CG1 3.47Å; L526-I597 VanDerWaalsContact CD2-CG1 3.47Å; L526-I597 HydrophobicContact CG-CD1 4.37Å; I528-I597 HydrophobicContact CD1-CB 4.14Å; I528-I597 HydrophobicContact CD1-CG2 3.98Å; I597-Y599 VanDerWaalsContact C-N 3.29Å; I597-Y599 PolarHBondContact O-N 3.05Å; I597-V600 PolarHBondContact O-N 3.05Å; I597-H601 WeakPolarHBondContact CG2-NE2 3.23Å; I597-H601 PolarHBondContact O-CD2 2.99Å; I597-H601 PolarHBondContact O-N 2.85Å
598	Q	44.8	Very low	42.3	Very low	28 Å²	28	45 Å²	45	13%	0.131	24%	0.235	C	C	.	.	H	α-helix	trans	-57.2	-45.4	173.3	-76.3	-178.8	-7.6	0	0	112	I528 S594 H601 E602	I528-Q598 HydrophobicContact CB-CG 4.43Å; I528-Q598 HydrophobicContact CG1-CG 4.28Å; I528-Q598 HydrophobicContact CG2-CG 3.97Å; I528-Q598 PolarHBondContact O-NE2 3.04Å; S594-Q598 WeakPolarHBondContact O-CG 3.1Å; Q598-H601 WeakPolarHBondContact O-CB 3.16Å; Q598-H601 PolarHBondContact O-N 2.88Å; Q598-E602 WeakPolarHBondContact O-CB 3.35Å; Q598-E602 PolarHBondContact O-N 2.85Å
599	Y	47.9	Very low	44.7	Very low	67 Å²	67	43 Å²	43	26%	0.263	22%	0.219	S	C	.	.	H	α-helix	trans	-71.9	-32.3	-178.4	175.8	-96.4	0	0	0	111.7	F595 I597 I603 G690 Y692 C722	F595-Y599 WeakPolarHBondContact O-CB 3.37Å; F595-Y599 PolarHBondContact O-N 3.19Å; I597-Y599 VanDerWaalsContact C-N 3.29Å; I597-Y599 PolarHBondContact O-N 3.05Å; Y599-I603 HydrophobicContact CD1-CD1 3.59Å; Y599-I603 HydrophobicContact CE1-CD1 3.14Å; Y599-I603 HydrophobicContact CE1-CG1 4.24Å; Y599-I603 HydrophobicContact CE2-CD1 4.22Å; Y599-I603 HydrophobicContact CG-CD1 4.3Å; Y599-I603 VanDerWaalsContact CZ-CD1 3.49Å; Y599-I603 VanDerWaalsContact O-CB 3.29Å; Y599-I603 WeakPolarHBondContact O-CB 3.23Å; Y599-I603 VanDerWaalsContact O-CG1 3.3Å; Y599-I603 WeakPolarHBondContact O-CG1 3.3Å; Y599-I603 PolarHBondContact O-N 3.17Å; Y599-G690 PolarHBondContact OH-O 3.27Å; Y599-Y692 AromaticContact CE1-CD2 3.63Å; Y599-Y692 HydrophobicContact CE1-CD2 3.63Å; Y599-Y692 HydrophobicContact CE1-CG 4.39Å; Y599-Y692 AromaticContact CZ-CD2 3.58Å; Y599-Y692 WeakPolarHBondContact OH-CD2 3.28Å; Y599-Y692 PolarHBondContact OH-N 3.48Å; Y599-C722 HydrophobicContact CD1-CB 4.14Å; Y599-C722 WeakPolarHBondContact CD1-SG 3.37Å; Y599-C722 WeakPolarHBondContact CE1-SG 3.2Å
600	V	50.1	Low	47.4	Very low	2 Å²	2	44.3 Å²	44.3	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-60.3	-49	164.9	168.5	0	0	0	0	110.5	S596 I597 E602 I603 L604 V694 F717 C722	S596-V600 VanDerWaalsContact O-CG2 3.25Å; S596-V600 WeakPolarHBondContact O-CG2 3.28Å; S596-V600 PolarHBondContact O-N 2.93Å; I597-V600 PolarHBondContact O-N 3.05Å; V600-E602 VanDerWaalsContact C-N 3.33Å; V600-E602 PolarHBondContact O-N 2.9Å; V600-I603 WeakPolarHBondContact O-CB 3.41Å; V600-I603 PolarHBondContact O-N 2.9Å; V600-L604 HydrophobicContact CG1-CD1 3.69Å; V600-L604 HydrophobicContact CG1-CG 4.12Å; V600-L604 WeakPolarHBondContact O-CB 3.41Å; V600-L604 WeakPolarHBondContact O-CG 3.34Å; V600-L604 PolarHBondContact O-N 3.48Å; V600-V694 HydrophobicContact CG2-CB 4.46Å; V600-V694 HydrophobicContact CG2-CG1 3.72Å; V600-V694 HydrophobicContact CG2-CG2 3.81Å; V600-F717 HydrophobicContact CG1-CB 4.26Å; V600-F717 HydrophobicContact CG1-CG 4.42Å; V600-C722 HydrophobicContact CG2-CB 4.01Å
601	H	53.5	Low	50.5	Low	30 Å²	30	41.8 Å²	41.8	14%	0.139	21%	0.213	C	C	.	.	H	α-helix	trans	-60.9	-41.7	179.1	-71.9	-157.9	0	0	0	111.9	W522 I597 Q598 L604 R605 L615	W522-H601 AromaticContact CZ2-CE1 3.84Å; I597-H601 WeakPolarHBondContact CG2-NE2 3.23Å; I597-H601 PolarHBondContact O-CD2 2.99Å; I597-H601 PolarHBondContact O-N 2.85Å; Q598-H601 WeakPolarHBondContact O-CB 3.16Å; Q598-H601 PolarHBondContact O-N 2.88Å; H601-L604 PolarHBondContact O-N 3.19Å; H601-R605 VanDerWaalsContact O-CB 3.24Å; H601-R605 WeakPolarHBondContact O-CB 3.4Å; H601-R605 PolarHBondContact O-N 2.88Å; H601-L615 HydrophobicContact CB-CD2 3.93Å
602	E	48.8	Very low	53.3	Low	103 Å²	103	38 Å²	38	48%	0.481	19%	0.193	S	C	.	.	H	α-helix	trans	-68.5	-37.8	178.1	-164.1	71.5	168.2	0	0	111.9	Q598 V600 H606	Q598-E602 WeakPolarHBondContact O-CB 3.35Å; Q598-E602 PolarHBondContact O-N 2.85Å; V600-E602 VanDerWaalsContact C-N 3.33Å; V600-E602 PolarHBondContact O-N 2.9Å; E602-H606 WeakPolarHBondContact O-CB 3.1Å; E602-H606 PolarHBondContact O-N 3.41Å; E602-H606 VanDerWaalsContact O-N 3.08Å; E602-H606 PolarHBondContact O-ND1 3.03Å; E602-H606 IonicContact OE1-CE1 2.68Å; E602-H606 PolarHBondContact OE1-CE1 3.39Å; E602-H606 VanDerWaalsContact OE1-CE1 3.25Å; E602-H606 IonicContact OE1-ND1 3.39Å; E602-H606 IonicContact OE2-CE1 3.61Å
603	I	48.1	Very low	55.8	Low	10 Å²	10	35.3 Å²	35.3	5%	0.051	18%	0.179	C	C	.	.	H	α-helix	trans	-60.8	-50	169.2	-82	164.4	0	0	0	110.9	Y599 V600 R605 H606 I607 K691	Y599-I603 HydrophobicContact CD1-CD1 3.59Å; Y599-I603 HydrophobicContact CE1-CD1 3.14Å; Y599-I603 HydrophobicContact CE1-CG1 4.24Å; Y599-I603 HydrophobicContact CE2-CD1 4.22Å; Y599-I603 HydrophobicContact CG-CD1 4.3Å; Y599-I603 VanDerWaalsContact CZ-CD1 3.49Å; Y599-I603 VanDerWaalsContact O-CB 3.29Å; Y599-I603 WeakPolarHBondContact O-CB 3.23Å; Y599-I603 VanDerWaalsContact O-CG1 3.3Å; Y599-I603 WeakPolarHBondContact O-CG1 3.3Å; Y599-I603 PolarHBondContact O-N 3.17Å; V600-I603 WeakPolarHBondContact O-CB 3.41Å; V600-I603 PolarHBondContact O-N 2.9Å; I603-R605 PolarHBondContact O-N 3.44Å; I603-H606 PolarHBondContact O-N 2.95Å; I603-H606 VanDerWaalsContact O-N 3.14Å; I603-I607 HydrophobicContact CG2-CD1 4.13Å; I603-I607 HydrophobicContact CG2-CG1 4.45Å; I603-I607 WeakPolarHBondContact O-CA 3.36Å; I603-I607 WeakPolarHBondContact O-CB 3.26Å; I603-I607 WeakPolarHBondContact O-CG1 3.39Å; I603-I607 PolarHBondContact O-N 2.85Å; I603-K691 HydrophobicContact CD1-CB 4.28Å; I603-K691 HydrophobicContact CD1-CG 3.66Å; I603-K691 HydrophobicContact CG1-CG 4.15Å; I603-K691 HydrophobicContact CG2-CD 4.32Å; I603-K691 HydrophobicContact CG2-CG 3.89Å
604	L	52.6	Low	57.8	Low	8 Å²	8	36.9 Å²	36.9	4%	0.042	19%	0.187	C	C	.	.	H	α-helix	trans	-64.3	-31.7	-177.2	-69.7	176.6	0	0	0	111.9	V600 H601 I612 L615 F717	V600-L604 HydrophobicContact CG1-CD1 3.69Å; V600-L604 HydrophobicContact CG1-CG 4.12Å; V600-L604 WeakPolarHBondContact O-CB 3.41Å; V600-L604 WeakPolarHBondContact O-CG 3.34Å; V600-L604 PolarHBondContact O-N 3.48Å; H601-L604 PolarHBondContact O-N 3.19Å; L604-I612 HydrophobicContact CD2-CG2 3.42Å; L604-I612 VanDerWaalsContact CD2-CG2 3.42Å; L604-L615 HydrophobicContact CB-CB 4.5Å; L604-F717 HydrophobicContact CD1-CB 4.46Å; L604-F717 HydrophobicContact CD1-CD1 4.45Å; L604-F717 HydrophobicContact CD1-CD2 3.34Å; L604-F717 HydrophobicContact CD1-CE2 3.62Å; L604-F717 HydrophobicContact CD1-CG 3.82Å; L604-F717 HydrophobicContact CD1-CZ 4.32Å; L604-F717 HydrophobicContact CD2-CE2 4.21Å; L604-F717 HydrophobicContact CD2-CZ 4.32Å
605	R	49.2	Very low	59.4	Low	63 Å²	63	37.9 Å²	37.9	24%	0.238	19%	0.192	C	C	.	.	H	α-helix	trans	-71.6	-33.5	174	179.9	177.2	171.2	126.7	-2.1	113.4	C78 P82 H601 I603	C78-R605 PolarHBondContact O-NH2 3.35Å; P82-R605 VanDerWaalsContact CG-O 3.26Å; P82-R605 WeakPolarHBondContact CG-O 3.49Å; H601-R605 VanDerWaalsContact O-CB 3.24Å; H601-R605 WeakPolarHBondContact O-CB 3.4Å; H601-R605 PolarHBondContact O-N 2.88Å; I603-R605 PolarHBondContact O-N 3.44Å
606	H	47.2	Very low	61	Low	54 Å²	54	32.1 Å²	32.1	25%	0.25	17%	0.168	C	C	.	.	H	α-helix	trans	-101.8	-17.1	-176.5	-69.4	89.6	0	0	0	114.7	E602 I603 Y689	E602-H606 WeakPolarHBondContact O-CB 3.1Å; E602-H606 PolarHBondContact O-N 3.41Å; E602-H606 VanDerWaalsContact O-N 3.08Å; E602-H606 PolarHBondContact O-ND1 3.03Å; E602-H606 IonicContact OE1-CE1 2.68Å; E602-H606 PolarHBondContact OE1-CE1 3.39Å; E602-H606 VanDerWaalsContact OE1-CE1 3.25Å; E602-H606 IonicContact OE1-ND1 3.39Å; E602-H606 IonicContact OE2-CE1 3.61Å; I603-H606 PolarHBondContact O-N 2.95Å; I603-H606 VanDerWaalsContact O-N 3.14Å; H606-Y689 HydrophobicContact CB-CD2 4.44Å
607	I	52.6	Low	61.9	Low	24 Å²	24	31.7 Å²	31.7	12%	0.123	17%	0.165	C	C	.	.			trans	-121.6	82.6	-179.1	-43	-176.4	0	0	0	109.3	I603 H609 F671 K691	I603-I607 HydrophobicContact CG2-CD1 4.13Å; I603-I607 HydrophobicContact CG2-CG1 4.45Å; I603-I607 WeakPolarHBondContact O-CA 3.36Å; I603-I607 WeakPolarHBondContact O-CB 3.26Å; I603-I607 WeakPolarHBondContact O-CG1 3.39Å; I603-I607 PolarHBondContact O-N 2.85Å; I607-H609 PolarHBondContact O-N 3.47Å; I607-F671 HydrophobicContact CB-CZ 3.92Å; I607-F671 HydrophobicContact CG2-CE2 3.61Å; I607-F671 HydrophobicContact CG2-CZ 3.43Å; I607-F671 VanDerWaalsContact CG2-CZ 3.43Å; I607-K691 HydrophobicContact CD1-CB 3.96Å; I607-K691 HydrophobicContact CD1-CD 4.38Å; I607-K691 HydrophobicContact CD1-CG 4.2Å
608	G	62	Low	62.8	Low	37 Å²	37	33.5 Å²	33.5	38%	0.381	18%	0.181	S	C	.	.			trans	-57.4	125.6	167.2	0	0	0	0	0	110.4
609	H	76.9	Confident	63.6	Low	44 Å²	44	32.9 Å²	32.9	20%	0.204	18%	0.182	C	C	.	.			trans	-133.3	129.2	175	-176.6	-91.5	0	0	0	109	I607 N611 I612 F671	I607-H609 PolarHBondContact O-N 3.47Å; H609-N611 PolarHBondContact ND1-N 3.27Å; H609-N611 VanDerWaalsContact ND1-N 3.18Å; H609-N611 PolarHBondContact O-N 2.78Å; H609-I612 HydrophobicContact CB-CB 4.23Å; H609-I612 HydrophobicContact CB-CG1 3.9Å; H609-I612 PolarHBondContact O-N 3.45Å; H609-F671 HydrophobicContact CB-CD1 3.98Å; H609-F671 HydrophobicContact CB-CD2 4.48Å; H609-F671 HydrophobicContact CB-CE1 4.03Å; H609-F671 HydrophobicContact CB-CG 4.21Å; H609-F671 HydrophobicContact CB-CZ 4.31Å; H609-F671 AromaticContact CD2-CD2 3.8Å; H609-F671 AromaticContact CD2-CG 3.72Å; H609-F671 AromaticContact CG-CD1 3.94Å; H609-F671 AromaticContact CG-CG 3.78Å
610	P	84.1	Confident	64.5	Low	84 Å²	84	31.7 Å²	31.7	55%	0.545	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-17.9	-171.7	24.8	-35.8	0	0	0	113.9	R707	P610-R707 PolarHBondContact O-NH1 3.43Å; P610-R707 PolarHBondContact O-NH2 3.18Å
611	N	93.3	Very high	65.1	Low	4 Å²	4	31.7 Å²	31.7	2%	0.021	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	23.2	176	-48.3	108.8	0	0	0	114.1	H609 D664 Q667 V712 C713 L714	H609-N611 PolarHBondContact ND1-N 3.27Å; H609-N611 VanDerWaalsContact ND1-N 3.18Å; H609-N611 PolarHBondContact O-N 2.78Å; N611-D664 WeakPolarHBondContact CB-O 3.29Å; N611-D664 VanDerWaalsContact CG-O 3.24Å; N611-D664 WeakPolarHBondContact ND2-CA 3.31Å; N611-D664 WeakPolarHBondContact ND2-CB 3.39Å; N611-D664 PolarHBondContact ND2-OD1 2.98Å; N611-Q667 HydrophobicContact CB-CB 4.46Å; N611-Q667 VanDerWaalsContact OD1-CB 3.25Å; N611-Q667 WeakPolarHBondContact OD1-CB 3.4Å; N611-V712 WeakPolarHBondContact CA-O 3.42Å; N611-V712 WeakPolarHBondContact CB-O 3.31Å; N611-V712 PolarHBondContact ND2-O 3.39Å; N611-C713 VanDerWaalsContact C-CB 3.49Å; N611-C713 VanDerWaalsContact O-CA 3.3Å; N611-C713 WeakPolarHBondContact O-CA 3.34Å; N611-L714 PolarHBondContact O-N 2.87Å
612	I	85.9	Confident	65.7	Low	7 Å²	7	35 Å²	35	4%	0.036	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-125.8	143	170.1	-57.9	-64	0	0	0	108.5	L604 H609 L614 F671 L672 R707 L714 F717	L604-I612 HydrophobicContact CD2-CG2 3.42Å; L604-I612 VanDerWaalsContact CD2-CG2 3.42Å; H609-I612 HydrophobicContact CB-CB 4.23Å; H609-I612 HydrophobicContact CB-CG1 3.9Å; H609-I612 PolarHBondContact O-N 3.45Å; I612-L614 PolarHBondContact O-N 3.36Å; I612-F671 HydrophobicContact CD1-CD1 4.28Å; I612-F671 HydrophobicContact CG1-CD1 3.78Å; I612-F671 HydrophobicContact CG1-CE1 4.19Å; I612-L672 HydrophobicContact CD1-CD1 3.98Å; I612-L672 HydrophobicContact CD1-CD2 3.97Å; I612-L672 HydrophobicContact CD1-CG 3.75Å; I612-R707 PolarHBondContact O-NH2 3.41Å; I612-L714 HydrophobicContact CD1-CB 4.03Å; I612-L714 HydrophobicContact CD1-CD1 4.12Å; I612-L714 HydrophobicContact CD1-CG 4.28Å; I612-F717 HydrophobicContact CD1-CZ 4.28Å; I612-F717 HydrophobicContact CG2-CE2 3.89Å; I612-F717 HydrophobicContact CG2-CZ 3.68Å
613	V	83.6	Confident	66.5	Low	5 Å²	5	31.9 Å²	31.9	3%	0.03	19%	0.185	C	C	.	.			trans	-68.4	130	175.9	73.9	0	0	0	0	110.2	L615 M635 E636 L705 L714 F717	V613-L615 PolarHBondContact O-N 3.09Å; V613-M635 HydrophobicContact CG1-SD 4.31Å; V613-M635 HydrophobicContact CG2-CB 4.27Å; V613-E636 WeakPolarHBondContact CA-OE1 3.43Å; V613-E636 HydrophobicContact CG2-CG 3.58Å; V613-L705 HydrophobicContact CG2-CD1 4.34Å; V613-L714 WeakPolarHBondContact CG1-O 3.47Å; V613-L714 PolarHBondContact N-O 3.4Å; V613-F717 HydrophobicContact CG1-CE2 4.09Å
614	L	77	Confident	66.7	Low	51 Å²	51	32.5 Å²	32.5	27%	0.267	19%	0.19	S	C	.	.			trans	-70.7	115.3	177.9	-177.8	61.8	0	0	0	110.2	I612 L616 M635 E636	I612-L614 PolarHBondContact O-N 3.36Å; L614-L616 HydrophobicContact CD2-CD2 3.69Å; L614-L616 HydrophobicContact CG-CD2 3.94Å; L614-L616 PolarHBondContact O-N 3.1Å; L614-M635 VanDerWaalsContact O-CA 3.31Å; L614-M635 WeakPolarHBondContact O-CA 3.13Å; L614-E636 HydrophobicContact CB-CB 4.23Å; L614-E636 HydrophobicContact CB-CG 3.96Å; L614-E636 PolarHBondContact N-OE1 2.87Å; L614-E636 PolarHBondContact O-N 2.84Å
615	L	69	Low	66.6	Low	24 Å²	24	41.3 Å²	41.3	13%	0.126	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	110.3	166.7	-180	66.1	0	0	0	108.3	H601 L604 V613 L633 M635	H601-L615 HydrophobicContact CB-CD2 3.93Å; L604-L615 HydrophobicContact CB-CB 4.5Å; V613-L615 PolarHBondContact O-N 3.09Å; L615-L633 HydrophobicContact CD1-CD2 4.42Å; L615-M635 HydrophobicContact CD1-CG 4.04Å
616	L	68.8	Low	67	Low	12 Å²	12	40 Å²	40	6%	0.063	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-51.5	178.3	-68.8	-177.7	0	0	0	110	W79 V509 L614 V634 M635	W79-L616 HydrophobicContact CH2-CB 3.47Å; W79-L616 VanDerWaalsContact CH2-CB 3.47Å; W79-L616 HydrophobicContact CH2-CD1 4.2Å; W79-L616 HydrophobicContact CH2-CD2 3.72Å; W79-L616 HydrophobicContact CH2-CG 3.97Å; W79-L616 VanDerWaalsContact CZ2-C 3.46Å; W79-L616 HydrophobicContact CZ2-CB 3.6Å; W79-L616 WeakPolarHBondContact CZ2-O 3.34Å; W79-L616 HydrophobicContact CZ3-CB 4.34Å; W79-L616 HydrophobicContact CZ3-CD2 3.85Å; W79-L616 PolarHBondContact NE1-O 2.81Å; W79-L616 VanDerWaalsContact NE1-O 3.11Å; V509-L616 HydrophobicContact CB-CD1 4.26Å; V509-L616 HydrophobicContact CG1-CD1 3.56Å; L614-L616 HydrophobicContact CD2-CD2 3.69Å; L614-L616 HydrophobicContact CG-CD2 3.94Å; L614-L616 PolarHBondContact O-N 3.1Å; L616-V634 WeakPolarHBondContact CA-O 3.4Å; L616-V634 HydrophobicContact CB-CB 4.38Å; L616-V634 HydrophobicContact CB-CG1 4.1Å; L616-V634 WeakPolarHBondContact CB-O 3.5Å; L616-V634 HydrophobicContact CD1-CG1 4.31Å; L616-V634 PolarHBondContact N-O 2.84Å; L616-M635 VanDerWaalsContact CD1-C 3.47Å; L616-M635 WeakPolarHBondContact CD1-O 3.31Å
617	G	59.7	Low	67.6	Low	3 Å²	3	44.1 Å²	44.1	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	171.5	178.8	0	0	0	0	0	114	V634	G617-V634 PolarHBondContact N-O 2.79Å; G617-V634 PolarHBondContact O-N 3.03Å
618	A	64.4	Low	68.2	Low	44 Å²	44	46.9 Å²	46.9	36%	0.364	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	123	177.4	0	0	0	0	0	108.9	R632 L633	A618-R632 WeakPolarHBondContact CA-O 3.26Å; A618-L633 HydrophobicContact CB-CD2 3.5Å
619	G	60.6	Low	68.3	Low	15 Å²	15	46.9 Å²	46.9	16%	0.155	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	-178	-174.8	0	0	0	0	0	113	R632	G619-R632 PolarHBondContact N-O 2.71Å; G619-R632 PolarHBondContact O-N 2.85Å
620	S	66.8	Low	67.8	Low	41 Å²	41	46.6 Å²	46.6	29%	0.287	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.7	174.9	57.9	0	0	0	0	110.2	E630	S620-E630 CarbonylContact C-O 3.17Å; S620-E630 VanDerWaalsContact CA-O 3.26Å; S620-E630 WeakPolarHBondContact CA-O 3.33Å
621	V	63.1	Low	67	Low	3 Å²	3	44 Å²	44	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119.5	174.4	-179.2	0	0	0	0	107	T61 E630 R632	T61-V621 HydrophobicContact CG2-CG2 3.93Å; V621-E630 PolarHBondContact N-O 2.66Å; V621-E630 WeakPolarHBondContact O-CB 3.38Å; V621-E630 PolarHBondContact O-N 2.98Å; V621-R632 HydrophobicContact CG2-CG 4.42Å
622	Q	66.8	Low	65.8	Low	98 Å²	98	45.6 Å²	45.6	46%	0.458	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	124.7	171.8	177.9	179.7	-10.8	0	0	108	C624	Q622-C624 PolarHBondContact O-N 3.45Å
623	L	64.1	Low	64.9	Low	39 Å²	39	46.3 Å²	46.3	20%	0.204	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-75.3	119.6	179.4	-65.3	178.6	0	0	0	109.2	N153 S626 I628 E630	N153-L623 WeakPolarHBondContact ND2-CD2 3.43Å; L623-S626 PolarHBondContact O-N 3.47Å; L623-S626 VanDerWaalsContact O-N 3.09Å; L623-S626 PolarHBondContact O-OG 3.04Å; L623-I628 PolarHBondContact N-O 3.15Å; L623-I628 VanDerWaalsContact N-O 3.1Å; L623-E630 HydrophobicContact CD1-CG 3.82Å; L623-E630 HydrophobicContact CD2-CG 4.13Å; L623-E630 HydrophobicContact CG-CG 3.87Å
624	C	52.3	Low	64.4	Low	23 Å²	23	47.1 Å²	47.1	16%	0.155	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47	140.9	176.8	-71.8	0	0	0	0	113.1	S63 R64 E65 L152 Q622 S626	S63-C624 WeakPolarHBondContact CB-SG 3.43Å; S63-C624 PolarHBondContact OG-SG 3.42Å; R64-C624 WeakPolarHBondContact O-CB 3.47Å; R64-C624 PolarHBondContact O-SG 3.14Å; E65-C624 HydrophobicContact CG-CB 4.46Å; L152-C624 HydrophobicContact CD1-CB 4.37Å; Q622-C624 PolarHBondContact O-N 3.45Å; C624-S626 PolarHBondContact O-N 3.11Å
625	R	51.9	Low	64.3	Low	193 Å²	193	46.2 Å²	46.2	73%	0.728	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.1	8.2	-174.4	-50.4	-178.8	-178.3	-173.3	-2.8	116.4	E65	E65-R625 VanDerWaalsContact O-CZ 3.25Å; E65-R625 PolarHBondContact O-NE 3.1Å; E65-R625 PolarHBondContact O-NH2 3.35Å
626	S	57.1	Low	64.8	Low	34 Å²	34	46.4 Å²	46.4	24%	0.238	25%	0.247	C	C	.	.	S	Bend	trans	-129.3	155	175.9	80.7	0	0	0	0	112.3	L623 C624 I628	L623-S626 PolarHBondContact O-N 3.47Å; L623-S626 VanDerWaalsContact O-N 3.09Å; L623-S626 PolarHBondContact O-OG 3.04Å; C624-S626 PolarHBondContact O-N 3.11Å; S626-I628 PolarHBondContact O-N 3.09Å; S626-I628 WeakPolarHBondContact OG-CB 3.41Å; S626-I628 PolarHBondContact OG-N 3.48Å; S626-I628 VanDerWaalsContact OG-N 3.12Å; S626-I628 PolarHBondContact OG-O 3.12Å
627	T	59.6	Low	65.6	Low	142 Å²	142	50.9 Å²	50.9	87%	0.871	27%	0.266	S	S	*	.	S	Bend	trans	-77.3	7.5	164.7	52.4	0	0	0	0	112.2
628	I	64.7	Low	67	Low	82 Å²	82	51.1 Å²	51.1	42%	0.421	27%	0.268	S	S	.	.			trans	-89.7	115.9	-174.2	-53.1	172.2	0	0	0	108.7	A516 L623 S626	A516-I628 HydrophobicContact CB-CG2 4.23Å; L623-I628 PolarHBondContact N-O 3.15Å; L623-I628 VanDerWaalsContact N-O 3.1Å; S626-I628 PolarHBondContact O-N 3.09Å; S626-I628 WeakPolarHBondContact OG-CB 3.41Å; S626-I628 PolarHBondContact OG-N 3.48Å; S626-I628 VanDerWaalsContact OG-N 3.12Å; S626-I628 PolarHBondContact OG-O 3.12Å
629	T	65.2	Low	68.1	Low	36 Å²	36	52.1 Å²	52.1	22%	0.221	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	120.1	166.8	-50.9	0	0	0	0	108.8	Y631	T629-Y631 HydrophobicContact CG2-CD2 4.22Å; T629-Y631 HydrophobicContact CG2-CE1 4.07Å; T629-Y631 HydrophobicContact CG2-CE2 3.57Å; T629-Y631 WeakPolarHBondContact O-CE2 3.34Å
630	E	65.7	Low	69.5	Low	39 Å²	39	53.2 Å²	53.2	18%	0.182	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	144.7	162.1	-77.2	-172.4	168.8	0	0	110	S620 V621 L623 R632	S620-E630 CarbonylContact C-O 3.17Å; S620-E630 VanDerWaalsContact CA-O 3.26Å; S620-E630 WeakPolarHBondContact CA-O 3.33Å; V621-E630 PolarHBondContact N-O 2.66Å; V621-E630 WeakPolarHBondContact O-CB 3.38Å; V621-E630 PolarHBondContact O-N 2.98Å; L623-E630 HydrophobicContact CD1-CG 3.82Å; L623-E630 HydrophobicContact CD2-CG 4.13Å; L623-E630 HydrophobicContact CG-CG 3.87Å; E630-R632 IonicContact OE2-CZ 3.66Å; E630-R632 VanDerWaalsContact OE2-CZ 3.26Å; E630-R632 IonicContact OE2-NE 2.75Å; E630-R632 PolarHBondContact OE2-NE 3.39Å; E630-R632 IonicContact OE2-NH2 3.95Å; E630-R632 PolarHBondContact OE2-NH2 3.28Å
631	Y	67.3	Low	70.7	Confident	30 Å²	30	52.1 Å²	52.1	12%	0.118	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	140.2	170.8	-63	-95.4	0	0	0	108.7	T513 F514 Y519 F529 T629	T513-Y631 CarbonylContact C-O 3.52Å; T513-Y631 WeakPolarHBondContact CA-O 3.15Å; F514-Y631 PolarHBondContact N-O 3.35Å; F514-Y631 PolarHBondContact O-N 2.65Å; F514-Y631 VanDerWaalsContact O-N 3.08Å; Y519-Y631 HydrophobicContact CD1-CD1 4.48Å; Y519-Y631 AromaticContact CD1-CD2 3.39Å; Y519-Y631 HydrophobicContact CD1-CD2 3.39Å; Y519-Y631 HydrophobicContact CD1-CE1 4.28Å; Y519-Y631 AromaticContact CD1-CE2 3.14Å; Y519-Y631 HydrophobicContact CD1-CE2 3.14Å; Y519-Y631 HydrophobicContact CD1-CG 4.06Å; Y519-Y631 AromaticContact CD1-CZ 3.61Å; Y519-Y631 AromaticContact CD2-CD1 3.65Å; Y519-Y631 HydrophobicContact CD2-CD1 3.65Å; Y519-Y631 AromaticContact CD2-CD2 3.46Å; Y519-Y631 HydrophobicContact CD2-CD2 3.46Å; Y519-Y631 VanDerWaalsContact CD2-CD2 3.46Å; Y519-Y631 HydrophobicContact CD2-CE1 4.13Å; Y519-Y631 AromaticContact CD2-CE2 3.98Å; Y519-Y631 HydrophobicContact CD2-CE2 3.98Å; Y519-Y631 AromaticContact CD2-CG 3.26Å; Y519-Y631 HydrophobicContact CD2-CG 3.26Å; Y519-Y631 HydrophobicContact CE1-CD1 4.17Å; Y519-Y631 AromaticContact CE1-CD2 3.76Å; Y519-Y631 HydrophobicContact CE1-CD2 3.76Å; Y519-Y631 AromaticContact CE1-CE1 3.64Å; Y519-Y631 HydrophobicContact CE1-CE1 3.64Å; Y519-Y631 AromaticContact CE1-CE2 3.19Å; Y519-Y631 HydrophobicContact CE1-CE2 3.19Å; Y519-Y631 HydrophobicContact CE1-CG 4.21Å; Y519-Y631 AromaticContact CE1-CZ 3.09Å; Y519-Y631 VanDerWaalsContact CE1-OH 3.26Å; Y519-Y631 WeakPolarHBondContact CE1-OH 3.46Å; Y519-Y631 AromaticContact CE2-CD1 3.31Å; Y519-Y631 HydrophobicContact CE2-CD1 3.31Å; Y519-Y631 AromaticContact CE2-CD2 3.87Å; Y519-Y631 HydrophobicContact CE2-CD2 3.87Å; Y519-Y631 AromaticContact CE2-CE1 3.5Å; Y519-Y631 HydrophobicContact CE2-CE1 3.5Å; Y519-Y631 HydrophobicContact CE2-CE2 4.06Å; Y519-Y631 AromaticContact CE2-CG 3.49Å; Y519-Y631 HydrophobicContact CE2-CG 3.49Å; Y519-Y631 VanDerWaalsContact CE2-CG 3.49Å; Y519-Y631 AromaticContact CE2-CZ 3.86Å; Y519-Y631 HydrophobicContact CG-CD1 4.2Å; Y519-Y631 AromaticContact CG-CD2 3.16Å; Y519-Y631 HydrophobicContact CG-CD2 3.16Å; Y519-Y631 HydrophobicContact CG-CE1 4.45Å; Y519-Y631 AromaticContact CG-CE2 3.5Å; Y519-Y631 HydrophobicContact CG-CE2 3.5Å; Y519-Y631 AromaticContact CG-CG 3.55Å; Y519-Y631 HydrophobicContact CG-CG 3.55Å; Y519-Y631 AromaticContact CZ-CD1 3.56Å; Y519-Y631 AromaticContact CZ-CD2 3.97Å; Y519-Y631 AromaticContact CZ-CE1 3.18Å; Y519-Y631 AromaticContact CZ-CE2 3.65Å; Y519-Y631 AromaticContact CZ-CG 3.92Å; Y519-Y631 AromaticContact CZ-CZ 3.2Å; Y519-Y631 WeakPolarHBondContact OH-CE1 3.41Å; Y519-Y631 PolarHBondContact OH-OH 2.84Å; F529-Y631 HydrophobicContact CD1-CE1 4.04Å; F529-Y631 AromaticContact CE1-CD1 3.9Å; F529-Y631 HydrophobicContact CE1-CD1 3.9Å; F529-Y631 AromaticContact CE1-CE1 3.66Å; F529-Y631 HydrophobicContact CE1-CE1 3.66Å; F529-Y631 HydrophobicContact CE2-CD1 4.3Å; F529-Y631 AromaticContact CZ-CD1 3.71Å; F529-Y631 HydrophobicContact CZ-CD1 3.71Å; F529-Y631 AromaticContact CZ-CE1 3.95Å; F529-Y631 HydrophobicContact CZ-CE1 3.95Å; T629-Y631 HydrophobicContact CG2-CD2 4.22Å; T629-Y631 HydrophobicContact CG2-CE1 4.07Å; T629-Y631 HydrophobicContact CG2-CE2 3.57Å; T629-Y631 WeakPolarHBondContact O-CE2 3.34Å
632	R	68.5	Low	72.3	Confident	36 Å²	36	52.7 Å²	52.7	14%	0.136	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	124.7	-169.9	-56	-165.6	175.6	172.8	-3.5	110.2	V511 K512 T513 A618 G619 V621 E630	V511-R632 HydrophobicContact CG1-CB 4.14Å; V511-R632 HydrophobicContact CG1-CG 4.49Å; K512-R632 WeakPolarHBondContact O-CA 3.46Å; T513-R632 HydrophobicContact CG2-CG 4.11Å; A618-R632 WeakPolarHBondContact CA-O 3.26Å; G619-R632 PolarHBondContact N-O 2.71Å; G619-R632 PolarHBondContact O-N 2.85Å; V621-R632 HydrophobicContact CG2-CG 4.42Å; E630-R632 IonicContact OE2-CZ 3.66Å; E630-R632 VanDerWaalsContact OE2-CZ 3.26Å; E630-R632 IonicContact OE2-NE 2.75Å; E630-R632 PolarHBondContact OE2-NE 3.39Å; E630-R632 IonicContact OE2-NH2 3.95Å; E630-R632 PolarHBondContact OE2-NH2 3.28Å
633	L	67.6	Low	73.8	Confident	22 Å²	22	48 Å²	48	12%	0.115	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.3	164.5	-62.9	176.2	0	0	0	108.2	V511 K512 F514 L615 A618	V511-L633 CarbonylContact C-O 3.49Å; V511-L633 WeakPolarHBondContact CA-O 3.22Å; K512-L633 HydrophobicContact CB-CB 4.43Å; K512-L633 PolarHBondContact N-O 3.26Å; K512-L633 PolarHBondContact O-N 3.12Å; F514-L633 HydrophobicContact CE2-CB 4.43Å; F514-L633 HydrophobicContact CE2-CD1 3.73Å; F514-L633 HydrophobicContact CE2-CG 3.79Å; F514-L633 HydrophobicContact CZ-CD1 3.83Å; F514-L633 HydrophobicContact CZ-CG 4.41Å; L615-L633 HydrophobicContact CD1-CD2 4.42Å; A618-L633 HydrophobicContact CB-CD2 3.5Å
634	V	71.9	Confident	75.3	Confident	22 Å²	22	47.3 Å²	47.3	13%	0.133	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.6	175.5	-171.5	0	0	0	0	107.6	V509 A510 V511 L616 G617	V509-V634 HydrophobicContact CB-CG1 3.98Å; V509-V634 HydrophobicContact CG1-CG1 4.43Å; V509-V634 HydrophobicContact CG2-CG1 4.1Å; A510-V634 CarbonylContact O-C 3.33Å; A510-V634 WeakPolarHBondContact O-CA 3.25Å; V511-V634 HydrophobicContact CG2-CG1 4.49Å; V511-V634 HydrophobicContact CG2-CG2 4.41Å; L616-V634 WeakPolarHBondContact CA-O 3.4Å; L616-V634 HydrophobicContact CB-CB 4.38Å; L616-V634 HydrophobicContact CB-CG1 4.1Å; L616-V634 WeakPolarHBondContact CB-O 3.5Å; L616-V634 HydrophobicContact CD1-CG1 4.31Å; L616-V634 PolarHBondContact N-O 2.84Å; G617-V634 PolarHBondContact N-O 2.79Å; G617-V634 PolarHBondContact O-N 3.03Å
635	M	75.8	Confident	77.4	Confident	33 Å²	33	51.1 Å²	51.1	16%	0.163	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	164.1	-177.2	-63.2	169.6	-65	0	0	109.5	A510 K512 V613 L614 L615 L616	A510-M635 HydrophobicContact CB-CB 4.37Å; A510-M635 PolarHBondContact N-O 3.2Å; A510-M635 PolarHBondContact O-N 3.36Å; K512-M635 HydrophobicContact CB-CE 4.15Å; V613-M635 HydrophobicContact CG1-SD 4.31Å; V613-M635 HydrophobicContact CG2-CB 4.27Å; L614-M635 VanDerWaalsContact O-CA 3.31Å; L614-M635 WeakPolarHBondContact O-CA 3.13Å; L615-M635 HydrophobicContact CD1-CG 4.04Å; L616-M635 VanDerWaalsContact CD1-C 3.47Å; L616-M635 WeakPolarHBondContact CD1-O 3.31Å
636	E	78.8	Confident	79.4	Confident	28 Å²	28	43.9 Å²	43.9	13%	0.131	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	146.9	169.5	65	175.5	146.3	0	0	111.3	V613 L614 R707	V613-E636 WeakPolarHBondContact CA-OE1 3.43Å; V613-E636 HydrophobicContact CG2-CG 3.58Å; L614-E636 HydrophobicContact CB-CB 4.23Å; L614-E636 HydrophobicContact CB-CG 3.96Å; L614-E636 PolarHBondContact N-OE1 2.87Å; L614-E636 PolarHBondContact O-N 2.84Å; E636-R707 VanDerWaalsContact CD-NE 3.32Å; E636-R707 IonicContact OE1-CZ 3.51Å; E636-R707 IonicContact OE1-NE 3.82Å; E636-R707 PolarHBondContact OE1-NE 3.14Å; E636-R707 IonicContact OE1-NH2 2.82Å; E636-R707 PolarHBondContact OE1-NH2 3.03Å; E636-R707 IonicContact OE2-CZ 3.81Å; E636-R707 IonicContact OE2-NE 3.81Å; E636-R707 PolarHBondContact OE2-NE 3.44Å; E636-R707 IonicContact OE2-NH2 2.59Å
637	F	86	Confident	81.1	Confident	106 Å²	106	42.3 Å²	42.3	47%	0.465	24%	0.235	S	C	.	.			trans	-90.6	108.8	173.9	-176	-105.4	0	0	0	111.3	P508 A510 S639	P508-F637 VanDerWaalsContact C-CB 3.44Å; P508-F637 HydrophobicContact CB-CB 3.82Å; P508-F637 HydrophobicContact CB-CD1 3.72Å; P508-F637 HydrophobicContact CB-CE1 4.49Å; P508-F637 HydrophobicContact CB-CG 3.89Å; P508-F637 HydrophobicContact CG-CB 4.05Å; P508-F637 HydrophobicContact CG-CD1 3.65Å; P508-F637 HydrophobicContact CG-CE1 4.5Å; P508-F637 HydrophobicContact CG-CG 4.18Å; P508-F637 WeakPolarHBondContact O-CB 3.17Å; P508-F637 PolarHBondContact O-N 3.33Å; A510-F637 HydrophobicContact CB-CD2 4.4Å; F637-S639 PolarHBondContact O-N 3.06Å; F637-S639 VanDerWaalsContact O-N 3.14Å
638	A	88	Confident	82.8	Confident	7 Å²	7	38.8 Å²	38.8	6%	0.058	22%	0.217	C	C	.	.			trans	-79.8	92	173.2	0	0	0	0	0	110.5	G640 G641 L705 I706 R707	A638-G640 PolarHBondContact O-N 3.2Å; A638-G640 VanDerWaalsContact O-N 3.14Å; A638-G641 PolarHBondContact O-N 3.1Å; A638-L705 HydrophobicContact CB-CB 3.55Å; A638-L705 HydrophobicContact CB-CD1 3.99Å; A638-L705 HydrophobicContact CB-CG 4.35Å; A638-I706 CarbonylContact C-O 3.47Å; A638-R707 HydrophobicContact CB-CG 4.41Å
639	S	89.3	Confident	84	Confident	65 Å²	65	40.7 Å²	40.7	46%	0.455	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-13	-169.4	68.4	0	0	0	0	116.3	F637 G641 F708	F637-S639 PolarHBondContact O-N 3.06Å; F637-S639 VanDerWaalsContact O-N 3.14Å; S639-G641 PolarHBondContact O-N 3.43Å; S639-F708 WeakPolarHBondContact OG-CA 3.42Å; S639-F708 WeakPolarHBondContact OG-CB 3.39Å; S639-F708 PolarHBondContact OG-N 3.28Å
640	G	88.8	Confident	84.9	Confident	38 Å²	38	39.2 Å²	39.2	39%	0.392	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-2.5	172.2	0	0	0	0	0	113.7	A638 I706	A638-G640 PolarHBondContact O-N 3.2Å; A638-G640 VanDerWaalsContact O-N 3.14Å; G640-I706 WeakPolarHBondContact CA-O 3.5Å; G640-I706 PolarHBondContact N-O 2.82Å
641	G	93.3	Very high	85.8	Confident	18 Å²	18	39.2 Å²	39.2	19%	0.186	23%	0.226	C	C	.	.			trans	76	-158.8	-179.9	0	0	0	0	0	112.9	A638 S639 L705 I706	A638-G641 PolarHBondContact O-N 3.1Å; S639-G641 PolarHBondContact O-N 3.43Å; G641-L705 CarbonylContact O-C 3.5Å; G641-L705 WeakPolarHBondContact O-CA 3.41Å; G641-I706 PolarHBondContact O-N 3.33Å
642	S	96.3	Very high	86.9	Confident	15 Å²	15	42.1 Å²	42.1	11%	0.105	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-92.4	157.4	177.4	68.7	0	0	0	0	113	R644 Q645 L646 E702 I704	S642-R644 PolarHBondContact O-N 3.2Å; S642-Q645 WeakPolarHBondContact O-CA 3.4Å; S642-Q645 WeakPolarHBondContact O-CB 3.41Å; S642-Q645 PolarHBondContact O-N 3.44Å; S642-Q645 PolarHBondContact OG-N 3.13Å; S642-L646 PolarHBondContact O-N 3.36Å; S642-L646 VanDerWaalsContact O-N 3.14Å; S642-E702 WeakPolarHBondContact CB-O 3.28Å; S642-I704 CarbonylContact C-O 3.41Å; S642-I704 VanDerWaalsContact CA-O 3.24Å; S642-I704 WeakPolarHBondContact CA-O 3.28Å
643	L	97.3	Very high	88	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-59.9	-32.4	173.9	178.3	60.9	0	0	0	111.4	Q645 L646 L647 I661 I665 P701 I704 I794 L798	L643-Q645 VanDerWaalsContact C-N 3.31Å; L643-Q645 PolarHBondContact O-N 3.33Å; L643-L646 HydrophobicContact CD1-CD2 4.1Å; L643-L646 PolarHBondContact O-N 3.48Å; L643-L647 HydrophobicContact CD1-CD1 4.13Å; L643-L647 HydrophobicContact CD1-CG 4Å; L643-L647 HydrophobicContact CD2-CD1 4.47Å; L643-L647 HydrophobicContact CG-CD1 3.87Å; L643-L647 HydrophobicContact CG-CG 4.23Å; L643-L647 WeakPolarHBondContact O-CB 3.03Å; L643-L647 VanDerWaalsContact O-CG 3.3Å; L643-L647 WeakPolarHBondContact O-CG 3.49Å; L643-L647 PolarHBondContact O-N 2.05Å; L643-I661 HydrophobicContact CD1-CG2 4.28Å; L643-I661 HydrophobicContact CD2-CG2 4.47Å; L643-I665 HydrophobicContact CD2-CD1 3.93Å; L643-P701 CarbonylContact C-O 3.52Å; L643-P701 HydrophobicContact CB-CB 4.17Å; L643-P701 WeakPolarHBondContact CB-O 3.48Å; L643-P701 HydrophobicContact CD2-CB 4.39Å; L643-P701 HydrophobicContact CG-CB 4.15Å; L643-P701 PolarHBondContact N-O 2.97Å; L643-P701 VanDerWaalsContact N-O 3.12Å; L643-I704 HydrophobicContact CB-CB 4.03Å; L643-I704 HydrophobicContact CB-CG2 3.93Å; L643-I704 HydrophobicContact CD2-CB 4.47Å; L643-I704 HydrophobicContact CD2-CD1 4.29Å; L643-I704 HydrophobicContact CD2-CG2 4.11Å; L643-I704 PolarHBondContact N-O 2.92Å; L643-I794 HydrophobicContact CD2-CG2 3.95Å; L643-L798 HydrophobicContact CD1-CD2 3.89Å; L643-L798 HydrophobicContact CD2-CD1 4.38Å; L643-L798 HydrophobicContact CD2-CD2 4.39Å; L643-L798 HydrophobicContact CD2-CG 4.38Å
644	R	96.8	Very high	89.2	Confident	25 Å²	25	42 Å²	42	9%	0.094	24%	0.242	C	C	.	.	H	α-helix	trans	-55.9	-45.6	169.8	174.6	61.1	70.3	-128.1	-20.8	111.3	S642 L647 S648 P701 E702 Y766 E797 H876 L878	S642-R644 PolarHBondContact O-N 3.2Å; R644-L647 PolarHBondContact O-N 2.96Å; R644-S648 VanDerWaalsContact O-CB 3.3Å; R644-S648 WeakPolarHBondContact O-CB 3.27Å; R644-S648 PolarHBondContact O-N 3.09Å; R644-S648 PolarHBondContact O-OG 3.47Å; R644-P701 HydrophobicContact CB-CB 3.99Å; R644-P701 PolarHBondContact N-O 3.13Å; R644-E702 HydrophobicContact CB-CG 3.9Å; R644-E702 HydrophobicContact CG-CG 4.12Å; R644-E702 IonicContact CZ-OE1 3.28Å; R644-E702 VanDerWaalsContact CZ-OE1 3.29Å; R644-E702 IonicContact CZ-OE2 3.75Å; R644-E702 IonicContact NE-OE1 2.66Å; R644-E702 PolarHBondContact NE-OE1 3.47Å; R644-E702 IonicContact NE-OE2 3.62Å; R644-E702 IonicContact NH2-OE1 3.57Å; R644-E702 PolarHBondContact NH2-OE1 3.25Å; R644-E702 IonicContact NH2-OE2 2.7Å; R644-E702 PolarHBondContact NH2-OE2 2.82Å; R644-E702 VanDerWaalsContact NH2-OE2 3.15Å; R644-Y766 PolarHBondContact NH2-OH 2.97Å; R644-E797 IonicContact CZ-OE2 2.77Å; R644-E797 IonicContact NH1-OE2 3.64Å; R644-E797 PolarHBondContact NH1-OE2 2.92Å; R644-E797 IonicContact NH2-OE2 3.86Å; R644-H876 PolarHBondContact NH1-CE1 3.15Å; R644-H876 PolarHBondContact NH1-NE2 3.19Å; R644-L878 VanDerWaalsContact CZ-CD2 3.42Å
645	Q	95	Very high	90.2	Very high	103 Å²	103	41.8 Å²	41.8	48%	0.481	24%	0.239	S	C	.	.	H	α-helix	trans	-64.9	-45.9	-179.7	-70.4	169.6	-35.4	0	0	111	S642 L643 L647 S648 Q649	S642-Q645 WeakPolarHBondContact O-CA 3.4Å; S642-Q645 WeakPolarHBondContact O-CB 3.41Å; S642-Q645 PolarHBondContact O-N 3.44Å; S642-Q645 PolarHBondContact OG-N 3.13Å; L643-Q645 VanDerWaalsContact C-N 3.31Å; L643-Q645 PolarHBondContact O-N 3.33Å; Q645-L647 VanDerWaalsContact C-N 3.35Å; Q645-L647 PolarHBondContact O-N 2.75Å; Q645-S648 PolarHBondContact O-N 3.14Å; Q645-Q649 VanDerWaalsContact O-CG 3.3Å; Q645-Q649 WeakPolarHBondContact O-CG 3.26Å; Q645-Q649 PolarHBondContact O-N 2.91Å; Q645-Q649 VanDerWaalsContact O-N 3.09Å
646	L	94.2	Very high	91	Very high	41 Å²	41	42.9 Å²	42.9	22%	0.215	25%	0.248	C	C	.	.	H	α-helix	trans	-57.1	-47.2	174.3	178.9	67.6	0	0	0	111.7	S642 L643 Q649 L653 I661 I706	S642-L646 PolarHBondContact O-N 3.36Å; S642-L646 VanDerWaalsContact O-N 3.14Å; L643-L646 HydrophobicContact CD1-CD2 4.1Å; L643-L646 PolarHBondContact O-N 3.48Å; L646-Q649 PolarHBondContact O-N 3.43Å; L646-L653 HydrophobicContact CD2-CD1 4.35Å; L646-L653 HydrophobicContact CD2-CD2 4.42Å; L646-I661 HydrophobicContact CD2-CD1 4Å; L646-I706 HydrophobicContact CB-CD1 3.87Å; L646-I706 HydrophobicContact CD2-CD1 3.73Å; L646-I706 HydrophobicContact CG-CD1 4.35Å
647	L	94.2	Very high	91.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-68.2	-38.3	-178.5	-69.4	170.7	0	0	0	112.1	L643 R644 Q645 Q649 G650 P701 E797 L798 A801 R874 H876	L643-L647 HydrophobicContact CD1-CD1 4.13Å; L643-L647 HydrophobicContact CD1-CG 4Å; L643-L647 HydrophobicContact CD2-CD1 4.47Å; L643-L647 HydrophobicContact CG-CD1 3.87Å; L643-L647 HydrophobicContact CG-CG 4.23Å; L643-L647 WeakPolarHBondContact O-CB 3.03Å; L643-L647 VanDerWaalsContact O-CG 3.3Å; L643-L647 WeakPolarHBondContact O-CG 3.49Å; L643-L647 PolarHBondContact O-N 2.05Å; R644-L647 PolarHBondContact O-N 2.96Å; Q645-L647 VanDerWaalsContact C-N 3.35Å; Q645-L647 PolarHBondContact O-N 2.75Å; L647-Q649 PolarHBondContact O-N 3.14Å; L647-G650 PolarHBondContact O-N 3.39Å; L647-P701 HydrophobicContact CD1-CB 4.33Å; L647-P701 HydrophobicContact CD1-CG 4.42Å; L647-E797 HydrophobicContact CD1-CB 3.98Å; L647-L798 HydrophobicContact CD2-CD2 4.4Å; L647-A801 HydrophobicContact CD2-CB 3.89Å; L647-R874 VanDerWaalsContact O-CZ 3.3Å; L647-R874 PolarHBondContact O-NH1 3.42Å; L647-R874 PolarHBondContact O-NH2 3.42Å; L647-H876 VanDerWaalsContact C-ND1 3.33Å; L647-H876 WeakPolarHBondContact CB-CE1 3.17Å; L647-H876 WeakPolarHBondContact CB-NE2 3.31Å; L647-H876 PolarHBondContact O-ND1 3.32Å
648	S	93.3	Very high	92.2	Very high	69 Å²	69	41 Å²	41	48%	0.483	24%	0.241	S	C	.	.	H	α-helix	trans	-76.2	-14	179.2	-68.3	0	0	0	0	115	R644 Q645 G650 H876	R644-S648 VanDerWaalsContact O-CB 3.3Å; R644-S648 WeakPolarHBondContact O-CB 3.27Å; R644-S648 PolarHBondContact O-N 3.09Å; R644-S648 PolarHBondContact O-OG 3.47Å; Q645-S648 PolarHBondContact O-N 3.14Å; S648-G650 PolarHBondContact O-N 3.45Å; S648-H876 VanDerWaalsContact CA-ND1 3.32Å; S648-H876 WeakPolarHBondContact CA-ND1 3.16Å; S648-H876 PolarHBondContact N-ND1 3.11Å; S648-H876 PolarHBondContact OG-CE1 3.3Å; S648-H876 PolarHBondContact OG-ND1 3.29Å
649	Q	90.2	Very high	92.6	Very high	122 Å²	122	40.8 Å²	40.8	57%	0.57	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.2	171.1	-76.8	164.1	17.3	0	0	113.1	Q645 L646 L647 G651	Q645-Q649 VanDerWaalsContact O-CG 3.3Å; Q645-Q649 WeakPolarHBondContact O-CG 3.26Å; Q645-Q649 PolarHBondContact O-N 2.91Å; Q645-Q649 VanDerWaalsContact O-N 3.09Å; L646-Q649 PolarHBondContact O-N 3.43Å; L647-Q649 PolarHBondContact O-N 3.14Å; Q649-G651 VanDerWaalsContact C-N 3.28Å; Q649-G651 PolarHBondContact O-N 3.42Å
650	G	84	Confident	92.9	Very high	5 Å²	5	41.6 Å²	41.6	5%	0.052	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	13.2	178.6	0	0	0	0	0	114.4	L647 S648 R874	L647-G650 PolarHBondContact O-N 3.39Å; S648-G650 PolarHBondContact O-N 3.45Å; G650-R874 PolarHBondContact O-N 3.4Å; G650-R874 VanDerWaalsContact O-N 3.1Å
651	G	85.9	Confident	93.4	Very high	39 Å²	39	40.5 Å²	40.5	40%	0.402	22%	0.219	S	C	.	.			trans	-76.7	140.1	171.5	0	0	0	0	0	111.9	Q649 R874	Q649-G651 VanDerWaalsContact C-N 3.28Å; Q649-G651 PolarHBondContact O-N 3.42Å; G651-R874 VanDerWaalsContact O-CZ 3.25Å; G651-R874 PolarHBondContact O-NE 2.86Å; G651-R874 PolarHBondContact O-NH2 2.93Å
652	W	90.2	Very high	93.6	Very high	90 Å²	90	39.6 Å²	39.6	34%	0.341	21%	0.21	S	C	.	.			trans	-77.7	143.6	173.7	-60.4	96.3	0	0	0	110.8	L803 R874	W652-L803 HydrophobicContact CB-CB 3.98Å; W652-L803 HydrophobicContact CB-CD1 4.11Å; W652-L803 HydrophobicContact CG-CD1 4.23Å; W652-R874 HydrophobicContact CD2-CB 4.37Å; W652-R874 HydrophobicContact CH2-CB 3.91Å; W652-R874 HydrophobicContact CZ2-CB 3.61Å; W652-R874 HydrophobicContact CZ3-CB 4.39Å
653	L	91.4	Very high	93.7	Very high	15 Å²	15	39.6 Å²	39.6	8%	0.079	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	136	178.4	-61.5	177.9	0	0	0	109.7	L646 I658 I661 L798 A801 V802 L803	L646-L653 HydrophobicContact CD2-CD1 4.35Å; L646-L653 HydrophobicContact CD2-CD2 4.42Å; L653-I658 HydrophobicContact CB-CD1 4.19Å; L653-I658 HydrophobicContact CB-CG1 3.95Å; L653-I658 HydrophobicContact CD1-CG1 4.3Å; L653-I661 HydrophobicContact CD1-CD1 4.22Å; L653-L798 HydrophobicContact CD1-CD2 4.29Å; L653-A801 HydrophobicContact CB-CB 4.47Å; L653-A801 HydrophobicContact CD1-CB 4.05Å; L653-A801 HydrophobicContact CG-CB 4.16Å; L653-A801 PolarHBondContact N-O 3.27Å; L653-V802 CarbonylContact O-C 3.45Å; L653-V802 WeakPolarHBondContact O-CA 3.41Å; L653-L803 PolarHBondContact O-N 3.42Å
654	S	91.6	Very high	93.7	Very high	40 Å²	40	40.4 Å²	40.4	28%	0.28	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	151.8	170.2	74.2	0	0	0	0	110.4	T656 E657 I658	S654-T656 PolarHBondContact O-N 3.09Å; S654-T656 PolarHBondContact OG-N 2.91Å; S654-E657 WeakPolarHBondContact CA-OE2 3.44Å; S654-E657 WeakPolarHBondContact CB-OE2 3.43Å; S654-E657 PolarHBondContact N-OE2 3.49Å; S654-E657 PolarHBondContact O-N 3Å; S654-E657 PolarHBondContact OG-N 2.83Å; S654-E657 PolarHBondContact OG-OE2 3.12Å; S654-I658 PolarHBondContact O-N 2.72Å
655	F	93.9	Very high	93.8	Very high	18 Å²	18	39.3 Å²	39.3	8%	0.079	21%	0.209	C	C	.	.	H	α-helix	trans	-60	-20.5	174.5	-169.5	-119.8	0	0	0	112.9	I658 L659 L799 V802 L916 I917 F920 M952	F655-I658 HydrophobicContact CD2-CG2 4.44Å; F655-L659 HydrophobicContact CD1-CD1 4.13Å; F655-L659 HydrophobicContact CE1-CD1 3.71Å; F655-L659 HydrophobicContact CE1-CG 4.16Å; F655-L659 HydrophobicContact CE2-CD2 4.42Å; F655-L659 HydrophobicContact CE2-CG 4.35Å; F655-L659 HydrophobicContact CZ-CD1 4.07Å; F655-L659 HydrophobicContact CZ-CD2 4.07Å; F655-L659 HydrophobicContact CZ-CG 4.07Å; F655-L659 WeakPolarHBondContact O-CG 3.48Å; F655-L659 PolarHBondContact O-N 2.85Å; F655-L659 VanDerWaalsContact O-N 3.12Å; F655-L799 HydrophobicContact CD2-CD1 4.31Å; F655-L799 HydrophobicContact CE2-CD1 4.09Å; F655-V802 HydrophobicContact CB-CG2 4.03Å; F655-V802 HydrophobicContact CD2-CG2 4.22Å; F655-L916 HydrophobicContact CE1-CB 3.85Å; F655-I917 HydrophobicContact CD1-CG1 4.28Å; F655-I917 HydrophobicContact CD2-CG1 4Å; F655-I917 HydrophobicContact CE1-CG1 4.29Å; F655-I917 HydrophobicContact CE2-CG1 4.01Å; F655-I917 HydrophobicContact CG-CG1 4.15Å; F655-I917 HydrophobicContact CZ-CG1 4.16Å; F655-F920 HydrophobicContact CE2-CB 4.06Å; F655-F920 HydrophobicContact CE2-CD1 4.02Å; F655-F920 HydrophobicContact CE2-CG 4.04Å; F655-F920 HydrophobicContact CZ-CB 3.86Å; F655-F920 HydrophobicContact CZ-CG 4.18Å; F655-M952 HydrophobicContact CB-CE 4.37Å; F655-M952 HydrophobicContact CD1-CE 3.94Å; F655-M952 HydrophobicContact CD1-SD 3.5Å; F655-M952 VanDerWaalsContact CD1-SD 3.5Å; F655-M952 HydrophobicContact CE1-SD 3.97Å; F655-M952 HydrophobicContact CG-SD 4.47Å
656	T	92.7	Very high	93.9	Very high	57 Å²	57	34.4 Å²	34.4	35%	0.35	19%	0.186	S	C	.	.	H	α-helix	trans	-70.5	-40	172.2	-54.4	0	0	0	0	111.9	S654 K660 M952	S654-T656 PolarHBondContact O-N 3.09Å; S654-T656 PolarHBondContact OG-N 2.91Å; T656-K660 PolarHBondContact O-N 2.92Å; T656-M952 VanDerWaalsContact OG1-CE 3.29Å; T656-M952 WeakPolarHBondContact OG1-CE 3.48Å
657	E	93.8	Very high	94	Very high	95 Å²	95	34.6 Å²	34.6	44%	0.444	19%	0.186	S	C	.	.	H	α-helix	trans	-70.7	-42.3	177.3	-71.2	155.5	120.7	0	0	111.3	S654 L659 K660 I661	S654-E657 WeakPolarHBondContact CA-OE2 3.44Å; S654-E657 WeakPolarHBondContact CB-OE2 3.43Å; S654-E657 PolarHBondContact N-OE2 3.49Å; S654-E657 PolarHBondContact O-N 3Å; S654-E657 PolarHBondContact OG-N 2.83Å; S654-E657 PolarHBondContact OG-OE2 3.12Å; E657-L659 VanDerWaalsContact C-N 3.32Å; E657-L659 PolarHBondContact O-N 3.04Å; E657-K660 WeakPolarHBondContact O-CA 3.49Å; E657-K660 WeakPolarHBondContact O-CB 3.43Å; E657-K660 PolarHBondContact O-N 3.45Å; E657-I661 WeakPolarHBondContact O-CG1 3.16Å; E657-I661 PolarHBondContact O-N 3.38Å
658	I	96	Very high	93.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-55.1	-47.8	172.7	-71.9	162.9	0	0	0	110.6	L653 S654 F655 K660 I661 S662 L798 V802 F920	L653-I658 HydrophobicContact CB-CD1 4.19Å; L653-I658 HydrophobicContact CB-CG1 3.95Å; L653-I658 HydrophobicContact CD1-CG1 4.3Å; S654-I658 PolarHBondContact O-N 2.72Å; F655-I658 HydrophobicContact CD2-CG2 4.44Å; I658-K660 VanDerWaalsContact C-N 3.32Å; I658-K660 PolarHBondContact O-N 3.4Å; I658-I661 PolarHBondContact O-N 3.21Å; I658-S662 VanDerWaalsContact O-CB 3.24Å; I658-S662 WeakPolarHBondContact O-CB 3.28Å; I658-S662 PolarHBondContact O-N 3.46Å; I658-S662 PolarHBondContact O-OG 2.83Å; I658-L798 WeakPolarHBondContact CD1-O 3.47Å; I658-L798 WeakPolarHBondContact CG1-O 3.1Å; I658-L798 HydrophobicContact CG2-CB 4.2Å; I658-V802 HydrophobicContact CD1-CB 3.54Å; I658-V802 HydrophobicContact CD1-CG2 3.74Å; I658-F920 HydrophobicContact CG2-CE1 3.89Å; I658-F920 HydrophobicContact CG2-CZ 3.99Å
659	L	96.8	Very high	94	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-69.4	-24.1	176	-69.3	178.7	0	0	0	113.7	F655 E657 D663 F920 I945 L948 K949 M952	F655-L659 HydrophobicContact CD1-CD1 4.13Å; F655-L659 HydrophobicContact CE1-CD1 3.71Å; F655-L659 HydrophobicContact CE1-CG 4.16Å; F655-L659 HydrophobicContact CE2-CD2 4.42Å; F655-L659 HydrophobicContact CE2-CG 4.35Å; F655-L659 HydrophobicContact CZ-CD1 4.07Å; F655-L659 HydrophobicContact CZ-CD2 4.07Å; F655-L659 HydrophobicContact CZ-CG 4.07Å; F655-L659 WeakPolarHBondContact O-CG 3.48Å; F655-L659 PolarHBondContact O-N 2.85Å; F655-L659 VanDerWaalsContact O-N 3.12Å; E657-L659 VanDerWaalsContact C-N 3.32Å; E657-L659 PolarHBondContact O-N 3.04Å; L659-D663 VanDerWaalsContact O-CB 3.25Å; L659-D663 WeakPolarHBondContact O-CB 3.48Å; L659-D663 PolarHBondContact O-N 3.06Å; L659-D663 VanDerWaalsContact O-N 3.16Å; L659-F920 HydrophobicContact CD2-CD2 3.74Å; L659-F920 HydrophobicContact CD2-CE2 3.82Å; L659-I945 HydrophobicContact CD2-CG2 4.2Å; L659-L948 HydrophobicContact CD1-CB 3.93Å; L659-L948 HydrophobicContact CD2-CB 4.23Å; L659-L948 HydrophobicContact CD2-CD1 4.26Å; L659-K949 HydrophobicContact CB-CD 4.25Å; L659-K949 HydrophobicContact CB-CG 3.78Å; L659-K949 HydrophobicContact CD1-CG 4Å; L659-K949 HydrophobicContact CG-CG 4.45Å; L659-M952 HydrophobicContact CD1-SD 3.55Å; L659-M952 VanDerWaalsContact CD1-SD 3.55Å
660	K	96	Very high	94.2	Very high	82 Å²	82	26.6 Å²	26.6	36%	0.357	15%	0.147	S	C	.	.	H	α-helix	trans	-69.5	-55.8	171.6	-171	-159	175.8	-161.8	0	109.9	T656 E657 I658 S662 D663 D664 G710	T656-K660 PolarHBondContact O-N 2.92Å; E657-K660 WeakPolarHBondContact O-CA 3.49Å; E657-K660 WeakPolarHBondContact O-CB 3.43Å; E657-K660 PolarHBondContact O-N 3.45Å; I658-K660 VanDerWaalsContact C-N 3.32Å; I658-K660 PolarHBondContact O-N 3.4Å; K660-S662 VanDerWaalsContact C-N 3.28Å; K660-S662 PolarHBondContact O-N 3.45Å; K660-D663 PolarHBondContact O-N 3.44Å; K660-D663 VanDerWaalsContact O-N 3.16Å; K660-D664 PolarHBondContact O-N 3.07Å; K660-G710 VanDerWaalsContact NZ-C 3.32Å; K660-G710 PolarHBondContact NZ-O 3.23Å
661	I	97.7	Very high	94.3	Very high	15 Å²	15	27.4 Å²	27.4	8%	0.077	15%	0.149	C	C	.	.	H	α-helix	trans	-57.2	-43.8	179.8	-66.1	165.6	0	0	0	110.4	L643 L646 L653 E657 I658 D664 I665 V712 L798	L643-I661 HydrophobicContact CD1-CG2 4.28Å; L643-I661 HydrophobicContact CD2-CG2 4.47Å; L646-I661 HydrophobicContact CD2-CD1 4Å; L653-I661 HydrophobicContact CD1-CD1 4.22Å; E657-I661 WeakPolarHBondContact O-CG1 3.16Å; E657-I661 PolarHBondContact O-N 3.38Å; I658-I661 PolarHBondContact O-N 3.21Å; I661-D664 PolarHBondContact O-N 3.49Å; I661-I665 HydrophobicContact CG2-CD1 3.59Å; I661-I665 HydrophobicContact CG2-CG1 4.36Å; I661-I665 WeakPolarHBondContact O-CD1 3.5Å; I661-I665 VanDerWaalsContact O-CG1 3.25Å; I661-I665 WeakPolarHBondContact O-CG1 3.48Å; I661-I665 PolarHBondContact O-N 3.01Å; I661-V712 HydrophobicContact CB-CG2 4.35Å; I661-V712 HydrophobicContact CG1-CG2 4.07Å; I661-V712 HydrophobicContact CG2-CG2 4.13Å; I661-L798 HydrophobicContact CB-CD2 4.31Å; I661-L798 HydrophobicContact CD1-CD2 4.2Å; I661-L798 HydrophobicContact CG2-CD1 3.89Å; I661-L798 HydrophobicContact CG2-CD2 3.8Å
662	S	98.3	Very high	94.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.5	-40.6	178.1	-53.5	0	0	0	0	113	I658 K660 D664 V666 L795 F920	I658-S662 VanDerWaalsContact O-CB 3.24Å; I658-S662 WeakPolarHBondContact O-CB 3.28Å; I658-S662 PolarHBondContact O-N 3.46Å; I658-S662 PolarHBondContact O-OG 2.83Å; K660-S662 VanDerWaalsContact C-N 3.28Å; K660-S662 PolarHBondContact O-N 3.45Å; S662-D664 VanDerWaalsContact C-N 3.33Å; S662-V666 VanDerWaalsContact O-CB 3.32Å; S662-V666 WeakPolarHBondContact O-CB 3.46Å; S662-V666 WeakPolarHBondContact O-CG2 3.24Å; S662-V666 PolarHBondContact O-N 3.13Å; S662-L795 WeakPolarHBondContact OG-CD2 3.12Å; S662-F920 WeakPolarHBondContact OG-CZ 3.45Å
663	D	97.8	Very high	94.3	Very high	15 Å²	15	22.6 Å²	22.6	8%	0.08	12%	0.12	C	C	.	.	H	α-helix	trans	-63.5	-40.8	176.7	-168.3	-141.1	0	0	0	110.5	L659 K660 Q667 L942 I945 R946 K949	L659-D663 VanDerWaalsContact O-CB 3.25Å; L659-D663 WeakPolarHBondContact O-CB 3.48Å; L659-D663 PolarHBondContact O-N 3.06Å; L659-D663 VanDerWaalsContact O-N 3.16Å; K660-D663 PolarHBondContact O-N 3.44Å; K660-D663 VanDerWaalsContact O-N 3.16Å; D663-Q667 VanDerWaalsContact C-NE2 3.31Å; D663-Q667 WeakPolarHBondContact O-CB 3.31Å; D663-Q667 WeakPolarHBondContact O-CG 3.49Å; D663-Q667 PolarHBondContact O-N 3.32Å; D663-Q667 PolarHBondContact O-NE2 3.41Å; D663-L942 WeakPolarHBondContact OD2-CD1 3.48Å; D663-I945 HydrophobicContact CB-CG2 3.78Å; D663-R946 VanDerWaalsContact OD2-CG 3.23Å; D663-R946 WeakPolarHBondContact OD2-CG 3.28Å; D663-R946 IonicContact OD2-NE 3.29Å; D663-R946 PolarHBondContact OD2-NE 3.42Å; D663-R946 VanDerWaalsContact OD2-NE 3.09Å; D663-K949 HydrophobicContact CB-CD 4.13Å; D663-K949 VanDerWaalsContact CB-NZ 3.3Å; D663-K949 IonicContact OD1-NZ 3.57Å; D663-K949 PolarHBondContact OD1-NZ 3.21Å
664	D	97.6	Very high	93.9	Very high	16 Å²	16	22.7 Å²	22.7	9%	0.086	12%	0.122	C	C	.	.	H	α-helix	trans	-64.7	-52.4	176.3	-79.1	-3.6	0	0	0	112.4	N611 K660 I661 S662 V666 Q667 G668 V712	N611-D664 WeakPolarHBondContact CB-O 3.29Å; N611-D664 VanDerWaalsContact CG-O 3.24Å; N611-D664 WeakPolarHBondContact ND2-CA 3.31Å; N611-D664 WeakPolarHBondContact ND2-CB 3.39Å; N611-D664 PolarHBondContact ND2-OD1 2.98Å; K660-D664 PolarHBondContact O-N 3.07Å; I661-D664 PolarHBondContact O-N 3.49Å; S662-D664 VanDerWaalsContact C-N 3.33Å; D664-V666 VanDerWaalsContact C-N 3.3Å; D664-V666 PolarHBondContact O-N 3.13Å; D664-Q667 PolarHBondContact O-N 3.16Å; D664-G668 PolarHBondContact O-N 3.08Å; D664-V712 HydrophobicContact CB-CB 3.76Å; D664-V712 HydrophobicContact CB-CG2 4.45Å; D664-V712 PolarHBondContact OD2-N 2.84Å
665	I	98.3	Very high	93.1	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.015	12%	0.116	C	C	.	.	H	α-helix	trans	-55.1	-46.6	177.5	-67.7	164.2	0	0	0	110.9	L643 I661 G668 L669 I704 V712 L714 L791 I794 L798	L643-I665 HydrophobicContact CD2-CD1 3.93Å; I661-I665 HydrophobicContact CG2-CD1 3.59Å; I661-I665 HydrophobicContact CG2-CG1 4.36Å; I661-I665 WeakPolarHBondContact O-CD1 3.5Å; I661-I665 VanDerWaalsContact O-CG1 3.25Å; I661-I665 WeakPolarHBondContact O-CG1 3.48Å; I661-I665 PolarHBondContact O-N 3.01Å; I665-G668 PolarHBondContact O-N 3.22Å; I665-L669 PolarHBondContact O-N 3.24Å; I665-I704 HydrophobicContact CD1-CD1 4.09Å; I665-I704 HydrophobicContact CD1-CG2 4.12Å; I665-I704 HydrophobicContact CG1-CD1 4.26Å; I665-I704 HydrophobicContact CG1-CG2 3.92Å; I665-I704 HydrophobicContact CG2-CD1 4.21Å; I665-V712 HydrophobicContact CD1-CG1 4.43Å; I665-V712 HydrophobicContact CG1-CG1 3.79Å; I665-L714 HydrophobicContact CG2-CD2 4.22Å; I665-L791 HydrophobicContact CG2-CD1 3.63Å; I665-I794 HydrophobicContact CD1-CG2 4.32Å; I665-L798 HydrophobicContact CD1-CD1 4.07Å
666	V	98.2	Very high	91.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-75.4	-27.5	-176	-179.4	0	0	0	0	112.1	S662 D664 G670 L791 A938 I941 L942 I945	S662-V666 VanDerWaalsContact O-CB 3.32Å; S662-V666 WeakPolarHBondContact O-CB 3.46Å; S662-V666 WeakPolarHBondContact O-CG2 3.24Å; S662-V666 PolarHBondContact O-N 3.13Å; D664-V666 VanDerWaalsContact C-N 3.3Å; D664-V666 PolarHBondContact O-N 3.13Å; V666-G670 WeakPolarHBondContact O-CA 3.37Å; V666-G670 PolarHBondContact O-N 2.78Å; V666-L791 HydrophobicContact CG2-CD1 4.05Å; V666-L791 HydrophobicContact CG2-CD2 3.84Å; V666-A938 HydrophobicContact CG1-CB 4.3Å; V666-A938 WeakPolarHBondContact CG1-O 3.48Å; V666-I941 HydrophobicContact CG1-CB 3.99Å; V666-I941 HydrophobicContact CG1-CG2 4.03Å; V666-I941 HydrophobicContact CG2-CG2 3.9Å; V666-L942 HydrophobicContact CB-CD1 4.46Å; V666-L942 HydrophobicContact CG1-CB 3.84Å; V666-L942 HydrophobicContact CG1-CD1 4.35Å; V666-I945 HydrophobicContact CB-CD1 4.3Å; V666-I945 HydrophobicContact CG2-CD1 3.84Å
667	Q	95.5	Very high	89.8	Confident	44 Å²	44	23.7 Å²	23.7	21%	0.206	12%	0.124	C	C	.	.	H	α-helix	trans	-64.8	-45.9	167.5	-78.2	168.7	118	0	0	111.4	N611 D663 D664 G670 F671 L942 R946	N611-Q667 HydrophobicContact CB-CB 4.46Å; N611-Q667 VanDerWaalsContact OD1-CB 3.25Å; N611-Q667 WeakPolarHBondContact OD1-CB 3.4Å; D663-Q667 VanDerWaalsContact C-NE2 3.31Å; D663-Q667 WeakPolarHBondContact O-CB 3.31Å; D663-Q667 WeakPolarHBondContact O-CG 3.49Å; D663-Q667 PolarHBondContact O-N 3.32Å; D663-Q667 PolarHBondContact O-NE2 3.41Å; D664-Q667 PolarHBondContact O-N 3.16Å; Q667-G670 PolarHBondContact O-N 2.68Å; Q667-F671 WeakPolarHBondContact O-CB 3.19Å; Q667-F671 PolarHBondContact O-N 3.42Å; Q667-L942 HydrophobicContact CG-CD1 3.73Å; Q667-L942 HydrophobicContact CG-CD2 3.95Å; Q667-R946 VanDerWaalsContact CD-NH2 3.29Å
668	G	93.3	Very high	87.5	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.2	-49.7	174.6	0	0	0	0	0	111.8	D664 I665 F671 L672	D664-G668 PolarHBondContact O-N 3.08Å; I665-G668 PolarHBondContact O-N 3.22Å; G668-F671 WeakPolarHBondContact O-CB 3.08Å; G668-F671 PolarHBondContact O-N 3.06Å; G668-L672 WeakPolarHBondContact O-CG 3.42Å; G668-L672 PolarHBondContact O-N 2.71Å
669	L	95.6	Very high	85	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-67.4	-40.1	-179.8	-169.3	60.1	0	0	0	112.3	I665 F671 L672 H673 L699 L714 D787 I788 L791 A938	I665-L669 PolarHBondContact O-N 3.24Å; L669-F671 VanDerWaalsContact C-N 3.28Å; L669-F671 PolarHBondContact O-N 3.31Å; L669-L672 HydrophobicContact CD1-CD1 4.35Å; L669-L672 PolarHBondContact O-N 3.23Å; L669-H673 VanDerWaalsContact CD1-NE2 3.31Å; L669-H673 WeakPolarHBondContact CD1-NE2 3.45Å; L669-H673 WeakPolarHBondContact O-CB 3.44Å; L669-H673 PolarHBondContact O-N 3.32Å; L669-L699 HydrophobicContact CD1-CD1 3.72Å; L669-L699 HydrophobicContact CD2-CD1 3.86Å; L669-L699 HydrophobicContact CG-CD1 4.42Å; L669-L714 HydrophobicContact CB-CD1 4.14Å; L669-L714 HydrophobicContact CD1-CD1 4.42Å; L669-D787 HydrophobicContact CD1-CB 4.27Å; L669-D787 HydrophobicContact CD2-CB 4.41Å; L669-I788 HydrophobicContact CD2-CD1 4.09Å; L669-L791 HydrophobicContact CD2-CB 4.29Å; L669-L791 HydrophobicContact CD2-CD2 3.86Å; L669-A938 HydrophobicContact CG-CB 4.48Å
670	G	93	Very high	82.3	Confident	22 Å²	22	40.4 Å²	40.4	23%	0.227	20%	0.198	C	C	.	.	H	α-helix	trans	-62.9	-34.8	175.3	0	0	0	0	0	112.8	V666 Q667 S674	V666-G670 WeakPolarHBondContact O-CA 3.37Å; V666-G670 PolarHBondContact O-N 2.78Å; Q667-G670 PolarHBondContact O-N 2.68Å; G670-S674 VanDerWaalsContact O-CB 3.31Å; G670-S674 WeakPolarHBondContact O-CB 3.42Å; G670-S674 PolarHBondContact O-N 3.42Å; G670-S674 VanDerWaalsContact O-N 3.08Å
671	F	87.5	Confident	79.5	Confident	22 Å²	22	42.5 Å²	42.5	10%	0.096	21%	0.209	C	C	.	.	H	α-helix	trans	-65.3	-49.9	170.2	170.7	-99.6	0	0	0	111.5	I607 H609 I612 Q667 G668 L669 H673 S674 L676 K691	I607-F671 HydrophobicContact CB-CZ 3.92Å; I607-F671 HydrophobicContact CG2-CE2 3.61Å; I607-F671 HydrophobicContact CG2-CZ 3.43Å; I607-F671 VanDerWaalsContact CG2-CZ 3.43Å; H609-F671 HydrophobicContact CB-CD1 3.98Å; H609-F671 HydrophobicContact CB-CD2 4.48Å; H609-F671 HydrophobicContact CB-CE1 4.03Å; H609-F671 HydrophobicContact CB-CG 4.21Å; H609-F671 HydrophobicContact CB-CZ 4.31Å; H609-F671 AromaticContact CD2-CD2 3.8Å; H609-F671 AromaticContact CD2-CG 3.72Å; H609-F671 AromaticContact CG-CD1 3.94Å; H609-F671 AromaticContact CG-CG 3.78Å; I612-F671 HydrophobicContact CD1-CD1 4.28Å; I612-F671 HydrophobicContact CG1-CD1 3.78Å; I612-F671 HydrophobicContact CG1-CE1 4.19Å; Q667-F671 WeakPolarHBondContact O-CB 3.19Å; Q667-F671 PolarHBondContact O-N 3.42Å; G668-F671 WeakPolarHBondContact O-CB 3.08Å; G668-F671 PolarHBondContact O-N 3.06Å; L669-F671 VanDerWaalsContact C-N 3.28Å; L669-F671 PolarHBondContact O-N 3.31Å; F671-H673 PolarHBondContact O-N 3.06Å; F671-S674 PolarHBondContact O-N 2.96Å; F671-S674 VanDerWaalsContact O-N 3.14Å; F671-S674 PolarHBondContact O-OG 3.17Å; F671-L676 HydrophobicContact CE2-CD1 4.36Å; F671-K691 HydrophobicContact CE1-CD 4.41Å; F671-K691 HydrophobicContact CE2-CD 4.02Å; F671-K691 HydrophobicContact CZ-CD 3.86Å; F671-K691 WeakPolarHBondContact O-CE 3.24Å; F671-K691 PolarHBondContact O-NZ 3.35Å
672	L	86.8	Confident	76.5	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-57.8	-46.3	176.5	-68.3	173	0	0	0	112.5	I612 G668 L669 S674 K691 V694 L714 F717	I612-L672 HydrophobicContact CD1-CD1 3.98Å; I612-L672 HydrophobicContact CD1-CD2 3.97Å; I612-L672 HydrophobicContact CD1-CG 3.75Å; G668-L672 WeakPolarHBondContact O-CG 3.42Å; G668-L672 PolarHBondContact O-N 2.71Å; L669-L672 HydrophobicContact CD1-CD1 4.35Å; L669-L672 PolarHBondContact O-N 3.23Å; L672-S674 PolarHBondContact O-N 3.2Å; L672-K691 PolarHBondContact O-NZ 3.41Å; L672-V694 HydrophobicContact CB-CB 4.45Å; L672-V694 HydrophobicContact CD2-CB 4.37Å; L672-V694 HydrophobicContact CD2-CG1 4.48Å; L672-V694 PolarHBondContact O-N 3.49Å; L672-L714 HydrophobicContact CD1-CD1 3.54Å; L672-F717 HydrophobicContact CD1-CE1 3.75Å; L672-F717 HydrophobicContact CD1-CZ 4.44Å; L672-F717 HydrophobicContact CD2-CE1 3.77Å; L672-F717 HydrophobicContact CD2-CZ 4.33Å; L672-F717 HydrophobicContact CG-CE1 4.41Å
673	H	89.5	Confident	73.4	Confident	25 Å²	25	50.5 Å²	50.5	12%	0.116	26%	0.259	C	S	.	.	H	α-helix	trans	-72.7	-14	179.8	-70.4	-166.4	0	0	0	113.4	L669 F671 V694 L784 D787	L669-H673 VanDerWaalsContact CD1-NE2 3.31Å; L669-H673 WeakPolarHBondContact CD1-NE2 3.45Å; L669-H673 WeakPolarHBondContact O-CB 3.44Å; L669-H673 PolarHBondContact O-N 3.32Å; F671-H673 PolarHBondContact O-N 3.06Å; H673-V694 PolarHBondContact CD2-O 3.07Å; H673-L784 HydrophobicContact CB-CD2 4.36Å; H673-L784 VanDerWaalsContact CD2-CD2 3.44Å; H673-L784 WeakPolarHBondContact CD2-CD2 2.81Å; H673-L784 PolarHBondContact CE1-O 2.82Å; H673-D787 IonicContact CD2-OD2 2.99Å; H673-D787 IonicContact CE1-OD2 2.7Å; H673-D787 IonicContact NE2-OD2 3.56Å; H673-D787 PolarHBondContact NE2-OD2 2.91Å
674	S	82.5	Confident	70.4	Confident	17 Å²	17	50.3 Å²	50.3	12%	0.119	26%	0.261	C	S	.	.			trans	-72.7	130.4	-178.8	70.4	0	0	0	0	112.8	G670 F671 L672 K691	G670-S674 VanDerWaalsContact O-CB 3.31Å; G670-S674 WeakPolarHBondContact O-CB 3.42Å; G670-S674 PolarHBondContact O-N 3.42Å; G670-S674 VanDerWaalsContact O-N 3.08Å; F671-S674 PolarHBondContact O-N 2.96Å; F671-S674 VanDerWaalsContact O-N 3.14Å; F671-S674 PolarHBondContact O-OG 3.17Å; L672-S674 PolarHBondContact O-N 3.2Å; S674-K691 PolarHBondContact O-NZ 3.03Å
675	D	74.3	Confident	67.4	Low	31 Å²	31	56.8 Å²	56.8	17%	0.166	29%	0.29	C	S	.	.			trans	-80.7	116.1	159.7	-178.8	-8.6	0	0	0	108.6	V677 N678 R679 P693 Y749	D675-V677 WeakPolarHBondContact OD1-CA 3.4Å; D675-V677 WeakPolarHBondContact OD1-CB 3.29Å; D675-V677 PolarHBondContact OD1-N 2.8Å; D675-N678 PolarHBondContact OD1-N 2.86Å; D675-N678 WeakPolarHBondContact OD2-CB 3.36Å; D675-N678 PolarHBondContact OD2-ND2 3.19Å; D675-R679 PolarHBondContact O-NE 3.35Å; D675-P693 HydrophobicContact CB-CG 3.84Å; D675-Y749 PolarHBondContact OD2-OH 2.71Å
676	L	64.5	Low	64.1	Low	55 Å²	55	66.7 Å²	66.7	29%	0.288	33%	0.328	S	S	.	.			trans	-111	1.7	171.6	-48.4	177.7	0	0	0	112.2	F671 K691	F671-L676 HydrophobicContact CE2-CD1 4.36Å; L676-K691 HydrophobicContact CB-CB 4.01Å; L676-K691 HydrophobicContact CD1-CB 4.09Å; L676-K691 HydrophobicContact CD1-CD 3.96Å; L676-K691 HydrophobicContact CG-CB 4.22Å; L676-K691 HydrophobicContact CG-CD 4.36Å; L676-K691 PolarHBondContact N-O 2.78Å
677	V	53.4	Low	61	Low	51 Å²	51	73.6 Å²	73.6	31%	0.309	36%	0.363	S	S	.	.	S	Bend	trans	-72.1	-49.6	169.9	-179.8	0	0	0	0	109.2	D675 G690 Y692	D675-V677 WeakPolarHBondContact OD1-CA 3.4Å; D675-V677 WeakPolarHBondContact OD1-CB 3.29Å; D675-V677 PolarHBondContact OD1-N 2.8Å; V677-G690 WeakPolarHBondContact CG2-O 3.4Å; V677-Y692 HydrophobicContact CB-CD1 4.4Å; V677-Y692 HydrophobicContact CB-CE1 4.23Å; V677-Y692 HydrophobicContact CG1-CE1 4.21Å; V677-Y692 HydrophobicContact CG2-CD1 3.69Å; V677-Y692 HydrophobicContact CG2-CD2 4.21Å; V677-Y692 HydrophobicContact CG2-CE1 3.71Å; V677-Y692 HydrophobicContact CG2-CE2 4.21Å; V677-Y692 HydrophobicContact CG2-CG 3.92Å
678	N	44.8	Very low	58.2	Low	86 Å²	86	76.6 Å²	76.6	46%	0.46	38%	0.384	S	S	.	.	S	Bend	trans	-86.2	-5	-174	-72.2	-47.3	0	0	0	114	D675 Q680 E725	D675-N678 PolarHBondContact OD1-N 2.86Å; D675-N678 WeakPolarHBondContact OD2-CB 3.36Å; D675-N678 PolarHBondContact OD2-ND2 3.19Å; N678-Q680 PolarHBondContact O-N 3.01Å; N678-E725 PolarHBondContact ND2-OE1 2.82Å
679	R	44.7	Very low	55.9	Low	173 Å²	173	83.9 Å²	83.9	65%	0.653	41%	0.413	S	S	*	.			trans	-76.2	76	168.8	-70.4	-170.9	-170	-162.4	0.2	110.6	D675 Q681	D675-R679 PolarHBondContact O-NE 3.35Å; R679-Q681 VanDerWaalsContact C-N 3.35Å; R679-Q681 PolarHBondContact O-N 3.43Å
680	Q	38.5	Very low	53.7	Low	187 Å²	187	85 Å²	85	87%	0.874	42%	0.424	S	S	*	.			trans	-55.8	100.7	160.3	-69	-170.9	1.9	0	0	108.7	N678 S682	N678-Q680 PolarHBondContact O-N 3.01Å; Q680-S682 PolarHBondContact O-N 2.83Å; Q680-S682 VanDerWaalsContact O-N 3.17Å
681	Q	37.3	Very low	52.5	Low	127 Å²	127	84 Å²	84	59%	0.593	41%	0.413	S	S	*	.			trans	-62.6	120.2	165.5	-69.3	-170.5	5.5	0	0	107.3	R679 N683 G684	R679-Q681 VanDerWaalsContact C-N 3.35Å; R679-Q681 PolarHBondContact O-N 3.43Å; Q681-N683 PolarHBondContact O-N 3.14Å; Q681-G684 PolarHBondContact O-N 2.86Å
682	S	36.3	Very low	51.7	Low	95 Å²	95	85.5 Å²	85.5	66%	0.664	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	3.5	173.7	47.3	0	0	0	0	114.8	Q680	Q680-S682 PolarHBondContact O-N 2.83Å; Q680-S682 VanDerWaalsContact O-N 3.17Å
683	N	33.1	Very low	51.4	Low	87 Å²	87	85.4 Å²	85.4	47%	0.465	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-1.1	-165.9	-51.8	8.2	0	0	0	111.4	I272 T273 Q681 H685	I272-N683 CarbonylContact O-C 3.58Å; T273-N683 WeakPolarHBondContact CA-O 3.16Å; T273-N683 VanDerWaalsContact CG2-O 3.26Å; T273-N683 WeakPolarHBondContact CG2-O 3.49Å; Q681-N683 PolarHBondContact O-N 3.14Å; N683-H685 PolarHBondContact O-N 3.21Å
684	G	34.9	Very low	50.9	Low	12 Å²	12	84.3 Å²	84.3	12%	0.124	41%	0.413	C	S	.	.			trans	56.4	23.1	166.9	0	0	0	0	0	117.6	V271 I272 T273 Q681 R686	V271-G684 WeakPolarHBondContact CG1-O 3.49Å; I272-G684 WeakPolarHBondContact O-CA 3.21Å; I272-G684 PolarHBondContact O-N 2.89Å; T273-G684 PolarHBondContact OG1-O 2.72Å; Q681-G684 PolarHBondContact O-N 2.86Å; G684-R686 PolarHBondContact O-N 3.12Å
685	H	33	Very low	51	Low	151 Å²	151	83.5 Å²	83.5	70%	0.699	41%	0.408	S	S	*	.			trans	-65.8	129.4	159.7	-95.3	58.8	0	0	0	108.4	N683 I687	N683-H685 PolarHBondContact O-N 3.21Å; H685-I687 PolarHBondContact O-N 2.8Å; H685-I687 VanDerWaalsContact O-N 3.16Å
686	R	30	Very low	51.6	Low	212 Å²	212	82 Å²	82	80%	0.8	40%	0.4	S	S	*	.			trans	-67.1	113.3	-176.4	-84.5	170.4	52.4	155	-5	110.1	G684 V688	G684-R686 PolarHBondContact O-N 3.12Å; R686-V688 PolarHBondContact O-N 2.88Å
687	I	33.1	Very low	52.7	Low	144 Å²	144	80.8 Å²	80.8	74%	0.738	39%	0.391	S	S	*	.			trans	39.1	82.9	144.9	-45	177.1	0	0	0	113.8	H685	H685-I687 PolarHBondContact O-N 2.8Å; H685-I687 VanDerWaalsContact O-N 3.16Å
688	V	35.3	Very low	54.4	Low	108 Å²	108	79.2 Å²	79.2	66%	0.655	38%	0.381	S	S	*	.	S	Bend	trans	-58.5	135	138.4	177.5	0	0	0	0	105.9	R686 G690	R686-V688 PolarHBondContact O-N 2.88Å; V688-G690 PolarHBondContact O-N 3.25Å
689	Y	46.2	Very low	56.9	Low	153 Å²	153	75.2 Å²	75.2	60%	0.6	36%	0.36	S	S	*	.			trans	-40.8	112	179.6	-64.6	-93.9	0	0	0	110.3	H606 K691	H606-Y689 HydrophobicContact CB-CD2 4.44Å; Y689-K691 PolarHBondContact O-N 3.06Å
690	G	49.7	Very low	59.3	Low	23 Å²	23	68.5 Å²	68.5	24%	0.237	34%	0.335	C	S	.	.			trans	-57.8	115.4	-177.2	0	0	0	0	0	107.7	Y599 V677 V688	Y599-G690 PolarHBondContact OH-O 3.27Å; V677-G690 WeakPolarHBondContact CG2-O 3.4Å; V688-G690 PolarHBondContact O-N 3.25Å
691	K	67	Low	62.1	Low	1 Å²	1	59.6 Å²	59.6	0%	0.004	29%	0.294	C	S	.	.			trans	-98.7	111.2	-173.5	-179	-148.1	155.3	-68.8	0	109.2	I603 I607 F671 L672 S674 L676 Y689	I603-K691 HydrophobicContact CD1-CB 4.28Å; I603-K691 HydrophobicContact CD1-CG 3.66Å; I603-K691 HydrophobicContact CG1-CG 4.15Å; I603-K691 HydrophobicContact CG2-CD 4.32Å; I603-K691 HydrophobicContact CG2-CG 3.89Å; I607-K691 HydrophobicContact CD1-CB 3.96Å; I607-K691 HydrophobicContact CD1-CD 4.38Å; I607-K691 HydrophobicContact CD1-CG 4.2Å; F671-K691 HydrophobicContact CE1-CD 4.41Å; F671-K691 HydrophobicContact CE2-CD 4.02Å; F671-K691 HydrophobicContact CZ-CD 3.86Å; F671-K691 WeakPolarHBondContact O-CE 3.24Å; F671-K691 PolarHBondContact O-NZ 3.35Å; L672-K691 PolarHBondContact O-NZ 3.41Å; S674-K691 PolarHBondContact O-NZ 3.03Å; L676-K691 HydrophobicContact CB-CB 4.01Å; L676-K691 HydrophobicContact CD1-CB 4.09Å; L676-K691 HydrophobicContact CD1-CD 3.96Å; L676-K691 HydrophobicContact CG-CB 4.22Å; L676-K691 HydrophobicContact CG-CD 4.36Å; L676-K691 PolarHBondContact N-O 2.78Å; Y689-K691 PolarHBondContact O-N 3.06Å
692	Y	71.2	Confident	64.9	Low	54 Å²	54	56.9 Å²	56.9	21%	0.212	28%	0.281	C	S	.	.			trans	-65.8	158.8	171.3	-69.5	-68.8	0	0	0	111.8	Y599 V677 C722 L723 A724 E725	Y599-Y692 AromaticContact CE1-CD2 3.63Å; Y599-Y692 HydrophobicContact CE1-CD2 3.63Å; Y599-Y692 HydrophobicContact CE1-CG 4.39Å; Y599-Y692 AromaticContact CZ-CD2 3.58Å; Y599-Y692 WeakPolarHBondContact OH-CD2 3.28Å; Y599-Y692 PolarHBondContact OH-N 3.48Å; V677-Y692 HydrophobicContact CB-CD1 4.4Å; V677-Y692 HydrophobicContact CB-CE1 4.23Å; V677-Y692 HydrophobicContact CG1-CE1 4.21Å; V677-Y692 HydrophobicContact CG2-CD1 3.69Å; V677-Y692 HydrophobicContact CG2-CD2 4.21Å; V677-Y692 HydrophobicContact CG2-CE1 3.71Å; V677-Y692 HydrophobicContact CG2-CE2 4.21Å; V677-Y692 HydrophobicContact CG2-CG 3.92Å; Y692-C722 VanDerWaalsContact CB-SG 3.59Å; Y692-L723 WeakPolarHBondContact CB-O 3.3Å; Y692-A724 HydrophobicContact CD1-CB 4.42Å; Y692-A724 HydrophobicContact CD2-CB 3.71Å; Y692-A724 HydrophobicContact CE1-CB 4.46Å; Y692-A724 HydrophobicContact CE2-CB 3.79Å; Y692-A724 HydrophobicContact CG-CB 4.08Å; Y692-E725 HydrophobicContact CE1-CB 4.2Å; Y692-E725 HydrophobicContact CE1-CG 4.31Å
693	P	80.4	Confident	67.7	Low	2 Å²	2	52.9 Å²	52.9	1%	0.013	25%	0.252	C	S	.	.			trans	-58	145.3	170.4	-24	35.2	0	0	0	112.2	D675 L723 L784	D675-P693 HydrophobicContact CB-CG 3.84Å; P693-L723 HydrophobicContact CB-CB 4.26Å; P693-L723 HydrophobicContact CB-CD1 4.13Å; P693-L723 WeakPolarHBondContact O-CB 3.31Å; P693-L723 PolarHBondContact O-N 3.49Å; P693-L784 HydrophobicContact CB-CD1 4.05Å; P693-L784 HydrophobicContact CB-CD2 4.38Å
694	V	79.6	Confident	70.7	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	121.5	178.8	-179.2	0	0	0	0	108.2	V600 L672 H673 V721	V600-V694 HydrophobicContact CG2-CB 4.46Å; V600-V694 HydrophobicContact CG2-CG1 3.72Å; V600-V694 HydrophobicContact CG2-CG2 3.81Å; L672-V694 HydrophobicContact CB-CB 4.45Å; L672-V694 HydrophobicContact CD2-CB 4.37Å; L672-V694 HydrophobicContact CD2-CG1 4.48Å; L672-V694 PolarHBondContact O-N 3.49Å; H673-V694 PolarHBondContact CD2-O 3.07Å; V694-V721 WeakPolarHBondContact CA-O 3.42Å
695	A	84.6	Confident	73.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	129.6	168.7	0	0	0	0	0	109.1	R697 S720 V721 L783 L784 D787	A695-R697 HydrophobicContact CB-CG 4.08Å; A695-S720 CarbonylContact O-C 3.37Å; A695-S720 WeakPolarHBondContact O-CA 3.49Å; A695-S720 VanDerWaalsContact O-CB 3.29Å; A695-S720 WeakPolarHBondContact O-CB 3.33Å; A695-V721 PolarHBondContact N-O 3.31Å; A695-V721 PolarHBondContact O-N 3.4Å; A695-L783 HydrophobicContact CB-CB 3.7Å; A695-L784 HydrophobicContact CB-CD2 4.01Å; A695-D787 WeakPolarHBondContact CA-OD2 3.48Å
696	H	86.3	Confident	76.6	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.205	C	C	.	.			trans	-76.5	-41.5	-175.6	-170.6	-76.5	0	0	0	112.2	D698 L699 S715 F717 S720 D787	H696-D698 PolarHBondContact CE1-O 3.16Å; H696-D698 PolarHBondContact ND1-O 3.34Å; H696-D698 PolarHBondContact O-N 3.38Å; H696-L699 HydrophobicContact CB-CD1 4.31Å; H696-L699 HydrophobicContact CB-CD2 4.07Å; H696-L699 HydrophobicContact CB-CG 3.81Å; H696-L699 PolarHBondContact ND1-N 3.46Å; H696-S715 PolarHBondContact CE1-O 3.21Å; H696-S715 PolarHBondContact NE2-O 3.29Å; H696-F717 AromaticContact CD2-CD1 3.93Å; H696-F717 AromaticContact CD2-CE1 3.69Å; H696-S720 WeakPolarHBondContact CA-OG 3.17Å; H696-S720 WeakPolarHBondContact O-CA 3.42Å; H696-S720 PolarHBondContact O-OG 3.02Å; H696-D787 PolarHBondContact N-OD1 2.77Å; H696-D787 PolarHBondContact N-OD2 2.74Å
697	R	87.7	Confident	79.3	Confident	30 Å²	30	35.4 Å²	35.4	11%	0.113	17%	0.174	C	C	.	.	S	Bend	trans	66.6	-14	174.5	-60	174.7	67	-123.2	8.6	117.5	A695 Q719 G762 D787	A695-R697 HydrophobicContact CB-CG 4.08Å; R697-Q719 HydrophobicContact CB-CB 4.47Å; R697-Q719 WeakPolarHBondContact CD-O 3.48Å; R697-Q719 PolarHBondContact NH1-O 3.37Å; R697-G762 VanDerWaalsContact O-CA 3.28Å; R697-G762 WeakPolarHBondContact O-CA 3.5Å; R697-D787 PolarHBondContact N-OD1 3.45Å
698	D	89.9	Confident	81.9	Confident	17 Å²	17	36.9 Å²	36.9	9%	0.091	18%	0.175	C	C	.	.			trans	-131.7	53.4	169	-168.6	38.3	0	0	0	112.1	H696 K700 N703 Q719 G762 T763	H696-D698 PolarHBondContact CE1-O 3.16Å; H696-D698 PolarHBondContact ND1-O 3.34Å; H696-D698 PolarHBondContact O-N 3.38Å; D698-K700 PolarHBondContact O-N 2.74Å; D698-K700 IonicContact OD1-NZ 2.68Å; D698-K700 PolarHBondContact OD1-NZ 3.18Å; D698-K700 WeakPolarHBondContact OD2-CE 3.3Å; D698-K700 IonicContact OD2-NZ 3.47Å; D698-K700 PolarHBondContact OD2-NZ 2.78Å; D698-N703 PolarHBondContact O-ND2 3.14Å; D698-N703 PolarHBondContact OD2-ND2 2.75Å; D698-Q719 HydrophobicContact CB-CB 4.29Å; D698-Q719 HydrophobicContact CB-CG 4.35Å; D698-G762 WeakPolarHBondContact OD1-CA 3.36Å; D698-T763 WeakPolarHBondContact OD1-CB 3.5Å; D698-T763 PolarHBondContact OD1-N 2.91Å; D698-T763 PolarHBondContact OD1-OG1 2.82Å
699	L	95.3	Very high	84.1	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.016	17%	0.166	C	C	.	.			trans	-74.4	123.3	173.7	-76.8	174	0	0	0	111	L669 H696 L714 D787 I794	L669-L699 HydrophobicContact CD1-CD1 3.72Å; L669-L699 HydrophobicContact CD2-CD1 3.86Å; L669-L699 HydrophobicContact CG-CD1 4.42Å; H696-L699 HydrophobicContact CB-CD1 4.31Å; H696-L699 HydrophobicContact CB-CD2 4.07Å; H696-L699 HydrophobicContact CB-CG 3.81Å; H696-L699 PolarHBondContact ND1-N 3.46Å; L699-L714 HydrophobicContact CD2-CD1 4.38Å; L699-L714 HydrophobicContact CD2-CD2 4.17Å; L699-D787 HydrophobicContact CD1-CB 3.67Å; L699-I794 HydrophobicContact CB-CD1 4.14Å
700	K	96.2	Very high	86.2	Confident	32 Å²	32	29.7 Å²	29.7	14%	0.139	15%	0.149	C	C	.	.	S	Bend	trans	-162.1	160.6	178.4	63.1	-166.2	-174	-153.4	0	109.9	D698 E702 N703 T763 Y766	D698-K700 PolarHBondContact O-N 2.74Å; D698-K700 IonicContact OD1-NZ 2.68Å; D698-K700 PolarHBondContact OD1-NZ 3.18Å; D698-K700 WeakPolarHBondContact OD2-CE 3.3Å; D698-K700 IonicContact OD2-NZ 3.47Å; D698-K700 PolarHBondContact OD2-NZ 2.78Å; K700-E702 WeakPolarHBondContact CB-OE2 3.43Å; K700-E702 HydrophobicContact CD-CB 4.35Å; K700-E702 HydrophobicContact CG-CB 4.07Å; K700-E702 VanDerWaalsContact CG-OE2 3.29Å; K700-E702 WeakPolarHBondContact CG-OE2 3.26Å; K700-E702 PolarHBondContact O-N 2.86Å; K700-E702 VanDerWaalsContact O-N 3.08Å; K700-N703 WeakPolarHBondContact CE-ND2 3.13Å; K700-N703 VanDerWaalsContact CE-OD1 3.3Å; K700-N703 WeakPolarHBondContact CE-OD1 3.44Å; K700-N703 HydrophobicContact CG-CB 4.12Å; K700-N703 PolarHBondContact O-N 3.08Å; K700-T763 HydrophobicContact CD-CG2 4.33Å; K700-T763 WeakPolarHBondContact CD-OG1 3.26Å; K700-T763 PolarHBondContact NZ-OG1 2.91Å; K700-Y766 HydrophobicContact CB-CD1 4.48Å; K700-Y766 HydrophobicContact CB-CD2 3.87Å; K700-Y766 HydrophobicContact CB-CE2 3.96Å; K700-Y766 HydrophobicContact CB-CG 4.17Å
701	P	97.2	Very high	88.1	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-57.9	-21.4	-179.9	-26.3	36.1	0	0	0	115.5	L643 R644 L647 I794 E797	L643-P701 CarbonylContact C-O 3.52Å; L643-P701 HydrophobicContact CB-CB 4.17Å; L643-P701 WeakPolarHBondContact CB-O 3.48Å; L643-P701 HydrophobicContact CD2-CB 4.39Å; L643-P701 HydrophobicContact CG-CB 4.15Å; L643-P701 PolarHBondContact N-O 2.97Å; L643-P701 VanDerWaalsContact N-O 3.12Å; R644-P701 HydrophobicContact CB-CB 3.99Å; R644-P701 PolarHBondContact N-O 3.13Å; L647-P701 HydrophobicContact CD1-CB 4.33Å; L647-P701 HydrophobicContact CD1-CG 4.42Å; P701-I794 HydrophobicContact CG-CG1 4.19Å; P701-E797 WeakPolarHBondContact CG-OE1 3.11Å
702	E	95.4	Very high	89.5	Confident	70 Å²	70	30 Å²	30	33%	0.327	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-70.2	-34.3	173.8	-63.5	77.4	-178.5	0	0	112.8	S642 R644 K700 I704	S642-E702 WeakPolarHBondContact CB-O 3.28Å; R644-E702 HydrophobicContact CB-CG 3.9Å; R644-E702 HydrophobicContact CG-CG 4.12Å; R644-E702 IonicContact CZ-OE1 3.28Å; R644-E702 VanDerWaalsContact CZ-OE1 3.29Å; R644-E702 IonicContact CZ-OE2 3.75Å; R644-E702 IonicContact NE-OE1 2.66Å; R644-E702 PolarHBondContact NE-OE1 3.47Å; R644-E702 IonicContact NE-OE2 3.62Å; R644-E702 IonicContact NH2-OE1 3.57Å; R644-E702 PolarHBondContact NH2-OE1 3.25Å; R644-E702 IonicContact NH2-OE2 2.7Å; R644-E702 PolarHBondContact NH2-OE2 2.82Å; R644-E702 VanDerWaalsContact NH2-OE2 3.15Å; K700-E702 WeakPolarHBondContact CB-OE2 3.43Å; K700-E702 HydrophobicContact CD-CB 4.35Å; K700-E702 HydrophobicContact CG-CB 4.07Å; K700-E702 VanDerWaalsContact CG-OE2 3.29Å; K700-E702 WeakPolarHBondContact CG-OE2 3.26Å; K700-E702 PolarHBondContact O-N 2.86Å; K700-E702 VanDerWaalsContact O-N 3.08Å; E702-I704 VanDerWaalsContact C-N 3.28Å; E702-I704 PolarHBondContact O-N 3.4Å
703	N	94.9	Very high	90.5	Very high	10 Å²	10	27.4 Å²	27.4	5%	0.053	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-93.8	16.8	-177.5	-67.5	1.7	0	0	0	112.1	D698 K700 S715 D716	D698-N703 PolarHBondContact O-ND2 3.14Å; D698-N703 PolarHBondContact OD2-ND2 2.75Å; K700-N703 WeakPolarHBondContact CE-ND2 3.13Å; K700-N703 VanDerWaalsContact CE-OD1 3.3Å; K700-N703 WeakPolarHBondContact CE-OD1 3.44Å; K700-N703 HydrophobicContact CG-CB 4.12Å; K700-N703 PolarHBondContact O-N 3.08Å; N703-S715 PolarHBondContact O-N 2.83Å; N703-S715 PolarHBondContact O-OG 2.99Å; N703-D716 HydrophobicContact CB-CB 4.48Å
704	I	97.2	Very high	91.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118.2	176.9	-64.4	174.7	0	0	0	106.2	S642 L643 I665 E702 V712 L714 I794	S642-I704 CarbonylContact C-O 3.41Å; S642-I704 VanDerWaalsContact CA-O 3.24Å; S642-I704 WeakPolarHBondContact CA-O 3.28Å; L643-I704 HydrophobicContact CB-CB 4.03Å; L643-I704 HydrophobicContact CB-CG2 3.93Å; L643-I704 HydrophobicContact CD2-CB 4.47Å; L643-I704 HydrophobicContact CD2-CD1 4.29Å; L643-I704 HydrophobicContact CD2-CG2 4.11Å; L643-I704 PolarHBondContact N-O 2.92Å; I665-I704 HydrophobicContact CD1-CD1 4.09Å; I665-I704 HydrophobicContact CD1-CG2 4.12Å; I665-I704 HydrophobicContact CG1-CD1 4.26Å; I665-I704 HydrophobicContact CG1-CG2 3.92Å; I665-I704 HydrophobicContact CG2-CD1 4.21Å; E702-I704 VanDerWaalsContact C-N 3.28Å; E702-I704 PolarHBondContact O-N 3.4Å; I704-V712 HydrophobicContact CG2-CG1 3.26Å; I704-L714 HydrophobicContact CD1-CD2 4.38Å; I704-L714 HydrophobicContact CG1-CD2 3.89Å; I704-I794 HydrophobicContact CD1-CD1 3.82Å; I704-I794 HydrophobicContact CD1-CG2 3.94Å
705	L	95.2	Very high	91.5	Very high	37 Å²	37	27.7 Å²	27.7	19%	0.194	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	155.1	-173.4	-55.3	179.4	0	0	0	111.9	V613 A638 G641 V712 C713 S715	V613-L705 HydrophobicContact CG2-CD1 4.34Å; A638-L705 HydrophobicContact CB-CB 3.55Å; A638-L705 HydrophobicContact CB-CD1 3.99Å; A638-L705 HydrophobicContact CB-CG 4.35Å; G641-L705 CarbonylContact O-C 3.5Å; G641-L705 WeakPolarHBondContact O-CA 3.41Å; L705-V712 CarbonylContact O-C 3.59Å; L705-V712 WeakPolarHBondContact O-CA 3.47Å; L705-V712 WeakPolarHBondContact O-CG1 3.28Å; L705-C713 PolarHBondContact N-O 3.21Å; L705-C713 PolarHBondContact O-N 3.33Å; L705-S715 WeakPolarHBondContact CG-OG 3.36Å
706	I	95.5	Very high	91.5	Very high	20 Å²	20	30.1 Å²	30.1	10%	0.103	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	122.8	-179	-53.7	170.6	0	0	0	108	A638 G640 G641 L646 V712	A638-I706 CarbonylContact C-O 3.47Å; G640-I706 WeakPolarHBondContact CA-O 3.5Å; G640-I706 PolarHBondContact N-O 2.82Å; G641-I706 PolarHBondContact O-N 3.33Å; L646-I706 HydrophobicContact CB-CD1 3.87Å; L646-I706 HydrophobicContact CD2-CD1 3.73Å; L646-I706 HydrophobicContact CG-CD1 4.35Å; I706-V712 HydrophobicContact CG1-CG2 4.29Å
707	R	88.5	Confident	91.1	Very high	38 Å²	38	30.8 Å²	30.8	14%	0.143	15%	0.154	C	C	.	.			trans	-79.7	168.5	175.3	-65	-164.2	-170.6	82.2	-1.3	112.1	P610 I612 E636 A638 D709 G710 T711	P610-R707 PolarHBondContact O-NH1 3.43Å; P610-R707 PolarHBondContact O-NH2 3.18Å; I612-R707 PolarHBondContact O-NH2 3.41Å; E636-R707 VanDerWaalsContact CD-NE 3.32Å; E636-R707 IonicContact OE1-CZ 3.51Å; E636-R707 IonicContact OE1-NE 3.82Å; E636-R707 PolarHBondContact OE1-NE 3.14Å; E636-R707 IonicContact OE1-NH2 2.82Å; E636-R707 PolarHBondContact OE1-NH2 3.03Å; E636-R707 IonicContact OE2-CZ 3.81Å; E636-R707 IonicContact OE2-NE 3.81Å; E636-R707 PolarHBondContact OE2-NE 3.44Å; E636-R707 IonicContact OE2-NH2 2.59Å; A638-R707 HydrophobicContact CB-CG 4.41Å; R707-D709 VanDerWaalsContact C-N 3.26Å; R707-D709 WeakPolarHBondContact CB-OD1 3.38Å; R707-D709 PolarHBondContact O-N 2.59Å; R707-G710 WeakPolarHBondContact O-CA 3.08Å; R707-G710 PolarHBondContact O-N 2.69Å; R707-T711 PolarHBondContact N-O 3.1Å; R707-T711 PolarHBondContact NH1-OG1 2.86Å; R707-T711 VanDerWaalsContact NH1-OG1 3.13Å
708	F	86.2	Confident	90.3	Very high	175 Å²	175	30.7 Å²	30.7	77%	0.768	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48	-42.6	173.3	159.3	-105.5	0	0	0	114	S639 G710	S639-F708 WeakPolarHBondContact OG-CA 3.42Å; S639-F708 WeakPolarHBondContact OG-CB 3.39Å; S639-F708 PolarHBondContact OG-N 3.28Å; F708-G710 PolarHBondContact O-N 3.08Å
709	D	83.1	Confident	89.5	Confident	86 Å²	86	33.4 Å²	33.4	46%	0.46	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	1.3	179.5	71.6	-12.7	0	0	0	113.8	R707 T711	R707-D709 VanDerWaalsContact C-N 3.26Å; R707-D709 WeakPolarHBondContact CB-OD1 3.38Å; R707-D709 PolarHBondContact O-N 2.59Å; D709-T711 VanDerWaalsContact C-N 3.3Å; D709-T711 PolarHBondContact O-N 3.31Å; D709-T711 WeakPolarHBondContact OD1-CB 3.41Å; D709-T711 PolarHBondContact OD1-N 3.45Å; D709-T711 PolarHBondContact OD1-OG1 2.99Å; D709-T711 WeakPolarHBondContact OD2-CG2 3.48Å
710	G	88.5	Confident	88.6	Confident	25 Å²	25	33.3 Å²	33.3	26%	0.258	17%	0.174	S	C	.	.	S	Bend	trans	70.8	18.5	-175.8	0	0	0	0	0	114	K660 R707 F708	K660-G710 VanDerWaalsContact NZ-C 3.32Å; K660-G710 PolarHBondContact NZ-O 3.23Å; R707-G710 WeakPolarHBondContact O-CA 3.08Å; R707-G710 PolarHBondContact O-N 2.69Å; F708-G710 PolarHBondContact O-N 3.08Å
711	T	90.5	Very high	87.4	Confident	29 Å²	29	32.1 Å²	32.1	18%	0.178	17%	0.17	C	C	.	.			trans	-70.9	145.2	161.8	55.1	0	0	0	0	110.3	R707 D709	R707-T711 PolarHBondContact N-O 3.1Å; R707-T711 PolarHBondContact NH1-OG1 2.86Å; R707-T711 VanDerWaalsContact NH1-OG1 3.13Å; D709-T711 VanDerWaalsContact C-N 3.3Å; D709-T711 PolarHBondContact O-N 3.31Å; D709-T711 WeakPolarHBondContact OD1-CB 3.41Å; D709-T711 PolarHBondContact OD1-N 3.45Å; D709-T711 PolarHBondContact OD1-OG1 2.99Å; D709-T711 WeakPolarHBondContact OD2-CG2 3.48Å
712	V	96.3	Very high	86.2	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	136.5	179.6	-175.9	0	0	0	0	110.4	N611 I661 D664 I665 I704 L705 I706	N611-V712 WeakPolarHBondContact CA-O 3.42Å; N611-V712 WeakPolarHBondContact CB-O 3.31Å; N611-V712 PolarHBondContact ND2-O 3.39Å; I661-V712 HydrophobicContact CB-CG2 4.35Å; I661-V712 HydrophobicContact CG1-CG2 4.07Å; I661-V712 HydrophobicContact CG2-CG2 4.13Å; D664-V712 HydrophobicContact CB-CB 3.76Å; D664-V712 HydrophobicContact CB-CG2 4.45Å; D664-V712 PolarHBondContact OD2-N 2.84Å; I665-V712 HydrophobicContact CD1-CG1 4.43Å; I665-V712 HydrophobicContact CG1-CG1 3.79Å; I704-V712 HydrophobicContact CG2-CG1 3.26Å; L705-V712 CarbonylContact O-C 3.59Å; L705-V712 WeakPolarHBondContact O-CA 3.47Å; L705-V712 WeakPolarHBondContact O-CG1 3.28Å; I706-V712 HydrophobicContact CG1-CG2 4.29Å
713	C	92.1	Very high	85	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	148.4	-179.5	60.8	0	0	0	0	113.7	N611 L705	N611-C713 VanDerWaalsContact C-CB 3.49Å; N611-C713 VanDerWaalsContact O-CA 3.3Å; N611-C713 WeakPolarHBondContact O-CA 3.34Å; L705-C713 PolarHBondContact N-O 3.21Å; L705-C713 PolarHBondContact O-N 3.33Å
714	L	92.9	Very high	83.5	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	142.8	174.5	-52.8	-178.2	0	0	0	110.9	N611 I612 V613 I665 L669 L672 L699 I704 F717	N611-L714 PolarHBondContact O-N 2.87Å; I612-L714 HydrophobicContact CD1-CB 4.03Å; I612-L714 HydrophobicContact CD1-CD1 4.12Å; I612-L714 HydrophobicContact CD1-CG 4.28Å; V613-L714 WeakPolarHBondContact CG1-O 3.47Å; V613-L714 PolarHBondContact N-O 3.4Å; I665-L714 HydrophobicContact CG2-CD2 4.22Å; L669-L714 HydrophobicContact CB-CD1 4.14Å; L669-L714 HydrophobicContact CD1-CD1 4.42Å; L672-L714 HydrophobicContact CD1-CD1 3.54Å; L699-L714 HydrophobicContact CD2-CD1 4.38Å; L699-L714 HydrophobicContact CD2-CD2 4.17Å; I704-L714 HydrophobicContact CD1-CD2 4.38Å; I704-L714 HydrophobicContact CG1-CD2 3.89Å; L714-F717 HydrophobicContact CB-CZ 4.42Å
715	S	88.8	Confident	81.2	Confident	9 Å²	9	34.1 Å²	34.1	6%	0.063	19%	0.189	C	C	.	.			trans	-142.1	172.2	-177.5	74	0	0	0	0	112.9	H696 N703 L705	H696-S715 PolarHBondContact CE1-O 3.21Å; H696-S715 PolarHBondContact NE2-O 3.29Å; N703-S715 PolarHBondContact O-N 2.83Å; N703-S715 PolarHBondContact O-OG 2.99Å; L705-S715 WeakPolarHBondContact CG-OG 3.36Å
716	D	83.6	Confident	78.7	Confident	50 Å²	50	36.2 Å²	36.2	27%	0.267	20%	0.2	S	C	.	.			trans	60.4	65.8	179.5	-152.4	-6.1	0	0	0	115.7	K512 N703 G718	K512-D716 IonicContact NZ-OD1 3.26Å; K512-D716 PolarHBondContact NZ-OD1 3Å; K512-D716 IonicContact NZ-OD2 2.63Å; K512-D716 PolarHBondContact NZ-OD2 3.31Å; N703-D716 HydrophobicContact CB-CB 4.48Å; D716-G718 PolarHBondContact O-N 2.66Å
717	F	78.9	Confident	75.6	Confident	15 Å²	15	39.1 Å²	39.1	7%	0.066	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-72	12.9	175.3	-59.5	-75.9	0	0	0	114.8	V600 L604 I612 V613 L672 H696 L714 Q719 S720	V600-F717 HydrophobicContact CG1-CB 4.26Å; V600-F717 HydrophobicContact CG1-CG 4.42Å; L604-F717 HydrophobicContact CD1-CB 4.46Å; L604-F717 HydrophobicContact CD1-CD1 4.45Å; L604-F717 HydrophobicContact CD1-CD2 3.34Å; L604-F717 HydrophobicContact CD1-CE2 3.62Å; L604-F717 HydrophobicContact CD1-CG 3.82Å; L604-F717 HydrophobicContact CD1-CZ 4.32Å; L604-F717 HydrophobicContact CD2-CE2 4.21Å; L604-F717 HydrophobicContact CD2-CZ 4.32Å; I612-F717 HydrophobicContact CD1-CZ 4.28Å; I612-F717 HydrophobicContact CG2-CE2 3.89Å; I612-F717 HydrophobicContact CG2-CZ 3.68Å; V613-F717 HydrophobicContact CG1-CE2 4.09Å; L672-F717 HydrophobicContact CD1-CE1 3.75Å; L672-F717 HydrophobicContact CD1-CZ 4.44Å; L672-F717 HydrophobicContact CD2-CE1 3.77Å; L672-F717 HydrophobicContact CD2-CZ 4.33Å; L672-F717 HydrophobicContact CG-CE1 4.41Å; H696-F717 AromaticContact CD2-CD1 3.93Å; H696-F717 AromaticContact CD2-CE1 3.69Å; L714-F717 HydrophobicContact CB-CZ 4.42Å; F717-Q719 PolarHBondContact O-N 3.16Å; F717-Q719 VanDerWaalsContact O-N 3.08Å; F717-S720 WeakPolarHBondContact CA-OG 3.37Å; F717-S720 WeakPolarHBondContact O-CB 3.47Å; F717-S720 PolarHBondContact O-N 3Å; F717-S720 PolarHBondContact O-OG 3.08Å
718	G	69.8	Low	72.8	Confident	27 Å²	27	42.9 Å²	42.9	28%	0.278	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-61.4	-21.2	-173.5	0	0	0	0	0	115	D716	D716-G718 PolarHBondContact O-N 2.66Å
719	Q	74	Confident	70	Confident	74 Å²	74	41.1 Å²	41.1	35%	0.346	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-107.2	0	176.6	-66.1	-68.7	3.6	0	0	113.7	R697 D698 F717	R697-Q719 HydrophobicContact CB-CB 4.47Å; R697-Q719 WeakPolarHBondContact CD-O 3.48Å; R697-Q719 PolarHBondContact NH1-O 3.37Å; D698-Q719 HydrophobicContact CB-CB 4.29Å; D698-Q719 HydrophobicContact CB-CG 4.35Å; F717-Q719 PolarHBondContact O-N 3.16Å; F717-Q719 VanDerWaalsContact O-N 3.08Å
720	S	75.1	Confident	67.4	Low	1 Å²	1	41.5 Å²	41.5	1%	0.007	26%	0.259	C	S	.	.			trans	-75.4	147.6	-170.4	-57.7	0	0	0	0	112.7	A695 H696 F717	A695-S720 CarbonylContact O-C 3.37Å; A695-S720 WeakPolarHBondContact O-CA 3.49Å; A695-S720 VanDerWaalsContact O-CB 3.29Å; A695-S720 WeakPolarHBondContact O-CB 3.33Å; H696-S720 WeakPolarHBondContact CA-OG 3.17Å; H696-S720 WeakPolarHBondContact O-CA 3.42Å; H696-S720 PolarHBondContact O-OG 3.02Å; F717-S720 WeakPolarHBondContact CA-OG 3.37Å; F717-S720 WeakPolarHBondContact O-CB 3.47Å; F717-S720 PolarHBondContact O-N 3Å; F717-S720 PolarHBondContact O-OG 3.08Å
721	V	71.5	Confident	64.3	Low	8 Å²	8	46 Å²	46	5%	0.048	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	129.7	-179.5	176.3	0	0	0	0	109.5	V694 A695 L723 L755 M758	V694-V721 WeakPolarHBondContact CA-O 3.42Å; A695-V721 PolarHBondContact N-O 3.31Å; A695-V721 PolarHBondContact O-N 3.4Å; V721-L723 HydrophobicContact CG1-CD2 4.26Å; V721-L755 HydrophobicContact CG1-CD2 4.39Å; V721-M758 HydrophobicContact CG2-CE 4.25Å; V721-M758 HydrophobicContact CG2-SD 4.16Å
722	C	71.8	Confident	61.3	Low	11 Å²	11	51 Å²	51	7%	0.074	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	130.3	171.9	-165.7	0	0	0	0	111	Y599 V600 Y692 A724	Y599-C722 HydrophobicContact CD1-CB 4.14Å; Y599-C722 WeakPolarHBondContact CD1-SG 3.37Å; Y599-C722 WeakPolarHBondContact CE1-SG 3.2Å; V600-C722 HydrophobicContact CG2-CB 4.01Å; Y692-C722 VanDerWaalsContact CB-SG 3.59Å; C722-A724 PolarHBondContact O-N 2.77Å
723	L	71.7	Confident	57.9	Low	11 Å²	11	55.1 Å²	55.1	6%	0.058	34%	0.344	C	S	.	.			trans	-96.9	75.1	-177.1	-53.9	177.5	0	0	0	108.9	Y692 P693 V721 Y749 G780 L783 L784	Y692-L723 WeakPolarHBondContact CB-O 3.3Å; P693-L723 HydrophobicContact CB-CB 4.26Å; P693-L723 HydrophobicContact CB-CD1 4.13Å; P693-L723 WeakPolarHBondContact O-CB 3.31Å; P693-L723 PolarHBondContact O-N 3.49Å; V721-L723 HydrophobicContact CG1-CD2 4.26Å; L723-Y749 HydrophobicContact CB-CD1 4.21Å; L723-Y749 HydrophobicContact CB-CE1 4.48Å; L723-Y749 WeakPolarHBondContact O-CD1 3.45Å; L723-Y749 WeakPolarHBondContact O-CE1 3.44Å; L723-G780 WeakPolarHBondContact CD1-O 2.94Å; L723-L783 HydrophobicContact CD2-CD1 4.22Å; L723-L784 HydrophobicContact CD1-CD1 3.95Å; L723-L784 HydrophobicContact CD1-CD2 3.76Å; L723-L784 HydrophobicContact CD1-CG 3.68Å
724	A	61.4	Low	54.8	Low	51 Å²	51	61.3 Å²	61.3	42%	0.421	38%	0.377	S	S	.	.			trans	-76.8	142.6	175.2	0	0	0	0	0	111.4	Y692 C722	Y692-A724 HydrophobicContact CD1-CB 4.42Å; Y692-A724 HydrophobicContact CD2-CB 3.71Å; Y692-A724 HydrophobicContact CE1-CB 4.46Å; Y692-A724 HydrophobicContact CE2-CB 3.79Å; Y692-A724 HydrophobicContact CG-CB 4.08Å; C722-A724 PolarHBondContact O-N 2.77Å
725	E	50.9	Low	51.8	Low	48 Å²	48	68.2 Å²	68.2	22%	0.224	41%	0.414	C	S	.	.			trans	-71.5	135.2	167.8	-69.1	-173.3	-174.3	0	0	110.2	N678 Y692 S727 Y749	N678-E725 PolarHBondContact ND2-OE1 2.82Å; Y692-E725 HydrophobicContact CE1-CB 4.2Å; Y692-E725 HydrophobicContact CE1-CG 4.31Å; E725-S727 PolarHBondContact O-N 2.91Å; E725-Y749 HydrophobicContact CG-CD1 4.02Å; E725-Y749 HydrophobicContact CG-CE1 3.56Å
726	N	40.7	Very low	48.8	Very low	81 Å²	81	73 Å²	73	43%	0.433	45%	0.448	S	S	.	.			trans	-68.2	114	164.7	-71.2	-47.4	0	0	0	108.4	S750	N726-S750 PolarHBondContact ND2-O 2.9Å; N726-S750 PolarHBondContact ND2-OG 3.06Å
727	S	30.7	Very low	46	Very low	81 Å²	81	77 Å²	77	57%	0.566	48%	0.478	S	S	*	.			trans	-48.8	131.5	178	-176.4	0	0	0	0	110.8	E725 N729	E725-S727 PolarHBondContact O-N 2.91Å; S727-N729 PolarHBondContact O-N 3.3Å; S727-N729 PolarHBondContact OG-ND2 3.44Å
728	P	29.7	Very low	43.5	Very low	118 Å²	118	79.8 Å²	79.8	77%	0.766	51%	0.51	S	S	*	.	S	Bend	trans	-73.1	31.2	-171.9	30.3	-37.4	0	0	0	114.6
729	N	28.4	Very low	41.4	Very low	138 Å²	138	83.8 Å²	83.8	74%	0.738	53%	0.53	S	S	*	.			trans	-105.9	13.1	-174.9	-70.7	-25.4	0	0	0	113.8	S727 P731	S727-N729 PolarHBondContact O-N 3.3Å; S727-N729 PolarHBondContact OG-ND2 3.44Å; N729-P731 WeakPolarHBondContact O-CD 3.37Å
730	S	27.3	Very low	39.2	Very low	93 Å²	93	82.9 Å²	82.9	65%	0.65	53%	0.532	S	S	*	.	S	Bend	trans	-83.1	114.5	162	-170.6	0	0	0	0	108.8	T732	S730-T732 VanDerWaalsContact C-N 3.33Å; S730-T732 PolarHBondContact O-N 3.44Å
731	P	24.2	Very low	36.8	Very low	121 Å²	121	89.6 Å²	89.6	79%	0.786	57%	0.567	S	S	*	*			trans	-82.4	75.5	-173.1	34.1	-35.5	0	0	0	111.3	N729 S733	N729-P731 WeakPolarHBondContact O-CD 3.37Å; P731-S733 VanDerWaalsContact C-N 3.27Å; P731-S733 PolarHBondContact O-N 2.89Å
732	T	27.5	Very low	34.8	Very low	132 Å²	132	95.9 Å²	95.9	81%	0.81	60%	0.595	S	S	*	*			trans	-72.5	89.5	160.3	35.8	0	0	0	0	109.2	S730	S730-T732 VanDerWaalsContact C-N 3.33Å; S730-T732 PolarHBondContact O-N 3.44Å
733	S	25.6	Very low	32.8	Very low	89 Å²	89	98.6 Å²	98.6	62%	0.622	61%	0.609	S	S	*	*			trans	-57.8	150.4	166.7	53.5	0	0	0	0	111.2	P731	P731-S733 VanDerWaalsContact C-N 3.27Å; P731-S733 PolarHBondContact O-N 2.89Å
734	N	27.4	Very low	30.7	Very low	130 Å²	130	101.7 Å²	101.7	70%	0.695	63%	0.628	S	S	*	*			trans	88.5	89.5	162	-48.9	-30.7	0	0	0	118.5
735	N	27.9	Very low	29.1	Very low	145 Å²	145	104.1 Å²	104.1	78%	0.775	63%	0.634	S	S	*	*				93.6	142.1	117.6	-62.3	-20.6	0	0	0	122
736	S	27.7	Very low	28.1	Very low	110 Å²	110	105.6 Å²	105.6	77%	0.769	65%	0.646	S	S	*	*			trans	69.2	99.4	153.8	44.7	0	0	0	0	120.4
737	C	23.8	Very low	27.7	Very low	133 Å²	133	106.1 Å²	106.1	90%	0.899	65%	0.652	S	S	*	*				65.8	114.4	122.9	-157	0	0	0	0	119.6
738	G	25.8	Very low	27.8	Very low	73 Å²	73	104.1 Å²	104.1	75%	0.753	64%	0.637	S	S	*	*			trans	118.9	-5.4	143	0	0	0	0	0	117.9	S740	G738-S740 PolarHBondContact O-N 3.36Å
739	T	26.8	Very low	28.2	Very low	111 Å²	111	99.1 Å²	99.1	68%	0.681	60%	0.603	S	S	*	*			trans	-68.6	128.3	-179.4	41.9	0	0	0	0	112.3	D743	T739-D743 HydrophobicContact CG2-CB 4.08Å
740	S	26.5	Very low	28.3	Very low	55 Å²	55	95.1 Å²	95.1	39%	0.385	59%	0.585	S	S	.	*			trans	-71.8	164.4	177.1	71.2	0	0	0	0	111.4	G738 Q742 D743 V744	G738-S740 PolarHBondContact O-N 3.36Å; S740-Q742 PolarHBondContact O-N 3.04Å; S740-Q742 VanDerWaalsContact OG-CB 3.24Å; S740-Q742 WeakPolarHBondContact OG-CB 3.12Å; S740-Q742 PolarHBondContact OG-N 3.45Å; S740-D743 WeakPolarHBondContact CA-OD2 3.46Å; S740-D743 WeakPolarHBondContact CB-OD2 3.18Å; S740-D743 PolarHBondContact N-OD2 3.19Å; S740-D743 PolarHBondContact O-N 2.88Å; S740-D743 VanDerWaalsContact OG-CG 3.24Å; S740-D743 PolarHBondContact OG-N 2.82Å; S740-D743 PolarHBondContact OG-OD2 3.03Å; S740-V744 PolarHBondContact O-N 2.81Å
741	L	25.7	Very low	29	Very low	143 Å²	143	92.5 Å²	92.5	75%	0.749	57%	0.565	S	S	*	*	H	α-helix	trans	-60.3	-24.2	170.2	-97.9	163.2	0	0	0	112.4	L745	L741-L745 WeakPolarHBondContact O-CD1 3.44Å; L741-L745 WeakPolarHBondContact O-CG 3.42Å; L741-L745 PolarHBondContact O-N 2.9Å
742	Q	30.1	Very low	29.5	Very low	139 Å²	139	88 Å²	88	65%	0.65	54%	0.537	S	S	*	.	H	α-helix	trans	-60.7	-54.8	169.9	-128.8	72.7	15.7	0	0	109.9	S740 V744 L745 T746	S740-Q742 PolarHBondContact O-N 3.04Å; S740-Q742 VanDerWaalsContact OG-CB 3.24Å; S740-Q742 WeakPolarHBondContact OG-CB 3.12Å; S740-Q742 PolarHBondContact OG-N 3.45Å; Q742-V744 VanDerWaalsContact C-N 3.27Å; Q742-V744 PolarHBondContact O-N 3.09Å; Q742-L745 CarbonylContact O-C 3.54Å; Q742-L745 WeakPolarHBondContact O-CA 3.33Å; Q742-L745 WeakPolarHBondContact O-CB 3.32Å; Q742-L745 PolarHBondContact O-N 2.84Å; Q742-T746 PolarHBondContact O-N 2.94Å; Q742-T746 PolarHBondContact O-OG1 3.39Å
743	D	29.1	Very low	29.8	Very low	68 Å²	68	85.5 Å²	85.5	36%	0.364	53%	0.525	S	S	.	.	H	α-helix	trans	-60.3	-34.8	-175.4	-54.5	-52.5	0	0	0	113	T739 S740 T746 T747	T739-D743 HydrophobicContact CG2-CB 4.08Å; S740-D743 WeakPolarHBondContact CA-OD2 3.46Å; S740-D743 WeakPolarHBondContact CB-OD2 3.18Å; S740-D743 PolarHBondContact N-OD2 3.19Å; S740-D743 PolarHBondContact O-N 2.88Å; S740-D743 VanDerWaalsContact OG-CG 3.24Å; S740-D743 PolarHBondContact OG-N 2.82Å; S740-D743 PolarHBondContact OG-OD2 3.03Å; D743-T746 PolarHBondContact O-N 2.75Å; D743-T747 VanDerWaalsContact O-CB 3.26Å; D743-T747 WeakPolarHBondContact O-CB 3.3Å; D743-T747 PolarHBondContact O-N 3.12Å; D743-T747 PolarHBondContact O-OG1 2.89Å
744	V	27.9	Very low	30.4	Very low	76 Å²	76	81.3 Å²	81.3	46%	0.461	50%	0.495	S	S	.	.	H	α-helix	trans	-68.4	-37.3	174.7	-177.6	0	0	0	0	111.5	S740 Q742 T747 T748	S740-V744 PolarHBondContact O-N 2.81Å; Q742-V744 VanDerWaalsContact C-N 3.27Å; Q742-V744 PolarHBondContact O-N 3.09Å; V744-T747 PolarHBondContact O-N 3.25Å; V744-T748 WeakPolarHBondContact O-CG2 3.29Å; V744-T748 PolarHBondContact O-N 3.47Å; V744-T748 PolarHBondContact O-OG1 3.33Å
745	L	27.5	Very low	31.3	Very low	103 Å²	103	75.4 Å²	75.4	54%	0.539	46%	0.464	S	S	.	.	H	α-helix	trans	-75.5	-25	174.9	-70.4	166.6	0	0	0	113.2	L741 Q742 T748	L741-L745 WeakPolarHBondContact O-CD1 3.44Å; L741-L745 WeakPolarHBondContact O-CG 3.42Å; L741-L745 PolarHBondContact O-N 2.9Å; Q742-L745 CarbonylContact O-C 3.54Å; Q742-L745 WeakPolarHBondContact O-CA 3.33Å; Q742-L745 WeakPolarHBondContact O-CB 3.32Å; Q742-L745 PolarHBondContact O-N 2.84Å; L745-T748 PolarHBondContact O-OG1 3.47Å
746	T	30.8	Very low	31.9	Very low	79 Å²	79	75.4 Å²	75.4	49%	0.485	46%	0.459	S	S	.	.	H	α-helix	trans	-77.4	-27.7	172.7	-37.4	0	0	0	0	111.9	Q742 D743	Q742-T746 PolarHBondContact O-N 2.94Å; Q742-T746 PolarHBondContact O-OG1 3.39Å; D743-T746 PolarHBondContact O-N 2.75Å
747	T	32.3	Very low	32.5	Very low	91 Å²	91	74.3 Å²	74.3	56%	0.558	45%	0.452	S	S	*	.	H	α-helix	trans	-97	-20	-172.6	-54.3	0	0	0	0	114.2	D743 V744 Y749 S750	D743-T747 VanDerWaalsContact O-CB 3.26Å; D743-T747 WeakPolarHBondContact O-CB 3.3Å; D743-T747 PolarHBondContact O-N 3.12Å; D743-T747 PolarHBondContact O-OG1 2.89Å; V744-T747 PolarHBondContact O-N 3.25Å; T747-Y749 PolarHBondContact O-N 2.76Å; T747-S750 WeakPolarHBondContact O-CB 3.35Å; T747-S750 PolarHBondContact O-N 2.77Å; T747-S750 PolarHBondContact O-OG 3.15Å
748	T	32.7	Very low	33.9	Very low	39 Å²	39	69.8 Å²	69.8	24%	0.239	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-39.3	179.8	30.7	0	0	0	0	113.2	V744 L745 S750	V744-T748 WeakPolarHBondContact O-CG2 3.29Å; V744-T748 PolarHBondContact O-N 3.47Å; V744-T748 PolarHBondContact O-OG1 3.33Å; L745-T748 PolarHBondContact O-OG1 3.47Å; T748-S750 VanDerWaalsContact C-N 3.27Å; T748-S750 PolarHBondContact O-N 2.83Å
749	Y	37.1	Very low	35	Very low	14 Å²	14	69.4 Å²	69.4	6%	0.055	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	60.3	170.2	-62.1	-69.5	0	0	0	110.9	D675 L723 E725 T747 V751 W781	D675-Y749 PolarHBondContact OD2-OH 2.71Å; L723-Y749 HydrophobicContact CB-CD1 4.21Å; L723-Y749 HydrophobicContact CB-CE1 4.48Å; L723-Y749 WeakPolarHBondContact O-CD1 3.45Å; L723-Y749 WeakPolarHBondContact O-CE1 3.44Å; E725-Y749 HydrophobicContact CG-CD1 4.02Å; E725-Y749 HydrophobicContact CG-CE1 3.56Å; T747-Y749 PolarHBondContact O-N 2.76Å; Y749-V751 WeakPolarHBondContact O-CG2 3.48Å; Y749-V751 PolarHBondContact O-N 3.13Å; Y749-W781 HydrophobicContact CD2-CZ2 4.39Å; Y749-W781 AromaticContact CD2-NE1 3.81Å; Y749-W781 HydrophobicContact CE2-CZ2 4.06Å
750	S	31.3	Very low	36.5	Very low	53 Å²	53	69.9 Å²	69.9	37%	0.371	39%	0.394	S	S	.	.			trans	-69.4	82.1	170.3	30.6	0	0	0	0	109.7	N726 T747 T748 S752	N726-S750 PolarHBondContact ND2-O 2.9Å; N726-S750 PolarHBondContact ND2-OG 3.06Å; T747-S750 WeakPolarHBondContact O-CB 3.35Å; T747-S750 PolarHBondContact O-N 2.77Å; T747-S750 PolarHBondContact O-OG 3.15Å; T748-S750 VanDerWaalsContact C-N 3.27Å; T748-S750 PolarHBondContact O-N 2.83Å; S750-S752 PolarHBondContact O-N 3.17Å
751	V	42.4	Very low	38	Very low	38 Å²	38	68 Å²	68	23%	0.23	38%	0.382	C	S	.	.			trans	-54	116.5	171.5	-168	0	0	0	0	107.4	Y749 L755 F778 G780	Y749-V751 WeakPolarHBondContact O-CG2 3.48Å; Y749-V751 PolarHBondContact O-N 3.13Å; V751-L755 HydrophobicContact CG1-CB 3.49Å; V751-L755 VanDerWaalsContact CG1-CB 3.49Å; V751-L755 HydrophobicContact CG1-CD1 3.56Å; V751-L755 HydrophobicContact CG1-CD2 3.56Å; V751-L755 HydrophobicContact CG1-CG 3.66Å; V751-F778 WeakPolarHBondContact CB-O 3.49Å; V751-F778 WeakPolarHBondContact CG2-O 3.45Å; V751-G780 VanDerWaalsContact CG2-N 3.26Å
752	S	34.4	Very low	40	Very low	28 Å²	28	62 Å²	62	20%	0.196	36%	0.356	C	S	.	.			trans	-64.7	150.6	-174.4	-56.8	0	0	0	0	110.2	I592 S750 A754 L755	I592-S752 WeakPolarHBondContact CD1-OG 3.31Å; S750-S752 PolarHBondContact O-N 3.17Å; S752-A754 PolarHBondContact O-N 3.49Å; S752-L755 PolarHBondContact O-N 3.1Å
753	S	33.8	Very low	42.5	Very low	79 Å²	79	57.8 Å²	57.8	55%	0.552	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-51.6	-15.8	-179.3	47.5	0	0	0	0	114.8	L755 E756	S753-L755 PolarHBondContact O-N 3.2Å; S753-E756 PolarHBondContact O-N 3.25Å
754	A	37.1	Very low	45.4	Very low	0 Å²	0	56.7 Å²	56.7	0%	0	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-43.5	-38.2	160.9	0	0	0	0	0	115.2	I589 S752 S757	I589-A754 HydrophobicContact CB-CB 4.14Å; I589-A754 HydrophobicContact CG1-CB 4.12Å; I589-A754 HydrophobicContact CG2-CB 3.7Å; S752-A754 PolarHBondContact O-N 3.49Å; A754-S757 PolarHBondContact O-N 3.06Å; A754-S757 PolarHBondContact O-OG 2.97Å
755	L	46.5	Very low	48.5	Very low	6 Å²	6	54.1 Å²	54.1	3%	0.031	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-79.1	-21.8	-175.5	-96.7	87.2	0	0	0	114.6	V721 V751 S752 S753 S757 M758 F778 L783	V721-L755 HydrophobicContact CG1-CD2 4.39Å; V751-L755 HydrophobicContact CG1-CB 3.49Å; V751-L755 VanDerWaalsContact CG1-CB 3.49Å; V751-L755 HydrophobicContact CG1-CD1 3.56Å; V751-L755 HydrophobicContact CG1-CD2 3.56Å; V751-L755 HydrophobicContact CG1-CG 3.66Å; S752-L755 PolarHBondContact O-N 3.1Å; S753-L755 PolarHBondContact O-N 3.2Å; L755-S757 PolarHBondContact O-N 3.49Å; L755-S757 VanDerWaalsContact O-N 3.14Å; L755-M758 HydrophobicContact CD2-SD 3.96Å; L755-M758 HydrophobicContact CG-CG 4.12Å; L755-M758 HydrophobicContact CG-SD 3.8Å; L755-M758 PolarHBondContact O-N 3.29Å; L755-F778 HydrophobicContact CB-CB 4.44Å; L755-F778 HydrophobicContact CB-CD1 4.03Å; L755-F778 HydrophobicContact CB-CG 4.41Å; L755-F778 HydrophobicContact CD2-CD1 4.49Å; L755-F778 VanDerWaalsContact O-CE1 3.23Å; L755-F778 WeakPolarHBondContact O-CE1 3Å; L755-L783 HydrophobicContact CD2-CD1 3.67Å
756	E	41.2	Very low	51.8	Low	146 Å²	146	49.5 Å²	49.5	68%	0.682	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-61.6	-21.1	173.1	-62.3	179	166	0	0	111.9	S753 F778	S753-E756 PolarHBondContact O-N 3.25Å; E756-F778 HydrophobicContact CG-CD2 4.09Å
757	S	40.5	Very low	54.7	Low	87 Å²	87	46.4 Å²	46.4	61%	0.608	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-96.5	3	175.3	62.8	0	0	0	0	115.6	A754 L755	A754-S757 PolarHBondContact O-N 3.06Å; A754-S757 PolarHBondContact O-OG 2.97Å; L755-S757 PolarHBondContact O-N 3.49Å; L755-S757 VanDerWaalsContact O-N 3.14Å
758	M	51.8	Low	57.7	Low	38 Å²	38	42 Å²	42	19%	0.187	24%	0.244	C	C	.	.			trans	-68.3	136.4	178.5	-77.5	-161.8	96.5	0	0	111.4	V721 L755	V721-M758 HydrophobicContact CG2-CE 4.25Å; V721-M758 HydrophobicContact CG2-SD 4.16Å; L755-M758 HydrophobicContact CD2-SD 3.96Å; L755-M758 HydrophobicContact CG-CG 4.12Å; L755-M758 HydrophobicContact CG-SD 3.8Å; L755-M758 PolarHBondContact O-N 3.29Å
759	P	50.3	Low	60.6	Low	64 Å²	64	40.3 Å²	40.3	42%	0.416	23%	0.233	S	C	.	.			trans	-60.3	154.8	172.2	26.1	-34.2	0	0	0	111.2	A761	P759-A761 VanDerWaalsContact C-N 3.27Å; P759-A761 PolarHBondContact O-N 2.91Å
760	K	56.7	Low	63.1	Low	121 Å²	121	40.6 Å²	40.6	53%	0.526	24%	0.235	S	C	.	.			trans	-60.7	89.4	170.4	-73.6	-169.3	178.2	-174.6	0	109.6	I771 I772	K760-I771 VanDerWaalsContact CE-O 3.3Å; K760-I771 WeakPolarHBondContact CE-O 3.39Å; K760-I771 PolarHBondContact NZ-O 3.29Å; K760-I772 PolarHBondContact NZ-O 3.46Å
761	A	59	Low	65.8	Low	15 Å²	15	39.3 Å²	39.3	12%	0.124	22%	0.224	C	C	.	.			trans	-86.8	164.9	-178.7	0	0	0	0	0	111.9	P759 Q767	P759-A761 VanDerWaalsContact C-N 3.27Å; P759-A761 PolarHBondContact O-N 2.91Å; A761-Q767 PolarHBondContact O-NE2 3.41Å; A761-Q767 VanDerWaalsContact O-NE2 3.13Å
762	G	66.6	Low	68	Low	19 Å²	19	37.5 Å²	37.5	20%	0.196	21%	0.213	C	C	.	.	S	Bend	trans	85.4	158	-177.8	0	0	0	0	0	113.2	R697 D698 L764 Q767	R697-G762 VanDerWaalsContact O-CA 3.28Å; R697-G762 WeakPolarHBondContact O-CA 3.5Å; D698-G762 WeakPolarHBondContact OD1-CA 3.36Å; G762-L764 PolarHBondContact O-N 3.45Å; G762-Q767 PolarHBondContact O-NE2 3.17Å
763	T	83.8	Confident	70.4	Confident	50 Å²	50	39.3 Å²	39.3	31%	0.307	22%	0.22	S	C	.	.			trans	-73.8	117.4	-175.5	-57.9	0	0	0	0	110.8	D698 K700 R765 Y766 Q767	D698-T763 WeakPolarHBondContact OD1-CB 3.5Å; D698-T763 PolarHBondContact OD1-N 2.91Å; D698-T763 PolarHBondContact OD1-OG1 2.82Å; K700-T763 HydrophobicContact CD-CG2 4.33Å; K700-T763 WeakPolarHBondContact CD-OG1 3.26Å; K700-T763 PolarHBondContact NZ-OG1 2.91Å; T763-R765 VanDerWaalsContact C-N 3.3Å; T763-R765 PolarHBondContact O-N 2.96Å; T763-Y766 HydrophobicContact CG2-CD2 4.09Å; T763-Y766 PolarHBondContact O-N 2.67Å; T763-Q767 PolarHBondContact O-N 2.95Å
764	L	90.1	Very high	72.6	Confident	44 Å²	44	37.7 Å²	37.7	23%	0.23	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-40	-47.7	-169.6	-176.3	69.2	0	0	0	115.4	G762 Y766 Q767 L894	G762-L764 PolarHBondContact O-N 3.45Å; L764-Y766 PolarHBondContact O-N 3Å; L764-Q767 WeakPolarHBondContact O-CB 3.38Å; L764-Q767 PolarHBondContact O-N 3.2Å; L764-Q767 VanDerWaalsContact O-N 3.14Å; L764-L894 HydrophobicContact CD2-CD1 3.93Å; L764-L894 HydrophobicContact CG-CD1 3.71Å
765	R	93.1	Very high	74.3	Confident	22 Å²	22	41.3 Å²	41.3	8%	0.083	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-57.9	-30.1	179.4	-172.5	-171.7	-55.4	-82.2	-6.6	114.3	T763 L793 P879 Y880 C888 N889	T763-R765 VanDerWaalsContact C-N 3.3Å; T763-R765 PolarHBondContact O-N 2.96Å; R765-L793 WeakPolarHBondContact O-CD1 3.36Å; R765-P879 VanDerWaalsContact CD-O 3.23Å; R765-P879 WeakPolarHBondContact CD-O 3.33Å; R765-P879 HydrophobicContact CG-CB 4.18Å; R765-P879 WeakPolarHBondContact CG-O 3.46Å; R765-P879 PolarHBondContact NH1-O 3.49Å; R765-Y880 HydrophobicContact CG-CD2 4.36Å; R765-C888 VanDerWaalsContact CZ-SG 3.55Å; R765-C888 VanDerWaalsContact NH1-CB 3.34Å; R765-C888 PolarHBondContact NH1-SG 3.04Å; R765-C888 PolarHBondContact NH2-SG 2.92Å; R765-N889 PolarHBondContact NH2-OD1 3.48Å
766	Y	95.3	Very high	75.5	Confident	6 Å²	6	41.8 Å²	41.8	2%	0.024	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-99.8	-1.7	-177.7	-62.2	-87.6	0	0	0	113	R644 K700 T763 L764 Y789 S790 L793 I794 E797 P879	R644-Y766 PolarHBondContact NH2-OH 2.97Å; K700-Y766 HydrophobicContact CB-CD1 4.48Å; K700-Y766 HydrophobicContact CB-CD2 3.87Å; K700-Y766 HydrophobicContact CB-CE2 3.96Å; K700-Y766 HydrophobicContact CB-CG 4.17Å; T763-Y766 HydrophobicContact CG2-CD2 4.09Å; T763-Y766 PolarHBondContact O-N 2.67Å; L764-Y766 PolarHBondContact O-N 3Å; Y766-Y789 WeakPolarHBondContact O-CD1 3.25Å; Y766-S790 PolarHBondContact O-OG 3.26Å; Y766-L793 HydrophobicContact CD1-CB 4.04Å; Y766-L793 HydrophobicContact CD1-CD1 4.14Å; Y766-L793 HydrophobicContact CE1-CB 4.19Å; Y766-I794 HydrophobicContact CD1-CG1 4.47Å; Y766-I794 HydrophobicContact CE1-CG1 4.28Å; Y766-E797 WeakPolarHBondContact CE1-OE1 3.43Å; Y766-E797 PolarHBondContact OH-OE1 3.37Å; Y766-E797 VanDerWaalsContact OH-OE1 3.04Å; Y766-E797 PolarHBondContact OH-OE2 3.49Å; Y766-E797 VanDerWaalsContact OH-OE2 3.04Å; Y766-P879 HydrophobicContact CE1-CG 4.08Å
767	Q	93.1	Very high	76.6	Confident	14 Å²	14	38.5 Å²	38.5	7%	0.065	24%	0.242	C	C	.	.			trans	-70.1	137.4	177.3	-69.4	-179.9	-2	0	0	110.9	A761 G762 T763 L764 I771 I772 Y789	A761-Q767 PolarHBondContact O-NE2 3.41Å; A761-Q767 VanDerWaalsContact O-NE2 3.13Å; G762-Q767 PolarHBondContact O-NE2 3.17Å; T763-Q767 PolarHBondContact O-N 2.95Å; L764-Q767 WeakPolarHBondContact O-CB 3.38Å; L764-Q767 PolarHBondContact O-N 3.2Å; L764-Q767 VanDerWaalsContact O-N 3.14Å; Q767-I771 HydrophobicContact CB-CB 4.15Å; Q767-I771 HydrophobicContact CB-CG2 3.95Å; Q767-I771 HydrophobicContact CG-CG2 3.87Å; Q767-I772 HydrophobicContact CB-CD1 4.37Å; Q767-I772 HydrophobicContact CB-CG1 3.82Å; Q767-I772 WeakPolarHBondContact O-CD1 3.44Å; Q767-Y789 VanDerWaalsContact C-CE1 3.45Å; Q767-Y789 WeakPolarHBondContact O-CE1 3.45Å
768	A	94.2	Very high	77.7	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.227	C	C	.	.			trans	-68.7	154.8	175.1	0	0	0	0	0	111.5	E770 I771 I772 T786 Y789	A768-E770 VanDerWaalsContact CB-CD 3.45Å; A768-E770 HydrophobicContact CB-CG 4.47Å; A768-E770 WeakPolarHBondContact CB-OE1 3.48Å; A768-E770 VanDerWaalsContact CB-OE2 3.31Å; A768-E770 WeakPolarHBondContact CB-OE2 3.33Å; A768-E770 PolarHBondContact O-N 3.35Å; A768-I771 WeakPolarHBondContact O-CA 3.1Å; A768-I771 WeakPolarHBondContact O-CB 3.41Å; A768-I771 PolarHBondContact O-N 3.41Å; A768-I772 PolarHBondContact O-N 2.95Å; A768-T786 HydrophobicContact CB-CG2 4Å; A768-Y789 HydrophobicContact CB-CD1 3.77Å; A768-Y789 HydrophobicContact CB-CD2 4.32Å; A768-Y789 HydrophobicContact CB-CE1 4.45Å; A768-Y789 HydrophobicContact CB-CG 3.71Å
769	P	93.4	Very high	78.4	Confident	3 Å²	3	37.6 Å²	37.6	2%	0.019	23%	0.229	C	C	.	.	H	α-helix	trans	-54.4	-38.5	-176.8	20.3	-32.8	0	0	0	113.1	I771 I772 D773 V898 C899	P769-I771 VanDerWaalsContact C-N 3.26Å; P769-I771 PolarHBondContact O-N 2.76Å; P769-I772 PolarHBondContact O-N 2.97Å; P769-D773 WeakPolarHBondContact O-CB 3.24Å; P769-D773 PolarHBondContact O-N 2.77Å; P769-V898 HydrophobicContact CB-CG1 4.43Å; P769-C899 HydrophobicContact CB-CB 4.5Å
770	E	90.1	Very high	79.1	Confident	19 Å²	19	34.6 Å²	34.6	9%	0.089	21%	0.21	C	C	.	.	H	α-helix	trans	-64.9	-24.6	176.9	67.4	-84.5	-163	0	0	114.1	A768 G774 A775 I776 T786 R935	A768-E770 VanDerWaalsContact CB-CD 3.45Å; A768-E770 HydrophobicContact CB-CG 4.47Å; A768-E770 WeakPolarHBondContact CB-OE1 3.48Å; A768-E770 VanDerWaalsContact CB-OE2 3.31Å; A768-E770 WeakPolarHBondContact CB-OE2 3.33Å; A768-E770 PolarHBondContact O-N 3.35Å; E770-G774 CarbonylContact O-C 3.57Å; E770-G774 WeakPolarHBondContact O-CA 3.35Å; E770-G774 PolarHBondContact O-N 3.31Å; E770-A775 PolarHBondContact O-N 3.03Å; E770-I776 HydrophobicContact CB-CB 4.19Å; E770-I776 HydrophobicContact CG-CB 4.05Å; E770-I776 HydrophobicContact CG-CD1 4.11Å; E770-I776 HydrophobicContact CG-CG1 4.1Å; E770-I776 PolarHBondContact O-N 3.35Å; E770-I776 VanDerWaalsContact O-N 3.17Å; E770-T786 HydrophobicContact CG-CG2 4.32Å; E770-T786 WeakPolarHBondContact OE1-CG2 3.48Å; E770-R935 IonicContact OE1-CZ 3.09Å; E770-R935 IonicContact OE1-NH1 2.72Å; E770-R935 PolarHBondContact OE1-NH1 3.43Å; E770-R935 IonicContact OE1-NH2 3.37Å; E770-R935 PolarHBondContact OE1-NH2 2.72Å; E770-R935 IonicContact OE2-CZ 3.39Å; E770-R935 IonicContact OE2-NH1 3.12Å; E770-R935 IonicContact OE2-NH2 2.77Å; E770-R935 PolarHBondContact OE2-NH2 3.45Å
771	I	89.1	Confident	80.1	Confident	26 Å²	26	34.7 Å²	34.7	13%	0.133	21%	0.207	C	C	.	.	H	α-helix	trans	-81.7	-42.4	172.3	-60.9	-62.2	0	0	0	110.6	K760 Q767 A768 P769 G774 I776 T786	K760-I771 VanDerWaalsContact CE-O 3.3Å; K760-I771 WeakPolarHBondContact CE-O 3.39Å; K760-I771 PolarHBondContact NZ-O 3.29Å; Q767-I771 HydrophobicContact CB-CB 4.15Å; Q767-I771 HydrophobicContact CB-CG2 3.95Å; Q767-I771 HydrophobicContact CG-CG2 3.87Å; A768-I771 WeakPolarHBondContact O-CA 3.1Å; A768-I771 WeakPolarHBondContact O-CB 3.41Å; A768-I771 PolarHBondContact O-N 3.41Å; P769-I771 VanDerWaalsContact C-N 3.26Å; P769-I771 PolarHBondContact O-N 2.76Å; I771-G774 PolarHBondContact O-N 3.4Å; I771-I776 HydrophobicContact CD1-CB 4.2Å; I771-I776 HydrophobicContact CD1-CD1 3.46Å; I771-I776 VanDerWaalsContact CD1-CD1 3.46Å; I771-I776 HydrophobicContact CD1-CG1 4.42Å; I771-I776 HydrophobicContact CD1-CG2 4.02Å; I771-I776 HydrophobicContact CG1-CD1 4.41Å; I771-T786 HydrophobicContact CD1-CG2 3.94Å; I771-T786 HydrophobicContact CG1-CG2 3.63Å
772	I	88.3	Confident	81.3	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-47.5	179	-63.6	173.6	0	0	0	110.1	K760 Q767 A768 P769 G774 L894 Q895 V898	K760-I772 PolarHBondContact NZ-O 3.46Å; Q767-I772 HydrophobicContact CB-CD1 4.37Å; Q767-I772 HydrophobicContact CB-CG1 3.82Å; Q767-I772 WeakPolarHBondContact O-CD1 3.44Å; A768-I772 PolarHBondContact O-N 2.95Å; P769-I772 PolarHBondContact O-N 2.97Å; I772-G774 VanDerWaalsContact C-N 3.29Å; I772-G774 PolarHBondContact O-N 3.1Å; I772-L894 HydrophobicContact CD1-CB 4.49Å; I772-Q895 HydrophobicContact CG2-CB 3.74Å; I772-Q895 HydrophobicContact CG2-CG 4.25Å; I772-V898 HydrophobicContact CD1-CB 4.31Å; I772-V898 HydrophobicContact CD1-CG1 4.19Å
773	D	84.7	Confident	82.1	Confident	65 Å²	65	33.8 Å²	33.8	35%	0.348	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-21.9	175.2	-73.9	-17.5	0	0	0	113.1	P769 A775 Q895 C899	P769-D773 WeakPolarHBondContact O-CB 3.24Å; P769-D773 PolarHBondContact O-N 2.77Å; D773-A775 HydrophobicContact CB-CB 4.15Å; D773-Q895 WeakPolarHBondContact OD1-CG 3.42Å; D773-Q895 PolarHBondContact OD1-NE2 2.99Å; D773-C899 VanDerWaalsContact CG-SG 3.57Å; D773-C899 VanDerWaalsContact OD1-CB 3.3Å; D773-C899 WeakPolarHBondContact OD1-CB 3.15Å; D773-C899 PolarHBondContact OD1-SG 2.89Å; D773-C899 WeakPolarHBondContact OD2-CB 3.46Å
774	G	79.2	Confident	82.5	Confident	45 Å²	45	31.8 Å²	31.8	46%	0.464	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	16.5	-171.1	0	0	0	0	0	113.7	E770 I771 I772 I776	E770-G774 CarbonylContact O-C 3.57Å; E770-G774 WeakPolarHBondContact O-CA 3.35Å; E770-G774 PolarHBondContact O-N 3.31Å; I771-G774 PolarHBondContact O-N 3.4Å; I772-G774 VanDerWaalsContact C-N 3.29Å; I772-G774 PolarHBondContact O-N 3.1Å; G774-I776 VanDerWaalsContact C-N 3.32Å; G774-I776 PolarHBondContact O-N 3.45Å
775	A	73.6	Confident	82.6	Confident	76 Å²	76	32.1 Å²	32.1	63%	0.628	18%	0.183	S	C	*	.			trans	-91.1	18.1	-178.7	0	0	0	0	0	113.6	E770 D773 S777	E770-A775 PolarHBondContact O-N 3.03Å; D773-A775 HydrophobicContact CB-CB 4.15Å; A775-S777 PolarHBondContact O-N 3.48Å
776	I	70.6	Confident	82.7	Confident	17 Å²	17	31.5 Å²	31.5	9%	0.087	18%	0.182	C	C	.	.			trans	-70.5	127.9	-178.6	-172.7	162.3	0	0	0	111.8	E770 I771 G774 F778 A782 L783 T786	E770-I776 HydrophobicContact CB-CB 4.19Å; E770-I776 HydrophobicContact CG-CB 4.05Å; E770-I776 HydrophobicContact CG-CD1 4.11Å; E770-I776 HydrophobicContact CG-CG1 4.1Å; E770-I776 PolarHBondContact O-N 3.35Å; E770-I776 VanDerWaalsContact O-N 3.17Å; I771-I776 HydrophobicContact CD1-CB 4.2Å; I771-I776 HydrophobicContact CD1-CD1 3.46Å; I771-I776 VanDerWaalsContact CD1-CD1 3.46Å; I771-I776 HydrophobicContact CD1-CG1 4.42Å; I771-I776 HydrophobicContact CD1-CG2 4.02Å; I771-I776 HydrophobicContact CG1-CD1 4.41Å; G774-I776 VanDerWaalsContact C-N 3.32Å; G774-I776 PolarHBondContact O-N 3.45Å; I776-F778 HydrophobicContact CG2-CD1 4.39Å; I776-F778 HydrophobicContact CG2-CE1 3.97Å; I776-F778 HydrophobicContact CG2-CE2 4.12Å; I776-F778 HydrophobicContact CG2-CZ 3.83Å; I776-F778 PolarHBondContact O-N 2.97Å; I776-A782 HydrophobicContact CD1-CB 4.16Å; I776-A782 HydrophobicContact CG1-CB 4.11Å; I776-L783 HydrophobicContact CD1-CD2 4.06Å; I776-T786 HydrophobicContact CD1-CG2 3.83Å
777	S	64.5	Low	82.7	Confident	77 Å²	77	31.2 Å²	31.2	54%	0.538	18%	0.181	S	C	.	.			trans	-69.5	116	159.4	179.3	0	0	0	0	108.1	A775 T779 A782	A775-S777 PolarHBondContact O-N 3.48Å; S777-T779 PolarHBondContact O-N 2.87Å; S777-A782 WeakPolarHBondContact O-CB 3.06Å
778	F	63.5	Low	82.9	Confident	66 Å²	66	30.6 Å²	30.6	29%	0.289	18%	0.178	S	C	.	.			trans	-71.8	63.1	174.6	-64.8	-83.2	0	0	0	111.1	V751 L755 E756 I776	V751-F778 WeakPolarHBondContact CB-O 3.49Å; V751-F778 WeakPolarHBondContact CG2-O 3.45Å; L755-F778 HydrophobicContact CB-CB 4.44Å; L755-F778 HydrophobicContact CB-CD1 4.03Å; L755-F778 HydrophobicContact CB-CG 4.41Å; L755-F778 HydrophobicContact CD2-CD1 4.49Å; L755-F778 VanDerWaalsContact O-CE1 3.23Å; L755-F778 WeakPolarHBondContact O-CE1 3Å; E756-F778 HydrophobicContact CG-CD2 4.09Å; I776-F778 HydrophobicContact CG2-CD1 4.39Å; I776-F778 HydrophobicContact CG2-CE1 3.97Å; I776-F778 HydrophobicContact CG2-CE2 4.12Å; I776-F778 HydrophobicContact CG2-CZ 3.83Å; I776-F778 PolarHBondContact O-N 2.97Å
779	T	67.2	Low	83.1	Confident	39 Å²	39	30.6 Å²	30.6	24%	0.239	18%	0.178	C	C	.	.			trans	-97.8	151	162.3	55.7	0	0	0	0	108.8	S777 W781 A782 L783	S777-T779 PolarHBondContact O-N 2.87Å; T779-W781 PolarHBondContact O-N 2.85Å; T779-A782 PolarHBondContact O-N 3.26Å; T779-A782 VanDerWaalsContact O-N 3.13Å; T779-A782 WeakPolarHBondContact OG1-CB 3.08Å; T779-A782 PolarHBondContact OG1-N 2.83Å; T779-L783 PolarHBondContact O-N 3.19Å
780	G	65.4	Low	83.3	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-57.4	-41	179.2	0	0	0	0	0	112.1	L723 V751 A782 L783 L784	L723-G780 WeakPolarHBondContact CD1-O 2.94Å; V751-G780 VanDerWaalsContact CG2-N 3.26Å; G780-A782 PolarHBondContact O-N 2.76Å; G780-L783 PolarHBondContact O-N 2.78Å; G780-L784 PolarHBondContact O-N 2.93Å
781	W	77.3	Confident	83.7	Confident	123 Å²	123	30 Å²	30	47%	0.466	18%	0.176	S	C	.	.	H	α-helix	trans	-57.9	-42.9	176.3	-63.9	111.3	0	0	0	113.2	Y749 T779 L783 L784 R785	Y749-W781 HydrophobicContact CD2-CZ2 4.39Å; Y749-W781 AromaticContact CD2-NE1 3.81Å; Y749-W781 HydrophobicContact CE2-CZ2 4.06Å; T779-W781 PolarHBondContact O-N 2.85Å; W781-L783 VanDerWaalsContact C-N 3.32Å; W781-L783 PolarHBondContact O-N 3.33Å; W781-L784 HydrophobicContact CE3-CD1 3.89Å; W781-L784 HydrophobicContact CZ3-CD1 4.09Å; W781-L784 WeakPolarHBondContact O-CB 3.47Å; W781-L784 PolarHBondContact O-N 3.38Å; W781-R785 WeakPolarHBondContact O-CG 3.32Å; W781-R785 PolarHBondContact O-N 3.28Å
782	A	83.9	Confident	84.1	Confident	12 Å²	12	28.8 Å²	28.8	10%	0.099	17%	0.169	C	C	.	.	H	α-helix	trans	-60	-40.2	178.4	0	0	0	0	0	112.4	I776 S777 T779 G780 L784 R785 T786	I776-A782 HydrophobicContact CD1-CB 4.16Å; I776-A782 HydrophobicContact CG1-CB 4.11Å; S777-A782 WeakPolarHBondContact O-CB 3.06Å; T779-A782 PolarHBondContact O-N 3.26Å; T779-A782 VanDerWaalsContact O-N 3.13Å; T779-A782 WeakPolarHBondContact OG1-CB 3.08Å; T779-A782 PolarHBondContact OG1-N 2.83Å; G780-A782 PolarHBondContact O-N 2.76Å; A782-L784 VanDerWaalsContact C-N 3.29Å; A782-L784 PolarHBondContact O-N 2.93Å; A782-R785 WeakPolarHBondContact O-CA 3.37Å; A782-R785 WeakPolarHBondContact O-CB 3.38Å; A782-R785 PolarHBondContact O-N 2.83Å; A782-T786 PolarHBondContact O-N 3Å
783	L	84.3	Confident	84.6	Confident	3 Å²	3	28.7 Å²	28.7	2%	0.016	17%	0.169	C	C	.	.	H	α-helix	trans	-66.4	-28.6	175.3	-65.7	174.6	0	0	0	113.2	A695 L723 L755 I776 T779 G780 W781 R785 T786	A695-L783 HydrophobicContact CB-CB 3.7Å; L723-L783 HydrophobicContact CD2-CD1 4.22Å; L755-L783 HydrophobicContact CD2-CD1 3.67Å; I776-L783 HydrophobicContact CD1-CD2 4.06Å; T779-L783 PolarHBondContact O-N 3.19Å; G780-L783 PolarHBondContact O-N 2.78Å; W781-L783 VanDerWaalsContact C-N 3.32Å; W781-L783 PolarHBondContact O-N 3.33Å; L783-R785 VanDerWaalsContact C-N 3.34Å; L783-T786 PolarHBondContact O-OG1 3.27Å
784	L	91	Very high	85.2	Confident	9 Å²	9	25.7 Å²	25.7	5%	0.047	15%	0.153	C	C	.	.	H	α-helix	trans	-73.1	-29.4	169.9	-55.6	175.6	0	0	0	111.1	H673 P693 A695 L723 G780 W781 A782 I788	H673-L784 HydrophobicContact CB-CD2 4.36Å; H673-L784 VanDerWaalsContact CD2-CD2 3.44Å; H673-L784 WeakPolarHBondContact CD2-CD2 2.81Å; H673-L784 PolarHBondContact CE1-O 2.82Å; P693-L784 HydrophobicContact CB-CD1 4.05Å; P693-L784 HydrophobicContact CB-CD2 4.38Å; A695-L784 HydrophobicContact CB-CD2 4.01Å; L723-L784 HydrophobicContact CD1-CD1 3.95Å; L723-L784 HydrophobicContact CD1-CD2 3.76Å; L723-L784 HydrophobicContact CD1-CG 3.68Å; G780-L784 PolarHBondContact O-N 2.93Å; W781-L784 HydrophobicContact CE3-CD1 3.89Å; W781-L784 HydrophobicContact CZ3-CD1 4.09Å; W781-L784 WeakPolarHBondContact O-CB 3.47Å; W781-L784 PolarHBondContact O-N 3.38Å; A782-L784 VanDerWaalsContact C-N 3.29Å; A782-L784 PolarHBondContact O-N 2.93Å; L784-I788 WeakPolarHBondContact O-CG1 3.3Å; L784-I788 PolarHBondContact O-N 3.27Å
785	R	93.8	Very high	86.2	Confident	50 Å²	50	23.5 Å²	23.5	19%	0.189	13%	0.131	C	C	.	.	H	α-helix	trans	-74.3	-26.9	176.5	-61.1	-49.3	-156.1	158.8	22.6	113.8	W781 A782 L783 I788 Y789 P932 E933 R935 L936	W781-R785 WeakPolarHBondContact O-CG 3.32Å; W781-R785 PolarHBondContact O-N 3.28Å; A782-R785 WeakPolarHBondContact O-CA 3.37Å; A782-R785 WeakPolarHBondContact O-CB 3.38Å; A782-R785 PolarHBondContact O-N 2.83Å; L783-R785 VanDerWaalsContact C-N 3.34Å; R785-I788 PolarHBondContact O-N 3.06Å; R785-Y789 PolarHBondContact O-N 3.03Å; R785-P932 HydrophobicContact CB-CB 3.88Å; R785-P932 WeakPolarHBondContact CD-O 3.45Å; R785-P932 HydrophobicContact CG-CB 4.25Å; R785-P932 VanDerWaalsContact CG-O 3.24Å; R785-P932 WeakPolarHBondContact CG-O 3.27Å; R785-P932 PolarHBondContact NE-O 3.38Å; R785-E933 PolarHBondContact NH2-O 2.99Å; R785-R935 PolarHBondContact NH1-O 3.06Å; R785-R935 PolarHBondContact NH2-O 3.25Å; R785-R935 WeakPolarHBondContact O-CD 3.44Å; R785-R935 PolarHBondContact O-NH1 2.82Å; R785-L936 VanDerWaalsContact NH1-C 3.26Å; R785-L936 PolarHBondContact NH1-O 3.49Å
786	T	93.5	Very high	87.3	Confident	10 Å²	10	20.7 Å²	20.7	6%	0.061	10%	0.104	C	C	.	.	H	α-helix	trans	-68.7	-42.8	174.3	60.1	0	0	0	0	111	A768 E770 I771 I776 A782 L783 I788 Y789 S790	A768-T786 HydrophobicContact CB-CG2 4Å; E770-T786 HydrophobicContact CG-CG2 4.32Å; E770-T786 WeakPolarHBondContact OE1-CG2 3.48Å; I771-T786 HydrophobicContact CD1-CG2 3.94Å; I771-T786 HydrophobicContact CG1-CG2 3.63Å; I776-T786 HydrophobicContact CD1-CG2 3.83Å; A782-T786 PolarHBondContact O-N 3Å; L783-T786 PolarHBondContact O-OG1 3.27Å; T786-I788 VanDerWaalsContact C-N 3.27Å; T786-I788 PolarHBondContact O-N 3.39Å; T786-Y789 WeakPolarHBondContact O-CB 3.32Å; T786-Y789 PolarHBondContact O-N 2.99Å; T786-Y789 VanDerWaalsContact O-N 3.09Å; T786-S790 PolarHBondContact O-N 2.92Å; T786-S790 PolarHBondContact O-OG 3.33Å
787	D	95.6	Very high	88.5	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-55.5	-40.1	172.8	-77.5	-14.6	0	0	0	112.5	L669 H673 A695 H696 R697 L699 S790 L791	L669-D787 HydrophobicContact CD1-CB 4.27Å; L669-D787 HydrophobicContact CD2-CB 4.41Å; H673-D787 IonicContact CD2-OD2 2.99Å; H673-D787 IonicContact CE1-OD2 2.7Å; H673-D787 IonicContact NE2-OD2 3.56Å; H673-D787 PolarHBondContact NE2-OD2 2.91Å; A695-D787 WeakPolarHBondContact CA-OD2 3.48Å; H696-D787 PolarHBondContact N-OD1 2.77Å; H696-D787 PolarHBondContact N-OD2 2.74Å; R697-D787 PolarHBondContact N-OD1 3.45Å; L699-D787 HydrophobicContact CD1-CB 3.67Å; D787-S790 PolarHBondContact O-N 3.24Å; D787-L791 WeakPolarHBondContact O-CB 3.39Å; D787-L791 PolarHBondContact O-N 2.7Å
788	I	97.9	Very high	90	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-66.4	-37.5	177.7	-62.6	-66.4	0	0	0	111.7	L669 L784 R785 T786 L791 G792 C927 R935 L936 A938 I941	L669-I788 HydrophobicContact CD2-CD1 4.09Å; L784-I788 WeakPolarHBondContact O-CG1 3.3Å; L784-I788 PolarHBondContact O-N 3.27Å; R785-I788 PolarHBondContact O-N 3.06Å; T786-I788 VanDerWaalsContact C-N 3.27Å; T786-I788 PolarHBondContact O-N 3.39Å; I788-L791 HydrophobicContact CD1-CD2 4.39Å; I788-L791 WeakPolarHBondContact O-CB 3.19Å; I788-L791 PolarHBondContact O-N 2.7Å; I788-G792 PolarHBondContact O-N 3.06Å; I788-C927 HydrophobicContact CG2-CB 4.07Å; I788-R935 HydrophobicContact CG2-CB 4.1Å; I788-L936 WeakPolarHBondContact CG1-O 3.45Å; I788-L936 WeakPolarHBondContact CG2-O 3.35Å; I788-A938 HydrophobicContact CD1-CB 4.22Å; I788-I941 HydrophobicContact CD1-CD1 3.98Å; I788-I941 HydrophobicContact CG2-CD1 4.13Å
789	Y	98	Very high	91.5	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-62.9	-46.8	174.1	169.4	-81.3	0	0	0	110.7	Y766 Q767 A768 R785 T786 L791 G792 L793 Y880 V898 C927 W928	Y766-Y789 WeakPolarHBondContact O-CD1 3.25Å; Q767-Y789 VanDerWaalsContact C-CE1 3.45Å; Q767-Y789 WeakPolarHBondContact O-CE1 3.45Å; A768-Y789 HydrophobicContact CB-CD1 3.77Å; A768-Y789 HydrophobicContact CB-CD2 4.32Å; A768-Y789 HydrophobicContact CB-CE1 4.45Å; A768-Y789 HydrophobicContact CB-CG 3.71Å; R785-Y789 PolarHBondContact O-N 3.03Å; T786-Y789 WeakPolarHBondContact O-CB 3.32Å; T786-Y789 PolarHBondContact O-N 2.99Å; T786-Y789 VanDerWaalsContact O-N 3.09Å; Y789-L791 VanDerWaalsContact C-N 3.32Å; Y789-L791 PolarHBondContact O-N 2.69Å; Y789-G792 PolarHBondContact O-N 2.7Å; Y789-L793 HydrophobicContact CD1-CD1 4.24Å; Y789-L793 HydrophobicContact CE1-CD1 3.5Å; Y789-L793 VanDerWaalsContact CE1-CD1 3.5Å; Y789-L793 HydrophobicContact CE1-CG 4.29Å; Y789-L793 PolarHBondContact O-N 3.34Å; Y789-Y880 PolarHBondContact OH-OH 2.76Å; Y789-V898 VanDerWaalsContact OH-CG1 3.27Å; Y789-V898 WeakPolarHBondContact OH-CG1 3.29Å; Y789-C927 WeakPolarHBondContact CA-O 3.31Å; Y789-W928 HydrophobicContact CD2-CB 3.81Å; Y789-W928 HydrophobicContact CE2-CB 3.99Å
790	S	97.9	Very high	92.8	Very high	8 Å²	8	13 Å²	13	6%	0.056	6%	0.06	C	C	.	.	H	α-helix	trans	-60.9	-41.5	176.9	-50.1	0	0	0	0	111.6	Y766 T786 D787 G792 L793 I794	Y766-S790 PolarHBondContact O-OG 3.26Å; T786-S790 PolarHBondContact O-N 2.92Å; T786-S790 PolarHBondContact O-OG 3.33Å; D787-S790 PolarHBondContact O-N 3.24Å; S790-G792 VanDerWaalsContact C-N 3.32Å; S790-G792 PolarHBondContact O-N 2.72Å; S790-L793 PolarHBondContact O-N 2.86Å; S790-I794 WeakPolarHBondContact O-CG1 3.39Å; S790-I794 PolarHBondContact O-N 3.34Å; S790-I794 VanDerWaalsContact O-N 3.11Å
791	L	98.5	Very high	94	Very high	1 Å²	1	13 Å²	13	1%	0.005	6%	0.059	C	C	.	.	H	α-helix	trans	-57.8	-41.3	172	172.6	66.4	0	0	0	111.9	I665 V666 L669 D787 I788 Y789 L793 I794 L795 I941	I665-L791 HydrophobicContact CG2-CD1 3.63Å; V666-L791 HydrophobicContact CG2-CD1 4.05Å; V666-L791 HydrophobicContact CG2-CD2 3.84Å; L669-L791 HydrophobicContact CD2-CB 4.29Å; L669-L791 HydrophobicContact CD2-CD2 3.86Å; D787-L791 WeakPolarHBondContact O-CB 3.39Å; D787-L791 PolarHBondContact O-N 2.7Å; I788-L791 HydrophobicContact CD1-CD2 4.39Å; I788-L791 WeakPolarHBondContact O-CB 3.19Å; I788-L791 PolarHBondContact O-N 2.7Å; Y789-L791 VanDerWaalsContact C-N 3.32Å; Y789-L791 PolarHBondContact O-N 2.69Å; L791-L793 VanDerWaalsContact C-N 3.31Å; L791-L793 PolarHBondContact O-N 2.9Å; L791-I794 PolarHBondContact O-N 3.44Å; L791-L795 HydrophobicContact CD1-CD1 4.12Å; L791-L795 HydrophobicContact CD1-CD2 4.19Å; L791-L795 HydrophobicContact CD1-CG 3.88Å; L791-L795 HydrophobicContact CG-CD1 3.97Å; L791-L795 HydrophobicContact CG-CG 4.17Å; L791-L795 VanDerWaalsContact O-CG 3.29Å; L791-L795 WeakPolarHBondContact O-CG 3.38Å; L791-L795 PolarHBondContact O-N 3.4Å; L791-I941 HydrophobicContact CD2-CD1 3.66Å
792	G	98.3	Very high	94.8	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-55.4	-45.1	176	0	0	0	0	0	112.6	I788 Y789 S790 L795 W796 I924	I788-G792 PolarHBondContact O-N 3.06Å; Y789-G792 PolarHBondContact O-N 2.7Å; S790-G792 VanDerWaalsContact C-N 3.32Å; S790-G792 PolarHBondContact O-N 2.72Å; G792-L795 PolarHBondContact O-N 2.62Å; G792-W796 PolarHBondContact O-N 2.73Å; G792-W796 VanDerWaalsContact O-N 3.09Å; G792-I924 WeakPolarHBondContact O-CG2 3.39Å
793	L	98	Very high	94.8	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-65.2	-43.1	176.7	-61	170.9	0	0	0	111.9	R765 Y766 Y789 S790 L791 L795 W796 E797 P879 Y880 P905 W928	R765-L793 WeakPolarHBondContact O-CD1 3.36Å; Y766-L793 HydrophobicContact CD1-CB 4.04Å; Y766-L793 HydrophobicContact CD1-CD1 4.14Å; Y766-L793 HydrophobicContact CE1-CB 4.19Å; Y789-L793 HydrophobicContact CD1-CD1 4.24Å; Y789-L793 HydrophobicContact CE1-CD1 3.5Å; Y789-L793 VanDerWaalsContact CE1-CD1 3.5Å; Y789-L793 HydrophobicContact CE1-CG 4.29Å; Y789-L793 PolarHBondContact O-N 3.34Å; S790-L793 PolarHBondContact O-N 2.86Å; L791-L793 VanDerWaalsContact C-N 3.31Å; L791-L793 PolarHBondContact O-N 2.9Å; L793-L795 VanDerWaalsContact C-N 3.35Å; L793-L795 PolarHBondContact O-N 3.23Å; L793-W796 WeakPolarHBondContact O-CB 3.43Å; L793-W796 PolarHBondContact O-N 3.02Å; L793-W796 VanDerWaalsContact O-N 3.14Å; L793-E797 PolarHBondContact O-N 2.89Å; L793-P879 HydrophobicContact CB-CB 4.47Å; L793-P879 HydrophobicContact CB-CG 4.12Å; L793-P879 HydrophobicContact CD2-CB 4.12Å; L793-Y880 HydrophobicContact CD1-CE2 4.2Å; L793-Y880 HydrophobicContact CD2-CE2 3.94Å; L793-P905 HydrophobicContact CD2-CG 3.96Å; L793-W928 HydrophobicContact CD2-CE3 3.7Å; L793-W928 HydrophobicContact CD2-CZ3 3.97Å; L793-W928 HydrophobicContact CG-CE3 4.33Å
794	I	98.3	Very high	94.5	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-60.6	-42.2	176	-66.6	158	0	0	0	111.7	L643 I665 L699 P701 I704 Y766 S790 L791 W796 E797 L798	L643-I794 HydrophobicContact CD2-CG2 3.95Å; I665-I794 HydrophobicContact CD1-CG2 4.32Å; L699-I794 HydrophobicContact CB-CD1 4.14Å; P701-I794 HydrophobicContact CG-CG1 4.19Å; I704-I794 HydrophobicContact CD1-CD1 3.82Å; I704-I794 HydrophobicContact CD1-CG2 3.94Å; Y766-I794 HydrophobicContact CD1-CG1 4.47Å; Y766-I794 HydrophobicContact CE1-CG1 4.28Å; S790-I794 WeakPolarHBondContact O-CG1 3.39Å; S790-I794 PolarHBondContact O-N 3.34Å; S790-I794 VanDerWaalsContact O-N 3.11Å; L791-I794 PolarHBondContact O-N 3.44Å; I794-W796 VanDerWaalsContact C-N 3.29Å; I794-W796 PolarHBondContact O-N 3Å; I794-E797 PolarHBondContact O-N 2.77Å; I794-L798 HydrophobicContact CG2-CD1 4.45Å; I794-L798 PolarHBondContact O-N 3.19Å
795	L	98.2	Very high	92.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-67.2	-29.7	177.3	-67.1	177.7	0	0	0	112	S662 L791 G792 L793 L798 L799 F920 I924 I941	S662-L795 WeakPolarHBondContact OG-CD2 3.12Å; L791-L795 HydrophobicContact CD1-CD1 4.12Å; L791-L795 HydrophobicContact CD1-CD2 4.19Å; L791-L795 HydrophobicContact CD1-CG 3.88Å; L791-L795 HydrophobicContact CG-CD1 3.97Å; L791-L795 HydrophobicContact CG-CG 4.17Å; L791-L795 VanDerWaalsContact O-CG 3.29Å; L791-L795 WeakPolarHBondContact O-CG 3.38Å; L791-L795 PolarHBondContact O-N 3.4Å; G792-L795 PolarHBondContact O-N 2.62Å; L793-L795 VanDerWaalsContact C-N 3.35Å; L793-L795 PolarHBondContact O-N 3.23Å; L795-L798 HydrophobicContact CD2-CD1 4.24Å; L795-L799 PolarHBondContact O-N 2.85Å; L795-L799 VanDerWaalsContact O-N 3.12Å; L795-F920 HydrophobicContact CB-CZ 4.35Å; L795-F920 HydrophobicContact CD2-CZ 4.07Å; L795-I924 HydrophobicContact CB-CD1 3.94Å; L795-I924 HydrophobicContact CB-CG1 3.7Å; L795-I924 WeakPolarHBondContact O-CD1 3.44Å; L795-I941 HydrophobicContact CD1-CG2 4.33Å
796	W	97.6	Very high	90.9	Very high	17 Å²	17	19.3 Å²	19.3	6%	0.064	11%	0.113	C	C	.	.	H	α-helix	trans	-71.4	-42	171.1	175.3	90.1	0	0	0	112.4	G792 L793 I794 L798 L799 T800 P879 P905 A906 W911 I924 W928	G792-W796 PolarHBondContact O-N 2.73Å; G792-W796 VanDerWaalsContact O-N 3.09Å; L793-W796 WeakPolarHBondContact O-CB 3.43Å; L793-W796 PolarHBondContact O-N 3.02Å; L793-W796 VanDerWaalsContact O-N 3.14Å; I794-W796 VanDerWaalsContact C-N 3.29Å; I794-W796 PolarHBondContact O-N 3Å; W796-L798 VanDerWaalsContact C-N 3.28Å; W796-L798 PolarHBondContact O-N 3.21Å; W796-L799 CarbonylContact O-C 3.56Å; W796-L799 WeakPolarHBondContact O-CA 3.49Å; W796-L799 WeakPolarHBondContact O-CB 3.2Å; W796-L799 PolarHBondContact O-N 3.29Å; W796-T800 HydrophobicContact CD2-CG2 3.96Å; W796-T800 HydrophobicContact CE3-CG2 4.18Å; W796-T800 HydrophobicContact CH2-CG2 3.86Å; W796-T800 HydrophobicContact CZ2-CG2 3.61Å; W796-T800 HydrophobicContact CZ3-CG2 4.13Å; W796-T800 PolarHBondContact O-N 2.97Å; W796-P879 HydrophobicContact CE3-CG 4.3Å; W796-P879 HydrophobicContact CZ3-CB 4.48Å; W796-P879 HydrophobicContact CZ3-CG 4.26Å; W796-P905 HydrophobicContact CD2-CB 3.71Å; W796-P905 HydrophobicContact CD2-CG 4.46Å; W796-P905 HydrophobicContact CE3-CB 4.09Å; W796-P905 HydrophobicContact CG-CB 4.3Å; W796-P905 HydrophobicContact CH2-CB 3.9Å; W796-P905 HydrophobicContact CZ2-CB 3.49Å; W796-P905 VanDerWaalsContact CZ2-CB 3.49Å; W796-P905 HydrophobicContact CZ3-CB 4.19Å; W796-P905 PolarHBondContact NE1-O 3.25Å; W796-A906 PolarHBondContact NE1-O 3.44Å; W796-W911 AromaticContact CD1-CH2 3.92Å; W796-W911 AromaticContact CD1-CZ3 3.93Å; W796-W911 AromaticContact NE1-CH2 3.81Å; W796-I924 HydrophobicContact CB-CD1 4.49Å; W796-I924 HydrophobicContact CB-CG2 4.18Å; W796-W928 HydrophobicContact CB-CH2 3.84Å; W796-W928 HydrophobicContact CB-CZ3 3.51Å; W796-W928 AromaticContact CD1-CH2 3.64Å; W796-W928 AromaticContact CG-CH2 3.82Å; W796-W928 HydrophobicContact CG-CH2 3.82Å; W796-W928 AromaticContact CG-CZ3 3.88Å; W796-W928 HydrophobicContact CG-CZ3 3.88Å
797	E	96.2	Very high	88	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.9	-36.6	174.3	-68	175.5	-80	0	0	112.2	R644 L647 P701 Y766 L793 I794 L799 T800 A801 H876 P879	R644-E797 IonicContact CZ-OE2 2.77Å; R644-E797 IonicContact NH1-OE2 3.64Å; R644-E797 PolarHBondContact NH1-OE2 2.92Å; R644-E797 IonicContact NH2-OE2 3.86Å; L647-E797 HydrophobicContact CD1-CB 3.98Å; P701-E797 WeakPolarHBondContact CG-OE1 3.11Å; Y766-E797 WeakPolarHBondContact CE1-OE1 3.43Å; Y766-E797 PolarHBondContact OH-OE1 3.37Å; Y766-E797 VanDerWaalsContact OH-OE1 3.04Å; Y766-E797 PolarHBondContact OH-OE2 3.49Å; Y766-E797 VanDerWaalsContact OH-OE2 3.04Å; L793-E797 PolarHBondContact O-N 2.89Å; I794-E797 PolarHBondContact O-N 2.77Å; E797-L799 VanDerWaalsContact C-N 3.3Å; E797-L799 PolarHBondContact O-N 3.17Å; E797-T800 PolarHBondContact O-OG1 2.94Å; E797-A801 PolarHBondContact O-N 3.29Å; E797-H876 IonicContact OE2-NE2 3.55Å; E797-P879 VanDerWaalsContact CD-CD 3.46Å; E797-P879 HydrophobicContact CG-CG 3.74Å; E797-P879 WeakPolarHBondContact OE2-CD 3.28Å
798	L	96.3	Very high	85.2	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.3	-38.3	168.9	-78.8	165	0	0	0	111.9	L643 L647 L653 I658 I661 I665 I794 L795 W796 A801	L643-L798 HydrophobicContact CD1-CD2 3.89Å; L643-L798 HydrophobicContact CD2-CD1 4.38Å; L643-L798 HydrophobicContact CD2-CD2 4.39Å; L643-L798 HydrophobicContact CD2-CG 4.38Å; L647-L798 HydrophobicContact CD2-CD2 4.4Å; L653-L798 HydrophobicContact CD1-CD2 4.29Å; I658-L798 WeakPolarHBondContact CD1-O 3.47Å; I658-L798 WeakPolarHBondContact CG1-O 3.1Å; I658-L798 HydrophobicContact CG2-CB 4.2Å; I661-L798 HydrophobicContact CB-CD2 4.31Å; I661-L798 HydrophobicContact CD1-CD2 4.2Å; I661-L798 HydrophobicContact CG2-CD1 3.89Å; I661-L798 HydrophobicContact CG2-CD2 3.8Å; I665-L798 HydrophobicContact CD1-CD1 4.07Å; I794-L798 HydrophobicContact CG2-CD1 4.45Å; I794-L798 PolarHBondContact O-N 3.19Å; L795-L798 HydrophobicContact CD2-CD1 4.24Å; W796-L798 VanDerWaalsContact C-N 3.28Å; W796-L798 PolarHBondContact O-N 3.21Å; L798-A801 WeakPolarHBondContact O-CB 3.36Å; L798-A801 PolarHBondContact O-N 3.44Å
799	L	95.1	Very high	82	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-74.9	-29.9	-179.6	-156.3	59.8	0	0	0	113.2	F655 L795 W796 E797 A801 V802 W911 I917 F920 Y921 I924	F655-L799 HydrophobicContact CD2-CD1 4.31Å; F655-L799 HydrophobicContact CE2-CD1 4.09Å; L795-L799 PolarHBondContact O-N 2.85Å; L795-L799 VanDerWaalsContact O-N 3.12Å; W796-L799 CarbonylContact O-C 3.56Å; W796-L799 WeakPolarHBondContact O-CA 3.49Å; W796-L799 WeakPolarHBondContact O-CB 3.2Å; W796-L799 PolarHBondContact O-N 3.29Å; E797-L799 VanDerWaalsContact C-N 3.3Å; E797-L799 PolarHBondContact O-N 3.17Å; L799-A801 PolarHBondContact O-N 2.69Å; L799-V802 HydrophobicContact CD1-CB 4.35Å; L799-V802 HydrophobicContact CD1-CG1 4.45Å; L799-V802 VanDerWaalsContact O-CB 3.31Å; L799-V802 WeakPolarHBondContact O-CB 3.14Å; L799-V802 WeakPolarHBondContact O-CG1 3.18Å; L799-V802 PolarHBondContact O-N 2.78Å; L799-V802 VanDerWaalsContact O-N 3.08Å; L799-W911 HydrophobicContact CB-CH2 4Å; L799-W911 HydrophobicContact CB-CZ2 4.21Å; L799-W911 HydrophobicContact CB-CZ3 4.33Å; L799-W911 HydrophobicContact CD2-CD2 3.97Å; L799-W911 HydrophobicContact CD2-CE3 3.55Å; L799-W911 HydrophobicContact CD2-CH2 4.09Å; L799-W911 HydrophobicContact CD2-CZ2 4.45Å; L799-W911 HydrophobicContact CD2-CZ3 3.59Å; L799-W911 HydrophobicContact CG-CD2 4.1Å; L799-W911 HydrophobicContact CG-CE3 4.09Å; L799-W911 HydrophobicContact CG-CH2 3.99Å; L799-W911 HydrophobicContact CG-CZ2 3.99Å; L799-W911 HydrophobicContact CG-CZ3 4.01Å; L799-W911 WeakPolarHBondContact O-CZ2 3.19Å; L799-I917 HydrophobicContact CD1-CG2 4.03Å; L799-I917 HydrophobicContact CD2-CG2 4.27Å; L799-I917 HydrophobicContact CG-CG2 4.44Å; L799-F920 HydrophobicContact CB-CE1 4.4Å; L799-F920 HydrophobicContact CD1-CD1 3.62Å; L799-F920 HydrophobicContact CD1-CE1 3.92Å; L799-F920 HydrophobicContact CD2-CD1 3.94Å; L799-F920 HydrophobicContact CD2-CE1 4.47Å; L799-F920 HydrophobicContact CG-CD1 4.28Å; L799-Y921 HydrophobicContact CD2-CD2 4.17Å; L799-I924 HydrophobicContact CB-CD1 4.37Å; L799-I924 HydrophobicContact CD2-CD1 3.92Å
800	T	93.2	Very high	78.8	Confident	38 Å²	38	41.6 Å²	41.6	23%	0.233	22%	0.222	C	C	.	.	H	α-helix	trans	-67.7	-17.5	170.4	63.2	0	0	0	0	112.9	W796 E797 W911	W796-T800 HydrophobicContact CD2-CG2 3.96Å; W796-T800 HydrophobicContact CE3-CG2 4.18Å; W796-T800 HydrophobicContact CH2-CG2 3.86Å; W796-T800 HydrophobicContact CZ2-CG2 3.61Å; W796-T800 HydrophobicContact CZ3-CG2 4.13Å; W796-T800 PolarHBondContact O-N 2.97Å; E797-T800 PolarHBondContact O-OG1 2.94Å; T800-W911 HydrophobicContact CG2-CH2 3.93Å; T800-W911 HydrophobicContact CG2-CZ2 4.1Å
801	A	92.2	Very high	75.9	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-0.9	170.1	0	0	0	0	0	114.6	L647 L653 E797 L798 L799 L803 R874	L647-A801 HydrophobicContact CD2-CB 3.89Å; L653-A801 HydrophobicContact CB-CB 4.47Å; L653-A801 HydrophobicContact CD1-CB 4.05Å; L653-A801 HydrophobicContact CG-CB 4.16Å; L653-A801 PolarHBondContact N-O 3.27Å; E797-A801 PolarHBondContact O-N 3.29Å; L798-A801 WeakPolarHBondContact O-CB 3.36Å; L798-A801 PolarHBondContact O-N 3.44Å; L799-A801 PolarHBondContact O-N 2.69Å; A801-L803 PolarHBondContact O-N 3.49Å; A801-R874 VanDerWaalsContact CB-CZ 3.49Å
802	V	92.1	Very high	72.9	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.018	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	122.3	-172.8	74.4	0	0	0	0	113	L653 F655 I658 L799 L804 I917	L653-V802 CarbonylContact O-C 3.45Å; L653-V802 WeakPolarHBondContact O-CA 3.41Å; F655-V802 HydrophobicContact CB-CG2 4.03Å; F655-V802 HydrophobicContact CD2-CG2 4.22Å; I658-V802 HydrophobicContact CD1-CB 3.54Å; I658-V802 HydrophobicContact CD1-CG2 3.74Å; L799-V802 HydrophobicContact CD1-CB 4.35Å; L799-V802 HydrophobicContact CD1-CG1 4.45Å; L799-V802 VanDerWaalsContact O-CB 3.31Å; L799-V802 WeakPolarHBondContact O-CB 3.14Å; L799-V802 WeakPolarHBondContact O-CG1 3.18Å; L799-V802 PolarHBondContact O-N 2.78Å; L799-V802 VanDerWaalsContact O-N 3.08Å; V802-L804 HydrophobicContact CG1-CD2 3.81Å; V802-L804 HydrophobicContact CG1-CG 4.08Å; V802-L804 HydrophobicContact CG2-CD2 4.41Å; V802-L804 PolarHBondContact O-N 2.93Å; V802-I917 HydrophobicContact CG2-CD1 4.24Å
803	L	85.5	Confident	69.8	Low	77 Å²	77	57.9 Å²	57.9	40%	0.403	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	109.9	162.5	-172.6	63.3	0	0	0	108.3	W652 L653 A801 M871	W652-L803 HydrophobicContact CB-CB 3.98Å; W652-L803 HydrophobicContact CB-CD1 4.11Å; W652-L803 HydrophobicContact CG-CD1 4.23Å; L653-L803 PolarHBondContact O-N 3.42Å; A801-L803 PolarHBondContact O-N 3.49Å; L803-M871 HydrophobicContact CD1-CE 4.12Å; L803-M871 HydrophobicContact CD1-SD 4.46Å
804	L	76.6	Confident	66.6	Low	40 Å²	40	61.5 Å²	61.5	21%	0.209	35%	0.347	C	S	.	.			trans	-82.2	142.1	169.9	-61.6	174.7	0	0	0	109.4	V802 V806 S910 I917	V802-L804 HydrophobicContact CG1-CD2 3.81Å; V802-L804 HydrophobicContact CG1-CG 4.08Å; V802-L804 HydrophobicContact CG2-CD2 4.41Å; V802-L804 PolarHBondContact O-N 2.93Å; L804-V806 PolarHBondContact O-N 3.5Å; L804-S910 WeakPolarHBondContact CD1-OG 3.23Å; L804-I917 HydrophobicContact CD2-CD1 3.4Å
805	P	57.3	Low	63.5	Low	121 Å²	121	68.8 Å²	68.8	79%	0.786	39%	0.386	S	S	*	.			trans	-62.6	105.2	161.1	-11.2	26.6	0	0	0	107.4
806	V	52.3	Low	60.3	Low	88 Å²	88	75.9 Å²	75.9	53%	0.533	41%	0.414	S	S	.	.			trans	-75.9	138.5	153.8	-179.9	0	0	0	0	105.4	L804 H808	L804-V806 PolarHBondContact O-N 3.5Å; V806-H808 PolarHBondContact O-N 2.74Å
807	D	33.6	Very low	57.1	Low	109 Å²	109	82 Å²	82	58%	0.583	44%	0.443	S	S	*	.			trans	-57.3	103	176.8	-56.1	-50.1	0	0	0	108.7	E809 N810 A811	D807-E809 PolarHBondContact O-N 2.87Å; D807-E809 VanDerWaalsContact O-N 3.11Å; D807-N810 HydrophobicContact CB-CB 4.11Å; D807-N810 PolarHBondContact O-N 3.33Å; D807-A811 PolarHBondContact O-N 3.46Å
808	H	35.2	Very low	54.3	Low	148 Å²	148	86.8 Å²	86.8	69%	0.685	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.8	-172	-98.2	-78.6	0	0	0	112.6	V806	V806-H808 PolarHBondContact O-N 2.74Å
809	E	30.6	Very low	51.2	Low	165 Å²	165	94 Å²	94	77%	0.771	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-41.1	172	-59.7	-177	153.2	0	0	111.2	D807	D807-E809 PolarHBondContact O-N 2.87Å; D807-E809 VanDerWaalsContact O-N 3.11Å
810	N	31.5	Very low	48.1	Very low	57 Å²	57	99.9 Å²	99.9	31%	0.305	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-78.2	-25.4	-179.6	-68.7	-22.7	0	0	0	113	D807 L812 E813 Y816	D807-N810 HydrophobicContact CB-CB 4.11Å; D807-N810 PolarHBondContact O-N 3.33Å; N810-L812 PolarHBondContact O-N 3.29Å; N810-E813 PolarHBondContact O-N 2.91Å; N810-Y816 HydrophobicContact CB-CD2 4.27Å; N810-Y816 HydrophobicContact CB-CE2 3.6Å; N810-Y816 VanDerWaalsContact O-CD2 3.31Å; N810-Y816 WeakPolarHBondContact O-CD2 3.09Å; N810-Y816 WeakPolarHBondContact O-CE2 3.49Å
811	A	36.4	Very low	45.4	Very low	48 Å²	48	103.1 Å²	103.1	40%	0.397	55%	0.552	S	S	.	*	G	3₁₀ helix	trans	-72.7	-9	177.4	0	0	0	0	0	114.3	D807	D807-A811 PolarHBondContact O-N 3.46Å
812	L	35.6	Very low	42.4	Very low	156 Å²	156	106.5 Å²	106.5	82%	0.817	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-93.9	-22	173.3	-71.3	164.9	0	0	0	112.4	N810	N810-L812 PolarHBondContact O-N 3.29Å
813	E	34.7	Very low	39.8	Very low	147 Å²	147	110.3 Å²	110.3	69%	0.687	59%	0.587	S	S	*	*	S	Bend	trans	-98.4	89.4	177.6	-69.2	-165.4	153.1	0	0	112.4	N810 D815	N810-E813 PolarHBondContact O-N 2.91Å; E813-D815 PolarHBondContact O-N 3.43Å
814	G	30.9	Very low	36.9	Very low	77 Å²	77	115.5 Å²	115.5	79%	0.794	61%	0.606	S	S	*	*	S	Bend	trans	68.5	-66.5	143	0	0	0	0	0	120
815	D	31.3	Very low	34.6	Very low	154 Å²	154	121.3 Å²	121.3	82%	0.824	64%	0.636	S	S	*	*			trans	-123.6	13.6	-139.8	-76.6	-29.7	0	0	0	116.1	E813	E813-D815 PolarHBondContact O-N 3.43Å
816	Y	32.5	Very low	33.2	Very low	148 Å²	148	121.9 Å²	121.9	58%	0.58	63%	0.632	S	S	*	*			trans	-91.3	108.6	173.3	-58.5	-81	0	0	0	111.3	N810 T818	N810-Y816 HydrophobicContact CB-CD2 4.27Å; N810-Y816 HydrophobicContact CB-CE2 3.6Å; N810-Y816 VanDerWaalsContact O-CD2 3.31Å; N810-Y816 WeakPolarHBondContact O-CD2 3.09Å; N810-Y816 WeakPolarHBondContact O-CE2 3.49Å; Y816-T818 VanDerWaalsContact C-N 3.34Å; Y816-T818 PolarHBondContact O-N 2.89Å
817	E	29.3	Very low	32.2	Very low	145 Å²	145	124.8 Å²	124.8	68%	0.678	64%	0.644	S	S	*	*			trans	-57.1	92.1	170.8	-70.8	-172.2	154.4	0	0	111.3	H819	E817-H819 HydrophobicContact CB-CB 4.49Å; E817-H819 PolarHBondContact O-N 3Å
818	T	38.3	Very low	31.9	Very low	101 Å²	101	125.1 Å²	125.1	62%	0.62	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-64.5	0.3	169.6	46.7	0	0	0	0	113	Y816 N820	Y816-T818 VanDerWaalsContact C-N 3.34Å; Y816-T818 PolarHBondContact O-N 2.89Å; T818-N820 PolarHBondContact O-N 3.33Å
819	H	31.6	Very low	31.7	Very low	151 Å²	151	123.4 Å²	123.4	70%	0.699	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-68.4	-5	176.2	-60.4	-25.8	0	0	0	115.3	E817	E817-H819 HydrophobicContact CB-CB 4.49Å; E817-H819 PolarHBondContact O-N 3Å
820	N	30.3	Very low	31.7	Very low	125 Å²	125	119.5 Å²	119.5	67%	0.668	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-100.4	3.2	177.5	-89.2	-50.9	0	0	0	115.4	T818	T818-N820 PolarHBondContact O-N 3.33Å
821	I	36.1	Very low	31.6	Very low	106 Å²	106	124.5 Å²	124.5	54%	0.544	68%	0.68	S	S	.	*	S	Bend	trans	-96.5	-18.3	-179.5	-63.7	173.7	0	0	0	112.5
822	D	29.4	Very low	31.4	Very low	71 Å²	71	127.2 Å²	127.2	38%	0.38	70%	0.702	S	S	.	*	S	Bend	trans	-86.2	133.7	163.7	-71.7	-75	0	0	0	110.3	K824 K872	D822-K824 PolarHBondContact O-N 3.22Å; D822-K872 WeakPolarHBondContact OD1-CE 3.49Å; D822-K872 IonicContact OD1-NZ 3.25Å; D822-K872 PolarHBondContact OD1-NZ 2.71Å; D822-K872 WeakPolarHBondContact OD2-CD 3.11Å; D822-K872 WeakPolarHBondContact OD2-CE 3.2Å; D822-K872 IonicContact OD2-NZ 3.51Å; D822-K872 PolarHBondContact OD2-NZ 2.75Å
823	F	37.1	Very low	31.2	Very low	82 Å²	82	125.2 Å²	125.2	36%	0.36	70%	0.702	S	S	.	*			trans	-63.1	125.5	169.9	-74.9	-142.9	0	0	0	107.4	L825 W877 K882	F823-L825 PolarHBondContact O-N 3.5Å; F823-W877 HydrophobicContact CB-CZ2 3.73Å; F823-W877 HydrophobicContact CD1-CD2 4.09Å; F823-W877 AromaticContact CD1-CE2 3.27Å; F823-W877 HydrophobicContact CD1-CH2 4.25Å; F823-W877 AromaticContact CD1-CZ2 3.38Å; F823-W877 HydrophobicContact CD1-CZ2 3.38Å; F823-W877 AromaticContact CD1-NE1 3.27Å; F823-W877 VanDerWaalsContact CD1-NE1 3.27Å; F823-W877 AromaticContact CD2-NE1 3.51Å; F823-W877 AromaticContact CE1-CD1 3.55Å; F823-W877 AromaticContact CE1-CD2 3.87Å; F823-W877 HydrophobicContact CE1-CD2 3.87Å; F823-W877 AromaticContact CE1-CE2 3.46Å; F823-W877 VanDerWaalsContact CE1-CE2 3.46Å; F823-W877 AromaticContact CE1-CG 3.94Å; F823-W877 HydrophobicContact CE1-CG 3.94Å; F823-W877 HydrophobicContact CE1-CZ2 4.05Å; F823-W877 AromaticContact CE1-NE1 3.22Å; F823-W877 AromaticContact CE2-CD1 3.81Å; F823-W877 AromaticContact CE2-NE1 3.5Å; F823-W877 AromaticContact CG-CE2 3.71Å; F823-W877 AromaticContact CG-CZ2 3.73Å; F823-W877 HydrophobicContact CG-CZ2 3.73Å; F823-W877 AromaticContact CG-NE1 3.41Å; F823-W877 AromaticContact CZ-CD1 3.41Å; F823-W877 VanDerWaalsContact CZ-CD1 3.41Å; F823-W877 HydrophobicContact CZ-CG 4.14Å; F823-W877 AromaticContact CZ-NE1 3.36Å; F823-K882 HydrophobicContact CD1-CD 4Å; F823-K882 HydrophobicContact CD1-CG 3.95Å; F823-K882 HydrophobicContact CE1-CB 4.16Å; F823-K882 HydrophobicContact CE1-CD 3.43Å; F823-K882 VanDerWaalsContact CE1-CD 3.43Å; F823-K882 VanDerWaalsContact CE1-CE 3.43Å; F823-K882 HydrophobicContact CE1-CG 3.68Å; F823-K882 HydrophobicContact CZ-CD 4.37Å
824	K	25.2	Very low	31.3	Very low	186 Å²	186	123.7 Å²	123.7	81%	0.809	70%	0.704	S	S	*	*			trans	-42	98.5	179.5	-81.8	-175.9	170.5	-178.2	0	112.6	D822 I826	D822-K824 PolarHBondContact O-N 3.22Å; K824-I826 HydrophobicContact CB-CG1 4.25Å; K824-I826 PolarHBondContact O-N 2.88Å
825	L	27.1	Very low	31.3	Very low	162 Å²	162	125 Å²	125	85%	0.848	70%	0.701	S	S	*	*			trans	-75.2	108.8	146.3	-83.3	161.6	0	0	0	105.3	F823 D827	F823-L825 PolarHBondContact O-N 3.5Å; L825-D827 VanDerWaalsContact C-N 3.35Å; L825-D827 PolarHBondContact O-N 3.48Å; L825-D827 VanDerWaalsContact O-N 3.13Å
826	I	29	Very low	31.2	Very low	133 Å²	133	125.7 Å²	125.7	68%	0.682	70%	0.703	S	S	*	*			trans	-79.5	91.5	175	-60	173.7	0	0	0	106.6	K824	K824-I826 HydrophobicContact CB-CG1 4.25Å; K824-I826 PolarHBondContact O-N 2.88Å
827	D	31.1	Very low	31.1	Very low	149 Å²	149	121.9 Å²	121.9	80%	0.797	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-74.5	139.5	154.3	-69.8	-40.7	0	0	0	108.6	L825	L825-D827 VanDerWaalsContact C-N 3.35Å; L825-D827 PolarHBondContact O-N 3.48Å; L825-D827 VanDerWaalsContact O-N 3.13Å
828	S	25.8	Very low	31.2	Very low	116 Å²	116	119.8 Å²	119.8	81%	0.811	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-60.5	142.3	-158.4	-54.9	0	0	0	0	116.4
829	P	32.8	Very low	30.8	Very low	112 Å²	112	122 Å²	122	73%	0.727	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-96	132.3	145.4	32.9	-25.4	0	0	0	110.7
830	A	29.8	Very low	30.7	Very low	83 Å²	83	121.6 Å²	121.6	69%	0.686	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-67.1	163.7	167.8	0	0	0	0	0	111.8
831	N	29.7	Very low	30.6	Very low	162 Å²	162	120.6 Å²	120.6	87%	0.866	72%	0.722	S	S	*	*			trans	73.3	89.9	165.8	-53	-28.3	0	0	0	118.2
832	A	32.2	Very low	30.1	Very low	106 Å²	106	122.1 Å²	122.1	88%	0.876	73%	0.731	S	S	*	*				-177	107.3	125.3	0	0	0	0	0	111.7
833	S	30.4	Very low	30	Very low	114 Å²	114	125.7 Å²	125.7	80%	0.797	75%	0.747	S	S	*	*			trans	-97.5	175	167.9	35.4	0	0	0	0	110.6
834	P	36.6	Very low	29.7	Very low	114 Å²	114	128.9 Å²	128.9	74%	0.74	77%	0.768	S	S	*	*			cis	-132.6	177.1	-21.8	33.6	-16.1	0	0	0	113.3
835	S	30.8	Very low	29.9	Very low	104 Å²	104	123.3 Å²	123.3	73%	0.727	76%	0.763	S	S	*	*				173.2	132.7	118.5	44.1	0	0	0	0	116.4
836	I	30.4	Very low	30	Very low	169 Å²	169	123.5 Å²	123.5	87%	0.867	76%	0.764	S	S	*	*			trans	76	107.6	148.7	-59.6	156.6	0	0	0	120.2
837	G	29.4	Very low	30	Very low	68 Å²	68	124.8 Å²	124.8	70%	0.701	77%	0.767	S	S	*	*			trans	86.2	128.4	138.5	0	0	0	0	0	118
838	S	32.7	Very low	30	Very low	102 Å²	102	122.9 Å²	122.9	71%	0.713	76%	0.763	S	S	*	*			cis	-162.4	145.7	-6.8	-16.7	0	0	0	0	108.6
839	D	30.2	Very low	30.3	Very low	146 Å²	146	126.5 Å²	126.5	78%	0.781	77%	0.767	S	S	*	*			trans	63	137.2	153.2	-53	-22.6	0	0	0	119
840	L	27.5	Very low	30.1	Very low	143 Å²	143	129.7 Å²	129.7	75%	0.749	77%	0.77	S	S	*	*			cis	-158.8	149	3.8	-149.4	78.3	0	0	0	111.1
841	C	28.5	Very low	30.3	Very low	104 Å²	104	133.4 Å²	133.4	70%	0.703	78%	0.778	S	S	*	*			trans	64.8	142.3	158.7	-67.5	0	0	0	0	121.8
842	L	26.9	Very low	30.4	Very low	138 Å²	138	131.7 Å²	131.7	72%	0.723	77%	0.768	S	S	*	*			cis	-179.9	152.5	-40.9	-110.4	167.2	0	0	0	109.4
843	M	27.4	Very low	30.2	Very low	147 Å²	147	133.9 Å²	133.9	72%	0.724	76%	0.764	S	S	*	*			trans	66.4	123.8	155.5	-59.8	-109.8	176.7	0	0	117.3
844	N	30.7	Very low	30.3	Very low	148 Å²	148	134 Å²	134	79%	0.791	76%	0.756	S	S	*	*			cis	-175.6	166.3	23.5	-93.1	-26.3	0	0	0	109
845	G	29.3	Very low	30	Very low	70 Å²	70	133.8 Å²	133.8	72%	0.722	75%	0.754	S	S	*	*			trans	160.6	-0.8	151.7	0	0	0	0	0	124.5
846	L	27.9	Very low	30.1	Very low	165 Å²	165	138.1 Å²	138.1	86%	0.864	76%	0.755	S	S	*	*			trans	57.7	126.8	156.5	-66.7	163.8	0	0	0	122.5
847	H	29.9	Very low	30.2	Very low	161 Å²	161	138.3 Å²	138.3	75%	0.745	76%	0.758	S	S	*	*			trans	94.7	113.9	137.5	-114	-77.2	0	0	0	122.2
848	P	31	Very low	30.3	Very low	109 Å²	109	139.8 Å²	139.8	71%	0.708	76%	0.757	S	S	*	*			trans	-102.2	169.6	158.1	39.3	-30.9	0	0	0	111.9
849	E	33.1	Very low	30.1	Very low	191 Å²	191	141 Å²	141	89%	0.893	76%	0.76	S	S	*	*			trans	-143.4	148.4	161.8	-134.9	164.4	-152.8	0	0	111
850	F	28.3	Very low	30.2	Very low	180 Å²	180	141 Å²	141	79%	0.789	76%	0.76	S	S	*	*			trans	-107.1	152.7	-171.8	-119.9	-103.5	0	0	0	109.1
851	D	32.6	Very low	30.4	Very low	161 Å²	161	139.9 Å²	139.9	86%	0.861	76%	0.759	S	S	*	*			trans	-153.3	156.8	145.4	-121.8	-27.6	0	0	0	114.2
852	L	33.2	Very low	30.7	Very low	126 Å²	126	139.6 Å²	139.6	66%	0.66	75%	0.75	S	S	*	*			trans	-104.6	147.7	-158.4	-71.1	95.2	0	0	0	116.3
853	L	27.7	Very low	31	Very low	151 Å²	151	141.7 Å²	141.7	79%	0.791	76%	0.756	S	S	*	*			trans	37.8	128	137	-58.9	172	0	0	0	121.4
854	D	31.6	Very low	31.3	Very low	117 Å²	117	144.5 Å²	144.5	63%	0.626	76%	0.759	S	S	*	*				-142.9	113.6	127.4	-167.2	4.8	0	0	0	111.5	R856	D854-R856 VanDerWaalsContact C-N 3.35Å; D854-R856 PolarHBondContact O-N 3.46Å; D854-R856 VanDerWaalsContact O-N 3.15Å; D854-R856 IonicContact OD1-NE 3.25Å; D854-R856 IonicContact OD1-NH2 3.95Å
855	P	31.1	Very low	31.4	Very low	109 Å²	109	142.7 Å²	142.7	71%	0.708	75%	0.753	S	S	*	*			trans	-87.3	68.9	178.1	35.6	-34.3	0	0	0	111.2
856	R	31.9	Very low	31.7	Very low	196 Å²	196	143.1 Å²	143.1	74%	0.74	74%	0.743	S	S	*	*			trans	-155.3	74.5	177.9	-110.7	177	-57.4	-171	4.4	113.7	D854	D854-R856 VanDerWaalsContact C-N 3.35Å; D854-R856 PolarHBondContact O-N 3.46Å; D854-R856 VanDerWaalsContact O-N 3.15Å; D854-R856 IonicContact OD1-NE 3.25Å; D854-R856 IonicContact OD1-NH2 3.95Å
857	N	32.5	Very low	32	Very low	172 Å²	172	141.5 Å²	141.5	92%	0.92	73%	0.731	S	S	*	*			trans	-150.6	130.3	148.2	-111.3	-28.5	0	0	0	112.8
858	S	31.7	Very low	32.2	Very low	99 Å²	99	138.8 Å²	138.8	69%	0.692	72%	0.719	S	S	*	*			trans	-99.8	143.6	-171.5	53.6	0	0	0	0	111.7
859	V	29.9	Very low	32.5	Very low	127 Å²	127	144.4 Å²	144.4	77%	0.77	73%	0.726	S	S	*	*			trans	63.3	105.8	156.7	-177.3	0	0	0	0	116.2
860	N	31.6	Very low	33.1	Very low	146 Å²	146	144.5 Å²	144.5	78%	0.781	72%	0.723	S	S	*	*				-148.9	124.4	125	-117.5	-9.9	0	0	0	109.9	D862	N860-D862 PolarHBondContact O-N 2.91Å
861	V	32.7	Very low	34.4	Very low	120 Å²	120	142 Å²	142	73%	0.727	72%	0.716	S	S	*	*			trans	-91.4	89.1	175.9	178.5	0	0	0	0	107.4	H863	V861-H863 PolarHBondContact O-N 3.36Å
862	D	33.5	Very low	35.9	Very low	98 Å²	98	141.1 Å²	141.1	52%	0.524	70%	0.704	S	S	.	*			trans	-75.3	105.1	177.4	-100.9	13.3	0	0	0	110.2	N860 R864	N860-D862 PolarHBondContact O-N 2.91Å; D862-R864 HydrophobicContact CB-CG 4.3Å; D862-R864 PolarHBondContact O-N 2.98Å; D862-R864 IonicContact OD2-CZ 2.68Å; D862-R864 IonicContact OD2-NE 2.74Å; D862-R864 PolarHBondContact OD2-NE 2.86Å; D862-R864 IonicContact OD2-NH2 2.85Å; D862-R864 PolarHBondContact OD2-NH2 2.82Å
863	H	32.6	Very low	37.8	Very low	182 Å²	182	143 Å²	143	84%	0.843	71%	0.707	S	S	*	*			trans	-67.9	94	165.2	-71.6	-72.4	0	0	0	110.1	V861	V861-H863 PolarHBondContact O-N 3.36Å
864	R	34.4	Very low	40.6	Very low	207 Å²	207	136.7 Å²	136.7	78%	0.781	67%	0.673	S	S	*	*			trans	-97	138.5	171.7	-63.8	-172.3	-173.4	-164.6	1.7	111.3	D862	D862-R864 HydrophobicContact CB-CG 4.3Å; D862-R864 PolarHBondContact O-N 2.98Å; D862-R864 IonicContact OD2-CZ 2.68Å; D862-R864 IonicContact OD2-NE 2.74Å; D862-R864 PolarHBondContact OD2-NE 2.86Å; D862-R864 IonicContact OD2-NH2 2.85Å; D862-R864 PolarHBondContact OD2-NH2 2.82Å
865	T	32.7	Very low	43.1	Very low	109 Å²	109	136.5 Å²	136.5	67%	0.669	67%	0.668	S	S	*	*			trans	-63.2	153.1	-175.6	41.2	0	0	0	0	113.4	E867	T865-E867 VanDerWaalsContact C-N 3.28Å; T865-E867 PolarHBondContact O-N 3.35Å
866	P	34.9	Very low	45.8	Very low	79 Å²	79	132.3 Å²	132.3	51%	0.513	64%	0.639	S	S	.	*			trans	-74.8	76.2	177	32.9	-36.1	0	0	0	111.6	E437 H868	E437-P866 WeakPolarHBondContact OE2-CG 3.38Å; P866-H868 PolarHBondContact O-N 3.45Å
867	E	34.9	Very low	48.5	Very low	131 Å²	131	125.9 Å²	125.9	61%	0.612	61%	0.614	S	S	*	*			trans	-67.6	117.3	162.1	-69.7	-170	149.3	0	0	108.8	T865 R869	T865-E867 VanDerWaalsContact C-N 3.28Å; T865-E867 PolarHBondContact O-N 3.35Å; E867-R869 PolarHBondContact O-N 3.37Å
868	H	35.1	Very low	51.4	Low	105 Å²	105	119.5 Å²	119.5	49%	0.486	58%	0.58	S	S	.	*			trans	-32.7	111.8	-179.5	-51.8	-51.1	0	0	0	112.9	H435 P866 K870	H435-H868 AromaticContact CE1-CD2 3.19Å; H435-H868 PolarHBondContact CE1-CD2 2.79Å; H435-H868 AromaticContact CE1-CG 3.5Å; H435-H868 PolarHBondContact CE1-N 3.4Å; H435-H868 AromaticContact ND1-CD2 3.18Å; H435-H868 PolarHBondContact ND1-CD2 2.68Å; H435-H868 AromaticContact ND1-CG 3.67Å; H435-H868 AromaticContact ND1-NE2 3.63Å; P866-H868 PolarHBondContact O-N 3.45Å; H868-K870 VanDerWaalsContact C-N 3.27Å; H868-K870 PolarHBondContact O-N 3.4Å
869	R	35.6	Very low	54.3	Low	226 Å²	226	114.8 Å²	114.8	85%	0.853	55%	0.547	S	S	*	.			trans	-58.9	91.4	164.3	-77.6	178.7	170.7	168.3	-3.9	108.5	E867 M871	E867-R869 PolarHBondContact O-N 3.37Å; R869-M871 PolarHBondContact O-N 3.12Å
870	K	47.6	Very low	57.4	Low	193 Å²	193	108.8 Å²	108.8	84%	0.839	51%	0.511	S	S	*	.			trans	-54.2	113.6	168.6	-74.7	177.7	179.3	169.9	0	106.9	H868 K872	H868-K870 VanDerWaalsContact C-N 3.27Å; H868-K870 PolarHBondContact O-N 3.4Å; K870-K872 PolarHBondContact O-N 3.2Å
871	M	55.6	Low	60.3	Low	129 Å²	129	104.3 Å²	104.3	64%	0.635	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-52.9	129.4	177.7	-86	-175.5	158.5	0	0	109.3	L803 R869 K873	L803-M871 HydrophobicContact CD1-CE 4.12Å; L803-M871 HydrophobicContact CD1-SD 4.46Å; R869-M871 PolarHBondContact O-N 3.12Å; M871-K873 PolarHBondContact O-N 2.86Å
872	K	64.1	Low	63	Low	142 Å²	142	104.4 Å²	104.4	62%	0.617	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-57.6	130.3	176.4	-170.4	172.1	179	176.6	0	108.6	D822 K870 R874	D822-K872 WeakPolarHBondContact OD1-CE 3.49Å; D822-K872 IonicContact OD1-NZ 3.25Å; D822-K872 PolarHBondContact OD1-NZ 2.71Å; D822-K872 WeakPolarHBondContact OD2-CD 3.11Å; D822-K872 WeakPolarHBondContact OD2-CE 3.2Å; D822-K872 IonicContact OD2-NZ 3.51Å; D822-K872 PolarHBondContact OD2-NZ 2.75Å; K870-K872 PolarHBondContact O-N 3.2Å; K872-R874 PolarHBondContact O-N 3.44Å
873	K	72.7	Confident	65.7	Low	164 Å²	164	102.5 Å²	102.5	71%	0.713	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-57.4	130.4	174.1	-70.3	-173.2	176.6	-174.7	0	108.4	M871	M871-K873 PolarHBondContact O-N 2.86Å
874	R	85.2	Confident	68.5	Low	20 Å²	20	95.2 Å²	95.2	8%	0.075	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-68.5	141.7	174.6	72.7	-172.6	162.2	63.8	14.4	109.7	L647 G650 G651 W652 A801 K872	L647-R874 VanDerWaalsContact O-CZ 3.3Å; L647-R874 PolarHBondContact O-NH1 3.42Å; L647-R874 PolarHBondContact O-NH2 3.42Å; G650-R874 PolarHBondContact O-N 3.4Å; G650-R874 VanDerWaalsContact O-N 3.1Å; G651-R874 VanDerWaalsContact O-CZ 3.25Å; G651-R874 PolarHBondContact O-NE 2.86Å; G651-R874 PolarHBondContact O-NH2 2.93Å; W652-R874 HydrophobicContact CD2-CB 4.37Å; W652-R874 HydrophobicContact CH2-CB 3.91Å; W652-R874 HydrophobicContact CZ2-CB 3.61Å; W652-R874 HydrophobicContact CZ3-CB 4.39Å; A801-R874 VanDerWaalsContact CB-CZ 3.49Å; K872-R874 PolarHBondContact O-N 3.44Å
875	H	84.6	Confident	71.1	Confident	113 Å²	113	87.1 Å²	87.1	52%	0.523	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-69.8	132.3	164.7	-169.5	93.1	0	0	0	109.1	W877	H875-W877 AromaticContact CD2-CD1 3.72Å; H875-W877 AromaticContact CD2-CD2 3.57Å; H875-W877 AromaticContact CD2-CE2 3.33Å; H875-W877 AromaticContact CD2-CG 3.8Å; H875-W877 AromaticContact CD2-CZ2 3.8Å; H875-W877 AromaticContact CD2-NE1 3.43Å; H875-W877 PolarHBondContact CD2-NE1 2.78Å; H875-W877 AromaticContact NE2-CD2 3.97Å; H875-W877 AromaticContact NE2-CE2 3.94Å
876	H	88.1	Confident	73.6	Confident	21 Å²	21	86.9 Å²	86.9	10%	0.097	41%	0.414	C	S	.	.			trans	-97.3	95.2	179.3	175.8	-155	0	0	0	109.8	R644 L647 S648 E797	R644-H876 PolarHBondContact NH1-CE1 3.15Å; R644-H876 PolarHBondContact NH1-NE2 3.19Å; L647-H876 VanDerWaalsContact C-ND1 3.33Å; L647-H876 WeakPolarHBondContact CB-CE1 3.17Å; L647-H876 WeakPolarHBondContact CB-NE2 3.31Å; L647-H876 PolarHBondContact O-ND1 3.32Å; S648-H876 VanDerWaalsContact CA-ND1 3.32Å; S648-H876 WeakPolarHBondContact CA-ND1 3.16Å; S648-H876 PolarHBondContact N-ND1 3.11Å; S648-H876 PolarHBondContact OG-CE1 3.3Å; S648-H876 PolarHBondContact OG-ND1 3.29Å; E797-H876 IonicContact OE2-NE2 3.55Å
877	W	88.9	Confident	76.1	Confident	60 Å²	60	88.1 Å²	88.1	23%	0.227	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-76.2	127.6	173.6	-64	96.7	0	0	0	111	F823 H875 E881 K882	F823-W877 HydrophobicContact CB-CZ2 3.73Å; F823-W877 HydrophobicContact CD1-CD2 4.09Å; F823-W877 AromaticContact CD1-CE2 3.27Å; F823-W877 HydrophobicContact CD1-CH2 4.25Å; F823-W877 AromaticContact CD1-CZ2 3.38Å; F823-W877 HydrophobicContact CD1-CZ2 3.38Å; F823-W877 AromaticContact CD1-NE1 3.27Å; F823-W877 VanDerWaalsContact CD1-NE1 3.27Å; F823-W877 AromaticContact CD2-NE1 3.51Å; F823-W877 AromaticContact CE1-CD1 3.55Å; F823-W877 AromaticContact CE1-CD2 3.87Å; F823-W877 HydrophobicContact CE1-CD2 3.87Å; F823-W877 AromaticContact CE1-CE2 3.46Å; F823-W877 VanDerWaalsContact CE1-CE2 3.46Å; F823-W877 AromaticContact CE1-CG 3.94Å; F823-W877 HydrophobicContact CE1-CG 3.94Å; F823-W877 HydrophobicContact CE1-CZ2 4.05Å; F823-W877 AromaticContact CE1-NE1 3.22Å; F823-W877 AromaticContact CE2-CD1 3.81Å; F823-W877 AromaticContact CE2-NE1 3.5Å; F823-W877 AromaticContact CG-CE2 3.71Å; F823-W877 AromaticContact CG-CZ2 3.73Å; F823-W877 HydrophobicContact CG-CZ2 3.73Å; F823-W877 AromaticContact CG-NE1 3.41Å; F823-W877 AromaticContact CZ-CD1 3.41Å; F823-W877 VanDerWaalsContact CZ-CD1 3.41Å; F823-W877 HydrophobicContact CZ-CG 4.14Å; F823-W877 AromaticContact CZ-NE1 3.36Å; H875-W877 AromaticContact CD2-CD1 3.72Å; H875-W877 AromaticContact CD2-CD2 3.57Å; H875-W877 AromaticContact CD2-CE2 3.33Å; H875-W877 AromaticContact CD2-CG 3.8Å; H875-W877 AromaticContact CD2-CZ2 3.8Å; H875-W877 AromaticContact CD2-NE1 3.43Å; H875-W877 PolarHBondContact CD2-NE1 2.78Å; H875-W877 AromaticContact NE2-CD2 3.97Å; H875-W877 AromaticContact NE2-CE2 3.94Å; W877-E881 HydrophobicContact CE3-CB 4.24Å; W877-E881 HydrophobicContact CE3-CG 3.97Å; W877-E881 HydrophobicContact CZ3-CG 4.24Å; W877-K882 HydrophobicContact CE3-CB 4.23Å
878	L	92.4	Very high	78.5	Confident	39 Å²	39	82.1 Å²	82.1	20%	0.204	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-71.8	155.7	166.6	-56.4	176	0	0	0	110.2	R644 Y880 E881	R644-L878 VanDerWaalsContact CZ-CD2 3.42Å; L878-Y880 PolarHBondContact O-N 2.74Å; L878-E881 HydrophobicContact CB-CB 4.05Å; L878-E881 WeakPolarHBondContact CB-OE2 3.26Å; L878-E881 WeakPolarHBondContact CG-OE2 3.37Å; L878-E881 PolarHBondContact N-OE2 3.45Å; L878-E881 WeakPolarHBondContact O-CB 3.31Å; L878-E881 PolarHBondContact O-N 3.48Å
879	P	93.8	Very high	80.8	Confident	0 Å²	0	82.8 Å²	82.8	0%	0	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	133.4	174.1	-26	32.9	0	0	0	111.7	R765 Y766 L793 W796 E797 E881 P905	R765-P879 VanDerWaalsContact CD-O 3.23Å; R765-P879 WeakPolarHBondContact CD-O 3.33Å; R765-P879 HydrophobicContact CG-CB 4.18Å; R765-P879 WeakPolarHBondContact CG-O 3.46Å; R765-P879 PolarHBondContact NH1-O 3.49Å; Y766-P879 HydrophobicContact CE1-CG 4.08Å; L793-P879 HydrophobicContact CB-CB 4.47Å; L793-P879 HydrophobicContact CB-CG 4.12Å; L793-P879 HydrophobicContact CD2-CB 4.12Å; W796-P879 HydrophobicContact CE3-CG 4.3Å; W796-P879 HydrophobicContact CZ3-CB 4.48Å; W796-P879 HydrophobicContact CZ3-CG 4.26Å; E797-P879 VanDerWaalsContact CD-CD 3.46Å; E797-P879 HydrophobicContact CG-CG 3.74Å; E797-P879 WeakPolarHBondContact OE2-CD 3.28Å; P879-E881 PolarHBondContact O-N 2.75Å; P879-P905 HydrophobicContact CB-CG 4.25Å
880	Y	94.8	Very high	83.4	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	3.8	-177.6	-46.5	-71.3	0	0	0	116.3	R765 Y789 L793 L878 E883 L884 L894 L897 V898 Y903 P905	R765-Y880 HydrophobicContact CG-CD2 4.36Å; Y789-Y880 PolarHBondContact OH-OH 2.76Å; L793-Y880 HydrophobicContact CD1-CE2 4.2Å; L793-Y880 HydrophobicContact CD2-CE2 3.94Å; L878-Y880 PolarHBondContact O-N 2.74Å; Y880-E883 VanDerWaalsContact CA-OE2 3.23Å; Y880-E883 WeakPolarHBondContact CA-OE2 3.36Å; Y880-L884 WeakPolarHBondContact O-CB 3.36Å; Y880-L884 PolarHBondContact O-N 3.47Å; Y880-L884 VanDerWaalsContact O-N 3.1Å; Y880-L894 HydrophobicContact CD2-CD2 3.79Å; Y880-L894 HydrophobicContact CG-CD2 3.91Å; Y880-L897 HydrophobicContact CD1-CD2 3.83Å; Y880-L897 HydrophobicContact CG-CD2 4.46Å; Y880-V898 HydrophobicContact CD1-CG2 4.25Å; Y880-V898 HydrophobicContact CD2-CG2 4.41Å; Y880-V898 HydrophobicContact CE1-CG2 3.78Å; Y880-V898 HydrophobicContact CE2-CG2 3.96Å; Y880-Y903 HydrophobicContact CD1-CD1 4.39Å; Y880-Y903 HydrophobicContact CE1-CD1 4.35Å; Y880-P905 HydrophobicContact CD1-CG 4.22Å; Y880-P905 HydrophobicContact CE1-CG 3.93Å
881	E	92.2	Very high	85.2	Confident	53 Å²	53	67.3 Å²	67.3	25%	0.248	35%	0.347	C	S	.	.	H	α-helix	trans	-73.9	-35.4	-179.7	-176.1	173.7	-151.3	0	0	112.8	W877 L878 P879 E883 G885	W877-E881 HydrophobicContact CE3-CB 4.24Å; W877-E881 HydrophobicContact CE3-CG 3.97Å; W877-E881 HydrophobicContact CZ3-CG 4.24Å; L878-E881 HydrophobicContact CB-CB 4.05Å; L878-E881 WeakPolarHBondContact CB-OE2 3.26Å; L878-E881 WeakPolarHBondContact CG-OE2 3.37Å; L878-E881 PolarHBondContact N-OE2 3.45Å; L878-E881 WeakPolarHBondContact O-CB 3.31Å; L878-E881 PolarHBondContact O-N 3.48Å; P879-E881 PolarHBondContact O-N 2.75Å; E881-E883 VanDerWaalsContact C-N 3.28Å; E881-E883 PolarHBondContact O-N 2.75Å; E881-G885 VanDerWaalsContact O-CA 3.23Å; E881-G885 WeakPolarHBondContact O-CA 3.38Å; E881-G885 PolarHBondContact O-N 3.16Å
882	K	89.2	Confident	86.9	Confident	121 Å²	121	64.3 Å²	64.3	53%	0.526	34%	0.342	S	S	.	.	H	α-helix	trans	-62.3	-39.9	175.7	-176.7	-164.2	-164.5	144.6	0	111.3	F823 W877	F823-K882 HydrophobicContact CD1-CD 4Å; F823-K882 HydrophobicContact CD1-CG 3.95Å; F823-K882 HydrophobicContact CE1-CB 4.16Å; F823-K882 HydrophobicContact CE1-CD 3.43Å; F823-K882 VanDerWaalsContact CE1-CD 3.43Å; F823-K882 VanDerWaalsContact CE1-CE 3.43Å; F823-K882 HydrophobicContact CE1-CG 3.68Å; F823-K882 HydrophobicContact CZ-CD 4.37Å; W877-K882 HydrophobicContact CE3-CB 4.23Å
883	E	90.5	Very high	88.3	Confident	58 Å²	58	58.4 Å²	58.4	27%	0.271	32%	0.32	S	S	.	.	H	α-helix	trans	-84.8	-34.5	-171.2	-61.9	77.3	-164.4	0	0	112.8	Y880 E881 L897 Y903	Y880-E883 VanDerWaalsContact CA-OE2 3.23Å; Y880-E883 WeakPolarHBondContact CA-OE2 3.36Å; E881-E883 VanDerWaalsContact C-N 3.28Å; E881-E883 PolarHBondContact O-N 2.75Å; E883-L897 HydrophobicContact CB-CD2 3.98Å; E883-Y903 HydrophobicContact CG-CD1 4.42Å; E883-Y903 HydrophobicContact CG-CE1 3.57Å; E883-Y903 PolarHBondContact OE1-OH 3.03Å
884	L	91.3	Very high	89.2	Confident	30 Å²	30	50.6 Å²	50.6	16%	0.157	29%	0.286	C	S	.	.	H	α-helix	trans	-109.2	-12.5	-176.3	-63.2	179.2	0	0	0	114.1	Y880 S886 L887 C888 A893 L894 L897	Y880-L884 WeakPolarHBondContact O-CB 3.36Å; Y880-L884 PolarHBondContact O-N 3.47Å; Y880-L884 VanDerWaalsContact O-N 3.1Å; L884-S886 PolarHBondContact O-N 3.17Å; L884-L887 HydrophobicContact CB-CB 4.11Å; L884-L887 VanDerWaalsContact O-CB 3.24Å; L884-L887 WeakPolarHBondContact O-CB 3.44Å; L884-L887 PolarHBondContact O-N 3.45Å; L884-C888 HydrophobicContact CB-CB 3.95Å; L884-C888 HydrophobicContact CD1-CB 4.26Å; L884-A893 HydrophobicContact CD1-CB 4.21Å; L884-A893 HydrophobicContact CD2-CB 4.31Å; L884-L894 HydrophobicContact CD1-CD2 3.81Å; L884-L894 HydrophobicContact CD1-CG 4.14Å; L884-L897 HydrophobicContact CD1-CB 4.48Å; L884-L897 HydrophobicContact CD1-CD2 3.78Å; L884-L897 HydrophobicContact CD2-CB 4.47Å; L884-L897 HydrophobicContact CD2-CD2 3.9Å; L884-L897 HydrophobicContact CG-CD2 3.64Å
885	G	89.1	Confident	89.6	Confident	36 Å²	36	53 Å²	53	37%	0.371	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	53	-131	-169.9	0	0	0	0	0	110.5	E881 L887 C888	E881-G885 VanDerWaalsContact O-CA 3.23Å; E881-G885 WeakPolarHBondContact O-CA 3.38Å; E881-G885 PolarHBondContact O-N 3.16Å; G885-L887 PolarHBondContact O-N 3.25Å; G885-C888 PolarHBondContact O-N 2.78Å; G885-C888 PolarHBondContact O-SG 2.9Å
886	S	85.5	Confident	90.1	Very high	105 Å²	105	52 Å²	52	73%	0.734	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-65	-19.8	175.8	56.8	0	0	0	0	114.8	L884 C888 N889	L884-S886 PolarHBondContact O-N 3.17Å; S886-C888 PolarHBondContact O-N 2.86Å; S886-N889 PolarHBondContact O-N 2.96Å
887	L	87	Confident	90.4	Very high	105 Å²	105	51.6 Å²	51.6	55%	0.55	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-68.5	-13.3	179	-60.4	170.4	0	0	0	112.8	L884 G885 N889 S890 A893	L884-L887 HydrophobicContact CB-CB 4.11Å; L884-L887 VanDerWaalsContact O-CB 3.24Å; L884-L887 WeakPolarHBondContact O-CB 3.44Å; L884-L887 PolarHBondContact O-N 3.45Å; G885-L887 PolarHBondContact O-N 3.25Å; L887-N889 PolarHBondContact O-N 2.82Å; L887-S890 VanDerWaalsContact O-CB 3.3Å; L887-S890 WeakPolarHBondContact O-CB 3.15Å; L887-S890 PolarHBondContact O-N 2.94Å; L887-A893 HydrophobicContact CB-CB 3.98Å; L887-A893 WeakPolarHBondContact O-CB 3.41Å
888	C	84.6	Confident	90.7	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.027	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-61.4	-11.4	175.5	66.4	0	0	0	0	114.5	R765 L884 G885 S886 L894	R765-C888 VanDerWaalsContact CZ-SG 3.55Å; R765-C888 VanDerWaalsContact NH1-CB 3.34Å; R765-C888 PolarHBondContact NH1-SG 3.04Å; R765-C888 PolarHBondContact NH2-SG 2.92Å; L884-C888 HydrophobicContact CB-CB 3.95Å; L884-C888 HydrophobicContact CD1-CB 4.26Å; G885-C888 PolarHBondContact O-N 2.78Å; G885-C888 PolarHBondContact O-SG 2.9Å; S886-C888 PolarHBondContact O-N 2.86Å; C888-L894 WeakPolarHBondContact O-CD1 3.38Å
889	N	84.3	Confident	90.7	Very high	119 Å²	119	47.1 Å²	47.1	64%	0.636	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-91.9	-3.2	172.6	-60.2	-40.3	0	0	0	112.9	R765 S886 L887	R765-N889 PolarHBondContact NH2-OD1 3.48Å; S886-N889 PolarHBondContact O-N 2.96Å; L887-N889 PolarHBondContact O-N 2.82Å
890	S	89.3	Confident	90.7	Very high	48 Å²	48	52.7 Å²	52.7	34%	0.336	30%	0.302	S	S	.	.			trans	-91.9	124.7	176.2	176.7	0	0	0	0	111.2	L887 A892 A893 L894	L887-S890 VanDerWaalsContact O-CB 3.3Å; L887-S890 WeakPolarHBondContact O-CB 3.15Å; L887-S890 PolarHBondContact O-N 2.94Å; S890-A892 PolarHBondContact O-N 3.19Å; S890-A892 PolarHBondContact OG-N 3.16Å; S890-A893 PolarHBondContact O-N 2.89Å; S890-L894 PolarHBondContact O-N 2.61Å
891	S	86.2	Confident	90.7	Very high	47 Å²	47	58 Å²	58	33%	0.329	33%	0.327	S	S	.	.	H	α-helix	trans	-60.3	-32.2	175.6	-172.8	0	0	0	0	112.4	Q895	S891-Q895 WeakPolarHBondContact O-CB 3.37Å; S891-Q895 PolarHBondContact O-N 3.3Å
892	A	91.2	Very high	90.9	Very high	65 Å²	65	61.1 Å²	61.1	54%	0.537	34%	0.34	S	S	.	.	H	α-helix	trans	-73	-38.8	179.3	0	0	0	0	0	112.1	S890 Q895 Q896	S890-A892 PolarHBondContact O-N 3.19Å; S890-A892 PolarHBondContact OG-N 3.16Å; A892-Q895 PolarHBondContact O-N 2.79Å; A892-Q896 WeakPolarHBondContact O-CB 3.27Å; A892-Q896 PolarHBondContact O-N 3.01Å
893	A	93.1	Very high	91.2	Very high	19 Å²	19	59.1 Å²	59.1	16%	0.157	33%	0.33	C	S	.	.	H	α-helix	trans	-69.8	-41.2	177.6	0	0	0	0	0	111.7	L884 L887 S890 Q896 L897	L884-A893 HydrophobicContact CD1-CB 4.21Å; L884-A893 HydrophobicContact CD2-CB 4.31Å; L887-A893 HydrophobicContact CB-CB 3.98Å; L887-A893 WeakPolarHBondContact O-CB 3.41Å; S890-A893 PolarHBondContact O-N 2.89Å; A893-Q896 PolarHBondContact O-N 3.07Å; A893-L897 WeakPolarHBondContact O-CB 3.03Å; A893-L897 PolarHBondContact O-N 2.83Å
894	L	92.7	Very high	91.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-66.9	-37.3	172.1	-78.4	172.3	0	0	0	112.2	L764 I772 Y880 L884 C888 S890 L897 V898	L764-L894 HydrophobicContact CD2-CD1 3.93Å; L764-L894 HydrophobicContact CG-CD1 3.71Å; I772-L894 HydrophobicContact CD1-CB 4.49Å; Y880-L894 HydrophobicContact CD2-CD2 3.79Å; Y880-L894 HydrophobicContact CG-CD2 3.91Å; L884-L894 HydrophobicContact CD1-CD2 3.81Å; L884-L894 HydrophobicContact CD1-CG 4.14Å; C888-L894 WeakPolarHBondContact O-CD1 3.38Å; S890-L894 PolarHBondContact O-N 2.61Å; L894-L897 PolarHBondContact O-N 3.12Å; L894-V898 HydrophobicContact CD2-CG2 3.97Å; L894-V898 WeakPolarHBondContact O-CA 3.36Å; L894-V898 WeakPolarHBondContact O-CB 3.22Å; L894-V898 VanDerWaalsContact O-CG2 3.31Å; L894-V898 WeakPolarHBondContact O-CG2 3.25Å; L894-V898 PolarHBondContact O-N 3.36Å
895	Q	92.6	Very high	91.6	Very high	70 Å²	70	56.4 Å²	56.4	33%	0.327	32%	0.315	S	S	.	.	I	π-helix	trans	-61.5	-46.8	174.1	-176.2	168.7	32.3	0	0	112	I772 D773 S891 A892 L897 C899 L900	I772-Q895 HydrophobicContact CG2-CB 3.74Å; I772-Q895 HydrophobicContact CG2-CG 4.25Å; D773-Q895 WeakPolarHBondContact OD1-CG 3.42Å; D773-Q895 PolarHBondContact OD1-NE2 2.99Å; S891-Q895 WeakPolarHBondContact O-CB 3.37Å; S891-Q895 PolarHBondContact O-N 3.3Å; A892-Q895 PolarHBondContact O-N 2.79Å; Q895-L897 PolarHBondContact O-N 2.98Å; Q895-C899 HydrophobicContact CG-CB 4.35Å; Q895-C899 WeakPolarHBondContact O-CA 3.42Å; Q895-C899 WeakPolarHBondContact O-CB 3.48Å; Q895-C899 PolarHBondContact O-N 3.13Å; Q895-L900 PolarHBondContact O-N 3.13Å
896	Q	94.5	Very high	91.7	Very high	91 Å²	91	57.2 Å²	57.2	43%	0.425	32%	0.318	S	S	.	.	I	π-helix	trans	-56.2	-52	174.9	179	62.6	32.4	0	0	111.2	A892 A893 L900 E901	A892-Q896 WeakPolarHBondContact O-CB 3.27Å; A892-Q896 PolarHBondContact O-N 3.01Å; A893-Q896 PolarHBondContact O-N 3.07Å; Q896-L900 WeakPolarHBondContact O-CB 3.37Å; Q896-L900 PolarHBondContact O-N 3.06Å; Q896-E901 WeakPolarHBondContact CG-OE1 3.44Å; Q896-E901 PolarHBondContact NE2-OE1 2.81Å; Q896-E901 PolarHBondContact O-N 3.12Å
897	L	95	Very high	91.9	Very high	13 Å²	13	53 Å²	53	7%	0.068	29%	0.292	C	S	.	.	I	π-helix	trans	-73.5	-48.4	-174.6	-172.9	63.8	0	0	0	113.3	Y880 E883 L884 A893 L894 Q895 K902 Y903	Y880-L897 HydrophobicContact CD1-CD2 3.83Å; Y880-L897 HydrophobicContact CG-CD2 4.46Å; E883-L897 HydrophobicContact CB-CD2 3.98Å; L884-L897 HydrophobicContact CD1-CB 4.48Å; L884-L897 HydrophobicContact CD1-CD2 3.78Å; L884-L897 HydrophobicContact CD2-CB 4.47Å; L884-L897 HydrophobicContact CD2-CD2 3.9Å; L884-L897 HydrophobicContact CG-CD2 3.64Å; A893-L897 WeakPolarHBondContact O-CB 3.03Å; A893-L897 PolarHBondContact O-N 2.83Å; L894-L897 PolarHBondContact O-N 3.12Å; Q895-L897 PolarHBondContact O-N 2.98Å; L897-K902 PolarHBondContact O-N 3.13Å; L897-Y903 VanDerWaalsContact CD1-CB 3.45Å; L897-Y903 HydrophobicContact CD1-CD1 3.86Å; L897-Y903 HydrophobicContact CD1-CD2 4.28Å; L897-Y903 HydrophobicContact CD1-CG 3.6Å; L897-Y903 HydrophobicContact CD2-CD1 4.15Å; L897-Y903 HydrophobicContact CG-CD1 4.02Å; L897-Y903 HydrophobicContact CG-CG 4.12Å; L897-Y903 VanDerWaalsContact O-CB 3.26Å; L897-Y903 WeakPolarHBondContact O-CB 3.49Å; L897-Y903 PolarHBondContact O-N 3.27Å
898	V	95	Very high	91.9	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.284	C	S	.	.	I	π-helix	trans	-85.8	-35	-169.4	-178.5	0	0	0	0	112.7	P769 I772 Y789 Y880 L894 K902 R904	P769-V898 HydrophobicContact CB-CG1 4.43Å; I772-V898 HydrophobicContact CD1-CB 4.31Å; I772-V898 HydrophobicContact CD1-CG1 4.19Å; Y789-V898 VanDerWaalsContact OH-CG1 3.27Å; Y789-V898 WeakPolarHBondContact OH-CG1 3.29Å; Y880-V898 HydrophobicContact CD1-CG2 4.25Å; Y880-V898 HydrophobicContact CD2-CG2 4.41Å; Y880-V898 HydrophobicContact CE1-CG2 3.78Å; Y880-V898 HydrophobicContact CE2-CG2 3.96Å; L894-V898 HydrophobicContact CD2-CG2 3.97Å; L894-V898 WeakPolarHBondContact O-CA 3.36Å; L894-V898 WeakPolarHBondContact O-CB 3.22Å; L894-V898 VanDerWaalsContact O-CG2 3.31Å; L894-V898 WeakPolarHBondContact O-CG2 3.25Å; L894-V898 PolarHBondContact O-N 3.36Å; V898-K902 WeakPolarHBondContact O-CA 3.45Å; V898-R904 PolarHBondContact O-NH1 3.32Å
899	C	93.2	Very high	92.2	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.034	31%	0.31	C	S	.	.	I	π-helix	trans	-98.1	-53.2	-175	-51.3	0	0	0	0	112.2	P769 D773 Q895 K902 H930	P769-C899 HydrophobicContact CB-CB 4.5Å; D773-C899 VanDerWaalsContact CG-SG 3.57Å; D773-C899 VanDerWaalsContact OD1-CB 3.3Å; D773-C899 WeakPolarHBondContact OD1-CB 3.15Å; D773-C899 PolarHBondContact OD1-SG 2.89Å; D773-C899 WeakPolarHBondContact OD2-CB 3.46Å; Q895-C899 HydrophobicContact CG-CB 4.35Å; Q895-C899 WeakPolarHBondContact O-CA 3.42Å; Q895-C899 WeakPolarHBondContact O-CB 3.48Å; Q895-C899 PolarHBondContact O-N 3.13Å; C899-K902 WeakPolarHBondContact O-CG 3.13Å; C899-H930 PolarHBondContact O-CE1 2.68Å
900	L	93.4	Very high	92.3	Very high	117 Å²	117	51.8 Å²	51.8	61%	0.613	29%	0.289	S	S	*	.	I	π-helix	trans	-79.9	-51.2	-175.2	-62.2	176.7	0	0	0	112.1	Q895 Q896 K902	Q895-L900 PolarHBondContact O-N 3.13Å; Q896-L900 WeakPolarHBondContact O-CB 3.37Å; Q896-L900 PolarHBondContact O-N 3.06Å; L900-K902 VanDerWaalsContact C-N 3.28Å; L900-K902 PolarHBondContact O-N 3.32Å
901	E	95.5	Very high	92.4	Very high	112 Å²	112	50 Å²	50	52%	0.523	28%	0.275	S	S	.	.	S	Bend	trans	-79.8	-10.9	176.6	-68	171.2	-152.1	0	0	113	Q896 Y903	Q896-E901 WeakPolarHBondContact CG-OE1 3.44Å; Q896-E901 PolarHBondContact NE2-OE1 2.81Å; Q896-E901 PolarHBondContact O-N 3.12Å; E901-Y903 PolarHBondContact O-N 3.23Å; E901-Y903 VanDerWaalsContact O-N 3.12Å
902	K	95.6	Very high	92.7	Very high	119 Å²	119	53 Å²	53	52%	0.517	28%	0.282	S	S	.	.			trans	54.3	25.4	-178.9	-53	-166.4	-175.8	-152.5	0	114.1	L897 V898 C899 L900 H930	L897-K902 PolarHBondContact O-N 3.13Å; V898-K902 WeakPolarHBondContact O-CA 3.45Å; C899-K902 WeakPolarHBondContact O-CG 3.13Å; L900-K902 VanDerWaalsContact C-N 3.28Å; L900-K902 PolarHBondContact O-N 3.32Å; K902-H930 HydrophobicContact CD-CB 4.45Å; K902-H930 WeakPolarHBondContact CE-NE2 3.45Å; K902-H930 PolarHBondContact NZ-CD2 2.99Å; K902-H930 VanDerWaalsContact NZ-CD2 3.29Å; K902-H930 PolarHBondContact NZ-NE2 2.92Å
903	Y	95.9	Very high	92.5	Very high	79 Å²	79	57.7 Å²	57.7	31%	0.31	29%	0.293	S	S	.	.			trans	-69.5	151	-175.9	-171.5	-87.9	0	0	0	111.8	Y880 E883 L897 E901	Y880-Y903 HydrophobicContact CD1-CD1 4.39Å; Y880-Y903 HydrophobicContact CE1-CD1 4.35Å; E883-Y903 HydrophobicContact CG-CD1 4.42Å; E883-Y903 HydrophobicContact CG-CE1 3.57Å; E883-Y903 PolarHBondContact OE1-OH 3.03Å; L897-Y903 VanDerWaalsContact CD1-CB 3.45Å; L897-Y903 HydrophobicContact CD1-CD1 3.86Å; L897-Y903 HydrophobicContact CD1-CD2 4.28Å; L897-Y903 HydrophobicContact CD1-CG 3.6Å; L897-Y903 HydrophobicContact CD2-CD1 4.15Å; L897-Y903 HydrophobicContact CG-CD1 4.02Å; L897-Y903 HydrophobicContact CG-CG 4.12Å; L897-Y903 VanDerWaalsContact O-CB 3.26Å; L897-Y903 WeakPolarHBondContact O-CB 3.49Å; L897-Y903 PolarHBondContact O-N 3.27Å; E901-Y903 PolarHBondContact O-N 3.23Å; E901-Y903 VanDerWaalsContact O-N 3.12Å
904	R	96.1	Very high	92.4	Very high	30 Å²	30	58.7 Å²	58.7	11%	0.113	30%	0.299	C	S	.	.			trans	-139.3	149.2	176	-63.3	-64.7	-177.4	-93.2	2.9	109.8	V898 A906 W928	V898-R904 PolarHBondContact O-NH1 3.32Å; R904-A906 PolarHBondContact O-N 3.13Å; R904-W928 HydrophobicContact CB-CD2 4.31Å; R904-W928 HydrophobicContact CB-CZ2 3.93Å; R904-W928 HydrophobicContact CG-CD2 4.35Å; R904-W928 HydrophobicContact CG-CG 4.15Å; R904-W928 PolarHBondContact NE-O 3.39Å; R904-W928 PolarHBondContact NH2-O 3.37Å; R904-W928 VanDerWaalsContact NH2-O 3.1Å
905	P	94.7	Very high	92.3	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-55.9	127.2	-177	-24.9	35.8	0	0	0	112	L793 W796 P879 Y880 W928	L793-P905 HydrophobicContact CD2-CG 3.96Å; W796-P905 HydrophobicContact CD2-CB 3.71Å; W796-P905 HydrophobicContact CD2-CG 4.46Å; W796-P905 HydrophobicContact CE3-CB 4.09Å; W796-P905 HydrophobicContact CG-CB 4.3Å; W796-P905 HydrophobicContact CH2-CB 3.9Å; W796-P905 HydrophobicContact CZ2-CB 3.49Å; W796-P905 VanDerWaalsContact CZ2-CB 3.49Å; W796-P905 HydrophobicContact CZ3-CB 4.19Å; W796-P905 PolarHBondContact NE1-O 3.25Å; P879-P905 HydrophobicContact CB-CG 4.25Å; Y880-P905 HydrophobicContact CD1-CG 4.22Å; Y880-P905 HydrophobicContact CE1-CG 3.93Å; P905-W928 HydrophobicContact CB-CH2 4.35Å; P905-W928 HydrophobicContact CG-CH2 4.5Å; P905-W928 HydrophobicContact CG-CZ3 4.36Å; P905-W928 WeakPolarHBondContact O-CH2 3.31Å
906	A	91.3	Very high	92.4	Very high	54 Å²	54	62.7 Å²	62.7	45%	0.446	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-67.2	147.3	-172.3	0	0	0	0	0	112.9	W796 R904	W796-A906 PolarHBondContact NE1-O 3.44Å; R904-A906 PolarHBondContact O-N 3.13Å
907	G	88.5	Confident	92.4	Very high	17 Å²	17	58.7 Å²	58.7	18%	0.175	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-81.9	141.1	169.6	0	0	0	0	0	112	Y921	G907-Y921 PolarHBondContact N-OH 2.8Å; G907-Y921 VanDerWaalsContact N-OH 3.12Å
908	H	88.4	Confident	92.4	Very high	83 Å²	83	59.6 Å²	59.6	38%	0.384	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-69.5	136.7	178.5	-169.2	-92.2	0	0	0	111.1	S910 W911	H908-S910 VanDerWaalsContact C-N 3.3Å; H908-S910 PolarHBondContact CE1-OG 3.14Å; H908-S910 VanDerWaalsContact CE1-OG 3.32Å; H908-S910 PolarHBondContact ND1-N 2.76Å; H908-S910 PolarHBondContact ND1-OG 3.44Å; H908-S910 PolarHBondContact O-N 2.85Å; H908-S910 VanDerWaalsContact O-N 3.15Å; H908-W911 HydrophobicContact CB-CD2 3.93Å; H908-W911 HydrophobicContact CB-CG 4.11Å; H908-W911 HydrophobicContact CB-CZ2 4.03Å; H908-W911 VanDerWaalsContact O-CB 3.22Å; H908-W911 WeakPolarHBondContact O-CB 3.37Å; H908-W911 PolarHBondContact O-N 3.32Å
909	P	89.4	Confident	92.4	Very high	90 Å²	90	62.4 Å²	62.4	58%	0.584	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-53.1	-39.6	-174.3	-31	36.8	0	0	0	115.3	W911 F912	P909-W911 PolarHBondContact O-N 3.47Å; P909-F912 WeakPolarHBondContact O-CB 3.35Å; P909-F912 WeakPolarHBondContact O-CD2 3.34Å; P909-F912 PolarHBondContact O-N 2.79Å; P909-F912 VanDerWaalsContact O-N 3.15Å
910	S	87.7	Confident	92.6	Very high	28 Å²	28	62.2 Å²	62.2	20%	0.196	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-69.1	-13.6	179.1	58.3	0	0	0	0	114.6	L804 H908 F912 H913	L804-S910 WeakPolarHBondContact CD1-OG 3.23Å; H908-S910 VanDerWaalsContact C-N 3.3Å; H908-S910 PolarHBondContact CE1-OG 3.14Å; H908-S910 VanDerWaalsContact CE1-OG 3.32Å; H908-S910 PolarHBondContact ND1-N 2.76Å; H908-S910 PolarHBondContact ND1-OG 3.44Å; H908-S910 PolarHBondContact O-N 2.85Å; H908-S910 VanDerWaalsContact O-N 3.15Å; S910-F912 PolarHBondContact O-N 3.04Å; S910-H913 WeakPolarHBondContact O-CB 3.3Å; S910-H913 PolarHBondContact O-N 2.82Å
911	W	91.4	Very high	92.8	Very high	10 Å²	10	57.9 Å²	57.9	4%	0.038	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-62.7	-28.8	171	-65.3	-5.7	0	0	0	111.9	W796 L799 T800 H908 P909 H913 S914 I917 T918 Y921	W796-W911 AromaticContact CD1-CH2 3.92Å; W796-W911 AromaticContact CD1-CZ3 3.93Å; W796-W911 AromaticContact NE1-CH2 3.81Å; L799-W911 HydrophobicContact CB-CH2 4Å; L799-W911 HydrophobicContact CB-CZ2 4.21Å; L799-W911 HydrophobicContact CB-CZ3 4.33Å; L799-W911 HydrophobicContact CD2-CD2 3.97Å; L799-W911 HydrophobicContact CD2-CE3 3.55Å; L799-W911 HydrophobicContact CD2-CH2 4.09Å; L799-W911 HydrophobicContact CD2-CZ2 4.45Å; L799-W911 HydrophobicContact CD2-CZ3 3.59Å; L799-W911 HydrophobicContact CG-CD2 4.1Å; L799-W911 HydrophobicContact CG-CE3 4.09Å; L799-W911 HydrophobicContact CG-CH2 3.99Å; L799-W911 HydrophobicContact CG-CZ2 3.99Å; L799-W911 HydrophobicContact CG-CZ3 4.01Å; L799-W911 WeakPolarHBondContact O-CZ2 3.19Å; T800-W911 HydrophobicContact CG2-CH2 3.93Å; T800-W911 HydrophobicContact CG2-CZ2 4.1Å; H908-W911 HydrophobicContact CB-CD2 3.93Å; H908-W911 HydrophobicContact CB-CG 4.11Å; H908-W911 HydrophobicContact CB-CZ2 4.03Å; H908-W911 VanDerWaalsContact O-CB 3.22Å; H908-W911 WeakPolarHBondContact O-CB 3.37Å; H908-W911 PolarHBondContact O-N 3.32Å; P909-W911 PolarHBondContact O-N 3.47Å; W911-H913 VanDerWaalsContact C-N 3.27Å; W911-H913 PolarHBondContact O-N 3.49Å; W911-S914 PolarHBondContact O-N 2.85Å; W911-I917 HydrophobicContact CB-CG2 3.62Å; W911-I917 HydrophobicContact CG-CG2 3.82Å; W911-T918 PolarHBondContact O-OG1 3.29Å; W911-Y921 AromaticContact CE3-CD2 3.88Å; W911-Y921 HydrophobicContact CE3-CD2 3.88Å; W911-Y921 HydrophobicContact CE3-CE2 4.33Å; W911-Y921 HydrophobicContact CE3-CG 4.21Å; W911-Y921 AromaticContact CZ3-CD2 3.73Å; W911-Y921 HydrophobicContact CZ3-CD2 3.73Å; W911-Y921 AromaticContact CZ3-CE2 3.93Å; W911-Y921 HydrophobicContact CZ3-CE2 3.93Å
912	F	91.1	Very high	92.9	Very high	110 Å²	110	59.7 Å²	59.7	48%	0.482	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-77	-10.1	179.5	-57.6	-71.9	0	0	0	113.5	P909 S910 T918 Y921	P909-F912 WeakPolarHBondContact O-CB 3.35Å; P909-F912 WeakPolarHBondContact O-CD2 3.34Å; P909-F912 PolarHBondContact O-N 2.79Å; P909-F912 VanDerWaalsContact O-N 3.15Å; S910-F912 PolarHBondContact O-N 3.04Å; F912-T918 WeakPolarHBondContact CA-OG1 3.35Å; F912-T918 HydrophobicContact CD1-CG2 4.18Å; F912-Y921 AromaticContact CE1-CD1 3.85Å; F912-Y921 HydrophobicContact CE1-CD1 3.85Å; F912-Y921 HydrophobicContact CE1-CE1 4.16Å; F912-Y921 AromaticContact CZ-CD1 3.83Å; F912-Y921 HydrophobicContact CZ-CD1 3.83Å; F912-Y921 AromaticContact CZ-CE1 3.76Å; F912-Y921 HydrophobicContact CZ-CE1 3.76Å
913	H	88.6	Confident	93	Very high	165 Å²	165	54.1 Å²	54.1	76%	0.764	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-75.3	-27.4	172.6	-58.2	174.6	0	0	0	112	S910 W911	S910-H913 WeakPolarHBondContact O-CB 3.3Å; S910-H913 PolarHBondContact O-N 2.82Å; W911-H913 VanDerWaalsContact C-N 3.27Å; W911-H913 PolarHBondContact O-N 3.49Å
914	S	89.3	Confident	93.1	Very high	39 Å²	39	50.3 Å²	50.3	27%	0.273	27%	0.265	S	S	.	.			trans	-100.6	119.7	176.6	176.2	0	0	0	0	110.9	W911 L916 I917 T918	W911-S914 PolarHBondContact O-N 2.85Å; S914-L916 PolarHBondContact O-N 2.84Å; S914-I917 PolarHBondContact O-N 3.48Å; S914-T918 WeakPolarHBondContact O-CB 3.4Å; S914-T918 PolarHBondContact O-N 3.45Å; S914-T918 PolarHBondContact O-OG1 3.35Å
915	T	92.4	Very high	93.2	Very high	119 Å²	119	51.6 Å²	51.6	73%	0.73	27%	0.274	S	S	*	.	H	α-helix	trans	-59.5	-33.1	177.6	56	0	0	0	0	112.6	H919	T915-H919 WeakPolarHBondContact O-CB 3.36Å; T915-H919 PolarHBondContact O-N 3.43Å
916	L	93.6	Very high	93.4	Very high	35 Å²	35	54.1 Å²	54.1	18%	0.183	29%	0.285	C	S	.	.	H	α-helix	trans	-72.9	-44.6	179	-60	178	0	0	0	111.9	F655 S914 H919 F920 L948 Q951 M952	F655-L916 HydrophobicContact CE1-CB 3.85Å; S914-L916 PolarHBondContact O-N 2.84Å; L916-H919 PolarHBondContact O-N 3.35Å; L916-F920 PolarHBondContact O-N 2.81Å; L916-L948 HydrophobicContact CB-CD2 4.45Å; L916-L948 HydrophobicContact CD2-CD2 3.97Å; L916-Q951 HydrophobicContact CD2-CB 3.78Å; L916-Q951 HydrophobicContact CD2-CG 4.39Å; L916-M952 HydrophobicContact CD1-CG 3.69Å
917	I	94.6	Very high	93.7	Very high	7 Å²	7	51.5 Å²	51.5	4%	0.036	26%	0.264	C	S	.	.	H	α-helix	trans	-67	-40.8	176.5	-60.4	-179.3	0	0	0	109.7	F655 L799 V802 L804 W911 S914 H919 F920 Y921	F655-I917 HydrophobicContact CD1-CG1 4.28Å; F655-I917 HydrophobicContact CD2-CG1 4Å; F655-I917 HydrophobicContact CE1-CG1 4.29Å; F655-I917 HydrophobicContact CE2-CG1 4.01Å; F655-I917 HydrophobicContact CG-CG1 4.15Å; F655-I917 HydrophobicContact CZ-CG1 4.16Å; L799-I917 HydrophobicContact CD1-CG2 4.03Å; L799-I917 HydrophobicContact CD2-CG2 4.27Å; L799-I917 HydrophobicContact CG-CG2 4.44Å; V802-I917 HydrophobicContact CG2-CD1 4.24Å; L804-I917 HydrophobicContact CD2-CD1 3.4Å; W911-I917 HydrophobicContact CB-CG2 3.62Å; W911-I917 HydrophobicContact CG-CG2 3.82Å; S914-I917 PolarHBondContact O-N 3.48Å; I917-H919 VanDerWaalsContact C-N 3.34Å; I917-H919 PolarHBondContact O-N 3.28Å; I917-F920 WeakPolarHBondContact O-CB 3.31Å; I917-F920 PolarHBondContact O-N 3.2Å; I917-Y921 PolarHBondContact O-N 2.9Å
918	T	94.8	Very high	94.1	Very high	33 Å²	33	50.9 Å²	50.9	20%	0.202	26%	0.257	C	S	.	.	H	α-helix	trans	-57.6	-43.3	173.6	-58.2	0	0	0	0	112.2	W911 F912 S914 Y921 R922	W911-T918 PolarHBondContact O-OG1 3.29Å; F912-T918 WeakPolarHBondContact CA-OG1 3.35Å; F912-T918 HydrophobicContact CD1-CG2 4.18Å; S914-T918 WeakPolarHBondContact O-CB 3.4Å; S914-T918 PolarHBondContact O-N 3.45Å; S914-T918 PolarHBondContact O-OG1 3.35Å; T918-Y921 PolarHBondContact O-N 3Å; T918-R922 WeakPolarHBondContact O-CB 3.47Å; T918-R922 PolarHBondContact O-N 3.47Å
919	H	96	Very high	94.5	Very high	58 Å²	58	50 Å²	50	27%	0.269	25%	0.254	S	S	.	.	H	α-helix	trans	-68.3	-36.6	177.9	-169.8	118.6	0	0	0	112	T915 L916 I917 R922 T923 L948	T915-H919 WeakPolarHBondContact O-CB 3.36Å; T915-H919 PolarHBondContact O-N 3.43Å; L916-H919 PolarHBondContact O-N 3.35Å; I917-H919 VanDerWaalsContact C-N 3.34Å; I917-H919 PolarHBondContact O-N 3.28Å; H919-R922 PolarHBondContact O-N 3.23Å; H919-T923 PolarHBondContact O-N 3.45Å; H919-T923 PolarHBondContact O-OG1 2.93Å; H919-L948 HydrophobicContact CB-CD2 3.88Å
920	F	97.4	Very high	94.7	Very high	1 Å²	1	48.5 Å²	48.5	0%	0.004	24%	0.24	C	C	.	.	H	α-helix	trans	-65.5	-47.1	173.2	-170.9	-108.9	0	0	0	111.2	F655 I658 L659 S662 L795 L799 L916 I917 R922 T923 I924 I945 L948	F655-F920 HydrophobicContact CE2-CB 4.06Å; F655-F920 HydrophobicContact CE2-CD1 4.02Å; F655-F920 HydrophobicContact CE2-CG 4.04Å; F655-F920 HydrophobicContact CZ-CB 3.86Å; F655-F920 HydrophobicContact CZ-CG 4.18Å; I658-F920 HydrophobicContact CG2-CE1 3.89Å; I658-F920 HydrophobicContact CG2-CZ 3.99Å; L659-F920 HydrophobicContact CD2-CD2 3.74Å; L659-F920 HydrophobicContact CD2-CE2 3.82Å; S662-F920 WeakPolarHBondContact OG-CZ 3.45Å; L795-F920 HydrophobicContact CB-CZ 4.35Å; L795-F920 HydrophobicContact CD2-CZ 4.07Å; L799-F920 HydrophobicContact CB-CE1 4.4Å; L799-F920 HydrophobicContact CD1-CD1 3.62Å; L799-F920 HydrophobicContact CD1-CE1 3.92Å; L799-F920 HydrophobicContact CD2-CD1 3.94Å; L799-F920 HydrophobicContact CD2-CE1 4.47Å; L799-F920 HydrophobicContact CG-CD1 4.28Å; L916-F920 PolarHBondContact O-N 2.81Å; I917-F920 WeakPolarHBondContact O-CB 3.31Å; I917-F920 PolarHBondContact O-N 3.2Å; F920-R922 VanDerWaalsContact C-N 3.34Å; F920-R922 PolarHBondContact O-N 3.29Å; F920-T923 WeakPolarHBondContact O-CA 3.41Å; F920-T923 VanDerWaalsContact O-CB 3.29Å; F920-T923 WeakPolarHBondContact O-CB 3.25Å; F920-T923 PolarHBondContact O-N 2.93Å; F920-I924 HydrophobicContact CD1-CD1 3.93Å; F920-I924 HydrophobicContact CE1-CD1 3.81Å; F920-I924 WeakPolarHBondContact O-CG1 3.38Å; F920-I924 PolarHBondContact O-N 2.92Å; F920-I945 HydrophobicContact CE2-CG1 4.18Å; F920-L948 HydrophobicContact CB-CD1 3.84Å; F920-L948 HydrophobicContact CD2-CD1 4.01Å; F920-L948 HydrophobicContact CG-CD1 4.41Å
921	Y	97.3	Very high	95	Very high	27 Å²	27	50.9 Å²	50.9	11%	0.106	25%	0.25	C	S	.	.	H	α-helix	trans	-62.9	-35.4	174.7	-175	-111.4	0	0	0	112.9	L799 G907 W911 F912 I917 T918 T923 I924 N925 W928	L799-Y921 HydrophobicContact CD2-CD2 4.17Å; G907-Y921 PolarHBondContact N-OH 2.8Å; G907-Y921 VanDerWaalsContact N-OH 3.12Å; W911-Y921 AromaticContact CE3-CD2 3.88Å; W911-Y921 HydrophobicContact CE3-CD2 3.88Å; W911-Y921 HydrophobicContact CE3-CE2 4.33Å; W911-Y921 HydrophobicContact CE3-CG 4.21Å; W911-Y921 AromaticContact CZ3-CD2 3.73Å; W911-Y921 HydrophobicContact CZ3-CD2 3.73Å; W911-Y921 AromaticContact CZ3-CE2 3.93Å; W911-Y921 HydrophobicContact CZ3-CE2 3.93Å; F912-Y921 AromaticContact CE1-CD1 3.85Å; F912-Y921 HydrophobicContact CE1-CD1 3.85Å; F912-Y921 HydrophobicContact CE1-CE1 4.16Å; F912-Y921 AromaticContact CZ-CD1 3.83Å; F912-Y921 HydrophobicContact CZ-CD1 3.83Å; F912-Y921 AromaticContact CZ-CE1 3.76Å; F912-Y921 HydrophobicContact CZ-CE1 3.76Å; I917-Y921 PolarHBondContact O-N 2.9Å; T918-Y921 PolarHBondContact O-N 3Å; Y921-T923 VanDerWaalsContact C-N 3.32Å; Y921-T923 PolarHBondContact O-N 3Å; Y921-I924 HydrophobicContact CD2-CD1 4.49Å; Y921-I924 WeakPolarHBondContact O-CB 3.35Å; Y921-I924 PolarHBondContact O-N 3.26Å; Y921-N925 WeakPolarHBondContact CD1-ND2 3.47Å; Y921-N925 WeakPolarHBondContact CE1-ND2 3.09Å; Y921-N925 VanDerWaalsContact CZ-ND2 3.32Å; Y921-N925 PolarHBondContact O-N 3.45Å; Y921-N925 PolarHBondContact O-ND2 3.12Å; Y921-W928 HydrophobicContact CE2-CH2 4.33Å; Y921-W928 HydrophobicContact CE2-CZ2 4.22Å
922	R	97.2	Very high	95	Very high	149 Å²	149	52.2 Å²	52.2	56%	0.562	26%	0.26	S	S	*	.	H	α-helix	trans	-61.3	-41.9	170.1	-176.8	179.7	-67	159.2	0.9	111.7	T918 H919 F920 I924 N925 E926	T918-R922 WeakPolarHBondContact O-CB 3.47Å; T918-R922 PolarHBondContact O-N 3.47Å; H919-R922 PolarHBondContact O-N 3.23Å; F920-R922 VanDerWaalsContact C-N 3.34Å; F920-R922 PolarHBondContact O-N 3.29Å; R922-I924 VanDerWaalsContact C-N 3.32Å; R922-I924 PolarHBondContact O-N 3.38Å; R922-N925 PolarHBondContact O-N 2.84Å; R922-N925 VanDerWaalsContact O-N 3.16Å; R922-E926 WeakPolarHBondContact CG-OE1 3.2Å; R922-E926 PolarHBondContact O-N 3.47Å; R922-E926 VanDerWaalsContact O-N 3.13Å
923	T	98	Very high	95	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.012	27%	0.273	C	S	.	.	H	α-helix	trans	-62	-40.8	175.6	-56	0	0	0	0	111.4	H919 F920 Y921 N925 E926 C927 L936 I941 R944	H919-T923 PolarHBondContact O-N 3.45Å; H919-T923 PolarHBondContact O-OG1 2.93Å; F920-T923 WeakPolarHBondContact O-CA 3.41Å; F920-T923 VanDerWaalsContact O-CB 3.29Å; F920-T923 WeakPolarHBondContact O-CB 3.25Å; F920-T923 PolarHBondContact O-N 2.93Å; Y921-T923 VanDerWaalsContact C-N 3.32Å; Y921-T923 PolarHBondContact O-N 3Å; T923-N925 VanDerWaalsContact C-N 3.35Å; T923-N925 PolarHBondContact O-N 2.77Å; T923-E926 PolarHBondContact O-N 2.75Å; T923-C927 PolarHBondContact O-N 3.03Å; T923-C927 VanDerWaalsContact O-N 3.13Å; T923-C927 PolarHBondContact O-SG 2.79Å; T923-L936 HydrophobicContact CG2-CD1 3.76Å; T923-I941 HydrophobicContact CG2-CG2 4.17Å; T923-R944 HydrophobicContact CG2-CB 4.36Å; T923-R944 VanDerWaalsContact OG1-CD 3.31Å; T923-R944 WeakPolarHBondContact OG1-CD 3.26Å; T923-R944 PolarHBondContact OG1-NH1 3.23Å
924	I	98.2	Very high	95.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.3	-45.2	172.4	-68.4	170.7	0	0	0	111.3	G792 L795 W796 L799 F920 Y921 R922 E926 C927 W928	G792-I924 WeakPolarHBondContact O-CG2 3.39Å; L795-I924 HydrophobicContact CB-CD1 3.94Å; L795-I924 HydrophobicContact CB-CG1 3.7Å; L795-I924 WeakPolarHBondContact O-CD1 3.44Å; W796-I924 HydrophobicContact CB-CD1 4.49Å; W796-I924 HydrophobicContact CB-CG2 4.18Å; L799-I924 HydrophobicContact CB-CD1 4.37Å; L799-I924 HydrophobicContact CD2-CD1 3.92Å; F920-I924 HydrophobicContact CD1-CD1 3.93Å; F920-I924 HydrophobicContact CE1-CD1 3.81Å; F920-I924 WeakPolarHBondContact O-CG1 3.38Å; F920-I924 PolarHBondContact O-N 2.92Å; Y921-I924 HydrophobicContact CD2-CD1 4.49Å; Y921-I924 WeakPolarHBondContact O-CB 3.35Å; Y921-I924 PolarHBondContact O-N 3.26Å; R922-I924 VanDerWaalsContact C-N 3.32Å; R922-I924 PolarHBondContact O-N 3.38Å; I924-E926 VanDerWaalsContact C-N 3.3Å; I924-E926 PolarHBondContact O-N 2.77Å; I924-C927 WeakPolarHBondContact O-CA 3.35Å; I924-C927 WeakPolarHBondContact O-CB 3.15Å; I924-C927 PolarHBondContact O-N 3.45Å; I924-W928 HydrophobicContact CG2-CD2 3.97Å; I924-W928 HydrophobicContact CG2-CE3 3.69Å; I924-W928 HydrophobicContact CG2-CH2 3.48Å; I924-W928 VanDerWaalsContact CG2-CH2 3.48Å; I924-W928 HydrophobicContact CG2-CZ2 3.74Å; I924-W928 HydrophobicContact CG2-CZ3 3.45Å; I924-W928 VanDerWaalsContact CG2-CZ3 3.45Å; I924-W928 PolarHBondContact O-N 2.81Å
925	N	97.4	Very high	95.7	Very high	56 Å²	56	47.6 Å²	47.6	30%	0.299	24%	0.244	S	C	.	.	H	α-helix	trans	-61	-38.2	179.3	-77.8	-76.9	0	0	0	113.2	Y921 R922 T923 C927 W928 D929	Y921-N925 WeakPolarHBondContact CD1-ND2 3.47Å; Y921-N925 WeakPolarHBondContact CE1-ND2 3.09Å; Y921-N925 VanDerWaalsContact CZ-ND2 3.32Å; Y921-N925 PolarHBondContact O-N 3.45Å; Y921-N925 PolarHBondContact O-ND2 3.12Å; R922-N925 PolarHBondContact O-N 2.84Å; R922-N925 VanDerWaalsContact O-N 3.16Å; T923-N925 VanDerWaalsContact C-N 3.35Å; T923-N925 PolarHBondContact O-N 2.77Å; N925-C927 VanDerWaalsContact C-N 3.27Å; N925-C927 PolarHBondContact O-N 3.36Å; N925-W928 VanDerWaalsContact O-CD1 3.28Å; N925-W928 PolarHBondContact OD1-NE1 3.44Å; N925-D929 PolarHBondContact O-N 2.79Å
926	E	98	Very high	95.9	Very high	53 Å²	53	42.8 Å²	42.8	25%	0.248	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-6.6	174.2	-62.7	170.9	-117.1	0	0	113.4	R922 T923 I924 R935 L936 R944	R922-E926 WeakPolarHBondContact CG-OE1 3.2Å; R922-E926 PolarHBondContact O-N 3.47Å; R922-E926 VanDerWaalsContact O-N 3.13Å; T923-E926 PolarHBondContact O-N 2.75Å; I924-E926 VanDerWaalsContact C-N 3.3Å; I924-E926 PolarHBondContact O-N 2.77Å; E926-R935 VanDerWaalsContact O-CA 3.3Å; E926-R935 WeakPolarHBondContact O-CA 3.2Å; E926-L936 HydrophobicContact CB-CD1 3.76Å; E926-L936 HydrophobicContact CB-CD2 4.36Å; E926-L936 HydrophobicContact CB-CG 3.76Å; E926-L936 PolarHBondContact O-N 3.02Å; E926-R944 IonicContact OE1-CZ 2.66Å; E926-R944 IonicContact OE1-NH1 2.69Å; E926-R944 PolarHBondContact OE1-NH1 3.2Å; E926-R944 IonicContact OE1-NH2 3.15Å; E926-R944 IonicContact OE2-CZ 2.71Å; E926-R944 VanDerWaalsContact OE2-CZ 3.28Å; E926-R944 IonicContact OE2-NH1 3Å; E926-R944 PolarHBondContact OE2-NH1 3.14Å; E926-R944 VanDerWaalsContact OE2-NH1 3.12Å; E926-R944 IonicContact OE2-NH2 3.96Å; E926-R944 PolarHBondContact OE2-NH2 3.24Å
927	C	98	Very high	96	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-40.5	170.9	-64.2	0	0	0	0	111.5	I788 Y789 T923 I924 N925 R935 I941	I788-C927 HydrophobicContact CG2-CB 4.07Å; Y789-C927 WeakPolarHBondContact CA-O 3.31Å; T923-C927 PolarHBondContact O-N 3.03Å; T923-C927 VanDerWaalsContact O-N 3.13Å; T923-C927 PolarHBondContact O-SG 2.79Å; I924-C927 WeakPolarHBondContact O-CA 3.35Å; I924-C927 WeakPolarHBondContact O-CB 3.15Å; I924-C927 PolarHBondContact O-N 3.45Å; N925-C927 VanDerWaalsContact C-N 3.27Å; N925-C927 PolarHBondContact O-N 3.36Å; C927-R935 VanDerWaalsContact O-CD 3.28Å; C927-R935 WeakPolarHBondContact O-CD 3.43Å; C927-R935 WeakPolarHBondContact O-CG 3.04Å; C927-I941 WeakPolarHBondContact SG-CD1 3.42Å
928	W	96.9	Very high	96.1	Very high	4 Å²	4	44 Å²	44	2%	0.015	22%	0.223	C	C	.	.	S	Bend	trans	-98.5	20.4	-175.8	64.3	32.6	0	0	0	114.6	Y789 L793 W796 R904 P905 Y921 I924 N925	Y789-W928 HydrophobicContact CD2-CB 3.81Å; Y789-W928 HydrophobicContact CE2-CB 3.99Å; L793-W928 HydrophobicContact CD2-CE3 3.7Å; L793-W928 HydrophobicContact CD2-CZ3 3.97Å; L793-W928 HydrophobicContact CG-CE3 4.33Å; W796-W928 HydrophobicContact CB-CH2 3.84Å; W796-W928 HydrophobicContact CB-CZ3 3.51Å; W796-W928 AromaticContact CD1-CH2 3.64Å; W796-W928 AromaticContact CG-CH2 3.82Å; W796-W928 HydrophobicContact CG-CH2 3.82Å; W796-W928 AromaticContact CG-CZ3 3.88Å; W796-W928 HydrophobicContact CG-CZ3 3.88Å; R904-W928 HydrophobicContact CB-CD2 4.31Å; R904-W928 HydrophobicContact CB-CZ2 3.93Å; R904-W928 HydrophobicContact CG-CD2 4.35Å; R904-W928 HydrophobicContact CG-CG 4.15Å; R904-W928 PolarHBondContact NE-O 3.39Å; R904-W928 PolarHBondContact NH2-O 3.37Å; R904-W928 VanDerWaalsContact NH2-O 3.1Å; P905-W928 HydrophobicContact CB-CH2 4.35Å; P905-W928 HydrophobicContact CG-CH2 4.5Å; P905-W928 HydrophobicContact CG-CZ3 4.36Å; P905-W928 WeakPolarHBondContact O-CH2 3.31Å; Y921-W928 HydrophobicContact CE2-CH2 4.33Å; Y921-W928 HydrophobicContact CE2-CZ2 4.22Å; I924-W928 HydrophobicContact CG2-CD2 3.97Å; I924-W928 HydrophobicContact CG2-CE3 3.69Å; I924-W928 HydrophobicContact CG2-CH2 3.48Å; I924-W928 VanDerWaalsContact CG2-CH2 3.48Å; I924-W928 HydrophobicContact CG2-CZ2 3.74Å; I924-W928 HydrophobicContact CG2-CZ3 3.45Å; I924-W928 VanDerWaalsContact CG2-CZ3 3.45Å; I924-W928 PolarHBondContact O-N 2.81Å; N925-W928 VanDerWaalsContact O-CD1 3.28Å; N925-W928 PolarHBondContact OD1-NE1 3.44Å
929	D	97.1	Very high	96	Very high	63 Å²	63	46.4 Å²	46.4	34%	0.337	24%	0.235	S	C	.	.			trans	-50.8	143.8	178.8	-156.4	-55.3	0	0	0	110.9	N925 D931 A934 R935	N925-D929 PolarHBondContact O-N 2.79Å; D929-D931 VanDerWaalsContact C-N 3.27Å; D929-D931 PolarHBondContact O-N 3.37Å; D929-D931 PolarHBondContact OD1-N 3.04Å; D929-A934 HydrophobicContact CB-CB 4.27Å; D929-R935 HydrophobicContact CB-CG 4.04Å; D929-R935 PolarHBondContact O-NE 2.85Å; D929-R935 PolarHBondContact O-NH2 2.74Å; D929-R935 VanDerWaalsContact O-NH2 3.15Å
930	H	94.5	Very high	96.1	Very high	60 Å²	60	46 Å²	46	28%	0.278	24%	0.238	S	C	.	.	S	Bend	trans	-64.1	-36.6	177.3	179.1	94.4	0	0	0	110.7	C899 K902 P932	C899-H930 PolarHBondContact O-CE1 2.68Å; K902-H930 HydrophobicContact CD-CB 4.45Å; K902-H930 WeakPolarHBondContact CE-NE2 3.45Å; K902-H930 PolarHBondContact NZ-CD2 2.99Å; K902-H930 VanDerWaalsContact NZ-CD2 3.29Å; K902-H930 PolarHBondContact NZ-NE2 2.92Å; H930-P932 WeakPolarHBondContact O-CD 3.5Å
931	D	92.6	Very high	96.1	Very high	77 Å²	77	46 Å²	46	41%	0.412	24%	0.238	S	C	.	.	S	Bend	trans	-79.7	118.1	171.3	178.5	-0	0	0	0	110.6	D929 E933 A934	D929-D931 VanDerWaalsContact C-N 3.27Å; D929-D931 PolarHBondContact O-N 3.37Å; D929-D931 PolarHBondContact OD1-N 3.04Å; D931-E933 VanDerWaalsContact C-N 3.27Å; D931-E933 PolarHBondContact O-N 3.43Å; D931-E933 WeakPolarHBondContact OD1-CB 3.08Å; D931-E933 PolarHBondContact OD1-N 3.18Å; D931-A934 HydrophobicContact CB-CB 3.92Å; D931-A934 PolarHBondContact O-N 3.37Å
932	P	92.2	Very high	96.1	Very high	38 Å²	38	45.4 Å²	45.4	25%	0.247	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-27.1	177.2	27.2	-34.9	0	0	0	113.8	R785 H930	R785-P932 HydrophobicContact CB-CB 3.88Å; R785-P932 WeakPolarHBondContact CD-O 3.45Å; R785-P932 HydrophobicContact CG-CB 4.25Å; R785-P932 VanDerWaalsContact CG-O 3.24Å; R785-P932 WeakPolarHBondContact CG-O 3.27Å; R785-P932 PolarHBondContact NE-O 3.38Å; H930-P932 WeakPolarHBondContact O-CD 3.5Å
933	E	90.6	Very high	96.1	Very high	162 Å²	162	44 Å²	44	76%	0.757	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-36.2	178.2	-63.6	-161.5	167	0	0	111.9	R785 D931 R935	R785-E933 PolarHBondContact NH2-O 2.99Å; D931-E933 VanDerWaalsContact C-N 3.27Å; D931-E933 PolarHBondContact O-N 3.43Å; D931-E933 WeakPolarHBondContact OD1-CB 3.08Å; D931-E933 PolarHBondContact OD1-N 3.18Å; E933-R935 PolarHBondContact O-N 2.81Å
934	A	95	Very high	96.1	Very high	50 Å²	50	47 Å²	47	41%	0.413	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.8	176.9	0	0	0	0	0	113.8	D929 D931	D929-A934 HydrophobicContact CB-CB 4.27Å; D931-A934 HydrophobicContact CB-CB 3.92Å; D931-A934 PolarHBondContact O-N 3.37Å
935	R	97	Very high	96.1	Very high	5 Å²	5	47 Å²	47	2%	0.019	25%	0.246	C	C	.	.	S	Bend	trans	-60.8	149.9	-178.3	-62.7	178.7	-165.2	146.6	15.6	112.3	E770 R785 I788 E926 C927 D929 E933	E770-R935 IonicContact OE1-CZ 3.09Å; E770-R935 IonicContact OE1-NH1 2.72Å; E770-R935 PolarHBondContact OE1-NH1 3.43Å; E770-R935 IonicContact OE1-NH2 3.37Å; E770-R935 PolarHBondContact OE1-NH2 2.72Å; E770-R935 IonicContact OE2-CZ 3.39Å; E770-R935 IonicContact OE2-NH1 3.12Å; E770-R935 IonicContact OE2-NH2 2.77Å; E770-R935 PolarHBondContact OE2-NH2 3.45Å; R785-R935 PolarHBondContact NH1-O 3.06Å; R785-R935 PolarHBondContact NH2-O 3.25Å; R785-R935 WeakPolarHBondContact O-CD 3.44Å; R785-R935 PolarHBondContact O-NH1 2.82Å; I788-R935 HydrophobicContact CG2-CB 4.1Å; E926-R935 VanDerWaalsContact O-CA 3.3Å; E926-R935 WeakPolarHBondContact O-CA 3.2Å; C927-R935 VanDerWaalsContact O-CD 3.28Å; C927-R935 WeakPolarHBondContact O-CD 3.43Å; C927-R935 WeakPolarHBondContact O-CG 3.04Å; D929-R935 HydrophobicContact CB-CG 4.04Å; D929-R935 PolarHBondContact O-NE 2.85Å; D929-R935 PolarHBondContact O-NH2 2.74Å; D929-R935 VanDerWaalsContact O-NH2 3.15Å; E933-R935 PolarHBondContact O-N 2.81Å
936	L	96.9	Very high	96	Very high	18 Å²	18	49.9 Å²	49.9	9%	0.094	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-66.8	158.6	173.3	-63.8	174.4	0	0	0	112.6	R785 I788 T923 E926 C940 I941	R785-L936 VanDerWaalsContact NH1-C 3.26Å; R785-L936 PolarHBondContact NH1-O 3.49Å; I788-L936 WeakPolarHBondContact CG1-O 3.45Å; I788-L936 WeakPolarHBondContact CG2-O 3.35Å; T923-L936 HydrophobicContact CG2-CD1 3.76Å; E926-L936 HydrophobicContact CB-CD1 3.76Å; E926-L936 HydrophobicContact CB-CD2 4.36Å; E926-L936 HydrophobicContact CB-CG 3.76Å; E926-L936 PolarHBondContact O-N 3.02Å; L936-C940 HydrophobicContact CB-CB 4.43Å; L936-C940 HydrophobicContact CD2-CB 4.28Å; L936-I941 HydrophobicContact CB-CD1 4.05Å; L936-I941 HydrophobicContact CB-CG1 3.61Å; L936-I941 HydrophobicContact CD1-CG1 3.87Å; L936-I941 HydrophobicContact CG-CG1 4.41Å
937	T	96.3	Very high	95.9	Very high	64 Å²	64	52.4 Å²	52.4	39%	0.393	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-90.1	156.7	164.3	63.9	0	0	0	0	109.7	D939 C940 I941	T937-D939 PolarHBondContact O-N 3.45Å; T937-C940 WeakPolarHBondContact O-CB 3.46Å; T937-C940 PolarHBondContact O-N 2.87Å; T937-C940 PolarHBondContact OG1-N 2.8Å; T937-C940 PolarHBondContact OG1-SG 3.33Å; T937-C940 VanDerWaalsContact OG1-SG 3.38Å; T937-I941 WeakPolarHBondContact O-CG1 3.11Å; T937-I941 PolarHBondContact O-N 3.23Å
938	A	96	Very high	95.8	Very high	3 Å²	3	52.5 Å²	52.5	3%	0.025	26%	0.264	C	S	.	.	H	α-helix	trans	-53.6	-40.4	176.5	0	0	0	0	0	112.6	V666 L669 I788 C940 I941 L942	V666-A938 HydrophobicContact CG1-CB 4.3Å; V666-A938 WeakPolarHBondContact CG1-O 3.48Å; L669-A938 HydrophobicContact CG-CB 4.48Å; I788-A938 HydrophobicContact CD1-CB 4.22Å; A938-C940 PolarHBondContact O-N 3.28Å; A938-I941 PolarHBondContact O-N 3.46Å; A938-L942 VanDerWaalsContact O-CB 3.31Å; A938-L942 WeakPolarHBondContact O-CB 3.19Å; A938-L942 PolarHBondContact O-N 2.95Å
939	D	94.1	Very high	95.6	Very high	84 Å²	84	55 Å²	55	45%	0.449	28%	0.275	S	S	.	.	H	α-helix	trans	-65	-35.2	176	-177.4	55.6	0	0	0	113.2	T937 K943	T937-D939 PolarHBondContact O-N 3.45Å; D939-K943 WeakPolarHBondContact O-CD 3.46Å; D939-K943 VanDerWaalsContact O-CG 3.29Å; D939-K943 WeakPolarHBondContact O-CG 3.46Å; D939-K943 PolarHBondContact O-N 2.82Å; D939-K943 VanDerWaalsContact O-N 3.14Å; D939-K943 WeakPolarHBondContact OD1-CE 3.16Å; D939-K943 IonicContact OD1-NZ 2.7Å; D939-K943 WeakPolarHBondContact OD2-CE 3.3Å; D939-K943 IonicContact OD2-NZ 3.26Å; D939-K943 PolarHBondContact OD2-NZ 2.85Å
940	C	96.9	Very high	95.3	Very high	50 Å²	50	53.5 Å²	53.5	34%	0.338	27%	0.274	S	S	.	.	H	α-helix	trans	-68	-42.7	172.5	-75.6	0	0	0	0	112.3	L936 T937 A938 L942 K943 R944	L936-C940 HydrophobicContact CB-CB 4.43Å; L936-C940 HydrophobicContact CD2-CB 4.28Å; T937-C940 WeakPolarHBondContact O-CB 3.46Å; T937-C940 PolarHBondContact O-N 2.87Å; T937-C940 PolarHBondContact OG1-N 2.8Å; T937-C940 PolarHBondContact OG1-SG 3.33Å; T937-C940 VanDerWaalsContact OG1-SG 3.38Å; A938-C940 PolarHBondContact O-N 3.28Å; C940-L942 VanDerWaalsContact C-N 3.34Å; C940-K943 PolarHBondContact O-N 2.82Å; C940-R944 WeakPolarHBondContact O-CG 3.21Å; C940-R944 PolarHBondContact O-N 3.41Å
941	I	98.3	Very high	95.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.4	-45	176.2	-60.1	164.2	0	0	0	109.7	V666 I788 L791 L795 T923 C927 L936 T937 A938 K943 R944 I945	V666-I941 HydrophobicContact CG1-CB 3.99Å; V666-I941 HydrophobicContact CG1-CG2 4.03Å; V666-I941 HydrophobicContact CG2-CG2 3.9Å; I788-I941 HydrophobicContact CD1-CD1 3.98Å; I788-I941 HydrophobicContact CG2-CD1 4.13Å; L791-I941 HydrophobicContact CD2-CD1 3.66Å; L795-I941 HydrophobicContact CD1-CG2 4.33Å; T923-I941 HydrophobicContact CG2-CG2 4.17Å; C927-I941 WeakPolarHBondContact SG-CD1 3.42Å; L936-I941 HydrophobicContact CB-CD1 4.05Å; L936-I941 HydrophobicContact CB-CG1 3.61Å; L936-I941 HydrophobicContact CD1-CG1 3.87Å; L936-I941 HydrophobicContact CG-CG1 4.41Å; T937-I941 WeakPolarHBondContact O-CG1 3.11Å; T937-I941 PolarHBondContact O-N 3.23Å; A938-I941 PolarHBondContact O-N 3.46Å; I941-K943 PolarHBondContact O-N 3.34Å; I941-R944 WeakPolarHBondContact O-CB 3.13Å; I941-R944 PolarHBondContact O-N 2.79Å; I941-R944 VanDerWaalsContact O-N 3.09Å; I941-I945 HydrophobicContact CG2-CD1 3.77Å; I941-I945 HydrophobicContact CG2-CG1 4.36Å; I941-I945 WeakPolarHBondContact O-CG1 3.32Å; I941-I945 PolarHBondContact O-N 2.88Å
942	L	97	Very high	94.8	Very high	16 Å²	16	50.8 Å²	50.8	8%	0.084	26%	0.26	C	S	.	.	H	α-helix	trans	-58.7	-44.3	179.7	-171.2	57.3	0	0	0	112.3	D663 V666 Q667 A938 C940 R944 I945 R946	D663-L942 WeakPolarHBondContact OD2-CD1 3.48Å; V666-L942 HydrophobicContact CB-CD1 4.46Å; V666-L942 HydrophobicContact CG1-CB 3.84Å; V666-L942 HydrophobicContact CG1-CD1 4.35Å; Q667-L942 HydrophobicContact CG-CD1 3.73Å; Q667-L942 HydrophobicContact CG-CD2 3.95Å; A938-L942 VanDerWaalsContact O-CB 3.31Å; A938-L942 WeakPolarHBondContact O-CB 3.19Å; A938-L942 PolarHBondContact O-N 2.95Å; C940-L942 VanDerWaalsContact C-N 3.34Å; L942-R944 VanDerWaalsContact C-N 3.32Å; L942-R944 PolarHBondContact O-N 3.15Å; L942-I945 PolarHBondContact O-N 2.93Å; L942-R946 HydrophobicContact CD1-CG 4.47Å; L942-R946 WeakPolarHBondContact O-CB 3.5Å; L942-R946 VanDerWaalsContact O-CG 3.28Å; L942-R946 WeakPolarHBondContact O-CG 3.12Å; L942-R946 PolarHBondContact O-N 2.94Å
943	K	97.2	Very high	94.1	Very high	120 Å²	120	52.5 Å²	52.5	52%	0.522	27%	0.267	S	S	.	.	H	α-helix	trans	-60.5	-39.9	175.7	-72.8	165.9	-167.6	165.8	0	112.2	D939 C940 I941 F947	D939-K943 WeakPolarHBondContact O-CD 3.46Å; D939-K943 VanDerWaalsContact O-CG 3.29Å; D939-K943 WeakPolarHBondContact O-CG 3.46Å; D939-K943 PolarHBondContact O-N 2.82Å; D939-K943 VanDerWaalsContact O-N 3.14Å; D939-K943 WeakPolarHBondContact OD1-CE 3.16Å; D939-K943 IonicContact OD1-NZ 2.7Å; D939-K943 WeakPolarHBondContact OD2-CE 3.3Å; D939-K943 IonicContact OD2-NZ 3.26Å; D939-K943 PolarHBondContact OD2-NZ 2.85Å; C940-K943 PolarHBondContact O-N 2.82Å; I941-K943 PolarHBondContact O-N 3.34Å; K943-F947 WeakPolarHBondContact O-CB 3.22Å; K943-F947 PolarHBondContact O-N 3.2Å
944	R	97.7	Very high	93.5	Very high	63 Å²	63	51.1 Å²	51.1	24%	0.238	26%	0.258	C	S	.	.	H	α-helix	trans	-69	-45.4	177.3	-67.4	179.9	-177.4	-159	4.5	112.1	T923 E926 C940 I941 L942 R946 F947 L948	T923-R944 HydrophobicContact CG2-CB 4.36Å; T923-R944 VanDerWaalsContact OG1-CD 3.31Å; T923-R944 WeakPolarHBondContact OG1-CD 3.26Å; T923-R944 PolarHBondContact OG1-NH1 3.23Å; E926-R944 IonicContact OE1-CZ 2.66Å; E926-R944 IonicContact OE1-NH1 2.69Å; E926-R944 PolarHBondContact OE1-NH1 3.2Å; E926-R944 IonicContact OE1-NH2 3.15Å; E926-R944 IonicContact OE2-CZ 2.71Å; E926-R944 VanDerWaalsContact OE2-CZ 3.28Å; E926-R944 IonicContact OE2-NH1 3Å; E926-R944 PolarHBondContact OE2-NH1 3.14Å; E926-R944 VanDerWaalsContact OE2-NH1 3.12Å; E926-R944 IonicContact OE2-NH2 3.96Å; E926-R944 PolarHBondContact OE2-NH2 3.24Å; C940-R944 WeakPolarHBondContact O-CG 3.21Å; C940-R944 PolarHBondContact O-N 3.41Å; I941-R944 WeakPolarHBondContact O-CB 3.13Å; I941-R944 PolarHBondContact O-N 2.79Å; I941-R944 VanDerWaalsContact O-N 3.09Å; L942-R944 VanDerWaalsContact C-N 3.32Å; L942-R944 PolarHBondContact O-N 3.15Å; R944-R946 VanDerWaalsContact C-N 3.33Å; R944-R946 PolarHBondContact O-N 3.16Å; R944-F947 WeakPolarHBondContact O-CB 3.27Å; R944-F947 PolarHBondContact O-N 3.23Å; R944-L948 WeakPolarHBondContact O-CG 3.35Å; R944-L948 PolarHBondContact O-N 2.94Å
945	I	97.6	Very high	92.2	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-57.5	-47.2	174.7	-69.2	168.9	0	0	0	110.5	L659 D663 V666 F920 I941 L942 F947 L948 K949	L659-I945 HydrophobicContact CD2-CG2 4.2Å; D663-I945 HydrophobicContact CB-CG2 3.78Å; V666-I945 HydrophobicContact CB-CD1 4.3Å; V666-I945 HydrophobicContact CG2-CD1 3.84Å; F920-I945 HydrophobicContact CE2-CG1 4.18Å; I941-I945 HydrophobicContact CG2-CD1 3.77Å; I941-I945 HydrophobicContact CG2-CG1 4.36Å; I941-I945 WeakPolarHBondContact O-CG1 3.32Å; I941-I945 PolarHBondContact O-N 2.88Å; L942-I945 PolarHBondContact O-N 2.93Å; I945-F947 PolarHBondContact O-N 3.2Å; I945-L948 PolarHBondContact O-N 3.3Å; I945-K949 HydrophobicContact CG2-CD 3.95Å; I945-K949 HydrophobicContact CG2-CG 4.47Å; I945-K949 WeakPolarHBondContact O-CG 3.36Å; I945-K949 PolarHBondContact O-N 3.48Å
946	R	96.5	Very high	90.5	Very high	117 Å²	117	56.9 Å²	56.9	44%	0.442	28%	0.279	S	S	.	.	H	α-helix	trans	-65.9	-35.4	178.3	-70.5	173.3	175.7	-176.9	-7.8	113	D663 Q667 L942 R944 G950	D663-R946 VanDerWaalsContact OD2-CG 3.23Å; D663-R946 WeakPolarHBondContact OD2-CG 3.28Å; D663-R946 IonicContact OD2-NE 3.29Å; D663-R946 PolarHBondContact OD2-NE 3.42Å; D663-R946 VanDerWaalsContact OD2-NE 3.09Å; Q667-R946 VanDerWaalsContact CD-NH2 3.29Å; L942-R946 HydrophobicContact CD1-CG 4.47Å; L942-R946 WeakPolarHBondContact O-CB 3.5Å; L942-R946 VanDerWaalsContact O-CG 3.28Å; L942-R946 WeakPolarHBondContact O-CG 3.12Å; L942-R946 PolarHBondContact O-N 2.94Å; R944-R946 VanDerWaalsContact C-N 3.33Å; R944-R946 PolarHBondContact O-N 3.16Å; R946-G950 PolarHBondContact O-N 2.89Å
947	F	96.2	Very high	88.5	Confident	106 Å²	106	62.3 Å²	62.3	47%	0.465	30%	0.302	S	S	.	.	H	α-helix	trans	-60.4	-46.8	170.3	175.5	-95.8	0	0	0	111.4	K943 R944 I945 G950 Q951	K943-F947 WeakPolarHBondContact O-CB 3.22Å; K943-F947 PolarHBondContact O-N 3.2Å; R944-F947 WeakPolarHBondContact O-CB 3.27Å; R944-F947 PolarHBondContact O-N 3.23Å; I945-F947 PolarHBondContact O-N 3.2Å; F947-G950 CarbonylContact O-C 3.5Å; F947-G950 WeakPolarHBondContact O-CA 3.44Å; F947-G950 PolarHBondContact O-N 2.88Å; F947-G950 VanDerWaalsContact O-N 3.1Å; F947-Q951 HydrophobicContact CD1-CG 4.29Å; F947-Q951 HydrophobicContact CE1-CG 3.94Å; F947-Q951 VanDerWaalsContact CE2-NE2 3.26Å; F947-Q951 HydrophobicContact CZ-CG 4.11Å; F947-Q951 WeakPolarHBondContact O-CG 3.49Å; F947-Q951 PolarHBondContact O-N 3.32Å
948	L	95.2	Very high	86.2	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-63.6	-44.3	177.5	-65.4	171.8	0	0	0	112.5	L659 L916 H919 F920 R944 I945 G950 Q951 M952	L659-L948 HydrophobicContact CD1-CB 3.93Å; L659-L948 HydrophobicContact CD2-CB 4.23Å; L659-L948 HydrophobicContact CD2-CD1 4.26Å; L916-L948 HydrophobicContact CB-CD2 4.45Å; L916-L948 HydrophobicContact CD2-CD2 3.97Å; H919-L948 HydrophobicContact CB-CD2 3.88Å; F920-L948 HydrophobicContact CB-CD1 3.84Å; F920-L948 HydrophobicContact CD2-CD1 4.01Å; F920-L948 HydrophobicContact CG-CD1 4.41Å; R944-L948 WeakPolarHBondContact O-CG 3.35Å; R944-L948 PolarHBondContact O-N 2.94Å; I945-L948 PolarHBondContact O-N 3.3Å; L948-G950 PolarHBondContact O-N 3.21Å; L948-Q951 PolarHBondContact O-N 2.96Å; L948-Q951 VanDerWaalsContact O-N 3.11Å; L948-M952 PolarHBondContact O-N 3.19Å
949	K	93.5	Very high	83.5	Confident	56 Å²	56	72 Å²	72	24%	0.243	36%	0.358	C	S	.	.	H	α-helix	trans	-56	-39.3	170.9	-68.5	171.4	76	162.7	0	111.1	L659 D663 I945 N953	L659-K949 HydrophobicContact CB-CD 4.25Å; L659-K949 HydrophobicContact CB-CG 3.78Å; L659-K949 HydrophobicContact CD1-CG 4Å; L659-K949 HydrophobicContact CG-CG 4.45Å; D663-K949 HydrophobicContact CB-CD 4.13Å; D663-K949 VanDerWaalsContact CB-NZ 3.3Å; D663-K949 IonicContact OD1-NZ 3.57Å; D663-K949 PolarHBondContact OD1-NZ 3.21Å; I945-K949 HydrophobicContact CG2-CD 3.95Å; I945-K949 HydrophobicContact CG2-CG 4.47Å; I945-K949 WeakPolarHBondContact O-CG 3.36Å; I945-K949 PolarHBondContact O-N 3.48Å; K949-N953 PolarHBondContact O-N 3.3Å; K949-N953 PolarHBondContact O-ND2 3.42Å; K949-N953 VanDerWaalsContact O-ND2 3.1Å
950	G	91.1	Very high	83	Confident	32 Å²	32	71.4 Å²	71.4	33%	0.33	35%	0.354	S	S	.	.	H	α-helix	trans	-63.6	-42.3	174.4	0	0	0	0	0	113.8	R946 F947 L948 N953 K954	R946-G950 PolarHBondContact O-N 2.89Å; F947-G950 CarbonylContact O-C 3.5Å; F947-G950 WeakPolarHBondContact O-CA 3.44Å; F947-G950 PolarHBondContact O-N 2.88Å; F947-G950 VanDerWaalsContact O-N 3.1Å; L948-G950 PolarHBondContact O-N 3.21Å; G950-N953 PolarHBondContact O-N 2.71Å; G950-K954 PolarHBondContact O-N 3.42Å
951	Q	90.1	Very high	82.3	Confident	54 Å²	54	72.5 Å²	72.5	25%	0.252	36%	0.355	S	S	.	.	H	α-helix	trans	-69.3	-42.8	177.3	-60.9	-61.1	-5.5	0	0	112.1	L916 F947 L948 N953 K954 T955	L916-Q951 HydrophobicContact CD2-CB 3.78Å; L916-Q951 HydrophobicContact CD2-CG 4.39Å; F947-Q951 HydrophobicContact CD1-CG 4.29Å; F947-Q951 HydrophobicContact CE1-CG 3.94Å; F947-Q951 VanDerWaalsContact CE2-NE2 3.26Å; F947-Q951 HydrophobicContact CZ-CG 4.11Å; F947-Q951 WeakPolarHBondContact O-CG 3.49Å; F947-Q951 PolarHBondContact O-N 3.32Å; L948-Q951 PolarHBondContact O-N 2.96Å; L948-Q951 VanDerWaalsContact O-N 3.11Å; Q951-N953 PolarHBondContact O-N 3.04Å; Q951-K954 WeakPolarHBondContact O-CA 3.26Å; Q951-K954 WeakPolarHBondContact O-CB 3.24Å; Q951-K954 PolarHBondContact O-N 3.48Å; Q951-T955 PolarHBondContact O-N 2.75Å; Q951-T955 VanDerWaalsContact O-N 3.12Å
952	M	84.7	Confident	81.4	Confident	27 Å²	27	76.5 Å²	76.5	13%	0.133	37%	0.374	C	S	.	.	H	α-helix	trans	-61.1	-29.5	175	-69.7	-170.6	79.8	0	0	113.6	F655 T656 L659 L916 L948 K954 T955 K956	F655-M952 HydrophobicContact CB-CE 4.37Å; F655-M952 HydrophobicContact CD1-CE 3.94Å; F655-M952 HydrophobicContact CD1-SD 3.5Å; F655-M952 VanDerWaalsContact CD1-SD 3.5Å; F655-M952 HydrophobicContact CE1-SD 3.97Å; F655-M952 HydrophobicContact CG-SD 4.47Å; T656-M952 VanDerWaalsContact OG1-CE 3.29Å; T656-M952 WeakPolarHBondContact OG1-CE 3.48Å; L659-M952 HydrophobicContact CD1-SD 3.55Å; L659-M952 VanDerWaalsContact CD1-SD 3.55Å; L916-M952 HydrophobicContact CD1-CG 3.69Å; L948-M952 PolarHBondContact O-N 3.19Å; M952-K954 VanDerWaalsContact C-N 3.3Å; M952-T955 PolarHBondContact O-OG1 3.07Å; M952-K956 WeakPolarHBondContact O-CG 3.4Å; M952-K956 PolarHBondContact O-N 3.42Å
953	N	79.4	Confident	80.5	Confident	74 Å²	74	80.1 Å²	80.1	40%	0.396	39%	0.392	S	S	.	.	H	α-helix	trans	-79.3	-11.3	174.6	-76.5	-35.7	0	0	0	113.4	K414 K949 G950 Q951 K957	K414-N953 PolarHBondContact NZ-OD1 3.24Å; K949-N953 PolarHBondContact O-N 3.3Å; K949-N953 PolarHBondContact O-ND2 3.42Å; K949-N953 VanDerWaalsContact O-ND2 3.1Å; G950-N953 PolarHBondContact O-N 2.71Å; Q951-N953 PolarHBondContact O-N 3.04Å; N953-K957 WeakPolarHBondContact O-CG 3.34Å
954	K	77.6	Confident	79.4	Confident	132 Å²	132	77.6 Å²	77.6	57%	0.574	38%	0.383	S	S	*	.	H	α-helix	trans	-89.3	-42	171.8	-71.3	173.2	179.3	178.1	0	111.8	G950 Q951 M952 K957 S958	G950-K954 PolarHBondContact O-N 3.42Å; Q951-K954 WeakPolarHBondContact O-CA 3.26Å; Q951-K954 WeakPolarHBondContact O-CB 3.24Å; Q951-K954 PolarHBondContact O-N 3.48Å; M952-K954 VanDerWaalsContact C-N 3.3Å; K954-K957 PolarHBondContact O-N 2.73Å; K954-S958 PolarHBondContact O-N 3.01Å; K954-S958 VanDerWaalsContact O-N 3.16Å
955	T	66.7	Low	78.2	Confident	63 Å²	63	78.5 Å²	78.5	39%	0.387	39%	0.393	S	S	.	.	H	α-helix	trans	-61.9	-46.4	176.7	57.7	0	0	0	0	110.8	Q951 M952 K957 S958 D959	Q951-T955 PolarHBondContact O-N 2.75Å; Q951-T955 VanDerWaalsContact O-N 3.12Å; M952-T955 PolarHBondContact O-OG1 3.07Å; T955-K957 PolarHBondContact O-N 2.65Å; T955-S958 WeakPolarHBondContact CA-OG 3.49Å; T955-S958 PolarHBondContact O-N 2.95Å; T955-S958 PolarHBondContact O-OG 3.29Å; T955-D959 PolarHBondContact O-N 2.98Å
956	K	61.1	Low	76.8	Confident	114 Å²	114	84.1 Å²	84.1	50%	0.496	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	14.5	170.7	-65.4	-174.4	172.6	-173.4	0	115.8	M952	M952-K956 WeakPolarHBondContact O-CG 3.4Å; M952-K956 PolarHBondContact O-N 3.42Å
957	K	56	Low	75.3	Confident	132 Å²	132	81.5 Å²	81.5	57%	0.574	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.1	-9.6	171.8	-74.3	-171.2	173	-165.4	0	112.7	R411 N953 K954 T955	R411-K957 PolarHBondContact O-NZ 3.11Å; N953-K957 WeakPolarHBondContact O-CG 3.34Å; K954-K957 PolarHBondContact O-N 2.73Å; T955-K957 PolarHBondContact O-N 2.65Å
958	S	46.8	Very low	73.5	Confident	96 Å²	96	79.5 Å²	79.5	67%	0.671	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-30.6	166.2	53.4	0	0	0	0	111.6	K954 T955	K954-S958 PolarHBondContact O-N 3.01Å; K954-S958 VanDerWaalsContact O-N 3.16Å; T955-S958 WeakPolarHBondContact CA-OG 3.49Å; T955-S958 PolarHBondContact O-N 2.95Å; T955-S958 PolarHBondContact O-OG 3.29Å
959	D	40.6	Very low	71.6	Confident	173 Å²	173	86.6 Å²	86.6	93%	0.925	45%	0.453	S	S	*	.			trans	-83.1	0	164.9	-34.7	-29.6	0	0	0	109.4	T955	T955-D959 PolarHBondContact O-N 2.98Å

Retrieved 959 of 959 residues in 237.7 ms (Link to these results)

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