A0A077ZLX1_TRITR Loading...

Aldehyde-alcohol dehydrogenase

Catalyzes the cofactor-independent reversible oxidation of gamma-hydroxybutyrate (GHB) to succinic semialdehyde (SSA) coupled to reduction of 2-ketoglutarate (2-KG) to D-2-hydroxyglutarate (D-2-HG). L-3-hydroxybutyrate (L-3-OHB) is also a substrate for HOT when using 2-KG as hydrogen acceptor, resulting in the formation of D-2-HG.

AlphaFold DB , UniProt , Accession A0A077ZLX1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 891 aa.

						>A0A077ZLX1_TRITR|A0A077ZLX1
MAVTNVAELNALVERVKKAQREYASFTQEQVDKIFRAAALAAADARIPLAKMAVAESGMGIVEDKVIKNHFASEYIYNAYKDEKTCGVLSEDDTFGTITIAEPIGIICGIVPTTNPTSTAIFKSLISLKTRNAIIFSPHPRAKDATNKAADIVLQAAIAAGAPKDLIGWIDQPSVELSNALMHHPDINLILATGGPGMVKAAYSSGKPAIGVGAGNTPVVIDETADIKRAVASVLMSKTFDNGVICASEQSVVVVDSVYDAVRERFATHGGYLLQGKELKAVQDVILKNGALNAAIVGQPAYKIAELAGFSVPENTKILIGEVTVVDESEPFAHEKLSPTLAMYRAKDFEDAVEKAEKLVAMGGIGHTSCLYTDQDNQPARVSYFGQKMKTARILINTPASQGGIGDLYNFKLAPSLTLGCGSWGGNSISENVGPKHLINKKTVAKRAENMLWHKLPKSIYFRRGSLPIALDEVITDGHKRALIVTDRFLFNNGYADQITSVLKAAGVETEVFFEVEADPTLSIVRKGAELANSFKPDVIIALGGGSPMDAAKIMWVMYEHPETHFEELALRFMDIRKRIYKFPKMGVKAKMIAVTTTSGTGSEVTPFAVVTDDATGQKYPLADYALTPDMAIVDANLVMDMPKSLCAFGGLDAVTHAMEAYVSVLASEFSDGQALQALKLLKEYLPASYHEGSKNPVARERVHSAATIAGIAFANAFLGVCHSMAHKLGSQFHIPHGLANALLICNVIRYNANDNPTKQTAFSQYDRPQARRRYAEIADHLGLSAPGDRTAAKIEKLLAWLETLKAELGIPKSIREAGVQEADFLANVDKLSEDAFDDQCTGANPRYPLISELKQILLDTYYGRDYVEGETATKKEAAPAKAEKKAKKSA
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	74.5	Confident	94.8	Very high	165 Å²	165	57.5 Å²	57.5	81%	0.813	35%	0.351	S	S	*	.				0	124	0	179.8	-178.2	-77	0	0	106	E8	M1-E8 HydrophobicContact CG-CG 4.45Å; M1-E8 HydrophobicContact SD-CG 4.19Å
2	A	91.8	Very high	95.1	Very high	54 Å²	54	53.1 Å²	53.1	45%	0.446	32%	0.324	S	S	.	.			trans	-66.8	151.4	175.4	0	0	0	0	0	109.9	T4 E8 D171	A2-T4 HydrophobicContact CB-CG2 4.36Å; A2-E8 VanDerWaalsContact O-CD 3.25Å; A2-D171 WeakPolarHBondContact CA-OD2 3.49Å
3	V	97.1	Very high	95.4	Very high	1 Å²	1	49 Å²	49	1%	0.006	30%	0.299	C	S	.	.			trans	-117.2	101	-180	-179.5	0	0	0	0	109.2	E8 L9 L12 I170 D171 Q172	V3-E8 HydrophobicContact CG1-CB 4.44Å; V3-E8 HydrophobicContact CG2-CB 4.5Å; V3-L9 HydrophobicContact CG1-CB 4.23Å; V3-L9 HydrophobicContact CG1-CD1 4.4Å; V3-L12 HydrophobicContact CG2-CB 4.31Å; V3-L12 HydrophobicContact CG2-CD2 4.12Å; V3-I170 HydrophobicContact CG1-CB 4.42Å; V3-I170 HydrophobicContact CG1-CG1 4.07Å; V3-I170 HydrophobicContact CG1-CG2 4.39Å; V3-D171 PolarHBondContact N-OD2 2.89Å; V3-D171 PolarHBondContact O-N 3.05Å; V3-Q172 PolarHBondContact O-N 2.97Å
4	T	96.7	Very high	95.6	Very high	71 Å²	71	53 Å²	53	44%	0.436	31%	0.313	S	S	.	.			trans	-129.7	-12.1	-173.3	66.4	0	0	0	0	112.8	A2 E8 Q172	A2-T4 HydrophobicContact CB-CG2 4.36Å; T4-E8 WeakPolarHBondContact CA-OE2 3.4Å; T4-E8 PolarHBondContact N-OE2 3.04Å; T4-E8 PolarHBondContact OG1-OE2 3.15Å; T4-Q172 HydrophobicContact CG2-CB 3.98Å
5	N	96.9	Very high	95.7	Very high	63 Å²	63	53.4 Å²	53.4	34%	0.337	31%	0.307	S	S	.	.	S	Bend	trans	-140.8	169.4	178.1	65	59	0	0	0	112.5	A7 E8 L9	N5-A7 VanDerWaalsContact C-N 3.31Å; N5-A7 PolarHBondContact O-N 3.16Å; N5-A7 WeakPolarHBondContact OD1-CB 3.38Å; N5-A7 PolarHBondContact OD1-N 3.32Å; N5-A7 VanDerWaalsContact OD1-N 3.09Å; N5-E8 PolarHBondContact N-OE2 2.93Å; N5-E8 PolarHBondContact ND2-OE1 2.96Å; N5-E8 PolarHBondContact ND2-OE2 3.41Å; N5-E8 PolarHBondContact O-N 3.39Å; N5-E8 WeakPolarHBondContact OD1-CG 3.35Å; N5-E8 PolarHBondContact OD1-N 3.11Å; N5-L9 PolarHBondContact O-N 3.02Å
6	V	96.8	Very high	95.9	Very high	47 Å²	47	50.1 Å²	50.1	29%	0.285	29%	0.287	S	S	.	.	H	α-helix	trans	-65.8	-31.4	-175.1	178.8	0	0	0	0	112.3	L9 N10 E176 L177 A180	V6-L9 WeakPolarHBondContact O-CB 3.34Å; V6-L9 PolarHBondContact O-N 3.32Å; V6-N10 VanDerWaalsContact O-CG 3.29Å; V6-N10 PolarHBondContact O-N 2.98Å; V6-E176 HydrophobicContact CG2-CG 4.41Å; V6-L177 HydrophobicContact CG2-CD2 3.9Å; V6-A180 HydrophobicContact CG1-CB 4.43Å; V6-A180 HydrophobicContact CG2-CB 4.42Å
7	A	97	Very high	96.1	Very high	70 Å²	70	50.7 Å²	50.7	58%	0.579	29%	0.286	S	S	*	.	H	α-helix	trans	-68.8	-43.4	178.2	0	0	0	0	0	111.6	N5 L9 N10 A11	N5-A7 VanDerWaalsContact C-N 3.31Å; N5-A7 PolarHBondContact O-N 3.16Å; N5-A7 WeakPolarHBondContact OD1-CB 3.38Å; N5-A7 PolarHBondContact OD1-N 3.32Å; N5-A7 VanDerWaalsContact OD1-N 3.09Å; A7-L9 VanDerWaalsContact C-N 3.3Å; A7-L9 PolarHBondContact O-N 3.34Å; A7-N10 PolarHBondContact O-N 3.09Å; A7-A11 WeakPolarHBondContact O-CB 3.48Å; A7-A11 PolarHBondContact O-N 3.22Å
8	E	98.1	Very high	96.2	Very high	46 Å²	46	56.4 Å²	56.4	22%	0.215	31%	0.307	C	S	.	.	H	α-helix	trans	-63.9	-36	173.7	-71.3	162.6	-180	0	0	111.9	M1 A2 V3 T4 N5 A11 L12	M1-E8 HydrophobicContact CG-CG 4.45Å; M1-E8 HydrophobicContact SD-CG 4.19Å; A2-E8 VanDerWaalsContact O-CD 3.25Å; V3-E8 HydrophobicContact CG1-CB 4.44Å; V3-E8 HydrophobicContact CG2-CB 4.5Å; T4-E8 WeakPolarHBondContact CA-OE2 3.4Å; T4-E8 PolarHBondContact N-OE2 3.04Å; T4-E8 PolarHBondContact OG1-OE2 3.15Å; N5-E8 PolarHBondContact N-OE2 2.93Å; N5-E8 PolarHBondContact ND2-OE1 2.96Å; N5-E8 PolarHBondContact ND2-OE2 3.41Å; N5-E8 PolarHBondContact O-N 3.39Å; N5-E8 WeakPolarHBondContact OD1-CG 3.35Å; N5-E8 PolarHBondContact OD1-N 3.11Å; E8-A11 PolarHBondContact O-N 2.8Å; E8-L12 WeakPolarHBondContact O-CB 3.47Å; E8-L12 PolarHBondContact O-N 3.03Å
9	L	98.2	Very high	96.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.8	-48.4	173.3	179.6	65.2	0	0	0	111.5	V3 N5 V6 A7 A11 L12 V13 I170 L177 A180 L181	V3-L9 HydrophobicContact CG1-CB 4.23Å; V3-L9 HydrophobicContact CG1-CD1 4.4Å; N5-L9 PolarHBondContact O-N 3.02Å; V6-L9 WeakPolarHBondContact O-CB 3.34Å; V6-L9 PolarHBondContact O-N 3.32Å; A7-L9 VanDerWaalsContact C-N 3.3Å; A7-L9 PolarHBondContact O-N 3.34Å; L9-A11 VanDerWaalsContact C-N 3.32Å; L9-A11 PolarHBondContact O-N 2.72Å; L9-L12 WeakPolarHBondContact O-CA 3.41Å; L9-L12 VanDerWaalsContact O-CB 3.31Å; L9-L12 WeakPolarHBondContact O-CB 3.42Å; L9-L12 PolarHBondContact O-N 3.18Å; L9-V13 WeakPolarHBondContact O-CG2 3.4Å; L9-V13 PolarHBondContact O-N 3.39Å; L9-I170 HydrophobicContact CD1-CD1 4.22Å; L9-I170 HydrophobicContact CD1-CG1 4.14Å; L9-L177 HydrophobicContact CB-CD2 4.39Å; L9-L177 HydrophobicContact CD2-CD2 4.25Å; L9-L177 WeakPolarHBondContact CD2-O 3.42Å; L9-A180 HydrophobicContact CD2-CB 3.94Å; L9-L181 HydrophobicContact CD1-CB 4.3Å; L9-L181 HydrophobicContact CD1-CD1 4.07Å; L9-L181 HydrophobicContact CD2-CB 3.98Å
10	N	98	Very high	96.4	Very high	71 Å²	71	52.1 Å²	52.1	38%	0.38	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-42.1	177	-70	-14.5	0	0	0	111.1	V6 A7 L12 V13 E14 H184	V6-N10 VanDerWaalsContact O-CG 3.29Å; V6-N10 PolarHBondContact O-N 2.98Å; A7-N10 PolarHBondContact O-N 3.09Å; N10-L12 VanDerWaalsContact C-N 3.26Å; N10-L12 PolarHBondContact O-N 2.89Å; N10-V13 PolarHBondContact O-N 2.78Å; N10-E14 PolarHBondContact O-N 2.94Å; N10-H184 PolarHBondContact OD1-CD2 3.06Å; N10-H184 PolarHBondContact OD1-NE2 3.38Å
11	A	98.1	Very high	96.5	Very high	44 Å²	44	58.6 Å²	58.6	36%	0.364	30%	0.304	S	S	.	.	H	α-helix	trans	-65	-28.6	173.6	0	0	0	0	0	112.7	A7 E8 L9 R15	A7-A11 WeakPolarHBondContact O-CB 3.48Å; A7-A11 PolarHBondContact O-N 3.22Å; E8-A11 PolarHBondContact O-N 2.8Å; L9-A11 VanDerWaalsContact C-N 3.32Å; L9-A11 PolarHBondContact O-N 2.72Å; A11-R15 WeakPolarHBondContact O-CG 3.47Å; A11-R15 PolarHBondContact O-N 3.5Å; A11-R15 PolarHBondContact O-NH1 3.23Å; A11-R15 VanDerWaalsContact O-NH1 3.09Å
12	L	98.3	Very high	97.7	Very high	5 Å²	5	55.7 Å²	55.7	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-68.3	-50.8	171.3	172.9	65	0	0	0	111.2	V3 E8 L9 N10 E14 R15 V16 I135	V3-L12 HydrophobicContact CG2-CB 4.31Å; V3-L12 HydrophobicContact CG2-CD2 4.12Å; E8-L12 WeakPolarHBondContact O-CB 3.47Å; E8-L12 PolarHBondContact O-N 3.03Å; L9-L12 WeakPolarHBondContact O-CA 3.41Å; L9-L12 VanDerWaalsContact O-CB 3.31Å; L9-L12 WeakPolarHBondContact O-CB 3.42Å; L9-L12 PolarHBondContact O-N 3.18Å; N10-L12 VanDerWaalsContact C-N 3.26Å; N10-L12 PolarHBondContact O-N 2.89Å; L12-E14 PolarHBondContact O-N 3.35Å; L12-R15 HydrophobicContact CD1-CG 4.37Å; L12-R15 VanDerWaalsContact CD1-CZ 3.43Å; L12-R15 WeakPolarHBondContact O-CG 3.45Å; L12-R15 PolarHBondContact O-N 3.2Å; L12-V16 HydrophobicContact CD1-CG2 3.5Å; L12-V16 HydrophobicContact CG-CG2 4.01Å; L12-V16 WeakPolarHBondContact O-CB 3.43Å; L12-V16 WeakPolarHBondContact O-CG2 3.16Å; L12-V16 PolarHBondContact O-N 3.07Å; L12-I135 HydrophobicContact CD2-CD1 4.32Å; L12-I135 HydrophobicContact CD2-CG1 4.34Å; L12-I135 HydrophobicContact CD2-CG2 3.64Å; L12-I135 HydrophobicContact CG-CD1 4.12Å; L12-I135 HydrophobicContact CG-CG1 4.44Å
13	V	98.5	Very high	98	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-58.8	-40.7	-179.2	-179.2	0	0	0	0	110.7	L9 N10 V16 K17 I106 I135 L181 H184 D186	L9-V13 WeakPolarHBondContact O-CG2 3.4Å; L9-V13 PolarHBondContact O-N 3.39Å; N10-V13 PolarHBondContact O-N 2.78Å; V13-V16 PolarHBondContact O-N 3.02Å; V13-K17 WeakPolarHBondContact O-CB 3.42Å; V13-K17 PolarHBondContact O-N 3.48Å; V13-I106 HydrophobicContact CG1-CD1 4.17Å; V13-I135 HydrophobicContact CB-CD1 4.24Å; V13-I135 HydrophobicContact CG2-CD1 3.66Å; V13-L181 HydrophobicContact CG2-CD1 4.05Å; V13-H184 VanDerWaalsContact CG1-CE1 3.45Å; V13-H184 WeakPolarHBondContact CG1-CE1 3.08Å; V13-D186 HydrophobicContact CG1-CB 3.68Å
14	E	98.3	Very high	98.1	Very high	105 Å²	105	54.4 Å²	54.4	49%	0.491	28%	0.278	S	S	.	.	H	α-helix	trans	-65.6	-43.3	-180	-172.4	56.4	-150.9	0	0	113.3	N10 L12 K17 K18	N10-E14 PolarHBondContact O-N 2.94Å; L12-E14 PolarHBondContact O-N 3.35Å; E14-K17 WeakPolarHBondContact O-CB 3.32Å; E14-K17 PolarHBondContact O-N 3.23Å; E14-K17 IonicContact OE2-NZ 3.98Å; E14-K18 PolarHBondContact O-N 3Å; E14-K18 VanDerWaalsContact O-N 3.12Å
15	R	98	Very high	98.1	Very high	59 Å²	59	55.3 Å²	55.3	22%	0.223	29%	0.287	C	S	.	.	H	α-helix	trans	-68	-37.5	176	64.2	-176.7	177.5	-96.9	5.6	112.3	A11 L12 K18 A19 D165	A11-R15 WeakPolarHBondContact O-CG 3.47Å; A11-R15 PolarHBondContact O-N 3.5Å; A11-R15 PolarHBondContact O-NH1 3.23Å; A11-R15 VanDerWaalsContact O-NH1 3.09Å; L12-R15 HydrophobicContact CD1-CG 4.37Å; L12-R15 VanDerWaalsContact CD1-CZ 3.43Å; L12-R15 WeakPolarHBondContact O-CG 3.45Å; L12-R15 PolarHBondContact O-N 3.2Å; R15-K18 PolarHBondContact O-N 3.47Å; R15-A19 PolarHBondContact O-N 3.37Å; R15-D165 HydrophobicContact CB-CB 4.31Å; R15-D165 HydrophobicContact CG-CB 4.06Å; R15-D165 IonicContact NE-OD1 3.83Å
16	V	98.7	Very high	98.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-66.4	-41	176.2	174.5	0	0	0	0	110.7	L12 V13 K18 A19 Q20 I106 A133 I135 D165	L12-V16 HydrophobicContact CD1-CG2 3.5Å; L12-V16 HydrophobicContact CG-CG2 4.01Å; L12-V16 WeakPolarHBondContact O-CB 3.43Å; L12-V16 WeakPolarHBondContact O-CG2 3.16Å; L12-V16 PolarHBondContact O-N 3.07Å; V13-V16 PolarHBondContact O-N 3.02Å; V16-K18 VanDerWaalsContact C-N 3.34Å; V16-K18 PolarHBondContact O-N 3.42Å; V16-A19 WeakPolarHBondContact O-CB 3.38Å; V16-A19 PolarHBondContact O-N 3.27Å; V16-Q20 WeakPolarHBondContact O-CB 3.21Å; V16-Q20 PolarHBondContact O-N 3.4Å; V16-I106 HydrophobicContact CG1-CD1 4.32Å; V16-I106 HydrophobicContact CG1-CG1 4.46Å; V16-I106 HydrophobicContact CG1-CG2 3.84Å; V16-A133 HydrophobicContact CG1-CB 3.45Å; V16-A133 VanDerWaalsContact CG1-CB 3.45Å; V16-I135 HydrophobicContact CB-CD1 4.08Å; V16-I135 HydrophobicContact CB-CG1 4.34Å; V16-I135 HydrophobicContact CG1-CD1 4.11Å; V16-I135 HydrophobicContact CG1-CG1 4.02Å; V16-I135 HydrophobicContact CG2-CD1 3.93Å; V16-I135 HydrophobicContact CG2-CG1 3.93Å; V16-D165 WeakPolarHBondContact CG2-O 3.48Å
17	K	98.6	Very high	98.3	Very high	61 Å²	61	54.3 Å²	54.3	27%	0.265	28%	0.282	S	S	.	.	H	α-helix	trans	-58.2	-45.9	174.6	-178.1	179.8	177.9	177.8	0	111.5	V13 E14 Q20 R21 I106 D186	V13-K17 WeakPolarHBondContact O-CB 3.42Å; V13-K17 PolarHBondContact O-N 3.48Å; E14-K17 WeakPolarHBondContact O-CB 3.32Å; E14-K17 PolarHBondContact O-N 3.23Å; E14-K17 IonicContact OE2-NZ 3.98Å; K17-Q20 PolarHBondContact O-N 3.29Å; K17-R21 WeakPolarHBondContact O-CG 3.44Å; K17-R21 PolarHBondContact O-N 3.33Å; K17-I106 VanDerWaalsContact CA-CD1 3.45Å; K17-I106 HydrophobicContact CB-CD1 3.58Å; K17-I106 HydrophobicContact CG-CD1 4.2Å; K17-D186 HydrophobicContact CD-CB 4.22Å; K17-D186 WeakPolarHBondContact CE-OD1 3.25Å; K17-D186 IonicContact NZ-OD1 2.95Å; K17-D186 PolarHBondContact NZ-OD1 3.1Å; K17-D186 IonicContact NZ-OD2 2.97Å; K17-D186 PolarHBondContact NZ-OD2 2.84Å
18	K	98.3	Very high	98.4	Very high	154 Å²	154	52.8 Å²	52.8	67%	0.67	26%	0.263	S	S	*	.	H	α-helix	trans	-60.9	-46.1	175.2	-175.3	177.3	176.6	177	0	111.5	E14 R15 V16 Q20 R21 E22	E14-K18 PolarHBondContact O-N 3Å; E14-K18 VanDerWaalsContact O-N 3.12Å; R15-K18 PolarHBondContact O-N 3.47Å; V16-K18 VanDerWaalsContact C-N 3.34Å; V16-K18 PolarHBondContact O-N 3.42Å; K18-Q20 VanDerWaalsContact C-N 3.34Å; K18-Q20 PolarHBondContact O-N 3.25Å; K18-R21 PolarHBondContact O-N 3.11Å; K18-E22 PolarHBondContact O-N 2.95Å; K18-E22 VanDerWaalsContact O-N 3.15Å
19	A	98.6	Very high	98.4	Very high	5 Å²	5	58.3 Å²	58.3	4%	0.041	29%	0.289	C	S	.	.	H	α-helix	trans	-59.5	-43.1	175.8	0	0	0	0	0	112.2	R15 V16 R21 E22 Y23 P163 D165 L166	R15-A19 PolarHBondContact O-N 3.37Å; V16-A19 WeakPolarHBondContact O-CB 3.38Å; V16-A19 PolarHBondContact O-N 3.27Å; A19-R21 PolarHBondContact O-N 2.84Å; A19-E22 PolarHBondContact O-N 3.3Å; A19-Y23 VanDerWaalsContact O-CB 3.32Å; A19-Y23 WeakPolarHBondContact O-CB 3.49Å; A19-Y23 PolarHBondContact O-N 2.81Å; A19-P163 HydrophobicContact CB-CB 3.76Å; A19-D165 HydrophobicContact CB-CB 4.43Å; A19-L166 HydrophobicContact CB-CB 4.32Å; A19-L166 HydrophobicContact CB-CD1 4.19Å
20	Q	98.7	Very high	98.4	Very high	21 Å²	21	62.6 Å²	62.6	10%	0.098	31%	0.308	C	S	.	.	H	α-helix	trans	-62.9	-43.2	178.1	-165.6	-79.6	-41.6	0	0	111.8	V16 K17 K18 E22 Y23 A24 G105 I106 R131 A133	V16-Q20 WeakPolarHBondContact O-CB 3.21Å; V16-Q20 PolarHBondContact O-N 3.4Å; K17-Q20 PolarHBondContact O-N 3.29Å; K18-Q20 VanDerWaalsContact C-N 3.34Å; K18-Q20 PolarHBondContact O-N 3.25Å; Q20-E22 VanDerWaalsContact C-N 3.32Å; Q20-E22 PolarHBondContact O-N 3.11Å; Q20-Y23 PolarHBondContact O-N 3.17Å; Q20-A24 WeakPolarHBondContact O-CB 3.34Å; Q20-A24 PolarHBondContact O-N 3.43Å; Q20-G105 WeakPolarHBondContact CG-O 3.43Å; Q20-I106 HydrophobicContact CB-CG1 4.38Å; Q20-I106 HydrophobicContact CG-CG1 4.47Å; Q20-R131 PolarHBondContact NE2-O 3.06Å; Q20-A133 HydrophobicContact CB-CB 3.66Å; Q20-A133 HydrophobicContact CG-CB 3.77Å
21	R	98.4	Very high	98.4	Very high	188 Å²	188	59.2 Å²	59.2	71%	0.709	29%	0.29	S	S	*	.	H	α-helix	trans	-63.4	-38.7	178.5	-71.5	-179.3	70.6	-150.7	-0.6	112.4	K17 K18 A19	K17-R21 WeakPolarHBondContact O-CG 3.44Å; K17-R21 PolarHBondContact O-N 3.33Å; K18-R21 PolarHBondContact O-N 3.11Å; A19-R21 PolarHBondContact O-N 2.84Å
22	E	98.5	Very high	98.5	Very high	105 Å²	105	59.5 Å²	59.5	49%	0.491	29%	0.286	S	S	.	.	H	α-helix	trans	-64.5	-48.8	171.4	-177.2	-179.7	166.8	0	0	110.6	K18 A19 Q20 A24 S25 F26 P163	K18-E22 PolarHBondContact O-N 2.95Å; K18-E22 VanDerWaalsContact O-N 3.15Å; A19-E22 PolarHBondContact O-N 3.3Å; Q20-E22 VanDerWaalsContact C-N 3.32Å; Q20-E22 PolarHBondContact O-N 3.11Å; E22-A24 VanDerWaalsContact C-N 3.34Å; E22-A24 PolarHBondContact O-N 3.27Å; E22-S25 WeakPolarHBondContact O-CB 3.37Å; E22-S25 PolarHBondContact O-N 3.32Å; E22-S25 VanDerWaalsContact O-N 3.13Å; E22-S25 PolarHBondContact O-OG 3.47Å; E22-F26 HydrophobicContact CG-CE1 4.33Å; E22-P163 HydrophobicContact CB-CG 4.07Å; E22-P163 HydrophobicContact CG-CG 3.93Å
23	Y	98.6	Very high	98.5	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-66.6	-31.1	-176.7	-167.9	-130.3	0	0	0	114.1	A19 Q20 S25 F26 V31 I34 L128 R131 L166	A19-Y23 VanDerWaalsContact O-CB 3.32Å; A19-Y23 WeakPolarHBondContact O-CB 3.49Å; A19-Y23 PolarHBondContact O-N 2.81Å; Q20-Y23 PolarHBondContact O-N 3.17Å; Y23-S25 PolarHBondContact O-N 3.1Å; Y23-S25 VanDerWaalsContact O-N 3.13Å; Y23-F26 HydrophobicContact CD2-CB 4.3Å; Y23-F26 HydrophobicContact CD2-CD1 4.3Å; Y23-F26 AromaticContact CD2-CD2 3.49Å; Y23-F26 HydrophobicContact CD2-CD2 3.49Å; Y23-F26 VanDerWaalsContact CD2-CD2 3.49Å; Y23-F26 AromaticContact CD2-CE2 3.78Å; Y23-F26 HydrophobicContact CD2-CE2 3.78Å; Y23-F26 AromaticContact CD2-CG 3.78Å; Y23-F26 HydrophobicContact CD2-CG 3.78Å; Y23-F26 HydrophobicContact CD2-CZ 4.3Å; Y23-F26 HydrophobicContact CE2-CB 4.43Å; Y23-F26 AromaticContact CE2-CD2 3.55Å; Y23-F26 HydrophobicContact CE2-CD2 3.55Å; Y23-F26 HydrophobicContact CE2-CE2 4.01Å; Y23-F26 HydrophobicContact CE2-CG 4.13Å; Y23-F26 VanDerWaalsContact O-CB 3.32Å; Y23-F26 WeakPolarHBondContact O-CB 3.43Å; Y23-F26 PolarHBondContact O-N 3.12Å; Y23-V31 HydrophobicContact CE2-CG2 4.19Å; Y23-I34 HydrophobicContact CE2-CD1 3.58Å; Y23-L128 HydrophobicContact CE1-CD2 4.18Å; Y23-L128 WeakPolarHBondContact CE1-O 3.37Å; Y23-L128 PolarHBondContact OH-O 2.83Å; Y23-L128 VanDerWaalsContact OH-O 3.08Å; Y23-R131 HydrophobicContact CD1-CB 4.15Å; Y23-R131 VanDerWaalsContact CE1-CA 3.49Å; Y23-R131 HydrophobicContact CE1-CB 4.28Å; Y23-L166 HydrophobicContact CD1-CD1 3.77Å; Y23-L166 HydrophobicContact CD1-CD2 3.36Å; Y23-L166 HydrophobicContact CD1-CG 4.16Å; Y23-L166 HydrophobicContact CD2-CD2 4.1Å; Y23-L166 HydrophobicContact CE1-CD2 3.53Å; Y23-L166 HydrophobicContact CE2-CD2 4.29Å; Y23-L166 HydrophobicContact CG-CD1 3.92Å; Y23-L166 HydrophobicContact CG-CD2 3.65Å; Y23-L166 HydrophobicContact CG-CG 4.47Å
24	A	98.5	Very high	98.5	Very high	27 Å²	27	65.5 Å²	65.5	22%	0.223	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.4	174.4	0	0	0	0	0	113	Q20 E22 F26 P103 R131	Q20-A24 WeakPolarHBondContact O-CB 3.34Å; Q20-A24 PolarHBondContact O-N 3.43Å; E22-A24 VanDerWaalsContact C-N 3.34Å; E22-A24 PolarHBondContact O-N 3.27Å; A24-F26 VanDerWaalsContact C-N 3.31Å; A24-P103 HydrophobicContact CB-CG 3.86Å; A24-R131 PolarHBondContact O-NH1 3.36Å
25	S	98.2	Very high	98.5	Very high	91 Å²	91	60.6 Å²	60.6	64%	0.636	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-9.2	177.2	74.3	0	0	0	0	114.2	E22 Y23	E22-S25 WeakPolarHBondContact O-CB 3.37Å; E22-S25 PolarHBondContact O-N 3.32Å; E22-S25 VanDerWaalsContact O-N 3.13Å; E22-S25 PolarHBondContact O-OG 3.47Å; Y23-S25 PolarHBondContact O-N 3.1Å; Y23-S25 VanDerWaalsContact O-N 3.13Å
26	F	98.5	Very high	98.5	Very high	21 Å²	21	64.4 Å²	64.4	9%	0.092	30%	0.303	C	S	.	.			trans	-73.2	148.7	-173.8	-76.9	28.7	0	0	0	111.7	E22 Y23 A24 Q30 V31 I34 R131 G161	E22-F26 HydrophobicContact CG-CE1 4.33Å; Y23-F26 HydrophobicContact CD2-CB 4.3Å; Y23-F26 HydrophobicContact CD2-CD1 4.3Å; Y23-F26 AromaticContact CD2-CD2 3.49Å; Y23-F26 HydrophobicContact CD2-CD2 3.49Å; Y23-F26 VanDerWaalsContact CD2-CD2 3.49Å; Y23-F26 AromaticContact CD2-CE2 3.78Å; Y23-F26 HydrophobicContact CD2-CE2 3.78Å; Y23-F26 AromaticContact CD2-CG 3.78Å; Y23-F26 HydrophobicContact CD2-CG 3.78Å; Y23-F26 HydrophobicContact CD2-CZ 4.3Å; Y23-F26 HydrophobicContact CE2-CB 4.43Å; Y23-F26 AromaticContact CE2-CD2 3.55Å; Y23-F26 HydrophobicContact CE2-CD2 3.55Å; Y23-F26 HydrophobicContact CE2-CE2 4.01Å; Y23-F26 HydrophobicContact CE2-CG 4.13Å; Y23-F26 VanDerWaalsContact O-CB 3.32Å; Y23-F26 WeakPolarHBondContact O-CB 3.43Å; Y23-F26 PolarHBondContact O-N 3.12Å; A24-F26 VanDerWaalsContact C-N 3.31Å; F26-Q30 HydrophobicContact CB-CB 4.15Å; F26-Q30 HydrophobicContact CD2-CB 3.84Å; F26-Q30 HydrophobicContact CG-CB 4.3Å; F26-V31 HydrophobicContact CB-CG2 3.94Å; F26-I34 HydrophobicContact CD2-CD1 3.92Å; F26-I34 HydrophobicContact CE2-CD1 3.81Å; F26-R131 WeakPolarHBondContact O-CD 3.5Å; F26-R131 PolarHBondContact O-NH1 3.25Å; F26-R131 VanDerWaalsContact O-NH1 3.14Å; F26-G161 VanDerWaalsContact CE2-O 3.24Å; F26-G161 WeakPolarHBondContact CE2-O 3.2Å; F26-G161 WeakPolarHBondContact CZ-O 3.28Å
27	T	98.3	Very high	98.5	Very high	68 Å²	68	65.8 Å²	65.8	42%	0.417	32%	0.315	S	S	.	.			trans	-77	165.3	174.7	71.7	0	0	0	0	111.6	E29 Q30 V31	T27-E29 VanDerWaalsContact C-N 3.3Å; T27-E29 PolarHBondContact O-N 3.31Å; T27-Q30 PolarHBondContact O-N 3.03Å; T27-Q30 WeakPolarHBondContact OG1-CG 3.11Å; T27-Q30 PolarHBondContact OG1-N 3.11Å; T27-Q30 PolarHBondContact OG1-OE1 2.73Å; T27-V31 VanDerWaalsContact O-CG2 3.29Å; T27-V31 WeakPolarHBondContact O-CG2 3.49Å; T27-V31 PolarHBondContact O-N 2.8Å
28	Q	98.4	Very high	98.6	Very high	38 Å²	38	62.9 Å²	62.9	18%	0.178	30%	0.302	C	S	.	.	H	α-helix	trans	-55.9	-44.7	175.5	-167.8	66.5	72.7	0	0	111.4	Q30 V31 D32 T85 C86 K129	Q28-Q30 PolarHBondContact O-N 2.93Å; Q28-V31 PolarHBondContact O-N 2.9Å; Q28-D32 PolarHBondContact NE2-OD1 2.95Å; Q28-D32 WeakPolarHBondContact O-CB 3.08Å; Q28-D32 PolarHBondContact O-N 3.41Å; Q28-T85 PolarHBondContact NE2-OG1 3.18Å; Q28-C86 HydrophobicContact CB-CB 4.01Å; Q28-K129 VanDerWaalsContact NE2-NZ 3.13Å
29	E	98.3	Very high	98.6	Very high	162 Å²	162	55.9 Å²	55.9	76%	0.757	27%	0.273	S	S	*	.	H	α-helix	trans	-62.2	-42.3	179.8	-65.3	179.7	178.1	0	0	113.1	T27 V31 D32 K33	T27-E29 VanDerWaalsContact C-N 3.3Å; T27-E29 PolarHBondContact O-N 3.31Å; E29-V31 VanDerWaalsContact C-N 3.35Å; E29-D32 PolarHBondContact O-N 3.14Å; E29-K33 WeakPolarHBondContact O-CB 3.44Å; E29-K33 PolarHBondContact O-N 2.68Å
30	Q	98.6	Very high	98.6	Very high	89 Å²	89	60.1 Å²	60.1	42%	0.416	29%	0.294	S	S	.	.	H	α-helix	trans	-63.2	-43.8	176.5	-70	176.5	-61.5	0	0	110.9	F26 T27 Q28 I34	F26-Q30 HydrophobicContact CB-CB 4.15Å; F26-Q30 HydrophobicContact CD2-CB 3.84Å; F26-Q30 HydrophobicContact CG-CB 4.3Å; T27-Q30 PolarHBondContact O-N 3.03Å; T27-Q30 WeakPolarHBondContact OG1-CG 3.11Å; T27-Q30 PolarHBondContact OG1-N 3.11Å; T27-Q30 PolarHBondContact OG1-OE1 2.73Å; Q28-Q30 PolarHBondContact O-N 2.93Å; Q30-I34 WeakPolarHBondContact O-CD1 3.16Å; Q30-I34 WeakPolarHBondContact O-CG1 3.21Å; Q30-I34 PolarHBondContact O-N 3.2Å
31	V	98.7	Very high	98.6	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-65.9	-42.3	177.9	173.5	0	0	0	0	111.3	Y23 F26 T27 Q28 E29 K33 I34 F35 L128 R131	Y23-V31 HydrophobicContact CE2-CG2 4.19Å; F26-V31 HydrophobicContact CB-CG2 3.94Å; T27-V31 VanDerWaalsContact O-CG2 3.29Å; T27-V31 WeakPolarHBondContact O-CG2 3.49Å; T27-V31 PolarHBondContact O-N 2.8Å; Q28-V31 PolarHBondContact O-N 2.9Å; E29-V31 VanDerWaalsContact C-N 3.35Å; V31-K33 VanDerWaalsContact C-N 3.35Å; V31-K33 PolarHBondContact O-N 3.46Å; V31-I34 WeakPolarHBondContact O-CB 3.17Å; V31-I34 PolarHBondContact O-N 3.25Å; V31-I34 VanDerWaalsContact O-N 3.15Å; V31-F35 WeakPolarHBondContact O-CB 3.35Å; V31-F35 PolarHBondContact O-N 3.38Å; V31-L128 WeakPolarHBondContact CG1-O 3.26Å; V31-R131 HydrophobicContact CG2-CG 3.59Å
32	D	98.7	Very high	98.6	Very high	50 Å²	50	51.4 Å²	51.4	27%	0.267	27%	0.266	S	S	.	.	H	α-helix	trans	-66.2	-38.2	-178.6	-67.1	-9.1	0	0	0	111.6	Q28 E29 I34 F35 R36 K129	Q28-D32 PolarHBondContact NE2-OD1 2.95Å; Q28-D32 WeakPolarHBondContact O-CB 3.08Å; Q28-D32 PolarHBondContact O-N 3.41Å; E29-D32 PolarHBondContact O-N 3.14Å; D32-I34 VanDerWaalsContact C-N 3.35Å; D32-F35 PolarHBondContact O-N 2.96Å; D32-R36 WeakPolarHBondContact O-CB 3.01Å; D32-R36 PolarHBondContact O-N 2.91Å; D32-K129 IonicContact OD1-NZ 3.48Å; D32-K129 PolarHBondContact OD1-NZ 2.96Å; D32-K129 IonicContact OD2-NZ 3.9Å
33	K	98.7	Very high	98.6	Very high	131 Å²	131	47.2 Å²	47.2	57%	0.57	25%	0.25	S	C	*	.	H	α-helix	trans	-59.7	-45.4	171.3	-176	-173.7	174.7	-166.6	0	111.5	E29 V31 A37 A160	E29-K33 WeakPolarHBondContact O-CB 3.44Å; E29-K33 PolarHBondContact O-N 2.68Å; V31-K33 VanDerWaalsContact C-N 3.35Å; V31-K33 PolarHBondContact O-N 3.46Å; K33-A37 WeakPolarHBondContact O-CB 3.14Å; K33-A37 PolarHBondContact O-N 2.96Å; K33-A160 HydrophobicContact CG-CB 4.46Å; K33-A160 PolarHBondContact NZ-O 3.37Å
34	I	98.8	Very high	98.6	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-64.5	-45.8	177.9	-72.2	161.9	0	0	0	110.9	Y23 F26 Q30 V31 D32 R36 A37 A38 L128 A157 A160 A162	Y23-I34 HydrophobicContact CE2-CD1 3.58Å; F26-I34 HydrophobicContact CD2-CD1 3.92Å; F26-I34 HydrophobicContact CE2-CD1 3.81Å; Q30-I34 WeakPolarHBondContact O-CD1 3.16Å; Q30-I34 WeakPolarHBondContact O-CG1 3.21Å; Q30-I34 PolarHBondContact O-N 3.2Å; V31-I34 WeakPolarHBondContact O-CB 3.17Å; V31-I34 PolarHBondContact O-N 3.25Å; V31-I34 VanDerWaalsContact O-N 3.15Å; D32-I34 VanDerWaalsContact C-N 3.35Å; I34-R36 VanDerWaalsContact C-N 3.34Å; I34-R36 PolarHBondContact O-N 3.41Å; I34-A37 PolarHBondContact O-N 3.05Å; I34-A38 VanDerWaalsContact O-CB 3.28Å; I34-A38 WeakPolarHBondContact O-CB 3.48Å; I34-A38 PolarHBondContact O-N 3.32Å; I34-L128 HydrophobicContact CG2-CD1 4.23Å; I34-L128 HydrophobicContact CG2-CD2 4.38Å; I34-A157 HydrophobicContact CG2-CB 3.72Å; I34-A160 HydrophobicContact CB-CB 4.44Å; I34-A160 HydrophobicContact CG1-CB 3.87Å; I34-A162 HydrophobicContact CD1-CB 3.87Å; I34-A162 HydrophobicContact CG1-CB 4.3Å; I34-A162 HydrophobicContact CG2-CB 4.22Å
35	F	98.7	Very high	98.6	Very high	1 Å²	1	53 Å²	53	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-58.8	-44.4	178.7	-175.7	-126.9	0	0	0	111.6	V31 D32 A39 Y77 K81 L125 K129	V31-F35 WeakPolarHBondContact O-CB 3.35Å; V31-F35 PolarHBondContact O-N 3.38Å; D32-F35 PolarHBondContact O-N 2.96Å; F35-A39 WeakPolarHBondContact O-CB 3.3Å; F35-A39 PolarHBondContact O-N 3.33Å; F35-Y77 AromaticContact CD1-CD2 3.49Å; F35-Y77 HydrophobicContact CD1-CD2 3.49Å; F35-Y77 VanDerWaalsContact CD1-CD2 3.49Å; F35-Y77 AromaticContact CD1-CE2 3.75Å; F35-Y77 HydrophobicContact CD1-CE2 3.75Å; F35-Y77 AromaticContact CE1-CD2 3.48Å; F35-Y77 HydrophobicContact CE1-CD2 3.48Å; F35-Y77 VanDerWaalsContact CE1-CD2 3.48Å; F35-Y77 HydrophobicContact CE1-CE2 4.11Å; F35-Y77 HydrophobicContact CE1-CG 4.21Å; F35-Y77 HydrophobicContact CG-CD2 4.24Å; F35-Y77 HydrophobicContact CZ-CD2 4.25Å; F35-K81 HydrophobicContact CD1-CB 4.48Å; F35-K81 HydrophobicContact CE1-CB 4.22Å; F35-L125 HydrophobicContact CD2-CB 4.32Å; F35-L125 HydrophobicContact CD2-CD2 4.16Å; F35-L125 WeakPolarHBondContact CD2-O 2.98Å; F35-L125 HydrophobicContact CE2-CB 3.79Å; F35-L125 HydrophobicContact CE2-CD2 4.31Å; F35-L125 WeakPolarHBondContact CE2-O 2.88Å; F35-K129 HydrophobicContact CD1-CD 3.98Å; F35-K129 HydrophobicContact CD2-CB 3.93Å; F35-K129 HydrophobicContact CE1-CD 4.27Å; F35-K129 HydrophobicContact CE2-CB 3.95Å; F35-K129 HydrophobicContact CG-CB 4.31Å; F35-K129 HydrophobicContact CG-CD 4.2Å; F35-K129 HydrophobicContact CZ-CB 4.4Å
36	R	98.7	Very high	98.6	Very high	140 Å²	140	52.5 Å²	52.5	53%	0.528	26%	0.263	S	S	.	.	H	α-helix	trans	-65.1	-46.8	176.3	-172	175.3	175.7	-91.2	-0.8	112.6	D32 I34 A39 L40 Y77	D32-R36 WeakPolarHBondContact O-CB 3.01Å; D32-R36 PolarHBondContact O-N 2.91Å; I34-R36 VanDerWaalsContact C-N 3.34Å; I34-R36 PolarHBondContact O-N 3.41Å; R36-A39 PolarHBondContact O-N 3.46Å; R36-L40 HydrophobicContact CG-CD1 4.14Å; R36-L40 WeakPolarHBondContact O-CG 3.42Å; R36-L40 PolarHBondContact O-N 3.37Å; R36-Y77 HydrophobicContact CB-CE2 3.61Å; R36-Y77 WeakPolarHBondContact CD-OH 3.46Å; R36-Y77 HydrophobicContact CG-CE2 3.93Å
37	A	98.8	Very high	98.6	Very high	29 Å²	29	54.8 Å²	54.8	24%	0.24	28%	0.275	C	S	.	.	H	α-helix	trans	-62.1	-44.8	-179.6	0	0	0	0	0	111.8	K33 I34 L40 A41 A160	K33-A37 WeakPolarHBondContact O-CB 3.14Å; K33-A37 PolarHBondContact O-N 2.96Å; I34-A37 PolarHBondContact O-N 3.05Å; A37-L40 PolarHBondContact O-N 2.87Å; A37-A41 PolarHBondContact O-N 2.89Å; A37-A160 HydrophobicContact CB-CB 3.55Å
38	A	98.7	Very high	98.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-59.9	-44.3	174.4	0	0	0	0	0	112.5	I34 A41 A42 L125 L128 V153	I34-A38 VanDerWaalsContact O-CB 3.28Å; I34-A38 WeakPolarHBondContact O-CB 3.48Å; I34-A38 PolarHBondContact O-N 3.32Å; A38-A41 PolarHBondContact O-N 2.58Å; A38-A42 WeakPolarHBondContact O-CB 3.38Å; A38-A42 PolarHBondContact O-N 3.21Å; A38-L125 HydrophobicContact CB-CD2 3.45Å; A38-L125 VanDerWaalsContact CB-CD2 3.45Å; A38-L128 HydrophobicContact CB-CD1 3.87Å; A38-V153 HydrophobicContact CB-CG1 3.9Å
39	A	98.7	Very high	98.6	Very high	7 Å²	7	53.7 Å²	53.7	6%	0.058	27%	0.273	C	S	.	.	H	α-helix	trans	-65.2	-42.3	179.5	0	0	0	0	0	112	F35 R36 A42 A43 S73 Y77 L125	F35-A39 WeakPolarHBondContact O-CB 3.3Å; F35-A39 PolarHBondContact O-N 3.33Å; R36-A39 PolarHBondContact O-N 3.46Å; A39-A42 PolarHBondContact O-N 3.42Å; A39-A43 WeakPolarHBondContact O-CB 3.47Å; A39-A43 PolarHBondContact O-N 2.94Å; A39-S73 WeakPolarHBondContact O-CB 3.35Å; A39-Y77 HydrophobicContact CB-CD2 3.98Å; A39-Y77 HydrophobicContact CB-CG 4.14Å; A39-L125 HydrophobicContact CB-CD1 4.16Å; A39-L125 HydrophobicContact CB-CD2 4.14Å
40	L	98.5	Very high	98.6	Very high	93 Å²	93	46 Å²	46	49%	0.487	24%	0.237	S	C	.	.	H	α-helix	trans	-62.7	-45.1	176.4	-71.6	170.4	0	0	0	112	R36 A37 A42 A43 D44	R36-L40 HydrophobicContact CG-CD1 4.14Å; R36-L40 WeakPolarHBondContact O-CG 3.42Å; R36-L40 PolarHBondContact O-N 3.37Å; A37-L40 PolarHBondContact O-N 2.87Å; L40-A42 VanDerWaalsContact C-N 3.33Å; L40-A42 PolarHBondContact O-N 2.87Å; L40-A43 PolarHBondContact O-N 2.8Å; L40-D44 WeakPolarHBondContact O-CB 3.21Å; L40-D44 PolarHBondContact O-N 3.05Å
41	A	98.7	Very high	98.6	Very high	26 Å²	26	47.9 Å²	47.9	22%	0.215	24%	0.243	C	C	.	.	H	α-helix	trans	-62.8	-40.2	178.5	0	0	0	0	0	112.1	A37 A38 A45 I152 A156	A37-A41 PolarHBondContact O-N 2.89Å; A38-A41 PolarHBondContact O-N 2.58Å; A41-A45 VanDerWaalsContact O-CB 3.26Å; A41-A45 WeakPolarHBondContact O-CB 3.37Å; A41-A45 PolarHBondContact O-N 2.92Å; A41-I152 HydrophobicContact CB-CG2 3.98Å; A41-A156 HydrophobicContact CB-CB 3.38Å
42	A	98.6	Very high	98.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.1	-41.8	174.2	0	0	0	0	0	112.5	A38 A39 L40 A45 R46 I121 V153	A38-A42 WeakPolarHBondContact O-CB 3.38Å; A38-A42 PolarHBondContact O-N 3.21Å; A39-A42 PolarHBondContact O-N 3.42Å; L40-A42 VanDerWaalsContact C-N 3.33Å; L40-A42 PolarHBondContact O-N 2.87Å; A42-A45 PolarHBondContact O-N 2.93Å; A42-R46 PolarHBondContact O-N 2.94Å; A42-I121 HydrophobicContact CB-CB 4.45Å; A42-I121 HydrophobicContact CB-CD1 4.06Å; A42-I121 HydrophobicContact CB-CG1 3.98Å; A42-I121 HydrophobicContact CB-CG2 3.61Å; A42-V153 HydrophobicContact CB-CG2 4.24Å
43	A	98.4	Very high	98.6	Very high	18 Å²	18	49 Å²	49	15%	0.149	25%	0.248	C	C	.	.	H	α-helix	trans	-66	-42.5	178.2	0	0	0	0	0	112.4	A39 L40 A45 R46 S73	A39-A43 WeakPolarHBondContact O-CB 3.47Å; A39-A43 PolarHBondContact O-N 2.94Å; L40-A43 PolarHBondContact O-N 2.8Å; A43-A45 VanDerWaalsContact C-N 3.34Å; A43-R46 VanDerWaalsContact O-CB 3.23Å; A43-R46 WeakPolarHBondContact O-CB 3.23Å; A43-R46 VanDerWaalsContact O-CD 3.27Å; A43-R46 WeakPolarHBondContact O-CD 3.49Å; A43-R46 WeakPolarHBondContact O-CG 3.43Å; A43-R46 PolarHBondContact O-N 3.49Å; A43-S73 WeakPolarHBondContact CB-OG 3.39Å
44	D	98.2	Very high	98.6	Very high	135 Å²	135	44.4 Å²	44.4	72%	0.722	23%	0.231	S	C	*	.	H	α-helix	trans	-67.1	-38	178.6	-163.4	43.5	0	0	0	111.3	L40 R46	L40-D44 WeakPolarHBondContact O-CB 3.21Å; L40-D44 PolarHBondContact O-N 3.05Å; D44-R46 PolarHBondContact O-N 3.37Å
45	A	98.5	Very high	98.6	Very high	14 Å²	14	48.4 Å²	48.4	12%	0.116	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	5	176.5	0	0	0	0	0	115	A41 A42 A43 I47 P48 L49 I152	A41-A45 VanDerWaalsContact O-CB 3.26Å; A41-A45 WeakPolarHBondContact O-CB 3.37Å; A41-A45 PolarHBondContact O-N 2.92Å; A42-A45 PolarHBondContact O-N 2.93Å; A43-A45 VanDerWaalsContact C-N 3.34Å; A45-I47 VanDerWaalsContact C-N 3.26Å; A45-I47 PolarHBondContact O-N 3.34Å; A45-I47 VanDerWaalsContact O-N 3.15Å; A45-P48 VanDerWaalsContact O-CD 3.31Å; A45-P48 WeakPolarHBondContact O-CD 3.31Å; A45-L49 HydrophobicContact CB-CD1 3.88Å; A45-L49 HydrophobicContact CB-CG 4.12Å; A45-L49 WeakPolarHBondContact O-CB 3.39Å; A45-L49 VanDerWaalsContact O-CG 3.3Å; A45-L49 WeakPolarHBondContact O-CG 3.32Å; A45-L49 PolarHBondContact O-N 3.35Å; A45-I152 HydrophobicContact CB-CD1 3.6Å; A45-I152 HydrophobicContact CB-CG2 4.02Å
46	R	98.6	Very high	98.5	Very high	79 Å²	79	50.6 Å²	50.6	30%	0.298	27%	0.274	S	S	.	.	H	α-helix	trans	-55.2	-37.1	-173.8	69.5	-174.1	-159.3	-72.2	-0.7	113.9	A42 A43 D44 A50 V66 N69	A42-R46 PolarHBondContact O-N 2.94Å; A43-R46 VanDerWaalsContact O-CB 3.23Å; A43-R46 WeakPolarHBondContact O-CB 3.23Å; A43-R46 VanDerWaalsContact O-CD 3.27Å; A43-R46 WeakPolarHBondContact O-CD 3.49Å; A43-R46 WeakPolarHBondContact O-CG 3.43Å; A43-R46 PolarHBondContact O-N 3.49Å; D44-R46 PolarHBondContact O-N 3.37Å; R46-A50 VanDerWaalsContact O-CB 3.25Å; R46-A50 WeakPolarHBondContact O-CB 3.46Å; R46-A50 PolarHBondContact O-N 2.93Å; R46-V66 HydrophobicContact CB-CG1 4.36Å; R46-V66 HydrophobicContact CG-CG1 3.84Å; R46-N69 HydrophobicContact CB-CB 4Å; R46-N69 PolarHBondContact O-ND2 3Å
47	I	98.6	Very high	98.5	Very high	70 Å²	70	44 Å²	44	36%	0.359	25%	0.25	S	C	.	.	H	α-helix	trans	-77.6	-54.5	-179	-56.8	177	0	0	0	111.9	A45 L49 A50 K51 V66	A45-I47 VanDerWaalsContact C-N 3.26Å; A45-I47 PolarHBondContact O-N 3.34Å; A45-I47 VanDerWaalsContact O-N 3.15Å; I47-L49 VanDerWaalsContact C-N 3.28Å; I47-L49 PolarHBondContact O-N 3.2Å; I47-A50 PolarHBondContact O-N 3.39Å; I47-K51 HydrophobicContact CG2-CD 4.41Å; I47-K51 PolarHBondContact O-N 2.94Å; I47-V66 HydrophobicContact CB-CG2 4.32Å; I47-V66 HydrophobicContact CG1-CG1 4.4Å; I47-V66 HydrophobicContact CG1-CG2 3.9Å
48	P	98.6	Very high	98.4	Very high	81 Å²	81	44.6 Å²	44.6	53%	0.526	26%	0.259	S	S	.	.	H	α-helix	trans	-54.5	-43	176.3	-27.2	33.6	0	0	0	113.4	A45 K51 M52	A45-P48 VanDerWaalsContact O-CD 3.31Å; A45-P48 WeakPolarHBondContact O-CD 3.31Å; P48-K51 PolarHBondContact O-N 2.99Å; P48-M52 WeakPolarHBondContact O-CB 3.5Å; P48-M52 PolarHBondContact O-N 2.9Å
49	L	98.7	Very high	98.3	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-66.1	-41.3	179.4	-70.3	177	0	0	0	112.3	A45 I47 K51 M52 A53 T117 I121 K148 A149 I152	A45-L49 HydrophobicContact CB-CD1 3.88Å; A45-L49 HydrophobicContact CB-CG 4.12Å; A45-L49 WeakPolarHBondContact O-CB 3.39Å; A45-L49 VanDerWaalsContact O-CG 3.3Å; A45-L49 WeakPolarHBondContact O-CG 3.32Å; A45-L49 PolarHBondContact O-N 3.35Å; I47-L49 VanDerWaalsContact C-N 3.28Å; I47-L49 PolarHBondContact O-N 3.2Å; L49-K51 PolarHBondContact O-N 3.36Å; L49-M52 PolarHBondContact O-N 2.87Å; L49-A53 WeakPolarHBondContact O-CB 3.16Å; L49-A53 PolarHBondContact O-N 2.85Å; L49-T117 HydrophobicContact CB-CG2 3.98Å; L49-T117 HydrophobicContact CD2-CG2 4.3Å; L49-I121 HydrophobicContact CD1-CD1 4.05Å; L49-K148 HydrophobicContact CD2-CB 4.3Å; L49-K148 HydrophobicContact CD2-CG 4.17Å; L49-A149 HydrophobicContact CD1-CB 4.03Å; L49-A149 HydrophobicContact CD2-CB 4.05Å; L49-I152 HydrophobicContact CD1-CD1 4.22Å; L49-I152 HydrophobicContact CD2-CD1 3.92Å; L49-I152 HydrophobicContact CG-CD1 4.14Å
50	A	98.7	Very high	98.2	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.5	-43.6	175.5	0	0	0	0	0	112	R46 I47 A53 V54 V62 K65 V66 N69	R46-A50 VanDerWaalsContact O-CB 3.25Å; R46-A50 WeakPolarHBondContact O-CB 3.46Å; R46-A50 PolarHBondContact O-N 2.93Å; I47-A50 PolarHBondContact O-N 3.39Å; A50-A53 PolarHBondContact O-N 3.38Å; A50-V54 WeakPolarHBondContact O-CG2 3.2Å; A50-V54 PolarHBondContact O-N 3.43Å; A50-V62 HydrophobicContact CB-CG1 4.16Å; A50-V62 WeakPolarHBondContact CB-O 3.5Å; A50-K65 HydrophobicContact CB-CB 3.67Å; A50-V66 HydrophobicContact CB-CG2 3.63Å; A50-N69 PolarHBondContact N-ND2 2.88Å
51	K	98.6	Very high	98.1	Very high	128 Å²	128	43.8 Å²	43.8	56%	0.557	26%	0.256	S	S	*	.	H	α-helix	trans	-61.4	-46.2	175.2	-71	-176.9	175.8	-173.7	0	111.9	I47 P48 L49 V54 A55 V62	I47-K51 HydrophobicContact CG2-CD 4.41Å; I47-K51 PolarHBondContact O-N 2.94Å; P48-K51 PolarHBondContact O-N 2.99Å; L49-K51 PolarHBondContact O-N 3.36Å; K51-V54 PolarHBondContact O-N 3.29Å; K51-A55 WeakPolarHBondContact O-CB 3.41Å; K51-A55 PolarHBondContact O-N 2.96Å; K51-V62 HydrophobicContact CG-CG1 3.83Å; K51-V62 HydrophobicContact CG-CG2 4.33Å
52	M	98.6	Very high	98.1	Very high	73 Å²	73	44.2 Å²	44.2	36%	0.36	26%	0.256	S	S	.	.	H	α-helix	trans	-62.2	-43.3	178.3	-169.4	175.9	-71.2	0	0	111.6	P48 L49 V54 A55 E56 A145 K148	P48-M52 WeakPolarHBondContact O-CB 3.5Å; P48-M52 PolarHBondContact O-N 2.9Å; L49-M52 PolarHBondContact O-N 2.87Å; M52-V54 PolarHBondContact O-N 3.02Å; M52-A55 PolarHBondContact O-N 3.35Å; M52-E56 WeakPolarHBondContact O-CB 3.31Å; M52-E56 PolarHBondContact O-N 2.88Å; M52-A145 HydrophobicContact CB-CB 4.34Å; M52-A145 HydrophobicContact CG-CB 3.93Å; M52-A145 HydrophobicContact SD-CB 4.39Å; M52-K148 HydrophobicContact CE-CB 4.42Å; M52-K148 HydrophobicContact CE-CG 4.11Å; M52-K148 HydrophobicContact SD-CB 3.74Å; M52-K148 HydrophobicContact SD-CG 4.07Å
53	A	98.5	Very high	98.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61	-45.1	177	0	0	0	0	0	112.2	L49 A50 S57 K65 P116 T117 A145	L49-A53 WeakPolarHBondContact O-CB 3.16Å; L49-A53 PolarHBondContact O-N 2.85Å; A50-A53 PolarHBondContact O-N 3.38Å; A53-S57 WeakPolarHBondContact O-CB 3.21Å; A53-S57 PolarHBondContact O-N 2.55Å; A53-S57 PolarHBondContact O-OG 3.02Å; A53-K65 HydrophobicContact CB-CD 3.75Å; A53-P116 HydrophobicContact CB-CG 3.92Å; A53-T117 HydrophobicContact CB-CG2 4.16Å; A53-A145 HydrophobicContact CB-CB 4.19Å
54	V	98.3	Very high	98.1	Very high	35 Å²	35	51 Å²	51	21%	0.212	29%	0.286	C	S	.	.	H	α-helix	trans	-65.8	-44.5	176.7	175.2	0	0	0	0	111.1	A50 K51 M52 E56 G58 V62 K65	A50-V54 WeakPolarHBondContact O-CG2 3.2Å; A50-V54 PolarHBondContact O-N 3.43Å; K51-V54 PolarHBondContact O-N 3.29Å; M52-V54 PolarHBondContact O-N 3.02Å; V54-E56 PolarHBondContact O-N 3.5Å; V54-G58 WeakPolarHBondContact O-CA 3.5Å; V54-G58 PolarHBondContact O-N 3.19Å; V54-V62 HydrophobicContact CB-CG2 4.25Å; V54-V62 HydrophobicContact CG2-CG2 3.92Å; V54-K65 HydrophobicContact CG2-CD 3.87Å
55	A	98.2	Very high	98.1	Very high	86 Å²	86	44.7 Å²	44.7	71%	0.711	25%	0.252	S	S	*	.	H	α-helix	trans	-62	-42.1	-178.9	0	0	0	0	0	112.7	K51 M52	K51-A55 WeakPolarHBondContact O-CB 3.41Å; K51-A55 PolarHBondContact O-N 2.96Å; M52-A55 PolarHBondContact O-N 3.35Å
56	E	98.1	Very high	98.1	Very high	46 Å²	46	44.9 Å²	44.9	22%	0.215	25%	0.251	C	S	.	.	H	α-helix	trans	-80.7	-44.7	-178.3	-163.2	-170.7	175.3	0	0	112.3	M52 V54 R141 A142 K143 D144 A145	M52-E56 WeakPolarHBondContact O-CB 3.31Å; M52-E56 PolarHBondContact O-N 2.88Å; V54-E56 PolarHBondContact O-N 3.5Å; E56-R141 CarbonylContact C-O 2.93Å; E56-R141 VanDerWaalsContact C-O 3.29Å; E56-A142 VanDerWaalsContact CD-CA 3.42Å; E56-A142 VanDerWaalsContact OE2-CA 3.23Å; E56-A142 WeakPolarHBondContact OE2-CA 3.48Å; E56-K143 VanDerWaalsContact OE1-CG 3.31Å; E56-K143 WeakPolarHBondContact OE1-CG 3.33Å; E56-K143 PolarHBondContact OE1-N 3.25Å; E56-K143 IonicContact OE1-NZ 3.66Å; E56-K143 PolarHBondContact OE2-N 3.29Å; E56-D144 VanDerWaalsContact CD-N 3.33Å; E56-D144 PolarHBondContact OE1-N 3.48Å; E56-D144 WeakPolarHBondContact OE2-CB 3.4Å; E56-D144 PolarHBondContact OE2-N 3.1Å; E56-A145 WeakPolarHBondContact OE2-CB 3.45Å; E56-A145 PolarHBondContact OE2-N 3.09Å
57	S	97.3	Very high	98.1	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.014	26%	0.259	C	S	.	.	H	α-helix	trans	-79.8	-25.4	-175	71.6	0	0	0	0	113.3	A53 M59 R141	A53-S57 WeakPolarHBondContact O-CB 3.21Å; A53-S57 PolarHBondContact O-N 2.55Å; A53-S57 PolarHBondContact O-OG 3.02Å; S57-M59 PolarHBondContact O-N 3.24Å; S57-M59 VanDerWaalsContact OG-CG 3.31Å; S57-M59 WeakPolarHBondContact OG-CG 3.36Å; S57-M59 PolarHBondContact OG-N 3.1Å; S57-M59 PolarHBondContact OG-O 3.38Å; S57-R141 WeakPolarHBondContact CA-O 3.03Å; S57-R141 PolarHBondContact N-O 3.41Å; S57-R141 PolarHBondContact O-NH2 3.26Å
58	G	96.8	Very high	98.1	Very high	41 Å²	41	42.3 Å²	42.3	42%	0.423	24%	0.243	S	C	.	.			trans	68.2	15.2	-173.8	0	0	0	0	0	114.2	V54 Q299	V54-G58 WeakPolarHBondContact O-CA 3.5Å; V54-G58 PolarHBondContact O-N 3.19Å; G58-Q299 PolarHBondContact O-NE2 3.46Å
59	M	96.6	Very high	98.1	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.015	22%	0.218	C	C	.	.			trans	-134.4	156.8	-176.7	65.6	178.5	70.3	0	0	112.8	S57 K65 T113 V244 V297	S57-M59 PolarHBondContact O-N 3.24Å; S57-M59 VanDerWaalsContact OG-CG 3.31Å; S57-M59 WeakPolarHBondContact OG-CG 3.36Å; S57-M59 PolarHBondContact OG-N 3.1Å; S57-M59 PolarHBondContact OG-O 3.38Å; M59-K65 WeakPolarHBondContact O-CE 3.06Å; M59-K65 PolarHBondContact O-NZ 3.18Å; M59-T113 HydrophobicContact CE-CG2 3.73Å; M59-T113 HydrophobicContact SD-CG2 4Å; M59-V244 HydrophobicContact SD-CG2 3.89Å; M59-V297 WeakPolarHBondContact CB-O 3.35Å; M59-V297 HydrophobicContact CE-CG1 4.21Å; M59-V297 HydrophobicContact SD-CG1 4.04Å
60	G	96.8	Very high	98.1	Very high	12 Å²	12	41.1 Å²	41.1	12%	0.124	23%	0.23	C	C	.	.	S	Bend	trans	80.1	-167.8	-179.8	0	0	0	0	0	113.5	D241 G298	G60-D241 WeakPolarHBondContact CA-OD1 3.38Å; G60-G298 PolarHBondContact N-O 3.27Å
61	I	97.7	Very high	98.1	Very high	68 Å²	68	41.4 Å²	41.4	35%	0.349	23%	0.232	S	C	.	.			trans	-135	146.9	-179.9	-165.4	172	0	0	0	110.6	E63 D64 K65 D241	I61-E63 WeakPolarHBondContact CG1-OE2 3.47Å; I61-E63 PolarHBondContact O-N 3.32Å; I61-D64 HydrophobicContact CG2-CB 3.6Å; I61-D64 VanDerWaalsContact CG2-CG 3.43Å; I61-D64 WeakPolarHBondContact CG2-OD2 3.33Å; I61-D64 PolarHBondContact O-N 2.7Å; I61-K65 WeakPolarHBondContact O-CG 3.15Å; I61-K65 PolarHBondContact O-N 2.84Å; I61-K65 VanDerWaalsContact O-N 3.12Å; I61-D241 PolarHBondContact N-OD1 2.86Å
62	V	98.3	Very high	98.1	Very high	35 Å²	35	35.3 Å²	35.3	21%	0.212	21%	0.205	C	C	.	.	H	α-helix	trans	-62.2	-48.2	-169.4	174.6	0	0	0	0	110.9	A50 K51 V54 D64 K65 V66	A50-V62 HydrophobicContact CB-CG1 4.16Å; A50-V62 WeakPolarHBondContact CB-O 3.5Å; K51-V62 HydrophobicContact CG-CG1 3.83Å; K51-V62 HydrophobicContact CG-CG2 4.33Å; V54-V62 HydrophobicContact CB-CG2 4.25Å; V54-V62 HydrophobicContact CG2-CG2 3.92Å; V62-D64 VanDerWaalsContact C-N 3.33Å; V62-D64 PolarHBondContact O-N 2.91Å; V62-K65 PolarHBondContact O-N 3.42Å; V62-V66 HydrophobicContact CG1-CG2 4.47Å; V62-V66 WeakPolarHBondContact O-CG2 2.91Å; V62-V66 PolarHBondContact O-N 3.05Å
63	E	98.4	Very high	98.1	Very high	124 Å²	124	31.8 Å²	31.8	58%	0.579	19%	0.188	S	C	*	.	H	α-helix	trans	-60.4	-41.6	-175.8	-68.4	76.3	-172.6	0	0	111.7	I61 V66 I67	I61-E63 WeakPolarHBondContact CG1-OE2 3.47Å; I61-E63 PolarHBondContact O-N 3.32Å; E63-V66 VanDerWaalsContact O-CB 3.31Å; E63-V66 WeakPolarHBondContact O-CB 3.36Å; E63-V66 PolarHBondContact O-N 2.92Å; E63-I67 PolarHBondContact O-N 3.16Å
64	D	98.4	Very high	98.1	Very high	37 Å²	37	36.6 Å²	36.6	20%	0.198	21%	0.21	C	C	.	.	H	α-helix	trans	-74.6	-36.3	179.8	-65.4	-19.9	0	0	0	111.8	I61 V62 V66 I67 K68 F240 D241	I61-D64 HydrophobicContact CG2-CB 3.6Å; I61-D64 VanDerWaalsContact CG2-CG 3.43Å; I61-D64 WeakPolarHBondContact CG2-OD2 3.33Å; I61-D64 PolarHBondContact O-N 2.7Å; V62-D64 VanDerWaalsContact C-N 3.33Å; V62-D64 PolarHBondContact O-N 2.91Å; D64-V66 VanDerWaalsContact C-N 3.26Å; D64-V66 PolarHBondContact O-N 3.29Å; D64-I67 PolarHBondContact O-N 3.45Å; D64-K68 WeakPolarHBondContact O-CG 3.14Å; D64-K68 PolarHBondContact O-N 3.37Å; D64-F240 HydrophobicContact CB-CD2 3.65Å; D64-F240 HydrophobicContact CB-CE2 3.64Å; D64-F240 HydrophobicContact CB-CG 4.32Å; D64-F240 HydrophobicContact CB-CZ 4.31Å; D64-F240 VanDerWaalsContact CG-CD2 3.41Å; D64-F240 WeakPolarHBondContact OD1-CD2 3.43Å; D64-F240 WeakPolarHBondContact OD2-CA 3.41Å; D64-D241 HydrophobicContact CB-CB 3.88Å; D64-D241 VanDerWaalsContact CB-N 3.34Å; D64-D241 PolarHBondContact OD2-N 2.9Å
65	K	98.4	Very high	98.1	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.009	21%	0.214	C	C	.	.	H	α-helix	trans	-64.9	-30.3	170.9	-68.4	-166.6	-162.1	-57.3	0	112.4	A50 A53 V54 M59 I61 V62 K68 N69 D241	A50-K65 HydrophobicContact CB-CB 3.67Å; A53-K65 HydrophobicContact CB-CD 3.75Å; V54-K65 HydrophobicContact CG2-CD 3.87Å; M59-K65 WeakPolarHBondContact O-CE 3.06Å; M59-K65 PolarHBondContact O-NZ 3.18Å; I61-K65 WeakPolarHBondContact O-CG 3.15Å; I61-K65 PolarHBondContact O-N 2.84Å; I61-K65 VanDerWaalsContact O-N 3.12Å; V62-K65 PolarHBondContact O-N 3.42Å; K65-K68 PolarHBondContact O-N 3.35Å; K65-N69 WeakPolarHBondContact O-CB 3.42Å; K65-N69 VanDerWaalsContact O-CG 3.28Å; K65-N69 PolarHBondContact O-N 2.88Å; K65-N69 PolarHBondContact O-ND2 3.02Å; K65-D241 WeakPolarHBondContact CE-OD1 3.39Å; K65-D241 VanDerWaalsContact CG-OD1 3.31Å; K65-D241 WeakPolarHBondContact CG-OD1 3.44Å; K65-D241 VanDerWaalsContact NZ-CG 3.28Å; K65-D241 IonicContact NZ-OD1 2.99Å; K65-D241 PolarHBondContact NZ-OD1 2.79Å; K65-D241 IonicContact NZ-OD2 2.76Å; K65-D241 PolarHBondContact NZ-OD2 3.37Å
66	V	98.6	Very high	98.1	Very high	18 Å²	18	34.3 Å²	34.3	11%	0.109	18%	0.18	C	C	.	.	H	α-helix	trans	-60.6	-47.9	170.9	166	0	0	0	0	110.2	R46 I47 A50 V62 E63 D64 K68 N69 H70	R46-V66 HydrophobicContact CB-CG1 4.36Å; R46-V66 HydrophobicContact CG-CG1 3.84Å; I47-V66 HydrophobicContact CB-CG2 4.32Å; I47-V66 HydrophobicContact CG1-CG1 4.4Å; I47-V66 HydrophobicContact CG1-CG2 3.9Å; A50-V66 HydrophobicContact CB-CG2 3.63Å; V62-V66 HydrophobicContact CG1-CG2 4.47Å; V62-V66 WeakPolarHBondContact O-CG2 2.91Å; V62-V66 PolarHBondContact O-N 3.05Å; E63-V66 VanDerWaalsContact O-CB 3.31Å; E63-V66 WeakPolarHBondContact O-CB 3.36Å; E63-V66 PolarHBondContact O-N 2.92Å; D64-V66 VanDerWaalsContact C-N 3.26Å; D64-V66 PolarHBondContact O-N 3.29Å; V66-K68 VanDerWaalsContact C-N 3.33Å; V66-K68 PolarHBondContact O-N 3.22Å; V66-N69 PolarHBondContact O-N 3.27Å; V66-H70 WeakPolarHBondContact O-CB 3.43Å; V66-H70 PolarHBondContact O-N 3.16Å
67	I	98.3	Very high	98.1	Very high	89 Å²	89	35.1 Å²	35.1	46%	0.456	18%	0.181	S	C	.	.	H	α-helix	trans	-60.5	-43.6	177.2	-57.7	-54.6	0	0	0	110.8	E63 D64 H70 F71 F240	E63-I67 PolarHBondContact O-N 3.16Å; D64-I67 PolarHBondContact O-N 3.45Å; I67-H70 PolarHBondContact O-N 2.87Å; I67-F71 WeakPolarHBondContact O-CB 3.32Å; I67-F71 PolarHBondContact O-N 3.17Å; I67-F240 HydrophobicContact CB-CE2 3.88Å; I67-F240 HydrophobicContact CB-CZ 3.84Å; I67-F240 HydrophobicContact CG1-CE2 4.26Å; I67-F240 HydrophobicContact CG2-CE2 4.04Å; I67-F240 HydrophobicContact CG2-CZ 3.8Å
68	K	98.3	Very high	98.2	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-62.9	-43.8	178.1	-67.9	165.6	66.7	-168.1	0	113.1	D64 K65 V66 H70 A72 T114 N115 S118 F240 D241 I245	D64-K68 WeakPolarHBondContact O-CG 3.14Å; D64-K68 PolarHBondContact O-N 3.37Å; K65-K68 PolarHBondContact O-N 3.35Å; V66-K68 VanDerWaalsContact C-N 3.33Å; V66-K68 PolarHBondContact O-N 3.22Å; K68-H70 VanDerWaalsContact C-N 3.3Å; K68-A72 WeakPolarHBondContact O-CB 3.3Å; K68-A72 PolarHBondContact O-N 3.23Å; K68-T114 PolarHBondContact NZ-O 3.3Å; K68-T114 VanDerWaalsContact NZ-O 3.1Å; K68-N115 WeakPolarHBondContact CE-OD1 3.07Å; K68-N115 PolarHBondContact NZ-OD1 3.29Å; K68-S118 WeakPolarHBondContact O-CB 3.4Å; K68-F240 HydrophobicContact CD-CE1 4.14Å; K68-F240 HydrophobicContact CD-CZ 4.46Å; K68-F240 HydrophobicContact CG-CE1 3.74Å; K68-F240 HydrophobicContact CG-CZ 3.82Å; K68-D241 HydrophobicContact CD-CB 4.14Å; K68-D241 IonicContact NZ-OD2 3.69Å; K68-D241 PolarHBondContact NZ-OD2 3.4Å; K68-I245 HydrophobicContact CD-CD1 4.01Å; K68-I245 HydrophobicContact CD-CG1 4.47Å; K68-I245 HydrophobicContact CG-CD1 4.34Å
69	N	98.6	Very high	98.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.8	-40.6	176.3	-72.8	-23.5	0	0	0	111	R46 A50 K65 V66 A72 S73 T117 S118 I121	R46-N69 HydrophobicContact CB-CB 4Å; R46-N69 PolarHBondContact O-ND2 3Å; A50-N69 PolarHBondContact N-ND2 2.88Å; K65-N69 WeakPolarHBondContact O-CB 3.42Å; K65-N69 VanDerWaalsContact O-CG 3.28Å; K65-N69 PolarHBondContact O-N 2.88Å; K65-N69 PolarHBondContact O-ND2 3.02Å; V66-N69 PolarHBondContact O-N 3.27Å; N69-A72 PolarHBondContact O-N 3.12Å; N69-S73 PolarHBondContact O-N 3.41Å; N69-S73 PolarHBondContact O-OG 2.95Å; N69-T117 PolarHBondContact ND2-OG1 3.27Å; N69-T117 VanDerWaalsContact OD1-CB 3.28Å; N69-T117 WeakPolarHBondContact OD1-CB 3.49Å; N69-T117 PolarHBondContact OD1-OG1 3.02Å; N69-S118 PolarHBondContact OD1-N 3.38Å; N69-I121 HydrophobicContact CB-CD1 4.16Å
70	H	98.3	Very high	98.3	Very high	58 Å²	58	39.9 Å²	39.9	27%	0.269	20%	0.202	S	C	.	.	H	α-helix	trans	-69.5	-41.1	179.4	-155.6	-170.6	0	0	0	112.2	V66 I67 K68 A72 S73 E74	V66-H70 WeakPolarHBondContact O-CB 3.43Å; V66-H70 PolarHBondContact O-N 3.16Å; I67-H70 PolarHBondContact O-N 2.87Å; K68-H70 VanDerWaalsContact C-N 3.3Å; H70-A72 PolarHBondContact O-N 3.18Å; H70-S73 PolarHBondContact O-N 3.37Å; H70-S73 PolarHBondContact O-OG 2.76Å; H70-E74 IonicContact CE1-OE2 3.04Å; H70-E74 IonicContact NE2-OE2 2.97Å; H70-E74 WeakPolarHBondContact O-CB 3.33Å; H70-E74 PolarHBondContact O-N 2.99Å
71	F	98.5	Very high	98.4	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.026	21%	0.209	C	C	.	.	H	α-helix	trans	-58	-48.6	171.9	175.3	-92.1	0	0	0	111	I67 S73 Y75 I76 I405 G406 L408 P415 L417	I67-F71 WeakPolarHBondContact O-CB 3.32Å; I67-F71 PolarHBondContact O-N 3.17Å; F71-S73 PolarHBondContact O-N 3.06Å; F71-S73 VanDerWaalsContact O-N 3.09Å; F71-Y75 HydrophobicContact CD2-CD1 4.02Å; F71-Y75 AromaticContact CD2-CD2 3.76Å; F71-Y75 HydrophobicContact CD2-CD2 3.76Å; F71-Y75 HydrophobicContact CD2-CE2 4.47Å; F71-Y75 AromaticContact CD2-CG 3.51Å; F71-Y75 HydrophobicContact CD2-CG 3.51Å; F71-Y75 AromaticContact CE2-CD1 3.91Å; F71-Y75 HydrophobicContact CE2-CD1 3.91Å; F71-Y75 HydrophobicContact CE2-CD2 4.45Å; F71-Y75 AromaticContact CE2-CG 3.75Å; F71-Y75 HydrophobicContact CE2-CG 3.75Å; F71-Y75 HydrophobicContact CG-CD2 4.48Å; F71-Y75 HydrophobicContact CG-CG 4.42Å; F71-Y75 WeakPolarHBondContact O-CB 3.44Å; F71-Y75 PolarHBondContact O-N 2.83Å; F71-I76 HydrophobicContact CE1-CD1 4.48Å; F71-I76 PolarHBondContact O-N 3.32Å; F71-I405 HydrophobicContact CD1-CD1 3.91Å; F71-I405 HydrophobicContact CD2-CD1 4.01Å; F71-I405 HydrophobicContact CE1-CB 3.94Å; F71-I405 HydrophobicContact CE1-CD1 3.8Å; F71-I405 HydrophobicContact CE1-CG1 4.08Å; F71-I405 HydrophobicContact CE2-CD1 3.9Å; F71-I405 HydrophobicContact CE2-CG1 4.12Å; F71-I405 HydrophobicContact CG-CD1 4.02Å; F71-I405 HydrophobicContact CZ-CB 3.91Å; F71-I405 HydrophobicContact CZ-CD1 3.79Å; F71-I405 HydrophobicContact CZ-CG1 3.77Å; F71-I405 WeakPolarHBondContact CZ-O 3.44Å; F71-G406 WeakPolarHBondContact CE2-O 3.4Å; F71-L408 HydrophobicContact CD2-CD1 4.17Å; F71-L408 HydrophobicContact CD2-CG 4.23Å; F71-L408 HydrophobicContact CE2-CD1 4.29Å; F71-L408 HydrophobicContact CE2-CG 4.14Å; F71-P415 HydrophobicContact CE1-CB 4.35Å; F71-P415 HydrophobicContact CE2-CB 4.16Å; F71-P415 HydrophobicContact CZ-CB 3.58Å; F71-L417 HydrophobicContact CD1-CD2 4.47Å; F71-L417 HydrophobicContact CD1-CG 4.44Å; F71-L417 HydrophobicContact CE1-CD2 4.48Å; F71-L417 HydrophobicContact CE1-CG 4.41Å
72	A	98.4	Very high	98.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.8	-20.7	179.4	0	0	0	0	0	113.7	K68 N69 H70 I76 S118 I121 F122 L125 L417	K68-A72 WeakPolarHBondContact O-CB 3.3Å; K68-A72 PolarHBondContact O-N 3.23Å; N69-A72 PolarHBondContact O-N 3.12Å; H70-A72 PolarHBondContact O-N 3.18Å; A72-I76 WeakPolarHBondContact O-CB 3.41Å; A72-I76 WeakPolarHBondContact O-CG1 3.48Å; A72-S118 VanDerWaalsContact CB-O 3.29Å; A72-S118 WeakPolarHBondContact CB-O 3.44Å; A72-I121 HydrophobicContact CB-CB 4.05Å; A72-I121 HydrophobicContact CB-CG2 3.86Å; A72-I121 WeakPolarHBondContact O-CG2 3.3Å; A72-F122 HydrophobicContact CB-CB 4.28Å; A72-L125 WeakPolarHBondContact O-CD1 3.46Å; A72-L417 HydrophobicContact CB-CD1 3.8Å
73	S	98.3	Very high	98.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-96.6	-60.6	174	55.3	0	0	0	0	113	A39 A43 N69 H70 F71 Y77	A39-S73 WeakPolarHBondContact O-CB 3.35Å; A43-S73 WeakPolarHBondContact CB-OG 3.39Å; N69-S73 PolarHBondContact O-N 3.41Å; N69-S73 PolarHBondContact O-OG 2.95Å; H70-S73 PolarHBondContact O-N 3.37Å; H70-S73 PolarHBondContact O-OG 2.76Å; F71-S73 PolarHBondContact O-N 3.06Å; F71-S73 VanDerWaalsContact O-N 3.09Å; S73-Y77 WeakPolarHBondContact O-CB 3.31Å; S73-Y77 PolarHBondContact O-N 3.48Å
74	E	98.7	Very high	98.4	Very high	101 Å²	101	46 Å²	46	47%	0.472	23%	0.225	S	C	.	.	H	α-helix	trans	-73.4	-50.7	-167	-179.3	176.4	-147.9	0	0	111.8	H70 Y77 N78	H70-E74 IonicContact CE1-OE2 3.04Å; H70-E74 IonicContact NE2-OE2 2.97Å; H70-E74 WeakPolarHBondContact O-CB 3.33Å; H70-E74 PolarHBondContact O-N 2.99Å; E74-Y77 PolarHBondContact O-N 3.14Å; E74-N78 WeakPolarHBondContact O-CB 3.43Å; E74-N78 PolarHBondContact O-N 3.35Å
75	Y	98.6	Very high	98.4	Very high	73 Å²	73	44.3 Å²	44.3	29%	0.286	22%	0.216	S	C	.	.	H	α-helix	trans	-69.3	-39.4	-177.8	-78.4	-102.9	0	0	0	111.3	F71 N78 A79 D407 L408	F71-Y75 HydrophobicContact CD2-CD1 4.02Å; F71-Y75 AromaticContact CD2-CD2 3.76Å; F71-Y75 HydrophobicContact CD2-CD2 3.76Å; F71-Y75 HydrophobicContact CD2-CE2 4.47Å; F71-Y75 AromaticContact CD2-CG 3.51Å; F71-Y75 HydrophobicContact CD2-CG 3.51Å; F71-Y75 AromaticContact CE2-CD1 3.91Å; F71-Y75 HydrophobicContact CE2-CD1 3.91Å; F71-Y75 HydrophobicContact CE2-CD2 4.45Å; F71-Y75 AromaticContact CE2-CG 3.75Å; F71-Y75 HydrophobicContact CE2-CG 3.75Å; F71-Y75 HydrophobicContact CG-CD2 4.48Å; F71-Y75 HydrophobicContact CG-CG 4.42Å; F71-Y75 WeakPolarHBondContact O-CB 3.44Å; F71-Y75 PolarHBondContact O-N 2.83Å; Y75-N78 PolarHBondContact O-N 2.94Å; Y75-A79 WeakPolarHBondContact O-CB 3.44Å; Y75-A79 PolarHBondContact O-N 3.01Å; Y75-D407 HydrophobicContact CD1-CB 3.93Å; Y75-D407 WeakPolarHBondContact CD1-OD2 3.49Å; Y75-D407 HydrophobicContact CE1-CB 4.46Å; Y75-D407 WeakPolarHBondContact CE1-OD2 3.41Å; Y75-L408 HydrophobicContact CD1-CD2 4.33Å; Y75-L408 HydrophobicContact CE1-CD2 3.53Å; Y75-L408 HydrophobicContact CE1-CG 4.18Å; Y75-L408 HydrophobicContact CE2-CD2 4.02Å; Y75-L408 VanDerWaalsContact OH-CD2 3.28Å; Y75-L408 WeakPolarHBondContact OH-CD2 3.47Å
76	I	98.7	Very high	98.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63	-45	173.8	-57.4	-55.4	0	0	0	111	F71 A72 Y80 F122 L125 I126 P415	F71-I76 HydrophobicContact CE1-CD1 4.48Å; F71-I76 PolarHBondContact O-N 3.32Å; A72-I76 WeakPolarHBondContact O-CB 3.41Å; A72-I76 WeakPolarHBondContact O-CG1 3.48Å; I76-Y80 HydrophobicContact CD1-CE2 4.3Å; I76-Y80 HydrophobicContact CG2-CD2 3.77Å; I76-Y80 HydrophobicContact CG2-CE2 4.12Å; I76-Y80 WeakPolarHBondContact O-CB 3.38Å; I76-Y80 WeakPolarHBondContact O-CD2 3.48Å; I76-Y80 PolarHBondContact O-N 2.98Å; I76-F122 HydrophobicContact CD1-CD2 3.54Å; I76-F122 HydrophobicContact CD1-CE2 3.93Å; I76-F122 HydrophobicContact CG1-CD2 3.91Å; I76-F122 HydrophobicContact CG2-CD2 4.29Å; I76-L125 HydrophobicContact CG2-CB 4.35Å; I76-I126 HydrophobicContact CG2-CG2 3.83Å; I76-P415 HydrophobicContact CD1-CB 3.96Å; I76-P415 HydrophobicContact CD1-CG 4.28Å; I76-P415 WeakPolarHBondContact CD1-O 3.16Å
77	Y	98.7	Very high	98.3	Very high	62 Å²	62	45.5 Å²	45.5	24%	0.243	23%	0.229	C	C	.	.	H	α-helix	trans	-62.8	-47	175.1	177.2	-95.3	0	0	0	111.3	F35 R36 A39 S73 E74 A79 Y80 K81	F35-Y77 AromaticContact CD1-CD2 3.49Å; F35-Y77 HydrophobicContact CD1-CD2 3.49Å; F35-Y77 VanDerWaalsContact CD1-CD2 3.49Å; F35-Y77 AromaticContact CD1-CE2 3.75Å; F35-Y77 HydrophobicContact CD1-CE2 3.75Å; F35-Y77 AromaticContact CE1-CD2 3.48Å; F35-Y77 HydrophobicContact CE1-CD2 3.48Å; F35-Y77 VanDerWaalsContact CE1-CD2 3.48Å; F35-Y77 HydrophobicContact CE1-CE2 4.11Å; F35-Y77 HydrophobicContact CE1-CG 4.21Å; F35-Y77 HydrophobicContact CG-CD2 4.24Å; F35-Y77 HydrophobicContact CZ-CD2 4.25Å; R36-Y77 HydrophobicContact CB-CE2 3.61Å; R36-Y77 WeakPolarHBondContact CD-OH 3.46Å; R36-Y77 HydrophobicContact CG-CE2 3.93Å; A39-Y77 HydrophobicContact CB-CD2 3.98Å; A39-Y77 HydrophobicContact CB-CG 4.14Å; S73-Y77 WeakPolarHBondContact O-CB 3.31Å; S73-Y77 PolarHBondContact O-N 3.48Å; E74-Y77 PolarHBondContact O-N 3.14Å; Y77-A79 PolarHBondContact O-N 3.47Å; Y77-Y80 PolarHBondContact O-N 3.29Å; Y77-K81 HydrophobicContact CD1-CB 4.48Å; Y77-K81 HydrophobicContact CD1-CD 4.21Å; Y77-K81 HydrophobicContact CD2-CB 4.3Å; Y77-K81 HydrophobicContact CE1-CB 4.16Å; Y77-K81 HydrophobicContact CE1-CD 3.71Å; Y77-K81 HydrophobicContact CE2-CB 3.95Å; Y77-K81 WeakPolarHBondContact O-CB 3.47Å; Y77-K81 WeakPolarHBondContact O-CG 3.03Å; Y77-K81 PolarHBondContact O-N 3.08Å
78	N	98.6	Very high	98.3	Very high	90 Å²	90	43.7 Å²	43.7	48%	0.481	22%	0.222	S	C	.	.	H	α-helix	trans	-57	-48.8	-177.7	-173.2	-79.7	0	0	0	112	E74 Y75	E74-N78 WeakPolarHBondContact O-CB 3.43Å; E74-N78 PolarHBondContact O-N 3.35Å; Y75-N78 PolarHBondContact O-N 2.94Å
79	A	98.3	Very high	98.2	Very high	41 Å²	41	45.7 Å²	45.7	34%	0.339	23%	0.233	S	C	.	.	H	α-helix	trans	-70.2	-36	-177.2	0	0	0	0	0	113.5	Y75 Y77 P415	Y75-A79 WeakPolarHBondContact O-CB 3.44Å; Y75-A79 PolarHBondContact O-N 3.01Å; Y77-A79 PolarHBondContact O-N 3.47Å; A79-P415 HydrophobicContact CB-CG 3.43Å; A79-P415 VanDerWaalsContact CB-CG 3.43Å
80	Y	98.6	Very high	98.2	Very high	16 Å²	16	48.8 Å²	48.8	6%	0.063	25%	0.254	C	S	.	.	H	α-helix	trans	-109.3	-6.3	-168.1	-57	-46.8	0	0	0	115	I76 Y77 D82 E83 I126 K129 P415 P435	I76-Y80 HydrophobicContact CD1-CE2 4.3Å; I76-Y80 HydrophobicContact CG2-CD2 3.77Å; I76-Y80 HydrophobicContact CG2-CE2 4.12Å; I76-Y80 WeakPolarHBondContact O-CB 3.38Å; I76-Y80 WeakPolarHBondContact O-CD2 3.48Å; I76-Y80 PolarHBondContact O-N 2.98Å; Y77-Y80 PolarHBondContact O-N 3.29Å; Y80-D82 VanDerWaalsContact C-N 3.25Å; Y80-D82 PolarHBondContact O-N 3.47Å; Y80-E83 VanDerWaalsContact CD1-OE2 3.28Å; Y80-E83 WeakPolarHBondContact CD1-OE2 3.48Å; Y80-E83 PolarHBondContact O-N 3.38Å; Y80-I126 HydrophobicContact CD2-CG2 4.08Å; Y80-I126 HydrophobicContact CE2-CG2 4.16Å; Y80-K129 WeakPolarHBondContact O-CE 3.36Å; Y80-P415 PolarHBondContact OH-O 2.67Å; Y80-P435 HydrophobicContact CD1-CG 3.75Å; Y80-P435 HydrophobicContact CD2-CG 3.83Å; Y80-P435 VanDerWaalsContact CE1-CD 3.48Å; Y80-P435 HydrophobicContact CE1-CG 4.25Å; Y80-P435 HydrophobicContact CE2-CG 4.31Å; Y80-P435 HydrophobicContact CG-CG 3.53Å
81	K	98.4	Very high	98.2	Very high	62 Å²	62	51.3 Å²	51.3	27%	0.27	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-37.6	-179.7	65.4	-169.4	-177.3	-172.3	0	112.7	F35 Y77 K129	F35-K81 HydrophobicContact CD1-CB 4.48Å; F35-K81 HydrophobicContact CE1-CB 4.22Å; Y77-K81 HydrophobicContact CD1-CB 4.48Å; Y77-K81 HydrophobicContact CD1-CD 4.21Å; Y77-K81 HydrophobicContact CD2-CB 4.3Å; Y77-K81 HydrophobicContact CE1-CB 4.16Å; Y77-K81 HydrophobicContact CE1-CD 3.71Å; Y77-K81 HydrophobicContact CE2-CB 3.95Å; Y77-K81 WeakPolarHBondContact O-CB 3.47Å; Y77-K81 WeakPolarHBondContact O-CG 3.03Å; Y77-K81 PolarHBondContact O-N 3.08Å; K81-K129 PolarHBondContact O-NZ 3.41Å
82	D	98	Very high	98.2	Very high	137 Å²	137	54 Å²	54	73%	0.733	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-1.7	-176.5	-59.2	-45.4	0	0	0	112.6	Y80 K84	Y80-D82 VanDerWaalsContact C-N 3.25Å; Y80-D82 PolarHBondContact O-N 3.47Å; D82-K84 PolarHBondContact O-N 3.22Å; D82-K84 VanDerWaalsContact O-N 3.16Å
83	E	98.1	Very high	98.1	Very high	55 Å²	55	59.7 Å²	59.7	26%	0.257	31%	0.312	S	S	.	.			trans	-70.3	113.6	177.2	-168.1	175.8	-178.6	0	0	109.9	Y80 T85 K129	Y80-E83 VanDerWaalsContact CD1-OE2 3.28Å; Y80-E83 WeakPolarHBondContact CD1-OE2 3.48Å; Y80-E83 PolarHBondContact O-N 3.38Å; E83-T85 HydrophobicContact CG-CG2 4.29Å; E83-T85 PolarHBondContact O-N 2.9Å; E83-T85 PolarHBondContact O-OG1 2.92Å; E83-K129 WeakPolarHBondContact O-CE 3.43Å; E83-K129 PolarHBondContact O-NZ 3.39Å
84	K	98.1	Very high	98	Very high	113 Å²	113	65.6 Å²	65.6	49%	0.491	35%	0.348	S	S	.	.			trans	-66.2	121.6	177.1	-163.1	173.4	-168.2	-174.8	0	109.4	D82 V88 L89	D82-K84 PolarHBondContact O-N 3.22Å; D82-K84 VanDerWaalsContact O-N 3.16Å; K84-V88 VanDerWaalsContact CD-O 3.28Å; K84-V88 WeakPolarHBondContact CD-O 3.28Å; K84-V88 WeakPolarHBondContact CE-O 3.36Å; K84-V88 PolarHBondContact NZ-O 3.06Å; K84-L89 HydrophobicContact CB-CD2 4.22Å; K84-L89 HydrophobicContact CG-CD2 4.15Å; K84-L89 WeakPolarHBondContact O-CD2 3.21Å
85	T	98.2	Very high	97.9	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.006	36%	0.356	C	S	.	.			trans	-137.2	-5	-171.8	39.5	0	0	0	0	112.1	Q28 E83 A101 K129 T130 P435	Q28-T85 PolarHBondContact NE2-OG1 3.18Å; E83-T85 HydrophobicContact CG-CG2 4.29Å; E83-T85 PolarHBondContact O-N 2.9Å; E83-T85 PolarHBondContact O-OG1 2.92Å; T85-A101 WeakPolarHBondContact O-CB 3.41Å; T85-K129 HydrophobicContact CG2-CG 4.46Å; T85-K129 WeakPolarHBondContact OG1-CE 3.46Å; T85-K129 PolarHBondContact OG1-O 2.78Å; T85-T130 HydrophobicContact CG2-CG2 4.14Å; T85-P435 HydrophobicContact CG2-CB 4.26Å
86	C	97.8	Very high	97.8	Very high	21 Å²	21	64.5 Å²	64.5	14%	0.142	35%	0.345	C	S	.	.	S	Bend	trans	-111.8	129.4	173.8	172.5	0	0	0	0	110.9	Q28 R131	Q28-C86 HydrophobicContact CB-CB 4.01Å; C86-R131 PolarHBondContact SG-NH1 3.1Å
87	G	96.7	Very high	97.8	Very high	24 Å²	24	66.9 Å²	66.9	25%	0.247	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	69.8	-142.9	170.2	0	0	0	0	0	113.1	L89 I100 A101	G87-L89 PolarHBondContact O-N 2.99Å; G87-I100 CarbonylContact O-C 3.49Å; G87-I100 WeakPolarHBondContact O-CA 3.1Å; G87-A101 PolarHBondContact O-N 3.03Å
88	V	97.9	Very high	97.8	Very high	51 Å²	51	65.2 Å²	65.2	31%	0.309	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	113.9	-175	178	0	0	0	0	111	K84 E91 I98 T99 I100	K84-V88 VanDerWaalsContact CD-O 3.28Å; K84-V88 WeakPolarHBondContact CD-O 3.28Å; K84-V88 WeakPolarHBondContact CE-O 3.36Å; K84-V88 PolarHBondContact NZ-O 3.06Å; V88-E91 HydrophobicContact CG1-CB 4.16Å; V88-I98 HydrophobicContact CB-CG2 4.24Å; V88-I98 HydrophobicContact CG1-CG2 3.58Å; V88-I98 HydrophobicContact CG2-CG2 3.72Å; V88-T99 CarbonylContact C-O 3.57Å; V88-T99 WeakPolarHBondContact CA-O 3.48Å; V88-I100 HydrophobicContact CG2-CG1 4.2Å
89	L	97.8	Very high	97.8	Very high	48 Å²	48	62.1 Å²	62.1	25%	0.251	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-45.6	173.7	-59.8	-170.3	0	0	0	112.2	K84 G87 T99 A101 I439 K441	K84-L89 HydrophobicContact CB-CD2 4.22Å; K84-L89 HydrophobicContact CG-CD2 4.15Å; K84-L89 WeakPolarHBondContact O-CD2 3.21Å; G87-L89 PolarHBondContact O-N 2.99Å; L89-T99 HydrophobicContact CB-CG2 4.33Å; L89-T99 HydrophobicContact CD1-CG2 4.2Å; L89-T99 PolarHBondContact N-O 3.03Å; L89-A101 HydrophobicContact CD1-CB 3.99Å; L89-A101 HydrophobicContact CD2-CB 3.66Å; L89-A101 HydrophobicContact CG-CB 3.8Å; L89-I439 HydrophobicContact CD1-CD1 4.24Å; L89-K441 HydrophobicContact CD1-CD 4.34Å; L89-K441 HydrophobicContact CD1-CG 4.26Å
90	S	98	Very high	97.8	Very high	65 Å²	65	62 Å²	62	46%	0.455	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	148	179.2	58.3	0	0	0	0	109.9	I98 T99	S90-I98 WeakPolarHBondContact O-CA 3.48Å; S90-T99 PolarHBondContact O-N 3.47Å; S90-T99 PolarHBondContact OG-OG1 3.18Å
91	E	98.1	Very high	97.7	Very high	112 Å²	112	61.2 Å²	61.2	52%	0.523	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	122.1	174.5	175.5	160	-162.5	0	0	107.9	V88 T97 I98	V88-E91 HydrophobicContact CG1-CB 4.16Å; E91-T97 CarbonylContact C-O 3.6Å; E91-T97 WeakPolarHBondContact CA-O 3.44Å; E91-I98 HydrophobicContact CB-CG2 4.48Å; E91-I98 HydrophobicContact CG-CG1 4.07Å
92	D	97.8	Very high	97.7	Very high	62 Å²	62	62.4 Å²	62.4	33%	0.332	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	99.1	172.6	-170.7	-45	0	0	0	107.4	T94 F95 G96 T97	D92-T94 VanDerWaalsContact C-N 3.29Å; D92-T94 PolarHBondContact O-N 3.4Å; D92-T94 WeakPolarHBondContact OD1-CB 3.45Å; D92-T94 PolarHBondContact OD1-N 2.89Å; D92-T94 VanDerWaalsContact OD1-N 3.11Å; D92-F95 WeakPolarHBondContact OD1-CD2 3.42Å; D92-F95 PolarHBondContact OD1-N 3.5Å; D92-F95 WeakPolarHBondContact OD2-CD2 3.39Å; D92-G96 CarbonylContact O-C 3.47Å; D92-G96 VanDerWaalsContact O-CA 3.27Å; D92-G96 WeakPolarHBondContact O-CA 3.4Å; D92-G96 PolarHBondContact O-N 3.37Å; D92-T97 PolarHBondContact N-O 3.44Å; D92-T97 PolarHBondContact O-N 2.85Å
93	D	96.7	Very high	97.7	Very high	120 Å²	120	56.8 Å²	56.8	64%	0.642	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-25.4	-176.6	-165	41.1	0	0	0	112.3	G96 K446	D93-G96 PolarHBondContact O-N 3.16Å; D93-K446 IonicContact OD1-NZ 3.44Å; D93-K446 PolarHBondContact OD1-NZ 3.03Å; D93-K446 VanDerWaalsContact OD1-NZ 3.09Å
94	T	96.2	Very high	97.8	Very high	124 Å²	124	55.6 Å²	55.6	76%	0.761	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-46	178.8	-60.5	0	0	0	0	111.3	D92	D92-T94 VanDerWaalsContact C-N 3.29Å; D92-T94 PolarHBondContact O-N 3.4Å; D92-T94 WeakPolarHBondContact OD1-CB 3.45Å; D92-T94 PolarHBondContact OD1-N 2.89Å; D92-T94 VanDerWaalsContact OD1-N 3.11Å
95	F	95.8	Very high	97.8	Very high	146 Å²	146	50.5 Å²	50.5	64%	0.64	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-6.8	175.7	-63.2	-68.3	0	0	0	113.3	D92 T97	D92-F95 WeakPolarHBondContact OD1-CD2 3.42Å; D92-F95 PolarHBondContact OD1-N 3.5Å; D92-F95 WeakPolarHBondContact OD2-CD2 3.39Å; F95-T97 HydrophobicContact CB-CG2 4.49Å
96	G	97.3	Very high	97.8	Very high	5 Å²	5	50.5 Å²	50.5	5%	0.052	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	68	38.7	179.6	0	0	0	0	0	113.6	D92 D93 K446	D92-G96 CarbonylContact O-C 3.47Å; D92-G96 VanDerWaalsContact O-CA 3.27Å; D92-G96 WeakPolarHBondContact O-CA 3.4Å; D92-G96 PolarHBondContact O-N 3.37Å; D93-G96 PolarHBondContact O-N 3.16Å; G96-K446 WeakPolarHBondContact O-CB 3.33Å; G96-K446 WeakPolarHBondContact O-CG 3.33Å; G96-K446 PolarHBondContact O-N 3.24Å
97	T	98.4	Very high	97.9	Very high	49 Å²	49	49.5 Å²	49.5	30%	0.301	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	137.3	178.1	66.8	0	0	0	0	112.2	E91 D92 F95 V444	E91-T97 CarbonylContact C-O 3.6Å; E91-T97 WeakPolarHBondContact CA-O 3.44Å; D92-T97 PolarHBondContact N-O 3.44Å; D92-T97 PolarHBondContact O-N 2.85Å; F95-T97 HydrophobicContact CB-CG2 4.49Å; T97-V444 CarbonylContact C-O 3.52Å; T97-V444 VanDerWaalsContact CA-O 3.31Å; T97-V444 WeakPolarHBondContact CA-O 3.36Å
98	I	98.4	Very high	98	Very high	27 Å²	27	48.4 Å²	48.4	14%	0.138	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	117.3	175.9	-46.5	177.3	0	0	0	108.3	V88 S90 E91 I100 T443 V444	V88-I98 HydrophobicContact CB-CG2 4.24Å; V88-I98 HydrophobicContact CG1-CG2 3.58Å; V88-I98 HydrophobicContact CG2-CG2 3.72Å; S90-I98 WeakPolarHBondContact O-CA 3.48Å; E91-I98 HydrophobicContact CB-CG2 4.48Å; E91-I98 HydrophobicContact CG-CG1 4.07Å; I98-I100 HydrophobicContact CG2-CG1 4.07Å; I98-T443 CarbonylContact O-C 3.53Å; I98-T443 VanDerWaalsContact O-CA 3.32Å; I98-T443 WeakPolarHBondContact O-CA 3.4Å; I98-V444 HydrophobicContact CB-CB 4.06Å; I98-V444 HydrophobicContact CB-CG2 4.42Å; I98-V444 HydrophobicContact CG1-CB 4.4Å; I98-V444 PolarHBondContact N-O 3.09Å; I98-V444 PolarHBondContact O-N 2.83Å
99	T	98.5	Very high	98	Very high	26 Å²	26	46 Å²	46	16%	0.16	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	119.7	174.8	-57.1	0	0	0	0	109.3	V88 L89 S90 K441 K442	V88-T99 CarbonylContact C-O 3.57Å; V88-T99 WeakPolarHBondContact CA-O 3.48Å; L89-T99 HydrophobicContact CB-CG2 4.33Å; L89-T99 HydrophobicContact CD1-CG2 4.2Å; L89-T99 PolarHBondContact N-O 3.03Å; S90-T99 PolarHBondContact O-N 3.47Å; S90-T99 PolarHBondContact OG-OG1 3.18Å; T99-K441 HydrophobicContact CG2-CB 4.14Å; T99-K441 HydrophobicContact CG2-CD 4.36Å; T99-K441 HydrophobicContact CG2-CG 4.37Å; T99-K442 CarbonylContact C-O 3.54Å; T99-K442 WeakPolarHBondContact CA-O 3.5Å
100	I	98.4	Very high	98	Very high	38 Å²	38	44 Å²	44	20%	0.195	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.7	-179.7	-57	173.2	0	0	0	109	G87 V88 I98 K442 V444	G87-I100 CarbonylContact O-C 3.49Å; G87-I100 WeakPolarHBondContact O-CA 3.1Å; V88-I100 HydrophobicContact CG2-CG1 4.2Å; I98-I100 HydrophobicContact CG2-CG1 4.07Å; I100-K442 HydrophobicContact CB-CG 3.84Å; I100-K442 HydrophobicContact CG2-CG 4.45Å; I100-K442 PolarHBondContact N-O 2.83Å; I100-K442 PolarHBondContact O-N 2.91Å; I100-V444 HydrophobicContact CD1-CG2 3.97Å
101	A	98	Very high	98	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	125.5	172	0	0	0	0	0	111.6	T85 G87 L89 I439	T85-A101 WeakPolarHBondContact O-CB 3.41Å; G87-A101 PolarHBondContact O-N 3.03Å; L89-A101 HydrophobicContact CD1-CB 3.99Å; L89-A101 HydrophobicContact CD2-CB 3.66Å; L89-A101 HydrophobicContact CG-CB 3.8Å; A101-I439 HydrophobicContact CB-CD1 4.18Å
102	E	98.1	Very high	97.9	Very high	86 Å²	86	36.6 Å²	36.6	40%	0.402	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	146.5	166.5	-77.5	-172.7	152.8	0	0	110.9	N440 K442	E102-N440 PolarHBondContact N-O 3.28Å; E102-N440 PolarHBondContact O-N 2.88Å; E102-K442 IonicContact OE1-NZ 2.93Å; E102-K442 PolarHBondContact OE1-NZ 3.46Å; E102-K442 IonicContact OE2-NZ 2.8Å; E102-K442 PolarHBondContact OE2-NZ 3.36Å
103	P	98.3	Very high	97.8	Very high	19 Å²	19	34.4 Å²	34.4	12%	0.123	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	153.6	172.1	24.6	-33.9	0	0	0	111.1	A24 G105 T130 R131 N132 N440	A24-P103 HydrophobicContact CB-CG 3.86Å; P103-G105 VanDerWaalsContact C-N 3.35Å; P103-T130 WeakPolarHBondContact CB-O 3.37Å; P103-R131 HydrophobicContact CB-CB 4.18Å; P103-R131 WeakPolarHBondContact CB-O 3.18Å; P103-R131 VanDerWaalsContact CD-NH2 3.31Å; P103-R131 HydrophobicContact CG-CB 4.31Å; P103-N132 WeakPolarHBondContact CA-OD1 3.36Å; P103-N132 WeakPolarHBondContact CB-OD1 2.9Å; P103-N440 PolarHBondContact O-ND2 2.97Å
104	I	98.5	Very high	97.8	Very high	31 Å²	31	29.8 Å²	29.8	16%	0.159	16%	0.162	C	C	.	.			trans	-75.2	-26.2	173.2	-151.6	161.1	0	0	0	112.7	I107 N132 N188 L189	I104-I107 HydrophobicContact CG2-CD1 4.3Å; I104-I107 HydrophobicContact CG2-CG1 3.98Å; I104-N132 WeakPolarHBondContact CG2-OD1 3.46Å; I104-N132 PolarHBondContact N-OD1 2.64Å; I104-N188 WeakPolarHBondContact O-CB 3.39Å; I104-L189 HydrophobicContact CD1-CB 3.96Å; I104-L189 HydrophobicContact CD1-CD1 4.2Å; I104-L189 HydrophobicContact CD1-CD2 4.02Å; I104-L189 HydrophobicContact CD1-CG 4.27Å; I104-L189 HydrophobicContact CG2-CB 4.15Å; I104-L189 HydrophobicContact CG2-CD2 4.38Å
105	G	98.6	Very high	97.8	Very high	5 Å²	5	24.2 Å²	24.2	5%	0.052	13%	0.127	C	C	.	.			trans	119.5	-122.8	-177.9	0	0	0	0	0	111.7	Q20 P103 N132 A133 N188	Q20-G105 WeakPolarHBondContact CG-O 3.43Å; P103-G105 VanDerWaalsContact C-N 3.35Å; G105-N132 PolarHBondContact N-OD1 3.35Å; G105-N132 WeakPolarHBondContact O-CA 3.28Å; G105-N132 WeakPolarHBondContact O-CB 3.41Å; G105-N132 PolarHBondContact O-OD1 3.4Å; G105-A133 PolarHBondContact O-N 2.96Å; G105-N188 WeakPolarHBondContact CA-OD1 3.37Å
106	I	98.8	Very high	97.9	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.01	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.5	-178.8	-45.4	173.8	0	0	0	110.5	V13 V16 K17 Q20 A133 I135 I187 N188 L189	V13-I106 HydrophobicContact CG1-CD1 4.17Å; V16-I106 HydrophobicContact CG1-CD1 4.32Å; V16-I106 HydrophobicContact CG1-CG1 4.46Å; V16-I106 HydrophobicContact CG1-CG2 3.84Å; K17-I106 VanDerWaalsContact CA-CD1 3.45Å; K17-I106 HydrophobicContact CB-CD1 3.58Å; K17-I106 HydrophobicContact CG-CD1 4.2Å; Q20-I106 HydrophobicContact CB-CG1 4.38Å; Q20-I106 HydrophobicContact CG-CG1 4.47Å; I106-A133 HydrophobicContact CG1-CB 4.34Å; I106-A133 HydrophobicContact CG2-CB 4.28Å; I106-I135 HydrophobicContact CG2-CD1 4.09Å; I106-I135 HydrophobicContact CG2-CG1 4.25Å; I106-I187 HydrophobicContact CB-CD1 4.04Å; I106-I187 HydrophobicContact CG2-CD1 3.59Å; I106-N188 PolarHBondContact N-OD1 3.35Å; I106-N188 PolarHBondContact O-N 3.42Å; I106-L189 PolarHBondContact O-N 2.98Å
107	I	98.9	Very high	98	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	135.4	-178.5	-60.3	166.2	0	0	0	110.1	I104 N132 A133 I134 I135 L189 L191 L438	I104-I107 HydrophobicContact CG2-CD1 4.3Å; I104-I107 HydrophobicContact CG2-CG1 3.98Å; I107-N132 HydrophobicContact CD1-CB 3.8Å; I107-N132 HydrophobicContact CG1-CB 4.42Å; I107-A133 PolarHBondContact N-O 3.1Å; I107-I134 HydrophobicContact CB-CB 4.26Å; I107-I134 HydrophobicContact CB-CD1 4.36Å; I107-I134 HydrophobicContact CB-CG1 4.09Å; I107-I134 HydrophobicContact CG2-CD1 4.01Å; I107-I134 HydrophobicContact CG2-CG1 4.16Å; I107-I134 CarbonylContact O-C 3.52Å; I107-I134 VanDerWaalsContact O-CA 3.31Å; I107-I134 WeakPolarHBondContact O-CA 3.19Å; I107-I135 PolarHBondContact O-N 3.49Å; I107-L189 CarbonylContact C-O 3.56Å; I107-L189 VanDerWaalsContact CA-O 3.31Å; I107-L189 WeakPolarHBondContact CA-O 3.4Å; I107-L189 HydrophobicContact CG1-CB 4.36Å; I107-L189 HydrophobicContact CG1-CD2 4.36Å; I107-L191 HydrophobicContact CG2-CB 3.69Å; I107-L438 HydrophobicContact CD1-CB 4.3Å; I107-L438 HydrophobicContact CD1-CD1 3.91Å; I107-L438 HydrophobicContact CD1-CD2 4.08Å; I107-L438 HydrophobicContact CD1-CG 4.33Å
108	C	98.7	Very high	98	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	111.7	164.3	173.8	0	0	0	0	109.4	I110 L181 I187 L189 I190 L191	C108-I110 VanDerWaalsContact SG-CD1 3.59Å; C108-L181 HydrophobicContact CB-CD2 4.3Å; C108-L181 HydrophobicContact CB-CG 4.16Å; C108-L181 VanDerWaalsContact SG-CD2 3.52Å; C108-I187 HydrophobicContact CB-CG2 3.99Å; C108-L189 PolarHBondContact N-O 3.21Å; C108-I190 HydrophobicContact CB-CB 4.45Å; C108-I190 HydrophobicContact CB-CG1 4.06Å; C108-I190 HydrophobicContact CB-CG2 4.36Å; C108-L191 PolarHBondContact O-N 3.23Å
109	G	98.4	Very high	98	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	102.1	178.1	0	0	0	0	0	112	I135 F136 S137	G109-I135 PolarHBondContact N-O 3.07Å; G109-F136 VanDerWaalsContact O-CA 3.32Å; G109-F136 WeakPolarHBondContact O-CA 3.32Å; G109-S137 PolarHBondContact O-N 3.03Å
110	I	98.1	Very high	98	Very high	8 Å²	8	12.3 Å²	12.3	4%	0.041	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	131.1	170.8	-46.9	-59.7	0	0	0	109.6	C108 K123 M182 I190 L191 A192 T193 M198	C108-I110 VanDerWaalsContact SG-CD1 3.59Å; I110-K123 PolarHBondContact O-NZ 3.32Å; I110-M182 HydrophobicContact CD1-CG 4.37Å; I110-M182 HydrophobicContact CD1-SD 4.3Å; I110-I190 HydrophobicContact CG1-CG2 4.31Å; I110-L191 PolarHBondContact N-O 3.37Å; I110-A192 HydrophobicContact CB-CB 4.31Å; I110-A192 HydrophobicContact CG1-CB 4.02Å; I110-T193 PolarHBondContact O-N 3.35Å; I110-M198 HydrophobicContact CB-CG 4.38Å; I110-M198 HydrophobicContact CB-SD 4.4Å; I110-M198 HydrophobicContact CD1-SD 4.27Å; I110-M198 HydrophobicContact CG1-CG 4.41Å; I110-M198 HydrophobicContact CG1-SD 3.94Å; I110-M198 HydrophobicContact CG2-CE 3.95Å; I110-M198 HydrophobicContact CG2-CG 3.74Å; I110-M198 HydrophobicContact CG2-SD 3.8Å
111	V	97.8	Very high	98	Very high	4 Å²	4	10.5 Å²	10.5	2%	0.024	6%	0.058	C	C	.	.			trans	-122.7	129.7	-173.5	-176.3	0	0	0	0	111	P116 T119 F136 S137 H139 T146	V111-P116 WeakPolarHBondContact CG1-O 3.27Å; V111-T119 HydrophobicContact CG1-CG2 4.44Å; V111-F136 HydrophobicContact CG2-CD1 3.49Å; V111-F136 VanDerWaalsContact CG2-CD1 3.49Å; V111-F136 HydrophobicContact CG2-CE1 4.08Å; V111-F136 HydrophobicContact CG2-CG 4.36Å; V111-S137 PolarHBondContact N-O 3.2Å; V111-H139 PolarHBondContact O-N 3.29Å; V111-T146 HydrophobicContact CB-CG2 4.14Å; V111-T146 HydrophobicContact CG1-CG2 3.96Å; V111-T146 WeakPolarHBondContact CG1-OG1 3.46Å; V111-T146 HydrophobicContact CG2-CG2 4.07Å
112	P	96	Very high	98	Very high	16 Å²	16	10.5 Å²	10.5	10%	0.104	6%	0.058	C	C	.	.			trans	-83.4	162.2	179.6	36.4	-36.8	0	0	0	111.8	T114 N115 P116 T193	P112-T114 PolarHBondContact O-N 3.06Å; P112-N115 HydrophobicContact CG-CB 4.37Å; P112-P116 WeakPolarHBondContact O-CA 3.48Å; P112-T193 WeakPolarHBondContact CD-O 3.3Å; P112-T193 HydrophobicContact CG-CG2 3.99Å
113	T	96.3	Very high	98.1	Very high	17 Å²	17	6.4 Å²	6.4	10%	0.104	4%	0.039	C	C	.	.	S	Bend	trans	-71.9	-14.9	172.7	-167.3	0	0	0	0	114.1	M59 P116	M59-T113 HydrophobicContact CE-CG2 3.73Å; M59-T113 HydrophobicContact SD-CG2 4Å; T113-P116 WeakPolarHBondContact O-CD 3.47Å
114	T	95.7	Very high	98.1	Very high	22 Å²	22	5.5 Å²	5.5	14%	0.135	3%	0.033	C	C	.	.	S	Bend	trans	-77.5	-42.3	-175.7	56.5	0	0	0	0	112.1	K68 P112 P116 V244 L337	K68-T114 PolarHBondContact NZ-O 3.3Å; K68-T114 VanDerWaalsContact NZ-O 3.1Å; P112-T114 PolarHBondContact O-N 3.06Å; T114-P116 WeakPolarHBondContact O-CD 3.29Å; T114-V244 HydrophobicContact CG2-CG2 3.57Å; T114-L337 HydrophobicContact CG2-CD1 4.42Å
115	N	96.8	Very high	98.1	Very high	7 Å²	7	4 Å²	4	4%	0.037	3%	0.025	C	C	.	.	S	Bend	trans	-125.1	47.3	-176.5	-59.3	-20.8	0	0	0	111.7	K68 P112 T117 S118 T119	K68-N115 WeakPolarHBondContact CE-OD1 3.07Å; K68-N115 PolarHBondContact NZ-OD1 3.29Å; P112-N115 HydrophobicContact CG-CB 4.37Å; N115-T117 PolarHBondContact O-N 2.87Å; N115-S118 PolarHBondContact O-OG 2.97Å; N115-T119 WeakPolarHBondContact CB-OG1 3.43Å; N115-T119 WeakPolarHBondContact O-CB 3.29Å; N115-T119 PolarHBondContact O-N 2.83Å; N115-T119 PolarHBondContact O-OG1 3.12Å; N115-T119 VanDerWaalsContact O-OG1 3.08Å
116	P	97.9	Very high	98.1	Very high	1 Å²	1	3.8 Å²	3.8	1%	0.006	2%	0.023	C	C	.	.	H	α-helix	trans	-64.4	-44.8	-161.3	25.4	-34.1	0	0	0	113.3	A53 V111 P112 T113 T114 A120 A142 T146	A53-P116 HydrophobicContact CB-CG 3.92Å; V111-P116 WeakPolarHBondContact CG1-O 3.27Å; P112-P116 WeakPolarHBondContact O-CA 3.48Å; T113-P116 WeakPolarHBondContact O-CD 3.47Å; T114-P116 WeakPolarHBondContact O-CD 3.29Å; P116-A120 WeakPolarHBondContact O-CB 3.35Å; P116-A120 PolarHBondContact O-N 3.32Å; P116-A142 HydrophobicContact CB-CB 3.46Å; P116-A142 VanDerWaalsContact CB-CB 3.46Å; P116-A142 HydrophobicContact CG-CB 3.86Å; P116-T146 VanDerWaalsContact C-OG1 3.28Å; P116-T146 WeakPolarHBondContact CA-OG1 3.2Å; P116-T146 WeakPolarHBondContact CB-OG1 3.32Å; P116-T146 PolarHBondContact O-OG1 3.32Å
117	T	98.7	Very high	98.1	Very high	2 Å²	2	3.8 Å²	3.8	1%	0.012	2%	0.023	C	C	.	.	H	α-helix	trans	-82.1	-45	-178	51	0	0	0	0	111.4	L49 A53 N69 N115 T119 A120 I121 A145 A149	L49-T117 HydrophobicContact CB-CG2 3.98Å; L49-T117 HydrophobicContact CD2-CG2 4.3Å; A53-T117 HydrophobicContact CB-CG2 4.16Å; N69-T117 PolarHBondContact ND2-OG1 3.27Å; N69-T117 VanDerWaalsContact OD1-CB 3.28Å; N69-T117 WeakPolarHBondContact OD1-CB 3.49Å; N69-T117 PolarHBondContact OD1-OG1 3.02Å; N115-T117 PolarHBondContact O-N 2.87Å; T117-T119 PolarHBondContact O-N 2.9Å; T117-A120 PolarHBondContact O-N 3.1Å; T117-I121 VanDerWaalsContact O-CG1 3.28Å; T117-I121 WeakPolarHBondContact O-CG1 3.46Å; T117-I121 PolarHBondContact O-N 3.46Å; T117-A145 HydrophobicContact CG2-CB 3.97Å; T117-A145 WeakPolarHBondContact CG2-O 3.45Å; T117-A149 HydrophobicContact CG2-CB 4.18Å
118	S	98.3	Very high	98.1	Very high	1 Å²	1	3.9 Å²	3.9	1%	0.007	2%	0.023	C	C	.	.	H	α-helix	trans	-67.2	-39.2	-176.8	60.8	0	0	0	0	112.1	K68 N69 A72 N115 F122 L417	K68-S118 WeakPolarHBondContact O-CB 3.4Å; N69-S118 PolarHBondContact OD1-N 3.38Å; A72-S118 VanDerWaalsContact CB-O 3.29Å; A72-S118 WeakPolarHBondContact CB-O 3.44Å; N115-S118 PolarHBondContact O-OG 2.97Å; S118-F122 VanDerWaalsContact O-CB 3.26Å; S118-F122 WeakPolarHBondContact O-CB 2.99Å; S118-F122 PolarHBondContact O-N 3.03Å; S118-L417 WeakPolarHBondContact O-CD1 3.49Å
119	T	98.5	Very high	98.1	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-67.8	-37.1	173.8	-62.8	0	0	0	0	111.5	V111 N115 T117 K123	V111-T119 HydrophobicContact CG1-CG2 4.44Å; N115-T119 WeakPolarHBondContact CB-OG1 3.43Å; N115-T119 WeakPolarHBondContact O-CB 3.29Å; N115-T119 PolarHBondContact O-N 2.83Å; N115-T119 PolarHBondContact O-OG1 3.12Å; N115-T119 VanDerWaalsContact O-OG1 3.08Å; T117-T119 PolarHBondContact O-N 2.9Å; T119-K123 HydrophobicContact CG2-CD 3.9Å; T119-K123 VanDerWaalsContact CG2-CE 3.49Å; T119-K123 HydrophobicContact CG2-CG 4.23Å; T119-K123 WeakPolarHBondContact O-CB 3.17Å; T119-K123 VanDerWaalsContact O-CG 3.26Å; T119-K123 WeakPolarHBondContact O-CG 3.46Å; T119-K123 PolarHBondContact O-N 2.88Å
120	A	98.7	Very high	98.1	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-65.8	-45.2	175.5	0	0	0	0	0	112.1	P116 T117 S124 F136 T146 A149	P116-A120 WeakPolarHBondContact O-CB 3.35Å; P116-A120 PolarHBondContact O-N 3.32Å; T117-A120 PolarHBondContact O-N 3.1Å; A120-S124 VanDerWaalsContact O-CB 3.22Å; A120-S124 WeakPolarHBondContact O-CB 2.89Å; A120-S124 PolarHBondContact O-N 2.85Å; A120-S124 PolarHBondContact O-OG 3.36Å; A120-F136 HydrophobicContact CB-CZ 4.48Å; A120-F136 WeakPolarHBondContact O-CZ 3.45Å; A120-T146 HydrophobicContact CB-CG2 4Å; A120-A149 HydrophobicContact CB-CB 4.18Å
121	I	98.8	Very high	98.2	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-58.4	-55.3	174.6	-68.7	162.3	0	0	0	109.9	A42 L49 N69 A72 T117 K123 S124 L125 A149 V153	A42-I121 HydrophobicContact CB-CB 4.45Å; A42-I121 HydrophobicContact CB-CD1 4.06Å; A42-I121 HydrophobicContact CB-CG1 3.98Å; A42-I121 HydrophobicContact CB-CG2 3.61Å; L49-I121 HydrophobicContact CD1-CD1 4.05Å; N69-I121 HydrophobicContact CB-CD1 4.16Å; A72-I121 HydrophobicContact CB-CB 4.05Å; A72-I121 HydrophobicContact CB-CG2 3.86Å; A72-I121 WeakPolarHBondContact O-CG2 3.3Å; T117-I121 VanDerWaalsContact O-CG1 3.28Å; T117-I121 WeakPolarHBondContact O-CG1 3.46Å; T117-I121 PolarHBondContact O-N 3.46Å; I121-K123 PolarHBondContact O-N 3.19Å; I121-S124 PolarHBondContact O-N 2.75Å; I121-L125 HydrophobicContact CG2-CD1 3.72Å; I121-L125 HydrophobicContact CG2-CG 4.31Å; I121-L125 WeakPolarHBondContact O-CB 3.3Å; I121-L125 VanDerWaalsContact O-CG 3.31Å; I121-L125 WeakPolarHBondContact O-CG 3.34Å; I121-L125 PolarHBondContact O-N 2.74Å; I121-A149 HydrophobicContact CG1-CB 4.3Å; I121-V153 HydrophobicContact CG1-CG2 4.48Å
122	F	98.7	Very high	98.2	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-53.3	-54.3	-179.7	161	-108.4	0	0	0	111.7	A72 I76 S118 S124 L125 I126 S416 L417 T418 V433	A72-F122 HydrophobicContact CB-CB 4.28Å; I76-F122 HydrophobicContact CD1-CD2 3.54Å; I76-F122 HydrophobicContact CD1-CE2 3.93Å; I76-F122 HydrophobicContact CG1-CD2 3.91Å; I76-F122 HydrophobicContact CG2-CD2 4.29Å; S118-F122 VanDerWaalsContact O-CB 3.26Å; S118-F122 WeakPolarHBondContact O-CB 2.99Å; S118-F122 PolarHBondContact O-N 3.03Å; F122-S124 PolarHBondContact O-N 2.91Å; F122-L125 PolarHBondContact O-N 3.18Å; F122-I126 HydrophobicContact CD2-CG2 4.11Å; F122-I126 HydrophobicContact CE1-CD1 3.85Å; F122-I126 HydrophobicContact CE2-CD1 3.87Å; F122-I126 HydrophobicContact CE2-CG2 3.85Å; F122-I126 HydrophobicContact CZ-CD1 3.49Å; F122-I126 VanDerWaalsContact CZ-CD1 3.49Å; F122-I126 WeakPolarHBondContact O-CG1 3.49Å; F122-I126 PolarHBondContact O-N 2.98Å; F122-S416 WeakPolarHBondContact CZ-OG 3.4Å; F122-L417 HydrophobicContact CB-CB 4.44Å; F122-L417 HydrophobicContact CB-CD1 4.23Å; F122-L417 HydrophobicContact CD1-CB 4.14Å; F122-L417 HydrophobicContact CG-CB 4.29Å; F122-T418 WeakPolarHBondContact CE1-OG1 3.08Å; F122-V433 VanDerWaalsContact CZ-O 3.28Å; F122-V433 WeakPolarHBondContact CZ-O 3.16Å
123	K	98.8	Very high	98.3	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-65.9	-37.9	-177.4	-69.9	-174	-179.8	-177.9	0	112.4	I110 T119 I121 S127 I134 F136 L191 T193 T418	I110-K123 PolarHBondContact O-NZ 3.32Å; T119-K123 HydrophobicContact CG2-CD 3.9Å; T119-K123 VanDerWaalsContact CG2-CE 3.49Å; T119-K123 HydrophobicContact CG2-CG 4.23Å; T119-K123 WeakPolarHBondContact O-CB 3.17Å; T119-K123 VanDerWaalsContact O-CG 3.26Å; T119-K123 WeakPolarHBondContact O-CG 3.46Å; T119-K123 PolarHBondContact O-N 2.88Å; I121-K123 PolarHBondContact O-N 3.19Å; K123-S127 VanDerWaalsContact O-CB 3.22Å; K123-S127 WeakPolarHBondContact O-CB 3.39Å; K123-S127 PolarHBondContact O-N 3.37Å; K123-S127 VanDerWaalsContact O-N 3.11Å; K123-S127 PolarHBondContact O-OG 3.08Å; K123-I134 HydrophobicContact CB-CD1 3.75Å; K123-F136 HydrophobicContact CB-CE1 3.81Å; K123-F136 HydrophobicContact CB-CZ 4.02Å; K123-F136 HydrophobicContact CD-CE1 4.26Å; K123-L191 HydrophobicContact CB-CD2 4.27Å; K123-L191 HydrophobicContact CD-CD2 3.71Å; K123-L191 HydrophobicContact CD-CG 3.97Å; K123-L191 HydrophobicContact CG-CD2 3.63Å; K123-L191 HydrophobicContact CG-CG 4.38Å; K123-L191 PolarHBondContact NZ-O 3.33Å; K123-T193 VanDerWaalsContact CE-OG1 3.24Å; K123-T193 WeakPolarHBondContact CE-OG1 3.49Å; K123-T193 PolarHBondContact NZ-OG1 2.86Å; K123-T418 WeakPolarHBondContact CE-OG1 3.13Å
124	S	98.8	Very high	98.5	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-61.8	-51.3	175.4	-59.8	0	0	0	0	110.4	A120 I121 F122 I126 S127 L128 F136	A120-S124 VanDerWaalsContact O-CB 3.22Å; A120-S124 WeakPolarHBondContact O-CB 2.89Å; A120-S124 PolarHBondContact O-N 2.85Å; A120-S124 PolarHBondContact O-OG 3.36Å; I121-S124 PolarHBondContact O-N 2.75Å; F122-S124 PolarHBondContact O-N 2.91Å; S124-I126 PolarHBondContact O-N 2.86Å; S124-S127 PolarHBondContact O-N 2.89Å; S124-L128 VanDerWaalsContact O-CG 3.3Å; S124-L128 WeakPolarHBondContact O-CG 3.09Å; S124-L128 PolarHBondContact O-N 2.88Å; S124-F136 WeakPolarHBondContact OG-CE2 3.34Å; S124-F136 WeakPolarHBondContact OG-CZ 3.35Å
125	L	98.8	Very high	98.6	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.008	C	C	.	.	H	α-helix	trans	-60.5	-49.2	-177	-75.4	-178.8	0	0	0	112.7	F35 A38 A39 A72 I76 I121 F122 S127 L128 K129	F35-L125 HydrophobicContact CD2-CB 4.32Å; F35-L125 HydrophobicContact CD2-CD2 4.16Å; F35-L125 WeakPolarHBondContact CD2-O 2.98Å; F35-L125 HydrophobicContact CE2-CB 3.79Å; F35-L125 HydrophobicContact CE2-CD2 4.31Å; F35-L125 WeakPolarHBondContact CE2-O 2.88Å; A38-L125 HydrophobicContact CB-CD2 3.45Å; A38-L125 VanDerWaalsContact CB-CD2 3.45Å; A39-L125 HydrophobicContact CB-CD1 4.16Å; A39-L125 HydrophobicContact CB-CD2 4.14Å; A72-L125 WeakPolarHBondContact O-CD1 3.46Å; I76-L125 HydrophobicContact CG2-CB 4.35Å; I121-L125 HydrophobicContact CG2-CD1 3.72Å; I121-L125 HydrophobicContact CG2-CG 4.31Å; I121-L125 WeakPolarHBondContact O-CB 3.3Å; I121-L125 VanDerWaalsContact O-CG 3.31Å; I121-L125 WeakPolarHBondContact O-CG 3.34Å; I121-L125 PolarHBondContact O-N 2.74Å; F122-L125 PolarHBondContact O-N 3.18Å; L125-S127 VanDerWaalsContact C-N 3.29Å; L125-S127 PolarHBondContact O-N 3.44Å; L125-L128 PolarHBondContact O-N 2.89Å; L125-K129 PolarHBondContact O-N 3.29Å
126	I	98.7	Very high	98.7	Very high	0 Å²	0	1.5 Å²	1.5	0%	0	1%	0.007	C	C	.	.	H	α-helix	trans	-68.7	-28.3	178.8	67	175	0	0	0	112.7	I76 Y80 F122 S124 T130 L191 P435 L438	I76-I126 HydrophobicContact CG2-CG2 3.83Å; Y80-I126 HydrophobicContact CD2-CG2 4.08Å; Y80-I126 HydrophobicContact CE2-CG2 4.16Å; F122-I126 HydrophobicContact CD2-CG2 4.11Å; F122-I126 HydrophobicContact CE1-CD1 3.85Å; F122-I126 HydrophobicContact CE2-CD1 3.87Å; F122-I126 HydrophobicContact CE2-CG2 3.85Å; F122-I126 HydrophobicContact CZ-CD1 3.49Å; F122-I126 VanDerWaalsContact CZ-CD1 3.49Å; F122-I126 WeakPolarHBondContact O-CG1 3.49Å; F122-I126 PolarHBondContact O-N 2.98Å; S124-I126 PolarHBondContact O-N 2.86Å; I126-T130 WeakPolarHBondContact O-CG2 3.22Å; I126-T130 PolarHBondContact O-N 2.9Å; I126-T130 PolarHBondContact O-OG1 2.99Å; I126-L191 HydrophobicContact CD1-CD2 4.36Å; I126-P435 HydrophobicContact CB-CG 4.24Å; I126-P435 HydrophobicContact CG2-CG 4.18Å; I126-L438 HydrophobicContact CB-CD1 4.28Å; I126-L438 HydrophobicContact CD1-CD1 3.66Å; I126-L438 HydrophobicContact CG1-CD1 3.61Å
127	S	98.9	Very high	98.7	Very high	1 Å²	1	1.6 Å²	1.6	1%	0.007	1%	0.007	C	C	.	.	H	α-helix	trans	-71.5	-41.2	175	-58.7	0	0	0	0	110.9	K123 S124 L125 T130 R131 N132	K123-S127 VanDerWaalsContact O-CB 3.22Å; K123-S127 WeakPolarHBondContact O-CB 3.39Å; K123-S127 PolarHBondContact O-N 3.37Å; K123-S127 VanDerWaalsContact O-N 3.11Å; K123-S127 PolarHBondContact O-OG 3.08Å; S124-S127 PolarHBondContact O-N 2.89Å; L125-S127 VanDerWaalsContact C-N 3.29Å; L125-S127 PolarHBondContact O-N 3.44Å; S127-T130 PolarHBondContact O-N 3.39Å; S127-T130 PolarHBondContact O-OG1 2.88Å; S127-R131 PolarHBondContact O-N 2.96Å; S127-N132 WeakPolarHBondContact O-CB 3.38Å; S127-N132 PolarHBondContact O-N 2.91Å
128	L	98.8	Very high	98.7	Very high	2 Å²	2	1.7 Å²	1.7	1%	0.01	1%	0.008	C	C	.	.	H	α-helix	trans	-61.5	-49.2	173.9	-69	175.1	0	0	0	111.3	Y23 V31 I34 A38 S124 L125 T130 R131 V153 A157 L166 I167	Y23-L128 HydrophobicContact CE1-CD2 4.18Å; Y23-L128 WeakPolarHBondContact CE1-O 3.37Å; Y23-L128 PolarHBondContact OH-O 2.83Å; Y23-L128 VanDerWaalsContact OH-O 3.08Å; V31-L128 WeakPolarHBondContact CG1-O 3.26Å; I34-L128 HydrophobicContact CG2-CD1 4.23Å; I34-L128 HydrophobicContact CG2-CD2 4.38Å; A38-L128 HydrophobicContact CB-CD1 3.87Å; S124-L128 VanDerWaalsContact O-CG 3.3Å; S124-L128 WeakPolarHBondContact O-CG 3.09Å; S124-L128 PolarHBondContact O-N 2.88Å; L125-L128 PolarHBondContact O-N 2.89Å; L128-T130 PolarHBondContact O-N 2.94Å; L128-R131 PolarHBondContact O-N 3.12Å; L128-V153 HydrophobicContact CD1-CG1 3.92Å; L128-A157 HydrophobicContact CD1-CB 4.11Å; L128-L166 HydrophobicContact CD2-CD2 3.35Å; L128-L166 HydrophobicContact CD2-CG 4.28Å; L128-I167 HydrophobicContact CD1-CD1 4.3Å; L128-I167 HydrophobicContact CD2-CD1 4.36Å; L128-I167 HydrophobicContact CG-CD1 4.42Å
129	K	98.7	Very high	98.6	Very high	1 Å²	1	5.3 Å²	5.3	0%	0.004	2%	0.024	C	C	.	.	H	α-helix	trans	-55.1	-29.9	179.4	-178	62.9	-170	-176.1	0	112.7	Q28 D32 F35 Y80 K81 E83 T85 L125	Q28-K129 VanDerWaalsContact NE2-NZ 3.13Å; D32-K129 IonicContact OD1-NZ 3.48Å; D32-K129 PolarHBondContact OD1-NZ 2.96Å; D32-K129 IonicContact OD2-NZ 3.9Å; F35-K129 HydrophobicContact CD1-CD 3.98Å; F35-K129 HydrophobicContact CD2-CB 3.93Å; F35-K129 HydrophobicContact CE1-CD 4.27Å; F35-K129 HydrophobicContact CE2-CB 3.95Å; F35-K129 HydrophobicContact CG-CB 4.31Å; F35-K129 HydrophobicContact CG-CD 4.2Å; F35-K129 HydrophobicContact CZ-CB 4.4Å; Y80-K129 WeakPolarHBondContact O-CE 3.36Å; K81-K129 PolarHBondContact O-NZ 3.41Å; E83-K129 WeakPolarHBondContact O-CE 3.43Å; E83-K129 PolarHBondContact O-NZ 3.39Å; T85-K129 HydrophobicContact CG2-CG 4.46Å; T85-K129 WeakPolarHBondContact OG1-CE 3.46Å; T85-K129 PolarHBondContact OG1-O 2.78Å; L125-K129 PolarHBondContact O-N 3.29Å
130	T	98.8	Very high	98.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	7.7	-177.5	50	0	0	0	0	114.1	T85 P103 I126 S127 L128 N132 P435 L438 I439	T85-T130 HydrophobicContact CG2-CG2 4.14Å; P103-T130 WeakPolarHBondContact CB-O 3.37Å; I126-T130 WeakPolarHBondContact O-CG2 3.22Å; I126-T130 PolarHBondContact O-N 2.9Å; I126-T130 PolarHBondContact O-OG1 2.99Å; S127-T130 PolarHBondContact O-N 3.39Å; S127-T130 PolarHBondContact O-OG1 2.88Å; L128-T130 PolarHBondContact O-N 2.94Å; T130-N132 VanDerWaalsContact CB-ND2 3.33Å; T130-N132 WeakPolarHBondContact CB-ND2 3.28Å; T130-N132 PolarHBondContact O-N 3.24Å; T130-N132 PolarHBondContact OG1-ND2 3.26Å; T130-P435 HydrophobicContact CG2-CB 3.56Å; T130-P435 WeakPolarHBondContact CG2-O 3.31Å; T130-L438 HydrophobicContact CG2-CB 4.21Å; T130-I439 HydrophobicContact CG2-CG2 3.71Å
131	R	98.8	Very high	98.4	Very high	22 Å²	22	12.8 Å²	12.8	8%	0.083	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	25.2	-176.4	-52.4	-177.3	-53.6	-177.6	7.5	114.8	Q20 Y23 A24 F26 V31 C86 P103 S127 L128	Q20-R131 PolarHBondContact NE2-O 3.06Å; Y23-R131 HydrophobicContact CD1-CB 4.15Å; Y23-R131 VanDerWaalsContact CE1-CA 3.49Å; Y23-R131 HydrophobicContact CE1-CB 4.28Å; A24-R131 PolarHBondContact O-NH1 3.36Å; F26-R131 WeakPolarHBondContact O-CD 3.5Å; F26-R131 PolarHBondContact O-NH1 3.25Å; F26-R131 VanDerWaalsContact O-NH1 3.14Å; V31-R131 HydrophobicContact CG2-CG 3.59Å; C86-R131 PolarHBondContact SG-NH1 3.1Å; P103-R131 HydrophobicContact CB-CB 4.18Å; P103-R131 WeakPolarHBondContact CB-O 3.18Å; P103-R131 VanDerWaalsContact CD-NH2 3.31Å; P103-R131 HydrophobicContact CG-CB 4.31Å; S127-R131 PolarHBondContact O-N 2.96Å; L128-R131 PolarHBondContact O-N 3.12Å
132	N	98.9	Very high	98.4	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	6%	0.061	C	C	.	.			trans	-91.5	159.8	174.8	-66.8	-53.9	0	0	0	111.2	P103 I104 G105 I107 S127 T130 L438	P103-N132 WeakPolarHBondContact CA-OD1 3.36Å; P103-N132 WeakPolarHBondContact CB-OD1 2.9Å; I104-N132 WeakPolarHBondContact CG2-OD1 3.46Å; I104-N132 PolarHBondContact N-OD1 2.64Å; G105-N132 PolarHBondContact N-OD1 3.35Å; G105-N132 WeakPolarHBondContact O-CA 3.28Å; G105-N132 WeakPolarHBondContact O-CB 3.41Å; G105-N132 PolarHBondContact O-OD1 3.4Å; I107-N132 HydrophobicContact CD1-CB 3.8Å; I107-N132 HydrophobicContact CG1-CB 4.42Å; S127-N132 WeakPolarHBondContact O-CB 3.38Å; S127-N132 PolarHBondContact O-N 2.91Å; T130-N132 VanDerWaalsContact CB-ND2 3.33Å; T130-N132 WeakPolarHBondContact CB-ND2 3.28Å; T130-N132 PolarHBondContact O-N 3.24Å; T130-N132 PolarHBondContact OG1-ND2 3.26Å; N132-L438 PolarHBondContact ND2-O 3.37Å
133	A	98.9	Very high	98.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	159.6	162.7	0	0	0	0	0	110.3	V16 Q20 G105 I106 I107 L166	V16-A133 HydrophobicContact CG1-CB 3.45Å; V16-A133 VanDerWaalsContact CG1-CB 3.45Å; Q20-A133 HydrophobicContact CB-CB 3.66Å; Q20-A133 HydrophobicContact CG-CB 3.77Å; G105-A133 PolarHBondContact O-N 2.96Å; I106-A133 HydrophobicContact CG1-CB 4.34Å; I106-A133 HydrophobicContact CG2-CB 4.28Å; I107-A133 PolarHBondContact N-O 3.1Å; A133-L166 WeakPolarHBondContact CA-O 3.47Å; A133-L166 HydrophobicContact CB-CD1 3.93Å; A133-L166 HydrophobicContact CB-CG 4.48Å; A133-L166 VanDerWaalsContact CB-O 3.25Å; A133-L166 WeakPolarHBondContact CB-O 3.21Å
134	I	98.9	Very high	98.3	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	138.5	177.4	-173.7	163.7	0	0	0	111.6	I107 K123 F136 L166 I167 G168	I107-I134 HydrophobicContact CB-CB 4.26Å; I107-I134 HydrophobicContact CB-CD1 4.36Å; I107-I134 HydrophobicContact CB-CG1 4.09Å; I107-I134 HydrophobicContact CG2-CD1 4.01Å; I107-I134 HydrophobicContact CG2-CG1 4.16Å; I107-I134 CarbonylContact O-C 3.52Å; I107-I134 VanDerWaalsContact O-CA 3.31Å; I107-I134 WeakPolarHBondContact O-CA 3.19Å; K123-I134 HydrophobicContact CB-CD1 3.75Å; I134-F136 HydrophobicContact CD1-CD1 4.36Å; I134-F136 HydrophobicContact CD1-CE1 3.59Å; I134-F136 HydrophobicContact CD1-CE2 4.43Å; I134-F136 HydrophobicContact CD1-CZ 3.63Å; I134-F136 HydrophobicContact CG1-CD1 4.5Å; I134-F136 HydrophobicContact CG1-CE1 4.09Å; I134-F136 HydrophobicContact CG1-CE2 4.34Å; I134-F136 HydrophobicContact CG1-CZ 4Å; I134-F136 HydrophobicContact CG2-CE2 3.9Å; I134-F136 HydrophobicContact CG2-CZ 4.01Å; I134-L166 PolarHBondContact N-O 3.21Å; I134-I167 HydrophobicContact CG2-CG1 4.03Å; I134-I167 HydrophobicContact CG2-CG2 4.21Å; I134-I167 CarbonylContact O-C 3.29Å; I134-I167 WeakPolarHBondContact O-CA 3.13Å; I134-G168 PolarHBondContact O-N 3.04Å
135	I	98.8	Very high	98.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121.2	173.4	-61.9	171.1	0	0	0	108.8	L12 V13 V16 I106 I107 G109 G168 L181 I187	L12-I135 HydrophobicContact CD2-CD1 4.32Å; L12-I135 HydrophobicContact CD2-CG1 4.34Å; L12-I135 HydrophobicContact CD2-CG2 3.64Å; L12-I135 HydrophobicContact CG-CD1 4.12Å; L12-I135 HydrophobicContact CG-CG1 4.44Å; V13-I135 HydrophobicContact CB-CD1 4.24Å; V13-I135 HydrophobicContact CG2-CD1 3.66Å; V16-I135 HydrophobicContact CB-CD1 4.08Å; V16-I135 HydrophobicContact CB-CG1 4.34Å; V16-I135 HydrophobicContact CG1-CD1 4.11Å; V16-I135 HydrophobicContact CG1-CG1 4.02Å; V16-I135 HydrophobicContact CG2-CD1 3.93Å; V16-I135 HydrophobicContact CG2-CG1 3.93Å; I106-I135 HydrophobicContact CG2-CD1 4.09Å; I106-I135 HydrophobicContact CG2-CG1 4.25Å; I107-I135 PolarHBondContact O-N 3.49Å; G109-I135 PolarHBondContact N-O 3.07Å; I135-G168 CarbonylContact C-O 3.53Å; I135-G168 WeakPolarHBondContact CA-O 3.36Å; I135-L181 HydrophobicContact CB-CD1 4.31Å; I135-L181 HydrophobicContact CB-CD2 4.3Å; I135-L181 HydrophobicContact CD1-CD1 4.32Å; I135-L181 HydrophobicContact CG2-CD1 4.06Å; I135-L181 HydrophobicContact CG2-CD2 3.71Å; I135-I187 HydrophobicContact CD1-CD1 4.41Å
136	F	98.7	Very high	98.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	136.4	-178.9	-67.7	-71.4	0	0	0	113.1	G109 V111 A120 K123 S124 I134 P138 A150 I167 G168 W169 I170	G109-F136 VanDerWaalsContact O-CA 3.32Å; G109-F136 WeakPolarHBondContact O-CA 3.32Å; V111-F136 HydrophobicContact CG2-CD1 3.49Å; V111-F136 VanDerWaalsContact CG2-CD1 3.49Å; V111-F136 HydrophobicContact CG2-CE1 4.08Å; V111-F136 HydrophobicContact CG2-CG 4.36Å; A120-F136 HydrophobicContact CB-CZ 4.48Å; A120-F136 WeakPolarHBondContact O-CZ 3.45Å; K123-F136 HydrophobicContact CB-CE1 3.81Å; K123-F136 HydrophobicContact CB-CZ 4.02Å; K123-F136 HydrophobicContact CD-CE1 4.26Å; S124-F136 WeakPolarHBondContact OG-CE2 3.34Å; S124-F136 WeakPolarHBondContact OG-CZ 3.35Å; I134-F136 HydrophobicContact CD1-CD1 4.36Å; I134-F136 HydrophobicContact CD1-CE1 3.59Å; I134-F136 HydrophobicContact CD1-CE2 4.43Å; I134-F136 HydrophobicContact CD1-CZ 3.63Å; I134-F136 HydrophobicContact CG1-CD1 4.5Å; I134-F136 HydrophobicContact CG1-CE1 4.09Å; I134-F136 HydrophobicContact CG1-CE2 4.34Å; I134-F136 HydrophobicContact CG1-CZ 4Å; I134-F136 HydrophobicContact CG2-CE2 3.9Å; I134-F136 HydrophobicContact CG2-CZ 4.01Å; F136-P138 WeakPolarHBondContact O-CD 3.46Å; F136-A150 HydrophobicContact CD2-CB 3.81Å; F136-A150 HydrophobicContact CE2-CB 3.96Å; F136-I167 HydrophobicContact CD2-CG2 4.09Å; F136-I167 HydrophobicContact CE2-CG2 3.81Å; F136-G168 PolarHBondContact N-O 2.87Å; F136-W169 HydrophobicContact CB-CB 4.16Å; F136-W169 WeakPolarHBondContact O-CA 3.34Å; F136-I170 PolarHBondContact O-N 3.28Å
137	S	98.4	Very high	98.3	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.021	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	93.8	164.2	179.3	0	0	0	0	108.2	G109 V111 S178	G109-S137 PolarHBondContact O-N 3.03Å; V111-S137 PolarHBondContact N-O 3.2Å; S137-S178 PolarHBondContact OG-OG 3.3Å
138	P	98.2	Very high	98.3	Very high	4 Å²	4	23.5 Å²	23.5	3%	0.026	11%	0.112	C	C	.	.			trans	-74.4	161	-177.9	31.8	-36.4	0	0	0	112.8	F136 K143 T146 I170 P173	F136-P138 WeakPolarHBondContact O-CD 3.46Å; P138-K143 HydrophobicContact CB-CB 4.18Å; P138-K143 HydrophobicContact CG-CB 3.84Å; P138-T146 HydrophobicContact CB-CG2 3.76Å; P138-I170 WeakPolarHBondContact CG-O 3.09Å; P138-P173 HydrophobicContact CG-CB 4.36Å; P138-P173 HydrophobicContact CG-CG 4.13Å; P138-P173 WeakPolarHBondContact O-CB 3.33Å; P138-P173 WeakPolarHBondContact O-CG 3.42Å
139	H	96.9	Very high	98.3	Very high	76 Å²	76	23.4 Å²	23.4	35%	0.352	11%	0.112	S	C	.	.			trans	-72.1	139.9	168	-171.1	-86.8	0	0	0	110.5	V111 R141 A142 K143	V111-H139 PolarHBondContact O-N 3.29Å; H139-R141 PolarHBondContact ND1-N 3.15Å; H139-R141 PolarHBondContact O-N 2.87Å; H139-A142 CarbonylContact O-C 3.57Å; H139-A142 PolarHBondContact O-N 3.47Å; H139-K143 PolarHBondContact O-N 2.86Å
140	P	96.4	Very high	98.3	Very high	66 Å²	66	23.3 Å²	23.3	43%	0.429	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-55.8	-28.4	-176.3	-28	33.6	0	0	0	116.5	A142 K143 P173	P140-A142 VanDerWaalsContact C-N 3.31Å; P140-K143 PolarHBondContact O-NZ 3.13Å; P140-P173 HydrophobicContact CB-CG 4.33Å; P140-P173 HydrophobicContact CG-CG 4.06Å
141	R	96.7	Very high	98.3	Very high	91 Å²	91	24.9 Å²	24.9	34%	0.343	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	-79.6	-2.6	177	-68.8	178.4	63.7	176.8	1.5	114.6	E56 S57 H139	E56-R141 CarbonylContact C-O 2.93Å; E56-R141 VanDerWaalsContact C-O 3.29Å; S57-R141 WeakPolarHBondContact CA-O 3.03Å; S57-R141 PolarHBondContact N-O 3.41Å; S57-R141 PolarHBondContact O-NH2 3.26Å; H139-R141 PolarHBondContact ND1-N 3.15Å; H139-R141 PolarHBondContact O-N 2.87Å
142	A	97.7	Very high	98.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-149.4	26.2	-176	0	0	0	0	0	112.3	E56 P116 H139 P140 T146	E56-A142 VanDerWaalsContact CD-CA 3.42Å; E56-A142 VanDerWaalsContact OE2-CA 3.23Å; E56-A142 WeakPolarHBondContact OE2-CA 3.48Å; P116-A142 HydrophobicContact CB-CB 3.46Å; P116-A142 VanDerWaalsContact CB-CB 3.46Å; P116-A142 HydrophobicContact CG-CB 3.86Å; H139-A142 CarbonylContact O-C 3.57Å; H139-A142 PolarHBondContact O-N 3.47Å; P140-A142 VanDerWaalsContact C-N 3.31Å; A142-T146 VanDerWaalsContact O-CB 3.28Å; A142-T146 WeakPolarHBondContact O-CB 3.37Å; A142-T146 PolarHBondContact O-N 3.28Å; A142-T146 PolarHBondContact O-OG1 2.76Å
143	K	98	Very high	98.3	Very high	39 Å²	39	25.6 Å²	25.6	17%	0.17	13%	0.125	C	C	.	.	H	α-helix	trans	-68.5	-41.6	-174.2	60	-172.3	-174.5	-55.9	0	111.1	E56 P138 H139 P140 N147 D171 P173	E56-K143 VanDerWaalsContact OE1-CG 3.31Å; E56-K143 WeakPolarHBondContact OE1-CG 3.33Å; E56-K143 PolarHBondContact OE1-N 3.25Å; E56-K143 IonicContact OE1-NZ 3.66Å; E56-K143 PolarHBondContact OE2-N 3.29Å; P138-K143 HydrophobicContact CB-CB 4.18Å; P138-K143 HydrophobicContact CG-CB 3.84Å; H139-K143 PolarHBondContact O-N 2.86Å; P140-K143 PolarHBondContact O-NZ 3.13Å; K143-N147 WeakPolarHBondContact O-CB 3.38Å; K143-N147 PolarHBondContact O-N 3.09Å; K143-N147 PolarHBondContact O-ND2 2.64Å; K143-N147 PolarHBondContact O-OD1 2.73Å; K143-D171 WeakPolarHBondContact CD-O 3.11Å; K143-P173 HydrophobicContact CB-CG 4.14Å; K143-P173 HydrophobicContact CD-CG 4.31Å
144	D	98.4	Very high	98.2	Very high	89 Å²	89	25.9 Å²	25.9	48%	0.476	13%	0.127	S	C	.	.	H	α-helix	trans	-69.6	-43.8	-177.9	-57.6	-32.2	0	0	0	110.2	E56 K148	E56-D144 VanDerWaalsContact CD-N 3.33Å; E56-D144 PolarHBondContact OE1-N 3.48Å; E56-D144 WeakPolarHBondContact OE2-CB 3.4Å; E56-D144 PolarHBondContact OE2-N 3.1Å; D144-K148 WeakPolarHBondContact O-CB 3.31Å; D144-K148 PolarHBondContact O-N 3.3Å
145	A	98.5	Very high	98.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.1	-47.8	176.9	0	0	0	0	0	112.4	M52 A53 E56 T117 K148 A149	M52-A145 HydrophobicContact CB-CB 4.34Å; M52-A145 HydrophobicContact CG-CB 3.93Å; M52-A145 HydrophobicContact SD-CB 4.39Å; A53-A145 HydrophobicContact CB-CB 4.19Å; E56-A145 WeakPolarHBondContact OE2-CB 3.45Å; E56-A145 PolarHBondContact OE2-N 3.09Å; T117-A145 HydrophobicContact CG2-CB 3.97Å; T117-A145 WeakPolarHBondContact CG2-O 3.45Å; A145-K148 PolarHBondContact O-N 3.1Å; A145-A149 PolarHBondContact O-N 3.26Å
146	T	98.5	Very high	98.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.2	-47.9	177.2	-74.6	0	0	0	0	111.4	V111 P116 A120 P138 A142 K148 A149 A150	V111-T146 HydrophobicContact CB-CG2 4.14Å; V111-T146 HydrophobicContact CG1-CG2 3.96Å; V111-T146 WeakPolarHBondContact CG1-OG1 3.46Å; V111-T146 HydrophobicContact CG2-CG2 4.07Å; P116-T146 VanDerWaalsContact C-OG1 3.28Å; P116-T146 WeakPolarHBondContact CA-OG1 3.2Å; P116-T146 WeakPolarHBondContact CB-OG1 3.32Å; P116-T146 PolarHBondContact O-OG1 3.32Å; A120-T146 HydrophobicContact CB-CG2 4Å; P138-T146 HydrophobicContact CB-CG2 3.76Å; A142-T146 VanDerWaalsContact O-CB 3.28Å; A142-T146 WeakPolarHBondContact O-CB 3.37Å; A142-T146 PolarHBondContact O-N 3.28Å; A142-T146 PolarHBondContact O-OG1 2.76Å; T146-K148 VanDerWaalsContact C-N 3.3Å; T146-K148 PolarHBondContact O-N 2.62Å; T146-A149 WeakPolarHBondContact O-CB 3.13Å; T146-A149 PolarHBondContact O-N 3.08Å; T146-A150 PolarHBondContact O-N 3.37Å
147	N	98.5	Very high	98.2	Very high	10 Å²	10	31.4 Å²	31.4	5%	0.053	16%	0.155	C	C	.	.	H	α-helix	trans	-67.1	-36.6	-177.8	-65.8	-2.5	0	0	0	110.6	K143 A149 A150 D151 W169 I170 D171	K143-N147 WeakPolarHBondContact O-CB 3.38Å; K143-N147 PolarHBondContact O-N 3.09Å; K143-N147 PolarHBondContact O-ND2 2.64Å; K143-N147 PolarHBondContact O-OD1 2.73Å; N147-A149 VanDerWaalsContact C-N 3.33Å; N147-A149 PolarHBondContact O-N 3.46Å; N147-A150 PolarHBondContact O-N 3.08Å; N147-D151 WeakPolarHBondContact O-CB 3.28Å; N147-D151 PolarHBondContact O-N 3.01Å; N147-W169 HydrophobicContact CB-CB 4.43Å; N147-W169 HydrophobicContact CB-CD2 4.31Å; N147-W169 HydrophobicContact CB-CG 3.87Å; N147-W169 VanDerWaalsContact ND2-CD1 3.26Å; N147-W169 WeakPolarHBondContact OD1-CB 3.2Å; N147-I170 PolarHBondContact ND2-O 3.29Å; N147-D171 WeakPolarHBondContact ND2-CA 3.35Å
148	K	98.7	Very high	98.2	Very high	88 Å²	88	33.6 Å²	33.6	38%	0.383	17%	0.166	S	C	.	.	H	α-helix	trans	-65.5	-36.7	174.5	-170.3	59.5	-175.6	167.1	0	112.6	L49 M52 D144 A145 T146 D151 I152	L49-K148 HydrophobicContact CD2-CB 4.3Å; L49-K148 HydrophobicContact CD2-CG 4.17Å; M52-K148 HydrophobicContact CE-CB 4.42Å; M52-K148 HydrophobicContact CE-CG 4.11Å; M52-K148 HydrophobicContact SD-CB 3.74Å; M52-K148 HydrophobicContact SD-CG 4.07Å; D144-K148 WeakPolarHBondContact O-CB 3.31Å; D144-K148 PolarHBondContact O-N 3.3Å; A145-K148 PolarHBondContact O-N 3.1Å; T146-K148 VanDerWaalsContact C-N 3.3Å; T146-K148 PolarHBondContact O-N 2.62Å; K148-D151 IonicContact NZ-OD2 3.82Å; K148-D151 PolarHBondContact NZ-OD2 3.16Å; K148-D151 PolarHBondContact O-N 2.89Å; K148-I152 HydrophobicContact CG-CD1 4.27Å; K148-I152 VanDerWaalsContact O-CG1 3.28Å; K148-I152 WeakPolarHBondContact O-CG1 3.16Å; K148-I152 PolarHBondContact O-N 3.12Å
149	A	98.7	Very high	98.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.8	-43.4	173.6	0	0	0	0	0	111.8	L49 T117 A120 I121 A145 T146 N147 I152 V153	L49-A149 HydrophobicContact CD1-CB 4.03Å; L49-A149 HydrophobicContact CD2-CB 4.05Å; T117-A149 HydrophobicContact CG2-CB 4.18Å; A120-A149 HydrophobicContact CB-CB 4.18Å; I121-A149 HydrophobicContact CG1-CB 4.3Å; A145-A149 PolarHBondContact O-N 3.26Å; T146-A149 WeakPolarHBondContact O-CB 3.13Å; T146-A149 PolarHBondContact O-N 3.08Å; N147-A149 VanDerWaalsContact C-N 3.33Å; N147-A149 PolarHBondContact O-N 3.46Å; A149-I152 PolarHBondContact O-N 3.39Å; A149-V153 WeakPolarHBondContact O-CG2 3.33Å; A149-V153 PolarHBondContact O-N 2.74Å
150	A	98.6	Very high	98.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-41.5	175.9	0	0	0	0	0	112.3	F136 T146 N147 V153 L154 I167 W169	F136-A150 HydrophobicContact CD2-CB 3.81Å; F136-A150 HydrophobicContact CE2-CB 3.96Å; T146-A150 PolarHBondContact O-N 3.37Å; N147-A150 PolarHBondContact O-N 3.08Å; A150-V153 PolarHBondContact O-N 3.07Å; A150-L154 WeakPolarHBondContact O-CB 3.36Å; A150-L154 PolarHBondContact O-N 3.46Å; A150-I167 HydrophobicContact CB-CG2 4.01Å; A150-W169 HydrophobicContact CB-CD2 4.43Å; A150-W169 HydrophobicContact CB-CE3 3.62Å; A150-W169 HydrophobicContact CB-CZ3 4.01Å
151	D	98.6	Very high	98.4	Very high	33 Å²	33	33.7 Å²	33.7	18%	0.176	19%	0.19	C	C	.	.	H	α-helix	trans	-60.6	-48.2	175.3	177.9	54.5	0	0	0	111.8	N147 K148 V153 L154 Q155 W169	N147-D151 WeakPolarHBondContact O-CB 3.28Å; N147-D151 PolarHBondContact O-N 3.01Å; K148-D151 IonicContact NZ-OD2 3.82Å; K148-D151 PolarHBondContact NZ-OD2 3.16Å; K148-D151 PolarHBondContact O-N 2.89Å; D151-V153 VanDerWaalsContact C-N 3.28Å; D151-V153 PolarHBondContact O-N 2.82Å; D151-L154 PolarHBondContact O-N 2.79Å; D151-L154 VanDerWaalsContact O-N 3.15Å; D151-Q155 WeakPolarHBondContact O-CG 3.25Å; D151-Q155 PolarHBondContact O-N 3.21Å; D151-Q155 PolarHBondContact OD1-NE2 3.18Å; D151-W169 HydrophobicContact CB-CH2 3.56Å; D151-W169 HydrophobicContact CB-CZ2 4Å; D151-W169 HydrophobicContact CB-CZ3 4.21Å
152	I	98.7	Very high	98.5	Very high	37 Å²	37	29.7 Å²	29.7	19%	0.19	18%	0.177	C	C	.	.	H	α-helix	trans	-57.6	-43.3	177.9	-71.4	173.4	0	0	0	111.3	A41 A45 L49 K148 A149 A156	A41-I152 HydrophobicContact CB-CG2 3.98Å; A45-I152 HydrophobicContact CB-CD1 3.6Å; A45-I152 HydrophobicContact CB-CG2 4.02Å; L49-I152 HydrophobicContact CD1-CD1 4.22Å; L49-I152 HydrophobicContact CD2-CD1 3.92Å; L49-I152 HydrophobicContact CG-CD1 4.14Å; K148-I152 HydrophobicContact CG-CD1 4.27Å; K148-I152 VanDerWaalsContact O-CG1 3.28Å; K148-I152 WeakPolarHBondContact O-CG1 3.16Å; K148-I152 PolarHBondContact O-N 3.12Å; A149-I152 PolarHBondContact O-N 3.39Å; I152-A156 WeakPolarHBondContact O-CB 3.44Å; I152-A156 PolarHBondContact O-N 2.61Å
153	V	98.7	Very high	98.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66	-45.2	176.6	171	0	0	0	0	111.4	A38 A42 I121 L128 A149 A150 D151 A156 A157 I167	A38-V153 HydrophobicContact CB-CG1 3.9Å; A42-V153 HydrophobicContact CB-CG2 4.24Å; I121-V153 HydrophobicContact CG1-CG2 4.48Å; L128-V153 HydrophobicContact CD1-CG1 3.92Å; A149-V153 WeakPolarHBondContact O-CG2 3.33Å; A149-V153 PolarHBondContact O-N 2.74Å; A150-V153 PolarHBondContact O-N 3.07Å; D151-V153 VanDerWaalsContact C-N 3.28Å; D151-V153 PolarHBondContact O-N 2.82Å; V153-A156 PolarHBondContact O-N 3.34Å; V153-A157 WeakPolarHBondContact O-CB 3.2Å; V153-A157 PolarHBondContact O-N 3.49Å; V153-I167 HydrophobicContact CB-CD1 4.48Å; V153-I167 HydrophobicContact CG1-CD1 3.75Å
154	L	98.6	Very high	98.4	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.037	20%	0.204	C	C	.	.	H	α-helix	trans	-63.3	-49.4	-179.7	178.7	60.1	0	0	0	112.2	A150 D151 A156 A157 I158 L166 I167 W169	A150-L154 WeakPolarHBondContact O-CB 3.36Å; A150-L154 PolarHBondContact O-N 3.46Å; D151-L154 PolarHBondContact O-N 2.79Å; D151-L154 VanDerWaalsContact O-N 3.15Å; L154-A156 VanDerWaalsContact C-N 3.27Å; L154-A156 PolarHBondContact O-N 3.37Å; L154-A157 WeakPolarHBondContact O-CB 3.36Å; L154-A157 PolarHBondContact O-N 2.85Å; L154-A157 VanDerWaalsContact O-N 3.1Å; L154-I158 HydrophobicContact CD1-CD1 3.89Å; L154-I158 HydrophobicContact CD1-CG1 4.03Å; L154-I158 HydrophobicContact CD2-CD1 4.41Å; L154-I158 HydrophobicContact CG-CD1 3.74Å; L154-I158 HydrophobicContact CG-CG1 4.32Å; L154-I158 VanDerWaalsContact O-CG1 3.28Å; L154-I158 WeakPolarHBondContact O-CG1 3.31Å; L154-I158 PolarHBondContact O-N 3.47Å; L154-L166 HydrophobicContact CD1-CB 4.37Å; L154-I167 HydrophobicContact CB-CB 4.15Å; L154-I167 HydrophobicContact CB-CD1 4.31Å; L154-I167 HydrophobicContact CD1-CB 4.03Å; L154-I167 HydrophobicContact CD1-CG1 4.3Å; L154-I167 HydrophobicContact CD2-CB 4.38Å; L154-I167 WeakPolarHBondContact CD2-O 3.25Å; L154-I167 HydrophobicContact CG-CB 4.4Å; L154-W169 HydrophobicContact CD2-CH2 4.18Å; L154-W169 HydrophobicContact CD2-CZ3 3.98Å
155	Q	98.7	Very high	98.2	Very high	100 Å²	100	33.8 Å²	33.8	47%	0.467	19%	0.193	S	C	.	.	H	α-helix	trans	-61.1	-39.6	-179.2	-62.2	-48.5	-38	0	0	111.4	D151 I158 A159	D151-Q155 WeakPolarHBondContact O-CG 3.25Å; D151-Q155 PolarHBondContact O-N 3.21Å; D151-Q155 PolarHBondContact OD1-NE2 3.18Å; Q155-I158 PolarHBondContact O-N 3.48Å; Q155-A159 WeakPolarHBondContact O-CB 3.45Å; Q155-A159 PolarHBondContact O-N 2.95Å
156	A	98.6	Very high	98.2	Very high	17 Å²	17	33.8 Å²	33.8	14%	0.14	19%	0.193	C	C	.	.	H	α-helix	trans	-66.3	-39.4	174.8	0	0	0	0	0	112.4	A41 I152 V153 L154 A159 A160	A41-A156 HydrophobicContact CB-CB 3.38Å; I152-A156 WeakPolarHBondContact O-CB 3.44Å; I152-A156 PolarHBondContact O-N 2.61Å; V153-A156 PolarHBondContact O-N 3.34Å; L154-A156 VanDerWaalsContact C-N 3.27Å; L154-A156 PolarHBondContact O-N 3.37Å; A156-A159 PolarHBondContact O-N 3.33Å; A156-A160 WeakPolarHBondContact O-CB 3.31Å; A156-A160 PolarHBondContact O-N 3.24Å; A156-A160 VanDerWaalsContact O-N 3.1Å
157	A	98.7	Very high	98.2	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63	-45.1	174.3	0	0	0	0	0	111.6	I34 L128 V153 L154 A160 G161 A162	I34-A157 HydrophobicContact CG2-CB 3.72Å; L128-A157 HydrophobicContact CD1-CB 4.11Å; V153-A157 WeakPolarHBondContact O-CB 3.2Å; V153-A157 PolarHBondContact O-N 3.49Å; L154-A157 WeakPolarHBondContact O-CB 3.36Å; L154-A157 PolarHBondContact O-N 2.85Å; L154-A157 VanDerWaalsContact O-N 3.1Å; A157-A160 CarbonylContact O-C 3.45Å; A157-A160 WeakPolarHBondContact O-CB 3.47Å; A157-A160 PolarHBondContact O-N 3.44Å; A157-A160 VanDerWaalsContact O-N 3.11Å; A157-G161 PolarHBondContact O-N 2.89Å; A157-G161 VanDerWaalsContact O-N 3.1Å; A157-A162 VanDerWaalsContact C-CB 3.44Å; A157-A162 HydrophobicContact CB-CB 3.8Å; A157-A162 WeakPolarHBondContact O-CB 3.3Å; A157-A162 PolarHBondContact O-N 3.47Å
158	I	98.6	Very high	98.2	Very high	49 Å²	49	33.7 Å²	33.7	25%	0.251	19%	0.193	S	C	.	.	H	α-helix	trans	-61	-47.6	177	-65.7	164.8	0	0	0	110.6	L154 Q155 A160 G161 A162 K164	L154-I158 HydrophobicContact CD1-CD1 3.89Å; L154-I158 HydrophobicContact CD1-CG1 4.03Å; L154-I158 HydrophobicContact CD2-CD1 4.41Å; L154-I158 HydrophobicContact CG-CD1 3.74Å; L154-I158 HydrophobicContact CG-CG1 4.32Å; L154-I158 VanDerWaalsContact O-CG1 3.28Å; L154-I158 WeakPolarHBondContact O-CG1 3.31Å; L154-I158 PolarHBondContact O-N 3.47Å; Q155-I158 PolarHBondContact O-N 3.48Å; I158-A160 PolarHBondContact O-N 2.92Å; I158-A160 VanDerWaalsContact O-N 3.16Å; I158-G161 PolarHBondContact O-N 3.28Å; I158-A162 WeakPolarHBondContact CA-O 3.35Å; I158-K164 HydrophobicContact CD1-CB 4.18Å; I158-K164 WeakPolarHBondContact CD1-O 3.48Å
159	A	98.3	Very high	98.2	Very high	92 Å²	92	31.8 Å²	31.8	76%	0.76	18%	0.184	S	C	*	.	H	α-helix	trans	-60	-26	176.8	0	0	0	0	0	112.8	Q155 A156	Q155-A159 WeakPolarHBondContact O-CB 3.45Å; Q155-A159 PolarHBondContact O-N 2.95Å; A156-A159 PolarHBondContact O-N 3.33Å
160	A	98.5	Very high	98.2	Very high	12 Å²	12	31.8 Å²	31.8	10%	0.099	18%	0.184	C	C	.	.	H	α-helix	trans	-86.6	-11.3	174.9	0	0	0	0	0	114.4	K33 I34 A37 A156 A157 I158	K33-A160 HydrophobicContact CG-CB 4.46Å; K33-A160 PolarHBondContact NZ-O 3.37Å; I34-A160 HydrophobicContact CB-CB 4.44Å; I34-A160 HydrophobicContact CG1-CB 3.87Å; A37-A160 HydrophobicContact CB-CB 3.55Å; A156-A160 WeakPolarHBondContact O-CB 3.31Å; A156-A160 PolarHBondContact O-N 3.24Å; A156-A160 VanDerWaalsContact O-N 3.1Å; A157-A160 CarbonylContact O-C 3.45Å; A157-A160 WeakPolarHBondContact O-CB 3.47Å; A157-A160 PolarHBondContact O-N 3.44Å; A157-A160 VanDerWaalsContact O-N 3.11Å; I158-A160 PolarHBondContact O-N 2.92Å; I158-A160 VanDerWaalsContact O-N 3.16Å
161	G	98.1	Very high	98.1	Very high	43 Å²	43	34 Å²	34	44%	0.443	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	125.4	4.2	175.7	0	0	0	0	0	115.7	F26 A157 I158	F26-G161 VanDerWaalsContact CE2-O 3.24Å; F26-G161 WeakPolarHBondContact CE2-O 3.2Å; F26-G161 WeakPolarHBondContact CZ-O 3.28Å; A157-G161 PolarHBondContact O-N 2.89Å; A157-G161 VanDerWaalsContact O-N 3.1Å; I158-G161 PolarHBondContact O-N 3.28Å
162	A	98.4	Very high	98.1	Very high	8 Å²	8	37.4 Å²	37.4	7%	0.066	21%	0.211	C	C	.	.			trans	-74	154.7	179.7	0	0	0	0	0	112.9	I34 A157 I158 L166	I34-A162 HydrophobicContact CD1-CB 3.87Å; I34-A162 HydrophobicContact CG1-CB 4.3Å; I34-A162 HydrophobicContact CG2-CB 4.22Å; A157-A162 VanDerWaalsContact C-CB 3.44Å; A157-A162 HydrophobicContact CB-CB 3.8Å; A157-A162 WeakPolarHBondContact O-CB 3.3Å; A157-A162 PolarHBondContact O-N 3.47Å; I158-A162 WeakPolarHBondContact CA-O 3.35Å; A162-L166 HydrophobicContact CB-CD2 4.25Å
163	P	97.9	Very high	98	Very high	9 Å²	9	36.2 Å²	36.2	6%	0.058	21%	0.205	C	C	.	.			trans	-63.6	147.2	172	-24.2	36.2	0	0	0	113.2	A19 E22 D165 L166	A19-P163 HydrophobicContact CB-CB 3.76Å; E22-P163 HydrophobicContact CB-CG 4.07Å; E22-P163 HydrophobicContact CG-CG 3.93Å; P163-D165 VanDerWaalsContact C-N 3.28Å; P163-D165 PolarHBondContact O-N 3.08Å; P163-D165 VanDerWaalsContact O-N 3.11Å; P163-L166 WeakPolarHBondContact O-CB 3.31Å; P163-L166 PolarHBondContact O-N 3.35Å
164	K	95.2	Very high	97.8	Very high	156 Å²	156	38.4 Å²	38.4	68%	0.678	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-16.5	-167	65	176	-176.8	179.2	0	117.7	I158	I158-K164 HydrophobicContact CD1-CB 4.18Å; I158-K164 WeakPolarHBondContact CD1-O 3.48Å
165	D	94.6	Very high	97.5	Very high	48 Å²	48	44.2 Å²	44.2	26%	0.257	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	21	-174.6	-64.4	-59.7	0	0	0	111.5	R15 V16 A19 P163 I167	R15-D165 HydrophobicContact CB-CB 4.31Å; R15-D165 HydrophobicContact CG-CB 4.06Å; R15-D165 IonicContact NE-OD1 3.83Å; V16-D165 WeakPolarHBondContact CG2-O 3.48Å; A19-D165 HydrophobicContact CB-CB 4.43Å; P163-D165 VanDerWaalsContact C-N 3.28Å; P163-D165 PolarHBondContact O-N 3.08Å; P163-D165 VanDerWaalsContact O-N 3.11Å; D165-I167 PolarHBondContact O-N 2.82Å
166	L	98	Very high	97.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	-65.5	-26.6	-173.5	-169.8	68.7	0	0	0	113.2	A19 Y23 L128 A133 I134 L154 A162 P163	A19-L166 HydrophobicContact CB-CB 4.32Å; A19-L166 HydrophobicContact CB-CD1 4.19Å; Y23-L166 HydrophobicContact CD1-CD1 3.77Å; Y23-L166 HydrophobicContact CD1-CD2 3.36Å; Y23-L166 HydrophobicContact CD1-CG 4.16Å; Y23-L166 HydrophobicContact CD2-CD2 4.1Å; Y23-L166 HydrophobicContact CE1-CD2 3.53Å; Y23-L166 HydrophobicContact CE2-CD2 4.29Å; Y23-L166 HydrophobicContact CG-CD1 3.92Å; Y23-L166 HydrophobicContact CG-CD2 3.65Å; Y23-L166 HydrophobicContact CG-CG 4.47Å; L128-L166 HydrophobicContact CD2-CD2 3.35Å; L128-L166 HydrophobicContact CD2-CG 4.28Å; A133-L166 WeakPolarHBondContact CA-O 3.47Å; A133-L166 HydrophobicContact CB-CD1 3.93Å; A133-L166 HydrophobicContact CB-CG 4.48Å; A133-L166 VanDerWaalsContact CB-O 3.25Å; A133-L166 WeakPolarHBondContact CB-O 3.21Å; I134-L166 PolarHBondContact N-O 3.21Å; L154-L166 HydrophobicContact CD1-CB 4.37Å; A162-L166 HydrophobicContact CB-CD2 4.25Å; P163-L166 WeakPolarHBondContact O-CB 3.31Å; P163-L166 PolarHBondContact O-N 3.35Å
167	I	98.7	Very high	97.4	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.026	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.8	173.5	-60.1	173.1	0	0	0	107.7	L128 I134 F136 A150 V153 L154 D165 W169	L128-I167 HydrophobicContact CD1-CD1 4.3Å; L128-I167 HydrophobicContact CD2-CD1 4.36Å; L128-I167 HydrophobicContact CG-CD1 4.42Å; I134-I167 HydrophobicContact CG2-CG1 4.03Å; I134-I167 HydrophobicContact CG2-CG2 4.21Å; I134-I167 CarbonylContact O-C 3.29Å; I134-I167 WeakPolarHBondContact O-CA 3.13Å; F136-I167 HydrophobicContact CD2-CG2 4.09Å; F136-I167 HydrophobicContact CE2-CG2 3.81Å; A150-I167 HydrophobicContact CB-CG2 4.01Å; V153-I167 HydrophobicContact CB-CD1 4.48Å; V153-I167 HydrophobicContact CG1-CD1 3.75Å; L154-I167 HydrophobicContact CB-CB 4.15Å; L154-I167 HydrophobicContact CB-CD1 4.31Å; L154-I167 HydrophobicContact CD1-CB 4.03Å; L154-I167 HydrophobicContact CD1-CG1 4.3Å; L154-I167 HydrophobicContact CD2-CB 4.38Å; L154-I167 WeakPolarHBondContact CD2-O 3.25Å; L154-I167 HydrophobicContact CG-CB 4.4Å; D165-I167 PolarHBondContact O-N 2.82Å; I167-W169 HydrophobicContact CG2-CE3 4.32Å; I167-W169 HydrophobicContact CG2-CZ3 4.42Å
168	G	98.4	Very high	97.3	Very high	3 Å²	3	46.2 Å²	46.2	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	166.3	175.8	0	0	0	0	0	112.1	I134 I135 F136	I134-G168 PolarHBondContact O-N 3.04Å; I135-G168 CarbonylContact C-O 3.53Å; I135-G168 WeakPolarHBondContact CA-O 3.36Å; F136-G168 PolarHBondContact N-O 2.87Å
169	W	98.6	Very high	97.2	Very high	48 Å²	48	47.5 Å²	47.5	18%	0.182	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	160.1	174.2	52.8	81.5	0	0	0	111.4	F136 N147 A150 D151 L154 I167 D171	F136-W169 HydrophobicContact CB-CB 4.16Å; F136-W169 WeakPolarHBondContact O-CA 3.34Å; N147-W169 HydrophobicContact CB-CB 4.43Å; N147-W169 HydrophobicContact CB-CD2 4.31Å; N147-W169 HydrophobicContact CB-CG 3.87Å; N147-W169 VanDerWaalsContact ND2-CD1 3.26Å; N147-W169 WeakPolarHBondContact OD1-CB 3.2Å; A150-W169 HydrophobicContact CB-CD2 4.43Å; A150-W169 HydrophobicContact CB-CE3 3.62Å; A150-W169 HydrophobicContact CB-CZ3 4.01Å; D151-W169 HydrophobicContact CB-CH2 3.56Å; D151-W169 HydrophobicContact CB-CZ2 4Å; D151-W169 HydrophobicContact CB-CZ3 4.21Å; L154-W169 HydrophobicContact CD2-CH2 4.18Å; L154-W169 HydrophobicContact CD2-CZ3 3.98Å; I167-W169 HydrophobicContact CG2-CE3 4.32Å; I167-W169 HydrophobicContact CG2-CZ3 4.42Å; W169-D171 VanDerWaalsContact CD1-OD1 3.25Å; W169-D171 PolarHBondContact NE1-OD1 3.24Å; W169-D171 VanDerWaalsContact NE1-OD1 3.1Å
170	I	98.6	Very high	97.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.246	C	C	.	.			trans	-92.8	121.5	170.7	-63.4	166.5	0	0	0	108.4	V3 L9 F136 P138 N147 P173 L177 L181	V3-I170 HydrophobicContact CG1-CB 4.42Å; V3-I170 HydrophobicContact CG1-CG1 4.07Å; V3-I170 HydrophobicContact CG1-CG2 4.39Å; L9-I170 HydrophobicContact CD1-CD1 4.22Å; L9-I170 HydrophobicContact CD1-CG1 4.14Å; F136-I170 PolarHBondContact O-N 3.28Å; P138-I170 WeakPolarHBondContact CG-O 3.09Å; N147-I170 PolarHBondContact ND2-O 3.29Å; I170-P173 HydrophobicContact CG2-CB 4.25Å; I170-L177 HydrophobicContact CD1-CB 4.14Å; I170-L177 HydrophobicContact CG2-CD1 3.87Å; I170-L181 HydrophobicContact CD1-CD2 4.16Å
171	D	98	Very high	97.1	Very high	47 Å²	47	43.9 Å²	43.9	25%	0.251	24%	0.242	S	C	.	.	S	Bend	trans	-76	-40.1	-179.1	-63.3	-66.5	0	0	0	112	A2 V3 K143 N147 W169 P173	A2-D171 WeakPolarHBondContact CA-OD2 3.49Å; V3-D171 PolarHBondContact N-OD2 2.89Å; V3-D171 PolarHBondContact O-N 3.05Å; K143-D171 WeakPolarHBondContact CD-O 3.11Å; N147-D171 WeakPolarHBondContact ND2-CA 3.35Å; W169-D171 VanDerWaalsContact CD1-OD1 3.25Å; W169-D171 PolarHBondContact NE1-OD1 3.24Å; W169-D171 VanDerWaalsContact NE1-OD1 3.1Å; D171-P173 WeakPolarHBondContact O-CD 3.26Å
172	Q	97.4	Very high	97.2	Very high	105 Å²	105	42 Å²	42	49%	0.491	22%	0.222	S	C	.	.	S	Bend	trans	-120.4	85.1	177.2	-170.5	61.8	29.4	0	0	110.3	V3 T4 L177	V3-Q172 PolarHBondContact O-N 2.97Å; T4-Q172 HydrophobicContact CG2-CB 3.98Å; Q172-L177 WeakPolarHBondContact O-CD1 3.33Å
173	P	96.7	Very high	97.1	Very high	11 Å²	11	45.8 Å²	45.8	7%	0.071	24%	0.238	C	C	.	.			trans	-67.9	140.9	-173.9	29	-36.8	0	0	0	112.4	P138 P140 K143 I170 D171	P138-P173 HydrophobicContact CG-CB 4.36Å; P138-P173 HydrophobicContact CG-CG 4.13Å; P138-P173 WeakPolarHBondContact O-CB 3.33Å; P138-P173 WeakPolarHBondContact O-CG 3.42Å; P140-P173 HydrophobicContact CB-CG 4.33Å; P140-P173 HydrophobicContact CG-CG 4.06Å; K143-P173 HydrophobicContact CB-CG 4.14Å; K143-P173 HydrophobicContact CD-CG 4.31Å; I170-P173 HydrophobicContact CG2-CB 4.25Å; D171-P173 WeakPolarHBondContact O-CD 3.26Å
174	S	95.1	Very high	97.2	Very high	46 Å²	46	46.3 Å²	46.3	32%	0.322	24%	0.239	S	C	.	.			trans	-140.8	159.9	171.8	74	0	0	0	0	109.6	E176 L177 S178	S174-E176 PolarHBondContact O-N 2.8Å; S174-L177 PolarHBondContact O-N 3.15Å; S174-L177 WeakPolarHBondContact OG-CG 3.49Å; S174-L177 PolarHBondContact OG-N 2.78Å; S174-L177 VanDerWaalsContact OG-N 3.11Å; S174-S178 PolarHBondContact O-N 2.93Å; S174-S178 PolarHBondContact O-OG 2.88Å; S174-S178 VanDerWaalsContact O-OG 3.14Å
175	V	93.1	Very high	97.3	Very high	130 Å²	130	43.5 Å²	43.5	79%	0.788	24%	0.237	S	C	*	.	H	α-helix	trans	-57.8	-39.1	175	177	0	0	0	0	110.8	N179	V175-N179 WeakPolarHBondContact O-CB 3.42Å; V175-N179 PolarHBondContact O-N 3.27Å
176	E	96.2	Very high	97.5	Very high	140 Å²	140	43.2 Å²	43.2	65%	0.654	24%	0.236	S	C	*	.	H	α-helix	trans	-58.7	-48.9	176.2	-177.3	-177.9	-166.6	0	0	111.8	V6 S174 N179 A180	V6-E176 HydrophobicContact CG2-CG 4.41Å; S174-E176 PolarHBondContact O-N 2.8Å; E176-N179 PolarHBondContact O-N 3.36Å; E176-A180 VanDerWaalsContact O-CB 3.3Å; E176-A180 WeakPolarHBondContact O-CB 3.28Å; E176-A180 PolarHBondContact O-N 3.32Å
177	L	97.5	Very high	97.5	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	24%	0.236	C	C	.	.	H	α-helix	trans	-68.2	-43.1	-180	-70.6	173.4	0	0	0	112.7	V6 L9 I170 Q172 S174 N179 A180 L181	V6-L177 HydrophobicContact CG2-CD2 3.9Å; L9-L177 HydrophobicContact CB-CD2 4.39Å; L9-L177 HydrophobicContact CD2-CD2 4.25Å; L9-L177 WeakPolarHBondContact CD2-O 3.42Å; I170-L177 HydrophobicContact CD1-CB 4.14Å; I170-L177 HydrophobicContact CG2-CD1 3.87Å; Q172-L177 WeakPolarHBondContact O-CD1 3.33Å; S174-L177 PolarHBondContact O-N 3.15Å; S174-L177 WeakPolarHBondContact OG-CG 3.49Å; S174-L177 PolarHBondContact OG-N 2.78Å; S174-L177 VanDerWaalsContact OG-N 3.11Å; L177-N179 VanDerWaalsContact C-N 3.3Å; L177-N179 PolarHBondContact O-N 3.18Å; L177-A180 PolarHBondContact O-N 2.85Å; L177-L181 WeakPolarHBondContact O-CB 3.48Å; L177-L181 PolarHBondContact O-N 3.37Å
178	S	96.3	Very high	97.5	Very high	15 Å²	15	46.3 Å²	46.3	11%	0.105	25%	0.252	C	S	.	.	H	α-helix	trans	-60.8	-43.2	175.7	-57	0	0	0	0	110.9	S137 S174 L181 M182	S137-S178 PolarHBondContact OG-OG 3.3Å; S174-S178 PolarHBondContact O-N 2.93Å; S174-S178 PolarHBondContact O-OG 2.88Å; S174-S178 VanDerWaalsContact O-OG 3.14Å; S178-L181 PolarHBondContact O-N 3.47Å; S178-M182 WeakPolarHBondContact O-CB 3.28Å; S178-M182 WeakPolarHBondContact O-CG 3.31Å; S178-M182 PolarHBondContact O-N 3.07Å
179	N	96.9	Very high	97.5	Very high	76 Å²	76	46.4 Å²	46.4	41%	0.406	25%	0.252	S	S	.	.	H	α-helix	trans	-66.6	-43.3	178.9	-164.4	58.6	0	0	0	111.5	V175 E176 L177 L181 M182 H183	V175-N179 WeakPolarHBondContact O-CB 3.42Å; V175-N179 PolarHBondContact O-N 3.27Å; E176-N179 PolarHBondContact O-N 3.36Å; L177-N179 VanDerWaalsContact C-N 3.3Å; L177-N179 PolarHBondContact O-N 3.18Å; N179-L181 VanDerWaalsContact C-N 3.34Å; N179-L181 PolarHBondContact O-N 3.49Å; N179-M182 PolarHBondContact O-N 3.2Å; N179-H183 PolarHBondContact O-N 3.03Å; N179-H183 VanDerWaalsContact O-N 3.08Å; N179-H183 PolarHBondContact O-ND1 3.44Å; N179-H183 PolarHBondContact OD1-CE1 3.34Å; N179-H183 PolarHBondContact OD1-ND1 2.8Å
180	A	97.8	Very high	97.5	Very high	28 Å²	28	44.1 Å²	44.1	23%	0.231	24%	0.243	C	C	.	.	H	α-helix	trans	-59.7	-42.9	174.6	0	0	0	0	0	111.7	V6 L9 E176 L177 H183 H184	V6-A180 HydrophobicContact CG1-CB 4.43Å; V6-A180 HydrophobicContact CG2-CB 4.42Å; L9-A180 HydrophobicContact CD2-CB 3.94Å; E176-A180 VanDerWaalsContact O-CB 3.3Å; E176-A180 WeakPolarHBondContact O-CB 3.28Å; E176-A180 PolarHBondContact O-N 3.32Å; L177-A180 PolarHBondContact O-N 2.85Å; A180-H183 PolarHBondContact O-N 3.45Å; A180-H184 WeakPolarHBondContact O-CB 3.39Å; A180-H184 PolarHBondContact O-N 3.11Å
181	L	98.4	Very high	97.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.2	-47.7	176.3	-179.8	58.9	0	0	0	111.6	L9 V13 C108 I135 I170 L177 S178 N179 H183 H184 I187	L9-L181 HydrophobicContact CD1-CB 4.3Å; L9-L181 HydrophobicContact CD1-CD1 4.07Å; L9-L181 HydrophobicContact CD2-CB 3.98Å; V13-L181 HydrophobicContact CG2-CD1 4.05Å; C108-L181 HydrophobicContact CB-CD2 4.3Å; C108-L181 HydrophobicContact CB-CG 4.16Å; C108-L181 VanDerWaalsContact SG-CD2 3.52Å; I135-L181 HydrophobicContact CB-CD1 4.31Å; I135-L181 HydrophobicContact CB-CD2 4.3Å; I135-L181 HydrophobicContact CD1-CD1 4.32Å; I135-L181 HydrophobicContact CG2-CD1 4.06Å; I135-L181 HydrophobicContact CG2-CD2 3.71Å; I170-L181 HydrophobicContact CD1-CD2 4.16Å; L177-L181 WeakPolarHBondContact O-CB 3.48Å; L177-L181 PolarHBondContact O-N 3.37Å; S178-L181 PolarHBondContact O-N 3.47Å; N179-L181 VanDerWaalsContact C-N 3.34Å; N179-L181 PolarHBondContact O-N 3.49Å; L181-H183 PolarHBondContact O-N 3.38Å; L181-H184 WeakPolarHBondContact O-CB 3.38Å; L181-H184 PolarHBondContact O-N 3.34Å; L181-H184 VanDerWaalsContact O-N 3.14Å; L181-I187 HydrophobicContact CD1-CD1 3.78Å; L181-I187 HydrophobicContact CD1-CG1 3.78Å; L181-I187 WeakPolarHBondContact O-CG1 3.19Å
182	M	98.3	Very high	97.5	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.025	23%	0.231	C	C	.	.	H	α-helix	trans	-62.4	-30.2	-179.4	-74.6	-170.2	-63.5	0	0	113.2	I110 S178 N179 I190 M198 A201 A202 S205 K207	I110-M182 HydrophobicContact CD1-CG 4.37Å; I110-M182 HydrophobicContact CD1-SD 4.3Å; S178-M182 WeakPolarHBondContact O-CB 3.28Å; S178-M182 WeakPolarHBondContact O-CG 3.31Å; S178-M182 PolarHBondContact O-N 3.07Å; N179-M182 PolarHBondContact O-N 3.2Å; M182-I190 HydrophobicContact CB-CD1 3.66Å; M182-I190 HydrophobicContact CB-CG1 4.48Å; M182-I190 HydrophobicContact CG-CD1 3.72Å; M182-I190 HydrophobicContact CG-CG1 4.26Å; M182-I190 HydrophobicContact CG-CG2 4.4Å; M182-I190 HydrophobicContact SD-CD1 4.2Å; M182-I190 HydrophobicContact SD-CG2 4.43Å; M182-M198 HydrophobicContact CE-SD 4.38Å; M182-M198 HydrophobicContact SD-SD 4.23Å; M182-A201 HydrophobicContact CE-CB 4.1Å; M182-A202 HydrophobicContact SD-CB 4.26Å; M182-S205 WeakPolarHBondContact O-CB 3.47Å; M182-S205 PolarHBondContact O-OG 3.26Å; M182-K207 WeakPolarHBondContact O-CG 3.47Å
183	H	98.3	Very high	97.4	Very high	86 Å²	86	37.5 Å²	37.5	40%	0.398	21%	0.212	S	C	.	.	H	α-helix	trans	-95	-4.8	177.8	-67.6	80.2	0	0	0	113.3	N179 A180 L181 S205	N179-H183 PolarHBondContact O-N 3.03Å; N179-H183 VanDerWaalsContact O-N 3.08Å; N179-H183 PolarHBondContact O-ND1 3.44Å; N179-H183 PolarHBondContact OD1-CE1 3.34Å; N179-H183 PolarHBondContact OD1-ND1 2.8Å; A180-H183 PolarHBondContact O-N 3.45Å; L181-H183 PolarHBondContact O-N 3.38Å; H183-S205 PolarHBondContact CD2-O 3.12Å; H183-S205 WeakPolarHBondContact NE2-CA 3.17Å
184	H	98.6	Very high	96.9	Very high	21 Å²	21	38 Å²	38	10%	0.097	22%	0.219	C	C	.	.			trans	-60	133.2	-174.3	-169.2	-80.4	0	0	0	110.5	N10 V13 A180 L181 D186 I187 K207	N10-H184 PolarHBondContact OD1-CD2 3.06Å; N10-H184 PolarHBondContact OD1-NE2 3.38Å; V13-H184 VanDerWaalsContact CG1-CE1 3.45Å; V13-H184 WeakPolarHBondContact CG1-CE1 3.08Å; A180-H184 WeakPolarHBondContact O-CB 3.39Å; A180-H184 PolarHBondContact O-N 3.11Å; L181-H184 WeakPolarHBondContact O-CB 3.38Å; L181-H184 PolarHBondContact O-N 3.34Å; L181-H184 VanDerWaalsContact O-N 3.14Å; H184-D186 VanDerWaalsContact C-N 3.26Å; H184-D186 IonicContact CE1-OD2 3.72Å; H184-D186 PolarHBondContact ND1-N 3.47Å; H184-D186 VanDerWaalsContact ND1-N 3.16Å; H184-D186 PolarHBondContact O-N 3.28Å; H184-I187 HydrophobicContact CB-CG1 4.05Å; H184-I187 PolarHBondContact O-N 3.15Å; H184-I187 VanDerWaalsContact O-N 3.08Å; H184-K207 WeakPolarHBondContact O-CE 3.18Å; H184-K207 PolarHBondContact O-NZ 3.45Å; H184-K207 VanDerWaalsContact O-NZ 3.16Å
185	P	98.2	Very high	96.2	Very high	97 Å²	97	37.8 Å²	37.8	63%	0.63	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-37.4	-174.2	20.2	-32.8	0	0	0	113.1	I187 K207	P185-I187 VanDerWaalsContact C-N 3.35Å; P185-I187 PolarHBondContact O-N 2.95Å; P185-K207 PolarHBondContact O-NZ 3.3Å
186	D	98.5	Very high	95.9	Very high	42 Å²	42	36 Å²	36	23%	0.225	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-2.6	-179.6	-67.8	-37	0	0	0	115.5	V13 K17 H184 N188	V13-D186 HydrophobicContact CG1-CB 3.68Å; K17-D186 HydrophobicContact CD-CB 4.22Å; K17-D186 WeakPolarHBondContact CE-OD1 3.25Å; K17-D186 IonicContact NZ-OD1 2.95Å; K17-D186 PolarHBondContact NZ-OD1 3.1Å; K17-D186 IonicContact NZ-OD2 2.97Å; K17-D186 PolarHBondContact NZ-OD2 2.84Å; H184-D186 VanDerWaalsContact C-N 3.26Å; H184-D186 IonicContact CE1-OD2 3.72Å; H184-D186 PolarHBondContact ND1-N 3.47Å; H184-D186 VanDerWaalsContact ND1-N 3.16Å; H184-D186 PolarHBondContact O-N 3.28Å; D186-N188 PolarHBondContact O-OD1 2.84Å
187	I	98.6	Very high	95.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	21%	0.21	C	C	.	.			trans	-80.4	131.9	167.5	-67.5	-61.2	0	0	0	109.1	I106 C108 I135 L181 H184 P185 I190 K207	I106-I187 HydrophobicContact CB-CD1 4.04Å; I106-I187 HydrophobicContact CG2-CD1 3.59Å; C108-I187 HydrophobicContact CB-CG2 3.99Å; I135-I187 HydrophobicContact CD1-CD1 4.41Å; L181-I187 HydrophobicContact CD1-CD1 3.78Å; L181-I187 HydrophobicContact CD1-CG1 3.78Å; L181-I187 WeakPolarHBondContact O-CG1 3.19Å; H184-I187 HydrophobicContact CB-CG1 4.05Å; H184-I187 PolarHBondContact O-N 3.15Å; H184-I187 VanDerWaalsContact O-N 3.08Å; P185-I187 VanDerWaalsContact C-N 3.35Å; P185-I187 PolarHBondContact O-N 2.95Å; I187-I190 HydrophobicContact CG2-CG1 4.46Å; I187-K207 WeakPolarHBondContact O-CD 3.47Å; I187-K207 WeakPolarHBondContact O-CE 3.15Å; I187-K207 PolarHBondContact O-NZ 3.44Å
188	N	98.6	Very high	95.2	Very high	69 Å²	69	34.3 Å²	34.3	37%	0.369	22%	0.222	S	C	.	.			trans	-103.4	-27.6	-175.2	-55.3	105.3	0	0	0	112.8	I104 G105 I106 D186	I104-N188 WeakPolarHBondContact O-CB 3.39Å; G105-N188 WeakPolarHBondContact CA-OD1 3.37Å; I106-N188 PolarHBondContact N-OD1 3.35Å; I106-N188 PolarHBondContact O-N 3.42Å; D186-N188 PolarHBondContact O-OD1 2.84Å
189	L	98.7	Very high	95	Very high	6 Å²	6	33.8 Å²	33.8	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	143.7	-179.2	-178.4	72.8	0	0	0	110.8	I104 I106 I107 C108 P208 I210 L438	I104-L189 HydrophobicContact CD1-CB 3.96Å; I104-L189 HydrophobicContact CD1-CD1 4.2Å; I104-L189 HydrophobicContact CD1-CD2 4.02Å; I104-L189 HydrophobicContact CD1-CG 4.27Å; I104-L189 HydrophobicContact CG2-CB 4.15Å; I104-L189 HydrophobicContact CG2-CD2 4.38Å; I106-L189 PolarHBondContact O-N 2.98Å; I107-L189 CarbonylContact C-O 3.56Å; I107-L189 VanDerWaalsContact CA-O 3.31Å; I107-L189 WeakPolarHBondContact CA-O 3.4Å; I107-L189 HydrophobicContact CG1-CB 4.36Å; I107-L189 HydrophobicContact CG1-CD2 4.36Å; C108-L189 PolarHBondContact N-O 3.21Å; L189-P208 HydrophobicContact CD1-CB 3.98Å; L189-I210 HydrophobicContact CD1-CD1 4.45Å; L189-I210 HydrophobicContact CD1-CG1 4.23Å; L189-I210 HydrophobicContact CD2-CD1 4.04Å; L189-L438 HydrophobicContact CD2-CD2 3.5Å; L189-L438 VanDerWaalsContact CD2-CD2 3.5Å
190	I	98.6	Very high	94.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	125.3	168.5	-58.3	165.1	0	0	0	109.4	C108 I110 M182 I187 A192 A202 S205 K207 P208 A209 I210	C108-I190 HydrophobicContact CB-CB 4.45Å; C108-I190 HydrophobicContact CB-CG1 4.06Å; C108-I190 HydrophobicContact CB-CG2 4.36Å; I110-I190 HydrophobicContact CG1-CG2 4.31Å; M182-I190 HydrophobicContact CB-CD1 3.66Å; M182-I190 HydrophobicContact CB-CG1 4.48Å; M182-I190 HydrophobicContact CG-CD1 3.72Å; M182-I190 HydrophobicContact CG-CG1 4.26Å; M182-I190 HydrophobicContact CG-CG2 4.4Å; M182-I190 HydrophobicContact SD-CD1 4.2Å; M182-I190 HydrophobicContact SD-CG2 4.43Å; I187-I190 HydrophobicContact CG2-CG1 4.46Å; I190-A192 HydrophobicContact CG2-CB 3.97Å; I190-A202 HydrophobicContact CB-CB 4.44Å; I190-A202 HydrophobicContact CD1-CB 4.43Å; I190-A202 HydrophobicContact CG2-CB 3.79Å; I190-S205 WeakPolarHBondContact CD1-OG 3.23Å; I190-K207 HydrophobicContact CD1-CB 4.02Å; I190-K207 HydrophobicContact CG1-CB 4.29Å; I190-P208 PolarHBondContact N-O 3.37Å; I190-A209 HydrophobicContact CB-CB 4.14Å; I190-A209 CarbonylContact O-C 3.55Å; I190-A209 VanDerWaalsContact O-CA 3.29Å; I190-A209 WeakPolarHBondContact O-CA 3.05Å; I190-I210 PolarHBondContact O-N 2.99Å
191	L	98.3	Very high	94.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	91.5	171.6	-172.2	59	0	0	0	108.4	I107 C108 I110 K123 I126 I210 T418 V433	I107-L191 HydrophobicContact CG2-CB 3.69Å; C108-L191 PolarHBondContact O-N 3.23Å; I110-L191 PolarHBondContact N-O 3.37Å; K123-L191 HydrophobicContact CB-CD2 4.27Å; K123-L191 HydrophobicContact CD-CD2 3.71Å; K123-L191 HydrophobicContact CD-CG 3.97Å; K123-L191 HydrophobicContact CG-CD2 3.63Å; K123-L191 HydrophobicContact CG-CG 4.38Å; K123-L191 PolarHBondContact NZ-O 3.33Å; I126-L191 HydrophobicContact CD1-CD2 4.36Å; L191-I210 HydrophobicContact CD1-CB 3.7Å; L191-I210 HydrophobicContact CD1-CG2 3.57Å; L191-T418 HydrophobicContact CD1-CG2 3.97Å; L191-V433 HydrophobicContact CD1-CG1 4.05Å
192	A	96.9	Very high	94.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	114.2	-168	0	0	0	0	0	112.6	I110 I190 A202 I210 G211 V212	I110-A192 HydrophobicContact CB-CB 4.31Å; I110-A192 HydrophobicContact CG1-CB 4.02Å; I190-A192 HydrophobicContact CG2-CB 3.97Å; A192-A202 HydrophobicContact CB-CB 3.65Å; A192-I210 PolarHBondContact N-O 3.25Å; A192-G211 CarbonylContact O-C 3.48Å; A192-G211 WeakPolarHBondContact O-CA 3.37Å; A192-V212 PolarHBondContact O-N 2.76Å; A192-V212 VanDerWaalsContact O-N 3.09Å
193	T	95.6	Very high	94.6	Very high	13 Å²	13	40.6 Å²	40.6	8%	0.08	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	107.9	171.4	-50.5	0	0	0	0	109.1	I110 P112 K123 V212 T418	I110-T193 PolarHBondContact O-N 3.35Å; P112-T193 WeakPolarHBondContact CD-O 3.3Å; P112-T193 HydrophobicContact CG-CG2 3.99Å; K123-T193 VanDerWaalsContact CE-OG1 3.24Å; K123-T193 WeakPolarHBondContact CE-OG1 3.49Å; K123-T193 PolarHBondContact NZ-OG1 2.86Å; T193-V212 HydrophobicContact CG2-CG2 3.77Å; T193-T418 PolarHBondContact OG1-OG1 2.82Å; T193-T418 VanDerWaalsContact OG1-OG1 3.05Å
194	G	86.3	Confident	94.6	Very high	22 Å²	22	39.8 Å²	39.8	23%	0.227	25%	0.248	C	C	.	.	S	Bend	trans	-178.1	-174.3	-177.3	0	0	0	0	0	111
195	G	81.5	Confident	94.5	Very high	40 Å²	40	39.2 Å²	39.2	41%	0.412	25%	0.246	S	C	.	.			trans	-66.5	173.9	178.2	0	0	0	0	0	113.6	G197 M198 V199	G195-G197 VanDerWaalsContact C-N 3.27Å; G195-G197 PolarHBondContact O-N 3.37Å; G195-G197 VanDerWaalsContact O-N 3.16Å; G195-M198 WeakPolarHBondContact O-CB 3.31Å; G195-M198 PolarHBondContact O-N 3.48Å; G195-V199 PolarHBondContact O-N 2.85Å
196	P	85.8	Confident	94.4	Very high	92 Å²	92	38.1 Å²	38.1	60%	0.597	25%	0.252	S	S	*	.	H	α-helix	trans	-55.7	-37.5	-174.2	20.3	-32.7	0	0	0	113.7	M198 V199 K200	P196-M198 VanDerWaalsContact C-N 3.31Å; P196-M198 PolarHBondContact O-N 2.77Å; P196-V199 PolarHBondContact O-N 3.47Å; P196-K200 WeakPolarHBondContact O-CB 3.2Å; P196-K200 PolarHBondContact O-N 3.25Å
197	G	89.5	Confident	94.4	Very high	55 Å²	55	38.3 Å²	38.3	57%	0.567	25%	0.251	S	S	*	.	H	α-helix	trans	-62.1	-35.9	176.5	0	0	0	0	0	113.6	G195 A201	G195-G197 VanDerWaalsContact C-N 3.27Å; G195-G197 PolarHBondContact O-N 3.37Å; G195-G197 VanDerWaalsContact O-N 3.16Å; G197-A201 WeakPolarHBondContact O-CB 3.08Å; G197-A201 PolarHBondContact O-N 2.96Å
198	M	90.2	Very high	94.4	Very high	53 Å²	53	42.4 Å²	42.4	26%	0.261	28%	0.278	S	S	.	.	H	α-helix	trans	-72.5	-42.9	178.7	178.7	54.5	68.3	0	0	111.7	I110 M182 G195 P196 K200 A201 A202	I110-M198 HydrophobicContact CB-CG 4.38Å; I110-M198 HydrophobicContact CB-SD 4.4Å; I110-M198 HydrophobicContact CD1-SD 4.27Å; I110-M198 HydrophobicContact CG1-CG 4.41Å; I110-M198 HydrophobicContact CG1-SD 3.94Å; I110-M198 HydrophobicContact CG2-CE 3.95Å; I110-M198 HydrophobicContact CG2-CG 3.74Å; I110-M198 HydrophobicContact CG2-SD 3.8Å; M182-M198 HydrophobicContact CE-SD 4.38Å; M182-M198 HydrophobicContact SD-SD 4.23Å; G195-M198 WeakPolarHBondContact O-CB 3.31Å; G195-M198 PolarHBondContact O-N 3.48Å; P196-M198 VanDerWaalsContact C-N 3.31Å; P196-M198 PolarHBondContact O-N 2.77Å; M198-K200 VanDerWaalsContact C-N 3.3Å; M198-K200 PolarHBondContact O-N 2.91Å; M198-A201 PolarHBondContact O-N 2.83Å; M198-A202 WeakPolarHBondContact O-CB 3.4Å; M198-A202 PolarHBondContact O-N 2.88Å
199	V	91.9	Very high	94.3	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.03	26%	0.263	C	S	.	.	H	α-helix	trans	-60.1	-45.5	174.5	176.9	0	0	0	0	110.4	G195 P196 A201 A202 Y203 V212 N427	G195-V199 PolarHBondContact O-N 2.85Å; P196-V199 PolarHBondContact O-N 3.47Å; V199-A201 VanDerWaalsContact C-N 3.31Å; V199-A201 PolarHBondContact O-N 2.81Å; V199-A202 PolarHBondContact O-N 3.47Å; V199-Y203 HydrophobicContact CG1-CD2 3.76Å; V199-Y203 HydrophobicContact CG1-CE2 3.8Å; V199-Y203 WeakPolarHBondContact O-CD2 3.42Å; V199-Y203 PolarHBondContact O-N 3.49Å; V199-V212 WeakPolarHBondContact CG2-O 3.31Å; V199-N427 HydrophobicContact CG1-CB 4.45Å
200	K	94.6	Very high	94.3	Very high	145 Å²	145	39.8 Å²	39.8	63%	0.63	27%	0.265	S	S	*	.	H	α-helix	trans	-59.1	-44.2	177.1	-176.1	60	177.3	173.4	0	111.4	P196 M198 S204	P196-K200 WeakPolarHBondContact O-CB 3.2Å; P196-K200 PolarHBondContact O-N 3.25Å; M198-K200 VanDerWaalsContact C-N 3.3Å; M198-K200 PolarHBondContact O-N 2.91Å; K200-S204 VanDerWaalsContact O-CB 3.28Å; K200-S204 WeakPolarHBondContact O-CB 3.37Å; K200-S204 PolarHBondContact O-N 3.4Å; K200-S204 PolarHBondContact O-OG 3.4Å
201	A	95.7	Very high	94	Very high	34 Å²	34	39.8 Å²	39.8	28%	0.281	27%	0.265	S	S	.	.	H	α-helix	trans	-63.3	-42.6	176	0	0	0	0	0	112.4	M182 G197 M198 V199 Y203 S204 S205	M182-A201 HydrophobicContact CE-CB 4.1Å; G197-A201 WeakPolarHBondContact O-CB 3.08Å; G197-A201 PolarHBondContact O-N 2.96Å; M198-A201 PolarHBondContact O-N 2.83Å; V199-A201 VanDerWaalsContact C-N 3.31Å; V199-A201 PolarHBondContact O-N 2.81Å; A201-Y203 PolarHBondContact O-N 3.05Å; A201-S204 CarbonylContact O-C 3.59Å; A201-S204 PolarHBondContact O-N 3.08Å; A201-S204 VanDerWaalsContact O-N 3.1Å; A201-S205 PolarHBondContact O-N 3.35Å; A201-S205 VanDerWaalsContact O-N 3.15Å
202	A	96.7	Very high	93.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.9	-47.4	178	0	0	0	0	0	112.3	M182 I190 A192 M198 V199 S204 S205 A209	M182-A202 HydrophobicContact SD-CB 4.26Å; I190-A202 HydrophobicContact CB-CB 4.44Å; I190-A202 HydrophobicContact CD1-CB 4.43Å; I190-A202 HydrophobicContact CG2-CB 3.79Å; A192-A202 HydrophobicContact CB-CB 3.65Å; M198-A202 WeakPolarHBondContact O-CB 3.4Å; M198-A202 PolarHBondContact O-N 2.88Å; V199-A202 PolarHBondContact O-N 3.47Å; A202-S204 VanDerWaalsContact C-N 3.25Å; A202-S204 PolarHBondContact O-N 2.84Å; A202-S205 PolarHBondContact O-N 2.95Å; A202-S205 PolarHBondContact O-OG 3.22Å; A202-S205 VanDerWaalsContact O-OG 3.08Å; A202-A209 HydrophobicContact CB-CB 3.98Å
203	Y	96.7	Very high	93.1	Very high	72 Å²	72	40.8 Å²	40.8	28%	0.282	27%	0.274	S	S	.	.	H	α-helix	trans	-72	-18.6	175.8	-77.9	-77.7	0	0	0	113.6	V199 A201 A209 G211 N427 S428	V199-Y203 HydrophobicContact CG1-CD2 3.76Å; V199-Y203 HydrophobicContact CG1-CE2 3.8Å; V199-Y203 WeakPolarHBondContact O-CD2 3.42Å; V199-Y203 PolarHBondContact O-N 3.49Å; A201-Y203 PolarHBondContact O-N 3.05Å; Y203-A209 HydrophobicContact CD1-CB 3.88Å; Y203-A209 HydrophobicContact CD2-CB 4.19Å; Y203-A209 HydrophobicContact CE1-CB 3.86Å; Y203-A209 WeakPolarHBondContact CE1-O 3.26Å; Y203-A209 HydrophobicContact CE2-CB 4.17Å; Y203-A209 HydrophobicContact CG-CB 4.04Å; Y203-A209 PolarHBondContact OH-O 3.34Å; Y203-G211 PolarHBondContact OH-N 2.98Å; Y203-N427 HydrophobicContact CE2-CB 3.74Å; Y203-S428 PolarHBondContact OH-N 3.25Å; Y203-S428 PolarHBondContact OH-OG 3.26Å
204	S	96.8	Very high	92.7	Very high	70 Å²	70	41.3 Å²	41.3	49%	0.49	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-0.8	177.6	-52.9	0	0	0	0	113	K200 A201 A202 G206	K200-S204 VanDerWaalsContact O-CB 3.28Å; K200-S204 WeakPolarHBondContact O-CB 3.37Å; K200-S204 PolarHBondContact O-N 3.4Å; K200-S204 PolarHBondContact O-OG 3.4Å; A201-S204 CarbonylContact O-C 3.59Å; A201-S204 PolarHBondContact O-N 3.08Å; A201-S204 VanDerWaalsContact O-N 3.1Å; A202-S204 VanDerWaalsContact C-N 3.25Å; A202-S204 PolarHBondContact O-N 2.84Å; S204-G206 VanDerWaalsContact C-N 3.28Å; S204-G206 PolarHBondContact O-N 2.88Å
205	S	97	Very high	92.6	Very high	8 Å²	8	40.2 Å²	40.2	6%	0.056	27%	0.268	C	S	.	.	S	Bend	trans	-78.7	-8	-172.7	79	0	0	0	0	115.2	M182 H183 I190 A201 A202 K207	M182-S205 WeakPolarHBondContact O-CB 3.47Å; M182-S205 PolarHBondContact O-OG 3.26Å; H183-S205 PolarHBondContact CD2-O 3.12Å; H183-S205 WeakPolarHBondContact NE2-CA 3.17Å; I190-S205 WeakPolarHBondContact CD1-OG 3.23Å; A201-S205 PolarHBondContact O-N 3.35Å; A201-S205 VanDerWaalsContact O-N 3.15Å; A202-S205 PolarHBondContact O-N 2.95Å; A202-S205 PolarHBondContact O-OG 3.22Å; A202-S205 VanDerWaalsContact O-OG 3.08Å; S205-K207 VanDerWaalsContact C-N 3.27Å; S205-K207 WeakPolarHBondContact OG-CB 3.26Å; S205-K207 PolarHBondContact OG-N 3.5Å; S205-K207 VanDerWaalsContact OG-N 3.13Å
206	G	96.7	Very high	93.3	Very high	74 Å²	74	38.4 Å²	38.4	76%	0.763	25%	0.249	S	C	*	.	S	Bend	trans	80	2.5	-169	0	0	0	0	0	114.3	S204	S204-G206 VanDerWaalsContact C-N 3.28Å; S204-G206 PolarHBondContact O-N 2.88Å
207	K	97.9	Very high	93.9	Very high	46 Å²	46	34 Å²	34	20%	0.2	22%	0.22	C	C	.	.	S	Bend	trans	-105.9	150.1	173.2	-54.6	-58.5	-175.1	158	0	111	M182 H184 P185 I187 I190 S205 A209	M182-K207 WeakPolarHBondContact O-CG 3.47Å; H184-K207 WeakPolarHBondContact O-CE 3.18Å; H184-K207 PolarHBondContact O-NZ 3.45Å; H184-K207 VanDerWaalsContact O-NZ 3.16Å; P185-K207 PolarHBondContact O-NZ 3.3Å; I187-K207 WeakPolarHBondContact O-CD 3.47Å; I187-K207 WeakPolarHBondContact O-CE 3.15Å; I187-K207 PolarHBondContact O-NZ 3.44Å; I190-K207 HydrophobicContact CD1-CB 4.02Å; I190-K207 HydrophobicContact CG1-CB 4.29Å; S205-K207 VanDerWaalsContact C-N 3.27Å; S205-K207 WeakPolarHBondContact OG-CB 3.26Å; S205-K207 PolarHBondContact OG-N 3.5Å; S205-K207 VanDerWaalsContact OG-N 3.13Å; K207-A209 PolarHBondContact O-N 3.26Å
208	P	97.9	Very high	94.3	Very high	87 Å²	87	31.4 Å²	31.4	57%	0.565	19%	0.193	S	C	*	.			trans	-53.6	137.9	163.8	-23.2	34.1	0	0	0	110	L189 I190	L189-P208 HydrophobicContact CD1-CB 3.98Å; I190-P208 PolarHBondContact N-O 3.37Å
209	A	97.7	Very high	94.7	Very high	6 Å²	6	28.9 Å²	28.9	5%	0.05	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	146.8	178.3	0	0	0	0	0	110.7	I190 A202 Y203 K207 S428	I190-A209 HydrophobicContact CB-CB 4.14Å; I190-A209 CarbonylContact O-C 3.55Å; I190-A209 VanDerWaalsContact O-CA 3.29Å; I190-A209 WeakPolarHBondContact O-CA 3.05Å; A202-A209 HydrophobicContact CB-CB 3.98Å; Y203-A209 HydrophobicContact CD1-CB 3.88Å; Y203-A209 HydrophobicContact CD2-CB 4.19Å; Y203-A209 HydrophobicContact CE1-CB 3.86Å; Y203-A209 WeakPolarHBondContact CE1-O 3.26Å; Y203-A209 HydrophobicContact CE2-CB 4.17Å; Y203-A209 HydrophobicContact CG-CB 4.04Å; Y203-A209 PolarHBondContact OH-O 3.34Å; K207-A209 PolarHBondContact O-N 3.26Å; A209-S428 PolarHBondContact O-OG 2.79Å
210	I	97.3	Very high	95	Very high	14 Å²	14	28.6 Å²	28.6	7%	0.072	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	87.1	163.1	-63.7	176.3	0	0	0	104.7	L189 I190 L191 A192 I429 V433 H437 L438	L189-I210 HydrophobicContact CD1-CD1 4.45Å; L189-I210 HydrophobicContact CD1-CG1 4.23Å; L189-I210 HydrophobicContact CD2-CD1 4.04Å; I190-I210 PolarHBondContact O-N 2.99Å; L191-I210 HydrophobicContact CD1-CB 3.7Å; L191-I210 HydrophobicContact CD1-CG2 3.57Å; A192-I210 PolarHBondContact N-O 3.25Å; I210-I429 HydrophobicContact CG2-CB 4.48Å; I210-I429 HydrophobicContact CG2-CG2 3.73Å; I210-V433 HydrophobicContact CG2-CG1 4.25Å; I210-V433 HydrophobicContact CG2-CG2 3.44Å; I210-V433 VanDerWaalsContact CG2-CG2 3.44Å; I210-H437 HydrophobicContact CD1-CB 3.73Å; I210-L438 HydrophobicContact CD1-CD2 4.18Å
211	G	92.7	Very high	95.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	158.4	175.3	0	0	0	0	0	111.9	A192 Y203 N427	A192-G211 CarbonylContact O-C 3.48Å; A192-G211 WeakPolarHBondContact O-CA 3.37Å; Y203-G211 PolarHBondContact OH-N 2.98Å; G211-N427 WeakPolarHBondContact O-CB 3.3Å; G211-N427 VanDerWaalsContact O-CG 3.27Å
212	V	92.2	Very high	95.3	Very high	8 Å²	8	20.1 Å²	20.1	5%	0.048	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	137.6	174.3	-61	0	0	0	0	111.3	A192 T193 V199 T418 L419	A192-V212 PolarHBondContact O-N 2.76Å; A192-V212 VanDerWaalsContact O-N 3.09Å; T193-V212 HydrophobicContact CG2-CG2 3.77Å; V199-V212 WeakPolarHBondContact CG2-O 3.31Å; V212-T418 HydrophobicContact CB-CG2 4.38Å; V212-T418 HydrophobicContact CG1-CG2 3.33Å; V212-T418 HydrophobicContact CG2-CG2 4.08Å; V212-L419 WeakPolarHBondContact CB-O 3.25Å; V212-L419 VanDerWaalsContact CG1-C 3.44Å; V212-L419 VanDerWaalsContact CG1-O 3.25Å; V212-L419 WeakPolarHBondContact CG1-O 3.36Å
213	G	85	Confident	95.4	Very high	13 Å²	13	24 Å²	24	13%	0.134	15%	0.154	C	C	.	.			trans	-86.3	178.6	-174.2	0	0	0	0	0	114.4	H367 C421	G213-H367 PolarHBondContact O-CD2 2.81Å; G213-C421 PolarHBondContact N-SG 3.16Å; G213-C421 VanDerWaalsContact N-SG 3.36Å
214	A	86.5	Confident	95.5	Very high	23 Å²	23	22.7 Å²	22.7	19%	0.19	15%	0.154	C	C	.	.			trans	-71.7	157.3	171.1	0	0	0	0	0	111.7	E335	A214-E335 WeakPolarHBondContact CB-OE2 3.19Å
215	G	85.4	Confident	95.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	14%	0.135	C	C	.	.			trans	-113.5	138	178.2	0	0	0	0	0	111.9	E335	G215-E335 PolarHBondContact N-OE1 2.89Å; G215-E335 WeakPolarHBondContact O-CB 3.38Å; G215-E335 WeakPolarHBondContact O-CG 3.42Å; G215-E335 VanDerWaalsContact O-OE1 3.05Å
216	N	94.7	Very high	95.6	Very high	1 Å²	1	23 Å²	23	1%	0.005	15%	0.151	C	C	.	.			trans	-129.5	56.5	167.9	-170.1	27.2	0	0	0	109.3	P218 Q250 A333 H334 L359	N216-P218 WeakPolarHBondContact O-CD 3.29Å; N216-P218 VanDerWaalsContact O-N 3.09Å; N216-Q250 WeakPolarHBondContact OD1-CB 3.49Å; N216-A333 PolarHBondContact ND2-O 2.85Å; N216-A333 PolarHBondContact OD1-O 3.21Å; N216-H334 PolarHBondContact OD1-O 3.36Å; N216-L359 PolarHBondContact ND2-O 2.92Å
217	T	98.1	Very high	95.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	109.8	-166.2	-54.5	0	0	0	0	111.7	A247 Q250 T368 A400	T217-A247 VanDerWaalsContact CB-O 3.27Å; T217-A247 WeakPolarHBondContact CB-O 3.41Å; T217-A247 WeakPolarHBondContact CG2-O 3.43Å; T217-A247 PolarHBondContact OG1-O 3.19Å; T217-Q250 PolarHBondContact O-N 2.87Å; T217-T368 WeakPolarHBondContact CA-O 3.38Å; T217-T368 HydrophobicContact CG2-CG2 4.02Å; T217-A400 HydrophobicContact CG2-CB 3.9Å
218	P	98.2	Very high	95.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	145.1	169.9	36	-32.3	0	0	0	109.5	N216 A356 V360 C370 M389	N216-P218 WeakPolarHBondContact O-CD 3.29Å; N216-P218 VanDerWaalsContact O-N 3.09Å; P218-A356 HydrophobicContact CB-CB 3.81Å; P218-A356 HydrophobicContact CG-CB 3.89Å; P218-V360 HydrophobicContact CG-CB 4.22Å; P218-C370 PolarHBondContact O-N 3.26Å; P218-M389 HydrophobicContact CG-CE 3.66Å
219	V	98.7	Very high	95.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	122.5	169.3	58	0	0	0	0	110.3	I221 V234 E249 S251 V252 V253 C370 Y372	V219-I221 HydrophobicContact CG2-CG1 4.36Å; V219-V234 HydrophobicContact CG1-CG2 4.15Å; V219-E249 HydrophobicContact CB-CG 4.02Å; V219-E249 HydrophobicContact CG1-CB 4.21Å; V219-E249 HydrophobicContact CG1-CG 3.8Å; V219-S251 VanDerWaalsContact CG1-O 3.29Å; V219-S251 WeakPolarHBondContact CG1-O 3.45Å; V219-S251 PolarHBondContact N-O 3.06Å; V219-V252 HydrophobicContact CG1-CB 3.89Å; V219-V252 HydrophobicContact CG1-CG1 3.24Å; V219-V252 CarbonylContact O-C 3.59Å; V219-V252 WeakPolarHBondContact O-CA 3.27Å; V219-V253 PolarHBondContact O-N 2.87Å; V219-C370 CarbonylContact C-O 3.47Å; V219-C370 VanDerWaalsContact CA-O 3.32Å; V219-C370 WeakPolarHBondContact CA-O 3.24Å; V219-C370 HydrophobicContact CB-CB 3.78Å; V219-C370 HydrophobicContact CG2-CB 3.69Å; V219-Y372 HydrophobicContact CG2-CD2 3.43Å; V219-Y372 VanDerWaalsContact CG2-CD2 3.43Å; V219-Y372 HydrophobicContact CG2-CE2 3.69Å
220	V	98.8	Very high	95.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	133.2	171.3	173	0	0	0	0	108.7	V253 F349 A352 V353 A356 C370 L371 Y372 F385	V220-V253 WeakPolarHBondContact CA-O 3.22Å; V220-V253 HydrophobicContact CG2-CB 4.34Å; V220-F349 HydrophobicContact CG1-CD2 4.1Å; V220-F349 HydrophobicContact CG1-CE2 4.19Å; V220-A352 HydrophobicContact CG1-CB 3.78Å; V220-A352 HydrophobicContact CG2-CB 4.16Å; V220-V353 HydrophobicContact CG2-CG2 4.5Å; V220-A356 HydrophobicContact CG2-CB 3.88Å; V220-C370 PolarHBondContact N-O 2.88Å; V220-L371 HydrophobicContact CB-CD1 3.89Å; V220-L371 HydrophobicContact CG1-CD1 3.79Å; V220-L371 CarbonylContact O-C 3.25Å; V220-L371 WeakPolarHBondContact O-CA 3.43Å; V220-Y372 PolarHBondContact O-N 3.34Å; V220-F385 HydrophobicContact CB-CE2 4.05Å; V220-F385 HydrophobicContact CG2-CE2 3.73Å
221	I	98.8	Very high	95.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	109.2	171.6	-55.3	177	0	0	0	106.7	V219 A225 A230 V252 V253 V254 V255 V262 Y372	V219-I221 HydrophobicContact CG2-CG1 4.36Å; I221-A225 HydrophobicContact CG2-CB 3.81Å; I221-A230 HydrophobicContact CD1-CB 4.03Å; I221-A230 HydrophobicContact CG1-CB 4.38Å; I221-A230 HydrophobicContact CG2-CB 4.28Å; I221-V252 HydrophobicContact CD1-CG1 4.36Å; I221-V253 PolarHBondContact N-O 2.92Å; I221-V254 HydrophobicContact CB-CG1 4.42Å; I221-V254 HydrophobicContact CB-CG2 4.34Å; I221-V254 HydrophobicContact CD1-CG2 4.27Å; I221-V255 PolarHBondContact O-N 3.1Å; I221-V262 HydrophobicContact CD1-CG1 4.39Å; I221-V262 HydrophobicContact CG2-CG2 4.38Å; I221-Y372 HydrophobicContact CG1-CD2 4.5Å
222	D	98.6	Very high	96.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.			trans	-91.8	175.8	-178.9	87.2	4	0	0	0	112.5	T224 A225 F349 Y372 T373 R381	D222-T224 PolarHBondContact O-N 3.09Å; D222-T224 WeakPolarHBondContact OD1-CA 3.31Å; D222-T224 WeakPolarHBondContact OD1-CB 3.26Å; D222-T224 PolarHBondContact OD1-N 3.28Å; D222-T224 PolarHBondContact OD1-OG1 2.92Å; D222-T224 PolarHBondContact OD2-OG1 3.39Å; D222-A225 VanDerWaalsContact O-CB 3.29Å; D222-A225 WeakPolarHBondContact O-CB 3.43Å; D222-A225 PolarHBondContact O-N 3.31Å; D222-A225 PolarHBondContact OD1-N 3.37Å; D222-A225 VanDerWaalsContact OD1-N 3.11Å; D222-F349 HydrophobicContact CB-CD2 3.97Å; D222-Y372 PolarHBondContact N-O 2.9Å; D222-Y372 VanDerWaalsContact N-O 3.11Å; D222-T373 WeakPolarHBondContact OD1-CA 3.45Å; D222-T373 WeakPolarHBondContact OD2-CB 3.08Å; D222-T373 PolarHBondContact OD2-OG1 2.91Å; D222-R381 IonicContact OD1-NH1 3.57Å; D222-R381 WeakPolarHBondContact OD2-CD 3.43Å; D222-R381 IonicContact OD2-CZ 3.64Å; D222-R381 IonicContact OD2-NE 3.42Å; D222-R381 IonicContact OD2-NH1 3.65Å; D222-R381 PolarHBondContact OD2-NH1 3.37Å
223	E	98.4	Very high	96.5	Very high	81 Å²	81	29.4 Å²	29.4	38%	0.379	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-14.2	-175.8	70.3	-89.3	-148.2	0	0	114.3	V255 S257 R381	E223-V255 HydrophobicContact CB-CG2 4.05Å; E223-S257 WeakPolarHBondContact CB-OG 3.2Å; E223-R381 IonicContact OE1-CZ 3.61Å; E223-R381 IonicContact OE1-NH1 2.67Å; E223-R381 PolarHBondContact OE1-NH1 2.89Å; E223-R381 IonicContact OE1-NH2 2.72Å; E223-R381 PolarHBondContact OE1-NH2 2.79Å; E223-R381 IonicContact OE2-CZ 3.78Å; E223-R381 IonicContact OE2-NH1 2.66Å; E223-R381 PolarHBondContact OE2-NH1 3.28Å; E223-R381 IonicContact OE2-NH2 3.45Å
224	T	98.2	Very high	97.1	Very high	45 Å²	45	28.8 Å²	28.8	28%	0.276	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-5.8	179.7	71.7	0	0	0	0	112.5	D222 T373 D374 Q378	D222-T224 PolarHBondContact O-N 3.09Å; D222-T224 WeakPolarHBondContact OD1-CA 3.31Å; D222-T224 WeakPolarHBondContact OD1-CB 3.26Å; D222-T224 PolarHBondContact OD1-N 3.28Å; D222-T224 PolarHBondContact OD1-OG1 2.92Å; D222-T224 PolarHBondContact OD2-OG1 3.39Å; T224-T373 PolarHBondContact OG1-OG1 3.23Å; T224-T373 VanDerWaalsContact OG1-OG1 3.08Å; T224-D374 PolarHBondContact OG1-N 2.81Å; T224-Q378 HydrophobicContact CG2-CG 4.08Å
225	A	98.3	Very high	97.7	Very high	12 Å²	12	27.9 Å²	27.9	10%	0.099	14%	0.142	C	C	.	.	S	Bend	trans	-67.6	146.2	-178.9	0	0	0	0	0	113.3	I221 D222 I227 Y372	I221-A225 HydrophobicContact CG2-CB 3.81Å; D222-A225 VanDerWaalsContact O-CB 3.29Å; D222-A225 WeakPolarHBondContact O-CB 3.43Å; D222-A225 PolarHBondContact O-N 3.31Å; D222-A225 PolarHBondContact OD1-N 3.37Å; D222-A225 VanDerWaalsContact OD1-N 3.11Å; A225-I227 PolarHBondContact O-N 3.41Å; A225-Y372 WeakPolarHBondContact CB-O 3.44Å
226	D	98.5	Very high	98.3	Very high	72 Å²	72	31.8 Å²	31.8	39%	0.385	16%	0.161	S	C	.	.			trans	-70.9	92.9	161.4	178.8	-9.9	0	0	0	109.3	K228 R229 A230	D226-K228 PolarHBondContact O-N 2.97Å; D226-K228 VanDerWaalsContact O-N 3.11Å; D226-K228 WeakPolarHBondContact OD1-CB 3.33Å; D226-K228 PolarHBondContact OD1-N 2.9Å; D226-R229 HydrophobicContact CB-CB 4.12Å; D226-R229 PolarHBondContact O-N 2.77Å; D226-R229 VanDerWaalsContact O-N 3.13Å; D226-R229 PolarHBondContact OD1-N 3.05Å; D226-R229 VanDerWaalsContact OD1-N 3.17Å; D226-R229 IonicContact OD2-NE 3.02Å; D226-R229 IonicContact OD2-NH2 3.59Å; D226-A230 WeakPolarHBondContact O-CB 3.29Å; D226-A230 PolarHBondContact O-N 3.4Å
227	I	98.1	Very high	98.5	Very high	44 Å²	44	31.7 Å²	31.7	23%	0.226	16%	0.16	C	C	.	.	H	α-helix	trans	-56.9	-28.7	-177.9	66.8	170.9	0	0	0	113.1	A225 V231 V258 A261 V262	A225-I227 PolarHBondContact O-N 3.41Å; I227-V231 WeakPolarHBondContact O-CB 3.5Å; I227-V231 WeakPolarHBondContact O-CG2 3.34Å; I227-V231 PolarHBondContact O-N 2.97Å; I227-V231 VanDerWaalsContact O-N 3.15Å; I227-V258 HydrophobicContact CG2-CB 4.3Å; I227-A261 HydrophobicContact CD1-CB 3.81Å; I227-V262 HydrophobicContact CB-CG2 4.17Å; I227-V262 HydrophobicContact CG2-CG2 3.91Å
228	K	98.5	Very high	98.5	Very high	129 Å²	129	31.7 Å²	31.7	56%	0.561	16%	0.16	S	C	*	.	H	α-helix	trans	-71.1	-46.2	-179.2	-63.8	177.1	179.8	170.2	0	109.6	D226 A232	D226-K228 PolarHBondContact O-N 2.97Å; D226-K228 VanDerWaalsContact O-N 3.11Å; D226-K228 WeakPolarHBondContact OD1-CB 3.33Å; D226-K228 PolarHBondContact OD1-N 2.9Å; K228-A232 VanDerWaalsContact O-CB 3.32Å; K228-A232 WeakPolarHBondContact O-CB 3.26Å; K228-A232 PolarHBondContact O-N 2.8Å; K228-A232 VanDerWaalsContact O-N 3.16Å
229	R	98.4	Very high	98.5	Very high	133 Å²	133	33.3 Å²	33.3	50%	0.502	17%	0.17	S	C	.	.	H	α-helix	trans	-67.3	-46.2	176.1	-172.5	-175.6	-53.9	172.5	6.5	111.3	D226 V231 A232 S233	D226-R229 HydrophobicContact CB-CB 4.12Å; D226-R229 PolarHBondContact O-N 2.77Å; D226-R229 VanDerWaalsContact O-N 3.13Å; D226-R229 PolarHBondContact OD1-N 3.05Å; D226-R229 VanDerWaalsContact OD1-N 3.17Å; D226-R229 IonicContact OD2-NE 3.02Å; D226-R229 IonicContact OD2-NH2 3.59Å; R229-V231 PolarHBondContact O-N 2.94Å; R229-A232 PolarHBondContact O-N 3.27Å; R229-S233 VanDerWaalsContact O-CB 3.31Å; R229-S233 WeakPolarHBondContact O-CB 3.44Å; R229-S233 PolarHBondContact O-N 2.79Å; R229-S233 PolarHBondContact O-OG 3.18Å; R229-S233 VanDerWaalsContact O-OG 3.11Å
230	A	98.6	Very high	98.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-54.5	-52	-179.4	0	0	0	0	0	111.4	I221 D226 S233 V234 Y372	I221-A230 HydrophobicContact CD1-CB 4.03Å; I221-A230 HydrophobicContact CG1-CB 4.38Å; I221-A230 HydrophobicContact CG2-CB 4.28Å; D226-A230 WeakPolarHBondContact O-CB 3.29Å; D226-A230 PolarHBondContact O-N 3.4Å; A230-S233 PolarHBondContact O-N 3.01Å; A230-V234 VanDerWaalsContact O-CG2 3.3Å; A230-V234 WeakPolarHBondContact O-CG2 3.4Å; A230-V234 PolarHBondContact O-N 3.45Å; A230-Y372 HydrophobicContact CB-CD1 3.66Å; A230-Y372 HydrophobicContact CB-CD2 4.23Å; A230-Y372 HydrophobicContact CB-CE1 4.25Å; A230-Y372 HydrophobicContact CB-CG 3.66Å
231	V	98.6	Very high	98.4	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	17%	0.174	C	C	.	.	H	α-helix	trans	-64.5	-44.2	178.7	170.5	0	0	0	0	112.3	I227 R229 S233 V234 L235 V262 R265 F266	I227-V231 WeakPolarHBondContact O-CB 3.5Å; I227-V231 WeakPolarHBondContact O-CG2 3.34Å; I227-V231 PolarHBondContact O-N 2.97Å; I227-V231 VanDerWaalsContact O-N 3.15Å; R229-V231 PolarHBondContact O-N 2.94Å; V231-S233 VanDerWaalsContact C-N 3.32Å; V231-S233 PolarHBondContact O-N 3.36Å; V231-V234 PolarHBondContact O-N 2.98Å; V231-L235 HydrophobicContact CG1-CD1 3.81Å; V231-L235 HydrophobicContact CG1-CG 4.45Å; V231-L235 WeakPolarHBondContact O-CB 3.34Å; V231-L235 WeakPolarHBondContact O-CG 3.21Å; V231-L235 PolarHBondContact O-N 3.45Å; V231-V262 HydrophobicContact CG2-CG1 4.06Å; V231-R265 HydrophobicContact CB-CG 3.82Å; V231-R265 HydrophobicContact CG1-CB 4.43Å; V231-R265 HydrophobicContact CG1-CG 3.85Å; V231-R265 HydrophobicContact CG2-CB 4.06Å; V231-R265 HydrophobicContact CG2-CG 3.86Å; V231-F266 HydrophobicContact CB-CE1 4.37Å; V231-F266 HydrophobicContact CB-CZ 4.44Å; V231-F266 HydrophobicContact CG1-CD1 3.6Å; V231-F266 HydrophobicContact CG1-CD2 4.45Å; V231-F266 HydrophobicContact CG1-CE1 3.8Å; V231-F266 HydrophobicContact CG1-CG 3.94Å; V231-F266 HydrophobicContact CG1-CZ 4.31Å; V231-F266 HydrophobicContact CG2-CD1 4.5Å; V231-F266 HydrophobicContact CG2-CD2 4Å; V231-F266 HydrophobicContact CG2-CE1 4.37Å; V231-F266 HydrophobicContact CG2-CE2 3.85Å; V231-F266 HydrophobicContact CG2-CG 4.31Å; V231-F266 HydrophobicContact CG2-CZ 4.04Å
232	A	98.6	Very high	98.3	Very high	53 Å²	53	35.3 Å²	35.3	44%	0.438	18%	0.18	S	C	.	.	H	α-helix	trans	-62.2	-40.8	178.7	0	0	0	0	0	112	K228 R229 M236	K228-A232 VanDerWaalsContact O-CB 3.32Å; K228-A232 WeakPolarHBondContact O-CB 3.26Å; K228-A232 PolarHBondContact O-N 2.8Å; K228-A232 VanDerWaalsContact O-N 3.16Å; R229-A232 PolarHBondContact O-N 3.27Å; A232-M236 VanDerWaalsContact O-CB 3.24Å; A232-M236 WeakPolarHBondContact O-CB 3.33Å; A232-M236 PolarHBondContact O-N 2.86Å
233	S	98.6	Very high	98.2	Very high	10 Å²	10	35.3 Å²	35.3	7%	0.07	18%	0.18	C	C	.	.	H	α-helix	trans	-68	-44.4	177.1	-68.4	0	0	0	0	112.3	R229 A230 V231 L235 M236 S237 Y372	R229-S233 VanDerWaalsContact O-CB 3.31Å; R229-S233 WeakPolarHBondContact O-CB 3.44Å; R229-S233 PolarHBondContact O-N 2.79Å; R229-S233 PolarHBondContact O-OG 3.18Å; R229-S233 VanDerWaalsContact O-OG 3.11Å; A230-S233 PolarHBondContact O-N 3.01Å; V231-S233 VanDerWaalsContact C-N 3.32Å; V231-S233 PolarHBondContact O-N 3.36Å; S233-L235 PolarHBondContact O-N 3.23Å; S233-M236 PolarHBondContact O-N 2.64Å; S233-S237 WeakPolarHBondContact O-CB 3.22Å; S233-S237 PolarHBondContact O-N 3.28Å; S233-Y372 WeakPolarHBondContact CB-OH 3.41Å; S233-Y372 PolarHBondContact OG-OH 3.5Å
234	V	98.6	Very high	98	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.1	-45.1	175.7	172.1	0	0	0	0	110.7	V219 A230 V231 S237 K238 E249 V252 F266 L341	V219-V234 HydrophobicContact CG1-CG2 4.15Å; A230-V234 VanDerWaalsContact O-CG2 3.3Å; A230-V234 WeakPolarHBondContact O-CG2 3.4Å; A230-V234 PolarHBondContact O-N 3.45Å; V231-V234 PolarHBondContact O-N 2.98Å; V234-S237 PolarHBondContact O-N 2.93Å; V234-K238 WeakPolarHBondContact O-CB 3.5Å; V234-K238 PolarHBondContact O-N 2.92Å; V234-E249 HydrophobicContact CG1-CB 4.47Å; V234-E249 HydrophobicContact CG2-CG 4.42Å; V234-V252 HydrophobicContact CG1-CG1 4.1Å; V234-V252 HydrophobicContact CG2-CG1 4.21Å; V234-F266 HydrophobicContact CB-CE1 4.21Å; V234-F266 HydrophobicContact CB-CZ 4.08Å; V234-F266 HydrophobicContact CG1-CE1 3.95Å; V234-F266 HydrophobicContact CG1-CZ 3.85Å; V234-L341 HydrophobicContact CG1-CD1 4.36Å; V234-L341 HydrophobicContact CG1-CD2 3.74Å
235	L	98.5	Very high	97.8	Very high	5 Å²	5	29.4 Å²	29.4	3%	0.026	15%	0.149	C	C	.	.	H	α-helix	trans	-60	-52	175.2	-76.1	165.6	0	0	0	111.2	V231 S233 S237 K238 T239 F266 H269 K317 I318	V231-L235 HydrophobicContact CG1-CD1 3.81Å; V231-L235 HydrophobicContact CG1-CG 4.45Å; V231-L235 WeakPolarHBondContact O-CB 3.34Å; V231-L235 WeakPolarHBondContact O-CG 3.21Å; V231-L235 PolarHBondContact O-N 3.45Å; S233-L235 PolarHBondContact O-N 3.23Å; L235-S237 VanDerWaalsContact C-N 3.26Å; L235-S237 PolarHBondContact O-N 2.9Å; L235-K238 PolarHBondContact O-N 3.34Å; L235-T239 WeakPolarHBondContact O-CB 3.09Å; L235-T239 WeakPolarHBondContact O-CG2 3.4Å; L235-T239 PolarHBondContact O-N 3.29Å; L235-T239 PolarHBondContact O-OG1 3Å; L235-F266 HydrophobicContact CD1-CD1 4.41Å; L235-F266 HydrophobicContact CD2-CD1 4.32Å; L235-F266 HydrophobicContact CG-CD1 4.16Å; L235-F266 HydrophobicContact CG-CE1 4.14Å; L235-H269 HydrophobicContact CD1-CB 3.65Å; L235-K317 HydrophobicContact CD2-CB 4.04Å; L235-K317 HydrophobicContact CD2-CD 4.42Å; L235-I318 HydrophobicContact CD2-CB 4.48Å; L235-I318 HydrophobicContact CD2-CD1 3.46Å; L235-I318 VanDerWaalsContact CD2-CD1 3.46Å; L235-I318 HydrophobicContact CD2-CG1 3.56Å; L235-I318 HydrophobicContact CD2-CG2 4.19Å; L235-I318 HydrophobicContact CG-CD1 4.39Å
236	M	98.4	Very high	97.4	Very high	81 Å²	81	30.4 Å²	30.4	40%	0.399	16%	0.155	S	C	.	.	H	α-helix	trans	-59.1	-38.4	179.8	-179.9	171.6	68.1	0	0	112.3	A232 S233 F240 P399 Q402 Y409	A232-M236 VanDerWaalsContact O-CB 3.24Å; A232-M236 WeakPolarHBondContact O-CB 3.33Å; A232-M236 PolarHBondContact O-N 2.86Å; S233-M236 PolarHBondContact O-N 2.64Å; M236-F240 WeakPolarHBondContact O-CB 3.43Å; M236-F240 PolarHBondContact O-N 3.24Å; M236-P399 HydrophobicContact CE-CB 4.41Å; M236-P399 HydrophobicContact CE-CG 3.89Å; M236-Q402 PolarHBondContact O-NE2 3.46Å; M236-Y409 WeakPolarHBondContact CE-OH 3.22Å
237	S	98.3	Very high	97.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-71.1	-43.3	178.1	-173.7	0	0	0	0	112.6	S233 V234 L235 E249 A400 S401	S233-S237 WeakPolarHBondContact O-CB 3.22Å; S233-S237 PolarHBondContact O-N 3.28Å; V234-S237 PolarHBondContact O-N 2.93Å; L235-S237 VanDerWaalsContact C-N 3.26Å; L235-S237 PolarHBondContact O-N 2.9Å; S237-E249 WeakPolarHBondContact CB-OE2 3.24Å; S237-E249 PolarHBondContact OG-OE2 3.15Å; S237-A400 PolarHBondContact OG-N 2.99Å; S237-S401 WeakPolarHBondContact O-CB 3.31Å; S237-S401 PolarHBondContact O-OG 2.92Å; S237-S401 WeakPolarHBondContact OG-CB 3.37Å; S237-S401 PolarHBondContact OG-N 3.5Å; S237-S401 PolarHBondContact OG-OG 3.11Å; S237-S401 VanDerWaalsContact OG-OG 3.05Å
238	K	98	Very high	97.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-80.7	-29.8	-174.1	-168.7	50.3	156.1	176	0	113.3	V234 L235 N242 G243 E249 Q250 I318 S338 T340	V234-K238 WeakPolarHBondContact O-CB 3.5Å; V234-K238 PolarHBondContact O-N 2.92Å; L235-K238 PolarHBondContact O-N 3.34Å; K238-N242 CarbonylContact O-C 3.6Å; K238-G243 WeakPolarHBondContact O-CA 3.28Å; K238-G243 PolarHBondContact O-N 2.92Å; K238-E249 VanDerWaalsContact CD-O 3.26Å; K238-E249 WeakPolarHBondContact CD-O 3.37Å; K238-E249 WeakPolarHBondContact CE-O 3.23Å; K238-E249 PolarHBondContact NZ-O 2.68Å; K238-E249 VanDerWaalsContact NZ-O 3.08Å; K238-Q250 VanDerWaalsContact NZ-CD 3.3Å; K238-Q250 VanDerWaalsContact NZ-NE2 3.18Å; K238-I318 HydrophobicContact CB-CG2 4.15Å; K238-I318 HydrophobicContact CG-CG2 3.9Å; K238-S338 WeakPolarHBondContact CE-O 3.27Å; K238-S338 PolarHBondContact NZ-O 3.41Å; K238-T340 WeakPolarHBondContact CE-O 3.45Å
239	T	98	Very high	97.2	Very high	34 Å²	34	18.7 Å²	18.7	21%	0.209	10%	0.099	C	C	.	.	H	α-helix	trans	-81.1	-20	171.3	61.8	0	0	0	0	112.7	L235 D241 N242 K317 I318	L235-T239 WeakPolarHBondContact O-CB 3.09Å; L235-T239 WeakPolarHBondContact O-CG2 3.4Å; L235-T239 PolarHBondContact O-N 3.29Å; L235-T239 PolarHBondContact O-OG1 3Å; T239-D241 PolarHBondContact O-N 3.06Å; T239-D241 VanDerWaalsContact O-N 3.09Å; T239-N242 WeakPolarHBondContact O-CA 3.3Å; T239-N242 PolarHBondContact O-N 3.44Å; T239-K317 HydrophobicContact CG2-CB 3.59Å; T239-K317 HydrophobicContact CG2-CD 4.33Å; T239-K317 HydrophobicContact CG2-CG 4.11Å; T239-K317 WeakPolarHBondContact CG2-O 3.13Å; T239-I318 HydrophobicContact CG2-CG2 3.94Å
240	F	98.1	Very high	97.1	Very high	19 Å²	19	12.4 Å²	12.4	8%	0.083	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-62.7	115.9	-179.9	-173.8	-111.7	0	0	0	110.5	D64 I67 K68 M236 N242 G243 I245	D64-F240 HydrophobicContact CB-CD2 3.65Å; D64-F240 HydrophobicContact CB-CE2 3.64Å; D64-F240 HydrophobicContact CB-CG 4.32Å; D64-F240 HydrophobicContact CB-CZ 4.31Å; D64-F240 VanDerWaalsContact CG-CD2 3.41Å; D64-F240 WeakPolarHBondContact OD1-CD2 3.43Å; D64-F240 WeakPolarHBondContact OD2-CA 3.41Å; I67-F240 HydrophobicContact CB-CE2 3.88Å; I67-F240 HydrophobicContact CB-CZ 3.84Å; I67-F240 HydrophobicContact CG1-CE2 4.26Å; I67-F240 HydrophobicContact CG2-CE2 4.04Å; I67-F240 HydrophobicContact CG2-CZ 3.8Å; K68-F240 HydrophobicContact CD-CE1 4.14Å; K68-F240 HydrophobicContact CD-CZ 4.46Å; K68-F240 HydrophobicContact CG-CE1 3.74Å; K68-F240 HydrophobicContact CG-CZ 3.82Å; M236-F240 WeakPolarHBondContact O-CB 3.43Å; M236-F240 PolarHBondContact O-N 3.24Å; F240-N242 PolarHBondContact O-N 3.07Å; F240-G243 PolarHBondContact O-N 3.22Å; F240-G243 VanDerWaalsContact O-N 3.1Å; F240-I245 HydrophobicContact CD1-CD1 3.39Å; F240-I245 HydrophobicContact CD1-CG1 4.46Å; F240-I245 HydrophobicContact CE1-CD1 3.43Å; F240-I245 VanDerWaalsContact CE1-CD1 3.43Å
241	D	97.9	Very high	97.1	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	53.2	36.6	-171	-156.1	24.1	0	0	0	112.3	G60 I61 D64 K65 K68 T239 G243 V244	G60-D241 WeakPolarHBondContact CA-OD1 3.38Å; I61-D241 PolarHBondContact N-OD1 2.86Å; D64-D241 HydrophobicContact CB-CB 3.88Å; D64-D241 VanDerWaalsContact CB-N 3.34Å; D64-D241 PolarHBondContact OD2-N 2.9Å; K65-D241 WeakPolarHBondContact CE-OD1 3.39Å; K65-D241 VanDerWaalsContact CG-OD1 3.31Å; K65-D241 WeakPolarHBondContact CG-OD1 3.44Å; K65-D241 VanDerWaalsContact NZ-CG 3.28Å; K65-D241 IonicContact NZ-OD1 2.99Å; K65-D241 PolarHBondContact NZ-OD1 2.79Å; K65-D241 IonicContact NZ-OD2 2.76Å; K65-D241 PolarHBondContact NZ-OD2 3.37Å; K68-D241 HydrophobicContact CD-CB 4.14Å; K68-D241 IonicContact NZ-OD2 3.69Å; K68-D241 PolarHBondContact NZ-OD2 3.4Å; T239-D241 PolarHBondContact O-N 3.06Å; T239-D241 VanDerWaalsContact O-N 3.09Å; D241-G243 PolarHBondContact O-N 2.97Å; D241-V244 HydrophobicContact CB-CG1 3.88Å; D241-V244 WeakPolarHBondContact O-CB 3.47Å; D241-V244 WeakPolarHBondContact O-CG1 3.48Å; D241-V244 PolarHBondContact O-N 3.49Å; D241-V244 WeakPolarHBondContact OD2-CG1 3.35Å
242	N	98.1	Very high	97.1	Very high	22 Å²	22	12.4 Å²	12.4	12%	0.118	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	51.5	37.7	-174.8	-65.7	-31.8	0	0	0	113.3	K238 T239 F240 V244 G298 S338 P339	K238-N242 CarbonylContact O-C 3.6Å; T239-N242 WeakPolarHBondContact O-CA 3.3Å; T239-N242 PolarHBondContact O-N 3.44Å; F240-N242 PolarHBondContact O-N 3.07Å; N242-V244 PolarHBondContact O-N 3.46Å; N242-G298 VanDerWaalsContact CB-O 3.3Å; N242-G298 WeakPolarHBondContact CB-O 3.34Å; N242-G298 PolarHBondContact ND2-O 3.45Å; N242-S338 CarbonylContact O-C 3.48Å; N242-S338 WeakPolarHBondContact O-CA 3.49Å; N242-P339 VanDerWaalsContact O-CD 3.32Å; N242-P339 WeakPolarHBondContact O-CD 3.44Å
243	G	95.7	Very high	97.1	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	72.3	16.2	173.2	0	0	0	0	0	113.7	K238 F240 D241 I245 S248 L337	K238-G243 WeakPolarHBondContact O-CA 3.28Å; K238-G243 PolarHBondContact O-N 2.92Å; F240-G243 PolarHBondContact O-N 3.22Å; F240-G243 VanDerWaalsContact O-N 3.1Å; D241-G243 PolarHBondContact O-N 2.97Å; G243-I245 PolarHBondContact O-N 3.33Å; G243-S248 PolarHBondContact O-OG 3.01Å; G243-S248 VanDerWaalsContact O-OG 3.12Å; G243-L337 CarbonylContact O-C 3.59Å; G243-L337 VanDerWaalsContact O-C 3.29Å; G243-L337 VanDerWaalsContact O-CA 3.26Å; G243-L337 WeakPolarHBondContact O-CA 3.39Å
244	V	95.1	Very high	97.1	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-8.1	-179	84.4	0	0	0	0	113	M59 T114 D241 N242 V297	M59-V244 HydrophobicContact SD-CG2 3.89Å; T114-V244 HydrophobicContact CG2-CG2 3.57Å; D241-V244 HydrophobicContact CB-CG1 3.88Å; D241-V244 WeakPolarHBondContact O-CB 3.47Å; D241-V244 WeakPolarHBondContact O-CG1 3.48Å; D241-V244 PolarHBondContact O-N 3.49Å; D241-V244 WeakPolarHBondContact OD2-CG1 3.35Å; N242-V244 PolarHBondContact O-N 3.46Å; V244-V297 HydrophobicContact CG2-CG1 3.78Å
245	I	92.8	Very high	97.1	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.01	5%	0.051	C	C	.	.	S	Bend	trans	-76.8	130	174.4	-59.6	-169.5	0	0	0	109.6	K68 F240 G243 A247 S248	K68-I245 HydrophobicContact CD-CD1 4.01Å; K68-I245 HydrophobicContact CD-CG1 4.47Å; K68-I245 HydrophobicContact CG-CD1 4.34Å; F240-I245 HydrophobicContact CD1-CD1 3.39Å; F240-I245 HydrophobicContact CD1-CG1 4.46Å; F240-I245 HydrophobicContact CE1-CD1 3.43Å; F240-I245 VanDerWaalsContact CE1-CD1 3.43Å; G243-I245 PolarHBondContact O-N 3.33Å; I245-A247 VanDerWaalsContact C-N 3.28Å; I245-A247 HydrophobicContact CG2-CB 4.37Å; I245-A247 PolarHBondContact O-N 3.45Å; I245-S248 VanDerWaalsContact O-CB 3.23Å; I245-S248 WeakPolarHBondContact O-CB 3.36Å; I245-S248 PolarHBondContact O-N 3.47Å; I245-S248 PolarHBondContact O-OG 2.79Å
246	C	90.2	Very high	97.1	Very high	33 Å²	33	12.1 Å²	12.1	22%	0.223	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-35.2	-176.8	55.8	0	0	0	0	114	S248 H367	C246-S248 PolarHBondContact O-N 3.33Å; C246-H367 PolarHBondContact SG-NE2 3.48Å
247	A	94.8	Very high	97.1	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-15.1	178.3	0	0	0	0	0	113.4	T217 I245 A400 L419	T217-A247 VanDerWaalsContact CB-O 3.27Å; T217-A247 WeakPolarHBondContact CB-O 3.41Å; T217-A247 WeakPolarHBondContact CG2-O 3.43Å; T217-A247 PolarHBondContact OG1-O 3.19Å; I245-A247 VanDerWaalsContact C-N 3.28Å; I245-A247 HydrophobicContact CG2-CB 4.37Å; I245-A247 PolarHBondContact O-N 3.45Å; A247-A400 WeakPolarHBondContact CB-O 3.32Å; A247-A400 WeakPolarHBondContact O-CB 3.22Å; A247-L419 HydrophobicContact CB-CD1 4.25Å
248	S	97	Very high	97.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	-55.8	143.6	-174.1	64.2	0	0	0	0	112.2	G243 I245 C246 Q250 S401	G243-S248 PolarHBondContact O-OG 3.01Å; G243-S248 VanDerWaalsContact O-OG 3.12Å; I245-S248 VanDerWaalsContact O-CB 3.23Å; I245-S248 WeakPolarHBondContact O-CB 3.36Å; I245-S248 PolarHBondContact O-N 3.47Å; I245-S248 PolarHBondContact O-OG 2.79Å; C246-S248 PolarHBondContact O-N 3.33Å; S248-Q250 PolarHBondContact O-N 2.87Å; S248-Q250 PolarHBondContact O-NE2 3.35Å; S248-Q250 PolarHBondContact OG-NE2 2.93Å; S248-S401 WeakPolarHBondContact CA-OG 3.36Å; S248-S401 VanDerWaalsContact CB-OG 3.26Å; S248-S401 WeakPolarHBondContact CB-OG 3.47Å
249	E	98.2	Very high	97.2	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	125	178.6	-67.1	84	165	0	0	109.3	V219 V234 S237 K238 L341 A400	V219-E249 HydrophobicContact CB-CG 4.02Å; V219-E249 HydrophobicContact CG1-CB 4.21Å; V219-E249 HydrophobicContact CG1-CG 3.8Å; V234-E249 HydrophobicContact CG1-CB 4.47Å; V234-E249 HydrophobicContact CG2-CG 4.42Å; S237-E249 WeakPolarHBondContact CB-OE2 3.24Å; S237-E249 PolarHBondContact OG-OE2 3.15Å; K238-E249 VanDerWaalsContact CD-O 3.26Å; K238-E249 WeakPolarHBondContact CD-O 3.37Å; K238-E249 WeakPolarHBondContact CE-O 3.23Å; K238-E249 PolarHBondContact NZ-O 2.68Å; K238-E249 VanDerWaalsContact NZ-O 3.08Å; E249-L341 HydrophobicContact CB-CD1 4.23Å; E249-A400 HydrophobicContact CG-CB 4.09Å; E249-A400 WeakPolarHBondContact OE1-CB 3.29Å; E249-A400 PolarHBondContact OE1-N 3.45Å; E249-A400 WeakPolarHBondContact OE2-CB 3.1Å
250	Q	97.9	Very high	97.2	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	-24	177.7	-58.3	-54.4	-39.3	0	0	111.6	N216 T217 K238 S248 K336 A342	N216-Q250 WeakPolarHBondContact OD1-CB 3.49Å; T217-Q250 PolarHBondContact O-N 2.87Å; K238-Q250 VanDerWaalsContact NZ-CD 3.3Å; K238-Q250 VanDerWaalsContact NZ-NE2 3.18Å; S248-Q250 PolarHBondContact O-N 2.87Å; S248-Q250 PolarHBondContact O-NE2 3.35Å; S248-Q250 PolarHBondContact OG-NE2 2.93Å; Q250-K336 PolarHBondContact O-NZ 2.99Å; Q250-A342 PolarHBondContact O-N 3.13Å
251	S	98.2	Very high	97.2	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.007	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	139.6	-179.5	53	0	0	0	0	110.8	V219 A342	V219-S251 VanDerWaalsContact CG1-O 3.29Å; V219-S251 WeakPolarHBondContact CG1-O 3.45Å; V219-S251 PolarHBondContact N-O 3.06Å; S251-A342 CarbonylContact C-O 3.58Å; S251-A342 VanDerWaalsContact CA-O 3.3Å; S251-A342 WeakPolarHBondContact CA-O 3.41Å
252	V	98.6	Very high	97.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	136.6	163.2	-65.2	0	0	0	0	108.8	V219 I221 V234 V254 F266 L341 A342 M343 Y344	V219-V252 HydrophobicContact CG1-CB 3.89Å; V219-V252 HydrophobicContact CG1-CG1 3.24Å; V219-V252 CarbonylContact O-C 3.59Å; V219-V252 WeakPolarHBondContact O-CA 3.27Å; I221-V252 HydrophobicContact CD1-CG1 4.36Å; V234-V252 HydrophobicContact CG1-CG1 4.1Å; V234-V252 HydrophobicContact CG2-CG1 4.21Å; V252-V254 HydrophobicContact CB-CG2 4.14Å; V252-V254 HydrophobicContact CG2-CG2 4.08Å; V252-F266 HydrophobicContact CG1-CZ 4.23Å; V252-F266 HydrophobicContact CG2-CE2 4.47Å; V252-L341 HydrophobicContact CG1-CD1 4.38Å; V252-L341 HydrophobicContact CG1-CD2 3.83Å; V252-L341 HydrophobicContact CG1-CG 4.42Å; V252-L341 HydrophobicContact CG2-CD2 4.16Å; V252-A342 WeakPolarHBondContact CG2-O 3.39Å; V252-A342 PolarHBondContact N-O 3.13Å; V252-M343 HydrophobicContact CG2-CB 3.74Å; V252-M343 HydrophobicContact CG2-CG 3.62Å; V252-M343 HydrophobicContact CG2-SD 4.24Å; V252-Y344 PolarHBondContact O-N 3.36Å
253	V	98.8	Very high	97.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	103.6	172.9	-170.2	0	0	0	0	107	V219 V220 I221 Y344 A346 A352 K355 L359	V219-V253 PolarHBondContact O-N 2.87Å; V220-V253 WeakPolarHBondContact CA-O 3.22Å; V220-V253 HydrophobicContact CG2-CB 4.34Å; I221-V253 PolarHBondContact N-O 2.92Å; V253-Y344 HydrophobicContact CG2-CD2 4.24Å; V253-A346 HydrophobicContact CG1-CB 3.9Å; V253-A352 HydrophobicContact CB-CB 4.49Å; V253-A352 HydrophobicContact CG1-CB 3.76Å; V253-K355 HydrophobicContact CG1-CB 4.09Å; V253-K355 HydrophobicContact CG1-CD 4.07Å; V253-L359 HydrophobicContact CG2-CD1 3.93Å
254	V	98.8	Very high	97.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	131.2	-170.5	-171.3	0	0	0	0	108.8	I221 V252 V258 Y259 V262 Y344 A346	I221-V254 HydrophobicContact CB-CG1 4.42Å; I221-V254 HydrophobicContact CB-CG2 4.34Å; I221-V254 HydrophobicContact CD1-CG2 4.27Å; V252-V254 HydrophobicContact CB-CG2 4.14Å; V252-V254 HydrophobicContact CG2-CG2 4.08Å; V254-V258 HydrophobicContact CG1-CG2 3.93Å; V254-Y259 HydrophobicContact CB-CD2 3.99Å; V254-Y259 HydrophobicContact CG1-CD2 4.42Å; V254-V262 HydrophobicContact CG1-CB 4.07Å; V254-V262 HydrophobicContact CG1-CG1 4.27Å; V254-V262 HydrophobicContact CG1-CG2 3.92Å; V254-V262 HydrophobicContact CG2-CG1 3.99Å; V254-Y344 PolarHBondContact N-O 3.01Å; V254-A346 PolarHBondContact O-N 2.94Å
255	V	98.7	Very high	97.6	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	146.8	175.8	-56.7	0	0	0	0	110.8	I221 E223 S257 V258 Y259 A346 D348 A352	I221-V255 PolarHBondContact O-N 3.1Å; E223-V255 HydrophobicContact CB-CG2 4.05Å; V255-S257 VanDerWaalsContact C-N 3.28Å; V255-S257 WeakPolarHBondContact CG2-OG 3.33Å; V255-S257 PolarHBondContact O-N 3.49Å; V255-V258 HydrophobicContact CG2-CG2 3.92Å; V255-V258 PolarHBondContact O-N 3.16Å; V255-Y259 PolarHBondContact O-N 3.11Å; V255-A346 CarbonylContact C-O 3.59Å; V255-A346 WeakPolarHBondContact CA-O 3.45Å; V255-D348 VanDerWaalsContact CG1-C 3.42Å; V255-D348 WeakPolarHBondContact CG1-O 3.41Å; V255-A352 HydrophobicContact CG1-CB 4.13Å
256	D	98.5	Very high	97.8	Very high	62 Å²	62	29.6 Å²	29.6	33%	0.332	16%	0.16	S	C	.	.	H	α-helix	trans	-50.6	-46.2	-171.9	-170.6	-4.9	0	0	0	112.9	V258 Y259 R345 A346	D256-V258 PolarHBondContact O-N 3.04Å; D256-Y259 WeakPolarHBondContact O-CB 3.43Å; D256-Y259 PolarHBondContact O-N 3.1Å; D256-R345 IonicContact OD1-CZ 3.67Å; D256-R345 IonicContact OD1-NE 3.93Å; D256-R345 IonicContact OD1-NH1 3.93Å; D256-R345 PolarHBondContact OD1-NH1 3.42Å; D256-R345 IonicContact OD1-NH2 2.93Å; D256-R345 PolarHBondContact OD1-NH2 3.41Å; D256-R345 IonicContact OD2-CZ 2.83Å; D256-R345 IonicContact OD2-NH1 2.78Å; D256-R345 PolarHBondContact OD2-NH1 2.97Å; D256-R345 IonicContact OD2-NH2 2.62Å; D256-R345 PolarHBondContact OD2-NH2 2.8Å; D256-A346 PolarHBondContact N-O 3.3Å
257	S	98.2	Very high	98.2	Very high	86 Å²	86	29.9 Å²	29.9	60%	0.601	17%	0.165	S	C	*	.	H	α-helix	trans	-55.3	-23.1	-174.4	58.7	0	0	0	0	115.5	E223 V255	E223-S257 WeakPolarHBondContact CB-OG 3.2Å; V255-S257 VanDerWaalsContact C-N 3.28Å; V255-S257 WeakPolarHBondContact CG2-OG 3.33Å; V255-S257 PolarHBondContact O-N 3.49Å
258	V	98.5	Very high	98.4	Very high	22 Å²	22	33.9 Å²	33.9	13%	0.133	19%	0.189	C	C	.	.	H	α-helix	trans	-123.6	3.9	177.7	-63.6	0	0	0	0	113.2	I227 V254 V255 D256 D260 A261 V262	I227-V258 HydrophobicContact CG2-CB 4.3Å; V254-V258 HydrophobicContact CG1-CG2 3.93Å; V255-V258 HydrophobicContact CG2-CG2 3.92Å; V255-V258 PolarHBondContact O-N 3.16Å; D256-V258 PolarHBondContact O-N 3.04Å; V258-D260 PolarHBondContact O-N 2.83Å; V258-A261 PolarHBondContact O-N 3.46Å; V258-V262 HydrophobicContact CB-CG2 4.45Å; V258-V262 HydrophobicContact CG2-CG2 4.33Å; V258-V262 WeakPolarHBondContact O-CB 3.41Å; V258-V262 VanDerWaalsContact O-CG2 3.31Å; V258-V262 WeakPolarHBondContact O-CG2 3.27Å; V258-V262 PolarHBondContact O-N 2.92Å
259	Y	98.7	Very high	98.4	Very high	17 Å²	17	37.1 Å²	37.1	7%	0.067	20%	0.204	C	C	.	.	H	α-helix	trans	-56.7	-50.9	-174	-174.2	-85.8	0	0	0	112.4	V254 V255 D256 A261 V262 R263 E322 M343 R345	V254-Y259 HydrophobicContact CB-CD2 3.99Å; V254-Y259 HydrophobicContact CG1-CD2 4.42Å; V255-Y259 PolarHBondContact O-N 3.11Å; D256-Y259 WeakPolarHBondContact O-CB 3.43Å; D256-Y259 PolarHBondContact O-N 3.1Å; Y259-A261 VanDerWaalsContact C-N 3.33Å; Y259-A261 PolarHBondContact O-N 2.65Å; Y259-V262 PolarHBondContact O-N 3.4Å; Y259-R263 VanDerWaalsContact O-CB 3.25Å; Y259-R263 WeakPolarHBondContact O-CB 3.17Å; Y259-R263 PolarHBondContact O-N 3.11Å; Y259-E322 PolarHBondContact OH-OE1 2.57Å; Y259-M343 HydrophobicContact CE1-CE 3.82Å; Y259-M343 HydrophobicContact CE2-CE 3.99Å; Y259-M343 HydrophobicContact CE2-CG 3.9Å; Y259-M343 VanDerWaalsContact CZ-CE 3.44Å; Y259-M343 VanDerWaalsContact OH-CE 3.28Å; Y259-M343 WeakPolarHBondContact OH-CE 3.43Å; Y259-R345 HydrophobicContact CD2-CB 3.8Å; Y259-R345 HydrophobicContact CD2-CG 3.67Å; Y259-R345 HydrophobicContact CE2-CB 3.61Å; Y259-R345 HydrophobicContact CE2-CG 3.97Å; Y259-R345 HydrophobicContact CG-CG 4.05Å
260	D	98.5	Very high	98.4	Very high	112 Å²	112	38 Å²	38	60%	0.599	21%	0.213	S	C	*	.	H	α-helix	trans	-65.4	-37.4	-177.9	-67.8	-20.4	0	0	0	112.2	V258 R263 E264	V258-D260 PolarHBondContact O-N 2.83Å; D260-R263 PolarHBondContact O-N 3.49Å; D260-E264 WeakPolarHBondContact O-CB 3.27Å; D260-E264 PolarHBondContact O-N 2.83Å
261	A	98.5	Very high	98.4	Very high	48 Å²	48	38.2 Å²	38.2	40%	0.397	22%	0.216	S	C	.	.	H	α-helix	trans	-67.5	-40.8	176.7	0	0	0	0	0	111.6	I227 V258 Y259 R265	I227-A261 HydrophobicContact CD1-CB 3.81Å; V258-A261 PolarHBondContact O-N 3.46Å; Y259-A261 VanDerWaalsContact C-N 3.33Å; Y259-A261 PolarHBondContact O-N 2.65Å; A261-R265 WeakPolarHBondContact O-CB 3.48Å; A261-R265 PolarHBondContact O-N 3.48Å
262	V	98.7	Very high	98.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.1	-44.2	175.8	169.8	0	0	0	0	110.8	I221 I227 V231 V254 V258 Y259 R265 F266	I221-V262 HydrophobicContact CD1-CG1 4.39Å; I221-V262 HydrophobicContact CG2-CG2 4.38Å; I227-V262 HydrophobicContact CB-CG2 4.17Å; I227-V262 HydrophobicContact CG2-CG2 3.91Å; V231-V262 HydrophobicContact CG2-CG1 4.06Å; V254-V262 HydrophobicContact CG1-CB 4.07Å; V254-V262 HydrophobicContact CG1-CG1 4.27Å; V254-V262 HydrophobicContact CG1-CG2 3.92Å; V254-V262 HydrophobicContact CG2-CG1 3.99Å; V258-V262 HydrophobicContact CB-CG2 4.45Å; V258-V262 HydrophobicContact CG2-CG2 4.33Å; V258-V262 WeakPolarHBondContact O-CB 3.41Å; V258-V262 VanDerWaalsContact O-CG2 3.31Å; V258-V262 WeakPolarHBondContact O-CG2 3.27Å; V258-V262 PolarHBondContact O-N 2.92Å; Y259-V262 PolarHBondContact O-N 3.4Å; V262-R265 PolarHBondContact O-N 3.22Å; V262-F266 HydrophobicContact CG1-CD2 3.72Å; V262-F266 HydrophobicContact CG1-CE2 3.57Å; V262-F266 VanDerWaalsContact O-CD2 3.31Å; V262-F266 WeakPolarHBondContact O-CD2 3.36Å; V262-F266 PolarHBondContact O-N 3.46Å
263	R	98.4	Very high	98.3	Very high	61 Å²	61	42.8 Å²	42.8	23%	0.23	24%	0.235	C	C	.	.	H	α-helix	trans	-54.8	-52.4	175.3	178	-179.3	-172.7	-78	-5.7	111.8	Y259 D260 R265 F266 A267 L273 E322 M343	Y259-R263 VanDerWaalsContact O-CB 3.25Å; Y259-R263 WeakPolarHBondContact O-CB 3.17Å; Y259-R263 PolarHBondContact O-N 3.11Å; D260-R263 PolarHBondContact O-N 3.49Å; R263-R265 VanDerWaalsContact C-N 3.33Å; R263-R265 PolarHBondContact O-N 3.45Å; R263-F266 PolarHBondContact O-N 2.93Å; R263-A267 PolarHBondContact O-N 3.42Å; R263-L273 HydrophobicContact CG-CD1 3.43Å; R263-L273 VanDerWaalsContact CG-CD1 3.43Å; R263-E322 WeakPolarHBondContact CD-OE1 3.31Å; R263-E322 IonicContact CZ-OE1 2.69Å; R263-E322 IonicContact NE-OE1 3.84Å; R263-E322 PolarHBondContact NE-OE1 3.09Å; R263-E322 IonicContact NE-OE2 2.72Å; R263-M343 HydrophobicContact CB-CE 3.62Å; R263-M343 HydrophobicContact CG-CE 3.8Å
264	E	98.5	Very high	98.3	Very high	105 Å²	105	43 Å²	43	49%	0.491	24%	0.236	S	C	.	.	H	α-helix	trans	-66	-37.7	178.6	-175.2	57.9	-154.7	0	0	111.8	D260 F266 A267 T268	D260-E264 WeakPolarHBondContact O-CB 3.27Å; D260-E264 PolarHBondContact O-N 2.83Å; E264-F266 VanDerWaalsContact C-N 3.35Å; E264-F266 PolarHBondContact O-N 2.82Å; E264-A267 PolarHBondContact O-N 3.41Å; E264-T268 HydrophobicContact CG-CG2 4.49Å; E264-T268 WeakPolarHBondContact O-CG2 3.31Å; E264-T268 PolarHBondContact O-N 2.98Å; E264-T268 PolarHBondContact O-OG1 2.92Å; E264-T268 WeakPolarHBondContact OE1-CG2 3.36Å
265	R	98.4	Very high	98	Very high	74 Å²	74	48.5 Å²	48.5	28%	0.279	26%	0.262	S	S	.	.	H	α-helix	trans	-64.1	-40.2	176.9	-172	68	178.7	176.1	6.6	111.6	V231 A261 V262 R263 T268 H269	V231-R265 HydrophobicContact CB-CG 3.82Å; V231-R265 HydrophobicContact CG1-CB 4.43Å; V231-R265 HydrophobicContact CG1-CG 3.85Å; V231-R265 HydrophobicContact CG2-CB 4.06Å; V231-R265 HydrophobicContact CG2-CG 3.86Å; A261-R265 WeakPolarHBondContact O-CB 3.48Å; A261-R265 PolarHBondContact O-N 3.48Å; V262-R265 PolarHBondContact O-N 3.22Å; R263-R265 VanDerWaalsContact C-N 3.33Å; R263-R265 PolarHBondContact O-N 3.45Å; R265-T268 PolarHBondContact O-OG1 3.47Å; R265-T268 VanDerWaalsContact O-OG1 3.12Å; R265-H269 PolarHBondContact NE-CE1 2.96Å; R265-H269 PolarHBondContact NH1-CE1 2.78Å; R265-H269 PolarHBondContact NH1-NE2 2.89Å; R265-H269 PolarHBondContact NH2-NE2 3.23Å; R265-H269 VanDerWaalsContact NH2-NE2 3.12Å; R265-H269 WeakPolarHBondContact O-CB 3.29Å; R265-H269 PolarHBondContact O-N 3.23Å; R265-H269 PolarHBondContact O-ND1 3.45Å
266	F	98.6	Very high	97.8	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.7	-49.6	171.5	-86.7	-64.2	0	0	0	111.2	V231 V234 L235 V252 V262 R263 E264 T268 H269 G270 G271 I318 I320 L341 M343	V231-F266 HydrophobicContact CB-CE1 4.37Å; V231-F266 HydrophobicContact CB-CZ 4.44Å; V231-F266 HydrophobicContact CG1-CD1 3.6Å; V231-F266 HydrophobicContact CG1-CD2 4.45Å; V231-F266 HydrophobicContact CG1-CE1 3.8Å; V231-F266 HydrophobicContact CG1-CG 3.94Å; V231-F266 HydrophobicContact CG1-CZ 4.31Å; V231-F266 HydrophobicContact CG2-CD1 4.5Å; V231-F266 HydrophobicContact CG2-CD2 4Å; V231-F266 HydrophobicContact CG2-CE1 4.37Å; V231-F266 HydrophobicContact CG2-CE2 3.85Å; V231-F266 HydrophobicContact CG2-CG 4.31Å; V231-F266 HydrophobicContact CG2-CZ 4.04Å; V234-F266 HydrophobicContact CB-CE1 4.21Å; V234-F266 HydrophobicContact CB-CZ 4.08Å; V234-F266 HydrophobicContact CG1-CE1 3.95Å; V234-F266 HydrophobicContact CG1-CZ 3.85Å; L235-F266 HydrophobicContact CD1-CD1 4.41Å; L235-F266 HydrophobicContact CD2-CD1 4.32Å; L235-F266 HydrophobicContact CG-CD1 4.16Å; L235-F266 HydrophobicContact CG-CE1 4.14Å; V252-F266 HydrophobicContact CG1-CZ 4.23Å; V252-F266 HydrophobicContact CG2-CE2 4.47Å; V262-F266 HydrophobicContact CG1-CD2 3.72Å; V262-F266 HydrophobicContact CG1-CE2 3.57Å; V262-F266 VanDerWaalsContact O-CD2 3.31Å; V262-F266 WeakPolarHBondContact O-CD2 3.36Å; V262-F266 PolarHBondContact O-N 3.46Å; R263-F266 PolarHBondContact O-N 2.93Å; E264-F266 VanDerWaalsContact C-N 3.35Å; E264-F266 PolarHBondContact O-N 2.82Å; F266-T268 VanDerWaalsContact C-N 3.33Å; F266-T268 PolarHBondContact O-N 2.96Å; F266-H269 PolarHBondContact O-N 3.49Å; F266-H269 VanDerWaalsContact O-N 3.08Å; F266-G270 PolarHBondContact O-N 3.26Å; F266-G271 WeakPolarHBondContact O-CA 3.32Å; F266-G271 PolarHBondContact O-N 2.93Å; F266-I318 HydrophobicContact CD1-CD1 3.99Å; F266-I318 HydrophobicContact CE1-CD1 3.99Å; F266-I320 HydrophobicContact CB-CD1 3.55Å; F266-I320 HydrophobicContact CD1-CD1 3.66Å; F266-I320 HydrophobicContact CD2-CD1 4.09Å; F266-I320 HydrophobicContact CE1-CD1 4.38Å; F266-I320 HydrophobicContact CG-CD1 3.51Å; F266-L341 HydrophobicContact CE1-CD2 4.23Å; F266-L341 HydrophobicContact CZ-CD2 4.05Å; F266-M343 HydrophobicContact CD2-SD 4.22Å; F266-M343 HydrophobicContact CE2-SD 4.49Å
267	A	98.1	Very high	97.7	Very high	38 Å²	38	57.8 Å²	57.8	31%	0.314	32%	0.318	S	S	.	.	H	α-helix	trans	-53.4	-49.6	-178.8	0	0	0	0	0	112.3	R263 E264 H269 G271 L273	R263-A267 PolarHBondContact O-N 3.42Å; E264-A267 PolarHBondContact O-N 3.41Å; A267-H269 PolarHBondContact O-N 3.25Å; A267-G271 VanDerWaalsContact CA-O 3.3Å; A267-G271 WeakPolarHBondContact CA-O 3.18Å; A267-L273 HydrophobicContact CB-CD1 4.34Å
268	T	97.9	Very high	97.7	Very high	85 Å²	85	56.1 Å²	56.1	52%	0.521	30%	0.301	S	S	.	.	H	α-helix	trans	-69.9	-15.7	-178.4	51.2	0	0	0	0	114.5	E264 R265 F266	E264-T268 HydrophobicContact CG-CG2 4.49Å; E264-T268 WeakPolarHBondContact O-CG2 3.31Å; E264-T268 PolarHBondContact O-N 2.98Å; E264-T268 PolarHBondContact O-OG1 2.92Å; E264-T268 WeakPolarHBondContact OE1-CG2 3.36Å; R265-T268 PolarHBondContact O-OG1 3.47Å; R265-T268 VanDerWaalsContact O-OG1 3.12Å; F266-T268 VanDerWaalsContact C-N 3.33Å; F266-T268 PolarHBondContact O-N 2.96Å
269	H	98.1	Very high	97.7	Very high	67 Å²	67	56.4 Å²	56.4	31%	0.31	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	18.7	-174.9	-65.1	64.8	0	0	0	113.3	L235 R265 F266 A267	L235-H269 HydrophobicContact CD1-CB 3.65Å; R265-H269 PolarHBondContact NE-CE1 2.96Å; R265-H269 PolarHBondContact NH1-CE1 2.78Å; R265-H269 PolarHBondContact NH1-NE2 2.89Å; R265-H269 PolarHBondContact NH2-NE2 3.23Å; R265-H269 VanDerWaalsContact NH2-NE2 3.12Å; R265-H269 WeakPolarHBondContact O-CB 3.29Å; R265-H269 PolarHBondContact O-N 3.23Å; R265-H269 PolarHBondContact O-ND1 3.45Å; F266-H269 PolarHBondContact O-N 3.49Å; F266-H269 VanDerWaalsContact O-N 3.08Å; A267-H269 PolarHBondContact O-N 3.25Å
270	G	96.9	Very high	97.6	Very high	18 Å²	18	61.8 Å²	61.8	19%	0.186	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	99.6	12	174.3	0	0	0	0	0	114.8	F266 K317 I318	F266-G270 PolarHBondContact O-N 3.26Å; G270-K317 WeakPolarHBondContact O-CB 3.45Å; G270-K317 PolarHBondContact O-N 3.12Å; G270-I318 PolarHBondContact O-N 2.8Å
271	G	98	Very high	97.6	Very high	6 Å²	6	57.6 Å²	57.6	6%	0.062	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	124.6	166.4	0	0	0	0	0	110.6	F266 A267	F266-G271 WeakPolarHBondContact O-CA 3.32Å; F266-G271 PolarHBondContact O-N 2.93Å; A267-G271 VanDerWaalsContact CA-O 3.3Å; A267-G271 WeakPolarHBondContact CA-O 3.18Å
272	Y	98.5	Very high	97.5	Very high	74 Å²	74	55.3 Å²	55.3	29%	0.29	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	114.3	172.2	-165.9	-85.6	0	0	0	109.4	L274 E278 F310 V312 I318 I320	Y272-L274 HydrophobicContact CD1-CD2 4.17Å; Y272-L274 PolarHBondContact O-N 3.38Å; Y272-E278 PolarHBondContact OH-OE1 3.3Å; Y272-F310 HydrophobicContact CE1-CE2 4.38Å; Y272-V312 HydrophobicContact CD1-CG1 3.72Å; Y272-V312 HydrophobicContact CD2-CB 4.15Å; Y272-V312 HydrophobicContact CD2-CG1 3.85Å; Y272-V312 HydrophobicContact CE1-CG1 3.79Å; Y272-V312 HydrophobicContact CE2-CB 4.36Å; Y272-V312 HydrophobicContact CE2-CG1 3.91Å; Y272-V312 HydrophobicContact CG-CB 4.35Å; Y272-V312 HydrophobicContact CG-CG1 3.75Å; Y272-I318 PolarHBondContact N-O 2.85Å; Y272-I320 PolarHBondContact O-N 3.41Å
273	L	98.2	Very high	97.4	Very high	23 Å²	23	56.8 Å²	56.8	12%	0.12	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	110.8	-179.5	-55.6	-179.5	0	0	0	109.2	R263 A267 I320	R263-L273 HydrophobicContact CG-CD1 3.43Å; R263-L273 VanDerWaalsContact CG-CD1 3.43Å; A267-L273 HydrophobicContact CB-CD1 4.34Å; L273-I320 HydrophobicContact CD2-CB 3.82Å; L273-I320 HydrophobicContact CD2-CD1 3.97Å; L273-I320 HydrophobicContact CD2-CG1 4.38Å; L273-I320 HydrophobicContact CD2-CG2 3.98Å
274	L	98	Very high	97.3	Very high	4 Å²	4	58.3 Å²	58.3	2%	0.021	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	127.5	-178.7	-60.1	171.1	0	0	0	110.4	Y272 E278 L279 V282 F310 L319 I320 F332	Y272-L274 HydrophobicContact CD1-CD2 4.17Å; Y272-L274 PolarHBondContact O-N 3.38Å; L274-E278 HydrophobicContact CD2-CB 4.16Å; L274-L279 HydrophobicContact CB-CB 3.98Å; L274-L279 HydrophobicContact CB-CD1 4.23Å; L274-L279 HydrophobicContact CD1-CD1 4.25Å; L274-V282 HydrophobicContact CD1-CB 3.77Å; L274-V282 HydrophobicContact CD1-CG1 3.99Å; L274-V282 HydrophobicContact CD1-CG2 3.69Å; L274-V282 HydrophobicContact CD2-CG2 3.9Å; L274-V282 HydrophobicContact CG-CG2 4.47Å; L274-F310 HydrophobicContact CD2-CE2 4.17Å; L274-F310 HydrophobicContact CD2-CZ 3.6Å; L274-L319 HydrophobicContact CD1-CB 4.15Å; L274-L319 HydrophobicContact CD2-CB 4.39Å; L274-L319 HydrophobicContact CD2-CD2 4.3Å; L274-L319 HydrophobicContact CG-CB 4.35Å; L274-I320 WeakPolarHBondContact CB-O 3.14Å; L274-I320 WeakPolarHBondContact CG-O 3.4Å; L274-I320 PolarHBondContact N-O 3.42Å; L274-F332 HydrophobicContact CD1-CE2 4.21Å; L274-F332 HydrophobicContact CD1-CZ 3.63Å
275	Q	92.9	Very high	97.2	Very high	116 Å²	116	54 Å²	54	54%	0.542	29%	0.287	S	S	.	.			trans	-120.5	143.3	-180	-63.5	-171.2	-19.3	0	0	112.1	K277 E278	Q275-K277 PolarHBondContact O-N 3.09Å; Q275-E278 PolarHBondContact N-OE2 3.27Å; Q275-E278 WeakPolarHBondContact O-CB 3.21Å; Q275-E278 PolarHBondContact O-N 3.06Å
276	G	94.7	Very high	97.2	Very high	66 Å²	66	50.4 Å²	50.4	68%	0.68	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	-111	171.1	0	0	0	0	0	113.8	E278	G276-E278 VanDerWaalsContact C-N 3.34Å; G276-E278 PolarHBondContact O-N 3.18Å
277	K	96.3	Very high	97	Very high	192 Å²	192	52.1 Å²	52.1	84%	0.835	28%	0.283	S	S	*	.	H	α-helix	trans	-67.7	-31.7	-176.7	-67.9	-176.4	179.1	178.5	0	113.2	Q275 A281	Q275-K277 PolarHBondContact O-N 3.09Å; K277-A281 WeakPolarHBondContact O-CB 3.48Å; K277-A281 PolarHBondContact O-N 3.24Å
278	E	97.9	Very high	96.7	Very high	51 Å²	51	55 Å²	55	24%	0.238	29%	0.289	C	S	.	.	H	α-helix	trans	-67.7	-43.5	-179	-59.5	174.2	129.8	0	0	110.8	Y272 L274 Q275 G276 K280 A281 V282 F310	Y272-E278 PolarHBondContact OH-OE1 3.3Å; L274-E278 HydrophobicContact CD2-CB 4.16Å; Q275-E278 PolarHBondContact N-OE2 3.27Å; Q275-E278 WeakPolarHBondContact O-CB 3.21Å; Q275-E278 PolarHBondContact O-N 3.06Å; G276-E278 VanDerWaalsContact C-N 3.34Å; G276-E278 PolarHBondContact O-N 3.18Å; E278-K280 VanDerWaalsContact C-N 3.34Å; E278-K280 PolarHBondContact O-N 2.89Å; E278-A281 PolarHBondContact O-N 3.16Å; E278-V282 WeakPolarHBondContact O-CG2 3.33Å; E278-V282 PolarHBondContact O-N 2.8Å; E278-F310 HydrophobicContact CB-CE1 4.36Å; E278-F310 HydrophobicContact CB-CE2 4.22Å; E278-F310 HydrophobicContact CB-CZ 4.11Å; E278-F310 HydrophobicContact CG-CD2 4.17Å; E278-F310 HydrophobicContact CG-CE2 4.19Å; E278-F310 HydrophobicContact CG-CG 4.47Å
279	L	97.7	Very high	96.4	Very high	28 Å²	28	59.3 Å²	59.3	15%	0.147	31%	0.308	C	S	.	.	H	α-helix	trans	-56.5	-50	176.9	176.4	59.9	0	0	0	111	L274 A281 V282 Q283 G321 V323 F332	L274-L279 HydrophobicContact CB-CB 3.98Å; L274-L279 HydrophobicContact CB-CD1 4.23Å; L274-L279 HydrophobicContact CD1-CD1 4.25Å; L279-A281 PolarHBondContact O-N 3.44Å; L279-V282 PolarHBondContact O-N 2.94Å; L279-Q283 HydrophobicContact CD1-CG 4.46Å; L279-Q283 WeakPolarHBondContact O-CG 3.28Å; L279-Q283 PolarHBondContact O-N 2.96Å; L279-G321 VanDerWaalsContact CD1-CA 3.5Å; L279-V323 HydrophobicContact CD1-CG1 4.33Å; L279-V323 HydrophobicContact CD2-CG1 4.33Å; L279-F332 HydrophobicContact CD1-CD2 4.19Å; L279-F332 HydrophobicContact CD1-CE2 3.86Å; L279-F332 HydrophobicContact CD1-CZ 4.4Å
280	K	97.1	Very high	95.9	Very high	129 Å²	129	59.5 Å²	59.5	56%	0.561	33%	0.328	S	S	*	.	H	α-helix	trans	-61.9	-43.3	178.5	-171.8	174.5	-178.7	177	0	112	E278 V282 Q283 D284	E278-K280 VanDerWaalsContact C-N 3.34Å; E278-K280 PolarHBondContact O-N 2.89Å; K280-V282 VanDerWaalsContact C-N 3.32Å; K280-V282 PolarHBondContact O-N 2.93Å; K280-Q283 WeakPolarHBondContact O-CB 3.42Å; K280-Q283 PolarHBondContact O-N 3.38Å; K280-D284 WeakPolarHBondContact O-CB 3.38Å; K280-D284 VanDerWaalsContact O-CG 3.24Å; K280-D284 PolarHBondContact O-N 3.4Å
281	A	97.5	Very high	95.5	Very high	25 Å²	25	61.5 Å²	61.5	21%	0.207	34%	0.343	C	S	.	.	H	α-helix	trans	-61.9	-39.5	178.4	0	0	0	0	0	112.3	K277 E278 L279 D284 V285 A308	K277-A281 WeakPolarHBondContact O-CB 3.48Å; K277-A281 PolarHBondContact O-N 3.24Å; E278-A281 PolarHBondContact O-N 3.16Å; L279-A281 PolarHBondContact O-N 3.44Å; A281-D284 PolarHBondContact O-N 3.15Å; A281-V285 PolarHBondContact O-N 3.12Å; A281-A308 HydrophobicContact CB-CB 4.16Å; A281-A308 WeakPolarHBondContact CB-O 3.27Å
282	V	97.9	Very high	95.3	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-68.8	-42.6	174.4	179.5	0	0	0	0	111.3	L274 E278 L279 K280 D284 V285 I286 I304 A308 F310 L319 F332 T340	L274-V282 HydrophobicContact CD1-CB 3.77Å; L274-V282 HydrophobicContact CD1-CG1 3.99Å; L274-V282 HydrophobicContact CD1-CG2 3.69Å; L274-V282 HydrophobicContact CD2-CG2 3.9Å; L274-V282 HydrophobicContact CG-CG2 4.47Å; E278-V282 WeakPolarHBondContact O-CG2 3.33Å; E278-V282 PolarHBondContact O-N 2.8Å; L279-V282 PolarHBondContact O-N 2.94Å; K280-V282 VanDerWaalsContact C-N 3.32Å; K280-V282 PolarHBondContact O-N 2.93Å; V282-D284 VanDerWaalsContact C-N 3.29Å; V282-D284 PolarHBondContact O-N 3.44Å; V282-V285 WeakPolarHBondContact O-CG2 3.29Å; V282-V285 PolarHBondContact O-N 3.19Å; V282-I286 HydrophobicContact CG1-CD1 4.07Å; V282-I286 HydrophobicContact CG1-CG1 4.33Å; V282-I286 WeakPolarHBondContact O-CG1 3.3Å; V282-I286 PolarHBondContact O-N 3.38Å; V282-I286 VanDerWaalsContact O-N 3.11Å; V282-I304 HydrophobicContact CG1-CG2 4.45Å; V282-A308 HydrophobicContact CG2-CB 4Å; V282-F310 HydrophobicContact CG2-CE1 3.63Å; V282-F310 HydrophobicContact CG2-CZ 3.84Å; V282-L319 HydrophobicContact CG2-CD1 4.24Å; V282-F332 HydrophobicContact CB-CE2 4.2Å; V282-F332 HydrophobicContact CB-CZ 4.38Å; V282-F332 HydrophobicContact CG1-CE2 3.78Å; V282-F332 HydrophobicContact CG1-CZ 3.68Å; V282-T340 HydrophobicContact CG1-CG2 4.33Å
283	Q	96.5	Very high	95.1	Very high	31 Å²	31	61 Å²	61	15%	0.145	34%	0.344	C	S	.	.	H	α-helix	trans	-53.4	-45.9	173.6	-78.5	167.4	-25.9	0	0	111.7	L279 K280 V285 I286 E330 P331 F332	L279-Q283 HydrophobicContact CD1-CG 4.46Å; L279-Q283 WeakPolarHBondContact O-CG 3.28Å; L279-Q283 PolarHBondContact O-N 2.96Å; K280-Q283 WeakPolarHBondContact O-CB 3.42Å; K280-Q283 PolarHBondContact O-N 3.38Å; Q283-V285 PolarHBondContact O-N 2.94Å; Q283-I286 PolarHBondContact O-N 3.41Å; Q283-E330 VanDerWaalsContact NE2-CD 3.33Å; Q283-E330 PolarHBondContact NE2-OE1 3.5Å; Q283-E330 PolarHBondContact NE2-OE2 2.96Å; Q283-P331 HydrophobicContact CB-CB 4.35Å; Q283-P331 HydrophobicContact CB-CG 4.12Å; Q283-P331 HydrophobicContact CG-CG 4.49Å; Q283-P331 WeakPolarHBondContact O-CB 3.47Å; Q283-F332 HydrophobicContact CG-CD2 3.57Å; Q283-F332 HydrophobicContact CG-CE2 3.93Å
284	D	96.2	Very high	94.9	Very high	92 Å²	92	62.5 Å²	62.5	49%	0.492	36%	0.36	S	S	.	.	H	α-helix	trans	-69.2	-15.6	-177.4	-70	-25.2	0	0	0	114.2	K280 A281 V282 K288	K280-D284 WeakPolarHBondContact O-CB 3.38Å; K280-D284 VanDerWaalsContact O-CG 3.24Å; K280-D284 PolarHBondContact O-N 3.4Å; A281-D284 PolarHBondContact O-N 3.15Å; V282-D284 VanDerWaalsContact C-N 3.29Å; V282-D284 PolarHBondContact O-N 3.44Å; D284-K288 PolarHBondContact O-NZ 3.37Å
285	V	96.8	Very high	94.7	Very high	14 Å²	14	64.8 Å²	64.8	9%	0.085	38%	0.379	C	S	.	.	H	α-helix	trans	-103.1	-17.1	175.2	-59.5	0	0	0	0	114	A281 V282 Q283 N293 A308	A281-V285 PolarHBondContact O-N 3.12Å; V282-V285 WeakPolarHBondContact O-CG2 3.29Å; V282-V285 PolarHBondContact O-N 3.19Å; Q283-V285 PolarHBondContact O-N 2.94Å; V285-N293 WeakPolarHBondContact O-CB 3.3Å; V285-N293 PolarHBondContact O-ND2 2.86Å; V285-A308 HydrophobicContact CG1-CB 4.39Å; V285-A308 HydrophobicContact CG2-CB 4.01Å
286	I	96.8	Very high	94.9	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-63.8	-51.5	176.5	-73.5	164.3	0	0	0	110.3	V282 Q283 L292 N293 I296 P331 F332 K336	V282-I286 HydrophobicContact CG1-CD1 4.07Å; V282-I286 HydrophobicContact CG1-CG1 4.33Å; V282-I286 WeakPolarHBondContact O-CG1 3.3Å; V282-I286 PolarHBondContact O-N 3.38Å; V282-I286 VanDerWaalsContact O-N 3.11Å; Q283-I286 PolarHBondContact O-N 3.41Å; I286-L292 HydrophobicContact CG2-CD1 4.22Å; I286-N293 WeakPolarHBondContact O-CB 2.99Å; I286-N293 PolarHBondContact O-N 3.4Å; I286-I296 HydrophobicContact CB-CD1 4.36Å; I286-I296 HydrophobicContact CG1-CD1 4.11Å; I286-I296 HydrophobicContact CG2-CD1 4.48Å; I286-P331 HydrophobicContact CB-CB 4.06Å; I286-P331 HydrophobicContact CD1-CB 4.49Å; I286-P331 HydrophobicContact CG2-CB 4.12Å; I286-F332 HydrophobicContact CD1-CD1 4.45Å; I286-F332 HydrophobicContact CD1-CD2 3.57Å; I286-F332 HydrophobicContact CD1-CE1 4.38Å; I286-F332 HydrophobicContact CD1-CE2 3.48Å; I286-F332 VanDerWaalsContact CD1-CE2 3.48Å; I286-F332 HydrophobicContact CD1-CG 4.08Å; I286-F332 HydrophobicContact CD1-CZ 3.92Å; I286-K336 HydrophobicContact CD1-CD 3.83Å; I286-K336 HydrophobicContact CG1-CD 4.43Å; I286-K336 HydrophobicContact CG2-CD 4.2Å; I286-K336 HydrophobicContact CG2-CG 3.83Å
287	L	94.6	Very high	95	Very high	36 Å²	36	56.8 Å²	56.8	19%	0.188	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	130.9	179.8	-62.2	-178.9	0	0	0	111	A291 P331	L287-A291 CarbonylContact C-O 3.55Å; L287-A291 WeakPolarHBondContact CA-O 3.24Å; L287-P331 HydrophobicContact CD1-CB 4.04Å; L287-P331 HydrophobicContact CD1-CG 4.21Å; L287-P331 HydrophobicContact CG-CB 4.02Å
288	K	92.9	Very high	95	Very high	99 Å²	99	47.7 Å²	47.7	43%	0.43	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	123.2	169.4	-68.8	-63.9	-177.2	-154.6	0	108.4	D284 G290 A291 N293	D284-K288 PolarHBondContact O-NZ 3.37Å; K288-G290 PolarHBondContact O-N 2.84Å; K288-A291 PolarHBondContact N-O 3.07Å; K288-A291 PolarHBondContact O-N 2.97Å; K288-A291 VanDerWaalsContact O-N 3.11Å; K288-A291 VanDerWaalsContact O-O 3.09Å; K288-N293 HydrophobicContact CB-CB 4.37Å; K288-N293 HydrophobicContact CG-CB 3.82Å
289	N	90.4	Very high	95	Very high	175 Å²	175	46.8 Å²	46.8	94%	0.936	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	38.3	-177.9	-51.6	-36.4	0	0	0	113.3	A291	N289-A291 PolarHBondContact O-N 3.35Å
290	G	88.1	Confident	95	Very high	71 Å²	71	46.8 Å²	46.8	73%	0.732	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	-2.8	-179.1	0	0	0	0	0	115.5	K288	K288-G290 PolarHBondContact O-N 2.84Å
291	A	89.5	Confident	95.1	Very high	59 Å²	59	40.7 Å²	40.7	49%	0.488	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	158.5	176.5	0	0	0	0	0	111.4	L287 K288 N289 N293	L287-A291 CarbonylContact C-O 3.55Å; L287-A291 WeakPolarHBondContact CA-O 3.24Å; K288-A291 PolarHBondContact N-O 3.07Å; K288-A291 PolarHBondContact O-N 2.97Å; K288-A291 VanDerWaalsContact O-N 3.11Å; K288-A291 VanDerWaalsContact O-O 3.09Å; N289-A291 PolarHBondContact O-N 3.35Å; A291-N293 PolarHBondContact O-N 3.41Å
292	L	92.2	Very high	95.1	Very high	45 Å²	45	42.2 Å²	42.2	24%	0.236	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	129.2	172.7	-179.8	61.3	0	0	0	110.9	I286 A294 I296 V297 L337	I286-L292 HydrophobicContact CG2-CD1 4.22Å; L292-A294 PolarHBondContact O-N 3.36Å; L292-I296 HydrophobicContact CD1-CD1 3.82Å; L292-I296 HydrophobicContact CD1-CG1 4.17Å; L292-V297 HydrophobicContact CD2-CG2 3.72Å; L292-V297 HydrophobicContact CG-CG2 4.02Å; L292-L337 HydrophobicContact CD2-CB 4.05Å; L292-L337 HydrophobicContact CD2-CD1 4.19Å; L292-L337 HydrophobicContact CD2-CG 4.15Å
293	N	95.2	Very high	95.1	Very high	25 Å²	25	45.9 Å²	45.9	13%	0.134	27%	0.273	C	S	.	.			trans	-67.1	107.3	178.2	-178.7	1.5	0	0	0	110.6	V285 I286 K288 A291 A295 I296	V285-N293 WeakPolarHBondContact O-CB 3.3Å; V285-N293 PolarHBondContact O-ND2 2.86Å; I286-N293 WeakPolarHBondContact O-CB 2.99Å; I286-N293 PolarHBondContact O-N 3.4Å; K288-N293 HydrophobicContact CB-CB 4.37Å; K288-N293 HydrophobicContact CG-CB 3.82Å; A291-N293 PolarHBondContact O-N 3.41Å; N293-A295 PolarHBondContact O-N 2.71Å; N293-A295 WeakPolarHBondContact OD1-CB 3.46Å; N293-A295 PolarHBondContact OD1-N 2.84Å; N293-A295 VanDerWaalsContact OD1-N 3.15Å; N293-I296 HydrophobicContact CB-CG1 4.18Å; N293-I296 HydrophobicContact CB-CG2 4.42Å; N293-I296 WeakPolarHBondContact O-CG1 3.49Å; N293-I296 PolarHBondContact O-N 3.31Å
294	A	93.1	Very high	95.2	Very high	55 Å²	55	44.4 Å²	44.4	46%	0.455	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-14.5	-177.8	0	0	0	0	0	114.5	L292	L292-A294 PolarHBondContact O-N 3.36Å
295	A	94.1	Very high	95.3	Very high	52 Å²	52	40 Å²	40	43%	0.43	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-22.9	175	0	0	0	0	0	113.7	N293 Q299 L307	N293-A295 PolarHBondContact O-N 2.71Å; N293-A295 WeakPolarHBondContact OD1-CB 3.46Å; N293-A295 PolarHBondContact OD1-N 2.84Å; N293-A295 VanDerWaalsContact OD1-N 3.15Å; A295-Q299 WeakPolarHBondContact O-CG 2.96Å; A295-L307 HydrophobicContact CB-CD2 3.97Å
296	I	96.7	Very high	95.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-18.2	177.7	67.8	154.3	0	0	0	112.9	I286 L292 N293 G298 Q299 I304 L307 S338	I286-I296 HydrophobicContact CB-CD1 4.36Å; I286-I296 HydrophobicContact CG1-CD1 4.11Å; I286-I296 HydrophobicContact CG2-CD1 4.48Å; L292-I296 HydrophobicContact CD1-CD1 3.82Å; L292-I296 HydrophobicContact CD1-CG1 4.17Å; N293-I296 HydrophobicContact CB-CG1 4.18Å; N293-I296 HydrophobicContact CB-CG2 4.42Å; N293-I296 WeakPolarHBondContact O-CG1 3.49Å; N293-I296 PolarHBondContact O-N 3.31Å; I296-G298 PolarHBondContact O-N 2.73Å; I296-Q299 PolarHBondContact O-N 3.09Å; I296-I304 HydrophobicContact CB-CD1 4.48Å; I296-I304 HydrophobicContact CB-CG1 4.36Å; I296-L307 HydrophobicContact CG2-CD2 4.08Å; I296-S338 WeakPolarHBondContact O-CB 3.45Å
297	V	96.7	Very high	95.3	Very high	13 Å²	13	48.6 Å²	48.6	8%	0.079	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	120.8	-174.5	177.4	0	0	0	0	110.5	M59 V244 L292 Q299 L337	M59-V297 WeakPolarHBondContact CB-O 3.35Å; M59-V297 HydrophobicContact CE-CG1 4.21Å; M59-V297 HydrophobicContact SD-CG1 4.04Å; V244-V297 HydrophobicContact CG2-CG1 3.78Å; L292-V297 HydrophobicContact CD2-CG2 3.72Å; L292-V297 HydrophobicContact CG-CG2 4.02Å; V297-Q299 PolarHBondContact O-N 2.73Å; V297-L337 WeakPolarHBondContact CA-O 3.42Å; V297-L337 HydrophobicContact CG1-CB 3.93Å; V297-L337 HydrophobicContact CG1-CD1 4.47Å; V297-L337 HydrophobicContact CG2-CB 4.41Å
298	G	97.1	Very high	95.5	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.01	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	17.7	-179.4	0	0	0	0	0	115.5	G60 N242 I296 L337	G60-G298 PolarHBondContact N-O 3.27Å; N242-G298 VanDerWaalsContact CB-O 3.3Å; N242-G298 WeakPolarHBondContact CB-O 3.34Å; N242-G298 PolarHBondContact ND2-O 3.45Å; I296-G298 PolarHBondContact O-N 2.73Å; G298-L337 PolarHBondContact N-O 3.32Å
299	Q	98.2	Very high	95.7	Very high	32 Å²	32	46.2 Å²	46.2	15%	0.15	30%	0.295	C	S	.	.			trans	-81.7	148.4	170	-66.1	-54.2	-49.1	0	0	110.9	G58 A295 I296 V297 K303 I304 P339	G58-Q299 PolarHBondContact O-NE2 3.46Å; A295-Q299 WeakPolarHBondContact O-CG 2.96Å; I296-Q299 PolarHBondContact O-N 3.09Å; V297-Q299 PolarHBondContact O-N 2.73Å; Q299-K303 HydrophobicContact CB-CB 4.33Å; Q299-I304 HydrophobicContact CB-CG1 4.22Å; Q299-P339 WeakPolarHBondContact O-CD 3.32Å; Q299-P339 WeakPolarHBondContact O-CG 3.33Å
300	P	98.2	Very high	96	Very high	29 Å²	29	39.7 Å²	39.7	19%	0.188	26%	0.259	C	S	.	.			trans	-65.5	156.2	172.5	29.8	-36.5	0	0	0	111.5	Y302 K303 I304	P300-Y302 VanDerWaalsContact C-N 3.34Å; P300-Y302 HydrophobicContact CB-CD1 3.92Å; P300-Y302 HydrophobicContact CB-CE1 3.75Å; P300-Y302 HydrophobicContact CG-CD1 4Å; P300-Y302 HydrophobicContact CG-CE1 3.48Å; P300-Y302 VanDerWaalsContact CG-CE1 3.48Å; P300-Y302 PolarHBondContact O-N 2.89Å; P300-K303 HydrophobicContact CG-CB 4.13Å; P300-K303 HydrophobicContact CG-CD 3.9Å; P300-K303 HydrophobicContact CG-CG 3.88Å; P300-K303 PolarHBondContact O-N 3.33Å; P300-K303 VanDerWaalsContact O-N 3.11Å; P300-I304 PolarHBondContact O-N 3.48Å
301	A	98.3	Very high	96.5	Very high	1 Å²	1	41 Å²	41	1%	0.008	26%	0.256	C	S	.	.	H	α-helix	trans	-56	-42.4	-173.5	0	0	0	0	0	113.8	K303 I304 A305 T316 L319 P339	A301-K303 VanDerWaalsContact C-N 3.31Å; A301-K303 PolarHBondContact O-N 2.78Å; A301-I304 WeakPolarHBondContact O-CB 3.2Å; A301-I304 PolarHBondContact O-N 2.48Å; A301-I304 VanDerWaalsContact O-N 3.1Å; A301-A305 PolarHBondContact O-N 2.83Å; A301-A305 VanDerWaalsContact O-N 3.12Å; A301-T316 HydrophobicContact CB-CG2 4.05Å; A301-L319 HydrophobicContact CB-CD2 4.39Å; A301-L319 HydrophobicContact CB-CG 4.09Å; A301-P339 HydrophobicContact CB-CG 4.15Å
302	Y	98.3	Very high	96.9	Very high	56 Å²	56	38.9 Å²	38.9	22%	0.22	24%	0.237	C	C	.	.	H	α-helix	trans	-62.5	-36.3	179.9	77.9	-92.5	0	0	0	112.8	P300 I304 A305 E306 E314	P300-Y302 VanDerWaalsContact C-N 3.34Å; P300-Y302 HydrophobicContact CB-CD1 3.92Å; P300-Y302 HydrophobicContact CB-CE1 3.75Å; P300-Y302 HydrophobicContact CG-CD1 4Å; P300-Y302 HydrophobicContact CG-CE1 3.48Å; P300-Y302 VanDerWaalsContact CG-CE1 3.48Å; P300-Y302 PolarHBondContact O-N 2.89Å; Y302-I304 VanDerWaalsContact C-N 3.33Å; Y302-I304 PolarHBondContact O-N 3.05Å; Y302-A305 WeakPolarHBondContact O-CB 3.24Å; Y302-A305 PolarHBondContact O-N 3.48Å; Y302-E306 WeakPolarHBondContact O-CG 3.32Å; Y302-E306 PolarHBondContact O-N 3.34Å; Y302-E314 HydrophobicContact CD1-CB 4.49Å; Y302-E314 HydrophobicContact CD2-CG 4.49Å; Y302-E314 HydrophobicContact CG-CG 4.39Å
303	K	98	Very high	97.2	Very high	77 Å²	77	40 Å²	40	34%	0.335	25%	0.247	S	C	.	.	H	α-helix	trans	-67.5	-33.7	174.7	-75.6	-169.5	175.4	171.9	0	112.3	Q299 P300 A301 A305 E306 L307	Q299-K303 HydrophobicContact CB-CB 4.33Å; P300-K303 HydrophobicContact CG-CB 4.13Å; P300-K303 HydrophobicContact CG-CD 3.9Å; P300-K303 HydrophobicContact CG-CG 3.88Å; P300-K303 PolarHBondContact O-N 3.33Å; P300-K303 VanDerWaalsContact O-N 3.11Å; A301-K303 VanDerWaalsContact C-N 3.31Å; A301-K303 PolarHBondContact O-N 2.78Å; K303-A305 VanDerWaalsContact C-N 3.32Å; K303-E306 WeakPolarHBondContact O-CB 3.14Å; K303-E306 PolarHBondContact O-N 2.74Å; K303-L307 WeakPolarHBondContact O-CD1 3.21Å; K303-L307 PolarHBondContact O-N 2.85Å
304	I	98.1	Very high	97.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-66.6	-39.6	175.7	-61.1	174.9	0	0	0	110.2	V282 I296 Q299 P300 A301 Y302 L307 A308 L319 P339 T340	V282-I304 HydrophobicContact CG1-CG2 4.45Å; I296-I304 HydrophobicContact CB-CD1 4.48Å; I296-I304 HydrophobicContact CB-CG1 4.36Å; Q299-I304 HydrophobicContact CB-CG1 4.22Å; P300-I304 PolarHBondContact O-N 3.48Å; A301-I304 WeakPolarHBondContact O-CB 3.2Å; A301-I304 PolarHBondContact O-N 2.48Å; A301-I304 VanDerWaalsContact O-N 3.1Å; Y302-I304 VanDerWaalsContact C-N 3.33Å; Y302-I304 PolarHBondContact O-N 3.05Å; I304-L307 PolarHBondContact O-N 2.92Å; I304-A308 WeakPolarHBondContact O-CB 3.47Å; I304-A308 PolarHBondContact O-N 3Å; I304-L319 HydrophobicContact CB-CD1 3.99Å; I304-L319 HydrophobicContact CG2-CD1 3.88Å; I304-P339 HydrophobicContact CD1-CG 4.05Å; I304-T340 HydrophobicContact CD1-CG2 4.05Å; I304-T340 HydrophobicContact CG2-CG2 4.24Å
305	A	98	Very high	97.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.8	-44.1	172.8	0	0	0	0	0	111.5	A301 Y302 K303 L307 A308 G309 F310 V312	A301-A305 PolarHBondContact O-N 2.83Å; A301-A305 VanDerWaalsContact O-N 3.12Å; Y302-A305 WeakPolarHBondContact O-CB 3.24Å; Y302-A305 PolarHBondContact O-N 3.48Å; K303-A305 VanDerWaalsContact C-N 3.32Å; A305-L307 VanDerWaalsContact C-N 3.34Å; A305-L307 PolarHBondContact O-N 2.93Å; A305-A308 CarbonylContact O-C 3.54Å; A305-A308 WeakPolarHBondContact O-CA 3.45Å; A305-A308 WeakPolarHBondContact O-CB 3.44Å; A305-A308 PolarHBondContact O-N 3.32Å; A305-G309 PolarHBondContact O-N 2.98Å; A305-F310 CarbonylContact C-O 3.4Å; A305-F310 HydrophobicContact CB-CD1 4.31Å; A305-F310 HydrophobicContact CB-CD2 4.18Å; A305-F310 HydrophobicContact CB-CE1 3.98Å; A305-F310 HydrophobicContact CB-CE2 3.85Å; A305-F310 HydrophobicContact CB-CG 4.39Å; A305-F310 HydrophobicContact CB-CZ 3.72Å; A305-F310 PolarHBondContact O-N 3.45Å; A305-V312 HydrophobicContact CB-CG1 4.11Å; A305-V312 HydrophobicContact CB-CG2 3.94Å
306	E	97.9	Very high	97.6	Very high	115 Å²	115	47.9 Å²	47.9	54%	0.537	27%	0.27	S	S	.	.	H	α-helix	trans	-58.1	-44.6	175.3	-70.6	173.4	176.2	0	0	111.9	Y302 K303 A308 G309 F310	Y302-E306 WeakPolarHBondContact O-CG 3.32Å; Y302-E306 PolarHBondContact O-N 3.34Å; K303-E306 WeakPolarHBondContact O-CB 3.14Å; K303-E306 PolarHBondContact O-N 2.74Å; E306-A308 VanDerWaalsContact C-N 3.26Å; E306-A308 PolarHBondContact O-N 3.49Å; E306-G309 PolarHBondContact O-N 2.85Å; E306-F310 WeakPolarHBondContact CA-O 3.03Å; E306-F310 PolarHBondContact N-O 3.02Å; E306-F310 VanDerWaalsContact N-O 3.16Å
307	L	96.9	Very high	97.7	Very high	79 Å²	79	53 Å²	53	41%	0.414	29%	0.292	S	S	.	.	H	α-helix	trans	-62.7	-33.4	174.6	-90.2	81.3	0	0	0	112.4	A295 I296 K303 I304 A305 G309	A295-L307 HydrophobicContact CB-CD2 3.97Å; I296-L307 HydrophobicContact CG2-CD2 4.08Å; K303-L307 WeakPolarHBondContact O-CD1 3.21Å; K303-L307 PolarHBondContact O-N 2.85Å; I304-L307 PolarHBondContact O-N 2.92Å; A305-L307 VanDerWaalsContact C-N 3.34Å; A305-L307 PolarHBondContact O-N 2.93Å; L307-G309 VanDerWaalsContact C-N 3.28Å
308	A	97.5	Very high	97.8	Very high	17 Å²	17	52.3 Å²	52.3	14%	0.14	29%	0.288	C	S	.	.	H	α-helix	trans	-78.7	-7.8	175.1	0	0	0	0	0	113.4	A281 V282 V285 I304 A305 E306 F310	A281-A308 HydrophobicContact CB-CB 4.16Å; A281-A308 WeakPolarHBondContact CB-O 3.27Å; V282-A308 HydrophobicContact CG2-CB 4Å; V285-A308 HydrophobicContact CG1-CB 4.39Å; V285-A308 HydrophobicContact CG2-CB 4.01Å; I304-A308 WeakPolarHBondContact O-CB 3.47Å; I304-A308 PolarHBondContact O-N 3Å; A305-A308 CarbonylContact O-C 3.54Å; A305-A308 WeakPolarHBondContact O-CA 3.45Å; A305-A308 WeakPolarHBondContact O-CB 3.44Å; A305-A308 PolarHBondContact O-N 3.32Å; E306-A308 VanDerWaalsContact C-N 3.26Å; E306-A308 PolarHBondContact O-N 3.49Å; A308-F310 HydrophobicContact CB-CD1 3.89Å; A308-F310 HydrophobicContact CB-CE1 3.65Å
309	G	97.2	Very high	97.9	Very high	69 Å²	69	52.3 Å²	52.3	71%	0.711	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.4	20.7	175.6	0	0	0	0	0	115.4	A305 E306 L307	A305-G309 PolarHBondContact O-N 2.98Å; E306-G309 PolarHBondContact O-N 2.85Å; L307-G309 VanDerWaalsContact C-N 3.28Å
310	F	97.8	Very high	97.9	Very high	38 Å²	38	50.8 Å²	50.8	17%	0.167	28%	0.281	C	S	.	.			trans	-139.4	-179.7	171.2	72.5	-74.2	0	0	0	110.9	Y272 L274 E278 V282 A305 E306 A308 V312	Y272-F310 HydrophobicContact CE1-CE2 4.38Å; L274-F310 HydrophobicContact CD2-CE2 4.17Å; L274-F310 HydrophobicContact CD2-CZ 3.6Å; E278-F310 HydrophobicContact CB-CE1 4.36Å; E278-F310 HydrophobicContact CB-CE2 4.22Å; E278-F310 HydrophobicContact CB-CZ 4.11Å; E278-F310 HydrophobicContact CG-CD2 4.17Å; E278-F310 HydrophobicContact CG-CE2 4.19Å; E278-F310 HydrophobicContact CG-CG 4.47Å; V282-F310 HydrophobicContact CG2-CE1 3.63Å; V282-F310 HydrophobicContact CG2-CZ 3.84Å; A305-F310 CarbonylContact C-O 3.4Å; A305-F310 HydrophobicContact CB-CD1 4.31Å; A305-F310 HydrophobicContact CB-CD2 4.18Å; A305-F310 HydrophobicContact CB-CE1 3.98Å; A305-F310 HydrophobicContact CB-CE2 3.85Å; A305-F310 HydrophobicContact CB-CG 4.39Å; A305-F310 HydrophobicContact CB-CZ 3.72Å; A305-F310 PolarHBondContact O-N 3.45Å; E306-F310 WeakPolarHBondContact CA-O 3.03Å; E306-F310 PolarHBondContact N-O 3.02Å; E306-F310 VanDerWaalsContact N-O 3.16Å; A308-F310 HydrophobicContact CB-CD1 3.89Å; A308-F310 HydrophobicContact CB-CE1 3.65Å; F310-V312 HydrophobicContact CD2-CG1 4.13Å; F310-V312 HydrophobicContact CE2-CG1 3.54Å; F310-V312 HydrophobicContact CZ-CG1 4.43Å
311	S	97.8	Very high	97.9	Very high	97 Å²	97	49.4 Å²	49.4	68%	0.678	27%	0.272	S	S	*	.			trans	-129.5	142.3	-179.3	60.4	0	0	0	0	111.2
312	V	97.8	Very high	97.9	Very high	15 Å²	15	52.3 Å²	52.3	9%	0.091	29%	0.285	C	S	.	.			trans	-122.6	162.6	169.7	-61.6	0	0	0	0	109.2	Y272 A305 F310 T316 L319	Y272-V312 HydrophobicContact CD1-CG1 3.72Å; Y272-V312 HydrophobicContact CD2-CB 4.15Å; Y272-V312 HydrophobicContact CD2-CG1 3.85Å; Y272-V312 HydrophobicContact CE1-CG1 3.79Å; Y272-V312 HydrophobicContact CE2-CB 4.36Å; Y272-V312 HydrophobicContact CE2-CG1 3.91Å; Y272-V312 HydrophobicContact CG-CB 4.35Å; Y272-V312 HydrophobicContact CG-CG1 3.75Å; A305-V312 HydrophobicContact CB-CG1 4.11Å; A305-V312 HydrophobicContact CB-CG2 3.94Å; F310-V312 HydrophobicContact CD2-CG1 4.13Å; F310-V312 HydrophobicContact CE2-CG1 3.54Å; F310-V312 HydrophobicContact CZ-CG1 4.43Å; V312-T316 HydrophobicContact CG2-CG2 4.14Å; V312-L319 HydrophobicContact CG1-CD2 4.17Å; V312-L319 HydrophobicContact CG2-CD2 4.17Å
313	P	97.7	Very high	97.8	Very high	69 Å²	69	50.2 Å²	50.2	45%	0.448	28%	0.278	S	S	.	.			trans	-52.6	140.3	173.5	-28.1	37.1	0	0	0	112.7	N315 T316	P313-N315 WeakPolarHBondContact CB-OD1 3.29Å; P313-N315 PolarHBondContact O-N 3.32Å; P313-N315 VanDerWaalsContact O-N 3.16Å; P313-T316 WeakPolarHBondContact O-CB 3.39Å; P313-T316 PolarHBondContact O-N 3.15Å; P313-T316 PolarHBondContact O-OG1 2.75Å; P313-T316 VanDerWaalsContact O-OG1 3.05Å
314	E	96.8	Very high	97.8	Very high	155 Å²	155	52.4 Å²	52.4	72%	0.724	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.5	180	-68.7	-170.6	176.1	0	0	113.2	Y302 T316	Y302-E314 HydrophobicContact CD1-CB 4.49Å; Y302-E314 HydrophobicContact CD2-CG 4.49Å; Y302-E314 HydrophobicContact CG-CG 4.39Å; E314-T316 PolarHBondContact O-N 3.17Å
315	N	97.4	Very high	97.7	Very high	128 Å²	128	54.8 Å²	54.8	68%	0.684	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-1	175.5	72.7	-38.1	0	0	0	113.4	P313 K317	P313-N315 WeakPolarHBondContact CB-OD1 3.29Å; P313-N315 PolarHBondContact O-N 3.32Å; P313-N315 VanDerWaalsContact O-N 3.16Å; N315-K317 PolarHBondContact O-N 3.35Å
316	T	98.2	Very high	97.6	Very high	14 Å²	14	56.1 Å²	56.1	9%	0.086	32%	0.321	C	S	.	.			trans	-61.4	121.4	169.9	-66.6	0	0	0	0	109.2	A301 V312 P313 E314 I318 L319	A301-T316 HydrophobicContact CB-CG2 4.05Å; V312-T316 HydrophobicContact CG2-CG2 4.14Å; P313-T316 WeakPolarHBondContact O-CB 3.39Å; P313-T316 PolarHBondContact O-N 3.15Å; P313-T316 PolarHBondContact O-OG1 2.75Å; P313-T316 VanDerWaalsContact O-OG1 3.05Å; E314-T316 PolarHBondContact O-N 3.17Å; T316-I318 WeakPolarHBondContact CG2-O 3.49Å; T316-L319 HydrophobicContact CG2-CD2 4.16Å
317	K	98.3	Very high	97.5	Very high	107 Å²	107	54.6 Å²	54.6	47%	0.465	32%	0.316	S	S	.	.			trans	-81.8	-46.8	-178.3	-75.5	-172.4	-174.5	-179.7	0	111.9	L235 T239 G270 N315 P339	L235-K317 HydrophobicContact CD2-CB 4.04Å; L235-K317 HydrophobicContact CD2-CD 4.42Å; T239-K317 HydrophobicContact CG2-CB 3.59Å; T239-K317 HydrophobicContact CG2-CD 4.33Å; T239-K317 HydrophobicContact CG2-CG 4.11Å; T239-K317 WeakPolarHBondContact CG2-O 3.13Å; G270-K317 WeakPolarHBondContact O-CB 3.45Å; G270-K317 PolarHBondContact O-N 3.12Å; N315-K317 PolarHBondContact O-N 3.35Å; K317-P339 WeakPolarHBondContact O-CB 3.4Å
318	I	98.4	Very high	97.3	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	151.9	-178	64	173.9	0	0	0	111.6	L235 K238 T239 F266 G270 Y272 T316 I320 P339 L341	L235-I318 HydrophobicContact CD2-CB 4.48Å; L235-I318 HydrophobicContact CD2-CD1 3.46Å; L235-I318 VanDerWaalsContact CD2-CD1 3.46Å; L235-I318 HydrophobicContact CD2-CG1 3.56Å; L235-I318 HydrophobicContact CD2-CG2 4.19Å; L235-I318 HydrophobicContact CG-CD1 4.39Å; K238-I318 HydrophobicContact CB-CG2 4.15Å; K238-I318 HydrophobicContact CG-CG2 3.9Å; T239-I318 HydrophobicContact CG2-CG2 3.94Å; F266-I318 HydrophobicContact CD1-CD1 3.99Å; F266-I318 HydrophobicContact CE1-CD1 3.99Å; G270-I318 PolarHBondContact O-N 2.8Å; Y272-I318 PolarHBondContact N-O 2.85Å; T316-I318 WeakPolarHBondContact CG2-O 3.49Å; I318-I320 HydrophobicContact CD1-CD1 3.73Å; I318-I320 HydrophobicContact CD1-CG1 3.77Å; I318-I320 HydrophobicContact CG1-CD1 4.15Å; I318-I320 HydrophobicContact CG1-CG1 3.91Å; I318-P339 CarbonylContact C-O 3.54Å; I318-P339 WeakPolarHBondContact CA-O 3.33Å; I318-P339 WeakPolarHBondContact CB-O 3.41Å; I318-P339 HydrophobicContact CG2-CB 4.09Å; I318-L341 HydrophobicContact CD1-CB 4.37Å; I318-L341 HydrophobicContact CD1-CD2 3.96Å
319	L	98.7	Very high	97.1	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.6	168.2	-56.9	177.2	0	0	0	109.3	L274 V282 A301 I304 V312 T316 P339 T340 L341	L274-L319 HydrophobicContact CD1-CB 4.15Å; L274-L319 HydrophobicContact CD2-CB 4.39Å; L274-L319 HydrophobicContact CD2-CD2 4.3Å; L274-L319 HydrophobicContact CG-CB 4.35Å; V282-L319 HydrophobicContact CG2-CD1 4.24Å; A301-L319 HydrophobicContact CB-CD2 4.39Å; A301-L319 HydrophobicContact CB-CG 4.09Å; I304-L319 HydrophobicContact CB-CD1 3.99Å; I304-L319 HydrophobicContact CG2-CD1 3.88Å; V312-L319 HydrophobicContact CG1-CD2 4.17Å; V312-L319 HydrophobicContact CG2-CD2 4.17Å; T316-L319 HydrophobicContact CG2-CD2 4.16Å; L319-P339 PolarHBondContact N-O 2.99Å; L319-T340 HydrophobicContact CB-CG2 4.34Å; L319-T340 CarbonylContact O-C 3.29Å; L319-T340 WeakPolarHBondContact O-CA 3.38Å; L319-L341 PolarHBondContact O-N 3.5Å
320	I	98.7	Very high	97.1	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123.1	-175.7	-54.3	-178.4	0	0	0	109.7	F266 Y272 L273 L274 I318 L341 M343	F266-I320 HydrophobicContact CB-CD1 3.55Å; F266-I320 HydrophobicContact CD1-CD1 3.66Å; F266-I320 HydrophobicContact CD2-CD1 4.09Å; F266-I320 HydrophobicContact CE1-CD1 4.38Å; F266-I320 HydrophobicContact CG-CD1 3.51Å; Y272-I320 PolarHBondContact O-N 3.41Å; L273-I320 HydrophobicContact CD2-CB 3.82Å; L273-I320 HydrophobicContact CD2-CD1 3.97Å; L273-I320 HydrophobicContact CD2-CG1 4.38Å; L273-I320 HydrophobicContact CD2-CG2 3.98Å; L274-I320 WeakPolarHBondContact CB-O 3.14Å; L274-I320 WeakPolarHBondContact CG-O 3.4Å; L274-I320 PolarHBondContact N-O 3.42Å; I318-I320 HydrophobicContact CD1-CD1 3.73Å; I318-I320 HydrophobicContact CD1-CG1 3.77Å; I318-I320 HydrophobicContact CG1-CD1 4.15Å; I318-I320 HydrophobicContact CG1-CG1 3.91Å; I320-L341 VanDerWaalsContact CA-O 3.3Å; I320-L341 WeakPolarHBondContact CA-O 3.34Å; I320-L341 HydrophobicContact CG1-CB 4.44Å; I320-M343 HydrophobicContact CG2-CB 3.64Å; I320-M343 HydrophobicContact CG2-SD 4.34Å
321	G	98	Very high	97	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	118.4	172	0	0	0	0	0	111.2	L279 V323 L341 M343	L279-G321 VanDerWaalsContact CD1-CA 3.5Å; G321-V323 PolarHBondContact O-N 3.22Å; G321-L341 PolarHBondContact N-O 3.3Å; G321-M343 PolarHBondContact O-N 3.49Å
322	E	98.2	Very high	96.9	Very high	63 Å²	63	53.5 Å²	53.5	29%	0.294	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	108.5	171.2	-60.3	-173.6	148.3	0	0	108.8	Y259 R263 M343	Y259-E322 PolarHBondContact OH-OE1 2.57Å; R263-E322 WeakPolarHBondContact CD-OE1 3.31Å; R263-E322 IonicContact CZ-OE1 2.69Å; R263-E322 IonicContact NE-OE1 3.84Å; R263-E322 PolarHBondContact NE-OE1 3.09Å; R263-E322 IonicContact NE-OE2 2.72Å; E322-M343 WeakPolarHBondContact CA-O 3.46Å; E322-M343 HydrophobicContact CG-CE 4.02Å; E322-M343 WeakPolarHBondContact OE1-CE 3.36Å
323	V	97.4	Very high	96.8	Very high	11 Å²	11	52.8 Å²	52.8	7%	0.067	29%	0.286	C	S	.	.			trans	-133.2	158.6	-172.1	-67.6	0	0	0	0	111.3	L279 G321 E330 F332 A342 M343 Y344	L279-V323 HydrophobicContact CD1-CG1 4.33Å; L279-V323 HydrophobicContact CD2-CG1 4.33Å; G321-V323 PolarHBondContact O-N 3.22Å; V323-E330 HydrophobicContact CB-CG 4.41Å; V323-E330 HydrophobicContact CG2-CG 4.47Å; V323-F332 HydrophobicContact CG1-CB 4.37Å; V323-F332 HydrophobicContact CG2-CB 4.27Å; V323-A342 HydrophobicContact CG2-CB 3.94Å; V323-M343 PolarHBondContact N-O 3.38Å; V323-Y344 HydrophobicContact CB-CE1 4.39Å; V323-Y344 HydrophobicContact CG2-CD1 4.16Å; V323-Y344 HydrophobicContact CG2-CE1 3.56Å; V323-Y344 HydrophobicContact CG2-CE2 4.23Å; V323-Y344 WeakPolarHBondContact O-CD1 3.43Å
324	T	96.9	Very high	96.7	Very high	123 Å²	123	51.4 Å²	51.4	76%	0.755	27%	0.273	S	S	*	.			trans	-117.5	-27.3	-177.1	56	0	0	0	0	113.6
325	V	96.8	Very high	96.6	Very high	51 Å²	51	46 Å²	46	31%	0.309	25%	0.248	S	C	.	.			trans	-80.8	126.2	-176.4	178.4	0	0	0	0	109.9	D327 E330 Y344	V325-D327 VanDerWaalsContact CG1-OD1 3.32Å; V325-D327 WeakPolarHBondContact CG1-OD1 3.1Å; V325-E330 HydrophobicContact CB-CB 3.96Å; V325-E330 HydrophobicContact CB-CG 4.37Å; V325-E330 HydrophobicContact CG1-CB 3.88Å; V325-E330 WeakPolarHBondContact O-CG 3.41Å; V325-Y344 VanDerWaalsContact O-CE1 3.29Å; V325-Y344 WeakPolarHBondContact O-CE1 3.28Å; V325-Y344 PolarHBondContact O-OH 2.93Å; V325-Y344 VanDerWaalsContact O-OH 3.1Å
326	V	95.6	Very high	96.5	Very high	28 Å²	28	39.9 Å²	39.9	17%	0.17	22%	0.215	C	C	.	.			trans	-111.6	24.6	-175.5	-64.1	0	0	0	0	112.6	Y344 K355 K358 L359 M362	V326-Y344 HydrophobicContact CG1-CD1 3.75Å; V326-Y344 HydrophobicContact CG1-CE1 3.48Å; V326-Y344 VanDerWaalsContact CG1-CE1 3.48Å; V326-Y344 HydrophobicContact CG1-CG 4.49Å; V326-K355 HydrophobicContact CG1-CB 4.45Å; V326-K355 HydrophobicContact CG1-CG 4.45Å; V326-K358 HydrophobicContact CG2-CB 4.25Å; V326-K358 HydrophobicContact CG2-CD 4.05Å; V326-L359 HydrophobicContact CB-CD2 3.99Å; V326-L359 HydrophobicContact CB-CG 4.21Å; V326-L359 HydrophobicContact CG1-CD1 4.45Å; V326-L359 HydrophobicContact CG1-CD2 4.17Å; V326-L359 HydrophobicContact CG1-CG 4.26Å; V326-M362 WeakPolarHBondContact O-CE 3.32Å
327	D	94.7	Very high	96.4	Very high	82 Å²	82	40.3 Å²	40.3	44%	0.439	22%	0.217	S	C	.	.	S	Bend	trans	-118	178.1	-178.4	68.4	42.2	0	0	0	112.3	V325 S329 E330 M362	V325-D327 VanDerWaalsContact CG1-OD1 3.32Å; V325-D327 WeakPolarHBondContact CG1-OD1 3.1Å; D327-S329 PolarHBondContact O-N 2.71Å; D327-S329 VanDerWaalsContact O-N 3.1Å; D327-S329 WeakPolarHBondContact OD1-CB 3.12Å; D327-S329 PolarHBondContact OD1-N 2.77Å; D327-S329 PolarHBondContact OD1-OG 2.77Å; D327-E330 PolarHBondContact O-N 3Å; D327-M362 VanDerWaalsContact CA-CE 3.41Å; D327-M362 WeakPolarHBondContact O-CE 3.38Å
328	E	92.8	Very high	96.4	Very high	141 Å²	141	35.2 Å²	35.2	66%	0.659	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.1	-174.8	-66.9	-180	-177.5	0	0	114.2	E330 H334 M362	E328-E330 PolarHBondContact O-N 2.76Å; E328-H334 PolarHBondContact O-NE2 3.28Å; E328-M362 HydrophobicContact CB-SD 4.32Å; E328-M362 HydrophobicContact CG-CG 3.53Å; E328-M362 HydrophobicContact CG-SD 3.84Å
329	S	94.8	Very high	96.3	Very high	93 Å²	93	35.2 Å²	35.2	65%	0.65	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-17.5	179.5	73	0	0	0	0	113.2	D327 P331	D327-S329 PolarHBondContact O-N 2.71Å; D327-S329 VanDerWaalsContact O-N 3.1Å; D327-S329 WeakPolarHBondContact OD1-CB 3.12Å; D327-S329 PolarHBondContact OD1-N 2.77Å; D327-S329 PolarHBondContact OD1-OG 2.77Å; S329-P331 WeakPolarHBondContact O-CD 3.47Å
330	E	96.3	Very high	96.3	Very high	21 Å²	21	35.2 Å²	35.2	10%	0.098	19%	0.194	C	C	.	.			trans	-98.4	107.7	-178.1	179.4	54.6	-105.5	0	0	110.8	Q283 V323 V325 D327 E328 F332 A333 H334	Q283-E330 VanDerWaalsContact NE2-CD 3.33Å; Q283-E330 PolarHBondContact NE2-OE1 3.5Å; Q283-E330 PolarHBondContact NE2-OE2 2.96Å; V323-E330 HydrophobicContact CB-CG 4.41Å; V323-E330 HydrophobicContact CG2-CG 4.47Å; V325-E330 HydrophobicContact CB-CB 3.96Å; V325-E330 HydrophobicContact CB-CG 4.37Å; V325-E330 HydrophobicContact CG1-CB 3.88Å; V325-E330 WeakPolarHBondContact O-CG 3.41Å; D327-E330 PolarHBondContact O-N 3Å; E328-E330 PolarHBondContact O-N 2.76Å; E330-F332 HydrophobicContact CG-CB 4.3Å; E330-F332 PolarHBondContact O-N 3.4Å; E330-F332 VanDerWaalsContact O-N 3.12Å; E330-F332 PolarHBondContact OE1-N 3.06Å; E330-A333 HydrophobicContact CB-CB 4.05Å; E330-A333 HydrophobicContact CG-CB 4.18Å; E330-A333 VanDerWaalsContact O-CB 3.27Å; E330-A333 WeakPolarHBondContact O-CB 3.33Å; E330-A333 PolarHBondContact O-N 3.22Å; E330-H334 PolarHBondContact O-CD2 3.36Å
331	P	95.7	Very high	96.3	Very high	23 Å²	23	35.2 Å²	35.2	15%	0.149	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-56.4	-31.5	-180	-28.6	38.1	0	0	0	113.7	Q283 I286 L287 S329 A333 H334	Q283-P331 HydrophobicContact CB-CB 4.35Å; Q283-P331 HydrophobicContact CB-CG 4.12Å; Q283-P331 HydrophobicContact CG-CG 4.49Å; Q283-P331 WeakPolarHBondContact O-CB 3.47Å; I286-P331 HydrophobicContact CB-CB 4.06Å; I286-P331 HydrophobicContact CD1-CB 4.49Å; I286-P331 HydrophobicContact CG2-CB 4.12Å; L287-P331 HydrophobicContact CD1-CB 4.04Å; L287-P331 HydrophobicContact CD1-CG 4.21Å; L287-P331 HydrophobicContact CG-CB 4.02Å; S329-P331 WeakPolarHBondContact O-CD 3.47Å; P331-A333 PolarHBondContact O-N 3.19Å; P331-H334 PolarHBondContact O-N 2.79Å
332	F	95.9	Very high	96.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-68.4	-19.8	176	-97.4	-91.9	0	0	0	113.5	L274 L279 V282 Q283 I286 V323 E330 K336 L341 A342	L274-F332 HydrophobicContact CD1-CE2 4.21Å; L274-F332 HydrophobicContact CD1-CZ 3.63Å; L279-F332 HydrophobicContact CD1-CD2 4.19Å; L279-F332 HydrophobicContact CD1-CE2 3.86Å; L279-F332 HydrophobicContact CD1-CZ 4.4Å; V282-F332 HydrophobicContact CB-CE2 4.2Å; V282-F332 HydrophobicContact CB-CZ 4.38Å; V282-F332 HydrophobicContact CG1-CE2 3.78Å; V282-F332 HydrophobicContact CG1-CZ 3.68Å; Q283-F332 HydrophobicContact CG-CD2 3.57Å; Q283-F332 HydrophobicContact CG-CE2 3.93Å; I286-F332 HydrophobicContact CD1-CD1 4.45Å; I286-F332 HydrophobicContact CD1-CD2 3.57Å; I286-F332 HydrophobicContact CD1-CE1 4.38Å; I286-F332 HydrophobicContact CD1-CE2 3.48Å; I286-F332 VanDerWaalsContact CD1-CE2 3.48Å; I286-F332 HydrophobicContact CD1-CG 4.08Å; I286-F332 HydrophobicContact CD1-CZ 3.92Å; V323-F332 HydrophobicContact CG1-CB 4.37Å; V323-F332 HydrophobicContact CG2-CB 4.27Å; E330-F332 HydrophobicContact CG-CB 4.3Å; E330-F332 PolarHBondContact O-N 3.4Å; E330-F332 VanDerWaalsContact O-N 3.12Å; E330-F332 PolarHBondContact OE1-N 3.06Å; F332-K336 HydrophobicContact CD1-CD 4.4Å; F332-K336 PolarHBondContact O-NZ 3.04Å; F332-L341 WeakPolarHBondContact CE1-O 3.46Å; F332-A342 HydrophobicContact CB-CB 3.97Å; F332-A342 HydrophobicContact CD1-CB 4.06Å; F332-A342 HydrophobicContact CG-CB 4.5Å; F332-A342 WeakPolarHBondContact O-CB 3.17Å
333	A	95.6	Very high	96.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-79	-15	179	0	0	0	0	0	114	N216 E330 P331 Y344 L359 M362	N216-A333 PolarHBondContact ND2-O 2.85Å; N216-A333 PolarHBondContact OD1-O 3.21Å; E330-A333 HydrophobicContact CB-CB 4.05Å; E330-A333 HydrophobicContact CG-CB 4.18Å; E330-A333 VanDerWaalsContact O-CB 3.27Å; E330-A333 WeakPolarHBondContact O-CB 3.33Å; E330-A333 PolarHBondContact O-N 3.22Å; P331-A333 PolarHBondContact O-N 3.19Å; A333-Y344 WeakPolarHBondContact CB-OH 3.39Å; A333-L359 HydrophobicContact CB-CD2 3.84Å; A333-M362 HydrophobicContact CB-CE 3.79Å; A333-M362 HydrophobicContact CB-SD 4.26Å
334	H	94.8	Very high	96.4	Very high	40 Å²	40	31.8 Å²	31.8	19%	0.185	18%	0.178	C	C	.	.	S	Bend	trans	-82.4	171.7	-178.9	-69.4	-92.9	0	0	0	113.6	N216 E328 E330 P331 K336	N216-H334 PolarHBondContact OD1-O 3.36Å; E328-H334 PolarHBondContact O-NE2 3.28Å; E330-H334 PolarHBondContact O-CD2 3.36Å; P331-H334 PolarHBondContact O-N 2.79Å; H334-K336 WeakPolarHBondContact O-CG 3.14Å; H334-K336 PolarHBondContact O-N 3.33Å; H334-K336 PolarHBondContact O-NZ 3.08Å
335	E	95.1	Very high	96.5	Very high	41 Å²	41	31.9 Å²	31.9	19%	0.192	16%	0.164	C	C	.	.			trans	-65	124.3	162.8	-177	-179.3	-133.6	0	0	109.8	A214 G215 L337	A214-E335 WeakPolarHBondContact CB-OE2 3.19Å; G215-E335 PolarHBondContact N-OE1 2.89Å; G215-E335 WeakPolarHBondContact O-CB 3.38Å; G215-E335 WeakPolarHBondContact O-CG 3.42Å; G215-E335 VanDerWaalsContact O-OE1 3.05Å; E335-L337 HydrophobicContact CG-CD2 4.03Å; E335-L337 HydrophobicContact CG-CG 3.93Å
336	K	95.4	Very high	96.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.15	C	C	.	.			trans	-114.5	-16.1	-171.9	-67.4	172	-61.5	-66.7	0	115.1	Q250 I286 F332 H334 S338 T340	Q250-K336 PolarHBondContact O-NZ 2.99Å; I286-K336 HydrophobicContact CD1-CD 3.83Å; I286-K336 HydrophobicContact CG1-CD 4.43Å; I286-K336 HydrophobicContact CG2-CD 4.2Å; I286-K336 HydrophobicContact CG2-CG 3.83Å; F332-K336 HydrophobicContact CD1-CD 4.4Å; F332-K336 PolarHBondContact O-NZ 3.04Å; H334-K336 WeakPolarHBondContact O-CG 3.14Å; H334-K336 PolarHBondContact O-N 3.33Å; H334-K336 PolarHBondContact O-NZ 3.08Å; K336-S338 WeakPolarHBondContact O-CB 3.33Å; K336-S338 PolarHBondContact O-N 2.97Å; K336-S338 PolarHBondContact O-OG 3.31Å; K336-T340 WeakPolarHBondContact CB-OG1 3.48Å; K336-T340 VanDerWaalsContact CD-OG1 3.29Å; K336-T340 WeakPolarHBondContact CD-OG1 3.38Å; K336-T340 WeakPolarHBondContact CE-O 3.41Å; K336-T340 WeakPolarHBondContact CE-OG1 3.43Å
337	L	96.4	Very high	96.7	Very high	22 Å²	22	36.3 Å²	36.3	12%	0.115	18%	0.177	C	C	.	.			trans	39.9	36.7	-178.9	-59.2	177.3	0	0	0	114.7	T114 G243 L292 V297 G298 E335	T114-L337 HydrophobicContact CG2-CD1 4.42Å; G243-L337 CarbonylContact O-C 3.59Å; G243-L337 VanDerWaalsContact O-C 3.29Å; G243-L337 VanDerWaalsContact O-CA 3.26Å; G243-L337 WeakPolarHBondContact O-CA 3.39Å; L292-L337 HydrophobicContact CD2-CB 4.05Å; L292-L337 HydrophobicContact CD2-CD1 4.19Å; L292-L337 HydrophobicContact CD2-CG 4.15Å; V297-L337 WeakPolarHBondContact CA-O 3.42Å; V297-L337 HydrophobicContact CG1-CB 3.93Å; V297-L337 HydrophobicContact CG1-CD1 4.47Å; V297-L337 HydrophobicContact CG2-CB 4.41Å; G298-L337 PolarHBondContact N-O 3.32Å; E335-L337 HydrophobicContact CG-CD2 4.03Å; E335-L337 HydrophobicContact CG-CG 3.93Å
338	S	97.5	Very high	96.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-145.8	165.3	-175	69.4	0	0	0	0	108.5	K238 N242 I296 K336 T340	K238-S338 WeakPolarHBondContact CE-O 3.27Å; K238-S338 PolarHBondContact NZ-O 3.41Å; N242-S338 CarbonylContact O-C 3.48Å; N242-S338 WeakPolarHBondContact O-CA 3.49Å; I296-S338 WeakPolarHBondContact O-CB 3.45Å; K336-S338 WeakPolarHBondContact O-CB 3.33Å; K336-S338 PolarHBondContact O-N 2.97Å; K336-S338 PolarHBondContact O-OG 3.31Å; S338-T340 PolarHBondContact O-N 2.98Å; S338-T340 PolarHBondContact OG-OG1 3.44Å
339	P	98.1	Very high	97.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-75.3	47.2	175.4	33.2	-37	0	0	0	112.1	N242 Q299 A301 I304 K317 I318 L319	N242-P339 VanDerWaalsContact O-CD 3.32Å; N242-P339 WeakPolarHBondContact O-CD 3.44Å; Q299-P339 WeakPolarHBondContact O-CD 3.32Å; Q299-P339 WeakPolarHBondContact O-CG 3.33Å; A301-P339 HydrophobicContact CB-CG 4.15Å; I304-P339 HydrophobicContact CD1-CG 4.05Å; K317-P339 WeakPolarHBondContact O-CB 3.4Å; I318-P339 CarbonylContact C-O 3.54Å; I318-P339 WeakPolarHBondContact CA-O 3.33Å; I318-P339 WeakPolarHBondContact CB-O 3.41Å; I318-P339 HydrophobicContact CG2-CB 4.09Å; L319-P339 PolarHBondContact N-O 2.99Å
340	T	98.2	Very high	97.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	138.8	171.1	56.1	0	0	0	0	109.8	K238 V282 I304 L319 K336 S338	K238-T340 WeakPolarHBondContact CE-O 3.45Å; V282-T340 HydrophobicContact CG1-CG2 4.33Å; I304-T340 HydrophobicContact CD1-CG2 4.05Å; I304-T340 HydrophobicContact CG2-CG2 4.24Å; L319-T340 HydrophobicContact CB-CG2 4.34Å; L319-T340 CarbonylContact O-C 3.29Å; L319-T340 WeakPolarHBondContact O-CA 3.38Å; K336-T340 WeakPolarHBondContact CB-OG1 3.48Å; K336-T340 VanDerWaalsContact CD-OG1 3.29Å; K336-T340 WeakPolarHBondContact CD-OG1 3.38Å; K336-T340 WeakPolarHBondContact CE-O 3.41Å; K336-T340 WeakPolarHBondContact CE-OG1 3.43Å; S338-T340 PolarHBondContact O-N 2.98Å; S338-T340 PolarHBondContact OG-OG1 3.44Å
341	L	98.4	Very high	97.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	129.7	-174.7	-171.2	74.3	0	0	0	110.4	V234 E249 V252 F266 I318 L319 I320 G321 F332	V234-L341 HydrophobicContact CG1-CD1 4.36Å; V234-L341 HydrophobicContact CG1-CD2 3.74Å; E249-L341 HydrophobicContact CB-CD1 4.23Å; V252-L341 HydrophobicContact CG1-CD1 4.38Å; V252-L341 HydrophobicContact CG1-CD2 3.83Å; V252-L341 HydrophobicContact CG1-CG 4.42Å; V252-L341 HydrophobicContact CG2-CD2 4.16Å; F266-L341 HydrophobicContact CE1-CD2 4.23Å; F266-L341 HydrophobicContact CZ-CD2 4.05Å; I318-L341 HydrophobicContact CD1-CB 4.37Å; I318-L341 HydrophobicContact CD1-CD2 3.96Å; L319-L341 PolarHBondContact O-N 3.5Å; I320-L341 VanDerWaalsContact CA-O 3.3Å; I320-L341 WeakPolarHBondContact CA-O 3.34Å; I320-L341 HydrophobicContact CG1-CB 4.44Å; G321-L341 PolarHBondContact N-O 3.3Å; F332-L341 WeakPolarHBondContact CE1-O 3.46Å
342	A	98.4	Very high	97.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	135.8	169.6	0	0	0	0	0	109.6	Q250 S251 V252 V323 F332 Y344	Q250-A342 PolarHBondContact O-N 3.13Å; S251-A342 CarbonylContact C-O 3.58Å; S251-A342 VanDerWaalsContact CA-O 3.3Å; S251-A342 WeakPolarHBondContact CA-O 3.41Å; V252-A342 WeakPolarHBondContact CG2-O 3.39Å; V252-A342 PolarHBondContact N-O 3.13Å; V323-A342 HydrophobicContact CG2-CB 3.94Å; F332-A342 HydrophobicContact CB-CB 3.97Å; F332-A342 HydrophobicContact CD1-CB 4.06Å; F332-A342 HydrophobicContact CG-CB 4.5Å; F332-A342 WeakPolarHBondContact O-CB 3.17Å; A342-Y344 HydrophobicContact CB-CD2 4.22Å; A342-Y344 HydrophobicContact CB-CE2 3.55Å
343	M	98.7	Very high	97.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	111.8	172.7	-174.3	159.9	95.7	0	0	109.9	V252 Y259 R263 F266 I320 G321 E322 V323	V252-M343 HydrophobicContact CG2-CB 3.74Å; V252-M343 HydrophobicContact CG2-CG 3.62Å; V252-M343 HydrophobicContact CG2-SD 4.24Å; Y259-M343 HydrophobicContact CE1-CE 3.82Å; Y259-M343 HydrophobicContact CE2-CE 3.99Å; Y259-M343 HydrophobicContact CE2-CG 3.9Å; Y259-M343 VanDerWaalsContact CZ-CE 3.44Å; Y259-M343 VanDerWaalsContact OH-CE 3.28Å; Y259-M343 WeakPolarHBondContact OH-CE 3.43Å; R263-M343 HydrophobicContact CB-CE 3.62Å; R263-M343 HydrophobicContact CG-CE 3.8Å; F266-M343 HydrophobicContact CD2-SD 4.22Å; F266-M343 HydrophobicContact CE2-SD 4.49Å; I320-M343 HydrophobicContact CG2-CB 3.64Å; I320-M343 HydrophobicContact CG2-SD 4.34Å; G321-M343 PolarHBondContact O-N 3.49Å; E322-M343 WeakPolarHBondContact CA-O 3.46Å; E322-M343 HydrophobicContact CG-CE 4.02Å; E322-M343 WeakPolarHBondContact OE1-CE 3.36Å; V323-M343 PolarHBondContact N-O 3.38Å
344	Y	98.6	Very high	97.8	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.008	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	142.6	178.9	-65.9	-82.7	0	0	0	110.8	V252 V253 V254 V323 V325 V326 A333 A342 L359	V252-Y344 PolarHBondContact O-N 3.36Å; V253-Y344 HydrophobicContact CG2-CD2 4.24Å; V254-Y344 PolarHBondContact N-O 3.01Å; V323-Y344 HydrophobicContact CB-CE1 4.39Å; V323-Y344 HydrophobicContact CG2-CD1 4.16Å; V323-Y344 HydrophobicContact CG2-CE1 3.56Å; V323-Y344 HydrophobicContact CG2-CE2 4.23Å; V323-Y344 WeakPolarHBondContact O-CD1 3.43Å; V325-Y344 VanDerWaalsContact O-CE1 3.29Å; V325-Y344 WeakPolarHBondContact O-CE1 3.28Å; V325-Y344 PolarHBondContact O-OH 2.93Å; V325-Y344 VanDerWaalsContact O-OH 3.1Å; V326-Y344 HydrophobicContact CG1-CD1 3.75Å; V326-Y344 HydrophobicContact CG1-CE1 3.48Å; V326-Y344 VanDerWaalsContact CG1-CE1 3.48Å; V326-Y344 HydrophobicContact CG1-CG 4.49Å; A333-Y344 WeakPolarHBondContact CB-OH 3.39Å; A342-Y344 HydrophobicContact CB-CD2 4.22Å; A342-Y344 HydrophobicContact CB-CE2 3.55Å; Y344-L359 HydrophobicContact CD2-CD1 3.86Å; Y344-L359 HydrophobicContact CE2-CD1 3.65Å; Y344-L359 HydrophobicContact CE2-CD2 3.89Å; Y344-L359 HydrophobicContact CE2-CG 4.42Å
345	R	98.6	Very high	98	Very high	125 Å²	125	35.1 Å²	35.1	47%	0.472	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	123.8	172.6	-164.6	170.3	-169.6	-88.9	16.8	109.7	D256 Y259	D256-R345 IonicContact OD1-CZ 3.67Å; D256-R345 IonicContact OD1-NE 3.93Å; D256-R345 IonicContact OD1-NH1 3.93Å; D256-R345 PolarHBondContact OD1-NH1 3.42Å; D256-R345 IonicContact OD1-NH2 2.93Å; D256-R345 PolarHBondContact OD1-NH2 3.41Å; D256-R345 IonicContact OD2-CZ 2.83Å; D256-R345 IonicContact OD2-NH1 2.78Å; D256-R345 PolarHBondContact OD2-NH1 2.97Å; D256-R345 IonicContact OD2-NH2 2.62Å; D256-R345 PolarHBondContact OD2-NH2 2.8Å; Y259-R345 HydrophobicContact CD2-CB 3.8Å; Y259-R345 HydrophobicContact CD2-CG 3.67Å; Y259-R345 HydrophobicContact CE2-CB 3.61Å; Y259-R345 HydrophobicContact CE2-CG 3.97Å; Y259-R345 HydrophobicContact CG-CG 4.05Å
346	A	98.6	Very high	98.2	Very high	2 Å²	2	33.1 Å²	33.1	2%	0.017	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	154	174.1	0	0	0	0	0	110.8	V253 V254 V255 D256 D351 A352 K355	V253-A346 HydrophobicContact CG1-CB 3.9Å; V254-A346 PolarHBondContact O-N 2.94Å; V255-A346 CarbonylContact C-O 3.59Å; V255-A346 WeakPolarHBondContact CA-O 3.45Å; D256-A346 PolarHBondContact N-O 3.3Å; A346-D351 VanDerWaalsContact CA-OD2 3.27Å; A346-D351 WeakPolarHBondContact CA-OD2 3.38Å; A346-D351 HydrophobicContact CB-CB 4.41Å; A346-A352 HydrophobicContact CB-CB 3.62Å; A346-K355 HydrophobicContact CB-CD 4.27Å
347	K	98.4	Very high	98.3	Very high	171 Å²	171	35 Å²	35	74%	0.743	16%	0.159	S	C	*	.	S	Bend	trans	-70.4	-45.7	179.6	-64.8	-179.5	-177.8	176.8	0	112	D351	K347-D351 HydrophobicContact CB-CB 4.42Å; K347-D351 PolarHBondContact N-OD2 3Å
348	D	98.6	Very high	98.3	Very high	80 Å²	80	38.7 Å²	38.7	43%	0.428	17%	0.174	S	C	.	.	S	Bend	trans	-151.7	-177	-176.6	56	36.5	0	0	0	109.9	V255 E350 D351 A352	V255-D348 VanDerWaalsContact CG1-C 3.42Å; V255-D348 WeakPolarHBondContact CG1-O 3.41Å; D348-E350 PolarHBondContact O-N 3.15Å; D348-E350 PolarHBondContact OD1-N 3.21Å; D348-E350 VanDerWaalsContact OD1-N 3.15Å; D348-D351 PolarHBondContact OD1-N 3.49Å; D348-A352 WeakPolarHBondContact O-CB 3.09Å; D348-A352 PolarHBondContact O-N 2.82Å
349	F	98.6	Very high	98.3	Very high	12 Å²	12	38.7 Å²	38.7	5%	0.053	17%	0.174	C	C	.	.	H	α-helix	trans	-59.7	-41.6	-179.3	176.6	-104.6	0	0	0	112.8	V220 D222 A352 V353 L371 R381 Y384 F385	V220-F349 HydrophobicContact CG1-CD2 4.1Å; V220-F349 HydrophobicContact CG1-CE2 4.19Å; D222-F349 HydrophobicContact CB-CD2 3.97Å; F349-A352 WeakPolarHBondContact O-CB 3.42Å; F349-A352 PolarHBondContact O-N 3.01Å; F349-V353 HydrophobicContact CD1-CG2 4.38Å; F349-V353 HydrophobicContact CD2-CG2 4.27Å; F349-V353 HydrophobicContact CE1-CG2 3.96Å; F349-V353 HydrophobicContact CE2-CG2 3.82Å; F349-V353 HydrophobicContact CZ-CG2 3.65Å; F349-V353 WeakPolarHBondContact O-CG2 3.31Å; F349-V353 PolarHBondContact O-N 2.94Å; F349-L371 HydrophobicContact CD2-CD1 4.45Å; F349-L371 HydrophobicContact CE2-CD1 3.67Å; F349-L371 HydrophobicContact CE2-CD2 4.02Å; F349-L371 HydrophobicContact CZ-CD2 4.2Å; F349-R381 HydrophobicContact CD1-CB 4.4Å; F349-R381 HydrophobicContact CD1-CG 3.99Å; F349-R381 HydrophobicContact CE1-CB 3.78Å; F349-R381 HydrophobicContact CE1-CG 3.83Å; F349-R381 HydrophobicContact CE2-CB 4.11Å; F349-R381 HydrophobicContact CE2-CG 4.48Å; F349-R381 HydrophobicContact CG-CG 4.37Å; F349-R381 HydrophobicContact CZ-CB 3.61Å; F349-R381 HydrophobicContact CZ-CG 4.1Å; F349-R381 WeakPolarHBondContact CZ-O 3.38Å; F349-Y384 HydrophobicContact CD1-CD1 4.45Å; F349-Y384 AromaticContact CE1-CD1 3.66Å; F349-Y384 HydrophobicContact CE1-CD1 3.66Å; F349-Y384 HydrophobicContact CE1-CE1 4.42Å; F349-Y384 HydrophobicContact CE1-CG 4.2Å; F349-Y384 HydrophobicContact CZ-CD1 4.37Å; F349-F385 HydrophobicContact CZ-CB 4.26Å; F349-F385 HydrophobicContact CZ-CD2 4.41Å
350	E	98.5	Very high	98.2	Very high	118 Å²	118	38.8 Å²	38.8	55%	0.551	18%	0.175	S	C	*	.	H	α-helix	trans	-68.5	-43.8	-176.9	-65	-172.5	176.8	0	0	111.7	D348 A352 V353 E354 Y384	D348-E350 PolarHBondContact O-N 3.15Å; D348-E350 PolarHBondContact OD1-N 3.21Å; D348-E350 VanDerWaalsContact OD1-N 3.15Å; E350-A352 VanDerWaalsContact C-N 3.27Å; E350-A352 PolarHBondContact O-N 3.42Å; E350-V353 PolarHBondContact O-N 3.06Å; E350-E354 PolarHBondContact O-N 2.62Å; E350-Y384 HydrophobicContact CG-CE1 4.49Å
351	D	98.6	Very high	98	Very high	33 Å²	33	41.6 Å²	41.6	18%	0.176	20%	0.198	C	C	.	.	H	α-helix	trans	-61.2	-37.4	172.2	178.2	44.8	0	0	0	111.1	A346 K347 D348 E354 K355	A346-D351 VanDerWaalsContact CA-OD2 3.27Å; A346-D351 WeakPolarHBondContact CA-OD2 3.38Å; A346-D351 HydrophobicContact CB-CB 4.41Å; K347-D351 HydrophobicContact CB-CB 4.42Å; K347-D351 PolarHBondContact N-OD2 3Å; D348-D351 PolarHBondContact OD1-N 3.49Å; D351-E354 PolarHBondContact O-N 3.41Å; D351-K355 VanDerWaalsContact CG-CE 3.5Å; D351-K355 WeakPolarHBondContact O-CG 3.39Å; D351-K355 PolarHBondContact O-N 3.23Å; D351-K355 VanDerWaalsContact OD1-CE 3.22Å; D351-K355 WeakPolarHBondContact OD1-CE 3.29Å; D351-K355 IonicContact OD1-NZ 2.77Å; D351-K355 PolarHBondContact OD1-NZ 3.45Å; D351-K355 WeakPolarHBondContact OD2-CE 3.25Å; D351-K355 IonicContact OD2-NZ 3.2Å
352	A	98.7	Very high	97.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.1	-43.8	176.6	0	0	0	0	0	112.2	V220 V253 V255 A346 D348 F349 E350 K355 A356	V220-A352 HydrophobicContact CG1-CB 3.78Å; V220-A352 HydrophobicContact CG2-CB 4.16Å; V253-A352 HydrophobicContact CB-CB 4.49Å; V253-A352 HydrophobicContact CG1-CB 3.76Å; V255-A352 HydrophobicContact CG1-CB 4.13Å; A346-A352 HydrophobicContact CB-CB 3.62Å; D348-A352 WeakPolarHBondContact O-CB 3.09Å; D348-A352 PolarHBondContact O-N 2.82Å; F349-A352 WeakPolarHBondContact O-CB 3.42Å; F349-A352 PolarHBondContact O-N 3.01Å; E350-A352 VanDerWaalsContact C-N 3.27Å; E350-A352 PolarHBondContact O-N 3.42Å; A352-K355 PolarHBondContact O-N 3.28Å; A352-A356 WeakPolarHBondContact O-CB 3.38Å; A352-A356 PolarHBondContact O-N 2.81Å
353	V	98.6	Very high	96.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67.7	-39.5	176.8	179.7	0	0	0	0	111.5	V220 F349 E350 K355 A356 E357 Y384 F385 K388 M389	V220-V353 HydrophobicContact CG2-CG2 4.5Å; F349-V353 HydrophobicContact CD1-CG2 4.38Å; F349-V353 HydrophobicContact CD2-CG2 4.27Å; F349-V353 HydrophobicContact CE1-CG2 3.96Å; F349-V353 HydrophobicContact CE2-CG2 3.82Å; F349-V353 HydrophobicContact CZ-CG2 3.65Å; F349-V353 WeakPolarHBondContact O-CG2 3.31Å; F349-V353 PolarHBondContact O-N 2.94Å; E350-V353 PolarHBondContact O-N 3.06Å; V353-K355 VanDerWaalsContact C-N 3.34Å; V353-K355 PolarHBondContact O-N 2.93Å; V353-A356 PolarHBondContact O-N 3.18Å; V353-E357 PolarHBondContact O-N 3.22Å; V353-Y384 HydrophobicContact CB-CD1 4.46Å; V353-Y384 HydrophobicContact CB-CE1 3.99Å; V353-Y384 HydrophobicContact CG1-CD1 4.27Å; V353-Y384 HydrophobicContact CG1-CE1 3.91Å; V353-Y384 HydrophobicContact CG2-CD1 4.29Å; V353-Y384 HydrophobicContact CG2-CE1 4.27Å; V353-F385 HydrophobicContact CG1-CD2 4.24Å; V353-F385 HydrophobicContact CG2-CD2 3.58Å; V353-F385 HydrophobicContact CG2-CE2 4.09Å; V353-K388 HydrophobicContact CG1-CB 4.02Å; V353-K388 HydrophobicContact CG1-CG 3.69Å; V353-M389 HydrophobicContact CG1-CG 4.42Å; V353-M389 HydrophobicContact CG1-SD 4.24Å
354	E	98.2	Very high	96.6	Very high	87 Å²	87	45.1 Å²	45.1	41%	0.407	22%	0.224	S	C	.	.	H	α-helix	trans	-61.5	-43	175.8	-166.9	-164.4	149.1	0	0	111.6	E350 D351 E357 K358	E350-E354 PolarHBondContact O-N 2.62Å; D351-E354 PolarHBondContact O-N 3.41Å; E354-E357 PolarHBondContact O-N 3.24Å; E354-K358 WeakPolarHBondContact O-CG 3.48Å; E354-K358 PolarHBondContact O-N 2.99Å; E354-K358 VanDerWaalsContact O-N 3.11Å; E354-K358 VanDerWaalsContact OE1-CE 3.27Å; E354-K358 WeakPolarHBondContact OE1-CE 3.29Å; E354-K358 IonicContact OE1-NZ 3.89Å; E354-K358 PolarHBondContact OE1-NZ 3.41Å
355	K	98.4	Very high	96.4	Very high	44 Å²	44	47.5 Å²	47.5	19%	0.191	24%	0.236	C	C	.	.	H	α-helix	trans	-63.5	-44.3	173.7	-71.1	176.7	-161.5	-60.5	0	111.6	V253 V326 A346 D351 A352 V353 E357 K358 L359	V253-K355 HydrophobicContact CG1-CB 4.09Å; V253-K355 HydrophobicContact CG1-CD 4.07Å; V326-K355 HydrophobicContact CG1-CB 4.45Å; V326-K355 HydrophobicContact CG1-CG 4.45Å; A346-K355 HydrophobicContact CB-CD 4.27Å; D351-K355 VanDerWaalsContact CG-CE 3.5Å; D351-K355 WeakPolarHBondContact O-CG 3.39Å; D351-K355 PolarHBondContact O-N 3.23Å; D351-K355 VanDerWaalsContact OD1-CE 3.22Å; D351-K355 WeakPolarHBondContact OD1-CE 3.29Å; D351-K355 IonicContact OD1-NZ 2.77Å; D351-K355 PolarHBondContact OD1-NZ 3.45Å; D351-K355 WeakPolarHBondContact OD2-CE 3.25Å; D351-K355 IonicContact OD2-NZ 3.2Å; A352-K355 PolarHBondContact O-N 3.28Å; V353-K355 VanDerWaalsContact C-N 3.34Å; V353-K355 PolarHBondContact O-N 2.93Å; K355-E357 VanDerWaalsContact C-N 3.32Å; K355-E357 PolarHBondContact O-N 2.94Å; K355-K358 PolarHBondContact O-N 3.42Å; K355-L359 VanDerWaalsContact O-CG 3.31Å; K355-L359 WeakPolarHBondContact O-CG 3.21Å; K355-L359 PolarHBondContact O-N 2.9Å
356	A	98.3	Very high	96.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.5	-41.1	177	0	0	0	0	0	111.9	P218 V220 A352 V353 K358 L359 V360 M389	P218-A356 HydrophobicContact CB-CB 3.81Å; P218-A356 HydrophobicContact CG-CB 3.89Å; V220-A356 HydrophobicContact CG2-CB 3.88Å; A352-A356 WeakPolarHBondContact O-CB 3.38Å; A352-A356 PolarHBondContact O-N 2.81Å; V353-A356 PolarHBondContact O-N 3.18Å; A356-K358 PolarHBondContact O-N 2.95Å; A356-L359 PolarHBondContact O-N 2.8Å; A356-V360 PolarHBondContact O-N 3.11Å; A356-M389 HydrophobicContact CB-CE 3.96Å; A356-M389 HydrophobicContact CB-SD 4.04Å
357	E	97.8	Very high	96.2	Very high	40 Å²	40	41.5 Å²	41.5	19%	0.187	21%	0.213	C	C	.	.	H	α-helix	trans	-60.5	-44.2	175.1	-172.8	-176	-171.1	0	0	111.2	V353 E354 K355 V360 A361 K388 M389 K390	V353-E357 PolarHBondContact O-N 3.22Å; E354-E357 PolarHBondContact O-N 3.24Å; K355-E357 VanDerWaalsContact C-N 3.32Å; K355-E357 PolarHBondContact O-N 2.94Å; E357-V360 VanDerWaalsContact O-CG1 3.31Å; E357-V360 WeakPolarHBondContact O-CG1 3.47Å; E357-V360 PolarHBondContact O-N 2.98Å; E357-A361 VanDerWaalsContact O-CB 3.27Å; E357-A361 WeakPolarHBondContact O-CB 3.31Å; E357-A361 PolarHBondContact O-N 2.74Å; E357-K388 WeakPolarHBondContact OE2-CE 3.47Å; E357-K388 IonicContact OE2-NZ 2.57Å; E357-K388 PolarHBondContact OE2-NZ 3.24Å; E357-M389 HydrophobicContact CB-SD 4.13Å; E357-K390 IonicContact OE1-NZ 3.78Å
358	K	97.4	Very high	96.2	Very high	99 Å²	99	33.3 Å²	33.3	43%	0.43	18%	0.178	S	C	.	.	H	α-helix	trans	-63	-45	177.4	-72.1	174.1	-174.8	168.7	0	112.2	V326 E354 K355 A356 A361 M362	V326-K358 HydrophobicContact CG2-CB 4.25Å; V326-K358 HydrophobicContact CG2-CD 4.05Å; E354-K358 WeakPolarHBondContact O-CG 3.48Å; E354-K358 PolarHBondContact O-N 2.99Å; E354-K358 VanDerWaalsContact O-N 3.11Å; E354-K358 VanDerWaalsContact OE1-CE 3.27Å; E354-K358 WeakPolarHBondContact OE1-CE 3.29Å; E354-K358 IonicContact OE1-NZ 3.89Å; E354-K358 PolarHBondContact OE1-NZ 3.41Å; K355-K358 PolarHBondContact O-N 3.42Å; A356-K358 PolarHBondContact O-N 2.95Å; K358-A361 PolarHBondContact O-N 3.03Å; K358-M362 PolarHBondContact O-N 3.26Å
359	L	96.7	Very high	96.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.1	-45.7	178.5	-69.8	165	0	0	0	111.5	N216 V253 V326 A333 Y344 K355 A356 A361 M362	N216-L359 PolarHBondContact ND2-O 2.92Å; V253-L359 HydrophobicContact CG2-CD1 3.93Å; V326-L359 HydrophobicContact CB-CD2 3.99Å; V326-L359 HydrophobicContact CB-CG 4.21Å; V326-L359 HydrophobicContact CG1-CD1 4.45Å; V326-L359 HydrophobicContact CG1-CD2 4.17Å; V326-L359 HydrophobicContact CG1-CG 4.26Å; A333-L359 HydrophobicContact CB-CD2 3.84Å; Y344-L359 HydrophobicContact CD2-CD1 3.86Å; Y344-L359 HydrophobicContact CE2-CD1 3.65Å; Y344-L359 HydrophobicContact CE2-CD2 3.89Å; Y344-L359 HydrophobicContact CE2-CG 4.42Å; K355-L359 VanDerWaalsContact O-CG 3.31Å; K355-L359 WeakPolarHBondContact O-CG 3.21Å; K355-L359 PolarHBondContact O-N 2.9Å; A356-L359 PolarHBondContact O-N 2.8Å; L359-A361 VanDerWaalsContact C-N 3.34Å; L359-A361 PolarHBondContact O-N 2.83Å; L359-M362 HydrophobicContact CD2-CE 4.49Å; L359-M362 PolarHBondContact O-N 2.88Å
360	V	96	Very high	96.2	Very high	2 Å²	2	29 Å²	29	1%	0.012	16%	0.155	C	C	.	.	H	α-helix	trans	-68.2	-36.5	179.7	80.9	0	0	0	0	111.6	P218 A356 E357 M362 G363 G364 I365 M389 T391	P218-V360 HydrophobicContact CG-CB 4.22Å; A356-V360 PolarHBondContact O-N 3.11Å; E357-V360 VanDerWaalsContact O-CG1 3.31Å; E357-V360 WeakPolarHBondContact O-CG1 3.47Å; E357-V360 PolarHBondContact O-N 2.98Å; V360-M362 PolarHBondContact O-N 2.88Å; V360-G363 PolarHBondContact O-N 2.82Å; V360-G364 WeakPolarHBondContact CG2-O 3.44Å; V360-G364 CarbonylContact O-C 3.56Å; V360-G364 VanDerWaalsContact O-C 3.25Å; V360-G364 WeakPolarHBondContact O-CA 3.41Å; V360-G364 PolarHBondContact O-N 3.33Å; V360-I365 WeakPolarHBondContact O-CA 3.27Å; V360-I365 PolarHBondContact O-N 2.94Å; V360-M389 HydrophobicContact CB-CE 4.19Å; V360-M389 HydrophobicContact CG1-CE 3.75Å; V360-T391 HydrophobicContact CG1-CG2 4.47Å; V360-T391 HydrophobicContact CG2-CG2 3.55Å
361	A	95.2	Very high	96.2	Very high	58 Å²	58	23.3 Å²	23.3	48%	0.479	13%	0.129	S	C	.	.	H	α-helix	trans	-61.9	-27.6	178.4	0	0	0	0	0	113.7	E357 K358 L359	E357-A361 VanDerWaalsContact O-CB 3.27Å; E357-A361 WeakPolarHBondContact O-CB 3.31Å; E357-A361 PolarHBondContact O-N 2.74Å; K358-A361 PolarHBondContact O-N 3.03Å; L359-A361 VanDerWaalsContact C-N 3.34Å; L359-A361 PolarHBondContact O-N 2.83Å
362	M	89.6	Confident	96.2	Very high	40 Å²	40	21.8 Å²	21.8	20%	0.197	12%	0.12	C	C	.	.	H	α-helix	trans	-72.2	-37.3	-177.3	-169.7	-166.6	-44.2	0	0	114	V326 D327 E328 A333 K358 L359 V360	V326-M362 WeakPolarHBondContact O-CE 3.32Å; D327-M362 VanDerWaalsContact CA-CE 3.41Å; D327-M362 WeakPolarHBondContact O-CE 3.38Å; E328-M362 HydrophobicContact CB-SD 4.32Å; E328-M362 HydrophobicContact CG-CG 3.53Å; E328-M362 HydrophobicContact CG-SD 3.84Å; A333-M362 HydrophobicContact CB-CE 3.79Å; A333-M362 HydrophobicContact CB-SD 4.26Å; K358-M362 PolarHBondContact O-N 3.26Å; L359-M362 HydrophobicContact CD2-CE 4.49Å; L359-M362 PolarHBondContact O-N 2.88Å; V360-M362 PolarHBondContact O-N 2.88Å
363	G	83.9	Confident	96.2	Very high	34 Å²	34	21.9 Å²	21.9	35%	0.351	12%	0.121	S	C	.	.	H	α-helix	trans	-162.9	5.4	-171	0	0	0	0	0	116.1	V360	V360-G363 PolarHBondContact O-N 2.82Å
364	G	92.1	Very high	96.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.5	12	-178	0	0	0	0	0	114.2	V360 G366 H367	V360-G364 WeakPolarHBondContact CG2-O 3.44Å; V360-G364 CarbonylContact O-C 3.56Å; V360-G364 VanDerWaalsContact O-C 3.25Å; V360-G364 WeakPolarHBondContact O-CA 3.41Å; V360-G364 PolarHBondContact O-N 3.33Å; G364-G366 PolarHBondContact O-N 3.17Å; G364-H367 WeakPolarHBondContact O-CB 3.46Å; G364-H367 PolarHBondContact O-N 3.11Å
365	I	94.5	Very high	96.2	Very high	52 Å²	52	24.8 Å²	24.8	27%	0.267	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	130.2	-165.3	-161.4	179.7	0	0	0	110.3	V360 H367 K390 W424	V360-I365 WeakPolarHBondContact O-CA 3.27Å; V360-I365 PolarHBondContact O-N 2.94Å; I365-H367 PolarHBondContact O-N 3.13Å; I365-K390 HydrophobicContact CG1-CB 4.48Å; I365-W424 HydrophobicContact CD1-CB 3.99Å; I365-W424 HydrophobicContact CG1-CB 3.87Å; I365-W424 HydrophobicContact CG2-CB 4.34Å; I365-W424 VanDerWaalsContact CG2-O 3.31Å; I365-W424 WeakPolarHBondContact CG2-O 3.34Å
366	G	95.9	Very high	96.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	80.4	-11.7	-178.7	0	0	0	0	0	115.4	G364 K390 A392 C421	G364-G366 PolarHBondContact O-N 3.17Å; G366-K390 WeakPolarHBondContact CA-O 3.46Å; G366-K390 PolarHBondContact N-O 3.37Å; G366-A392 VanDerWaalsContact O-CB 3.24Å; G366-A392 WeakPolarHBondContact O-CB 2.92Å; G366-A392 PolarHBondContact O-N 3.11Å; G366-C421 CarbonylContact C-O 3.55Å; G366-C421 WeakPolarHBondContact CA-O 3.4Å; G366-C421 CarbonylContact O-C 3.49Å; G366-C421 VanDerWaalsContact O-CA 3.29Å; G366-C421 WeakPolarHBondContact O-CA 3.34Å
367	H	96.6	Very high	96.2	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-87.7	-175	-164.3	-64.3	0	0	0	112.4	G213 C246 G364 I365 R393 C421	G213-H367 PolarHBondContact O-CD2 2.81Å; C246-H367 PolarHBondContact SG-NE2 3.48Å; G364-H367 WeakPolarHBondContact O-CB 3.46Å; G364-H367 PolarHBondContact O-N 3.11Å; I365-H367 PolarHBondContact O-N 3.13Å; H367-R393 VanDerWaalsContact O-CZ 3.24Å; H367-R393 PolarHBondContact O-N 3.04Å; H367-R393 PolarHBondContact O-NE 3.23Å; H367-R393 VanDerWaalsContact O-NE 3.09Å; H367-R393 PolarHBondContact O-NH2 3.15Å; H367-C421 PolarHBondContact CD2-SG 3.04Å
368	T	98.2	Very high	96.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	145.8	-176.5	-55.9	0	0	0	0	109.7	T217 R393 L395	T217-T368 WeakPolarHBondContact CA-O 3.38Å; T217-T368 HydrophobicContact CG2-CG2 4.02Å; T368-R393 CarbonylContact C-O 3.53Å; T368-R393 VanDerWaalsContact CA-O 3.3Å; T368-R393 WeakPolarHBondContact CA-O 3.34Å; T368-R393 HydrophobicContact CG2-CB 4.04Å; T368-R393 PolarHBondContact OG1-NE 3.4Å; T368-L395 HydrophobicContact CG2-CD1 3.48Å; T368-L395 VanDerWaalsContact CG2-CD1 3.48Å; T368-L395 HydrophobicContact CG2-CG 3.81Å
369	S	98.5	Very high	96.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	156	165.5	60.2	0	0	0	0	109.9	F385 T391 R393 I394 L395	S369-F385 VanDerWaalsContact OG-CE1 3.29Å; S369-F385 WeakPolarHBondContact OG-CE1 3.29Å; S369-T391 PolarHBondContact OG-OG1 3.48Å; S369-R393 PolarHBondContact N-O 3.04Å; S369-I394 CarbonylContact O-C 3.52Å; S369-I394 WeakPolarHBondContact O-CA 3.24Å; S369-L395 PolarHBondContact O-N 3.25Å
370	C	98.7	Very high	96.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150.3	-177.6	-54.5	0	0	0	0	111.6	P218 V219 V220 F385 L395 A400	P218-C370 PolarHBondContact O-N 3.26Å; V219-C370 CarbonylContact C-O 3.47Å; V219-C370 VanDerWaalsContact CA-O 3.32Å; V219-C370 WeakPolarHBondContact CA-O 3.24Å; V219-C370 HydrophobicContact CB-CB 3.78Å; V219-C370 HydrophobicContact CG2-CB 3.69Å; V220-C370 PolarHBondContact N-O 2.88Å; C370-F385 VanDerWaalsContact O-CZ 3.25Å; C370-F385 WeakPolarHBondContact O-CZ 3.44Å; C370-L395 CarbonylContact C-O 2.95Å; C370-L395 WeakPolarHBondContact CA-O 3.15Å; C370-L395 HydrophobicContact CB-CB 4.28Å; C370-A400 VanDerWaalsContact SG-CB 3.5Å
371	L	98.8	Very high	96.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	125.3	173.2	170.6	60.3	0	0	0	109.5	V220 F349 T373 F385 L395 I396 N397	V220-L371 HydrophobicContact CB-CD1 3.89Å; V220-L371 HydrophobicContact CG1-CD1 3.79Å; V220-L371 CarbonylContact O-C 3.25Å; V220-L371 WeakPolarHBondContact O-CA 3.43Å; F349-L371 HydrophobicContact CD2-CD1 4.45Å; F349-L371 HydrophobicContact CE2-CD1 3.67Å; F349-L371 HydrophobicContact CE2-CD2 4.02Å; F349-L371 HydrophobicContact CZ-CD2 4.2Å; L371-T373 HydrophobicContact CD1-CG2 4.41Å; L371-T373 HydrophobicContact CD2-CG2 3.77Å; L371-T373 HydrophobicContact CG-CG2 3.77Å; L371-F385 HydrophobicContact CB-CD1 4.1Å; L371-F385 HydrophobicContact CB-CD2 4.21Å; L371-F385 HydrophobicContact CB-CE1 4.09Å; L371-F385 HydrophobicContact CB-CE2 4.25Å; L371-F385 HydrophobicContact CB-CG 4.15Å; L371-F385 HydrophobicContact CB-CZ 4.17Å; L371-F385 HydrophobicContact CD2-CB 3.87Å; L371-F385 HydrophobicContact CD2-CD2 4.21Å; L371-F385 HydrophobicContact CD2-CG 3.97Å; L371-L395 PolarHBondContact N-O 3.24Å; L371-I396 HydrophobicContact CB-CD1 3.79Å; L371-I396 HydrophobicContact CD2-CD1 4.08Å; L371-I396 HydrophobicContact CG-CD1 4.31Å; L371-I396 CarbonylContact O-C 3.51Å; L371-I396 WeakPolarHBondContact O-CA 3.16Å; L371-N397 PolarHBondContact O-N 3.23Å
372	Y	98.9	Very high	96.6	Very high	1 Å²	1	38.8 Å²	38.8	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	121	162.9	-72.3	-93.2	0	0	0	108.9	V219 V220 I221 D222 A225 A230 S233 N397 T398	V219-Y372 HydrophobicContact CG2-CD2 3.43Å; V219-Y372 VanDerWaalsContact CG2-CD2 3.43Å; V219-Y372 HydrophobicContact CG2-CE2 3.69Å; V220-Y372 PolarHBondContact O-N 3.34Å; I221-Y372 HydrophobicContact CG1-CD2 4.5Å; D222-Y372 PolarHBondContact N-O 2.9Å; D222-Y372 VanDerWaalsContact N-O 3.11Å; A225-Y372 WeakPolarHBondContact CB-O 3.44Å; A230-Y372 HydrophobicContact CB-CD1 3.66Å; A230-Y372 HydrophobicContact CB-CD2 4.23Å; A230-Y372 HydrophobicContact CB-CE1 4.25Å; A230-Y372 HydrophobicContact CB-CG 3.66Å; S233-Y372 WeakPolarHBondContact CB-OH 3.41Å; S233-Y372 PolarHBondContact OG-OH 3.5Å; Y372-N397 WeakPolarHBondContact CA-OD1 3.45Å; Y372-N397 HydrophobicContact CD1-CB 4.38Å; Y372-N397 VanDerWaalsContact CD1-OD1 3.27Å; Y372-N397 WeakPolarHBondContact CD1-OD1 3.28Å; Y372-N397 HydrophobicContact CE1-CB 4.49Å; Y372-T398 PolarHBondContact OH-O 3.37Å
373	T	98.7	Very high	97	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.012	24%	0.237	C	C	.	.	S	Bend	trans	-157	171.1	-176.3	-179.5	0	0	0	0	108	D222 T224 L371 Q375 Q378 V382 I396 N397	D222-T373 WeakPolarHBondContact OD1-CA 3.45Å; D222-T373 WeakPolarHBondContact OD2-CB 3.08Å; D222-T373 PolarHBondContact OD2-OG1 2.91Å; T224-T373 PolarHBondContact OG1-OG1 3.23Å; T224-T373 VanDerWaalsContact OG1-OG1 3.08Å; L371-T373 HydrophobicContact CD1-CG2 4.41Å; L371-T373 HydrophobicContact CD2-CG2 3.77Å; L371-T373 HydrophobicContact CG-CG2 3.77Å; T373-Q375 PolarHBondContact O-N 3.11Å; T373-Q378 WeakPolarHBondContact OG1-CB 3.35Å; T373-V382 HydrophobicContact CG2-CG2 4.13Å; T373-I396 HydrophobicContact CG2-CG2 4.26Å; T373-N397 PolarHBondContact N-OD1 2.94Å; T373-N397 PolarHBondContact O-ND2 2.82Å; T373-N397 PolarHBondContact O-OD1 2.81Å
374	D	98.4	Very high	97.7	Very high	51 Å²	51	42.8 Å²	42.8	27%	0.273	24%	0.236	S	C	.	.			trans	-65	102.7	159.4	-168.7	-39.7	0	0	0	109.5	T224 D376 N377 Q378	T224-D374 PolarHBondContact OG1-N 2.81Å; D374-D376 PolarHBondContact O-N 2.87Å; D374-D376 PolarHBondContact OD1-N 3.15Å; D374-N377 HydrophobicContact CB-CB 4.36Å; D374-N377 PolarHBondContact OD1-N 3.26Å; D374-N377 PolarHBondContact OD1-ND2 2.87Å; D374-N377 PolarHBondContact OD2-ND2 3.14Å; D374-Q378 HydrophobicContact CB-CG 4.23Å; D374-Q378 VanDerWaalsContact O-CB 3.3Å; D374-Q378 WeakPolarHBondContact O-CB 3.21Å; D374-Q378 PolarHBondContact O-N 2.98Å
375	Q	97.4	Very high	98	Very high	96 Å²	96	42.8 Å²	42.8	45%	0.449	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-27.6	-174.6	176.8	179.3	-66.9	0	0	112.5	T373 I396 N397	T373-Q375 PolarHBondContact O-N 3.11Å; Q375-I396 HydrophobicContact CB-CG2 4.01Å; Q375-I396 HydrophobicContact CG-CG2 3.88Å; Q375-N397 WeakPolarHBondContact CB-ND2 3.5Å
376	D	97.8	Very high	98.2	Very high	128 Å²	128	41.8 Å²	41.8	68%	0.684	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-35.1	-170.6	-57.6	-39.7	0	0	0	111.1	D374	D374-D376 PolarHBondContact O-N 2.87Å; D374-D376 PolarHBondContact OD1-N 3.15Å
377	N	98.3	Very high	98.3	Very high	121 Å²	121	50.1 Å²	50.1	65%	0.647	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-9.4	-177.8	-58.1	-54.2	0	0	0	114.3	D374 P379	D374-N377 HydrophobicContact CB-CB 4.36Å; D374-N377 PolarHBondContact OD1-N 3.26Å; D374-N377 PolarHBondContact OD1-ND2 2.87Å; D374-N377 PolarHBondContact OD2-ND2 3.14Å; N377-P379 WeakPolarHBondContact O-CD 3.28Å
378	Q	98.3	Very high	98.3	Very high	57 Å²	57	53.9 Å²	53.9	27%	0.266	29%	0.294	S	S	.	.			trans	-118.2	51	175.4	-62.4	-68.4	-16.2	0	0	113.8	T224 T373 D374 A380 R381 V382	T224-Q378 HydrophobicContact CG2-CG 4.08Å; T373-Q378 WeakPolarHBondContact OG1-CB 3.35Å; D374-Q378 HydrophobicContact CB-CG 4.23Å; D374-Q378 VanDerWaalsContact O-CB 3.3Å; D374-Q378 WeakPolarHBondContact O-CB 3.21Å; D374-Q378 PolarHBondContact O-N 2.98Å; Q378-A380 PolarHBondContact O-N 2.8Å; Q378-R381 HydrophobicContact CB-CB 4.09Å; Q378-R381 HydrophobicContact CB-CG 4.11Å; Q378-R381 PolarHBondContact O-N 3.18Å; Q378-V382 PolarHBondContact O-N 2.82Å
379	P	97.9	Very high	98.3	Very high	77 Å²	77	54.2 Å²	54.2	50%	0.5	30%	0.295	S	S	.	.	H	α-helix	trans	-63.4	-25.7	179.4	28.3	-35.9	0	0	0	112.8	N377 V382 S383	N377-P379 WeakPolarHBondContact O-CD 3.28Å; P379-V382 PolarHBondContact O-N 3.4Å; P379-S383 WeakPolarHBondContact O-CB 3.32Å; P379-S383 PolarHBondContact O-N 3.38Å; P379-S383 PolarHBondContact O-OG 3.05Å
380	A	98.4	Very high	98.3	Very high	72 Å²	72	58.7 Å²	58.7	60%	0.595	32%	0.315	S	S	*	.	H	α-helix	trans	-64.7	-38.3	173.7	0	0	0	0	0	111.9	Q378 S383 Y384	Q378-A380 PolarHBondContact O-N 2.8Å; A380-S383 PolarHBondContact O-N 2.89Å; A380-Y384 WeakPolarHBondContact O-CB 3.43Å; A380-Y384 PolarHBondContact O-N 2.95Å
381	R	98.4	Very high	98.2	Very high	43 Å²	43	59 Å²	59	16%	0.162	32%	0.317	C	S	.	.	H	α-helix	trans	-69.7	-42.9	175.1	-66.7	-168.7	177.9	-179.4	-6	111.8	D222 E223 F349 Q378 S383 Y384 F385	D222-R381 IonicContact OD1-NH1 3.57Å; D222-R381 WeakPolarHBondContact OD2-CD 3.43Å; D222-R381 IonicContact OD2-CZ 3.64Å; D222-R381 IonicContact OD2-NE 3.42Å; D222-R381 IonicContact OD2-NH1 3.65Å; D222-R381 PolarHBondContact OD2-NH1 3.37Å; E223-R381 IonicContact OE1-CZ 3.61Å; E223-R381 IonicContact OE1-NH1 2.67Å; E223-R381 PolarHBondContact OE1-NH1 2.89Å; E223-R381 IonicContact OE1-NH2 2.72Å; E223-R381 PolarHBondContact OE1-NH2 2.79Å; E223-R381 IonicContact OE2-CZ 3.78Å; E223-R381 IonicContact OE2-NH1 2.66Å; E223-R381 PolarHBondContact OE2-NH1 3.28Å; E223-R381 IonicContact OE2-NH2 3.45Å; F349-R381 HydrophobicContact CD1-CB 4.4Å; F349-R381 HydrophobicContact CD1-CG 3.99Å; F349-R381 HydrophobicContact CE1-CB 3.78Å; F349-R381 HydrophobicContact CE1-CG 3.83Å; F349-R381 HydrophobicContact CE2-CB 4.11Å; F349-R381 HydrophobicContact CE2-CG 4.48Å; F349-R381 HydrophobicContact CG-CG 4.37Å; F349-R381 HydrophobicContact CZ-CB 3.61Å; F349-R381 HydrophobicContact CZ-CG 4.1Å; F349-R381 WeakPolarHBondContact CZ-O 3.38Å; Q378-R381 HydrophobicContact CB-CB 4.09Å; Q378-R381 HydrophobicContact CB-CG 4.11Å; Q378-R381 PolarHBondContact O-N 3.18Å; R381-S383 VanDerWaalsContact C-N 3.29Å; R381-S383 PolarHBondContact O-N 3.35Å; R381-Y384 PolarHBondContact O-N 2.62Å; R381-F385 VanDerWaalsContact O-CB 3.28Å; R381-F385 WeakPolarHBondContact O-CB 3.15Å; R381-F385 PolarHBondContact O-N 2.94Å
382	V	98.6	Very high	98.2	Very high	40 Å²	40	60.7 Å²	60.7	24%	0.242	33%	0.33	C	S	.	.	H	α-helix	trans	-57.7	-44.7	172.7	176.2	0	0	0	0	110.6	T373 Q378 P379 F385 G386 I396	T373-V382 HydrophobicContact CG2-CG2 4.13Å; Q378-V382 PolarHBondContact O-N 2.82Å; P379-V382 PolarHBondContact O-N 3.4Å; V382-F385 PolarHBondContact O-N 3.26Å; V382-G386 PolarHBondContact O-N 3.49Å; V382-I396 HydrophobicContact CG1-CD1 4.1Å; V382-I396 HydrophobicContact CG1-CG1 4.05Å; V382-I396 HydrophobicContact CG2-CD1 4.31Å; V382-I396 HydrophobicContact CG2-CG1 4.42Å; V382-I396 HydrophobicContact CG2-CG2 4.23Å
383	S	98.5	Very high	98.2	Very high	73 Å²	73	61 Å²	61	51%	0.51	33%	0.331	S	S	.	.	H	α-helix	trans	-65	-44.7	177.8	-59.6	0	0	0	0	112.3	P379 A380 R381 G386 Q387	P379-S383 WeakPolarHBondContact O-CB 3.32Å; P379-S383 PolarHBondContact O-N 3.38Å; P379-S383 PolarHBondContact O-OG 3.05Å; A380-S383 PolarHBondContact O-N 2.89Å; R381-S383 VanDerWaalsContact C-N 3.29Å; R381-S383 PolarHBondContact O-N 3.35Å; S383-G386 PolarHBondContact O-N 3.07Å; S383-Q387 WeakPolarHBondContact O-CB 3.35Å; S383-Q387 WeakPolarHBondContact O-CG 3Å; S383-Q387 PolarHBondContact O-N 3.14Å
384	Y	98.7	Very high	98.1	Very high	84 Å²	84	63.6 Å²	63.6	33%	0.329	35%	0.345	S	S	.	.	H	α-helix	trans	-60.5	-49.5	176.3	-176	-87.7	0	0	0	111	F349 E350 V353 A380 R381 G386 Q387 K388	F349-Y384 HydrophobicContact CD1-CD1 4.45Å; F349-Y384 AromaticContact CE1-CD1 3.66Å; F349-Y384 HydrophobicContact CE1-CD1 3.66Å; F349-Y384 HydrophobicContact CE1-CE1 4.42Å; F349-Y384 HydrophobicContact CE1-CG 4.2Å; F349-Y384 HydrophobicContact CZ-CD1 4.37Å; E350-Y384 HydrophobicContact CG-CE1 4.49Å; V353-Y384 HydrophobicContact CB-CD1 4.46Å; V353-Y384 HydrophobicContact CB-CE1 3.99Å; V353-Y384 HydrophobicContact CG1-CD1 4.27Å; V353-Y384 HydrophobicContact CG1-CE1 3.91Å; V353-Y384 HydrophobicContact CG2-CD1 4.29Å; V353-Y384 HydrophobicContact CG2-CE1 4.27Å; A380-Y384 WeakPolarHBondContact O-CB 3.43Å; A380-Y384 PolarHBondContact O-N 2.95Å; R381-Y384 PolarHBondContact O-N 2.62Å; Y384-G386 PolarHBondContact O-N 3.25Å; Y384-Q387 PolarHBondContact O-N 2.81Å; Y384-K388 HydrophobicContact CE1-CB 4.48Å; Y384-K388 HydrophobicContact CE1-CG 4.42Å; Y384-K388 WeakPolarHBondContact O-CB 3.39Å; Y384-K388 PolarHBondContact O-N 3.44Å
385	F	98.7	Very high	98.2	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-59.4	-46.6	178.1	-163.9	-93.7	0	0	0	111.4	V220 F349 V353 S369 C370 L371 R381 V382 K388 M389 I394	V220-F385 HydrophobicContact CB-CE2 4.05Å; V220-F385 HydrophobicContact CG2-CE2 3.73Å; F349-F385 HydrophobicContact CZ-CB 4.26Å; F349-F385 HydrophobicContact CZ-CD2 4.41Å; V353-F385 HydrophobicContact CG1-CD2 4.24Å; V353-F385 HydrophobicContact CG2-CD2 3.58Å; V353-F385 HydrophobicContact CG2-CE2 4.09Å; S369-F385 VanDerWaalsContact OG-CE1 3.29Å; S369-F385 WeakPolarHBondContact OG-CE1 3.29Å; C370-F385 VanDerWaalsContact O-CZ 3.25Å; C370-F385 WeakPolarHBondContact O-CZ 3.44Å; L371-F385 HydrophobicContact CB-CD1 4.1Å; L371-F385 HydrophobicContact CB-CD2 4.21Å; L371-F385 HydrophobicContact CB-CE1 4.09Å; L371-F385 HydrophobicContact CB-CE2 4.25Å; L371-F385 HydrophobicContact CB-CG 4.15Å; L371-F385 HydrophobicContact CB-CZ 4.17Å; L371-F385 HydrophobicContact CD2-CB 3.87Å; L371-F385 HydrophobicContact CD2-CD2 4.21Å; L371-F385 HydrophobicContact CD2-CG 3.97Å; R381-F385 VanDerWaalsContact O-CB 3.28Å; R381-F385 WeakPolarHBondContact O-CB 3.15Å; R381-F385 PolarHBondContact O-N 2.94Å; V382-F385 PolarHBondContact O-N 3.26Å; F385-K388 PolarHBondContact O-N 3.46Å; F385-M389 HydrophobicContact CD1-CB 4.48Å; F385-M389 HydrophobicContact CD1-CG 3.92Å; F385-M389 HydrophobicContact CD2-CG 4.08Å; F385-M389 HydrophobicContact CE1-CB 4.35Å; F385-M389 HydrophobicContact CE1-CG 3.71Å; F385-M389 HydrophobicContact CE2-CG 3.83Å; F385-M389 HydrophobicContact CE2-SD 4.44Å; F385-M389 HydrophobicContact CG-CG 4.11Å; F385-M389 HydrophobicContact CZ-CE 4.46Å; F385-M389 HydrophobicContact CZ-CG 3.66Å; F385-M389 HydrophobicContact CZ-SD 4.44Å; F385-M389 VanDerWaalsContact O-CB 3.29Å; F385-M389 WeakPolarHBondContact O-CB 3.29Å; F385-M389 WeakPolarHBondContact O-CG 3.36Å; F385-M389 PolarHBondContact O-N 3.07Å; F385-I394 HydrophobicContact CD1-CG1 4.48Å; F385-I394 HydrophobicContact CD1-CG2 3.53Å; F385-I394 HydrophobicContact CE1-CG2 3.86Å
386	G	98.1	Very high	98.2	Very high	31 Å²	31	58.4 Å²	58.4	32%	0.32	32%	0.32	S	S	.	.	H	α-helix	trans	-67.5	-35.7	-178.2	0	0	0	0	0	114.5	V382 S383 Y384	V382-G386 PolarHBondContact O-N 3.49Å; S383-G386 PolarHBondContact O-N 3.07Å; Y384-G386 PolarHBondContact O-N 3.25Å
387	Q	98.1	Very high	98.3	Very high	176 Å²	176	53.6 Å²	53.6	82%	0.822	29%	0.294	S	S	*	.	H	α-helix	trans	-76.3	-31	175.4	-71.2	-73.1	9.5	0	0	112.7	S383 Y384	S383-Q387 WeakPolarHBondContact O-CB 3.35Å; S383-Q387 WeakPolarHBondContact O-CG 3Å; S383-Q387 PolarHBondContact O-N 3.14Å; Y384-Q387 PolarHBondContact O-N 2.81Å
388	K	97.9	Very high	98.3	Very high	80 Å²	80	48.8 Å²	48.8	35%	0.348	27%	0.269	S	S	.	.	H	α-helix	trans	-85.4	-43.7	-174.9	-170	67.9	172.8	169.7	0	112.7	V353 E357 Y384 F385 K390	V353-K388 HydrophobicContact CG1-CB 4.02Å; V353-K388 HydrophobicContact CG1-CG 3.69Å; E357-K388 WeakPolarHBondContact OE2-CE 3.47Å; E357-K388 IonicContact OE2-NZ 2.57Å; E357-K388 PolarHBondContact OE2-NZ 3.24Å; Y384-K388 HydrophobicContact CE1-CB 4.48Å; Y384-K388 HydrophobicContact CE1-CG 4.42Å; Y384-K388 WeakPolarHBondContact O-CB 3.39Å; Y384-K388 PolarHBondContact O-N 3.44Å; F385-K388 PolarHBondContact O-N 3.46Å; K388-K390 PolarHBondContact O-N 3.45Å
389	M	98.2	Very high	98.3	Very high	7 Å²	7	46.1 Å²	46.1	3%	0.034	26%	0.256	C	S	.	.			trans	-76.5	119.6	-175.4	-69	-60.1	-70.1	0	0	111.8	P218 V353 A356 E357 V360 F385 T391	P218-M389 HydrophobicContact CG-CE 3.66Å; V353-M389 HydrophobicContact CG1-CG 4.42Å; V353-M389 HydrophobicContact CG1-SD 4.24Å; A356-M389 HydrophobicContact CB-CE 3.96Å; A356-M389 HydrophobicContact CB-SD 4.04Å; E357-M389 HydrophobicContact CB-SD 4.13Å; V360-M389 HydrophobicContact CB-CE 4.19Å; V360-M389 HydrophobicContact CG1-CE 3.75Å; F385-M389 HydrophobicContact CD1-CB 4.48Å; F385-M389 HydrophobicContact CD1-CG 3.92Å; F385-M389 HydrophobicContact CD2-CG 4.08Å; F385-M389 HydrophobicContact CE1-CB 4.35Å; F385-M389 HydrophobicContact CE1-CG 3.71Å; F385-M389 HydrophobicContact CE2-CG 3.83Å; F385-M389 HydrophobicContact CE2-SD 4.44Å; F385-M389 HydrophobicContact CG-CG 4.11Å; F385-M389 HydrophobicContact CZ-CE 4.46Å; F385-M389 HydrophobicContact CZ-CG 3.66Å; F385-M389 HydrophobicContact CZ-SD 4.44Å; F385-M389 VanDerWaalsContact O-CB 3.29Å; F385-M389 WeakPolarHBondContact O-CB 3.29Å; F385-M389 WeakPolarHBondContact O-CG 3.36Å; F385-M389 PolarHBondContact O-N 3.07Å; M389-T391 PolarHBondContact O-N 3.3Å
390	K	97.4	Very high	98.3	Very high	94 Å²	94	42.4 Å²	42.4	41%	0.409	23%	0.233	S	C	.	.			trans	-81	67.3	175.2	-63.4	175.1	-170.4	163.3	0	111	E357 I365 G366 K388 W424	E357-K390 IonicContact OE1-NZ 3.78Å; I365-K390 HydrophobicContact CG1-CB 4.48Å; G366-K390 WeakPolarHBondContact CA-O 3.46Å; G366-K390 PolarHBondContact N-O 3.37Å; K388-K390 PolarHBondContact O-N 3.45Å; K390-W424 HydrophobicContact CB-CD2 4.39Å
391	T	97.8	Very high	98.2	Very high	7 Å²	7	39 Å²	39	4%	0.043	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	137.1	178.1	52.3	0	0	0	0	111.3	V360 S369 M389 R393	V360-T391 HydrophobicContact CG1-CG2 4.47Å; V360-T391 HydrophobicContact CG2-CG2 3.55Å; S369-T391 PolarHBondContact OG-OG1 3.48Å; M389-T391 PolarHBondContact O-N 3.3Å; T391-R393 PolarHBondContact O-N 3.06Å
392	A	97.6	Very high	98.2	Very high	34 Å²	34	37.7 Å²	37.7	28%	0.281	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	-20.3	-179.2	0	0	0	0	0	113.6	G366 G420 S430	G366-A392 VanDerWaalsContact O-CB 3.24Å; G366-A392 WeakPolarHBondContact O-CB 2.92Å; G366-A392 PolarHBondContact O-N 3.11Å; A392-G420 WeakPolarHBondContact CB-O 3.44Å; A392-S430 WeakPolarHBondContact CB-O 3.49Å
393	R	98.3	Very high	98.1	Very high	7 Å²	7	36 Å²	36	3%	0.026	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	117.6	173.5	-70.1	150.2	-72	-79.9	-9	109.5	H367 T368 S369 T391 G420 N432	H367-R393 VanDerWaalsContact O-CZ 3.24Å; H367-R393 PolarHBondContact O-N 3.04Å; H367-R393 PolarHBondContact O-NE 3.23Å; H367-R393 VanDerWaalsContact O-NE 3.09Å; H367-R393 PolarHBondContact O-NH2 3.15Å; T368-R393 CarbonylContact C-O 3.53Å; T368-R393 VanDerWaalsContact CA-O 3.3Å; T368-R393 WeakPolarHBondContact CA-O 3.34Å; T368-R393 HydrophobicContact CG2-CB 4.04Å; T368-R393 PolarHBondContact OG1-NE 3.4Å; S369-R393 PolarHBondContact N-O 3.04Å; T391-R393 PolarHBondContact O-N 3.06Å; R393-G420 VanDerWaalsContact CZ-O 3.27Å; R393-G420 PolarHBondContact NH1-O 3.25Å; R393-G420 PolarHBondContact NH2-O 2.68Å; R393-N432 WeakPolarHBondContact CD-OD1 2.89Å; R393-N432 PolarHBondContact NH1-OD1 3.38Å
394	I	98.5	Very high	98	Very high	58 Å²	58	32.6 Å²	32.6	30%	0.297	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	114.4	170.1	-68.7	133.9	0	0	0	107	S369 F385 I396	S369-I394 CarbonylContact O-C 3.52Å; S369-I394 WeakPolarHBondContact O-CA 3.24Å; F385-I394 HydrophobicContact CD1-CG1 4.48Å; F385-I394 HydrophobicContact CD1-CG2 3.53Å; F385-I394 HydrophobicContact CE1-CG2 3.86Å; I394-I396 HydrophobicContact CG2-CD1 3.73Å; I394-I396 HydrophobicContact CG2-CG1 4.46Å
395	L	98.6	Very high	97.9	Very high	12 Å²	12	28.9 Å²	28.9	6%	0.063	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	106.2	-172.4	-64	-176.4	0	0	0	109.8	T368 S369 C370 L371 T398 A400	T368-L395 HydrophobicContact CG2-CD1 3.48Å; T368-L395 VanDerWaalsContact CG2-CD1 3.48Å; T368-L395 HydrophobicContact CG2-CG 3.81Å; S369-L395 PolarHBondContact O-N 3.25Å; C370-L395 CarbonylContact C-O 2.95Å; C370-L395 WeakPolarHBondContact CA-O 3.15Å; C370-L395 HydrophobicContact CB-CB 4.28Å; L371-L395 PolarHBondContact N-O 3.24Å; L395-T398 WeakPolarHBondContact CB-OG1 3.49Å; L395-A400 HydrophobicContact CD1-CB 4.12Å
396	I	98.7	Very high	97.8	Very high	26 Å²	26	29 Å²	29	13%	0.133	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	124.5	178.1	-49.2	-56.1	0	0	0	109	L371 T373 Q375 V382 I394 T398	L371-I396 HydrophobicContact CB-CD1 3.79Å; L371-I396 HydrophobicContact CD2-CD1 4.08Å; L371-I396 HydrophobicContact CG-CD1 4.31Å; L371-I396 CarbonylContact O-C 3.51Å; L371-I396 WeakPolarHBondContact O-CA 3.16Å; T373-I396 HydrophobicContact CG2-CG2 4.26Å; Q375-I396 HydrophobicContact CB-CG2 4.01Å; Q375-I396 HydrophobicContact CG-CG2 3.88Å; V382-I396 HydrophobicContact CG1-CD1 4.1Å; V382-I396 HydrophobicContact CG1-CG1 4.05Å; V382-I396 HydrophobicContact CG2-CD1 4.31Å; V382-I396 HydrophobicContact CG2-CG1 4.42Å; V382-I396 HydrophobicContact CG2-CG2 4.23Å; I394-I396 HydrophobicContact CG2-CD1 3.73Å; I394-I396 HydrophobicContact CG2-CG1 4.46Å; I396-T398 WeakPolarHBondContact O-CG2 3.33Å; I396-T398 PolarHBondContact O-N 3.25Å
397	N	98.5	Very high	97.8	Very high	27 Å²	27	28.7 Å²	28.7	14%	0.144	14%	0.144	C	C	.	.	S	Bend	trans	52.2	27.3	177.9	-75.2	-31.2	0	0	0	115.6	L371 Y372 T373 Q375	L371-N397 PolarHBondContact O-N 3.23Å; Y372-N397 WeakPolarHBondContact CA-OD1 3.45Å; Y372-N397 HydrophobicContact CD1-CB 4.38Å; Y372-N397 VanDerWaalsContact CD1-OD1 3.27Å; Y372-N397 WeakPolarHBondContact CD1-OD1 3.28Å; Y372-N397 HydrophobicContact CE1-CB 4.49Å; T373-N397 PolarHBondContact N-OD1 2.94Å; T373-N397 PolarHBondContact O-ND2 2.82Å; T373-N397 PolarHBondContact O-OD1 2.81Å; Q375-N397 WeakPolarHBondContact CB-ND2 3.5Å
398	T	98.4	Very high	97.7	Very high	20 Å²	20	22.8 Å²	22.8	12%	0.123	12%	0.118	C	C	.	.	S	Bend	trans	-129.9	139.3	-178	52.7	0	0	0	0	111.4	Y372 L395 I396 Y409	Y372-T398 PolarHBondContact OH-O 3.37Å; L395-T398 WeakPolarHBondContact CB-OG1 3.49Å; I396-T398 WeakPolarHBondContact O-CG2 3.33Å; I396-T398 PolarHBondContact O-N 3.25Å; T398-Y409 VanDerWaalsContact CG2-CB 3.49Å; T398-Y409 HydrophobicContact CG2-CD1 3.94Å; T398-Y409 HydrophobicContact CG2-CG 3.95Å
399	P	98.2	Very high	97.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.12	C	C	.	.			trans	-66.6	136.2	177.7	26.8	-33.5	0	0	0	110.7	M236 S401 Q402 G403 Y409	M236-P399 HydrophobicContact CE-CB 4.41Å; M236-P399 HydrophobicContact CE-CG 3.89Å; P399-S401 PolarHBondContact O-N 2.83Å; P399-Q402 HydrophobicContact CG-CB 4.27Å; P399-Q402 PolarHBondContact O-N 2.96Å; P399-G403 WeakPolarHBondContact O-CA 3.46Å; P399-G403 PolarHBondContact O-N 3.43Å; P399-Y409 HydrophobicContact CG-CD2 4.11Å; P399-Y409 HydrophobicContact CG-CE1 4.14Å; P399-Y409 HydrophobicContact CG-CE2 3.51Å
400	A	98	Very high	97.6	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-68.8	-39.1	-167.1	0	0	0	0	0	114.7	T217 S237 A247 E249 C370 L395 Q402 G404	T217-A400 HydrophobicContact CG2-CB 3.9Å; S237-A400 PolarHBondContact OG-N 2.99Å; A247-A400 WeakPolarHBondContact CB-O 3.32Å; A247-A400 WeakPolarHBondContact O-CB 3.22Å; E249-A400 HydrophobicContact CG-CB 4.09Å; E249-A400 WeakPolarHBondContact OE1-CB 3.29Å; E249-A400 PolarHBondContact OE1-N 3.45Å; E249-A400 WeakPolarHBondContact OE2-CB 3.1Å; C370-A400 VanDerWaalsContact SG-CB 3.5Å; L395-A400 HydrophobicContact CD1-CB 4.12Å; A400-Q402 VanDerWaalsContact C-N 3.35Å; A400-Q402 PolarHBondContact O-N 3.42Å; A400-G404 WeakPolarHBondContact O-CA 3.38Å; A400-G404 PolarHBondContact O-N 2.89Å
401	S	97.1	Very high	97.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.3	-40.4	-179.9	-72	0	0	0	0	112.3	S237 S248 P399	S237-S401 WeakPolarHBondContact O-CB 3.31Å; S237-S401 PolarHBondContact O-OG 2.92Å; S237-S401 WeakPolarHBondContact OG-CB 3.37Å; S237-S401 PolarHBondContact OG-N 3.5Å; S237-S401 PolarHBondContact OG-OG 3.11Å; S237-S401 VanDerWaalsContact OG-OG 3.05Å; S248-S401 WeakPolarHBondContact CA-OG 3.36Å; S248-S401 VanDerWaalsContact CB-OG 3.26Å; S248-S401 WeakPolarHBondContact CB-OG 3.47Å; P399-S401 PolarHBondContact O-N 2.83Å
402	Q	97.5	Very high	97.6	Very high	16 Å²	16	40.3 Å²	40.3	8%	0.075	20%	0.197	C	C	.	.	H	α-helix	trans	-92.6	-31.3	-179.5	-60.6	83.5	-2.8	0	0	112.5	M236 P399 A400 I405 L408 Y409	M236-Q402 PolarHBondContact O-NE2 3.46Å; P399-Q402 HydrophobicContact CG-CB 4.27Å; P399-Q402 PolarHBondContact O-N 2.96Å; A400-Q402 VanDerWaalsContact C-N 3.35Å; A400-Q402 PolarHBondContact O-N 3.42Å; Q402-I405 VanDerWaalsContact O-CG1 3.24Å; Q402-I405 WeakPolarHBondContact O-CG1 3.28Å; Q402-L408 HydrophobicContact CB-CD1 3.94Å; Q402-L408 HydrophobicContact CG-CD1 4.43Å; Q402-Y409 HydrophobicContact CB-CD2 4.02Å; Q402-Y409 HydrophobicContact CB-CE2 3.7Å; Q402-Y409 HydrophobicContact CG-CE2 4.49Å
403	G	97.1	Very high	97.6	Very high	5 Å²	5	41 Å²	41	5%	0.052	20%	0.195	C	C	.	.	H	α-helix	trans	-77.3	-42	179.2	0	0	0	0	0	112.6	P399 I405 G406 L413	P399-G403 WeakPolarHBondContact O-CA 3.46Å; P399-G403 PolarHBondContact O-N 3.43Å; G403-I405 VanDerWaalsContact C-N 3.28Å; G403-I405 PolarHBondContact O-N 3.11Å; G403-G406 PolarHBondContact O-N 2.91Å; G403-L413 WeakPolarHBondContact O-CD2 3.43Å
404	G	96.5	Very high	97.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-30	-176.8	0	0	0	0	0	113.7	A400 G406 L419 N432	A400-G404 WeakPolarHBondContact O-CA 3.38Å; A400-G404 PolarHBondContact O-N 2.89Å; G404-G406 VanDerWaalsContact C-N 3.28Å; G404-G406 PolarHBondContact O-N 3.34Å; G404-L419 WeakPolarHBondContact O-CD2 3.35Å; G404-N432 PolarHBondContact O-ND2 3.35Å
405	I	97.4	Very high	97.6	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.036	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-14	175.5	62.9	175.3	0	0	0	112.9	F71 Q402 G403 L408 P415 S416 L417	F71-I405 HydrophobicContact CD1-CD1 3.91Å; F71-I405 HydrophobicContact CD2-CD1 4.01Å; F71-I405 HydrophobicContact CE1-CB 3.94Å; F71-I405 HydrophobicContact CE1-CD1 3.8Å; F71-I405 HydrophobicContact CE1-CG1 4.08Å; F71-I405 HydrophobicContact CE2-CD1 3.9Å; F71-I405 HydrophobicContact CE2-CG1 4.12Å; F71-I405 HydrophobicContact CG-CD1 4.02Å; F71-I405 HydrophobicContact CZ-CB 3.91Å; F71-I405 HydrophobicContact CZ-CD1 3.79Å; F71-I405 HydrophobicContact CZ-CG1 3.77Å; F71-I405 WeakPolarHBondContact CZ-O 3.44Å; Q402-I405 VanDerWaalsContact O-CG1 3.24Å; Q402-I405 WeakPolarHBondContact O-CG1 3.28Å; G403-I405 VanDerWaalsContact C-N 3.28Å; G403-I405 PolarHBondContact O-N 3.11Å; I405-L408 HydrophobicContact CD1-CD1 4.01Å; I405-L408 HydrophobicContact CG1-CD1 4.44Å; I405-P415 CarbonylContact O-C 3.6Å; I405-P415 WeakPolarHBondContact O-CA 3.4Å; I405-S416 WeakPolarHBondContact CA-O 3.43Å; I405-S416 WeakPolarHBondContact CB-O 3.44Å; I405-S416 PolarHBondContact O-N 3.17Å; I405-L417 HydrophobicContact CB-CD2 4.45Å; I405-L417 HydrophobicContact CG2-CD2 3.79Å
406	G	96.9	Very high	97.5	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.01	19%	0.192	C	C	.	.	S	Bend	trans	90.8	167.6	174.7	0	0	0	0	0	115.5	F71 G403 G404 L408 L413	F71-G406 WeakPolarHBondContact CE2-O 3.4Å; G403-G406 PolarHBondContact O-N 2.91Å; G404-G406 VanDerWaalsContact C-N 3.28Å; G404-G406 PolarHBondContact O-N 3.34Å; G406-L408 PolarHBondContact O-N 2.69Å; G406-L413 WeakPolarHBondContact CA-O 3.45Å
407	D	97.4	Very high	97.4	Very high	25 Å²	25	38.5 Å²	38.5	13%	0.134	19%	0.188	C	C	.	.	S	Bend	trans	61	-32.2	174.7	-157	55.1	0	0	0	118.5	Y75 N410 F411 L413 P415	Y75-D407 HydrophobicContact CD1-CB 3.93Å; Y75-D407 WeakPolarHBondContact CD1-OD2 3.49Å; Y75-D407 HydrophobicContact CE1-CB 4.46Å; Y75-D407 WeakPolarHBondContact CE1-OD2 3.41Å; D407-N410 WeakPolarHBondContact CA-O 3.37Å; D407-N410 PolarHBondContact N-O 2.83Å; D407-F411 WeakPolarHBondContact O-CD1 3.34Å; D407-F411 WeakPolarHBondContact OD1-CA 3.33Å; D407-L413 PolarHBondContact N-O 3.24Å; D407-L413 VanDerWaalsContact N-O 3.11Å; D407-P415 HydrophobicContact CB-CB 4.03Å; D407-P415 HydrophobicContact CB-CG 4.3Å
408	L	96	Very high	97.3	Very high	52 Å²	52	37.2 Å²	37.2	27%	0.272	18%	0.182	S	C	.	.	S	Bend	trans	-66.3	-45.4	-177.1	-71.9	171.4	0	0	0	113.9	F71 Y75 Q402 I405 G406	F71-L408 HydrophobicContact CD2-CD1 4.17Å; F71-L408 HydrophobicContact CD2-CG 4.23Å; F71-L408 HydrophobicContact CE2-CD1 4.29Å; F71-L408 HydrophobicContact CE2-CG 4.14Å; Y75-L408 HydrophobicContact CD1-CD2 4.33Å; Y75-L408 HydrophobicContact CE1-CD2 3.53Å; Y75-L408 HydrophobicContact CE1-CG 4.18Å; Y75-L408 HydrophobicContact CE2-CD2 4.02Å; Y75-L408 VanDerWaalsContact OH-CD2 3.28Å; Y75-L408 WeakPolarHBondContact OH-CD2 3.47Å; Q402-L408 HydrophobicContact CB-CD1 3.94Å; Q402-L408 HydrophobicContact CG-CD1 4.43Å; I405-L408 HydrophobicContact CD1-CD1 4.01Å; I405-L408 HydrophobicContact CG1-CD1 4.44Å; G406-L408 PolarHBondContact O-N 2.69Å
409	Y	97.6	Very high	97.3	Very high	101 Å²	101	36.5 Å²	36.5	40%	0.396	18%	0.177	S	C	.	.	S	Bend	trans	-111	-25	-179	-77.1	-92.9	0	0	0	113	M236 T398 P399 Q402	M236-Y409 WeakPolarHBondContact CE-OH 3.22Å; T398-Y409 VanDerWaalsContact CG2-CB 3.49Å; T398-Y409 HydrophobicContact CG2-CD1 3.94Å; T398-Y409 HydrophobicContact CG2-CG 3.95Å; P399-Y409 HydrophobicContact CG-CD2 4.11Å; P399-Y409 HydrophobicContact CG-CE1 4.14Å; P399-Y409 HydrophobicContact CG-CE2 3.51Å; Q402-Y409 HydrophobicContact CB-CD2 4.02Å; Q402-Y409 HydrophobicContact CB-CE2 3.7Å; Q402-Y409 HydrophobicContact CG-CE2 4.49Å
410	N	97.1	Very high	97.2	Very high	96 Å²	96	36.5 Å²	36.5	51%	0.513	18%	0.177	S	C	.	.			trans	-138.7	104.5	176.2	-171.6	-29	0	0	0	109.4	D407 K412 L413	D407-N410 WeakPolarHBondContact CA-O 3.37Å; D407-N410 PolarHBondContact N-O 2.83Å; N410-K412 PolarHBondContact O-N 3.01Å; N410-K412 PolarHBondContact OD1-N 2.79Å; N410-L413 PolarHBondContact O-N 3.27Å; N410-L413 VanDerWaalsContact O-N 3.17Å
411	F	97	Very high	97.1	Very high	166 Å²	166	36.5 Å²	36.5	73%	0.728	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.3	-172	-51	-78.2	0	0	0	114.4	D407	D407-F411 WeakPolarHBondContact O-CD1 3.34Å; D407-F411 WeakPolarHBondContact OD1-CA 3.33Å
412	K	96.9	Very high	97	Very high	194 Å²	194	36.6 Å²	36.6	84%	0.843	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-13.7	-178.6	-159.8	59.6	174.7	180	0	112.9	N410	N410-K412 PolarHBondContact O-N 3.01Å; N410-K412 PolarHBondContact OD1-N 2.79Å
413	L	97.5	Very high	96.9	Very high	47 Å²	47	40.5 Å²	40.5	25%	0.246	21%	0.207	C	C	.	.	S	Bend	trans	-80.1	120.6	175	-172.7	64.1	0	0	0	109.5	G403 G406 D407 N410	G403-L413 WeakPolarHBondContact O-CD2 3.43Å; G406-L413 WeakPolarHBondContact CA-O 3.45Å; D407-L413 PolarHBondContact N-O 3.24Å; D407-L413 VanDerWaalsContact N-O 3.11Å; N410-L413 PolarHBondContact O-N 3.27Å; N410-L413 VanDerWaalsContact O-N 3.17Å
414	A	98.1	Very high	96.7	Very high	37 Å²	37	46.5 Å²	46.5	31%	0.306	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-57.5	127.4	-174.3	0	0	0	0	0	112.1	S416 N432	A414-S416 PolarHBondContact O-N 3.18Å; A414-N432 HydrophobicContact CB-CB 4.14Å; A414-N432 VanDerWaalsContact O-CB 3.29Å; A414-N432 WeakPolarHBondContact O-CB 3.42Å; A414-N432 PolarHBondContact O-ND2 2.81Å
415	P	98.3	Very high	96.5	Very high	4 Å²	4	47.5 Å²	47.5	3%	0.026	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-69.8	123.8	-179.4	28.2	-33.7	0	0	0	110.7	F71 I76 A79 Y80 I405 D407	F71-P415 HydrophobicContact CE1-CB 4.35Å; F71-P415 HydrophobicContact CE2-CB 4.16Å; F71-P415 HydrophobicContact CZ-CB 3.58Å; I76-P415 HydrophobicContact CD1-CB 3.96Å; I76-P415 HydrophobicContact CD1-CG 4.28Å; I76-P415 WeakPolarHBondContact CD1-O 3.16Å; A79-P415 HydrophobicContact CB-CG 3.43Å; A79-P415 VanDerWaalsContact CB-CG 3.43Å; Y80-P415 PolarHBondContact OH-O 2.67Å; I405-P415 CarbonylContact O-C 3.6Å; I405-P415 WeakPolarHBondContact O-CA 3.4Å; D407-P415 HydrophobicContact CB-CB 4.03Å; D407-P415 HydrophobicContact CB-CG 4.3Å
416	S	98.1	Very high	96.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.262	C	S	.	.			trans	-158.1	154.2	-173.5	-168.3	0	0	0	0	112.9	F122 I405 A414 T418 V433	F122-S416 WeakPolarHBondContact CZ-OG 3.4Å; I405-S416 WeakPolarHBondContact CA-O 3.43Å; I405-S416 WeakPolarHBondContact CB-O 3.44Å; I405-S416 PolarHBondContact O-N 3.17Å; A414-S416 PolarHBondContact O-N 3.18Å; S416-T418 PolarHBondContact OG-N 3.19Å; S416-T418 PolarHBondContact OG-O 3.26Å; S416-V433 VanDerWaalsContact CB-O 3.31Å; S416-V433 WeakPolarHBondContact CB-O 3.19Å; S416-V433 PolarHBondContact OG-N 3.38Å; S416-V433 PolarHBondContact OG-O 2.94Å
417	L	96.2	Very high	96	Very high	10 Å²	10	49.7 Å²	49.7	5%	0.052	26%	0.262	C	S	.	.	S	Bend	trans	-117.4	18.4	170	-66.7	171.2	0	0	0	111.8	F71 A72 S118 F122 I405	F71-L417 HydrophobicContact CD1-CD2 4.47Å; F71-L417 HydrophobicContact CD1-CG 4.44Å; F71-L417 HydrophobicContact CE1-CD2 4.48Å; F71-L417 HydrophobicContact CE1-CG 4.41Å; A72-L417 HydrophobicContact CB-CD1 3.8Å; S118-L417 WeakPolarHBondContact O-CD1 3.49Å; F122-L417 HydrophobicContact CB-CB 4.44Å; F122-L417 HydrophobicContact CB-CD1 4.23Å; F122-L417 HydrophobicContact CD1-CB 4.14Å; F122-L417 HydrophobicContact CG-CB 4.29Å; I405-L417 HydrophobicContact CB-CD2 4.45Å; I405-L417 HydrophobicContact CG2-CD2 3.79Å
418	T	96.8	Very high	95.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.286	C	S	.	.	S	Bend	trans	-134.4	95.1	172.8	-61.6	0	0	0	0	106.7	F122 K123 L191 T193 V212 S416 V433	F122-T418 WeakPolarHBondContact CE1-OG1 3.08Å; K123-T418 WeakPolarHBondContact CE-OG1 3.13Å; L191-T418 HydrophobicContact CD1-CG2 3.97Å; T193-T418 PolarHBondContact OG1-OG1 2.82Å; T193-T418 VanDerWaalsContact OG1-OG1 3.05Å; V212-T418 HydrophobicContact CB-CG2 4.38Å; V212-T418 HydrophobicContact CG1-CG2 3.33Å; V212-T418 HydrophobicContact CG2-CG2 4.08Å; S416-T418 PolarHBondContact OG-N 3.19Å; S416-T418 PolarHBondContact OG-O 3.26Å; T418-V433 HydrophobicContact CG2-CB 4.2Å; T418-V433 HydrophobicContact CG2-CG2 3.84Å; T418-V433 WeakPolarHBondContact O-CB 3.39Å; T418-V433 VanDerWaalsContact O-CG2 3.29Å; T418-V433 WeakPolarHBondContact O-CG2 3.38Å; T418-V433 PolarHBondContact O-N 2.86Å
419	L	96.9	Very high	95.5	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.026	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-97.2	103.1	-168.9	-50.2	-177.1	0	0	0	110.5	V212 A247 G404 C421 N432	V212-L419 WeakPolarHBondContact CB-O 3.25Å; V212-L419 VanDerWaalsContact CG1-C 3.44Å; V212-L419 VanDerWaalsContact CG1-O 3.25Å; V212-L419 WeakPolarHBondContact CG1-O 3.36Å; A247-L419 HydrophobicContact CB-CD1 4.25Å; G404-L419 WeakPolarHBondContact O-CD2 3.35Å; L419-C421 PolarHBondContact O-N 3.29Å; L419-C421 PolarHBondContact O-SG 2.83Å; L419-C421 VanDerWaalsContact O-SG 3.41Å; L419-N432 HydrophobicContact CD2-CB 4.47Å; L419-N432 WeakPolarHBondContact CD2-OD1 3.35Å
420	G	95.9	Very high	95.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.282	C	S	.	.			trans	-60.8	129.4	-179.8	0	0	0	0	0	111.9	A392 R393 I429 E431	A392-G420 WeakPolarHBondContact CB-O 3.44Å; R393-G420 VanDerWaalsContact CZ-O 3.27Å; R393-G420 PolarHBondContact NH1-O 3.25Å; R393-G420 PolarHBondContact NH2-O 2.68Å; G420-I429 CarbonylContact C-O 3.53Å; G420-I429 WeakPolarHBondContact CA-O 3.45Å; G420-E431 WeakPolarHBondContact CA-O 3.11Å; G420-E431 PolarHBondContact N-O 3.27Å
421	C	96.5	Very high	95.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.277	C	S	.	.			trans	-99	8.1	-178.2	-48.3	0	0	0	0	112.6	G213 G366 H367 L419 N427 I429	G213-C421 PolarHBondContact N-SG 3.16Å; G213-C421 VanDerWaalsContact N-SG 3.36Å; G366-C421 CarbonylContact C-O 3.55Å; G366-C421 WeakPolarHBondContact CA-O 3.4Å; G366-C421 CarbonylContact O-C 3.49Å; G366-C421 VanDerWaalsContact O-CA 3.29Å; G366-C421 WeakPolarHBondContact O-CA 3.34Å; H367-C421 PolarHBondContact CD2-SG 3.04Å; L419-C421 PolarHBondContact O-N 3.29Å; L419-C421 PolarHBondContact O-SG 2.83Å; L419-C421 VanDerWaalsContact O-SG 3.41Å; C421-N427 WeakPolarHBondContact CB-ND2 3.32Å; C421-N427 PolarHBondContact N-OD1 2.67Å; C421-I429 PolarHBondContact N-O 2.72Å
422	G	95.2	Very high	95.4	Very high	2 Å²	2	41.8 Å²	41.8	2%	0.021	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	-178.1	-175.2	0	0	0	0	0	113.3	W424 G425 N427 I429	G422-W424 PolarHBondContact O-N 3.41Å; G422-G425 PolarHBondContact O-N 3.46Å; G422-N427 CarbonylContact C-O 3.53Å; G422-N427 PolarHBondContact N-OD1 2.69Å; G422-N427 PolarHBondContact O-N 3.03Å; G422-N427 PolarHBondContact O-OD1 2.85Å; G422-I429 WeakPolarHBondContact CA-O 3.44Å; G422-I429 PolarHBondContact N-O 3.31Å
423	S	94.7	Very high	95.5	Very high	99 Å²	99	32.5 Å²	32.5	69%	0.692	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-61.1	-26.8	-178.6	53	0	0	0	0	112.4	G425 G426 N427	S423-G425 VanDerWaalsContact C-N 3.32Å; S423-G425 PolarHBondContact O-N 3.18Å; S423-G426 PolarHBondContact O-N 3.41Å; S423-G426 VanDerWaalsContact O-N 3.09Å; S423-N427 VanDerWaalsContact CA-O 3.28Å; S423-N427 WeakPolarHBondContact CA-O 3.49Å; S423-N427 PolarHBondContact N-O 3.04Å
424	W	94.2	Very high	95.5	Very high	131 Å²	131	30.4 Å²	30.4	50%	0.496	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-57	-44.2	173.6	-56.4	-63.8	0	0	0	112.4	I365 K390 G422 G426	I365-W424 HydrophobicContact CD1-CB 3.99Å; I365-W424 HydrophobicContact CG1-CB 3.87Å; I365-W424 HydrophobicContact CG2-CB 4.34Å; I365-W424 VanDerWaalsContact CG2-O 3.31Å; I365-W424 WeakPolarHBondContact CG2-O 3.34Å; K390-W424 HydrophobicContact CB-CD2 4.39Å; G422-W424 PolarHBondContact O-N 3.41Å; W424-G426 VanDerWaalsContact C-N 3.25Å; W424-G426 PolarHBondContact O-N 2.87Å
425	G	91.7	Very high	95.5	Very high	21 Å²	21	28.7 Å²	28.7	22%	0.216	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-86.7	15.5	177.6	0	0	0	0	0	114	G422 S423 N427	G422-G425 PolarHBondContact O-N 3.46Å; S423-G425 VanDerWaalsContact C-N 3.32Å; S423-G425 PolarHBondContact O-N 3.18Å; G425-N427 PolarHBondContact O-N 3.18Å; G425-N427 PolarHBondContact O-ND2 3.08Å
426	G	91.4	Very high	95.5	Very high	50 Å²	50	33 Å²	33	52%	0.515	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	25.3	178	0	0	0	0	0	115	S423 W424	S423-G426 PolarHBondContact O-N 3.41Å; S423-G426 VanDerWaalsContact O-N 3.09Å; W424-G426 VanDerWaalsContact C-N 3.25Å; W424-G426 PolarHBondContact O-N 2.87Å
427	N	91.7	Very high	95.5	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	21%	0.205	C	C	.	.			trans	-130.4	154.9	175.2	53.3	83.2	0	0	0	112.5	V199 Y203 G211 C421 G422 S423 G425 I429	V199-N427 HydrophobicContact CG1-CB 4.45Å; Y203-N427 HydrophobicContact CE2-CB 3.74Å; G211-N427 WeakPolarHBondContact O-CB 3.3Å; G211-N427 VanDerWaalsContact O-CG 3.27Å; C421-N427 WeakPolarHBondContact CB-ND2 3.32Å; C421-N427 PolarHBondContact N-OD1 2.67Å; G422-N427 CarbonylContact C-O 3.53Å; G422-N427 PolarHBondContact N-OD1 2.69Å; G422-N427 PolarHBondContact O-N 3.03Å; G422-N427 PolarHBondContact O-OD1 2.85Å; S423-N427 VanDerWaalsContact CA-O 3.28Å; S423-N427 WeakPolarHBondContact CA-O 3.49Å; S423-N427 PolarHBondContact N-O 3.04Å; G425-N427 PolarHBondContact O-N 3.18Å; G425-N427 PolarHBondContact O-ND2 3.08Å; N427-I429 VanDerWaalsContact C-N 3.26Å; N427-I429 PolarHBondContact O-N 3.26Å; N427-I429 PolarHBondContact OD1-O 2.96Å
428	S	88.3	Confident	95.6	Very high	90 Å²	90	34.2 Å²	34.2	63%	0.629	20%	0.203	S	C	*	.	S	Bend	trans	-85.8	8.9	-174.1	60.7	0	0	0	0	113.9	Y203 A209	Y203-S428 PolarHBondContact OH-N 3.25Å; Y203-S428 PolarHBondContact OH-OG 3.26Å; A209-S428 PolarHBondContact O-OG 2.79Å
429	I	94.9	Very high	95.7	Very high	21 Å²	21	35.1 Å²	35.1	11%	0.108	21%	0.208	C	C	.	.			trans	-128.5	123.6	-176.5	-174.3	61.8	0	0	0	110.9	I210 G420 C421 G422 N427 E431 V433	I210-I429 HydrophobicContact CG2-CB 4.48Å; I210-I429 HydrophobicContact CG2-CG2 3.73Å; G420-I429 CarbonylContact C-O 3.53Å; G420-I429 WeakPolarHBondContact CA-O 3.45Å; C421-I429 PolarHBondContact N-O 2.72Å; G422-I429 WeakPolarHBondContact CA-O 3.44Å; G422-I429 PolarHBondContact N-O 3.31Å; N427-I429 VanDerWaalsContact C-N 3.26Å; N427-I429 PolarHBondContact O-N 3.26Å; N427-I429 PolarHBondContact OD1-O 2.96Å; I429-E431 HydrophobicContact CD1-CB 4.08Å; I429-E431 HydrophobicContact CD1-CG 4.43Å; I429-E431 HydrophobicContact CG1-CB 4.42Å; I429-V433 HydrophobicContact CG1-CG2 4.28Å; I429-V433 HydrophobicContact CG2-CG2 4.41Å
430	S	95.5	Very high	95.8	Very high	70 Å²	70	38.7 Å²	38.7	49%	0.49	23%	0.227	S	C	.	.			trans	-105.5	21.8	178.6	58.7	0	0	0	0	112.8	A392	A392-S430 WeakPolarHBondContact CB-O 3.49Å
431	E	97.3	Very high	95.9	Very high	85 Å²	85	45 Å²	45	40%	0.397	25%	0.254	S	S	.	.	S	Bend	trans	-129.3	165.1	-175.5	-59.8	-174.2	-179.3	0	0	111	G420 I429 V433 K436 H437	G420-E431 WeakPolarHBondContact CA-O 3.11Å; G420-E431 PolarHBondContact N-O 3.27Å; I429-E431 HydrophobicContact CD1-CB 4.08Å; I429-E431 HydrophobicContact CD1-CG 4.43Å; I429-E431 HydrophobicContact CG1-CB 4.42Å; E431-V433 PolarHBondContact O-N 2.86Å; E431-K436 IonicContact OE1-NZ 2.72Å; E431-K436 WeakPolarHBondContact OE2-CE 3.47Å; E431-K436 IonicContact OE2-NZ 2.65Å; E431-K436 PolarHBondContact OE2-NZ 2.72Å; E431-H437 IonicContact OE2-CE1 3.46Å; E431-H437 IonicContact OE2-NE2 2.83Å
432	N	97.9	Very high	95.9	Very high	7 Å²	7	49.1 Å²	49.1	4%	0.037	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-66.2	124.9	163.6	-78.2	19.9	0	0	0	109	R393 G404 A414 L419 G434	R393-N432 WeakPolarHBondContact CD-OD1 2.89Å; R393-N432 PolarHBondContact NH1-OD1 3.38Å; G404-N432 PolarHBondContact O-ND2 3.35Å; A414-N432 HydrophobicContact CB-CB 4.14Å; A414-N432 VanDerWaalsContact O-CB 3.29Å; A414-N432 WeakPolarHBondContact O-CB 3.42Å; A414-N432 PolarHBondContact O-ND2 2.81Å; L419-N432 HydrophobicContact CD2-CB 4.47Å; L419-N432 WeakPolarHBondContact CD2-OD1 3.35Å; N432-G434 PolarHBondContact O-N 3.07Å
433	V	98.1	Very high	96.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.297	C	S	.	.			trans	-70.1	134.9	-174.2	177.1	0	0	0	0	110.4	F122 L191 I210 S416 T418 I429 E431 H437	F122-V433 VanDerWaalsContact CZ-O 3.28Å; F122-V433 WeakPolarHBondContact CZ-O 3.16Å; L191-V433 HydrophobicContact CD1-CG1 4.05Å; I210-V433 HydrophobicContact CG2-CG1 4.25Å; I210-V433 HydrophobicContact CG2-CG2 3.44Å; I210-V433 VanDerWaalsContact CG2-CG2 3.44Å; S416-V433 VanDerWaalsContact CB-O 3.31Å; S416-V433 WeakPolarHBondContact CB-O 3.19Å; S416-V433 PolarHBondContact OG-N 3.38Å; S416-V433 PolarHBondContact OG-O 2.94Å; T418-V433 HydrophobicContact CG2-CB 4.2Å; T418-V433 HydrophobicContact CG2-CG2 3.84Å; T418-V433 WeakPolarHBondContact O-CB 3.39Å; T418-V433 VanDerWaalsContact O-CG2 3.29Å; T418-V433 WeakPolarHBondContact O-CG2 3.38Å; T418-V433 PolarHBondContact O-N 2.86Å; I429-V433 HydrophobicContact CG1-CG2 4.28Å; I429-V433 HydrophobicContact CG2-CG2 4.41Å; E431-V433 PolarHBondContact O-N 2.86Å; V433-H437 WeakPolarHBondContact CA-ND1 3.28Å; V433-H437 HydrophobicContact CG1-CB 4.44Å
434	G	98.2	Very high	96.3	Very high	3 Å²	3	51.9 Å²	51.9	3%	0.031	28%	0.284	C	S	.	.			trans	-142.8	-172.1	172.4	0	0	0	0	0	112.7	N432 K436 H437	N432-G434 PolarHBondContact O-N 3.07Å; G434-K436 VanDerWaalsContact C-N 3.32Å; G434-K436 PolarHBondContact O-N 2.87Å; G434-H437 PolarHBondContact N-ND1 3.3Å; G434-H437 PolarHBondContact O-N 2.66Å; G434-H437 VanDerWaalsContact O-N 3.15Å
435	P	98.3	Very high	96.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-53.7	-39.9	-176.4	-29	36.7	0	0	0	114.5	Y80 T85 I126 T130 H437 L438	Y80-P435 HydrophobicContact CD1-CG 3.75Å; Y80-P435 HydrophobicContact CD2-CG 3.83Å; Y80-P435 VanDerWaalsContact CE1-CD 3.48Å; Y80-P435 HydrophobicContact CE1-CG 4.25Å; Y80-P435 HydrophobicContact CE2-CG 4.31Å; Y80-P435 HydrophobicContact CG-CG 3.53Å; T85-P435 HydrophobicContact CG2-CB 4.26Å; I126-P435 HydrophobicContact CB-CG 4.24Å; I126-P435 HydrophobicContact CG2-CG 4.18Å; T130-P435 HydrophobicContact CG2-CB 3.56Å; T130-P435 WeakPolarHBondContact CG2-O 3.31Å; P435-H437 PolarHBondContact O-N 2.79Å; P435-L438 PolarHBondContact O-N 3.43Å
436	K	97.9	Very high	96.7	Very high	94 Å²	94	53 Å²	53	41%	0.409	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-56.4	-20.6	179.7	74	-179.3	-173.3	178.8	0	114.8	E431 G434 I439	E431-K436 IonicContact OE1-NZ 2.72Å; E431-K436 WeakPolarHBondContact OE2-CE 3.47Å; E431-K436 IonicContact OE2-NZ 2.65Å; E431-K436 PolarHBondContact OE2-NZ 2.72Å; G434-K436 VanDerWaalsContact C-N 3.32Å; G434-K436 PolarHBondContact O-N 2.87Å; K436-I439 WeakPolarHBondContact O-CG1 3.34Å
437	H	98.3	Very high	97	Very high	37 Å²	37	59.6 Å²	59.6	17%	0.171	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-88.8	-8.7	177.6	-52.3	135	0	0	0	113.4	I210 E431 V433 G434 P435	I210-H437 HydrophobicContact CD1-CB 3.73Å; E431-H437 IonicContact OE2-CE1 3.46Å; E431-H437 IonicContact OE2-NE2 2.83Å; V433-H437 WeakPolarHBondContact CA-ND1 3.28Å; V433-H437 HydrophobicContact CG1-CB 4.44Å; G434-H437 PolarHBondContact N-ND1 3.3Å; G434-H437 PolarHBondContact O-N 2.66Å; G434-H437 VanDerWaalsContact O-N 3.15Å; P435-H437 PolarHBondContact O-N 2.79Å
438	L	98.6	Very high	97.2	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.334	C	S	.	.	S	Bend	trans	-107.8	17.1	-178.6	-49.2	-177.1	0	0	0	111.8	I107 I126 T130 N132 L189 I210 P435	I107-L438 HydrophobicContact CD1-CB 4.3Å; I107-L438 HydrophobicContact CD1-CD1 3.91Å; I107-L438 HydrophobicContact CD1-CD2 4.08Å; I107-L438 HydrophobicContact CD1-CG 4.33Å; I126-L438 HydrophobicContact CB-CD1 4.28Å; I126-L438 HydrophobicContact CD1-CD1 3.66Å; I126-L438 HydrophobicContact CG1-CD1 3.61Å; T130-L438 HydrophobicContact CG2-CB 4.21Å; N132-L438 PolarHBondContact ND2-O 3.37Å; L189-L438 HydrophobicContact CD2-CD2 3.5Å; L189-L438 VanDerWaalsContact CD2-CD2 3.5Å; I210-L438 HydrophobicContact CD1-CD2 4.18Å; P435-L438 PolarHBondContact O-N 3.43Å
439	I	98.3	Very high	97.7	Very high	19 Å²	19	63.7 Å²	63.7	10%	0.097	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	148.8	178.2	60.8	170.8	0	0	0	111.2	L89 A101 T130 K436 K441	L89-I439 HydrophobicContact CD1-CD1 4.24Å; A101-I439 HydrophobicContact CB-CD1 4.18Å; T130-I439 HydrophobicContact CG2-CG2 3.71Å; K436-I439 WeakPolarHBondContact O-CG1 3.34Å; I439-K441 HydrophobicContact CD1-CG 4.14Å
440	N	98.4	Very high	97.8	Very high	80 Å²	80	65 Å²	65	43%	0.428	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	127.5	161.6	-68.8	-47.2	0	0	0	108.6	E102 P103	E102-N440 PolarHBondContact N-O 3.28Å; E102-N440 PolarHBondContact O-N 2.88Å; P103-N440 PolarHBondContact O-ND2 2.97Å
441	K	98.4	Very high	97.8	Very high	132 Å²	132	66.8 Å²	66.8	57%	0.574	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.3	170.2	-64.9	179.3	-176.2	178.4	0	108.6	L89 T99 I439	L89-K441 HydrophobicContact CD1-CD 4.34Å; L89-K441 HydrophobicContact CD1-CG 4.26Å; T99-K441 HydrophobicContact CG2-CB 4.14Å; T99-K441 HydrophobicContact CG2-CD 4.36Å; T99-K441 HydrophobicContact CG2-CG 4.37Å; I439-K441 HydrophobicContact CD1-CG 4.14Å
442	K	97.7	Very high	97.9	Very high	87 Å²	87	64.8 Å²	64.8	38%	0.378	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	144.7	170.6	65.5	-176.2	174.8	-171.4	0	110.4	T99 I100 E102	T99-K442 CarbonylContact C-O 3.54Å; T99-K442 WeakPolarHBondContact CA-O 3.5Å; I100-K442 HydrophobicContact CB-CG 3.84Å; I100-K442 HydrophobicContact CG2-CG 4.45Å; I100-K442 PolarHBondContact N-O 2.83Å; I100-K442 PolarHBondContact O-N 2.91Å; E102-K442 IonicContact OE1-NZ 2.93Å; E102-K442 PolarHBondContact OE1-NZ 3.46Å; E102-K442 IonicContact OE2-NZ 2.8Å; E102-K442 PolarHBondContact OE2-NZ 3.36Å
443	T	98.5	Very high	97.8	Very high	90 Å²	90	66.3 Å²	66.3	55%	0.552	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	120.4	-177.8	-55.3	0	0	0	0	109.8	I98	I98-T443 CarbonylContact O-C 3.53Å; I98-T443 VanDerWaalsContact O-CA 3.32Å; I98-T443 WeakPolarHBondContact O-CA 3.4Å
444	V	98.2	Very high	97.8	Very high	68 Å²	68	69.7 Å²	69.7	41%	0.412	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	125.4	163.4	-176.9	0	0	0	0	107	T97 I98 I100	T97-V444 CarbonylContact C-O 3.52Å; T97-V444 VanDerWaalsContact CA-O 3.31Å; T97-V444 WeakPolarHBondContact CA-O 3.36Å; I98-V444 HydrophobicContact CB-CB 4.06Å; I98-V444 HydrophobicContact CB-CG2 4.42Å; I98-V444 HydrophobicContact CG1-CB 4.4Å; I98-V444 PolarHBondContact N-O 3.09Å; I98-V444 PolarHBondContact O-N 2.83Å; I100-V444 HydrophobicContact CD1-CG2 3.97Å
445	A	97.9	Very high	97.7	Very high	81 Å²	81	74 Å²	74	67%	0.669	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118	108.5	178.2	0	0	0	0	0	109.7
446	K	97.9	Very high	97.7	Very high	96 Å²	96	76.6 Å²	76.6	42%	0.417	38%	0.384	S	S	.	.			trans	-72.9	150.5	175.3	-56.4	175.2	-166.1	171.2	0	109.3	D93 G96 A448	D93-K446 IonicContact OD1-NZ 3.44Å; D93-K446 PolarHBondContact OD1-NZ 3.03Å; D93-K446 VanDerWaalsContact OD1-NZ 3.09Å; G96-K446 WeakPolarHBondContact O-CB 3.33Å; G96-K446 WeakPolarHBondContact O-CG 3.33Å; G96-K446 PolarHBondContact O-N 3.24Å; K446-A448 PolarHBondContact O-N 3.24Å
447	R	97.4	Very high	97.6	Very high	187 Å²	187	72.5 Å²	72.5	71%	0.706	37%	0.367	S	S	*	.			trans	-64.4	119.9	171.3	-175.6	-173.2	78.3	-153.6	7.1	108.8	E449	R447-E449 IonicContact NH2-OE1 3.97Å
448	A	96.1	Very high	97.3	Very high	61 Å²	61	77.6 Å²	77.6	50%	0.504	39%	0.388	S	S	.	.			trans	-105.4	137	168.6	0	0	0	0	0	109.4	K446 S764	K446-A448 PolarHBondContact O-N 3.24Å; A448-S764 WeakPolarHBondContact O-CB 3.3Å; A448-S764 PolarHBondContact O-OG 2.78Å
449	E	97.1	Very high	97.1	Very high	119 Å²	119	78.3 Å²	78.3	56%	0.556	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-75.8	132	173.4	-73.5	173.7	-165.8	0	0	110	R447 M451 S764 Q765	R447-E449 IonicContact NH2-OE1 3.97Å; E449-M451 PolarHBondContact O-N 2.64Å; E449-S764 WeakPolarHBondContact CA-OG 3.45Å; E449-Q765 HydrophobicContact CG-CB 4.44Å
450	N	97	Very high	97.1	Very high	49 Å²	49	79.5 Å²	79.5	26%	0.262	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-63.4	133.5	179.5	-162.2	0	0	0	0	109.6	L452 D575 F763 S764	N450-L452 PolarHBondContact O-N 3.12Å; N450-D575 PolarHBondContact ND2-OD2 3.36Å; N450-F763 HydrophobicContact CB-CE2 3.9Å; N450-F763 HydrophobicContact CB-CZ 3.81Å; N450-S764 PolarHBondContact N-OG 2.93Å
451	M	97.2	Very high	97	Very high	107 Å²	107	80 Å²	80	53%	0.527	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-65.2	126.4	-175.5	-177	-173.3	73.3	0	0	110.6	E449 W453	E449-M451 PolarHBondContact O-N 2.64Å; M451-W453 WeakPolarHBondContact O-CZ3 3.38Å
452	L	97.6	Very high	97	Very high	44 Å²	44	79 Å²	79	23%	0.23	39%	0.392	C	S	.	.			trans	-97.4	-177.1	172.9	-64.1	-170.2	0	0	0	112.1	N450 L666 F763	N450-L452 PolarHBondContact O-N 3.12Å; L452-L666 HydrophobicContact CD2-CD2 4.39Å; L452-F763 HydrophobicContact CD2-CE1 4.22Å; L452-F763 HydrophobicContact CD2-CZ 3.86Å
453	W	97.6	Very high	97	Very high	38 Å²	38	80.3 Å²	80.3	14%	0.144	40%	0.395	C	S	.	.			trans	-155	159.6	-178.4	47.6	75.6	0	0	0	111	M451 K455 I576 R577 Y625 N716	M451-W453 WeakPolarHBondContact O-CZ3 3.38Å; W453-K455 HydrophobicContact CB-CD 4.29Å; W453-K455 HydrophobicContact CB-CG 4.16Å; W453-K455 HydrophobicContact CG-CD 4.38Å; W453-I576 HydrophobicContact CH2-CG2 3.3Å; W453-I576 HydrophobicContact CZ2-CG2 3.17Å; W453-I576 HydrophobicContact CZ3-CG2 4.43Å; W453-R577 HydrophobicContact CE3-CG 4.38Å; W453-R577 HydrophobicContact CH2-CG 4.04Å; W453-R577 HydrophobicContact CZ3-CG 3.69Å; W453-Y625 AromaticContact CD1-CE2 3.76Å; W453-Y625 AromaticContact CD1-CZ 3.51Å; W453-Y625 AromaticContact CE2-CE2 3.73Å; W453-Y625 HydrophobicContact CZ2-CE2 4.23Å; W453-Y625 AromaticContact NE1-CE2 3.21Å; W453-Y625 AromaticContact NE1-CZ 3.13Å; W453-Y625 PolarHBondContact NE1-OH 2.86Å; W453-N716 PolarHBondContact O-OD1 3.47Å
454	H	97.9	Very high	96.9	Very high	71 Å²	71	82 Å²	82	33%	0.329	39%	0.391	S	S	.	.			trans	-128.8	89.7	167.4	-167.8	74.2	0	0	0	107.9	F670 N716	H454-F670 HydrophobicContact CB-CB 4.27Å; H454-F670 HydrophobicContact CB-CD1 4.32Å; H454-F670 HydrophobicContact CB-CG 4.44Å; H454-N716 WeakPolarHBondContact CA-OD1 3.45Å; H454-N716 PolarHBondContact ND1-ND2 3Å
455	K	96.6	Very high	96.8	Very high	95 Å²	95	80.3 Å²	80.3	41%	0.413	39%	0.387	S	S	.	.			trans	-116.1	128.1	-173.7	-71.6	176.8	178.1	-170.1	0	110	W453 Y625 N716	W453-K455 HydrophobicContact CB-CD 4.29Å; W453-K455 HydrophobicContact CB-CG 4.16Å; W453-K455 HydrophobicContact CG-CD 4.38Å; K455-Y625 HydrophobicContact CB-CD1 3.69Å; K455-Y625 HydrophobicContact CB-CE1 3.85Å; K455-Y625 HydrophobicContact CB-CG 4.39Å; K455-Y625 HydrophobicContact CD-CD1 4.14Å; K455-Y625 HydrophobicContact CD-CD2 4.32Å; K455-Y625 HydrophobicContact CD-CG 4.01Å; K455-N716 PolarHBondContact N-OD1 2.86Å; K455-N716 PolarHBondContact O-OD1 3.41Å
456	L	97	Very high	96.7	Very high	53 Å²	53	77 Å²	77	28%	0.277	36%	0.359	S	S	.	.			trans	-140.1	167.7	-174.2	-62	177.4	0	0	0	109.5	I460 I712 A715	L456-I460 HydrophobicContact CB-CD1 4.31Å; L456-I460 HydrophobicContact CD1-CD1 4.31Å; L456-I712 HydrophobicContact CD1-CD1 4.46Å; L456-I712 HydrophobicContact CD1-CG1 4.15Å; L456-I712 HydrophobicContact CD1-CG2 3.9Å; L456-I712 HydrophobicContact CD2-CB 4.17Å; L456-I712 HydrophobicContact CD2-CG1 3.99Å; L456-I712 HydrophobicContact CD2-CG2 4.02Å; L456-A715 HydrophobicContact CD2-CB 4.49Å
457	P	95.6	Very high	96.5	Very high	8 Å²	8	72.7 Å²	72.7	5%	0.052	34%	0.34	C	S	.	.			trans	-51.1	140.4	162.8	-25.3	34.8	0	0	0	110.8	S459 I460 V605 T628 P629 A632	P457-S459 PolarHBondContact O-N 2.69Å; P457-I460 HydrophobicContact CB-CG1 4.16Å; P457-V605 HydrophobicContact CG-CB 4.29Å; P457-V605 HydrophobicContact CG-CG1 4.09Å; P457-T628 HydrophobicContact CG-CG2 3.77Å; P457-P629 WeakPolarHBondContact CA-O 3.45Å; P457-P629 WeakPolarHBondContact CB-O 3.35Å; P457-P629 VanDerWaalsContact CG-O 3.32Å; P457-P629 WeakPolarHBondContact CG-O 3.49Å; P457-A632 HydrophobicContact CB-CB 4.42Å; P457-A632 HydrophobicContact CG-CB 4.22Å
458	K	91.6	Very high	96.3	Very high	144 Å²	144	66.6 Å²	66.6	63%	0.626	33%	0.325	S	S	*	.	S	Bend	trans	-61.8	-34.6	-179.9	59.6	154.5	-152.6	173.3	0	111.9	E473 D630	K458-E473 WeakPolarHBondContact CE-OE1 3.26Å; K458-E473 IonicContact NZ-OE1 3.97Å; K458-E473 PolarHBondContact NZ-OE1 3.32Å; K458-D630 WeakPolarHBondContact CG-O 3.46Å; K458-D630 PolarHBondContact N-O 2.97Å
459	S	95.2	Very high	96.3	Very high	15 Å²	15	70 Å²	70	11%	0.105	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	111.2	-174.4	-63.7	0	0	0	0	109.3	P457 M631 A632	P457-S459 PolarHBondContact O-N 2.69Å; S459-M631 CarbonylContact O-C 3.59Å; S459-M631 VanDerWaalsContact O-CA 3.31Å; S459-M631 WeakPolarHBondContact O-CA 3.48Å; S459-A632 PolarHBondContact O-N 3.18Å
460	I	97.6	Very high	96.1	Very high	45 Å²	45	64.4 Å²	64.4	23%	0.231	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	107	173.7	-55.9	173.5	0	0	0	107.9	L456 P457 V605 A632 I712	L456-I460 HydrophobicContact CB-CD1 4.31Å; L456-I460 HydrophobicContact CD1-CD1 4.31Å; P457-I460 HydrophobicContact CB-CG1 4.16Å; I460-V605 HydrophobicContact CD1-CG1 3.82Å; I460-V605 HydrophobicContact CG1-CG1 4.25Å; I460-A632 CarbonylContact C-O 3.53Å; I460-A632 WeakPolarHBondContact CA-O 3.45Å; I460-A632 HydrophobicContact CG1-CB 4.27Å; I460-A632 HydrophobicContact CG2-CB 4.37Å; I460-I712 HydrophobicContact CD1-CD1 4.48Å
461	Y	97.6	Very high	96	Very high	91 Å²	91	62.1 Å²	62.1	36%	0.357	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.1	-179.5	-62.4	-62.7	0	0	0	110.7	A470 E473 M631 A632 I633 V634	Y461-A470 HydrophobicContact CD2-CB 3.53Å; Y461-A470 HydrophobicContact CE2-CB 4.23Å; Y461-A470 HydrophobicContact CG-CB 3.98Å; Y461-E473 WeakPolarHBondContact CE2-OE2 3.46Å; Y461-E473 PolarHBondContact OH-OE2 3.3Å; Y461-M631 HydrophobicContact CD2-CG 4.12Å; Y461-M631 HydrophobicContact CD2-SD 4Å; Y461-M631 HydrophobicContact CE2-CE 4.27Å; Y461-M631 HydrophobicContact CE2-CG 4.19Å; Y461-M631 HydrophobicContact CE2-SD 3.92Å; Y461-A632 PolarHBondContact N-O 3.45Å; Y461-I633 WeakPolarHBondContact O-CA 3.27Å; Y461-V634 PolarHBondContact O-N 3.24Å
462	F	97.2	Very high	95.6	Very high	110 Å²	110	61.1 Å²	61.1	48%	0.482	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	156.4	-178	60.9	-84.6	0	0	0	110.1	V634	F462-V634 HydrophobicContact CB-CB 4.21Å
463	R	97.9	Very high	95.1	Very high	115 Å²	115	60.4 Å²	60.4	43%	0.434	29%	0.288	S	S	.	.	S	Bend	trans	115.6	159.4	-174.9	-70.3	-70.8	179.1	-118.7	-13	111.1	S466 E701	R463-S466 WeakPolarHBondContact O-CB 3.31Å; R463-S466 PolarHBondContact O-N 3.22Å; R463-S466 PolarHBondContact O-OG 3.13Å; R463-S466 VanDerWaalsContact O-OG 3.08Å; R463-E701 WeakPolarHBondContact CD-OE1 3.31Å; R463-E701 IonicContact CZ-OE1 3.61Å; R463-E701 IonicContact NE-OE1 3.81Å; R463-E701 IonicContact NH1-OE1 2.69Å; R463-E701 PolarHBondContact NH1-OE1 3.36Å
464	R	97.1	Very high	94.3	Very high	126 Å²	126	58.7 Å²	58.7	48%	0.475	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	130.1	175.8	-65.8	179.7	67.3	-171	0.9	110.7	D635 A636 N637 E701	R464-D635 WeakPolarHBondContact CA-OD1 3.49Å; R464-A636 HydrophobicContact CG-CB 3.84Å; R464-N637 WeakPolarHBondContact CB-OD1 3.48Å; R464-N637 PolarHBondContact NE-OD1 3.18Å; R464-N637 PolarHBondContact NH2-OD1 2.94Å; R464-E701 WeakPolarHBondContact CD-OE2 3.23Å; R464-E701 WeakPolarHBondContact CG-OE2 3.47Å
465	G	95.9	Very high	93.3	Very high	31 Å²	31	57.9 Å²	57.9	32%	0.32	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	16.7	179.3	0	0	0	0	0	113.9	L467 D635 N637	G465-L467 VanDerWaalsContact C-N 3.31Å; G465-D635 VanDerWaalsContact C-OD2 3.3Å; G465-D635 WeakPolarHBondContact CA-OD2 3.49Å; G465-D635 VanDerWaalsContact N-CG 3.3Å; G465-D635 PolarHBondContact N-OD1 3.14Å; G465-D635 PolarHBondContact N-OD2 3.12Å; G465-N637 PolarHBondContact N-ND2 2.96Å
466	S	96	Very high	92.6	Very high	12 Å²	12	58.2 Å²	58.2	8%	0.084	29%	0.289	C	S	.	.	H	α-helix	trans	-72.6	-23.6	177	61.5	0	0	0	0	112.8	R463 I469 A470 D635	R463-S466 WeakPolarHBondContact O-CB 3.31Å; R463-S466 PolarHBondContact O-N 3.22Å; R463-S466 PolarHBondContact O-OG 3.13Å; R463-S466 VanDerWaalsContact O-OG 3.08Å; S466-I469 PolarHBondContact O-N 3.46Å; S466-A470 WeakPolarHBondContact O-CB 3.09Å; S466-A470 PolarHBondContact O-N 3.36Å; S466-D635 PolarHBondContact N-OD2 2.84Å; S466-D635 WeakPolarHBondContact OG-CB 3.48Å
467	L	94.4	Very high	92.1	Very high	5 Å²	5	59.7 Å²	59.7	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-53.5	-58.5	-174	-178.4	64.5	0	0	0	114.2	G465 I469 A470 L471 Q498 I499 V595 I633 D635	G465-L467 VanDerWaalsContact C-N 3.31Å; L467-I469 VanDerWaalsContact C-N 3.27Å; L467-I469 PolarHBondContact O-N 3.04Å; L467-A470 PolarHBondContact O-N 3.08Å; L467-L471 HydrophobicContact CD1-CD1 3.81Å; L467-L471 HydrophobicContact CD1-CG 4.16Å; L467-L471 HydrophobicContact CG-CD1 4.03Å; L467-L471 VanDerWaalsContact O-CG 3.3Å; L467-L471 WeakPolarHBondContact O-CG 3.4Å; L467-L471 PolarHBondContact O-N 2.91Å; L467-Q498 HydrophobicContact CD2-CB 4.16Å; L467-I499 HydrophobicContact CD1-CD1 4.5Å; L467-I499 HydrophobicContact CD1-CG1 4.17Å; L467-I499 HydrophobicContact CD2-CG1 3.96Å; L467-V595 HydrophobicContact CD1-CG1 3.9Å; L467-V595 HydrophobicContact CD1-CG2 4.01Å; L467-I633 HydrophobicContact CD1-CD1 4.49Å; L467-I633 HydrophobicContact CD1-CG2 4.23Å; L467-D635 HydrophobicContact CB-CB 4.36Å; L467-D635 PolarHBondContact N-OD2 3.2Å; L467-D635 VanDerWaalsContact N-OD2 3.08Å
468	P	93.1	Very high	91.8	Very high	59 Å²	59	61.1 Å²	61.1	38%	0.383	31%	0.313	S	S	.	.	H	α-helix	trans	-64.6	-32.7	-179.7	25.5	-35.1	0	0	0	112.8	D472 V502	P468-D472 PolarHBondContact O-N 3.31Å; P468-V502 HydrophobicContact CB-CG1 4.47Å; P468-V502 HydrophobicContact CB-CG2 3.93Å
469	I	94.3	Very high	91.9	Very high	132 Å²	132	55.8 Å²	55.8	68%	0.677	29%	0.291	S	S	*	.	H	α-helix	trans	-70.7	-39.7	-178.5	-51.5	-55.9	0	0	0	110.8	S466 L467 D472	S466-I469 PolarHBondContact O-N 3.46Å; L467-I469 VanDerWaalsContact C-N 3.27Å; L467-I469 PolarHBondContact O-N 3.04Å; I469-D472 WeakPolarHBondContact O-CB 3.48Å
470	A	94.1	Very high	91.9	Very high	3 Å²	3	60.7 Å²	60.7	3%	0.025	31%	0.31	C	S	.	.	H	α-helix	trans	-73.3	-39.2	177.6	0	0	0	0	0	112.1	Y461 S466 L467 D472 E473 M631 I633	Y461-A470 HydrophobicContact CD2-CB 3.53Å; Y461-A470 HydrophobicContact CE2-CB 4.23Å; Y461-A470 HydrophobicContact CG-CB 3.98Å; S466-A470 WeakPolarHBondContact O-CB 3.09Å; S466-A470 PolarHBondContact O-N 3.36Å; L467-A470 PolarHBondContact O-N 3.08Å; A470-D472 PolarHBondContact O-N 3.31Å; A470-E473 WeakPolarHBondContact O-CB 3.41Å; A470-E473 PolarHBondContact O-N 2.97Å; A470-M631 HydrophobicContact CB-SD 4.48Å; A470-I633 HydrophobicContact CB-CD1 3.51Å; A470-I633 HydrophobicContact CB-CG1 3.72Å; A470-I633 HydrophobicContact CB-CG2 4.4Å
471	L	93.7	Very high	91.9	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-66.1	-16.8	176.8	-68.8	175.4	0	0	0	113.1	L467 E473 V474 I499 V502 I541 I633	L467-L471 HydrophobicContact CD1-CD1 3.81Å; L467-L471 HydrophobicContact CD1-CG 4.16Å; L467-L471 HydrophobicContact CG-CD1 4.03Å; L467-L471 VanDerWaalsContact O-CG 3.3Å; L467-L471 WeakPolarHBondContact O-CG 3.4Å; L467-L471 PolarHBondContact O-N 2.91Å; L471-E473 PolarHBondContact O-N 2.57Å; L471-V474 HydrophobicContact CD2-CG2 4.15Å; L471-V474 VanDerWaalsContact O-CB 3.24Å; L471-V474 WeakPolarHBondContact O-CB 3.13Å; L471-V474 PolarHBondContact O-N 3.15Å; L471-I499 HydrophobicContact CD1-CB 4.39Å; L471-I499 HydrophobicContact CD1-CG2 3.88Å; L471-V502 HydrophobicContact CB-CG1 3.97Å; L471-V502 HydrophobicContact CD1-CB 4.23Å; L471-V502 HydrophobicContact CD1-CG1 4.21Å; L471-I541 HydrophobicContact CD2-CD1 4.11Å; L471-I633 HydrophobicContact CD2-CD1 4.27Å
472	D	89.7	Confident	91.9	Very high	86 Å²	86	57.5 Å²	57.5	46%	0.46	29%	0.294	S	S	.	.	H	α-helix	trans	-63.3	-25.1	171	-161.4	58.3	0	0	0	112.6	P468 I469 A470 V474 I475 T476	P468-D472 PolarHBondContact O-N 3.31Å; I469-D472 WeakPolarHBondContact O-CB 3.48Å; A470-D472 PolarHBondContact O-N 3.31Å; D472-V474 VanDerWaalsContact C-N 3.31Å; D472-V474 PolarHBondContact O-N 3.22Å; D472-I475 WeakPolarHBondContact O-CB 3.2Å; D472-I475 PolarHBondContact O-N 3.11Å; D472-T476 WeakPolarHBondContact O-CB 3.39Å; D472-T476 PolarHBondContact O-N 2.58Å; D472-T476 PolarHBondContact O-OG1 2.77Å
473	E	86.6	Confident	92	Very high	30 Å²	30	52.2 Å²	52.2	14%	0.14	27%	0.271	C	S	.	.	H	α-helix	trans	-66.6	-33.2	171.8	-172	177.6	169.3	0	0	111.3	K458 Y461 A470 L471 I475 T476 D477 M631	K458-E473 WeakPolarHBondContact CE-OE1 3.26Å; K458-E473 IonicContact NZ-OE1 3.97Å; K458-E473 PolarHBondContact NZ-OE1 3.32Å; Y461-E473 WeakPolarHBondContact CE2-OE2 3.46Å; Y461-E473 PolarHBondContact OH-OE2 3.3Å; A470-E473 WeakPolarHBondContact O-CB 3.41Å; A470-E473 PolarHBondContact O-N 2.97Å; L471-E473 PolarHBondContact O-N 2.57Å; E473-I475 PolarHBondContact O-N 3.43Å; E473-T476 PolarHBondContact O-N 3.38Å; E473-D477 VanDerWaalsContact O-CB 3.27Å; E473-D477 WeakPolarHBondContact O-CB 3.41Å; E473-D477 PolarHBondContact O-N 3.42Å; E473-M631 HydrophobicContact CB-CE 3.94Å; E473-M631 HydrophobicContact CG-CE 3.9Å; E473-M631 WeakPolarHBondContact OE2-CE 3.37Å
474	V	80.3	Confident	92	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.012	25%	0.251	C	S	.	.	H	α-helix	trans	-59.2	-40.7	173.5	-178.5	0	0	0	0	110.6	L471 D472 G478 H479 L503 V539 I593	L471-V474 HydrophobicContact CD2-CG2 4.15Å; L471-V474 VanDerWaalsContact O-CB 3.24Å; L471-V474 WeakPolarHBondContact O-CB 3.13Å; L471-V474 PolarHBondContact O-N 3.15Å; D472-V474 VanDerWaalsContact C-N 3.31Å; D472-V474 PolarHBondContact O-N 3.22Å; V474-G478 PolarHBondContact O-N 2.87Å; V474-H479 HydrophobicContact CG1-CB 3.66Å; V474-H479 WeakPolarHBondContact O-CB 3.29Å; V474-H479 PolarHBondContact O-N 3.07Å; V474-L503 HydrophobicContact CB-CD2 4.41Å; V474-L503 HydrophobicContact CG1-CD2 4.2Å; V474-V539 HydrophobicContact CG1-CG1 3.96Å; V474-I593 HydrophobicContact CG2-CD1 3.39Å
475	I	77.1	Confident	92.1	Very high	53 Å²	53	40.8 Å²	40.8	27%	0.272	23%	0.228	S	C	.	.	H	α-helix	trans	-70	-47.5	178.9	-54.4	168.9	0	0	0	109.8	D472 E473 D477 G478 A506	D472-I475 WeakPolarHBondContact O-CB 3.2Å; D472-I475 PolarHBondContact O-N 3.11Å; E473-I475 PolarHBondContact O-N 3.43Å; I475-D477 VanDerWaalsContact C-N 3.33Å; I475-D477 PolarHBondContact O-N 3.43Å; I475-G478 PolarHBondContact O-N 2.76Å; I475-A506 HydrophobicContact CD1-CB 3.19Å; I475-A506 HydrophobicContact CG1-CB 3.55Å; I475-A506 HydrophobicContact CG2-CB 4.25Å
476	T	82.7	Confident	92.2	Very high	103 Å²	103	39.3 Å²	39.3	63%	0.632	21%	0.213	S	C	*	.	H	α-helix	trans	-63.1	-39.1	-177.8	-58.3	0	0	0	0	111.9	D472 E473 G478	D472-T476 WeakPolarHBondContact O-CB 3.39Å; D472-T476 PolarHBondContact O-N 2.58Å; D472-T476 PolarHBondContact O-OG1 2.77Å; E473-T476 PolarHBondContact O-N 3.38Å; T476-G478 PolarHBondContact O-N 3.32Å
477	D	86.7	Confident	92.2	Very high	84 Å²	84	40.8 Å²	40.8	45%	0.449	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-6	177.4	-74.1	-0.6	0	0	0	112.6	E473 I475	E473-D477 VanDerWaalsContact O-CB 3.27Å; E473-D477 WeakPolarHBondContact O-CB 3.41Å; E473-D477 PolarHBondContact O-N 3.42Å; I475-D477 VanDerWaalsContact C-N 3.33Å; I475-D477 PolarHBondContact O-N 3.43Å
478	G	89.4	Confident	92.3	Very high	38 Å²	38	46.7 Å²	46.7	39%	0.392	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	11	171.1	0	0	0	0	0	115.3	V474 I475 T476 K480	V474-G478 PolarHBondContact O-N 2.87Å; I475-G478 PolarHBondContact O-N 2.76Å; T476-G478 PolarHBondContact O-N 3.32Å; G478-K480 WeakPolarHBondContact O-CE 3.46Å
479	H	94	Very high	92.4	Very high	32 Å²	32	49.9 Å²	49.9	15%	0.148	25%	0.25	C	S	.	.			trans	-61.5	142.4	174.2	-64.9	-66	0	0	0	111.3	V474 D538 V539	V474-H479 HydrophobicContact CG1-CB 3.66Å; V474-H479 WeakPolarHBondContact O-CB 3.29Å; V474-H479 PolarHBondContact O-N 3.07Å; H479-D538 WeakPolarHBondContact CA-OD1 3.32Å; H479-D538 WeakPolarHBondContact CB-OD1 3.32Å; H479-D538 PolarHBondContact CE1-O 2.78Å; H479-D538 IonicContact CG-OD1 3.83Å; H479-D538 PolarHBondContact ND1-O 3.3Å; H479-D538 VanDerWaalsContact ND1-O 3.11Å; H479-D538 IonicContact ND1-OD1 3.69Å; H479-V539 HydrophobicContact CB-CB 4.42Å; H479-V539 HydrophobicContact CB-CG1 4.19Å
480	K	95.5	Very high	92.4	Very high	118 Å²	118	44 Å²	44	51%	0.513	22%	0.22	S	C	.	.			trans	-126.3	-16.9	-172.1	-59.3	-59.3	171.8	-158.2	0	113.9	G478 E509 D538	G478-K480 WeakPolarHBondContact O-CE 3.46Å; K480-E509 PolarHBondContact O-N 3.4Å; K480-D538 WeakPolarHBondContact CA-OD2 3.45Å; K480-D538 PolarHBondContact N-OD1 2.64Å; K480-D538 PolarHBondContact N-OD2 3.48Å
481	R	97.6	Very high	92.5	Very high	68 Å²	68	46.8 Å²	46.8	26%	0.257	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	106.4	-172.2	-55.7	-178.9	69.3	69.5	10.2	110.2	E509 F535 K536 P537 D538 V539	R481-E509 CarbonylContact C-O 3.6Å; R481-E509 WeakPolarHBondContact CA-O 3.25Å; R481-E509 IonicContact CZ-OE2 3.08Å; R481-E509 IonicContact NH1-OE1 3.81Å; R481-E509 IonicContact NH1-OE2 3.92Å; R481-E509 PolarHBondContact NH1-OE2 2.82Å; R481-E509 IonicContact NH2-OE2 2.83Å; R481-F535 HydrophobicContact CB-CE1 3.98Å; R481-F535 HydrophobicContact CB-CZ 4.36Å; R481-F535 PolarHBondContact NE-O 2.93Å; R481-F535 VanDerWaalsContact NH2-CD2 3.29Å; R481-F535 PolarHBondContact NH2-O 3.28Å; R481-K536 WeakPolarHBondContact CD-O 3.21Å; R481-K536 PolarHBondContact NE-O 2.76Å; R481-P537 CarbonylContact O-C 3.56Å; R481-P537 VanDerWaalsContact O-CA 3.27Å; R481-P537 WeakPolarHBondContact O-CA 3.09Å; R481-P537 WeakPolarHBondContact O-CB 3.42Å; R481-D538 VanDerWaalsContact N-CG 3.3Å; R481-D538 PolarHBondContact N-OD1 2.84Å; R481-D538 PolarHBondContact N-OD2 2.92Å; R481-D538 PolarHBondContact O-N 3.42Å; R481-D538 VanDerWaalsContact O-OD1 3.13Å; R481-V539 PolarHBondContact O-N 3.39Å
482	A	97.6	Very high	92.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.9	-178.5	0	0	0	0	0	112.2	I484 L503 V508 E509 T510 E511 F535 V539 I541	A482-I484 HydrophobicContact CB-CD1 4.18Å; A482-L503 HydrophobicContact CB-CD1 3.78Å; A482-V508 HydrophobicContact CB-CG1 3.86Å; A482-E509 PolarHBondContact N-O 3.28Å; A482-T510 HydrophobicContact CB-CG2 4.5Å; A482-T510 WeakPolarHBondContact O-CA 3.49Å; A482-E511 PolarHBondContact O-N 3.27Å; A482-F535 WeakPolarHBondContact O-CE1 3.46Å; A482-V539 WeakPolarHBondContact CA-O 3.33Å; A482-V539 HydrophobicContact CB-CG1 3.69Å; A482-I541 HydrophobicContact CB-CD1 4.23Å
483	L	98.5	Very high	92.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	113.8	165.8	172.5	57.3	0	0	0	109.5	V485 E511 F513 L531 A532 P537 V539 I540 I541	L483-V485 HydrophobicContact CD2-CG2 4.47Å; L483-V485 HydrophobicContact CG-CG2 4.19Å; L483-E511 HydrophobicContact CD1-CB 4.35Å; L483-E511 HydrophobicContact CD1-CG 4.49Å; L483-F513 HydrophobicContact CD1-CB 4.2Å; L483-L531 HydrophobicContact CD1-CD2 3.33Å; L483-L531 HydrophobicContact CD2-CD2 4.02Å; L483-L531 HydrophobicContact CG-CD2 4.31Å; L483-A532 HydrophobicContact CD2-CB 3.68Å; L483-P537 HydrophobicContact CB-CB 3.83Å; L483-P537 HydrophobicContact CB-CG 3.93Å; L483-P537 HydrophobicContact CD2-CG 4.38Å; L483-V539 PolarHBondContact N-O 2.93Å; L483-I540 HydrophobicContact CB-CG1 4.44Å; L483-I540 CarbonylContact O-C 3.59Å; L483-I540 WeakPolarHBondContact O-CA 3.32Å; L483-I541 PolarHBondContact O-N 3.27Å
484	I	98.3	Very high	93.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	119.7	176.1	-58.5	81.5	0	0	0	108.8	A482 I499 T500 L503 T510 E511 V512 F513 I541 L543	A482-I484 HydrophobicContact CB-CD1 4.18Å; I484-I499 HydrophobicContact CG1-CG2 4.22Å; I484-T500 HydrophobicContact CD1-CG2 4.09Å; I484-L503 HydrophobicContact CD1-CD1 4.43Å; I484-T510 HydrophobicContact CD1-CG2 4.11Å; I484-E511 PolarHBondContact N-O 3.23Å; I484-V512 HydrophobicContact CB-CG1 4.35Å; I484-V512 HydrophobicContact CB-CG2 4.33Å; I484-V512 HydrophobicContact CG2-CG1 4.44Å; I484-V512 CarbonylContact O-C 3.57Å; I484-V512 WeakPolarHBondContact O-CA 3.43Å; I484-F513 PolarHBondContact O-N 3.36Å; I484-I541 CarbonylContact C-O 3.59Å; I484-I541 VanDerWaalsContact CA-O 3.28Å; I484-I541 WeakPolarHBondContact CA-O 3.46Å; I484-I541 HydrophobicContact CG1-CB 4.39Å; I484-L543 HydrophobicContact CG2-CB 4.4Å
485	V	98.6	Very high	93.8	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	122.8	176.2	179.7	0	0	0	0	109.1	L483 F513 V516 I540 I541 A542 L543 A552 M555	L483-V485 HydrophobicContact CD2-CG2 4.47Å; L483-V485 HydrophobicContact CG-CG2 4.19Å; V485-F513 WeakPolarHBondContact CA-O 3.38Å; V485-F513 HydrophobicContact CG1-CD1 4.32Å; V485-V516 HydrophobicContact CG1-CG2 3.77Å; V485-I540 HydrophobicContact CG2-CG2 4.18Å; V485-I541 PolarHBondContact N-O 3.44Å; V485-A542 CarbonylContact O-C 3.55Å; V485-A542 WeakPolarHBondContact O-CA 3.45Å; V485-L543 PolarHBondContact O-N 3.18Å; V485-A552 HydrophobicContact CB-CB 3.8Å; V485-A552 HydrophobicContact CG1-CB 3.88Å; V485-A552 HydrophobicContact CG2-CB 3.95Å; V485-M555 HydrophobicContact CG1-CE 4.41Å; V485-M555 HydrophobicContact CG1-SD 4.03Å; V485-M555 HydrophobicContact CG2-SD 3.96Å
486	T	98.2	Very high	94.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.256	C	S	.	.			trans	-152.2	-177.7	-175.1	-167	0	0	0	0	111.3	L490 F491 V512 F513 F514 V516 L543	T486-L490 WeakPolarHBondContact OG1-CB 3.47Å; T486-F491 HydrophobicContact CG2-CB 4.22Å; T486-V512 HydrophobicContact CG2-CG1 3.9Å; T486-F513 PolarHBondContact N-O 3.5Å; T486-F514 HydrophobicContact CG2-CB 3.88Å; T486-F514 CarbonylContact O-C 3.53Å; T486-F514 VanDerWaalsContact O-CA 3.27Å; T486-F514 WeakPolarHBondContact O-CA 3.39Å; T486-V516 WeakPolarHBondContact O-CB 3.43Å; T486-L543 WeakPolarHBondContact CA-O 3.38Å; T486-L543 PolarHBondContact OG1-O 2.96Å
487	D	96.6	Very high	95.3	Very high	44 Å²	44	49.6 Å²	49.6	24%	0.235	25%	0.247	C	C	.	.			trans	-99.7	169.9	169.7	69.5	36.1	0	0	0	112.1	F489 L490 F491 F514 V516 P548	D487-F489 VanDerWaalsContact C-N 3.29Å; D487-F489 PolarHBondContact O-N 3.33Å; D487-F489 WeakPolarHBondContact OD1-CA 3.3Å; D487-F489 WeakPolarHBondContact OD1-CB 3.41Å; D487-F489 PolarHBondContact OD1-N 2.67Å; D487-L490 WeakPolarHBondContact OD1-CB 3.26Å; D487-L490 WeakPolarHBondContact OD1-CG 3.13Å; D487-L490 PolarHBondContact OD1-N 3.25Å; D487-F491 WeakPolarHBondContact O-CB 3.48Å; D487-F491 PolarHBondContact O-N 2.96Å; D487-F491 VanDerWaalsContact O-N 3.15Å; D487-F514 CarbonylContact C-O 3.51Å; D487-V516 WeakPolarHBondContact CA-O 3.43Å; D487-V516 VanDerWaalsContact CB-O 3.25Å; D487-V516 WeakPolarHBondContact CB-O 3.27Å; D487-P548 HydrophobicContact CB-CG 4.46Å
488	R	96.3	Very high	95.6	Very high	128 Å²	128	50.1 Å²	50.1	48%	0.483	25%	0.246	S	C	.	.	H	α-helix	trans	-63.3	-32.6	178.3	-68.5	-173.1	-177.7	151	7.2	113.1	N492 F514	R488-N492 WeakPolarHBondContact O-CB 3.43Å; R488-N492 PolarHBondContact O-N 2.66Å; R488-N492 PolarHBondContact O-ND2 3.11Å; R488-N492 VanDerWaalsContact O-ND2 3.13Å; R488-F514 HydrophobicContact CG-CD2 4.24Å; R488-F514 VanDerWaalsContact CG-O 3.22Å; R488-F514 WeakPolarHBondContact CG-O 3.38Å; R488-F514 PolarHBondContact N-O 3.48Å
489	F	93.8	Very high	95.9	Very high	127 Å²	127	48.3 Å²	48.3	56%	0.557	23%	0.228	S	C	*	.	H	α-helix	trans	-67.7	-48.4	-176.5	177.9	-87.8	0	0	0	110.6	D487 F491 N492 N493	D487-F489 VanDerWaalsContact C-N 3.29Å; D487-F489 PolarHBondContact O-N 3.33Å; D487-F489 WeakPolarHBondContact OD1-CA 3.3Å; D487-F489 WeakPolarHBondContact OD1-CB 3.41Å; D487-F489 PolarHBondContact OD1-N 2.67Å; F489-F491 VanDerWaalsContact C-N 3.35Å; F489-N492 PolarHBondContact O-N 2.77Å; F489-N493 VanDerWaalsContact CD2-ND2 3.26Å; F489-N493 WeakPolarHBondContact CD2-ND2 3.29Å; F489-N493 WeakPolarHBondContact CE1-ND2 3.19Å; F489-N493 WeakPolarHBondContact CE2-ND2 3.15Å; F489-N493 WeakPolarHBondContact CG-ND2 3.4Å; F489-N493 WeakPolarHBondContact CZ-ND2 3.31Å; F489-N493 VanDerWaalsContact O-CB 3.27Å; F489-N493 WeakPolarHBondContact O-CB 3.28Å; F489-N493 VanDerWaalsContact O-CG 3.31Å; F489-N493 PolarHBondContact O-N 3.2Å; F489-N493 PolarHBondContact O-ND2 3.44Å
490	L	94.8	Very high	95.9	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.037	22%	0.223	C	C	.	.	H	α-helix	trans	-67.2	-37.7	179.2	-66.4	169.8	0	0	0	111.4	T486 D487 G494 Y495 A496 L543 G544 T597	T486-L490 WeakPolarHBondContact OG1-CB 3.47Å; D487-L490 WeakPolarHBondContact OD1-CB 3.26Å; D487-L490 WeakPolarHBondContact OD1-CG 3.13Å; D487-L490 PolarHBondContact OD1-N 3.25Å; L490-G494 PolarHBondContact O-N 3.44Å; L490-Y495 HydrophobicContact CD2-CD1 4.02Å; L490-Y495 HydrophobicContact CD2-CD2 3.93Å; L490-Y495 HydrophobicContact CD2-CE2 4.42Å; L490-Y495 HydrophobicContact CD2-CG 3.7Å; L490-Y495 WeakPolarHBondContact O-CB 3.44Å; L490-Y495 PolarHBondContact O-N 3.45Å; L490-A496 PolarHBondContact O-N 2.84Å; L490-L543 HydrophobicContact CB-CD2 4.5Å; L490-L543 HydrophobicContact CD1-CG 4.31Å; L490-G544 VanDerWaalsContact CD1-CA 3.5Å; L490-T597 HydrophobicContact CD1-CG2 4.49Å; L490-T597 HydrophobicContact CD2-CG2 4.23Å
491	F	96.2	Very high	95.9	Very high	63 Å²	63	45.2 Å²	45.2	28%	0.276	22%	0.224	S	C	.	.	H	α-helix	trans	-62.8	-54.3	173	-178.1	-107.7	0	0	0	111.6	T486 D487 F489 N493 G494 A496 V512 F514	T486-F491 HydrophobicContact CG2-CB 4.22Å; D487-F491 WeakPolarHBondContact O-CB 3.48Å; D487-F491 PolarHBondContact O-N 2.96Å; D487-F491 VanDerWaalsContact O-N 3.15Å; F489-F491 VanDerWaalsContact C-N 3.35Å; F491-N493 VanDerWaalsContact C-N 3.27Å; F491-N493 PolarHBondContact O-N 3.09Å; F491-G494 PolarHBondContact O-N 3.34Å; F491-A496 HydrophobicContact CD2-CB 4.15Å; F491-V512 HydrophobicContact CD2-CG1 3.86Å; F491-V512 HydrophobicContact CE2-CB 4.32Å; F491-V512 HydrophobicContact CE2-CG1 4.17Å; F491-F514 HydrophobicContact CB-CB 3.8Å; F491-F514 HydrophobicContact CB-CG 4.29Å; F491-F514 HydrophobicContact CD1-CB 4.41Å; F491-F514 HydrophobicContact CD1-CD1 4.06Å; F491-F514 HydrophobicContact CD1-CD2 4.24Å; F491-F514 HydrophobicContact CD1-CE1 4.43Å; F491-F514 AromaticContact CD1-CG 3.96Å; F491-F514 HydrophobicContact CD1-CG 3.96Å; F491-F514 HydrophobicContact CD2-CB 4.41Å; F491-F514 HydrophobicContact CD2-CD1 4.06Å; F491-F514 HydrophobicContact CD2-CG 4.39Å; F491-F514 HydrophobicContact CE1-CD1 4.1Å; F491-F514 HydrophobicContact CE1-CE1 4.06Å; F491-F514 HydrophobicContact CE1-CG 4.4Å; F491-F514 HydrophobicContact CE1-CZ 4.31Å; F491-F514 HydrophobicContact CE2-CD1 4.09Å; F491-F514 HydrophobicContact CE2-CE1 4.42Å; F491-F514 HydrophobicContact CG-CB 3.96Å; F491-F514 HydrophobicContact CG-CD1 4.04Å; F491-F514 AromaticContact CG-CG 3.95Å; F491-F514 HydrophobicContact CG-CG 3.95Å; F491-F514 HydrophobicContact CZ-CD1 4.11Å; F491-F514 HydrophobicContact CZ-CE1 4.05Å
492	N	95.7	Very high	95.7	Very high	113 Å²	113	43.8 Å²	43.8	60%	0.604	22%	0.223	S	C	*	.	H	α-helix	trans	-66.7	-26.8	-175.5	-68	-19.5	0	0	0	113.6	R488 F489	R488-N492 WeakPolarHBondContact O-CB 3.43Å; R488-N492 PolarHBondContact O-N 2.66Å; R488-N492 PolarHBondContact O-ND2 3.11Å; R488-N492 VanDerWaalsContact O-ND2 3.13Å; F489-N492 PolarHBondContact O-N 2.77Å
493	N	93.8	Very high	95.5	Very high	88 Å²	88	43.8 Å²	43.8	47%	0.471	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	14.9	-179.1	-64.3	-44.1	0	0	0	113.5	F489 F491 Y495	F489-N493 VanDerWaalsContact CD2-ND2 3.26Å; F489-N493 WeakPolarHBondContact CD2-ND2 3.29Å; F489-N493 WeakPolarHBondContact CE1-ND2 3.19Å; F489-N493 WeakPolarHBondContact CE2-ND2 3.15Å; F489-N493 WeakPolarHBondContact CG-ND2 3.4Å; F489-N493 WeakPolarHBondContact CZ-ND2 3.31Å; F489-N493 VanDerWaalsContact O-CB 3.27Å; F489-N493 WeakPolarHBondContact O-CB 3.28Å; F489-N493 VanDerWaalsContact O-CG 3.31Å; F489-N493 PolarHBondContact O-N 3.2Å; F489-N493 PolarHBondContact O-ND2 3.44Å; F491-N493 VanDerWaalsContact C-N 3.27Å; F491-N493 PolarHBondContact O-N 3.09Å; N493-Y495 VanDerWaalsContact C-N 3.34Å; N493-Y495 HydrophobicContact CB-CD2 4.07Å; N493-Y495 HydrophobicContact CB-CE2 4.21Å; N493-Y495 PolarHBondContact O-N 3.48Å
494	G	94.2	Very high	95.3	Very high	19 Å²	19	49.9 Å²	49.9	20%	0.196	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	14.6	170.7	0	0	0	0	0	115.5	L490 F491 D497	L490-G494 PolarHBondContact O-N 3.44Å; F491-G494 PolarHBondContact O-N 3.34Å; G494-D497 WeakPolarHBondContact CA-OD2 3.25Å; G494-D497 PolarHBondContact O-N 3.34Å
495	Y	95.3	Very high	95	Very high	30 Å²	30	54.2 Å²	54.2	12%	0.118	29%	0.285	C	S	.	.	H	α-helix	trans	-70.8	-41.3	173.7	-76.1	-101.4	0	0	0	111.1	L490 N493 D497 Q498 L638	L490-Y495 HydrophobicContact CD2-CD1 4.02Å; L490-Y495 HydrophobicContact CD2-CD2 3.93Å; L490-Y495 HydrophobicContact CD2-CE2 4.42Å; L490-Y495 HydrophobicContact CD2-CG 3.7Å; L490-Y495 WeakPolarHBondContact O-CB 3.44Å; L490-Y495 PolarHBondContact O-N 3.45Å; N493-Y495 VanDerWaalsContact C-N 3.34Å; N493-Y495 HydrophobicContact CB-CD2 4.07Å; N493-Y495 HydrophobicContact CB-CE2 4.21Å; N493-Y495 PolarHBondContact O-N 3.48Å; Y495-D497 PolarHBondContact O-N 3.42Å; Y495-Q498 WeakPolarHBondContact O-CB 3.3Å; Y495-Q498 PolarHBondContact O-N 3.3Å; Y495-L638 HydrophobicContact CD1-CB 4.41Å; Y495-L638 HydrophobicContact CD1-CD2 4.03Å; Y495-L638 HydrophobicContact CE1-CB 4.24Å; Y495-L638 HydrophobicContact CE1-CD2 4.37Å; Y495-L638 VanDerWaalsContact CE1-O 3.3Å; Y495-L638 WeakPolarHBondContact CE1-O 3.4Å
496	A	95.7	Very high	94.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.1	-31.2	175.1	0	0	0	0	0	112	L490 F491 Q498 I499 T500 L543	L490-A496 PolarHBondContact O-N 2.84Å; F491-A496 HydrophobicContact CD2-CB 4.15Å; A496-Q498 VanDerWaalsContact C-N 3.29Å; A496-Q498 PolarHBondContact O-N 3.09Å; A496-I499 PolarHBondContact O-N 3.33Å; A496-I499 VanDerWaalsContact O-N 3.16Å; A496-T500 WeakPolarHBondContact O-CG2 3.16Å; A496-T500 PolarHBondContact O-N 3.32Å; A496-T500 PolarHBondContact O-OG1 3.2Å; A496-L543 HydrophobicContact CB-CD2 4.21Å
497	D	95.1	Very high	94.4	Very high	83 Å²	83	59 Å²	59	44%	0.444	33%	0.33	S	S	.	.	H	α-helix	trans	-64.7	-32.8	177.7	-63.1	-24.6	0	0	0	112.2	G494 Y495 I499 T500 S501	G494-D497 WeakPolarHBondContact CA-OD2 3.25Å; G494-D497 PolarHBondContact O-N 3.34Å; Y495-D497 PolarHBondContact O-N 3.42Å; D497-I499 VanDerWaalsContact C-N 3.26Å; D497-I499 PolarHBondContact O-N 2.9Å; D497-T500 WeakPolarHBondContact CA-OG1 3.22Å; D497-T500 PolarHBondContact O-N 3.38Å; D497-T500 PolarHBondContact O-OG1 2.61Å; D497-S501 WeakPolarHBondContact O-CB 3.3Å; D497-S501 PolarHBondContact O-N 3.17Å; D497-S501 PolarHBondContact O-OG 3.38Å
498	Q	93.6	Very high	94.3	Very high	95 Å²	95	57.1 Å²	57.1	44%	0.444	32%	0.321	S	S	.	.	H	α-helix	trans	-62	-35.5	175.1	-63	-177	15.7	0	0	111.9	L467 Y495 A496 V502	L467-Q498 HydrophobicContact CD2-CB 4.16Å; Y495-Q498 WeakPolarHBondContact O-CB 3.3Å; Y495-Q498 PolarHBondContact O-N 3.3Å; A496-Q498 VanDerWaalsContact C-N 3.29Å; A496-Q498 PolarHBondContact O-N 3.09Å; Q498-V502 WeakPolarHBondContact O-CG2 3.29Å
499	I	94.5	Very high	94.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-76	-53	175.3	-59.5	-174.8	0	0	0	110.3	L467 L471 I484 A496 D497 S501 V502 L503 I541 L543 V595	L467-I499 HydrophobicContact CD1-CD1 4.5Å; L467-I499 HydrophobicContact CD1-CG1 4.17Å; L467-I499 HydrophobicContact CD2-CG1 3.96Å; L471-I499 HydrophobicContact CD1-CB 4.39Å; L471-I499 HydrophobicContact CD1-CG2 3.88Å; I484-I499 HydrophobicContact CG1-CG2 4.22Å; A496-I499 PolarHBondContact O-N 3.33Å; A496-I499 VanDerWaalsContact O-N 3.16Å; D497-I499 VanDerWaalsContact C-N 3.26Å; D497-I499 PolarHBondContact O-N 2.9Å; I499-S501 VanDerWaalsContact C-N 3.26Å; I499-S501 PolarHBondContact O-N 2.64Å; I499-V502 PolarHBondContact O-N 3.34Å; I499-V502 VanDerWaalsContact O-N 3.15Å; I499-L503 HydrophobicContact CG2-CD1 3.74Å; I499-L503 HydrophobicContact CG2-CG 4.31Å; I499-L503 WeakPolarHBondContact O-CG 3.42Å; I499-L503 PolarHBondContact O-N 2.85Å; I499-L503 VanDerWaalsContact O-N 3.07Å; I499-I541 HydrophobicContact CD1-CG2 4.17Å; I499-I541 HydrophobicContact CG2-CD1 4.17Å; I499-L543 HydrophobicContact CD1-CB 4.08Å; I499-L543 HydrophobicContact CD1-CD1 3.99Å; I499-L543 HydrophobicContact CD1-CD2 3.95Å; I499-L543 HydrophobicContact CD1-CG 4.21Å; I499-V595 HydrophobicContact CD1-CB 4.45Å; I499-V595 HydrophobicContact CD1-CG2 4.14Å
500	T	95.1	Very high	94.5	Very high	9 Å²	9	51.4 Å²	51.4	6%	0.055	30%	0.303	C	S	.	.	H	α-helix	trans	-65.2	-31.2	-174.6	63.2	0	0	0	0	112.3	I484 A496 D497 L503 K504 T510 V512	I484-T500 HydrophobicContact CD1-CG2 4.09Å; A496-T500 WeakPolarHBondContact O-CG2 3.16Å; A496-T500 PolarHBondContact O-N 3.32Å; A496-T500 PolarHBondContact O-OG1 3.2Å; D497-T500 WeakPolarHBondContact CA-OG1 3.22Å; D497-T500 PolarHBondContact O-N 3.38Å; D497-T500 PolarHBondContact O-OG1 2.61Å; T500-L503 PolarHBondContact O-N 3.19Å; T500-K504 WeakPolarHBondContact O-CB 3.5Å; T500-K504 WeakPolarHBondContact O-CG 3.41Å; T500-K504 PolarHBondContact O-N 2.95Å; T500-T510 HydrophobicContact CG2-CG2 4.28Å; T500-V512 HydrophobicContact CG2-CG2 4.12Å
501	S	93.7	Very high	94.7	Very high	75 Å²	75	55 Å²	55	52%	0.524	32%	0.319	S	S	.	.	H	α-helix	trans	-62.3	-42.2	174.6	-62.5	0	0	0	0	111.9	D497 I499 A505	D497-S501 WeakPolarHBondContact O-CB 3.3Å; D497-S501 PolarHBondContact O-N 3.17Å; D497-S501 PolarHBondContact O-OG 3.38Å; I499-S501 VanDerWaalsContact C-N 3.26Å; I499-S501 PolarHBondContact O-N 2.64Å; S501-A505 VanDerWaalsContact O-CB 3.26Å; S501-A505 WeakPolarHBondContact O-CB 3.39Å; S501-A505 PolarHBondContact O-N 2.64Å; S501-A505 VanDerWaalsContact O-N 3.15Å
502	V	93.3	Very high	94.8	Very high	39 Å²	39	52.8 Å²	52.8	24%	0.236	31%	0.311	C	S	.	.	H	α-helix	trans	-66.3	-48.6	176.9	175.3	0	0	0	0	110.5	P468 L471 Q498 I499 A505 A506	P468-V502 HydrophobicContact CB-CG1 4.47Å; P468-V502 HydrophobicContact CB-CG2 3.93Å; L471-V502 HydrophobicContact CB-CG1 3.97Å; L471-V502 HydrophobicContact CD1-CB 4.23Å; L471-V502 HydrophobicContact CD1-CG1 4.21Å; Q498-V502 WeakPolarHBondContact O-CG2 3.29Å; I499-V502 PolarHBondContact O-N 3.34Å; I499-V502 VanDerWaalsContact O-N 3.15Å; V502-A505 PolarHBondContact O-N 2.96Å; V502-A506 PolarHBondContact O-N 3.4Å
503	L	95	Very high	94.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-66.5	-44.9	-177.5	-67.1	178.2	0	0	0	112.7	V474 A482 I484 I499 T500 A505 A506 G507 V508 T510 I541	V474-L503 HydrophobicContact CB-CD2 4.41Å; V474-L503 HydrophobicContact CG1-CD2 4.2Å; A482-L503 HydrophobicContact CB-CD1 3.78Å; I484-L503 HydrophobicContact CD1-CD1 4.43Å; I499-L503 HydrophobicContact CG2-CD1 3.74Å; I499-L503 HydrophobicContact CG2-CG 4.31Å; I499-L503 WeakPolarHBondContact O-CG 3.42Å; I499-L503 PolarHBondContact O-N 2.85Å; I499-L503 VanDerWaalsContact O-N 3.07Å; T500-L503 PolarHBondContact O-N 3.19Å; L503-A505 VanDerWaalsContact C-N 3.34Å; L503-A505 PolarHBondContact O-N 3.49Å; L503-A506 CarbonylContact O-C 3.43Å; L503-A506 WeakPolarHBondContact O-CB 3.48Å; L503-A506 PolarHBondContact O-N 2.96Å; L503-A506 VanDerWaalsContact O-N 3.09Å; L503-G507 PolarHBondContact O-N 2.6Å; L503-V508 HydrophobicContact CB-CB 4.04Å; L503-V508 HydrophobicContact CB-CG1 4.29Å; L503-V508 WeakPolarHBondContact O-CB 3.23Å; L503-V508 PolarHBondContact O-N 3.26Å; L503-T510 HydrophobicContact CB-CG2 3.82Å; L503-T510 HydrophobicContact CD1-CG2 4.05Å; L503-I541 HydrophobicContact CD1-CD1 3.63Å
504	K	94.4	Very high	95.1	Very high	128 Å²	128	46.9 Å²	46.9	56%	0.557	28%	0.276	S	S	*	.	H	α-helix	trans	-65.9	-36.1	178.7	-72.4	176.7	-178.4	176.9	0	112	T500 A506 G507 T510	T500-K504 WeakPolarHBondContact O-CB 3.5Å; T500-K504 WeakPolarHBondContact O-CG 3.41Å; T500-K504 PolarHBondContact O-N 2.95Å; K504-A506 PolarHBondContact O-N 2.96Å; K504-G507 PolarHBondContact O-N 2.94Å; K504-T510 WeakPolarHBondContact CE-OG1 3.41Å; K504-T510 HydrophobicContact CG-CG2 4.22Å
505	A	92.2	Very high	95.2	Very high	91 Å²	91	48.6 Å²	48.6	75%	0.752	28%	0.279	S	S	*	.	H	α-helix	trans	-60.5	-24.6	174.2	0	0	0	0	0	112.6	S501 V502 L503	S501-A505 VanDerWaalsContact O-CB 3.26Å; S501-A505 WeakPolarHBondContact O-CB 3.39Å; S501-A505 PolarHBondContact O-N 2.64Å; S501-A505 VanDerWaalsContact O-N 3.15Å; V502-A505 PolarHBondContact O-N 2.96Å; L503-A505 VanDerWaalsContact C-N 3.34Å; L503-A505 PolarHBondContact O-N 3.49Å
506	A	90.3	Very high	95.3	Very high	39 Å²	39	47.3 Å²	47.3	32%	0.322	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	3.9	175.9	0	0	0	0	0	114.5	I475 V502 L503 K504	I475-A506 HydrophobicContact CD1-CB 3.19Å; I475-A506 HydrophobicContact CG1-CB 3.55Å; I475-A506 HydrophobicContact CG2-CB 4.25Å; V502-A506 PolarHBondContact O-N 3.4Å; L503-A506 CarbonylContact O-C 3.43Å; L503-A506 WeakPolarHBondContact O-CB 3.48Å; L503-A506 PolarHBondContact O-N 2.96Å; L503-A506 VanDerWaalsContact O-N 3.09Å; K504-A506 PolarHBondContact O-N 2.96Å
507	G	92.7	Very high	95.1	Very high	60 Å²	60	53.1 Å²	53.1	62%	0.619	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	21.2	179.9	0	0	0	0	0	115	L503 K504	L503-G507 PolarHBondContact O-N 2.6Å; K504-G507 PolarHBondContact O-N 2.94Å
508	V	95.7	Very high	94.6	Very high	6 Å²	6	53.2 Å²	53.2	4%	0.036	31%	0.314	C	S	.	.			trans	-83.7	130	172.2	176.5	0	0	0	0	109.3	A482 L503	A482-V508 HydrophobicContact CB-CG1 3.86Å; L503-V508 HydrophobicContact CB-CB 4.04Å; L503-V508 HydrophobicContact CB-CG1 4.29Å; L503-V508 WeakPolarHBondContact O-CB 3.23Å; L503-V508 PolarHBondContact O-N 3.26Å
509	E	97	Very high	94.1	Very high	109 Å²	109	51.4 Å²	51.4	51%	0.509	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	132.6	170.9	-71	-173.1	-160.3	0	0	109.8	K480 R481 A482 F535	K480-E509 PolarHBondContact O-N 3.4Å; R481-E509 CarbonylContact C-O 3.6Å; R481-E509 WeakPolarHBondContact CA-O 3.25Å; R481-E509 IonicContact CZ-OE2 3.08Å; R481-E509 IonicContact NH1-OE1 3.81Å; R481-E509 IonicContact NH1-OE2 3.92Å; R481-E509 PolarHBondContact NH1-OE2 2.82Å; R481-E509 IonicContact NH2-OE2 2.83Å; A482-E509 PolarHBondContact N-O 3.28Å; E509-F535 HydrophobicContact CB-CZ 4.11Å
510	T	97.3	Very high	94	Very high	25 Å²	25	51.8 Å²	51.8	15%	0.153	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133.7	-176.8	64.4	0	0	0	0	111	A482 I484 T500 L503 K504	A482-T510 HydrophobicContact CB-CG2 4.5Å; A482-T510 WeakPolarHBondContact O-CA 3.49Å; I484-T510 HydrophobicContact CD1-CG2 4.11Å; T500-T510 HydrophobicContact CG2-CG2 4.28Å; L503-T510 HydrophobicContact CB-CG2 3.82Å; L503-T510 HydrophobicContact CD1-CG2 4.05Å; K504-T510 WeakPolarHBondContact CE-OG1 3.41Å; K504-T510 HydrophobicContact CG-CG2 4.22Å
511	E	97.9	Very high	93.9	Very high	82 Å²	82	52.9 Å²	52.9	38%	0.383	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	144.1	165	-172.1	56.7	-94.7	0	0	109.4	A482 L483 I484 L531 F535	A482-E511 PolarHBondContact O-N 3.27Å; L483-E511 HydrophobicContact CD1-CB 4.35Å; L483-E511 HydrophobicContact CD1-CG 4.49Å; I484-E511 PolarHBondContact N-O 3.23Å; E511-L531 HydrophobicContact CG-CD1 4.24Å; E511-L531 HydrophobicContact CG-CD2 3.85Å; E511-L531 HydrophobicContact CG-CG 4.38Å; E511-F535 HydrophobicContact CB-CD1 3.97Å; E511-F535 HydrophobicContact CB-CD2 3.77Å; E511-F535 HydrophobicContact CB-CE1 3.96Å; E511-F535 HydrophobicContact CB-CE2 3.78Å; E511-F535 HydrophobicContact CB-CG 3.87Å; E511-F535 HydrophobicContact CB-CZ 3.88Å; E511-F535 HydrophobicContact CG-CD2 4.37Å; E511-F535 HydrophobicContact CG-CG 4.47Å
512	V	98.1	Very high	93.8	Very high	18 Å²	18	50 Å²	50	11%	0.109	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	119.7	-177.6	-169.5	0	0	0	0	110.4	I484 T486 F491 T500 F514	I484-V512 HydrophobicContact CB-CG1 4.35Å; I484-V512 HydrophobicContact CB-CG2 4.33Å; I484-V512 HydrophobicContact CG2-CG1 4.44Å; I484-V512 CarbonylContact O-C 3.57Å; I484-V512 WeakPolarHBondContact O-CA 3.43Å; T486-V512 HydrophobicContact CG2-CG1 3.9Å; F491-V512 HydrophobicContact CD2-CG1 3.86Å; F491-V512 HydrophobicContact CE2-CB 4.32Å; F491-V512 HydrophobicContact CE2-CG1 4.17Å; T500-V512 HydrophobicContact CG2-CG2 4.12Å; V512-F514 HydrophobicContact CB-CD1 4.35Å; V512-F514 HydrophobicContact CG1-CB 4.38Å; V512-F514 HydrophobicContact CG1-CD1 4.09Å; V512-F514 WeakPolarHBondContact O-CD1 3.47Å
513	F	98.3	Very high	93.9	Very high	6 Å²	6	51 Å²	51	3%	0.026	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	106	169.4	-175.2	-101.5	0	0	0	109.7	L483 I484 V485 T486 E515 V516 I524 K527 L531 M555	L483-F513 HydrophobicContact CD1-CB 4.2Å; I484-F513 PolarHBondContact O-N 3.36Å; V485-F513 WeakPolarHBondContact CA-O 3.38Å; V485-F513 HydrophobicContact CG1-CD1 4.32Å; T486-F513 PolarHBondContact N-O 3.5Å; F513-E515 HydrophobicContact CE1-CB 4.28Å; F513-E515 HydrophobicContact CE2-CB 4.08Å; F513-E515 HydrophobicContact CE2-CG 4.29Å; F513-E515 HydrophobicContact CZ-CB 3.82Å; F513-V516 HydrophobicContact CD1-CG2 4Å; F513-V516 HydrophobicContact CE1-CG2 3.84Å; F513-I524 HydrophobicContact CE1-CG2 3.81Å; F513-I524 HydrophobicContact CZ-CG2 4Å; F513-K527 HydrophobicContact CE2-CB 4.47Å; F513-K527 HydrophobicContact CE2-CD 4.29Å; F513-K527 HydrophobicContact CE2-CG 4.07Å; F513-K527 HydrophobicContact CZ-CB 4.38Å; F513-K527 HydrophobicContact CZ-CG 4.41Å; F513-L531 HydrophobicContact CD2-CD1 4.24Å; F513-M555 HydrophobicContact CD1-CE 3.8Å; F513-M555 HydrophobicContact CD1-SD 4.31Å; F513-M555 HydrophobicContact CE1-CE 3.43Å; F513-M555 VanDerWaalsContact CE1-CE 3.43Å; F513-M555 HydrophobicContact CE1-SD 4.48Å; F513-M555 HydrophobicContact CZ-CE 4.33Å
514	F	97.5	Very high	94	Very high	70 Å²	70	52.6 Å²	52.6	31%	0.307	31%	0.312	S	S	.	.			trans	-114.9	16.5	-172	53.4	-96.7	0	0	0	113.6	T486 D487 R488 F491 V512 V516	T486-F514 HydrophobicContact CG2-CB 3.88Å; T486-F514 CarbonylContact O-C 3.53Å; T486-F514 VanDerWaalsContact O-CA 3.27Å; T486-F514 WeakPolarHBondContact O-CA 3.39Å; D487-F514 CarbonylContact C-O 3.51Å; R488-F514 HydrophobicContact CG-CD2 4.24Å; R488-F514 VanDerWaalsContact CG-O 3.22Å; R488-F514 WeakPolarHBondContact CG-O 3.38Å; R488-F514 PolarHBondContact N-O 3.48Å; F491-F514 HydrophobicContact CB-CB 3.8Å; F491-F514 HydrophobicContact CB-CG 4.29Å; F491-F514 HydrophobicContact CD1-CB 4.41Å; F491-F514 HydrophobicContact CD1-CD1 4.06Å; F491-F514 HydrophobicContact CD1-CD2 4.24Å; F491-F514 HydrophobicContact CD1-CE1 4.43Å; F491-F514 AromaticContact CD1-CG 3.96Å; F491-F514 HydrophobicContact CD1-CG 3.96Å; F491-F514 HydrophobicContact CD2-CB 4.41Å; F491-F514 HydrophobicContact CD2-CD1 4.06Å; F491-F514 HydrophobicContact CD2-CG 4.39Å; F491-F514 HydrophobicContact CE1-CD1 4.1Å; F491-F514 HydrophobicContact CE1-CE1 4.06Å; F491-F514 HydrophobicContact CE1-CG 4.4Å; F491-F514 HydrophobicContact CE1-CZ 4.31Å; F491-F514 HydrophobicContact CE2-CD1 4.09Å; F491-F514 HydrophobicContact CE2-CE1 4.42Å; F491-F514 HydrophobicContact CG-CB 3.96Å; F491-F514 HydrophobicContact CG-CD1 4.04Å; F491-F514 AromaticContact CG-CG 3.95Å; F491-F514 HydrophobicContact CG-CG 3.95Å; F491-F514 HydrophobicContact CZ-CD1 4.11Å; F491-F514 HydrophobicContact CZ-CE1 4.05Å; V512-F514 HydrophobicContact CB-CD1 4.35Å; V512-F514 HydrophobicContact CG1-CB 4.38Å; V512-F514 HydrophobicContact CG1-CD1 4.09Å; V512-F514 WeakPolarHBondContact O-CD1 3.47Å; F514-V516 VanDerWaalsContact C-N 3.3Å
515	E	97.4	Very high	94	Very high	55 Å²	55	46.5 Å²	46.5	26%	0.257	29%	0.285	S	S	.	.			trans	-89.5	8.7	-178.7	-60.6	-173.9	-155.6	0	0	113.5	F513 E517 K527	F513-E515 HydrophobicContact CE1-CB 4.28Å; F513-E515 HydrophobicContact CE2-CB 4.08Å; F513-E515 HydrophobicContact CE2-CG 4.29Å; F513-E515 HydrophobicContact CZ-CB 3.82Å; E515-E517 PolarHBondContact O-N 3.26Å; E515-K527 WeakPolarHBondContact OE1-CE 3.26Å; E515-K527 IonicContact OE1-NZ 2.74Å; E515-K527 PolarHBondContact OE1-NZ 2.91Å; E515-K527 WeakPolarHBondContact OE2-CE 3.45Å; E515-K527 IonicContact OE2-NZ 2.75Å; E515-K527 PolarHBondContact OE2-NZ 3.45Å
516	V	96.5	Very high	94.2	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.018	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-74.2	122.1	177.5	-173	0	0	0	0	109.7	V485 T486 D487 F513 F514 P520 I524 P548 A551 M555	V485-V516 HydrophobicContact CG1-CG2 3.77Å; T486-V516 WeakPolarHBondContact O-CB 3.43Å; D487-V516 WeakPolarHBondContact CA-O 3.43Å; D487-V516 VanDerWaalsContact CB-O 3.25Å; D487-V516 WeakPolarHBondContact CB-O 3.27Å; F513-V516 HydrophobicContact CD1-CG2 4Å; F513-V516 HydrophobicContact CE1-CG2 3.84Å; F514-V516 VanDerWaalsContact C-N 3.3Å; V516-P520 HydrophobicContact CG1-CB 4.07Å; V516-I524 HydrophobicContact CG2-CG2 4.22Å; V516-P548 HydrophobicContact CG1-CG 4.42Å; V516-A551 HydrophobicContact CG1-CB 4.13Å; V516-A551 HydrophobicContact CG2-CB 4.25Å; V516-M555 HydrophobicContact CG2-CE 4.29Å
517	E	90.7	Very high	94.5	Very high	122 Å²	122	50.8 Å²	50.8	57%	0.57	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-102.2	170.8	173.3	-59.9	-173.1	174.8	0	0	110.2	E515 S547	E515-E517 PolarHBondContact O-N 3.26Å; E517-S547 VanDerWaalsContact O-CB 3.31Å; E517-S547 WeakPolarHBondContact O-CB 3.42Å
518	A	86	Confident	94.8	Very high	86 Å²	86	48 Å²	48	71%	0.711	25%	0.247	S	C	*	.	S	Bend	trans	-58.7	142.9	172.4	0	0	0	0	0	110.1
519	D	83.6	Confident	94.9	Very high	57 Å²	57	47.9 Å²	47.9	31%	0.305	25%	0.247	S	C	.	.	S	Bend	trans	57.4	64.5	-175.5	-61.5	-32.3	0	0	0	113.4	S547 K619	D519-S547 PolarHBondContact N-OG 2.96Å; D519-K619 WeakPolarHBondContact OD1-CE 3.41Å; D519-K619 IonicContact OD1-NZ 3.87Å; D519-K619 PolarHBondContact OD1-NZ 3.33Å; D519-K619 WeakPolarHBondContact OD2-CE 3.49Å; D519-K619 IonicContact OD2-NZ 3.08Å; D519-K619 PolarHBondContact OD2-NZ 3.19Å
520	P	90.9	Very high	94.9	Very high	7 Å²	7	49 Å²	49	5%	0.045	25%	0.252	C	S	.	.			trans	-61.5	141.4	-165.7	30.5	-36.4	0	0	0	110.9	V516 A551 V611 T612	V516-P520 HydrophobicContact CG1-CB 4.07Å; P520-A551 HydrophobicContact CB-CB 3.86Å; P520-A551 HydrophobicContact CG-CB 4.2Å; P520-V611 WeakPolarHBondContact O-CA 3.28Å; P520-T612 PolarHBondContact O-N 3.49Å
521	T	93	Very high	94.9	Very high	32 Å²	32	50.1 Å²	50.1	20%	0.196	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-100.8	160.1	-175.8	65	0	0	0	0	112.8	S523 I524 V525 T612 D614	T521-S523 VanDerWaalsContact C-N 3.25Å; T521-S523 PolarHBondContact O-N 2.91Å; T521-S523 PolarHBondContact OG1-OG 3.42Å; T521-I524 PolarHBondContact O-N 3.33Å; T521-I524 WeakPolarHBondContact OG1-CG1 3.3Å; T521-V525 WeakPolarHBondContact O-CG2 3.22Å; T521-V525 PolarHBondContact O-N 3.17Å; T521-T612 CarbonylContact C-O 2.92Å; T521-T612 WeakPolarHBondContact CA-O 3.17Å; T521-D614 VanDerWaalsContact CB-CG 3.47Å; T521-D614 WeakPolarHBondContact CB-OD1 3.49Å; T521-D614 WeakPolarHBondContact CB-OD2 3.4Å; T521-D614 WeakPolarHBondContact CG2-OD1 3.24Å; T521-D614 PolarHBondContact OG1-OD1 3.33Å
522	L	92.9	Very high	94.9	Very high	15 Å²	15	46.2 Å²	46.2	8%	0.079	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-33.7	178.2	-170.7	59.6	0	0	0	112.7	V525 R526 M558 F566 V611 T612	L522-V525 PolarHBondContact O-N 3.25Å; L522-R526 WeakPolarHBondContact O-CG 3.33Å; L522-R526 PolarHBondContact O-N 3.19Å; L522-M558 HydrophobicContact CD1-CE 3.58Å; L522-F566 HydrophobicContact CD1-CB 3.95Å; L522-F566 HydrophobicContact CD1-CD1 4.24Å; L522-F566 HydrophobicContact CD1-CD2 3.5Å; L522-F566 HydrophobicContact CD1-CE2 4.01Å; L522-F566 HydrophobicContact CD1-CG 3.62Å; L522-F566 HydrophobicContact CD2-CB 3.8Å; L522-F566 HydrophobicContact CD2-CD1 3.79Å; L522-F566 HydrophobicContact CD2-CD2 4.49Å; L522-F566 HydrophobicContact CD2-CE1 4.5Å; L522-F566 HydrophobicContact CD2-CG 3.78Å; L522-F566 HydrophobicContact CG-CG 4.34Å; L522-V611 HydrophobicContact CB-CG1 4.36Å; L522-T612 PolarHBondContact N-O 3.4Å
523	S	94.9	Very high	94.9	Very high	60 Å²	60	48.1 Å²	48.1	42%	0.42	25%	0.248	S	C	.	.	H	α-helix	trans	-62	-44	174.6	51.9	0	0	0	0	112.5	T521 V525 R526 K527 D614	T521-S523 VanDerWaalsContact C-N 3.25Å; T521-S523 PolarHBondContact O-N 2.91Å; T521-S523 PolarHBondContact OG1-OG 3.42Å; S523-V525 VanDerWaalsContact C-N 3.35Å; S523-R526 PolarHBondContact O-N 2.78Å; S523-K527 WeakPolarHBondContact O-CB 3.35Å; S523-K527 PolarHBondContact O-N 3.12Å; S523-D614 WeakPolarHBondContact CA-OD2 3.42Å; S523-D614 WeakPolarHBondContact CB-OD2 3.47Å; S523-D614 PolarHBondContact N-OD2 3.29Å; S523-D614 PolarHBondContact OG-OD1 2.97Å; S523-D614 PolarHBondContact OG-OD2 3.18Å
524	I	96	Very high	94.9	Very high	33 Å²	33	52.3 Å²	52.3	17%	0.169	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-41.5	175.2	-65.9	-61	0	0	0	110.9	F513 V516 T521 K527 G528 M555	F513-I524 HydrophobicContact CE1-CG2 3.81Å; F513-I524 HydrophobicContact CZ-CG2 4Å; V516-I524 HydrophobicContact CG2-CG2 4.22Å; T521-I524 PolarHBondContact O-N 3.33Å; T521-I524 WeakPolarHBondContact OG1-CG1 3.3Å; I524-K527 PolarHBondContact O-N 3.2Å; I524-G528 PolarHBondContact O-N 3.04Å; I524-M555 HydrophobicContact CG2-CE 4.26Å; I524-M555 WeakPolarHBondContact O-CE 3.4Å
525	V	96.1	Very high	94.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.6	-46.9	174.4	169.5	0	0	0	0	111.5	T521 L522 S523 K527 G528 A529 A551 I554 M555 M558 V611	T521-V525 WeakPolarHBondContact O-CG2 3.22Å; T521-V525 PolarHBondContact O-N 3.17Å; L522-V525 PolarHBondContact O-N 3.25Å; S523-V525 VanDerWaalsContact C-N 3.35Å; V525-K527 VanDerWaalsContact C-N 3.33Å; V525-K527 PolarHBondContact O-N 3.21Å; V525-G528 PolarHBondContact O-N 3.5Å; V525-A529 WeakPolarHBondContact O-CB 3.46Å; V525-A529 PolarHBondContact O-N 3.27Å; V525-A551 HydrophobicContact CG2-CB 4.16Å; V525-I554 HydrophobicContact CG1-CB 3.75Å; V525-I554 HydrophobicContact CG1-CG2 3.53Å; V525-I554 HydrophobicContact CG2-CB 4.36Å; V525-M555 HydrophobicContact CG1-CG 4.17Å; V525-M555 WeakPolarHBondContact O-CG 3.46Å; V525-M558 HydrophobicContact CG1-CE 4.07Å; V525-M558 HydrophobicContact CG1-SD 3.86Å; V525-V611 HydrophobicContact CG2-CG1 4.21Å; V525-V611 HydrophobicContact CG2-CG2 4.19Å
526	R	95.7	Very high	94.9	Very high	129 Å²	129	53.9 Å²	53.9	49%	0.487	28%	0.284	S	S	.	.	H	α-helix	trans	-62.8	-40.5	178	-72.5	179.5	-170.9	-73.5	2.6	111.9	L522 S523 A529 E530 M558	L522-R526 WeakPolarHBondContact O-CG 3.33Å; L522-R526 PolarHBondContact O-N 3.19Å; S523-R526 PolarHBondContact O-N 2.78Å; R526-A529 PolarHBondContact O-N 2.98Å; R526-E530 WeakPolarHBondContact O-CB 3.49Å; R526-E530 PolarHBondContact O-N 3.42Å; R526-M558 HydrophobicContact CG-CE 4.39Å; R526-M558 HydrophobicContact CG-SD 3.94Å
527	K	97.4	Very high	95	Very high	92 Å²	92	53.8 Å²	53.8	40%	0.4	28%	0.283	S	S	.	.	H	α-helix	trans	-63.2	-42.8	176	-171	176.3	177.7	-179.2	0	112	F513 E515 S523 I524 V525 E530 L531	F513-K527 HydrophobicContact CE2-CB 4.47Å; F513-K527 HydrophobicContact CE2-CD 4.29Å; F513-K527 HydrophobicContact CE2-CG 4.07Å; F513-K527 HydrophobicContact CZ-CB 4.38Å; F513-K527 HydrophobicContact CZ-CG 4.41Å; E515-K527 WeakPolarHBondContact OE1-CE 3.26Å; E515-K527 IonicContact OE1-NZ 2.74Å; E515-K527 PolarHBondContact OE1-NZ 2.91Å; E515-K527 WeakPolarHBondContact OE2-CE 3.45Å; E515-K527 IonicContact OE2-NZ 2.75Å; E515-K527 PolarHBondContact OE2-NZ 3.45Å; S523-K527 WeakPolarHBondContact O-CB 3.35Å; S523-K527 PolarHBondContact O-N 3.12Å; I524-K527 PolarHBondContact O-N 3.2Å; V525-K527 VanDerWaalsContact C-N 3.33Å; V525-K527 PolarHBondContact O-N 3.21Å; K527-E530 PolarHBondContact O-N 3.17Å; K527-L531 PolarHBondContact O-N 3.04Å; K527-L531 VanDerWaalsContact O-N 3.08Å
528	G	97.7	Very high	95.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.3	-39	173.9	0	0	0	0	0	112.8	I524 V525 L531 A532	I524-G528 PolarHBondContact O-N 3.04Å; V525-G528 PolarHBondContact O-N 3.5Å; G528-L531 PolarHBondContact O-N 3.25Å; G528-A532 WeakPolarHBondContact O-CB 3.44Å; G528-A532 PolarHBondContact O-N 3.01Å
529	A	97.2	Very high	95.8	Very high	5 Å²	5	45.6 Å²	45.6	4%	0.041	23%	0.232	C	C	.	.	H	α-helix	trans	-67.5	-37	175.4	0	0	0	0	0	112.7	V525 R526 A532 N533 M558	V525-A529 WeakPolarHBondContact O-CB 3.46Å; V525-A529 PolarHBondContact O-N 3.27Å; R526-A529 PolarHBondContact O-N 2.98Å; A529-A532 PolarHBondContact O-N 3.37Å; A529-N533 WeakPolarHBondContact O-CB 3.32Å; A529-N533 PolarHBondContact O-N 3.21Å; A529-N533 PolarHBondContact O-ND2 3.04Å; A529-M558 HydrophobicContact CB-CB 3.58Å; A529-M558 HydrophobicContact CB-SD 4.47Å
530	E	97.6	Very high	96.5	Very high	132 Å²	132	42.9 Å²	42.9	62%	0.617	22%	0.217	S	C	*	.	H	α-helix	trans	-61.6	-44.5	172.9	-178.2	179.5	-173.7	0	0	111.3	R526 K527 N533 S534	R526-E530 WeakPolarHBondContact O-CB 3.49Å; R526-E530 PolarHBondContact O-N 3.42Å; K527-E530 PolarHBondContact O-N 3.17Å; E530-N533 PolarHBondContact O-N 2.86Å; E530-S534 PolarHBondContact O-N 2.75Å; E530-S534 VanDerWaalsContact O-N 3.09Å; E530-S534 PolarHBondContact O-OG 3.04Å
531	L	98.1	Very high	96.9	Very high	48 Å²	48	42.5 Å²	42.5	25%	0.251	22%	0.215	S	C	.	.	H	α-helix	trans	-62.6	-44.5	173.9	-178.3	148	0	0	0	111.2	L483 E511 F513 K527 G528 N533 S534 F535	L483-L531 HydrophobicContact CD1-CD2 3.33Å; L483-L531 HydrophobicContact CD2-CD2 4.02Å; L483-L531 HydrophobicContact CG-CD2 4.31Å; E511-L531 HydrophobicContact CG-CD1 4.24Å; E511-L531 HydrophobicContact CG-CD2 3.85Å; E511-L531 HydrophobicContact CG-CG 4.38Å; F513-L531 HydrophobicContact CD2-CD1 4.24Å; K527-L531 PolarHBondContact O-N 3.04Å; K527-L531 VanDerWaalsContact O-N 3.08Å; G528-L531 PolarHBondContact O-N 3.25Å; L531-N533 VanDerWaalsContact C-N 3.35Å; L531-N533 PolarHBondContact O-N 2.89Å; L531-S534 PolarHBondContact O-N 3.07Å; L531-F535 WeakPolarHBondContact O-CB 3.42Å; L531-F535 PolarHBondContact O-N 2.98Å
532	A	98.2	Very high	97.1	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.4	-42.2	175.7	0	0	0	0	0	112.1	L483 G528 A529 S534 F535 K536 P537 Y559	L483-A532 HydrophobicContact CD2-CB 3.68Å; G528-A532 WeakPolarHBondContact O-CB 3.44Å; G528-A532 PolarHBondContact O-N 3.01Å; A529-A532 PolarHBondContact O-N 3.37Å; A532-S534 VanDerWaalsContact C-N 3.26Å; A532-S534 PolarHBondContact O-N 2.74Å; A532-F535 PolarHBondContact O-N 3.3Å; A532-K536 WeakPolarHBondContact O-CA 3.45Å; A532-K536 PolarHBondContact O-N 3.38Å; A532-P537 HydrophobicContact CB-CG 4.26Å; A532-P537 WeakPolarHBondContact O-CD 3.41Å; A532-Y559 HydrophobicContact CB-CD2 3.87Å; A532-Y559 HydrophobicContact CB-CG 3.94Å; A532-Y559 WeakPolarHBondContact O-CE2 3.25Å
533	N	97.2	Very high	97.3	Very high	58 Å²	58	40.3 Å²	40.3	31%	0.31	20%	0.202	S	C	.	.	H	α-helix	trans	-63.5	-32.6	177.4	-82.7	-59.8	0	0	0	113	A529 E530 L531 K536	A529-N533 WeakPolarHBondContact O-CB 3.32Å; A529-N533 PolarHBondContact O-N 3.21Å; A529-N533 PolarHBondContact O-ND2 3.04Å; E530-N533 PolarHBondContact O-N 2.86Å; L531-N533 VanDerWaalsContact C-N 3.35Å; L531-N533 PolarHBondContact O-N 2.89Å; N533-K536 WeakPolarHBondContact O-CG 3.43Å
534	S	97.6	Very high	97.4	Very high	94 Å²	94	37.5 Å²	37.5	66%	0.657	18%	0.182	S	C	*	.	H	α-helix	trans	-77.3	-48.6	177.1	-57.1	0	0	0	0	112	E530 L531 A532	E530-S534 PolarHBondContact O-N 2.75Å; E530-S534 VanDerWaalsContact O-N 3.09Å; E530-S534 PolarHBondContact O-OG 3.04Å; L531-S534 PolarHBondContact O-N 3.07Å; A532-S534 VanDerWaalsContact C-N 3.26Å; A532-S534 PolarHBondContact O-N 2.74Å
535	F	98.1	Very high	97.2	Very high	25 Å²	25	36.7 Å²	36.7	11%	0.11	18%	0.182	C	C	.	.	H	α-helix	trans	-75.8	-25.5	-178.4	-174.8	-108.3	0	0	0	113	R481 A482 E509 E511 L531 A532 P537	R481-F535 HydrophobicContact CB-CE1 3.98Å; R481-F535 HydrophobicContact CB-CZ 4.36Å; R481-F535 PolarHBondContact NE-O 2.93Å; R481-F535 VanDerWaalsContact NH2-CD2 3.29Å; R481-F535 PolarHBondContact NH2-O 3.28Å; A482-F535 WeakPolarHBondContact O-CE1 3.46Å; E509-F535 HydrophobicContact CB-CZ 4.11Å; E511-F535 HydrophobicContact CB-CD1 3.97Å; E511-F535 HydrophobicContact CB-CD2 3.77Å; E511-F535 HydrophobicContact CB-CE1 3.96Å; E511-F535 HydrophobicContact CB-CE2 3.78Å; E511-F535 HydrophobicContact CB-CG 3.87Å; E511-F535 HydrophobicContact CB-CZ 3.88Å; E511-F535 HydrophobicContact CG-CD2 4.37Å; E511-F535 HydrophobicContact CG-CG 4.47Å; L531-F535 WeakPolarHBondContact O-CB 3.42Å; L531-F535 PolarHBondContact O-N 2.98Å; A532-F535 PolarHBondContact O-N 3.3Å; F535-P537 HydrophobicContact CD1-CB 4.13Å; F535-P537 HydrophobicContact CE1-CB 4.47Å
536	K	97.9	Very high	96.9	Very high	133 Å²	133	37.4 Å²	37.4	58%	0.578	19%	0.19	S	C	*	.			trans	52.1	61.7	-178.2	-59.2	180	-178	-63.3	0	112.7	R481 A532 N533 Y559	R481-K536 WeakPolarHBondContact CD-O 3.21Å; R481-K536 PolarHBondContact NE-O 2.76Å; A532-K536 WeakPolarHBondContact O-CA 3.45Å; A532-K536 PolarHBondContact O-N 3.38Å; N533-K536 WeakPolarHBondContact O-CG 3.43Å; K536-Y559 WeakPolarHBondContact CA-OH 2.99Å
537	P	97.9	Very high	96.7	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.006	17%	0.174	C	C	.	.			trans	-64.9	148.9	176.7	29.5	-33.9	0	0	0	111.1	R481 L483 A532 F535 V539 I540 Y559	R481-P537 CarbonylContact O-C 3.56Å; R481-P537 VanDerWaalsContact O-CA 3.27Å; R481-P537 WeakPolarHBondContact O-CA 3.09Å; R481-P537 WeakPolarHBondContact O-CB 3.42Å; L483-P537 HydrophobicContact CB-CB 3.83Å; L483-P537 HydrophobicContact CB-CG 3.93Å; L483-P537 HydrophobicContact CD2-CG 4.38Å; A532-P537 HydrophobicContact CB-CG 4.26Å; A532-P537 WeakPolarHBondContact O-CD 3.41Å; F535-P537 HydrophobicContact CD1-CB 4.13Å; F535-P537 HydrophobicContact CE1-CB 4.47Å; P537-V539 WeakPolarHBondContact CB-O 3.45Å; P537-I540 HydrophobicContact CB-CG1 4.49Å; P537-I540 HydrophobicContact CG-CG1 4.11Å; P537-Y559 HydrophobicContact CG-CE1 4.03Å; P537-Y559 WeakPolarHBondContact O-CE1 3.45Å; P537-Y559 PolarHBondContact O-OH 3.19Å
538	D	96.7	Very high	96.7	Very high	36 Å²	36	28.1 Å²	28.1	19%	0.193	16%	0.156	C	C	.	.	S	Bend	trans	-101.2	-6.8	165.5	51.6	47.8	0	0	0	111.8	H479 K480 R481 A590 K591	H479-D538 WeakPolarHBondContact CA-OD1 3.32Å; H479-D538 WeakPolarHBondContact CB-OD1 3.32Å; H479-D538 PolarHBondContact CE1-O 2.78Å; H479-D538 IonicContact CG-OD1 3.83Å; H479-D538 PolarHBondContact ND1-O 3.3Å; H479-D538 VanDerWaalsContact ND1-O 3.11Å; H479-D538 IonicContact ND1-OD1 3.69Å; K480-D538 WeakPolarHBondContact CA-OD2 3.45Å; K480-D538 PolarHBondContact N-OD1 2.64Å; K480-D538 PolarHBondContact N-OD2 3.48Å; R481-D538 VanDerWaalsContact N-CG 3.3Å; R481-D538 PolarHBondContact N-OD1 2.84Å; R481-D538 PolarHBondContact N-OD2 2.92Å; R481-D538 PolarHBondContact O-N 3.42Å; R481-D538 VanDerWaalsContact O-OD1 3.13Å; D538-A590 VanDerWaalsContact O-CA 3.24Å; D538-A590 WeakPolarHBondContact O-CA 3.44Å; D538-K591 PolarHBondContact O-N 3.27Å; D538-K591 VanDerWaalsContact O-N 3.11Å
539	V	97.5	Very high	96.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	137.6	168.5	63.2	0	0	0	0	110.7	V474 H479 R481 A482 L483 P537 I541 K591 I593	V474-V539 HydrophobicContact CG1-CG1 3.96Å; H479-V539 HydrophobicContact CB-CB 4.42Å; H479-V539 HydrophobicContact CB-CG1 4.19Å; R481-V539 PolarHBondContact O-N 3.39Å; A482-V539 WeakPolarHBondContact CA-O 3.33Å; A482-V539 HydrophobicContact CB-CG1 3.69Å; L483-V539 PolarHBondContact N-O 2.93Å; P537-V539 WeakPolarHBondContact CB-O 3.45Å; V539-I541 HydrophobicContact CG2-CG1 4.17Å; V539-K591 CarbonylContact C-O 3.54Å; V539-K591 WeakPolarHBondContact CA-O 3.21Å; V539-K591 HydrophobicContact CG2-CB 4.23Å; V539-I593 HydrophobicContact CG2-CD1 3.67Å; V539-I593 HydrophobicContact CG2-CG1 3.86Å
540	I	98.3	Very high	96.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129.1	172.2	-59.5	175.2	0	0	0	107.2	L483 V485 P537 A552 W556 Y559 A590 K591 M592 I593	L483-I540 HydrophobicContact CB-CG1 4.44Å; L483-I540 CarbonylContact O-C 3.59Å; L483-I540 WeakPolarHBondContact O-CA 3.32Å; V485-I540 HydrophobicContact CG2-CG2 4.18Å; P537-I540 HydrophobicContact CB-CG1 4.49Å; P537-I540 HydrophobicContact CG-CG1 4.11Å; I540-A552 HydrophobicContact CG2-CB 4.39Å; I540-W556 HydrophobicContact CD1-CB 3.91Å; I540-W556 HydrophobicContact CD1-CG 4.18Å; I540-Y559 HydrophobicContact CD1-CD1 4.26Å; I540-A590 HydrophobicContact CD1-CB 4.33Å; I540-A590 HydrophobicContact CG1-CB 4.09Å; I540-K591 PolarHBondContact N-O 3.4Å; I540-M592 HydrophobicContact CB-SD 3.93Å; I540-M592 HydrophobicContact CG2-CE 4.4Å; I540-M592 HydrophobicContact CG2-SD 3.72Å; I540-I593 PolarHBondContact O-N 3.23Å
541	I	98.1	Very high	96.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	111.2	-179.5	-55.8	174.7	0	0	0	108.1	L471 A482 L483 I484 V485 I499 L503 V539 I593 V595	L471-I541 HydrophobicContact CD2-CD1 4.11Å; A482-I541 HydrophobicContact CB-CD1 4.23Å; L483-I541 PolarHBondContact O-N 3.27Å; I484-I541 CarbonylContact C-O 3.59Å; I484-I541 VanDerWaalsContact CA-O 3.28Å; I484-I541 WeakPolarHBondContact CA-O 3.46Å; I484-I541 HydrophobicContact CG1-CB 4.39Å; V485-I541 PolarHBondContact N-O 3.44Å; I499-I541 HydrophobicContact CD1-CG2 4.17Å; I499-I541 HydrophobicContact CG2-CD1 4.17Å; L503-I541 HydrophobicContact CD1-CD1 3.63Å; V539-I541 HydrophobicContact CG2-CG1 4.17Å; I541-I593 CarbonylContact C-O 3.59Å; I541-I593 VanDerWaalsContact CA-O 3.29Å; I541-I593 WeakPolarHBondContact CA-O 3.3Å; I541-I593 HydrophobicContact CG1-CB 4.26Å; I541-V595 HydrophobicContact CG2-CG2 3.94Å
542	A	98.3	Very high	96.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.4	168.9	0	0	0	0	0	110.5	V485 M549 A552 M592 I593 V595	V485-A542 CarbonylContact O-C 3.55Å; V485-A542 WeakPolarHBondContact O-CA 3.45Å; A542-M549 HydrophobicContact CB-CB 4.25Å; A542-M549 HydrophobicContact CB-CG 3.76Å; A542-A552 HydrophobicContact CB-CB 3.75Å; A542-M592 HydrophobicContact CB-CE 3.47Å; A542-M592 VanDerWaalsContact CB-CE 3.47Å; A542-I593 PolarHBondContact N-O 2.87Å; A542-V595 PolarHBondContact O-N 2.81Å
543	L	97.8	Very high	96.5	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.5	172.9	174.2	65.1	0	0	0	109	I484 V485 T486 L490 A496 I499 P548 V595 T597 L638	I484-L543 HydrophobicContact CG2-CB 4.4Å; V485-L543 PolarHBondContact O-N 3.18Å; T486-L543 WeakPolarHBondContact CA-O 3.38Å; T486-L543 PolarHBondContact OG1-O 2.96Å; L490-L543 HydrophobicContact CB-CD2 4.5Å; L490-L543 HydrophobicContact CD1-CG 4.31Å; A496-L543 HydrophobicContact CB-CD2 4.21Å; I499-L543 HydrophobicContact CD1-CB 4.08Å; I499-L543 HydrophobicContact CD1-CD1 3.99Å; I499-L543 HydrophobicContact CD1-CD2 3.95Å; I499-L543 HydrophobicContact CD1-CG 4.21Å; L543-P548 VanDerWaalsContact O-CB 3.3Å; L543-P548 WeakPolarHBondContact O-CB 3.31Å; L543-V595 WeakPolarHBondContact CA-O 3.43Å; L543-V595 HydrophobicContact CD1-CB 4.01Å; L543-V595 HydrophobicContact CD1-CG1 3.75Å; L543-T597 HydrophobicContact CD1-CG2 3.52Å; L543-T597 HydrophobicContact CG-CG2 4.39Å; L543-L638 HydrophobicContact CD1-CD1 4.39Å
544	G	95.7	Very high	96.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138.1	-143.6	176.1	0	0	0	0	0	113.4	L490 V595 T596 T597	L490-G544 VanDerWaalsContact CD1-CA 3.5Å; G544-V595 PolarHBondContact N-O 3.49Å; G544-T596 CarbonylContact O-C 3.16Å; G544-T596 VanDerWaalsContact O-CA 3.25Å; G544-T596 WeakPolarHBondContact O-CA 3.47Å; G544-T597 WeakPolarHBondContact CA-OG1 3.24Å; G544-T597 PolarHBondContact O-N 2.67Å
545	G	91.5	Very high	96.5	Very high	16 Å²	16	12.7 Å²	12.7	17%	0.165	7%	0.07	C	C	.	.	S	Bend	trans	-149.7	136.1	179.3	0	0	0	0	0	112.4	S547 P548	G545-S547 PolarHBondContact O-N 3.48Å; G545-P548 WeakPolarHBondContact O-CD 3.43Å
546	G	89.7	Confident	96.5	Very high	16 Å²	16	11.7 Å²	11.7	17%	0.165	7%	0.065	C	C	.	.	S	Bend	trans	59	-95.6	-177.6	0	0	0	0	0	110.8	M549 D550 T601	G546-M549 PolarHBondContact O-N 3.12Å; G546-D550 WeakPolarHBondContact O-CB 3.37Å; G546-D550 VanDerWaalsContact O-CG 3.32Å; G546-D550 PolarHBondContact O-N 3.38Å; G546-T601 WeakPolarHBondContact CA-OG1 3.24Å; G546-T601 PolarHBondContact N-OG1 3.33Å
547	S	92.8	Very high	96.4	Very high	22 Å²	22	5.3 Å²	5.3	15%	0.154	4%	0.038	C	C	.	.	H	α-helix	trans	-49.6	-52.4	-171.1	-50.1	0	0	0	0	114.9	E517 D519 G545 M549 A551	E517-S547 VanDerWaalsContact O-CB 3.31Å; E517-S547 WeakPolarHBondContact O-CB 3.42Å; D519-S547 PolarHBondContact N-OG 2.96Å; G545-S547 PolarHBondContact O-N 3.48Å; S547-M549 PolarHBondContact O-N 3.03Å; S547-A551 VanDerWaalsContact O-CB 3.22Å; S547-A551 WeakPolarHBondContact O-CB 3.48Å; S547-A551 PolarHBondContact O-N 3.18Å
548	P	96.2	Very high	96.4	Very high	4 Å²	4	5.8 Å²	5.8	3%	0.026	4%	0.04	C	C	.	.	H	α-helix	trans	-66.3	-37.6	178.3	-22.6	37	0	0	0	113.5	D487 V516 L543 G545 A552	D487-P548 HydrophobicContact CB-CG 4.46Å; V516-P548 HydrophobicContact CG1-CG 4.42Å; L543-P548 VanDerWaalsContact O-CB 3.3Å; L543-P548 WeakPolarHBondContact O-CB 3.31Å; G545-P548 WeakPolarHBondContact O-CD 3.43Å; P548-A552 WeakPolarHBondContact O-CB 3.5Å; P548-A552 PolarHBondContact O-N 3.27Å
549	M	97.4	Very high	96.4	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-70	-44.9	-180	-72.5	-167	-82.4	0	0	111.9	A542 G546 S547 A552 K553 A594 T601 E604	A542-M549 HydrophobicContact CB-CB 4.25Å; A542-M549 HydrophobicContact CB-CG 3.76Å; G546-M549 PolarHBondContact O-N 3.12Å; S547-M549 PolarHBondContact O-N 3.03Å; M549-A552 PolarHBondContact O-N 2.89Å; M549-K553 VanDerWaalsContact O-CG 3.29Å; M549-K553 WeakPolarHBondContact O-CG 3.28Å; M549-K553 PolarHBondContact O-N 2.77Å; M549-A594 HydrophobicContact SD-CB 3.88Å; M549-T601 HydrophobicContact CE-CG2 3.51Å; M549-E604 HydrophobicContact CE-CB 4.46Å; M549-E604 HydrophobicContact SD-CB 3.75Å; M549-E604 PolarHBondContact SD-N 2.99Å
550	D	96.3	Very high	96.4	Very high	12 Å²	12	5.1 Å²	5.1	6%	0.064	4%	0.035	C	C	.	.	H	α-helix	trans	-66.5	-45.7	-179.4	-69	7.9	0	0	0	110.5	G546 A552 K553 I554 S603 A609 V610	G546-D550 WeakPolarHBondContact O-CB 3.37Å; G546-D550 VanDerWaalsContact O-CG 3.32Å; G546-D550 PolarHBondContact O-N 3.38Å; D550-A552 PolarHBondContact O-N 3.3Å; D550-K553 PolarHBondContact O-N 3.29Å; D550-I554 WeakPolarHBondContact O-CG1 3.1Å; D550-I554 PolarHBondContact O-N 3.43Å; D550-S603 WeakPolarHBondContact OD1-CB 3.39Å; D550-S603 PolarHBondContact OD1-OG 3.04Å; D550-A609 HydrophobicContact CB-CB 4.09Å; D550-V610 PolarHBondContact OD2-N 2.65Å
551	A	96.7	Very high	96.4	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-61	-44.7	176	0	0	0	0	0	111.7	V516 P520 V525 S547 K553 I554 M555	V516-A551 HydrophobicContact CG1-CB 4.13Å; V516-A551 HydrophobicContact CG2-CB 4.25Å; P520-A551 HydrophobicContact CB-CB 3.86Å; P520-A551 HydrophobicContact CG-CB 4.2Å; V525-A551 HydrophobicContact CG2-CB 4.16Å; S547-A551 VanDerWaalsContact O-CB 3.22Å; S547-A551 WeakPolarHBondContact O-CB 3.48Å; S547-A551 PolarHBondContact O-N 3.18Å; A551-K553 PolarHBondContact O-N 2.8Å; A551-I554 PolarHBondContact O-N 2.99Å; A551-M555 HydrophobicContact CB-CE 3.93Å; A551-M555 VanDerWaalsContact O-CG 3.23Å; A551-M555 WeakPolarHBondContact O-CG 3.22Å; A551-M555 PolarHBondContact O-N 2.95Å
552	A	98	Very high	96.2	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.8	-39.8	179.5	0	0	0	0	0	112.9	V485 I540 A542 P548 M549 D550 I554 M555 W556 M592	V485-A552 HydrophobicContact CB-CB 3.8Å; V485-A552 HydrophobicContact CG1-CB 3.88Å; V485-A552 HydrophobicContact CG2-CB 3.95Å; I540-A552 HydrophobicContact CG2-CB 4.39Å; A542-A552 HydrophobicContact CB-CB 3.75Å; P548-A552 WeakPolarHBondContact O-CB 3.5Å; P548-A552 PolarHBondContact O-N 3.27Å; M549-A552 PolarHBondContact O-N 2.89Å; D550-A552 PolarHBondContact O-N 3.3Å; A552-I554 VanDerWaalsContact C-N 3.28Å; A552-I554 PolarHBondContact O-N 3.14Å; A552-M555 PolarHBondContact O-N 3.32Å; A552-W556 WeakPolarHBondContact O-CB 3.46Å; A552-W556 PolarHBondContact O-N 3.18Å; A552-M592 HydrophobicContact CB-CE 3.47Å; A552-M592 VanDerWaalsContact CB-CE 3.47Å; A552-M592 HydrophobicContact CB-SD 4.36Å
553	K	97.3	Very high	96	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.5	-36.7	175.1	-72.1	172.1	-172.4	-175.8	0	112.1	M549 D550 A551 W556 V557 M592 S603 T606 F608 A609 L627	M549-K553 VanDerWaalsContact O-CG 3.29Å; M549-K553 WeakPolarHBondContact O-CG 3.28Å; M549-K553 PolarHBondContact O-N 2.77Å; D550-K553 PolarHBondContact O-N 3.29Å; A551-K553 PolarHBondContact O-N 2.8Å; K553-W556 WeakPolarHBondContact O-CB 3.45Å; K553-V557 PolarHBondContact O-N 3.08Å; K553-M592 HydrophobicContact CG-CE 4.45Å; K553-S603 VanDerWaalsContact CE-O 3.22Å; K553-S603 WeakPolarHBondContact CE-O 3.43Å; K553-S603 PolarHBondContact NZ-O 3.45Å; K553-T606 PolarHBondContact NZ-O 3.18Å; K553-F608 PolarHBondContact NZ-O 2.8Å; K553-A609 HydrophobicContact CB-CB 4.37Å; K553-A609 HydrophobicContact CD-CB 4.27Å; K553-L627 HydrophobicContact CB-CD2 4.42Å; K553-L627 HydrophobicContact CD-CB 4.49Å; K553-L627 WeakPolarHBondContact CD-O 3.49Å
554	I	96.1	Very high	95.7	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-80.5	-36.3	177.5	-50.1	-47.8	0	0	0	111.7	V525 D550 A551 A552 W556 V557 M558 A609 V611 L622 L627	V525-I554 HydrophobicContact CG1-CB 3.75Å; V525-I554 HydrophobicContact CG1-CG2 3.53Å; V525-I554 HydrophobicContact CG2-CB 4.36Å; D550-I554 WeakPolarHBondContact O-CG1 3.1Å; D550-I554 PolarHBondContact O-N 3.43Å; A551-I554 PolarHBondContact O-N 2.99Å; A552-I554 VanDerWaalsContact C-N 3.28Å; A552-I554 PolarHBondContact O-N 3.14Å; I554-W556 PolarHBondContact O-N 2.94Å; I554-V557 WeakPolarHBondContact O-CB 3.46Å; I554-V557 PolarHBondContact O-N 2.99Å; I554-V557 VanDerWaalsContact O-N 3.13Å; I554-M558 HydrophobicContact CG2-CE 4.15Å; I554-M558 PolarHBondContact O-N 3.19Å; I554-A609 HydrophobicContact CD1-CB 3.74Å; I554-A609 HydrophobicContact CG1-CB 4.12Å; I554-V611 HydrophobicContact CG1-CG2 3.77Å; I554-L622 HydrophobicContact CD1-CD1 3.5Å; I554-L622 HydrophobicContact CD1-CD2 3.88Å; I554-L622 HydrophobicContact CD1-CG 4.05Å; I554-L622 HydrophobicContact CG1-CD2 4.33Å; I554-L627 HydrophobicContact CD1-CD1 4.16Å; I554-L627 HydrophobicContact CD1-CD2 4.36Å
555	M	97.7	Very high	95.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-56.5	-39.1	169.4	-69.4	164.7	-171.6	0	0	110.6	V485 F513 V516 I524 V525 A551 A552 M558 Y559	V485-M555 HydrophobicContact CG1-CE 4.41Å; V485-M555 HydrophobicContact CG1-SD 4.03Å; V485-M555 HydrophobicContact CG2-SD 3.96Å; F513-M555 HydrophobicContact CD1-CE 3.8Å; F513-M555 HydrophobicContact CD1-SD 4.31Å; F513-M555 HydrophobicContact CE1-CE 3.43Å; F513-M555 VanDerWaalsContact CE1-CE 3.43Å; F513-M555 HydrophobicContact CE1-SD 4.48Å; F513-M555 HydrophobicContact CZ-CE 4.33Å; V516-M555 HydrophobicContact CG2-CE 4.29Å; I524-M555 HydrophobicContact CG2-CE 4.26Å; I524-M555 WeakPolarHBondContact O-CE 3.4Å; V525-M555 HydrophobicContact CG1-CG 4.17Å; V525-M555 WeakPolarHBondContact O-CG 3.46Å; A551-M555 HydrophobicContact CB-CE 3.93Å; A551-M555 VanDerWaalsContact O-CG 3.23Å; A551-M555 WeakPolarHBondContact O-CG 3.22Å; A551-M555 PolarHBondContact O-N 2.95Å; A552-M555 PolarHBondContact O-N 3.32Å; M555-M558 PolarHBondContact O-N 3.47Å; M555-Y559 WeakPolarHBondContact O-CB 3.47Å; M555-Y559 PolarHBondContact O-N 2.92Å
556	W	98.1	Very high	95.2	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.015	12%	0.118	C	C	.	.	H	α-helix	trans	-60.7	-47.4	174.8	-178	33.3	0	0	0	111.8	I540 A552 K553 I554 Y559 E560 M586 G587 A590 M592 A626 D630	I540-W556 HydrophobicContact CD1-CB 3.91Å; I540-W556 HydrophobicContact CD1-CG 4.18Å; A552-W556 WeakPolarHBondContact O-CB 3.46Å; A552-W556 PolarHBondContact O-N 3.18Å; K553-W556 WeakPolarHBondContact O-CB 3.45Å; I554-W556 PolarHBondContact O-N 2.94Å; W556-Y559 PolarHBondContact O-N 2.91Å; W556-E560 PolarHBondContact NE1-OE1 3.34Å; W556-E560 WeakPolarHBondContact O-CG 3.15Å; W556-E560 PolarHBondContact O-N 2.83Å; W556-M586 HydrophobicContact CB-CE 4.38Å; W556-M586 HydrophobicContact CD2-CE 3.58Å; W556-M586 HydrophobicContact CE3-CE 4.14Å; W556-M586 HydrophobicContact CG-CE 3.66Å; W556-M586 HydrophobicContact CH2-CB 3.77Å; W556-M586 HydrophobicContact CZ2-CB 3.76Å; W556-M586 HydrophobicContact CZ2-CE 4.49Å; W556-M586 HydrophobicContact CZ3-CB 4.15Å; W556-M586 WeakPolarHBondContact O-CE 3.3Å; W556-G587 VanDerWaalsContact CZ2-N 3.35Å; W556-A590 PolarHBondContact NE1-O 3.44Å; W556-M592 HydrophobicContact CD2-CB 3.76Å; W556-M592 HydrophobicContact CD2-CG 4.35Å; W556-M592 HydrophobicContact CE3-CB 3.52Å; W556-M592 HydrophobicContact CE3-CG 3.88Å; W556-M592 HydrophobicContact CH2-CB 3.66Å; W556-M592 HydrophobicContact CZ2-CB 3.89Å; W556-M592 HydrophobicContact CZ3-CB 3.48Å; W556-M592 VanDerWaalsContact CZ3-CB 3.48Å; W556-M592 HydrophobicContact CZ3-CG 4.09Å; W556-A626 WeakPolarHBondContact CZ3-O 3.34Å; W556-D630 WeakPolarHBondContact CH2-OD2 3.09Å
557	V	97.1	Very high	95	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-56.7	-51.6	173.3	175.5	0	0	0	0	111.5	K553 I554 Y559 E560 H561 T564 L569 F583 M586 L627	K553-V557 PolarHBondContact O-N 3.08Å; I554-V557 WeakPolarHBondContact O-CB 3.46Å; I554-V557 PolarHBondContact O-N 2.99Å; I554-V557 VanDerWaalsContact O-N 3.13Å; V557-Y559 VanDerWaalsContact C-N 3.27Å; V557-Y559 PolarHBondContact O-N 3.44Å; V557-E560 PolarHBondContact O-N 3.42Å; V557-H561 CarbonylContact O-C 3.56Å; V557-H561 WeakPolarHBondContact O-CA 3.26Å; V557-H561 PolarHBondContact O-N 2.91Å; V557-T564 HydrophobicContact CG1-CG2 3.92Å; V557-L569 HydrophobicContact CG1-CD1 3.98Å; V557-L569 HydrophobicContact CG1-CD2 4.46Å; V557-F583 HydrophobicContact CG2-CE1 4.32Å; V557-M586 HydrophobicContact CB-CE 4.36Å; V557-M586 HydrophobicContact CG2-CE 3.99Å; V557-M586 HydrophobicContact CG2-SD 4.07Å; V557-L627 HydrophobicContact CG2-CD2 3.3Å
558	M	96.6	Very high	94.9	Very high	10 Å²	10	32.9 Å²	32.9	5%	0.049	16%	0.161	C	C	.	.	H	α-helix	trans	-69.2	-24.5	-177.8	-66.9	-168.3	-179.6	0	0	113.3	L522 V525 R526 A529 I554 M555 P562	L522-M558 HydrophobicContact CD1-CE 3.58Å; V525-M558 HydrophobicContact CG1-CE 4.07Å; V525-M558 HydrophobicContact CG1-SD 3.86Å; R526-M558 HydrophobicContact CG-CE 4.39Å; R526-M558 HydrophobicContact CG-SD 3.94Å; A529-M558 HydrophobicContact CB-CB 3.58Å; A529-M558 HydrophobicContact CB-SD 4.47Å; I554-M558 HydrophobicContact CG2-CE 4.15Å; I554-M558 PolarHBondContact O-N 3.19Å; M555-M558 PolarHBondContact O-N 3.47Å; M558-P562 VanDerWaalsContact O-CA 3.24Å; M558-P562 WeakPolarHBondContact O-CA 2.96Å; M558-P562 WeakPolarHBondContact O-CB 3.46Å
559	Y	98	Very high	94.6	Very high	14 Å²	14	32.7 Å²	32.7	6%	0.055	16%	0.159	C	C	.	.	H	α-helix	trans	-74.2	-45.5	173.2	169.9	-121.7	0	0	0	111.7	A532 K536 P537 I540 M555 W556 V557 K589 A590	A532-Y559 HydrophobicContact CB-CD2 3.87Å; A532-Y559 HydrophobicContact CB-CG 3.94Å; A532-Y559 WeakPolarHBondContact O-CE2 3.25Å; K536-Y559 WeakPolarHBondContact CA-OH 2.99Å; P537-Y559 HydrophobicContact CG-CE1 4.03Å; P537-Y559 WeakPolarHBondContact O-CE1 3.45Å; P537-Y559 PolarHBondContact O-OH 3.19Å; I540-Y559 HydrophobicContact CD1-CD1 4.26Å; M555-Y559 WeakPolarHBondContact O-CB 3.47Å; M555-Y559 PolarHBondContact O-N 2.92Å; W556-Y559 PolarHBondContact O-N 2.91Å; V557-Y559 VanDerWaalsContact C-N 3.27Å; V557-Y559 PolarHBondContact O-N 3.44Å; Y559-K589 HydrophobicContact CD1-CB 4.28Å; Y559-K589 HydrophobicContact CE1-CB 3.56Å; Y559-K589 HydrophobicContact CE1-CD 4.19Å; Y559-K589 HydrophobicContact CE2-CD 4.34Å; Y559-K589 PolarHBondContact O-NZ 3.5Å; Y559-A590 HydrophobicContact CD1-CB 4.29Å; Y559-A590 HydrophobicContact CE1-CB 3.84Å
560	E	97.6	Very high	94.2	Very high	9 Å²	9	33 Å²	33	4%	0.042	16%	0.162	C	C	.	.	H	α-helix	trans	-72.5	-42.3	178.3	-62.6	-138.7	-155.6	0	0	111.6	W556 V557 M586 G587 V588 K589 A590	W556-E560 PolarHBondContact NE1-OE1 3.34Å; W556-E560 WeakPolarHBondContact O-CG 3.15Å; W556-E560 PolarHBondContact O-N 2.83Å; V557-E560 PolarHBondContact O-N 3.42Å; E560-M586 HydrophobicContact CB-CE 3.87Å; E560-M586 HydrophobicContact CB-SD 4.43Å; E560-M586 HydrophobicContact CG-CE 3.79Å; E560-G587 WeakPolarHBondContact OE1-CA 3.24Å; E560-G587 PolarHBondContact OE1-N 3.38Å; E560-V588 PolarHBondContact OE1-N 2.97Å; E560-V588 WeakPolarHBondContact OE2-CA 3.5Å; E560-V588 WeakPolarHBondContact OE2-CB 3.3Å; E560-V588 PolarHBondContact OE2-N 3.08Å; E560-K589 VanDerWaalsContact CD-N 3.35Å; E560-K589 HydrophobicContact CG-CB 4.04Å; E560-K589 HydrophobicContact CG-CG 4.29Å; E560-K589 VanDerWaalsContact O-CE 3.27Å; E560-K589 WeakPolarHBondContact O-CE 3.29Å; E560-K589 PolarHBondContact O-NZ 2.93Å; E560-K589 PolarHBondContact OE1-N 2.97Å; E560-K589 PolarHBondContact OE2-N 2.69Å; E560-A590 PolarHBondContact OE1-N 3.26Å; E560-A590 VanDerWaalsContact OE1-O 3.12Å
561	H	96.9	Very high	93.9	Very high	43 Å²	43	36 Å²	36	20%	0.199	18%	0.178	C	C	.	.			trans	-133.9	73.9	-171.2	-66.7	-77.1	0	0	0	111.6	V557 E563 T564 P584	V557-H561 CarbonylContact O-C 3.56Å; V557-H561 WeakPolarHBondContact O-CA 3.26Å; V557-H561 PolarHBondContact O-N 2.91Å; H561-E563 VanDerWaalsContact CA-OE2 3.29Å; H561-E563 WeakPolarHBondContact CA-OE2 3.14Å; H561-E563 IonicContact CG-OE1 2.86Å; H561-E563 IonicContact ND1-OE1 2.74Å; H561-E563 PolarHBondContact ND1-OE1 3.25Å; H561-E563 PolarHBondContact O-N 2.94Å; H561-T564 HydrophobicContact CB-CG2 3.75Å; H561-T564 WeakPolarHBondContact O-CB 3.15Å; H561-T564 WeakPolarHBondContact O-CG2 3.45Å; H561-T564 PolarHBondContact O-N 2.72Å; H561-T564 PolarHBondContact O-OG1 3.3Å; H561-P584 HydrophobicContact CB-CG 4.02Å; H561-P584 WeakPolarHBondContact CD2-CG 3.49Å
562	P	94.4	Very high	93.6	Very high	80 Å²	80	40.4 Å²	40.4	52%	0.519	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-16.3	-178.8	27.2	-36	0	0	0	114.3	M558 T564	M558-P562 VanDerWaalsContact O-CA 3.24Å; M558-P562 WeakPolarHBondContact O-CA 2.96Å; M558-P562 WeakPolarHBondContact O-CB 3.46Å; P562-T564 PolarHBondContact O-N 3.16Å
563	E	93.6	Very high	93.5	Very high	120 Å²	120	41.9 Å²	41.9	56%	0.561	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-8.6	173.9	68.9	-81.8	-169.6	0	0	113.9	H561	H561-E563 VanDerWaalsContact CA-OE2 3.29Å; H561-E563 WeakPolarHBondContact CA-OE2 3.14Å; H561-E563 IonicContact CG-OE1 2.86Å; H561-E563 IonicContact ND1-OE1 2.74Å; H561-E563 PolarHBondContact ND1-OE1 3.25Å; H561-E563 PolarHBondContact O-N 2.94Å
564	T	91.3	Very high	93.4	Very high	7 Å²	7	50.9 Å²	50.9	4%	0.043	25%	0.245	C	C	.	.			trans	-70.2	132.6	-176.5	52.6	0	0	0	0	112.6	V557 H561 P562 L569	V557-T564 HydrophobicContact CG1-CG2 3.92Å; H561-T564 HydrophobicContact CB-CG2 3.75Å; H561-T564 WeakPolarHBondContact O-CB 3.15Å; H561-T564 WeakPolarHBondContact O-CG2 3.45Å; H561-T564 PolarHBondContact O-N 2.72Å; H561-T564 PolarHBondContact O-OG1 3.3Å; P562-T564 PolarHBondContact O-N 3.16Å; T564-L569 HydrophobicContact CG2-CD2 4.42Å
565	H	90.5	Very high	93.4	Very high	120 Å²	120	51.9 Å²	51.9	56%	0.556	25%	0.251	S	S	*	.			trans	-95.6	122.9	172.9	-64.3	-72.3	0	0	0	110	E567 E568 L569	H565-E567 VanDerWaalsContact C-N 3.27Å; H565-E567 PolarHBondContact O-N 3.42Å; H565-E568 HydrophobicContact CB-CG 4.08Å; H565-E568 PolarHBondContact O-N 3.07Å; H565-E568 VanDerWaalsContact O-N 3.09Å; H565-L569 PolarHBondContact O-N 3.08Å; H565-L569 VanDerWaalsContact O-N 3.14Å
566	F	87.3	Confident	93.2	Very high	8 Å²	8	52.7 Å²	52.7	4%	0.035	26%	0.255	C	S	.	.	H	α-helix	trans	-59	-37.6	-176.1	-178.6	-99.6	0	0	0	112.9	L522 E568 L569 A570 V611 D613 Y620 L622	L522-F566 HydrophobicContact CD1-CB 3.95Å; L522-F566 HydrophobicContact CD1-CD1 4.24Å; L522-F566 HydrophobicContact CD1-CD2 3.5Å; L522-F566 HydrophobicContact CD1-CE2 4.01Å; L522-F566 HydrophobicContact CD1-CG 3.62Å; L522-F566 HydrophobicContact CD2-CB 3.8Å; L522-F566 HydrophobicContact CD2-CD1 3.79Å; L522-F566 HydrophobicContact CD2-CD2 4.49Å; L522-F566 HydrophobicContact CD2-CE1 4.5Å; L522-F566 HydrophobicContact CD2-CG 3.78Å; L522-F566 HydrophobicContact CG-CG 4.34Å; F566-E568 VanDerWaalsContact C-N 3.26Å; F566-E568 PolarHBondContact O-N 3.32Å; F566-L569 PolarHBondContact O-N 2.98Å; F566-A570 HydrophobicContact CD1-CB 4.43Å; F566-A570 HydrophobicContact CE1-CB 4.14Å; F566-A570 HydrophobicContact CZ-CB 4.32Å; F566-A570 WeakPolarHBondContact O-CB 3.45Å; F566-A570 PolarHBondContact O-N 3.4Å; F566-V611 HydrophobicContact CE2-CB 3.97Å; F566-V611 HydrophobicContact CE2-CG1 4.03Å; F566-V611 HydrophobicContact CZ-CB 3.9Å; F566-V611 HydrophobicContact CZ-CG1 3.96Å; F566-D613 HydrophobicContact CE1-CB 4.49Å; F566-Y620 AromaticContact CE1-CD2 3.7Å; F566-Y620 HydrophobicContact CE1-CD2 3.7Å; F566-Y620 HydrophobicContact CE1-CE2 4.47Å; F566-Y620 HydrophobicContact CE1-CG 4.29Å; F566-Y620 HydrophobicContact CZ-CD2 4.3Å; F566-L622 HydrophobicContact CE2-CD2 4.01Å; F566-L622 HydrophobicContact CZ-CD2 4.43Å
567	E	86	Confident	93.1	Very high	169 Å²	169	59.4 Å²	59.4	79%	0.79	28%	0.28	S	S	*	.	H	α-helix	trans	-57.1	-38.5	176.8	-63.2	178.9	-159.8	0	0	112.4	H565 L571	H565-E567 VanDerWaalsContact C-N 3.27Å; H565-E567 PolarHBondContact O-N 3.42Å; E567-L571 PolarHBondContact O-N 3.47Å
568	E	90.8	Very high	93	Very high	90 Å²	90	66.3 Å²	66.3	42%	0.421	31%	0.31	S	S	.	.	H	α-helix	trans	-75.8	-39.1	177.9	-57.9	179	174.7	0	0	111.6	H565 F566 A570 L571 Y581	H565-E568 HydrophobicContact CB-CG 4.08Å; H565-E568 PolarHBondContact O-N 3.07Å; H565-E568 VanDerWaalsContact O-N 3.09Å; F566-E568 VanDerWaalsContact C-N 3.26Å; F566-E568 PolarHBondContact O-N 3.32Å; E568-A570 VanDerWaalsContact C-N 3.29Å; E568-A570 PolarHBondContact O-N 3Å; E568-L571 WeakPolarHBondContact O-CB 3.39Å; E568-L571 PolarHBondContact O-N 3.38Å; E568-Y581 HydrophobicContact CB-CD2 3.69Å; E568-Y581 HydrophobicContact CB-CE2 4.09Å; E568-Y581 HydrophobicContact CB-CG 4.11Å; E568-Y581 WeakPolarHBondContact OE2-CD2 3.4Å; E568-Y581 WeakPolarHBondContact OE2-CE2 3.38Å
569	L	89.5	Confident	92.8	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-63.2	-36.7	176.5	-67.8	174.7	0	0	0	112.2	V557 T564 H565 F566 R579 Y581 F583	V557-L569 HydrophobicContact CG1-CD1 3.98Å; V557-L569 HydrophobicContact CG1-CD2 4.46Å; T564-L569 HydrophobicContact CG2-CD2 4.42Å; H565-L569 PolarHBondContact O-N 3.08Å; H565-L569 VanDerWaalsContact O-N 3.14Å; F566-L569 PolarHBondContact O-N 2.98Å; L569-R579 PolarHBondContact O-NH2 3.32Å; L569-R579 VanDerWaalsContact O-NH2 3.08Å; L569-Y581 HydrophobicContact CD2-CD1 3.98Å; L569-Y581 HydrophobicContact CD2-CE1 3.41Å; L569-Y581 VanDerWaalsContact CD2-CE1 3.41Å; L569-Y581 HydrophobicContact CG-CE1 4.4Å; L569-F583 HydrophobicContact CB-CE2 4.15Å; L569-F583 HydrophobicContact CB-CZ 3.92Å; L569-F583 HydrophobicContact CD2-CD1 4.39Å; L569-F583 HydrophobicContact CD2-CD2 3.94Å; L569-F583 HydrophobicContact CD2-CE1 3.88Å; L569-F583 HydrophobicContact CD2-CE2 3.39Å; L569-F583 HydrophobicContact CD2-CG 4.43Å; L569-F583 HydrophobicContact CD2-CZ 3.38Å; L569-F583 HydrophobicContact CG-CE2 4.38Å; L569-F583 HydrophobicContact CG-CZ 4.19Å
570	A	87.7	Confident	92.6	Very high	7 Å²	7	74 Å²	74	6%	0.058	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-0.2	-177.6	0	0	0	0	0	114.3	F566 E568 R572 Y620	F566-A570 HydrophobicContact CD1-CB 4.43Å; F566-A570 HydrophobicContact CE1-CB 4.14Å; F566-A570 HydrophobicContact CZ-CB 4.32Å; F566-A570 WeakPolarHBondContact O-CB 3.45Å; F566-A570 PolarHBondContact O-N 3.4Å; E568-A570 VanDerWaalsContact C-N 3.29Å; E568-A570 PolarHBondContact O-N 3Å; A570-R572 PolarHBondContact O-N 2.98Å; A570-Y620 HydrophobicContact CB-CD1 4.06Å; A570-Y620 HydrophobicContact CB-CG 3.84Å
571	L	90.2	Very high	92.4	Very high	75 Å²	75	76.1 Å²	76.1	39%	0.393	36%	0.357	S	S	.	.			trans	-63.3	129	-178.9	-168	71.1	0	0	0	110.9	E567 E568 I580	E567-L571 PolarHBondContact O-N 3.47Å; E568-L571 WeakPolarHBondContact O-CB 3.39Å; E568-L571 PolarHBondContact O-N 3.38Å; L571-I580 HydrophobicContact CD2-CB 4.36Å; L571-I580 HydrophobicContact CD2-CD1 4.21Å
572	R	91.7	Very high	92.3	Very high	92 Å²	92	82.5 Å²	82.5	35%	0.347	38%	0.384	S	S	.	.			trans	-62.3	147.2	174.6	-75.4	79.4	68.4	-156.6	5.6	110.5	A570 D838	A570-R572 PolarHBondContact O-N 2.98Å; R572-D838 VanDerWaalsContact CD-O 3.31Å; R572-D838 WeakPolarHBondContact CD-O 3.48Å; R572-D838 VanDerWaalsContact CG-O 3.25Å; R572-D838 WeakPolarHBondContact CG-O 3.46Å; R572-D838 IonicContact CZ-OD1 3.7Å; R572-D838 IonicContact CZ-OD2 2.81Å; R572-D838 VanDerWaalsContact CZ-OD2 3.24Å; R572-D838 PolarHBondContact NE-O 2.82Å; R572-D838 IonicContact NE-OD1 3.47Å; R572-D838 PolarHBondContact NE-OD1 2.91Å; R572-D838 VanDerWaalsContact NE-OD1 3.08Å; R572-D838 IonicContact NE-OD2 3.55Å; R572-D838 PolarHBondContact NE-OD2 3.28Å; R572-D838 IonicContact NH2-OD1 3.62Å; R572-D838 IonicContact NH2-OD2 3.6Å; R572-D838 PolarHBondContact NH2-OD2 3.44Å
573	F	94.6	Very high	92.3	Very high	31 Å²	31	79.1 Å²	79.1	14%	0.136	36%	0.361	C	S	.	.			trans	-137.5	154.3	-177.6	56.7	-100.8	0	0	0	111.8	I576 R579 A623 F718 Q840	F573-I576 HydrophobicContact CD2-CB 4.3Å; F573-I576 HydrophobicContact CE2-CB 3.6Å; F573-I576 HydrophobicContact CE2-CG1 4.24Å; F573-I576 HydrophobicContact CZ-CB 3.98Å; F573-I576 HydrophobicContact CZ-CD1 4.3Å; F573-I576 HydrophobicContact CZ-CG1 4.1Å; F573-R579 HydrophobicContact CB-CG 4.2Å; F573-R579 HydrophobicContact CD1-CG 4.09Å; F573-R579 HydrophobicContact CG-CG 4.03Å; F573-A623 HydrophobicContact CE1-CB 4.47Å; F573-A623 HydrophobicContact CZ-CB 4.19Å; F573-F718 HydrophobicContact CE2-CE2 4.14Å; F573-F718 HydrophobicContact CZ-CE2 4.13Å; F573-F718 HydrophobicContact CZ-CZ 4.47Å; F573-Q840 VanDerWaalsContact CD1-OE1 3.3Å; F573-Q840 HydrophobicContact CE1-CG 3.94Å; F573-Q840 VanDerWaalsContact CE2-CD 3.49Å; F573-Q840 HydrophobicContact CE2-CG 4.19Å; F573-Q840 VanDerWaalsContact CZ-CD 3.48Å; F573-Q840 HydrophobicContact CZ-CG 3.76Å; F573-Q840 PolarHBondContact O-NE2 2.79Å; F573-Q840 PolarHBondContact O-OE1 3.38Å
574	M	95.7	Very high	92.3	Very high	189 Å²	189	74.7 Å²	74.7	93%	0.931	34%	0.343	S	S	*	.	S	Bend	trans	-85.3	-29.6	175.8	-169.1	179.4	-178.2	0	0	112.7
575	D	95.5	Very high	92.4	Very high	22 Å²	22	82.5 Å²	82.5	12%	0.118	38%	0.376	C	S	.	.			trans	-147.1	126.4	179.9	179.9	-50.1	0	0	0	109	N450 R577 K578 R579	N450-D575 PolarHBondContact ND2-OD2 3.36Å; D575-R577 PolarHBondContact O-N 2.96Å; D575-R577 WeakPolarHBondContact OD1-CA 3.48Å; D575-R577 WeakPolarHBondContact OD1-CB 3.06Å; D575-R577 PolarHBondContact OD1-N 2.9Å; D575-K578 HydrophobicContact CB-CB 4.13Å; D575-K578 HydrophobicContact CB-CD 4.24Å; D575-K578 HydrophobicContact CB-CG 4.1Å; D575-K578 CarbonylContact O-C 3.49Å; D575-K578 PolarHBondContact O-N 2.79Å; D575-K578 PolarHBondContact OD1-N 2.89Å; D575-K578 IonicContact OD2-NZ 2.67Å; D575-K578 PolarHBondContact OD2-NZ 3.15Å; D575-R579 PolarHBondContact O-N 3.09Å
576	I	94.4	Very high	92.7	Very high	16 Å²	16	77.8 Å²	77.8	8%	0.082	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19	-175.4	-173.7	163.9	0	0	0	113.6	W453 F573 R579 Y625 F718	W453-I576 HydrophobicContact CH2-CG2 3.3Å; W453-I576 HydrophobicContact CZ2-CG2 3.17Å; W453-I576 HydrophobicContact CZ3-CG2 4.43Å; F573-I576 HydrophobicContact CD2-CB 4.3Å; F573-I576 HydrophobicContact CE2-CB 3.6Å; F573-I576 HydrophobicContact CE2-CG1 4.24Å; F573-I576 HydrophobicContact CZ-CB 3.98Å; F573-I576 HydrophobicContact CZ-CD1 4.3Å; F573-I576 HydrophobicContact CZ-CG1 4.1Å; I576-R579 WeakPolarHBondContact O-CD 3.07Å; I576-R579 VanDerWaalsContact O-CG 3.28Å; I576-R579 WeakPolarHBondContact O-CG 2.92Å; I576-Y625 HydrophobicContact CD1-CD2 3.87Å; I576-Y625 HydrophobicContact CD1-CE2 3.72Å; I576-F718 HydrophobicContact CB-CZ 4.27Å; I576-F718 HydrophobicContact CD1-CE1 4.35Å; I576-F718 HydrophobicContact CD1-CZ 3.66Å; I576-F718 HydrophobicContact CG2-CZ 4.44Å
577	R	94.8	Very high	93	Very high	145 Å²	145	78.3 Å²	78.3	55%	0.547	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-18.9	174.9	-63.2	-178.2	58.8	81	0.8	113	W453 D575	W453-R577 HydrophobicContact CE3-CG 4.38Å; W453-R577 HydrophobicContact CH2-CG 4.04Å; W453-R577 HydrophobicContact CZ3-CG 3.69Å; D575-R577 PolarHBondContact O-N 2.96Å; D575-R577 WeakPolarHBondContact OD1-CA 3.48Å; D575-R577 WeakPolarHBondContact OD1-CB 3.06Å; D575-R577 PolarHBondContact OD1-N 2.9Å
578	K	95	Very high	93.3	Very high	146 Å²	146	75.3 Å²	75.3	64%	0.635	36%	0.355	S	S	*	.	S	Bend	trans	-107.6	27.7	-178	-50.6	-176.2	-174.5	100.1	0	112	D575	D575-K578 HydrophobicContact CB-CB 4.13Å; D575-K578 HydrophobicContact CB-CD 4.24Å; D575-K578 HydrophobicContact CB-CG 4.1Å; D575-K578 CarbonylContact O-C 3.49Å; D575-K578 PolarHBondContact O-N 2.79Å; D575-K578 PolarHBondContact OD1-N 2.89Å; D575-K578 IonicContact OD2-NZ 2.67Å; D575-K578 PolarHBondContact OD2-NZ 3.15Å
579	R	92.5	Very high	93.6	Very high	27 Å²	27	75.4 Å²	75.4	10%	0.102	35%	0.354	C	S	.	.			trans	-60.4	141.1	-179	-61.5	-178.3	75.3	-164.5	1.9	110.9	L569 F573 D575 I576 Y581 F583 A623 D624	L569-R579 PolarHBondContact O-NH2 3.32Å; L569-R579 VanDerWaalsContact O-NH2 3.08Å; F573-R579 HydrophobicContact CB-CG 4.2Å; F573-R579 HydrophobicContact CD1-CG 4.09Å; F573-R579 HydrophobicContact CG-CG 4.03Å; D575-R579 PolarHBondContact O-N 3.09Å; I576-R579 WeakPolarHBondContact O-CD 3.07Å; I576-R579 VanDerWaalsContact O-CG 3.28Å; I576-R579 WeakPolarHBondContact O-CG 2.92Å; R579-Y581 VanDerWaalsContact C-N 3.35Å; R579-Y581 VanDerWaalsContact CB-O 3.3Å; R579-Y581 WeakPolarHBondContact CB-O 3.4Å; R579-F583 VanDerWaalsContact NH2-CE2 3.34Å; R579-A623 PolarHBondContact NH1-O 2.82Å; R579-D624 IonicContact CZ-OD2 2.69Å; R579-D624 VanDerWaalsContact NH1-CB 3.32Å; R579-D624 IonicContact NH1-OD2 3.88Å; R579-D624 PolarHBondContact NH1-OD2 3.07Å
580	I	95	Very high	93.9	Very high	157 Å²	157	75.5 Å²	75.5	81%	0.805	36%	0.355	S	S	*	.	S	Bend	trans	-63.3	-45.9	171.5	-65	174	0	0	0	109.5	L571	L571-I580 HydrophobicContact CD2-CB 4.36Å; L571-I580 HydrophobicContact CD2-CD1 4.21Å
581	Y	93.2	Very high	94.3	Very high	54 Å²	54	78.5 Å²	78.5	21%	0.212	37%	0.366	C	S	.	.	S	Bend	trans	-100.3	112.3	172	-168.9	-84.8	0	0	0	110.4	E568 L569 R579 F583	E568-Y581 HydrophobicContact CB-CD2 3.69Å; E568-Y581 HydrophobicContact CB-CE2 4.09Å; E568-Y581 HydrophobicContact CB-CG 4.11Å; E568-Y581 WeakPolarHBondContact OE2-CD2 3.4Å; E568-Y581 WeakPolarHBondContact OE2-CE2 3.38Å; L569-Y581 HydrophobicContact CD2-CD1 3.98Å; L569-Y581 HydrophobicContact CD2-CE1 3.41Å; L569-Y581 VanDerWaalsContact CD2-CE1 3.41Å; L569-Y581 HydrophobicContact CG-CE1 4.4Å; R579-Y581 VanDerWaalsContact C-N 3.35Å; R579-Y581 VanDerWaalsContact CB-O 3.3Å; R579-Y581 WeakPolarHBondContact CB-O 3.4Å; Y581-F583 HydrophobicContact CD1-CD2 4.04Å; Y581-F583 HydrophobicContact CD1-CE2 4.25Å; Y581-F583 HydrophobicContact CE1-CD2 4.26Å
582	K	94.6	Very high	94.7	Very high	177 Å²	177	74.9 Å²	74.9	77%	0.77	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-87.1	125.9	175.2	-177.8	-176.8	177.6	62.9	0	109.2
583	F	93.9	Very high	95	Very high	10 Å²	10	70.8 Å²	70.8	4%	0.044	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-61.7	143.4	176.9	-87.9	-133	0	0	0	111.3	V557 L569 R579 Y581 L622 D624 A626 L627	V557-F583 HydrophobicContact CG2-CE1 4.32Å; L569-F583 HydrophobicContact CB-CE2 4.15Å; L569-F583 HydrophobicContact CB-CZ 3.92Å; L569-F583 HydrophobicContact CD2-CD1 4.39Å; L569-F583 HydrophobicContact CD2-CD2 3.94Å; L569-F583 HydrophobicContact CD2-CE1 3.88Å; L569-F583 HydrophobicContact CD2-CE2 3.39Å; L569-F583 HydrophobicContact CD2-CG 4.43Å; L569-F583 HydrophobicContact CD2-CZ 3.38Å; L569-F583 HydrophobicContact CG-CE2 4.38Å; L569-F583 HydrophobicContact CG-CZ 4.19Å; R579-F583 VanDerWaalsContact NH2-CE2 3.34Å; Y581-F583 HydrophobicContact CD1-CD2 4.04Å; Y581-F583 HydrophobicContact CD1-CE2 4.25Å; Y581-F583 HydrophobicContact CE1-CD2 4.26Å; F583-L622 HydrophobicContact CE1-CD1 4.06Å; F583-L622 HydrophobicContact CZ-CD1 3.61Å; F583-D624 HydrophobicContact CB-CB 4.09Å; F583-D624 HydrophobicContact CD1-CB 3.72Å; F583-D624 HydrophobicContact CD2-CB 3.99Å; F583-D624 HydrophobicContact CE1-CB 4.14Å; F583-D624 HydrophobicContact CE2-CB 4.38Å; F583-D624 HydrophobicContact CG-CB 3.63Å; F583-D624 HydrophobicContact CZ-CB 4.43Å; F583-A626 HydrophobicContact CB-CB 3.82Å; F583-A626 HydrophobicContact CD1-CB 4.35Å; F583-L627 HydrophobicContact CD1-CD1 4.43Å; F583-L627 HydrophobicContact CD1-CD2 4.16Å; F583-L627 HydrophobicContact CD1-CG 4.01Å; F583-L627 HydrophobicContact CE1-CD1 3.66Å; F583-L627 HydrophobicContact CE1-CD2 3.82Å; F583-L627 HydrophobicContact CE1-CG 3.68Å; F583-L627 HydrophobicContact CZ-CD1 4.31Å
584	P	94	Very high	95.1	Very high	27 Å²	27	69.3 Å²	69.3	18%	0.175	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-66.1	166.2	175.1	31	-35.6	0	0	0	110.6	H561 M586	H561-P584 HydrophobicContact CB-CG 4.02Å; H561-P584 WeakPolarHBondContact CD2-CG 3.49Å; P584-M586 HydrophobicContact CG-SD 4.14Å; P584-M586 PolarHBondContact O-N 3.38Å
585	K	94.5	Very high	95.3	Very high	170 Å²	170	60.3 Å²	60.3	74%	0.739	28%	0.282	S	S	*	.			trans	-73	111.7	175.9	-177.6	-175.1	176.2	-173.6	0	109.2
586	M	95.4	Very high	95.4	Very high	22 Å²	22	59.2 Å²	59.2	11%	0.108	28%	0.276	C	S	.	.			trans	-84.8	163.6	176.8	-59.3	-53.6	-60.5	0	0	112.4	W556 V557 E560 P584 A626	W556-M586 HydrophobicContact CB-CE 4.38Å; W556-M586 HydrophobicContact CD2-CE 3.58Å; W556-M586 HydrophobicContact CE3-CE 4.14Å; W556-M586 HydrophobicContact CG-CE 3.66Å; W556-M586 HydrophobicContact CH2-CB 3.77Å; W556-M586 HydrophobicContact CZ2-CB 3.76Å; W556-M586 HydrophobicContact CZ2-CE 4.49Å; W556-M586 HydrophobicContact CZ3-CB 4.15Å; W556-M586 WeakPolarHBondContact O-CE 3.3Å; V557-M586 HydrophobicContact CB-CE 4.36Å; V557-M586 HydrophobicContact CG2-CE 3.99Å; V557-M586 HydrophobicContact CG2-SD 4.07Å; E560-M586 HydrophobicContact CB-CE 3.87Å; E560-M586 HydrophobicContact CB-SD 4.43Å; E560-M586 HydrophobicContact CG-CE 3.79Å; P584-M586 HydrophobicContact CG-SD 4.14Å; P584-M586 PolarHBondContact O-N 3.38Å; M586-A626 WeakPolarHBondContact CB-O 3.34Å; M586-A626 HydrophobicContact CG-CB 3.97Å; M586-A626 VanDerWaalsContact CG-O 3.3Å; M586-A626 WeakPolarHBondContact CG-O 3.41Å
587	G	93.4	Very high	95.5	Very high	18 Å²	18	59 Å²	59	19%	0.186	28%	0.275	C	S	.	.	S	Bend	trans	88.1	21.8	174.3	0	0	0	0	0	114.7	W556 E560 A590	W556-G587 VanDerWaalsContact CZ2-N 3.35Å; E560-G587 WeakPolarHBondContact OE1-CA 3.24Å; E560-G587 PolarHBondContact OE1-N 3.38Å; G587-A590 WeakPolarHBondContact CA-O 3.36Å
588	V	93.1	Very high	95.4	Very high	106 Å²	106	53.1 Å²	53.1	64%	0.642	26%	0.256	S	S	*	.	S	Bend	trans	-94.9	-47.9	178.5	-179	0	0	0	0	110.6	E560	E560-V588 PolarHBondContact OE1-N 2.97Å; E560-V588 WeakPolarHBondContact OE2-CA 3.5Å; E560-V588 WeakPolarHBondContact OE2-CB 3.3Å; E560-V588 PolarHBondContact OE2-N 3.08Å
589	K	96.4	Very high	95.3	Very high	92 Å²	92	46.4 Å²	46.4	40%	0.4	23%	0.227	S	C	.	.	S	Bend	trans	-83.8	-42.7	177	-59.5	-170.6	-165.4	164	0	112.3	Y559 E560	Y559-K589 HydrophobicContact CD1-CB 4.28Å; Y559-K589 HydrophobicContact CE1-CB 3.56Å; Y559-K589 HydrophobicContact CE1-CD 4.19Å; Y559-K589 HydrophobicContact CE2-CD 4.34Å; Y559-K589 PolarHBondContact O-NZ 3.5Å; E560-K589 VanDerWaalsContact CD-N 3.35Å; E560-K589 HydrophobicContact CG-CB 4.04Å; E560-K589 HydrophobicContact CG-CG 4.29Å; E560-K589 VanDerWaalsContact O-CE 3.27Å; E560-K589 WeakPolarHBondContact O-CE 3.29Å; E560-K589 PolarHBondContact O-NZ 2.93Å; E560-K589 PolarHBondContact OE1-N 2.97Å; E560-K589 PolarHBondContact OE2-N 2.69Å
590	A	97	Very high	95.2	Very high	3 Å²	3	45.1 Å²	45.1	3%	0.025	22%	0.222	C	C	.	.			trans	-142.7	150	-179	0	0	0	0	0	112.1	D538 I540 W556 Y559 E560 G587	D538-A590 VanDerWaalsContact O-CA 3.24Å; D538-A590 WeakPolarHBondContact O-CA 3.44Å; I540-A590 HydrophobicContact CD1-CB 4.33Å; I540-A590 HydrophobicContact CG1-CB 4.09Å; W556-A590 PolarHBondContact NE1-O 3.44Å; Y559-A590 HydrophobicContact CD1-CB 4.29Å; Y559-A590 HydrophobicContact CE1-CB 3.84Å; E560-A590 PolarHBondContact OE1-N 3.26Å; E560-A590 VanDerWaalsContact OE1-O 3.12Å; G587-A590 WeakPolarHBondContact CA-O 3.36Å
591	K	96.3	Very high	95	Very high	69 Å²	69	38.4 Å²	38.4	30%	0.3	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	150	166.4	-68.6	-65.9	178.8	-168.7	0	111.4	D538 V539 I540 D630	D538-K591 PolarHBondContact O-N 3.27Å; D538-K591 VanDerWaalsContact O-N 3.11Å; V539-K591 CarbonylContact C-O 3.54Å; V539-K591 WeakPolarHBondContact CA-O 3.21Å; V539-K591 HydrophobicContact CG2-CB 4.23Å; I540-K591 PolarHBondContact N-O 3.4Å; K591-D630 HydrophobicContact CD-CB 4.02Å; K591-D630 VanDerWaalsContact CD-OD1 3.3Å; K591-D630 WeakPolarHBondContact CD-OD1 3.45Å; K591-D630 WeakPolarHBondContact CD-OD2 3.27Å; K591-D630 IonicContact NZ-OD1 2.65Å; K591-D630 PolarHBondContact NZ-OD1 3.22Å
592	M	97.8	Very high	95.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	112	174.4	-174.5	62.8	-158.8	0	0	110.6	I540 A542 A552 K553 W556 P629 D630 M631	I540-M592 HydrophobicContact CB-SD 3.93Å; I540-M592 HydrophobicContact CG2-CE 4.4Å; I540-M592 HydrophobicContact CG2-SD 3.72Å; A542-M592 HydrophobicContact CB-CE 3.47Å; A542-M592 VanDerWaalsContact CB-CE 3.47Å; A552-M592 HydrophobicContact CB-CE 3.47Å; A552-M592 VanDerWaalsContact CB-CE 3.47Å; A552-M592 HydrophobicContact CB-SD 4.36Å; K553-M592 HydrophobicContact CG-CE 4.45Å; W556-M592 HydrophobicContact CD2-CB 3.76Å; W556-M592 HydrophobicContact CD2-CG 4.35Å; W556-M592 HydrophobicContact CE3-CB 3.52Å; W556-M592 HydrophobicContact CE3-CG 3.88Å; W556-M592 HydrophobicContact CH2-CB 3.66Å; W556-M592 HydrophobicContact CZ2-CB 3.89Å; W556-M592 HydrophobicContact CZ3-CB 3.48Å; W556-M592 VanDerWaalsContact CZ3-CB 3.48Å; W556-M592 HydrophobicContact CZ3-CG 4.09Å; M592-P629 HydrophobicContact CG-CB 4.37Å; M592-P629 CarbonylContact O-C 3.56Å; M592-D630 PolarHBondContact N-OD2 3.47Å; M592-D630 PolarHBondContact O-N 3.12Å; M592-M631 PolarHBondContact O-N 3.41Å
593	I	97.6	Very high	95.2	Very high	5 Å²	5	27.7 Å²	27.7	3%	0.026	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.5	175.8	-55.4	-174.8	0	0	0	108.6	V474 V539 I540 I541 A542 M631 I633	V474-I593 HydrophobicContact CG2-CD1 3.39Å; V539-I593 HydrophobicContact CG2-CD1 3.67Å; V539-I593 HydrophobicContact CG2-CG1 3.86Å; I540-I593 PolarHBondContact O-N 3.23Å; I541-I593 CarbonylContact C-O 3.59Å; I541-I593 VanDerWaalsContact CA-O 3.29Å; I541-I593 WeakPolarHBondContact CA-O 3.3Å; I541-I593 HydrophobicContact CG1-CB 4.26Å; A542-I593 PolarHBondContact N-O 2.87Å; I593-M631 CarbonylContact C-O 3.51Å; I593-M631 WeakPolarHBondContact CA-O 3.45Å; I593-M631 HydrophobicContact CD1-CE 4.25Å; I593-M631 HydrophobicContact CD1-SD 4.2Å; I593-M631 HydrophobicContact CG1-CB 4.15Å; I593-M631 HydrophobicContact CG2-CB 4.21Å; I593-M631 HydrophobicContact CG2-CG 4.28Å; I593-M631 HydrophobicContact CG2-SD 4.11Å; I593-I633 HydrophobicContact CG2-CD1 3.86Å; I593-I633 HydrophobicContact CG2-CG1 4.39Å
594	A	98.3	Very high	95.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124	178.8	0	0	0	0	0	110.9	M549 E604 P629 M631 A632 I633	M549-A594 HydrophobicContact SD-CB 3.88Å; A594-E604 HydrophobicContact CB-CB 3.8Å; A594-P629 HydrophobicContact CB-CB 3.94Å; A594-P629 HydrophobicContact CB-CG 3.81Å; A594-M631 PolarHBondContact N-O 3.21Å; A594-A632 CarbonylContact O-C 3.6Å; A594-A632 WeakPolarHBondContact O-CA 3.41Å; A594-I633 PolarHBondContact O-N 2.88Å
595	V	98	Very high	95.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	109.1	175.4	-175.4	0	0	0	0	108.2	L467 I499 I541 A542 L543 G544 I633 L638	L467-V595 HydrophobicContact CD1-CG1 3.9Å; L467-V595 HydrophobicContact CD1-CG2 4.01Å; I499-V595 HydrophobicContact CD1-CB 4.45Å; I499-V595 HydrophobicContact CD1-CG2 4.14Å; I541-V595 HydrophobicContact CG2-CG2 3.94Å; A542-V595 PolarHBondContact O-N 2.81Å; L543-V595 WeakPolarHBondContact CA-O 3.43Å; L543-V595 HydrophobicContact CD1-CB 4.01Å; L543-V595 HydrophobicContact CD1-CG1 3.75Å; G544-V595 PolarHBondContact N-O 3.49Å; V595-I633 WeakPolarHBondContact CA-O 3.39Å; V595-I633 HydrophobicContact CG1-CG2 4.49Å; V595-I633 HydrophobicContact CG2-CB 4.13Å; V595-I633 HydrophobicContact CG2-CD1 4.04Å; V595-L638 HydrophobicContact CG1-CD1 3.51Å
596	T	97.7	Very high	95.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	136.7	-175.2	-179.8	0	0	0	0	112.6	G544 T598 E604 I633 V634 H704	G544-T596 CarbonylContact O-C 3.16Å; G544-T596 VanDerWaalsContact O-CA 3.25Å; G544-T596 WeakPolarHBondContact O-CA 3.47Å; T596-T598 PolarHBondContact OG1-N 3.46Å; T596-T598 PolarHBondContact OG1-O 3.11Å; T596-E604 HydrophobicContact CG2-CB 4.49Å; T596-E604 HydrophobicContact CG2-CG 4.02Å; T596-I633 PolarHBondContact N-O 3.34Å; T596-I633 VanDerWaalsContact N-O 3.09Å; T596-V634 HydrophobicContact CG2-CB 4.2Å; T596-V634 HydrophobicContact CG2-CG1 4.02Å; T596-V634 HydrophobicContact CG2-CG2 3.96Å; T596-H704 PolarHBondContact O-NE2 2.9Å
597	T	96.3	Very high	95.7	Very high	10 Å²	10	16.9 Å²	16.9	6%	0.061	9%	0.093	C	C	.	.			trans	-121.2	8.3	171.6	71.6	0	0	0	0	112.1	L490 L543 G544 L638 V639 M642	L490-T597 HydrophobicContact CD1-CG2 4.49Å; L490-T597 HydrophobicContact CD2-CG2 4.23Å; L543-T597 HydrophobicContact CD1-CG2 3.52Å; L543-T597 HydrophobicContact CG-CG2 4.39Å; G544-T597 WeakPolarHBondContact CA-OG1 3.24Å; G544-T597 PolarHBondContact O-N 2.67Å; T597-L638 HydrophobicContact CG2-CB 3.85Å; T597-L638 HydrophobicContact CG2-CD1 3.98Å; T597-V639 WeakPolarHBondContact O-CG1 3.34Å; T597-M642 WeakPolarHBondContact O-CE 3.14Å
598	T	94.4	Very high	95.7	Very high	23 Å²	23	16.6 Å²	16.6	14%	0.141	9%	0.087	C	C	.	.			trans	-129.1	121.8	-179.7	-58.7	0	0	0	0	110.9	T596 G600 L646	T596-T598 PolarHBondContact OG1-N 3.46Å; T596-T598 PolarHBondContact OG1-O 3.11Å; T598-G600 VanDerWaalsContact C-N 3.29Å; T598-G600 PolarHBondContact O-N 3.08Å; T598-L646 HydrophobicContact CG2-CD1 3.9Å; T598-L646 HydrophobicContact CG2-CD2 4.47Å; T598-L646 HydrophobicContact CG2-CG 4.23Å
599	S	93.1	Very high	95.7	Very high	4 Å²	4	11.5 Å²	11.5	3%	0.028	6%	0.056	C	C	.	.	S	Bend	trans	-85.6	58	-175.7	-52.3	0	0	0	0	112.9	G650 G651 H704 A707	S599-G650 CarbonylContact O-C 3.6Å; S599-G650 WeakPolarHBondContact O-CA 3.41Å; S599-G651 PolarHBondContact O-N 3.31Å; S599-H704 WeakPolarHBondContact OG-CA 3.41Å; S599-H704 PolarHBondContact OG-ND1 2.82Å; S599-A707 WeakPolarHBondContact O-CB 3.22Å
600	G	88.6	Confident	95.5	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.045	C	C	.	.	S	Bend	trans	-157.3	-42.6	177.8	0	0	0	0	0	115.3	T598 G602 G650 H657	T598-G600 VanDerWaalsContact C-N 3.29Å; T598-G600 PolarHBondContact O-N 3.08Å; G600-G602 PolarHBondContact O-N 2.9Å; G600-G650 WeakPolarHBondContact CA-O 3.4Å; G600-H657 PolarHBondContact O-CE1 3.4Å; G600-H657 PolarHBondContact O-ND1 3.45Å
601	T	91.8	Very high	95.1	Very high	17 Å²	17	8.3 Å²	8.3	10%	0.104	4%	0.044	C	C	.	.			trans	-60.8	-42.8	-171.8	167.4	0	0	0	0	115.1	G546 M549 S603 H657 F714	G546-T601 WeakPolarHBondContact CA-OG1 3.24Å; G546-T601 PolarHBondContact N-OG1 3.33Å; M549-T601 HydrophobicContact CE-CG2 3.51Å; T601-S603 PolarHBondContact O-N 2.59Å; T601-S603 WeakPolarHBondContact OG1-CB 3.41Å; T601-S603 PolarHBondContact OG1-N 3.43Å; T601-S603 PolarHBondContact OG1-OG 2.78Å; T601-H657 PolarHBondContact O-CE1 3.19Å; T601-F714 WeakPolarHBondContact O-CZ 3.25Å
602	G	94.2	Very high	94.8	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	4%	0.035	C	C	.	.			trans	62.9	2.2	-171.8	0	0	0	0	0	115.2	G600 E604 V605 T606	G600-G602 PolarHBondContact O-N 2.9Å; G602-E604 VanDerWaalsContact CA-OE2 3.31Å; G602-E604 WeakPolarHBondContact CA-OE2 3.24Å; G602-E604 PolarHBondContact O-N 3Å; G602-V605 VanDerWaalsContact O-CG2 3.32Å; G602-V605 WeakPolarHBondContact O-CG2 3.44Å; G602-V605 PolarHBondContact O-N 3.22Å; G602-T606 WeakPolarHBondContact O-CG2 3.35Å; G602-T606 PolarHBondContact O-N 3.3Å
603	S	96.6	Very high	94.2	Very high	6 Å²	6	7.1 Å²	7.1	4%	0.042	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-19.7	-179	-73.7	0	0	0	0	113.2	D550 K553 T601 V605	D550-S603 WeakPolarHBondContact OD1-CB 3.39Å; D550-S603 PolarHBondContact OD1-OG 3.04Å; K553-S603 VanDerWaalsContact CE-O 3.22Å; K553-S603 WeakPolarHBondContact CE-O 3.43Å; K553-S603 PolarHBondContact NZ-O 3.45Å; T601-S603 PolarHBondContact O-N 2.59Å; T601-S603 WeakPolarHBondContact OG1-CB 3.41Å; T601-S603 PolarHBondContact OG1-N 3.43Å; T601-S603 PolarHBondContact OG1-OG 2.78Å; S603-V605 PolarHBondContact O-N 2.86Å
604	E	97.7	Very high	93.7	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.1	175.9	66.6	-85.1	-165.1	0	0	113.5	M549 A594 T596 G602 P629 A632 V634 T708	M549-E604 HydrophobicContact CE-CB 4.46Å; M549-E604 HydrophobicContact SD-CB 3.75Å; M549-E604 PolarHBondContact SD-N 2.99Å; A594-E604 HydrophobicContact CB-CB 3.8Å; T596-E604 HydrophobicContact CG2-CB 4.49Å; T596-E604 HydrophobicContact CG2-CG 4.02Å; G602-E604 VanDerWaalsContact CA-OE2 3.31Å; G602-E604 WeakPolarHBondContact CA-OE2 3.24Å; G602-E604 PolarHBondContact O-N 3Å; E604-P629 WeakPolarHBondContact O-CG 3.36Å; E604-A632 HydrophobicContact CB-CB 4.08Å; E604-A632 HydrophobicContact CG-CB 4.24Å; E604-A632 WeakPolarHBondContact O-CB 3.31Å; E604-V634 HydrophobicContact CG-CG2 4.3Å; E604-T708 HydrophobicContact CG-CG2 4.14Å; E604-T708 WeakPolarHBondContact OE1-CB 3.07Å; E604-T708 WeakPolarHBondContact OE1-CG2 3.49Å; E604-T708 PolarHBondContact OE1-OG1 3.34Å
605	V	98.1	Very high	93	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121	-5.9	-178.3	-69.4	0	0	0	0	114.4	P457 I460 G602 S603 A632 T708 G711 I712	P457-V605 HydrophobicContact CG-CB 4.29Å; P457-V605 HydrophobicContact CG-CG1 4.09Å; I460-V605 HydrophobicContact CD1-CG1 3.82Å; I460-V605 HydrophobicContact CG1-CG1 4.25Å; G602-V605 VanDerWaalsContact O-CG2 3.32Å; G602-V605 WeakPolarHBondContact O-CG2 3.44Å; G602-V605 PolarHBondContact O-N 3.22Å; S603-V605 PolarHBondContact O-N 2.86Å; V605-A632 HydrophobicContact CG1-CB 3.96Å; V605-T708 HydrophobicContact CG1-CG2 3.83Å; V605-T708 HydrophobicContact CG2-CG2 4.14Å; V605-G711 VanDerWaalsContact CG2-C 3.49Å; V605-I712 HydrophobicContact CG2-CG1 4.34Å
606	T	97.2	Very high	92.2	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-104.9	156	-170.9	74	0	0	0	0	113.1	K553 G602 F608 G711 F714 A715	K553-T606 PolarHBondContact NZ-O 3.18Å; G602-T606 WeakPolarHBondContact O-CG2 3.35Å; G602-T606 PolarHBondContact O-N 3.3Å; T606-F608 PolarHBondContact O-N 3.06Å; T606-G711 WeakPolarHBondContact CG2-O 3.37Å; T606-F714 HydrophobicContact CG2-CD1 4.35Å; T606-F714 HydrophobicContact CG2-CD2 3.96Å; T606-F714 HydrophobicContact CG2-CE1 3.8Å; T606-F714 HydrophobicContact CG2-CE2 3.35Å; T606-F714 HydrophobicContact CG2-CG 4.42Å; T606-F714 HydrophobicContact CG2-CZ 3.26Å; T606-A715 HydrophobicContact CG2-CB 3.78Å
607	P	95.6	Very high	91.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-75.7	-4	172.6	32.1	-37.6	0	0	0	113.9	A623 D624 Y625	P607-A623 WeakPolarHBondContact O-CA 3.27Å; P607-D624 WeakPolarHBondContact CB-O 3.32Å; P607-D624 PolarHBondContact O-N 3.4Å; P607-Y625 HydrophobicContact CB-CD1 4.14Å; P607-Y625 HydrophobicContact CB-CE1 4.34Å; P607-Y625 HydrophobicContact CB-CG 4.39Å; P607-Y625 HydrophobicContact CG-CD1 4.18Å; P607-Y625 HydrophobicContact CG-CE1 3.86Å
608	F	94.2	Very high	90.4	Very high	12 Å²	12	22.7 Å²	22.7	5%	0.053	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	143.3	-175.2	-71.3	-89.3	0	0	0	111.3	K553 T606 L622 A623 F714 F718	K553-F608 PolarHBondContact NZ-O 2.8Å; T606-F608 PolarHBondContact O-N 3.06Å; F608-L622 WeakPolarHBondContact CA-O 3.46Å; F608-A623 HydrophobicContact CD1-CB 3.77Å; F608-A623 HydrophobicContact CE1-CB 3.73Å; F608-A623 HydrophobicContact CG-CB 4.28Å; F608-A623 HydrophobicContact CZ-CB 4.19Å; F608-F714 HydrophobicContact CD2-CD2 4.15Å; F608-F714 AromaticContact CD2-CE2 3.93Å; F608-F714 HydrophobicContact CD2-CE2 3.93Å; F608-F714 HydrophobicContact CE2-CD2 4.16Å; F608-F714 HydrophobicContact CE2-CE2 4.39Å; F608-F718 HydrophobicContact CE1-CD2 4.45Å; F608-F718 HydrophobicContact CE1-CE2 4.45Å; F608-F718 HydrophobicContact CE2-CD1 4.42Å; F608-F718 HydrophobicContact CE2-CG 4.38Å; F608-F718 HydrophobicContact CZ-CB 4.45Å; F608-F718 HydrophobicContact CZ-CD1 4.3Å; F608-F718 AromaticContact CZ-CD2 3.64Å; F608-F718 HydrophobicContact CZ-CD2 3.64Å; F608-F718 HydrophobicContact CZ-CE1 4.44Å; F608-F718 AromaticContact CZ-CE2 3.8Å; F608-F718 HydrophobicContact CZ-CE2 3.8Å; F608-F718 AromaticContact CZ-CG 3.89Å; F608-F718 HydrophobicContact CZ-CG 3.89Å; F608-F718 HydrophobicContact CZ-CZ 4.2Å
609	A	93.5	Very high	89.8	Confident	0 Å²	0	22 Å²	22	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	125.2	166	0	0	0	0	0	108.4	D550 K553 I554 L622 L627	D550-A609 HydrophobicContact CB-CB 4.09Å; K553-A609 HydrophobicContact CB-CB 4.37Å; K553-A609 HydrophobicContact CD-CB 4.27Å; I554-A609 HydrophobicContact CD1-CB 3.74Å; I554-A609 HydrophobicContact CG1-CB 4.12Å; A609-L622 HydrophobicContact CB-CD2 4.49Å; A609-L622 HydrophobicContact CB-CG 4.38Å; A609-L622 PolarHBondContact N-O 3.45Å; A609-L622 VanDerWaalsContact O-CD2 3.24Å; A609-L622 WeakPolarHBondContact O-CD2 3.28Å; A609-L622 WeakPolarHBondContact O-CG 3.49Å; A609-L622 PolarHBondContact O-N 2.78Å; A609-L627 HydrophobicContact CB-CD1 4.44Å
610	V	91.1	Very high	89.4	Confident	28 Å²	28	23.8 Å²	23.8	17%	0.17	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	117.3	179.3	-171.8	0	0	0	0	109.1	D550 K619 P621	D550-V610 PolarHBondContact OD2-N 2.65Å; V610-K619 HydrophobicContact CG1-CB 4.06Å; V610-K619 HydrophobicContact CG1-CD 4.29Å; V610-K619 HydrophobicContact CG1-CG 4.4Å; V610-P621 HydrophobicContact CG2-CB 4.14Å
611	V	90	Very high	89.2	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	139.4	176.7	175.6	0	0	0	0	109.2	P520 L522 V525 I554 F566 Y620	P520-V611 WeakPolarHBondContact O-CA 3.28Å; L522-V611 HydrophobicContact CB-CG1 4.36Å; V525-V611 HydrophobicContact CG2-CG1 4.21Å; V525-V611 HydrophobicContact CG2-CG2 4.19Å; I554-V611 HydrophobicContact CG1-CG2 3.77Å; F566-V611 HydrophobicContact CE2-CB 3.97Å; F566-V611 HydrophobicContact CE2-CG1 4.03Å; F566-V611 HydrophobicContact CZ-CB 3.9Å; F566-V611 HydrophobicContact CZ-CG1 3.96Å; V611-Y620 PolarHBondContact N-O 3.2Å; V611-Y620 PolarHBondContact O-N 3.04Å
612	T	88.5	Confident	89.2	Confident	17 Å²	17	23.6 Å²	23.6	10%	0.104	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	131.4	175.4	-48.8	0	0	0	0	109.8	P520 T521 L522 D614 G617 Q618 K619	P520-T612 PolarHBondContact O-N 3.49Å; T521-T612 CarbonylContact C-O 2.92Å; T521-T612 WeakPolarHBondContact CA-O 3.17Å; L522-T612 PolarHBondContact N-O 3.4Å; T612-D614 PolarHBondContact O-N 3.43Å; T612-G617 WeakPolarHBondContact CG2-O 3.47Å; T612-Q618 WeakPolarHBondContact CA-O 3.29Å; T612-K619 HydrophobicContact CG2-CG 4.49Å; T612-K619 WeakPolarHBondContact OG1-CG 3.39Å
613	D	86.8	Confident	89.1	Confident	27 Å²	27	23.6 Å²	23.6	14%	0.144	15%	0.148	C	C	.	.			trans	-76.8	117	166.6	172.1	20.9	0	0	0	109.8	F566 A615 T616 G617 Q618 Y620	F566-D613 HydrophobicContact CE1-CB 4.49Å; D613-A615 PolarHBondContact O-N 3.19Å; D613-A615 PolarHBondContact OD1-N 2.91Å; D613-T616 WeakPolarHBondContact CB-OG1 3.14Å; D613-T616 PolarHBondContact O-N 2.76Å; D613-T616 WeakPolarHBondContact OD2-CB 2.89Å; D613-T616 VanDerWaalsContact OD2-CG2 3.26Å; D613-T616 WeakPolarHBondContact OD2-CG2 3.1Å; D613-T616 PolarHBondContact OD2-N 2.93Å; D613-T616 PolarHBondContact OD2-OG1 3.3Å; D613-G617 VanDerWaalsContact O-CA 3.32Å; D613-G617 WeakPolarHBondContact O-CA 3.35Å; D613-G617 PolarHBondContact O-N 3.04Å; D613-Q618 PolarHBondContact N-O 2.72Å; D613-Y620 HydrophobicContact CB-CD2 4.08Å; D613-Y620 HydrophobicContact CB-CE2 3.75Å
614	D	85.5	Confident	89	Confident	83 Å²	83	24.5 Å²	24.5	44%	0.444	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-28.8	179.7	-70.3	-59.9	0	0	0	113.3	T521 S523 T612	T521-D614 VanDerWaalsContact CB-CG 3.47Å; T521-D614 WeakPolarHBondContact CB-OD1 3.49Å; T521-D614 WeakPolarHBondContact CB-OD2 3.4Å; T521-D614 WeakPolarHBondContact CG2-OD1 3.24Å; T521-D614 PolarHBondContact OG1-OD1 3.33Å; S523-D614 WeakPolarHBondContact CA-OD2 3.42Å; S523-D614 WeakPolarHBondContact CB-OD2 3.47Å; S523-D614 PolarHBondContact N-OD2 3.29Å; S523-D614 PolarHBondContact OG-OD1 2.97Å; S523-D614 PolarHBondContact OG-OD2 3.18Å; T612-D614 PolarHBondContact O-N 3.43Å
615	A	84	Confident	88.9	Confident	92 Å²	92	26.1 Å²	26.1	76%	0.76	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-41	-176	0	0	0	0	0	112.4	D613	D613-A615 PolarHBondContact O-N 3.19Å; D613-A615 PolarHBondContact OD1-N 2.91Å
616	T	80.5	Confident	88.8	Confident	80 Å²	80	27.3 Å²	27.3	49%	0.491	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-16.9	-175.7	60.4	0	0	0	0	113.6	D613 Q618	D613-T616 WeakPolarHBondContact CB-OG1 3.14Å; D613-T616 PolarHBondContact O-N 2.76Å; D613-T616 WeakPolarHBondContact OD2-CB 2.89Å; D613-T616 VanDerWaalsContact OD2-CG2 3.26Å; D613-T616 WeakPolarHBondContact OD2-CG2 3.1Å; D613-T616 PolarHBondContact OD2-N 2.93Å; D613-T616 PolarHBondContact OD2-OG1 3.3Å; T616-Q618 PolarHBondContact O-N 3.02Å; T616-Q618 PolarHBondContact OG1-N 3.02Å
617	G	80.4	Confident	88.7	Confident	35 Å²	35	27.3 Å²	27.3	36%	0.361	17%	0.168	S	C	.	.			trans	73	-1	-172.6	0	0	0	0	0	114.1	T612 D613 S731	T612-G617 WeakPolarHBondContact CG2-O 3.47Å; D613-G617 VanDerWaalsContact O-CA 3.32Å; D613-G617 WeakPolarHBondContact O-CA 3.35Å; D613-G617 PolarHBondContact O-N 3.04Å; G617-S731 PolarHBondContact O-OG 3.1Å; G617-S731 VanDerWaalsContact O-OG 3.04Å
618	Q	75.9	Confident	88.8	Confident	51 Å²	51	28 Å²	28	24%	0.238	17%	0.172	C	C	.	.			trans	-77.9	133.3	-177.3	-67.4	-163.3	14.4	0	0	111.7	T612 D613 T616 Y620	T612-Q618 WeakPolarHBondContact CA-O 3.29Å; D613-Q618 PolarHBondContact N-O 2.72Å; T616-Q618 PolarHBondContact O-N 3.02Å; T616-Q618 PolarHBondContact OG1-N 3.02Å; Q618-Y620 HydrophobicContact CB-CE2 3.92Å; Q618-Y620 PolarHBondContact OE1-OH 3.46Å
619	K	82.7	Confident	88.9	Confident	10 Å²	10	27.5 Å²	27.5	4%	0.043	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	120	166.7	-72.9	-175.8	-173.1	-179.7	0	110	D519 V610 T612 P621 K728	D519-K619 WeakPolarHBondContact OD1-CE 3.41Å; D519-K619 IonicContact OD1-NZ 3.87Å; D519-K619 PolarHBondContact OD1-NZ 3.33Å; D519-K619 WeakPolarHBondContact OD2-CE 3.49Å; D519-K619 IonicContact OD2-NZ 3.08Å; D519-K619 PolarHBondContact OD2-NZ 3.19Å; V610-K619 HydrophobicContact CG1-CB 4.06Å; V610-K619 HydrophobicContact CG1-CD 4.29Å; V610-K619 HydrophobicContact CG1-CG 4.4Å; T612-K619 HydrophobicContact CG2-CG 4.49Å; T612-K619 WeakPolarHBondContact OG1-CG 3.39Å; K619-P621 VanDerWaalsContact O-CD 3.32Å; K619-P621 WeakPolarHBondContact O-CD 3.47Å; K619-K728 PolarHBondContact O-NZ 2.67Å
620	Y	84	Confident	89	Confident	40 Å²	40	29.1 Å²	29.1	16%	0.157	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	105	174.7	-69.5	-70.5	0	0	0	110.1	F566 A570 V611 D613 Q618 L622	F566-Y620 AromaticContact CE1-CD2 3.7Å; F566-Y620 HydrophobicContact CE1-CD2 3.7Å; F566-Y620 HydrophobicContact CE1-CE2 4.47Å; F566-Y620 HydrophobicContact CE1-CG 4.29Å; F566-Y620 HydrophobicContact CZ-CD2 4.3Å; A570-Y620 HydrophobicContact CB-CD1 4.06Å; A570-Y620 HydrophobicContact CB-CG 3.84Å; V611-Y620 PolarHBondContact N-O 3.2Å; V611-Y620 PolarHBondContact O-N 3.04Å; D613-Y620 HydrophobicContact CB-CD2 4.08Å; D613-Y620 HydrophobicContact CB-CE2 3.75Å; Q618-Y620 HydrophobicContact CB-CE2 3.92Å; Q618-Y620 PolarHBondContact OE1-OH 3.46Å; Y620-L622 PolarHBondContact O-N 3.36Å
621	P	85	Confident	89.3	Confident	11 Å²	11	28.1 Å²	28.1	7%	0.071	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	100.1	168.2	30.4	-30.1	0	0	0	108.4	V610 K619 D839 Q840	V610-P621 HydrophobicContact CG2-CB 4.14Å; K619-P621 VanDerWaalsContact O-CD 3.32Å; K619-P621 WeakPolarHBondContact O-CD 3.47Å; P621-D839 VanDerWaalsContact CG-OD1 3.24Å; P621-D839 WeakPolarHBondContact CG-OD1 3.36Å; P621-D839 WeakPolarHBondContact CG-OD2 3.48Å; P621-Q840 HydrophobicContact CG-CB 4.49Å
622	L	91.1	Very high	89.7	Confident	3 Å²	3	28.1 Å²	28.1	2%	0.016	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	148.8	174	68.6	131.7	0	0	0	110.3	I554 F566 F583 F608 A609 Y620 L627	I554-L622 HydrophobicContact CD1-CD1 3.5Å; I554-L622 HydrophobicContact CD1-CD2 3.88Å; I554-L622 HydrophobicContact CD1-CG 4.05Å; I554-L622 HydrophobicContact CG1-CD2 4.33Å; F566-L622 HydrophobicContact CE2-CD2 4.01Å; F566-L622 HydrophobicContact CZ-CD2 4.43Å; F583-L622 HydrophobicContact CE1-CD1 4.06Å; F583-L622 HydrophobicContact CZ-CD1 3.61Å; F608-L622 WeakPolarHBondContact CA-O 3.46Å; A609-L622 HydrophobicContact CB-CD2 4.49Å; A609-L622 HydrophobicContact CB-CG 4.38Å; A609-L622 PolarHBondContact N-O 3.45Å; A609-L622 VanDerWaalsContact O-CD2 3.24Å; A609-L622 WeakPolarHBondContact O-CD2 3.28Å; A609-L622 WeakPolarHBondContact O-CG 3.49Å; A609-L622 PolarHBondContact O-N 2.78Å; Y620-L622 PolarHBondContact O-N 3.36Å; L622-L627 HydrophobicContact CD1-CD1 3.6Å; L622-L627 HydrophobicContact CG-CD1 4.37Å
623	A	92	Very high	90.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	124.1	-175.9	0	0	0	0	0	111.6	F573 R579 P607 F608	F573-A623 HydrophobicContact CE1-CB 4.47Å; F573-A623 HydrophobicContact CZ-CB 4.19Å; R579-A623 PolarHBondContact NH1-O 2.82Å; P607-A623 WeakPolarHBondContact O-CA 3.27Å; F608-A623 HydrophobicContact CD1-CB 3.77Å; F608-A623 HydrophobicContact CE1-CB 3.73Å; F608-A623 HydrophobicContact CG-CB 4.28Å; F608-A623 HydrophobicContact CZ-CB 4.19Å
624	D	95.5	Very high	90.6	Very high	25 Å²	25	26.3 Å²	26.3	13%	0.134	16%	0.162	C	C	.	.			trans	-152.6	142.8	165.1	-155.4	-67	0	0	0	109.9	R579 F583 P607 A626 L627	R579-D624 IonicContact CZ-OD2 2.69Å; R579-D624 VanDerWaalsContact NH1-CB 3.32Å; R579-D624 IonicContact NH1-OD2 3.88Å; R579-D624 PolarHBondContact NH1-OD2 3.07Å; F583-D624 HydrophobicContact CB-CB 4.09Å; F583-D624 HydrophobicContact CD1-CB 3.72Å; F583-D624 HydrophobicContact CD2-CB 3.99Å; F583-D624 HydrophobicContact CE1-CB 4.14Å; F583-D624 HydrophobicContact CE2-CB 4.38Å; F583-D624 HydrophobicContact CG-CB 3.63Å; F583-D624 HydrophobicContact CZ-CB 4.43Å; P607-D624 WeakPolarHBondContact CB-O 3.32Å; P607-D624 PolarHBondContact O-N 3.4Å; D624-A626 HydrophobicContact CB-CB 4.4Å; D624-A626 PolarHBondContact O-N 3.4Å; D624-A626 VanDerWaalsContact O-N 3.12Å; D624-A626 PolarHBondContact OD1-N 3.46Å; D624-L627 VanDerWaalsContact O-CB 3.31Å; D624-L627 WeakPolarHBondContact O-CB 3.44Å; D624-L627 PolarHBondContact O-N 3.12Å
625	Y	95.8	Very high	91.2	Very high	35 Å²	35	22.5 Å²	22.5	14%	0.137	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-66	-12.1	174.9	-69.9	-77.9	0	0	0	113.4	W453 K455 I576 P607 L627 T628 A715	W453-Y625 AromaticContact CD1-CE2 3.76Å; W453-Y625 AromaticContact CD1-CZ 3.51Å; W453-Y625 AromaticContact CE2-CE2 3.73Å; W453-Y625 HydrophobicContact CZ2-CE2 4.23Å; W453-Y625 AromaticContact NE1-CE2 3.21Å; W453-Y625 AromaticContact NE1-CZ 3.13Å; W453-Y625 PolarHBondContact NE1-OH 2.86Å; K455-Y625 HydrophobicContact CB-CD1 3.69Å; K455-Y625 HydrophobicContact CB-CE1 3.85Å; K455-Y625 HydrophobicContact CB-CG 4.39Å; K455-Y625 HydrophobicContact CD-CD1 4.14Å; K455-Y625 HydrophobicContact CD-CD2 4.32Å; K455-Y625 HydrophobicContact CD-CG 4.01Å; I576-Y625 HydrophobicContact CD1-CD2 3.87Å; I576-Y625 HydrophobicContact CD1-CE2 3.72Å; P607-Y625 HydrophobicContact CB-CD1 4.14Å; P607-Y625 HydrophobicContact CB-CE1 4.34Å; P607-Y625 HydrophobicContact CB-CG 4.39Å; P607-Y625 HydrophobicContact CG-CD1 4.18Å; P607-Y625 HydrophobicContact CG-CE1 3.86Å; Y625-L627 PolarHBondContact O-N 2.84Å; Y625-T628 WeakPolarHBondContact O-CB 3.47Å; Y625-T628 PolarHBondContact O-N 3.37Å; Y625-T628 PolarHBondContact O-OG1 3.01Å; Y625-A715 WeakPolarHBondContact CE1-O 3.37Å; Y625-A715 PolarHBondContact OH-O 3.49Å
626	A	95.7	Very high	91.9	Very high	25 Å²	25	18.2 Å²	18.2	21%	0.207	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-65.4	-20	166.3	0	0	0	0	0	113.3	W556 F583 M586 D624	W556-A626 WeakPolarHBondContact CZ3-O 3.34Å; F583-A626 HydrophobicContact CB-CB 3.82Å; F583-A626 HydrophobicContact CD1-CB 4.35Å; M586-A626 WeakPolarHBondContact CB-O 3.34Å; M586-A626 HydrophobicContact CG-CB 3.97Å; M586-A626 VanDerWaalsContact CG-O 3.3Å; M586-A626 WeakPolarHBondContact CG-O 3.41Å; D624-A626 HydrophobicContact CB-CB 4.4Å; D624-A626 PolarHBondContact O-N 3.4Å; D624-A626 VanDerWaalsContact O-N 3.12Å; D624-A626 PolarHBondContact OD1-N 3.46Å
627	L	95.2	Very high	92.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-92.8	-5.9	177.2	-63.2	178	0	0	0	113.9	K553 I554 V557 F583 A609 L622 D624 Y625	K553-L627 HydrophobicContact CB-CD2 4.42Å; K553-L627 HydrophobicContact CD-CB 4.49Å; K553-L627 WeakPolarHBondContact CD-O 3.49Å; I554-L627 HydrophobicContact CD1-CD1 4.16Å; I554-L627 HydrophobicContact CD1-CD2 4.36Å; V557-L627 HydrophobicContact CG2-CD2 3.3Å; F583-L627 HydrophobicContact CD1-CD1 4.43Å; F583-L627 HydrophobicContact CD1-CD2 4.16Å; F583-L627 HydrophobicContact CD1-CG 4.01Å; F583-L627 HydrophobicContact CE1-CD1 3.66Å; F583-L627 HydrophobicContact CE1-CD2 3.82Å; F583-L627 HydrophobicContact CE1-CG 3.68Å; F583-L627 HydrophobicContact CZ-CD1 4.31Å; A609-L627 HydrophobicContact CB-CD1 4.44Å; L622-L627 HydrophobicContact CD1-CD1 3.6Å; L622-L627 HydrophobicContact CG-CD1 4.37Å; D624-L627 VanDerWaalsContact O-CB 3.31Å; D624-L627 WeakPolarHBondContact O-CB 3.44Å; D624-L627 PolarHBondContact O-N 3.12Å; Y625-L627 PolarHBondContact O-N 2.84Å
628	T	96.7	Very high	93.4	Very high	15 Å²	15	16 Å²	16	9%	0.092	8%	0.083	C	C	.	.	S	Bend	trans	-60.9	128.9	176.7	-60.4	0	0	0	0	108.7	P457 Y625 D630	P457-T628 HydrophobicContact CG-CG2 3.77Å; Y625-T628 WeakPolarHBondContact O-CB 3.47Å; Y625-T628 PolarHBondContact O-N 3.37Å; Y625-T628 PolarHBondContact O-OG1 3.01Å; T628-D630 PolarHBondContact O-N 3.38Å
629	P	96.9	Very high	94.4	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.006	7%	0.072	C	C	.	.			trans	-53.5	142.1	174.3	-28.5	38.5	0	0	0	111	P457 M592 A594 E604 M631	P457-P629 WeakPolarHBondContact CA-O 3.45Å; P457-P629 WeakPolarHBondContact CB-O 3.35Å; P457-P629 VanDerWaalsContact CG-O 3.32Å; P457-P629 WeakPolarHBondContact CG-O 3.49Å; M592-P629 HydrophobicContact CG-CB 4.37Å; M592-P629 CarbonylContact O-C 3.56Å; A594-P629 HydrophobicContact CB-CB 3.94Å; A594-P629 HydrophobicContact CB-CG 3.81Å; E604-P629 WeakPolarHBondContact O-CG 3.36Å; P629-M631 PolarHBondContact O-N 2.88Å
630	D	95.7	Very high	95	Very high	34 Å²	34	13.9 Å²	13.9	18%	0.182	7%	0.074	C	C	.	.	S	Bend	trans	-65.5	-32.7	173.3	-68	-94.5	0	0	0	110.8	K458 W556 K591 M592 T628	K458-D630 WeakPolarHBondContact CG-O 3.46Å; K458-D630 PolarHBondContact N-O 2.97Å; W556-D630 WeakPolarHBondContact CH2-OD2 3.09Å; K591-D630 HydrophobicContact CD-CB 4.02Å; K591-D630 VanDerWaalsContact CD-OD1 3.3Å; K591-D630 WeakPolarHBondContact CD-OD1 3.45Å; K591-D630 WeakPolarHBondContact CD-OD2 3.27Å; K591-D630 IonicContact NZ-OD1 2.65Å; K591-D630 PolarHBondContact NZ-OD1 3.22Å; M592-D630 PolarHBondContact N-OD2 3.47Å; M592-D630 PolarHBondContact O-N 3.12Å; T628-D630 PolarHBondContact O-N 3.38Å
631	M	96.9	Very high	95.5	Very high	7 Å²	7	17.7 Å²	17.7	3%	0.034	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	138	178.7	-179.7	-172.6	-51.1	0	0	111.5	S459 Y461 A470 E473 M592 I593 A594 P629 I633	S459-M631 CarbonylContact O-C 3.59Å; S459-M631 VanDerWaalsContact O-CA 3.31Å; S459-M631 WeakPolarHBondContact O-CA 3.48Å; Y461-M631 HydrophobicContact CD2-CG 4.12Å; Y461-M631 HydrophobicContact CD2-SD 4Å; Y461-M631 HydrophobicContact CE2-CE 4.27Å; Y461-M631 HydrophobicContact CE2-CG 4.19Å; Y461-M631 HydrophobicContact CE2-SD 3.92Å; A470-M631 HydrophobicContact CB-SD 4.48Å; E473-M631 HydrophobicContact CB-CE 3.94Å; E473-M631 HydrophobicContact CG-CE 3.9Å; E473-M631 WeakPolarHBondContact OE2-CE 3.37Å; M592-M631 PolarHBondContact O-N 3.41Å; I593-M631 CarbonylContact C-O 3.51Å; I593-M631 WeakPolarHBondContact CA-O 3.45Å; I593-M631 HydrophobicContact CD1-CE 4.25Å; I593-M631 HydrophobicContact CD1-SD 4.2Å; I593-M631 HydrophobicContact CG1-CB 4.15Å; I593-M631 HydrophobicContact CG2-CB 4.21Å; I593-M631 HydrophobicContact CG2-CG 4.28Å; I593-M631 HydrophobicContact CG2-SD 4.11Å; A594-M631 PolarHBondContact N-O 3.21Å; P629-M631 PolarHBondContact O-N 2.88Å; M631-I633 HydrophobicContact CG-CG1 4.26Å; M631-I633 HydrophobicContact SD-CD1 4.03Å; M631-I633 HydrophobicContact SD-CG1 4.13Å
632	A	97.9	Very high	95.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.4	173.1	0	0	0	0	0	110.7	P457 S459 I460 Y461 A594 E604 V605	P457-A632 HydrophobicContact CB-CB 4.42Å; P457-A632 HydrophobicContact CG-CB 4.22Å; S459-A632 PolarHBondContact O-N 3.18Å; I460-A632 CarbonylContact C-O 3.53Å; I460-A632 WeakPolarHBondContact CA-O 3.45Å; I460-A632 HydrophobicContact CG1-CB 4.27Å; I460-A632 HydrophobicContact CG2-CB 4.37Å; Y461-A632 PolarHBondContact N-O 3.45Å; A594-A632 CarbonylContact O-C 3.6Å; A594-A632 WeakPolarHBondContact O-CA 3.41Å; E604-A632 HydrophobicContact CB-CB 4.08Å; E604-A632 HydrophobicContact CG-CB 4.24Å; E604-A632 WeakPolarHBondContact O-CB 3.31Å; V605-A632 HydrophobicContact CG1-CB 3.96Å
633	I	98	Very high	96	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.2	178.5	-58	171.6	0	0	0	108.3	Y461 L467 A470 L471 I593 A594 V595 T596 M631	Y461-I633 WeakPolarHBondContact O-CA 3.27Å; L467-I633 HydrophobicContact CD1-CD1 4.49Å; L467-I633 HydrophobicContact CD1-CG2 4.23Å; A470-I633 HydrophobicContact CB-CD1 3.51Å; A470-I633 HydrophobicContact CB-CG1 3.72Å; A470-I633 HydrophobicContact CB-CG2 4.4Å; L471-I633 HydrophobicContact CD2-CD1 4.27Å; I593-I633 HydrophobicContact CG2-CD1 3.86Å; I593-I633 HydrophobicContact CG2-CG1 4.39Å; A594-I633 PolarHBondContact O-N 2.88Å; V595-I633 WeakPolarHBondContact CA-O 3.39Å; V595-I633 HydrophobicContact CG1-CG2 4.49Å; V595-I633 HydrophobicContact CG2-CB 4.13Å; V595-I633 HydrophobicContact CG2-CD1 4.04Å; T596-I633 PolarHBondContact N-O 3.34Å; T596-I633 VanDerWaalsContact N-O 3.09Å; M631-I633 HydrophobicContact CG-CG1 4.26Å; M631-I633 HydrophobicContact SD-CD1 4.03Å; M631-I633 HydrophobicContact SD-CG1 4.13Å
634	V	97.9	Very high	96.2	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.03	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	69.6	-173.8	-170	0	0	0	0	108.6	Y461 F462 T596 E604 H704 T708	Y461-V634 PolarHBondContact O-N 3.24Å; F462-V634 HydrophobicContact CB-CB 4.21Å; T596-V634 HydrophobicContact CG2-CB 4.2Å; T596-V634 HydrophobicContact CG2-CG1 4.02Å; T596-V634 HydrophobicContact CG2-CG2 3.96Å; E604-V634 HydrophobicContact CG-CG2 4.3Å; V634-H704 WeakPolarHBondContact CG1-CD2 3.16Å; V634-H704 WeakPolarHBondContact CG1-NE2 3.29Å; V634-T708 WeakPolarHBondContact CG1-OG1 3.47Å; V634-T708 HydrophobicContact CG2-CG2 3.93Å
635	D	97.9	Very high	96.2	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.021	16%	0.156	C	C	.	.			trans	-86.4	109	-179.9	-167.1	-26	0	0	0	110.7	R464 G465 S466 L467 N637 L638	R464-D635 WeakPolarHBondContact CA-OD1 3.49Å; G465-D635 VanDerWaalsContact C-OD2 3.3Å; G465-D635 WeakPolarHBondContact CA-OD2 3.49Å; G465-D635 VanDerWaalsContact N-CG 3.3Å; G465-D635 PolarHBondContact N-OD1 3.14Å; G465-D635 PolarHBondContact N-OD2 3.12Å; S466-D635 PolarHBondContact N-OD2 2.84Å; S466-D635 WeakPolarHBondContact OG-CB 3.48Å; L467-D635 HydrophobicContact CB-CB 4.36Å; L467-D635 PolarHBondContact N-OD2 3.2Å; L467-D635 VanDerWaalsContact N-OD2 3.08Å; D635-N637 PolarHBondContact O-N 2.93Å; D635-N637 VanDerWaalsContact OD1-CB 3.3Å; D635-N637 WeakPolarHBondContact OD1-CB 3.21Å; D635-N637 PolarHBondContact OD1-N 3.11Å; D635-L638 HydrophobicContact CB-CD1 4.27Å; D635-L638 HydrophobicContact CB-CG 4.25Å; D635-L638 PolarHBondContact O-N 3.33Å
636	A	97.6	Very high	96.1	Very high	2 Å²	2	29.7 Å²	29.7	2%	0.017	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-65.3	-12.9	-178.3	0	0	0	0	0	114.1	R464 L638 V639 M640 E701	R464-A636 HydrophobicContact CG-CB 3.84Å; A636-L638 PolarHBondContact O-N 3.45Å; A636-V639 HydrophobicContact CB-CG2 4.4Å; A636-V639 WeakPolarHBondContact O-CG2 3.49Å; A636-V639 PolarHBondContact O-N 3.32Å; A636-M640 HydrophobicContact CB-CE 4.06Å; A636-M640 WeakPolarHBondContact O-CE 3.44Å; A636-E701 HydrophobicContact CB-CB 3.69Å; A636-E701 HydrophobicContact CB-CG 3.66Å
637	N	97.1	Very high	96.2	Very high	62 Å²	62	28.6 Å²	28.6	33%	0.332	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-61.6	-28.6	171.6	-73.2	-23.4	0	0	0	112.2	R464 G465 D635 V639	R464-N637 WeakPolarHBondContact CB-OD1 3.48Å; R464-N637 PolarHBondContact NE-OD1 3.18Å; R464-N637 PolarHBondContact NH2-OD1 2.94Å; G465-N637 PolarHBondContact N-ND2 2.96Å; D635-N637 PolarHBondContact O-N 2.93Å; D635-N637 VanDerWaalsContact OD1-CB 3.3Å; D635-N637 WeakPolarHBondContact OD1-CB 3.21Å; D635-N637 PolarHBondContact OD1-N 3.11Å; N637-V639 PolarHBondContact O-N 2.66Å
638	L	96.3	Very high	96.3	Very high	6 Å²	6	28.7 Å²	28.7	3%	0.031	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-76.5	-10.5	-175.3	-52.5	178	0	0	0	113.6	Y495 L543 V595 T597 D635 A636	Y495-L638 HydrophobicContact CD1-CB 4.41Å; Y495-L638 HydrophobicContact CD1-CD2 4.03Å; Y495-L638 HydrophobicContact CE1-CB 4.24Å; Y495-L638 HydrophobicContact CE1-CD2 4.37Å; Y495-L638 VanDerWaalsContact CE1-O 3.3Å; Y495-L638 WeakPolarHBondContact CE1-O 3.4Å; L543-L638 HydrophobicContact CD1-CD1 4.39Å; V595-L638 HydrophobicContact CG1-CD1 3.51Å; T597-L638 HydrophobicContact CG2-CB 3.85Å; T597-L638 HydrophobicContact CG2-CD1 3.98Å; D635-L638 HydrophobicContact CB-CD1 4.27Å; D635-L638 HydrophobicContact CB-CG 4.25Å; D635-L638 PolarHBondContact O-N 3.33Å; A636-L638 PolarHBondContact O-N 3.45Å
639	V	96.6	Very high	96.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-110.6	-1.3	-176.4	-64.8	0	0	0	0	114.1	T597 A636 N637 D641 M642 R700 H704	T597-V639 WeakPolarHBondContact O-CG1 3.34Å; A636-V639 HydrophobicContact CB-CG2 4.4Å; A636-V639 WeakPolarHBondContact O-CG2 3.49Å; A636-V639 PolarHBondContact O-N 3.32Å; N637-V639 PolarHBondContact O-N 2.66Å; V639-D641 VanDerWaalsContact C-N 3.27Å; V639-D641 PolarHBondContact O-N 3.37Å; V639-M642 HydrophobicContact CB-CE 4.12Å; V639-M642 HydrophobicContact CG1-CE 3.82Å; V639-M642 WeakPolarHBondContact O-CB 3.39Å; V639-M642 PolarHBondContact O-N 2.92Å; V639-R700 HydrophobicContact CB-CG 4.25Å; V639-R700 HydrophobicContact CG2-CG 3.57Å; V639-R700 VanDerWaalsContact O-CD 3.3Å; V639-R700 WeakPolarHBondContact O-CD 3.45Å; V639-H704 HydrophobicContact CG2-CB 4.1Å
640	M	96	Very high	96.3	Very high	17 Å²	17	30.4 Å²	30.4	8%	0.084	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-36	-174	-66.2	-66.8	151.7	0	0	112.5	A636 S694 P697 R700	A636-M640 HydrophobicContact CB-CE 4.06Å; A636-M640 WeakPolarHBondContact O-CE 3.44Å; M640-S694 WeakPolarHBondContact O-CB 3.42Å; M640-P697 HydrophobicContact CE-CB 4.01Å; M640-P697 HydrophobicContact SD-CB 3.73Å; M640-R700 HydrophobicContact CE-CB 3.89Å; M640-R700 HydrophobicContact CE-CG 3.97Å; M640-R700 HydrophobicContact SD-CB 3.93Å; M640-R700 HydrophobicContact SD-CG 3.94Å
641	D	93.9	Very high	96.3	Very high	119 Å²	119	28.8 Å²	28.8	64%	0.636	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.7	13.8	-175.6	-57.2	-45.2	0	0	0	113.6	V639	V639-D641 VanDerWaalsContact C-N 3.27Å; V639-D641 PolarHBondContact O-N 3.37Å
642	M	92.4	Very high	96.4	Very high	24 Å²	24	28.6 Å²	28.6	12%	0.118	16%	0.155	C	C	.	.			trans	-62	138.1	177.4	-176.4	-177.2	-69.7	0	0	111.8	T597 V639 L646 C647	T597-M642 WeakPolarHBondContact O-CE 3.14Å; V639-M642 HydrophobicContact CB-CE 4.12Å; V639-M642 HydrophobicContact CG1-CE 3.82Å; V639-M642 WeakPolarHBondContact O-CB 3.39Å; V639-M642 PolarHBondContact O-N 2.92Å; M642-L646 HydrophobicContact CE-CD2 4.1Å; M642-L646 HydrophobicContact CE-CG 4.22Å; M642-L646 HydrophobicContact CG-CB 3.72Å; M642-L646 HydrophobicContact CG-CD2 3.88Å; M642-L646 HydrophobicContact CG-CG 3.91Å; M642-L646 HydrophobicContact SD-CB 3.89Å; M642-L646 HydrophobicContact SD-CD2 4.06Å; M642-L646 HydrophobicContact SD-CG 3.68Å; M642-C647 HydrophobicContact SD-CB 4.36Å; M642-C647 PolarHBondContact SD-N 3.42Å
643	P	94.1	Very high	96.4	Very high	69 Å²	69	29.1 Å²	29.1	45%	0.448	16%	0.158	S	C	.	.			trans	-65.2	154	176.2	27.2	-34.8	0	0	0	112	S645 L646 C647	P643-S645 VanDerWaalsContact C-N 3.27Å; P643-S645 PolarHBondContact O-N 2.5Å; P643-L646 HydrophobicContact CG-CB 3.95Å; P643-L646 PolarHBondContact O-N 3.48Å; P643-L646 VanDerWaalsContact O-N 3.17Å; P643-C647 PolarHBondContact O-N 3.22Å
644	K	97	Very high	96.4	Very high	108 Å²	108	29.1 Å²	29.1	47%	0.47	16%	0.158	S	C	.	.	H	α-helix	trans	-52.6	-42	179.5	-77.9	-163.8	176.3	-166.5	0	113.5	C647 A648 Y690	K644-C647 WeakPolarHBondContact O-CB 3.3Å; K644-C647 PolarHBondContact O-N 3.13Å; K644-A648 WeakPolarHBondContact O-CB 3.47Å; K644-A648 PolarHBondContact O-N 2.69Å; K644-Y690 HydrophobicContact CB-CD2 3.99Å; K644-Y690 HydrophobicContact CB-CE2 3.57Å; K644-Y690 HydrophobicContact CD-CE1 4.4Å; K644-Y690 HydrophobicContact CD-CE2 4.18Å; K644-Y690 WeakPolarHBondContact CE-O 3.42Å; K644-Y690 HydrophobicContact CG-CD2 4.34Å; K644-Y690 HydrophobicContact CG-CE2 4.19Å; K644-Y690 VanDerWaalsContact O-CD2 3.31Å; K644-Y690 WeakPolarHBondContact O-CD2 3.38Å; K644-Y690 WeakPolarHBondContact O-CE2 3.09Å
645	S	95.1	Very high	96.4	Very high	61 Å²	61	28.9 Å²	28.9	43%	0.427	16%	0.156	S	C	.	.	H	α-helix	trans	-60.9	-48.3	178.9	49.4	0	0	0	0	112.2	P643 C647 A648 F649	P643-S645 VanDerWaalsContact C-N 3.27Å; P643-S645 PolarHBondContact O-N 2.5Å; S645-C647 VanDerWaalsContact C-N 3.33Å; S645-C647 PolarHBondContact O-N 3.15Å; S645-A648 PolarHBondContact O-N 2.92Å; S645-F649 WeakPolarHBondContact O-CD2 3.33Å; S645-F649 WeakPolarHBondContact O-CG 3.46Å; S645-F649 PolarHBondContact O-N 3.16Å
646	L	93.9	Very high	96.5	Very high	64 Å²	64	28.8 Å²	28.8	34%	0.335	16%	0.156	S	C	.	.	H	α-helix	trans	-68.7	-33.7	-179.8	-170.9	59.4	0	0	0	111.8	T598 M642 P643 G650	T598-L646 HydrophobicContact CG2-CD1 3.9Å; T598-L646 HydrophobicContact CG2-CD2 4.47Å; T598-L646 HydrophobicContact CG2-CG 4.23Å; M642-L646 HydrophobicContact CE-CD2 4.1Å; M642-L646 HydrophobicContact CE-CG 4.22Å; M642-L646 HydrophobicContact CG-CB 3.72Å; M642-L646 HydrophobicContact CG-CD2 3.88Å; M642-L646 HydrophobicContact CG-CG 3.91Å; M642-L646 HydrophobicContact SD-CB 3.89Å; M642-L646 HydrophobicContact SD-CD2 4.06Å; M642-L646 HydrophobicContact SD-CG 3.68Å; P643-L646 HydrophobicContact CG-CB 3.95Å; P643-L646 PolarHBondContact O-N 3.48Å; P643-L646 VanDerWaalsContact O-N 3.17Å; L646-G650 PolarHBondContact O-N 2.72Å
647	C	97.2	Very high	96.5	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.02	16%	0.156	C	C	.	.	H	α-helix	trans	-59.8	-46.7	169.6	176.8	0	0	0	0	111.7	M642 P643 K644 S645 G651 R700	M642-C647 HydrophobicContact SD-CB 4.36Å; M642-C647 PolarHBondContact SD-N 3.42Å; P643-C647 PolarHBondContact O-N 3.22Å; K644-C647 WeakPolarHBondContact O-CB 3.3Å; K644-C647 PolarHBondContact O-N 3.13Å; S645-C647 VanDerWaalsContact C-N 3.33Å; S645-C647 PolarHBondContact O-N 3.15Å; C647-G651 PolarHBondContact O-N 3.45Å; C647-R700 PolarHBondContact SG-NH1 3.38Å
648	A	97.9	Very high	96.6	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.008	14%	0.14	C	C	.	.	H	α-helix	trans	-66.7	-51.8	-179.1	0	0	0	0	0	111.6	K644 S645 G651 L652 Y690 L809 I811	K644-A648 WeakPolarHBondContact O-CB 3.47Å; K644-A648 PolarHBondContact O-N 2.69Å; S645-A648 PolarHBondContact O-N 2.92Å; A648-G651 PolarHBondContact O-N 2.94Å; A648-L652 WeakPolarHBondContact O-CB 3.45Å; A648-L652 WeakPolarHBondContact O-CG 3.27Å; A648-L652 PolarHBondContact O-N 2.6Å; A648-Y690 HydrophobicContact CB-CD2 3.98Å; A648-Y690 HydrophobicContact CB-CE2 3.99Å; A648-L809 HydrophobicContact CB-CB 3.96Å; A648-L809 HydrophobicContact CB-CD1 4.49Å; A648-I811 HydrophobicContact CB-CD1 4.37Å
649	F	97	Very high	96.7	Very high	47 Å²	47	25.6 Å²	25.6	21%	0.206	14%	0.139	C	C	.	.	H	α-helix	trans	-64.9	-46	-177.4	-58.2	-18.4	0	0	0	111.1	S645 L652 D653 P736 G738 L739 I811	S645-F649 WeakPolarHBondContact O-CD2 3.33Å; S645-F649 WeakPolarHBondContact O-CG 3.46Å; S645-F649 PolarHBondContact O-N 3.16Å; F649-L652 PolarHBondContact O-N 2.91Å; F649-D653 VanDerWaalsContact O-CB 3.25Å; F649-D653 WeakPolarHBondContact O-CB 3.36Å; F649-D653 PolarHBondContact O-N 3.29Å; F649-P736 HydrophobicContact CD2-CB 3.9Å; F649-P736 HydrophobicContact CD2-CG 4.33Å; F649-P736 HydrophobicContact CE2-CB 4.1Å; F649-P736 HydrophobicContact CE2-CG 4.03Å; F649-G738 WeakPolarHBondContact O-CA 3.07Å; F649-L739 HydrophobicContact CD1-CB 4.06Å; F649-L739 HydrophobicContact CE1-CB 3.99Å; F649-L739 HydrophobicContact CE1-CD1 4.24Å; F649-L739 HydrophobicContact CE1-CD2 4.43Å; F649-L739 HydrophobicContact CE1-CG 4.45Å; F649-L739 HydrophobicContact CG-CB 4.43Å; F649-L739 HydrophobicContact CZ-CB 4.29Å; F649-L739 HydrophobicContact CZ-CD2 4.25Å; F649-I811 HydrophobicContact CD1-CD1 3.78Å; F649-I811 HydrophobicContact CE1-CD1 3.63Å
650	G	95.6	Very high	96.8	Very high	5 Å²	5	25.7 Å²	25.7	5%	0.052	14%	0.139	C	C	.	.	H	α-helix	trans	-62.8	-46.4	176.8	0	0	0	0	0	112.4	S599 G600 L646 L652 D653 A654	S599-G650 CarbonylContact O-C 3.6Å; S599-G650 WeakPolarHBondContact O-CA 3.41Å; G600-G650 WeakPolarHBondContact CA-O 3.4Å; L646-G650 PolarHBondContact O-N 2.72Å; G650-L652 PolarHBondContact O-N 3.02Å; G650-D653 WeakPolarHBondContact O-CB 3.25Å; G650-D653 PolarHBondContact O-N 3.06Å; G650-A654 PolarHBondContact O-N 2.92Å
651	G	97.1	Very high	96.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.6	-40.2	179.9	0	0	0	0	0	113.4	S599 C647 A648 A654 V655	S599-G651 PolarHBondContact O-N 3.31Å; C647-G651 PolarHBondContact O-N 3.45Å; A648-G651 PolarHBondContact O-N 2.94Å; G651-A654 PolarHBondContact O-N 3.03Å; G651-V655 WeakPolarHBondContact O-CG2 3.49Å; G651-V655 PolarHBondContact O-N 3.47Å
652	L	97.9	Very high	97.2	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.016	11%	0.108	C	C	.	.	H	α-helix	trans	-75	-28.9	178	-74.7	167	0	0	0	113.4	A648 F649 G650 V655 T656 A742 L805 K806 L809 I811	A648-L652 WeakPolarHBondContact O-CB 3.45Å; A648-L652 WeakPolarHBondContact O-CG 3.27Å; A648-L652 PolarHBondContact O-N 2.6Å; F649-L652 PolarHBondContact O-N 2.91Å; G650-L652 PolarHBondContact O-N 3.02Å; L652-V655 PolarHBondContact O-N 2.72Å; L652-T656 PolarHBondContact O-N 3.06Å; L652-T656 PolarHBondContact O-OG1 2.95Å; L652-A742 HydrophobicContact CB-CB 4.13Å; L652-A742 HydrophobicContact CD1-CB 3.87Å; L652-A742 HydrophobicContact CG-CB 4.5Å; L652-L805 HydrophobicContact CD2-CD2 3.87Å; L652-L805 HydrophobicContact CD2-CG 4.14Å; L652-K806 HydrophobicContact CD2-CG 4.42Å; L652-L809 HydrophobicContact CD1-CD1 3.86Å; L652-L809 HydrophobicContact CD2-CD1 4.24Å; L652-L809 HydrophobicContact CG-CD1 3.87Å; L652-I811 HydrophobicContact CD1-CD1 3.73Å; L652-I811 HydrophobicContact CD1-CG1 3.41Å; L652-I811 VanDerWaalsContact CD1-CG1 3.41Å
653	D	97.9	Very high	97.5	Very high	11 Å²	11	19 Å²	19	6%	0.059	10%	0.103	C	C	.	.	H	α-helix	trans	-61.2	-51.1	167.6	-171.3	26.4	0	0	0	110.6	F649 G650 V655 T656 H657 H723 H737 N741	F649-D653 VanDerWaalsContact O-CB 3.25Å; F649-D653 WeakPolarHBondContact O-CB 3.36Å; F649-D653 PolarHBondContact O-N 3.29Å; G650-D653 WeakPolarHBondContact O-CB 3.25Å; G650-D653 PolarHBondContact O-N 3.06Å; D653-V655 VanDerWaalsContact C-N 3.27Å; D653-V655 PolarHBondContact O-N 3.42Å; D653-T656 CarbonylContact O-C 3.58Å; D653-T656 WeakPolarHBondContact O-CA 3.33Å; D653-T656 WeakPolarHBondContact O-CB 3.4Å; D653-T656 PolarHBondContact O-N 3.36Å; D653-H657 PolarHBondContact O-N 3.47Å; D653-H657 IonicContact OD1-CD2 2.75Å; D653-H657 IonicContact OD1-CE1 3.48Å; D653-H657 IonicContact OD1-NE2 3.57Å; D653-H657 IonicContact OD2-CE1 3.52Å; D653-H657 PolarHBondContact OD2-CE1 3.27Å; D653-H657 IonicContact OD2-NE2 2.64Å; D653-H723 IonicContact OD1-NE2 2.64Å; D653-H723 PolarHBondContact OD1-NE2 2.98Å; D653-H737 IonicContact OD1-CD2 3.09Å; D653-H737 IonicContact OD1-NE2 3.68Å; D653-H737 IonicContact OD2-CD2 2.61Å; D653-N741 PolarHBondContact OD1-ND2 3.23Å
654	A	98.3	Very high	97.7	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-58.9	-34.4	175.1	0	0	0	0	0	113.7	G650 G651 T656 A658 L682 A707	G650-A654 PolarHBondContact O-N 2.92Å; G651-A654 PolarHBondContact O-N 3.03Å; A654-T656 VanDerWaalsContact C-N 3.35Å; A654-A658 PolarHBondContact O-N 2.99Å; A654-A658 VanDerWaalsContact O-N 3.13Å; A654-L682 HydrophobicContact CB-CD1 3.79Å; A654-L682 HydrophobicContact CB-CD2 4.33Å; A654-A707 HydrophobicContact CB-CB 3.85Å
655	V	98.6	Very high	97.7	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.006	6%	0.062	C	C	.	.	H	α-helix	trans	-60.6	-47.6	170.7	168.8	0	0	0	0	110	G651 L652 D653 A658 M659 L679 L682 W801 L802 L805	G651-V655 WeakPolarHBondContact O-CG2 3.49Å; G651-V655 PolarHBondContact O-N 3.47Å; L652-V655 PolarHBondContact O-N 2.72Å; D653-V655 VanDerWaalsContact C-N 3.27Å; D653-V655 PolarHBondContact O-N 3.42Å; V655-A658 PolarHBondContact O-N 3.45Å; V655-M659 HydrophobicContact CG1-CE 4.37Å; V655-M659 WeakPolarHBondContact O-CB 3.45Å; V655-M659 PolarHBondContact O-N 2.98Å; V655-L679 HydrophobicContact CB-CD2 4.37Å; V655-L679 HydrophobicContact CG1-CD2 3.92Å; V655-L682 HydrophobicContact CB-CD1 4.5Å; V655-L682 HydrophobicContact CG2-CB 3.95Å; V655-L682 HydrophobicContact CG2-CD1 3.76Å; V655-L682 HydrophobicContact CG2-CG 4.38Å; V655-W801 HydrophobicContact CG1-CH2 4.18Å; V655-W801 HydrophobicContact CG1-CZ3 4.4Å; V655-W801 HydrophobicContact CG2-CH2 4.41Å; V655-L802 HydrophobicContact CG1-CD2 3.72Å; V655-L805 HydrophobicContact CG2-CD2 4.45Å
656	T	98.6	Very high	97.9	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.006	5%	0.049	C	C	.	.	H	α-helix	trans	-66.1	-43.2	-179.4	-51.7	0	0	0	0	111.5	L652 D653 A654 A658 M659 E660 C722 N741 I745	L652-T656 PolarHBondContact O-N 3.06Å; L652-T656 PolarHBondContact O-OG1 2.95Å; D653-T656 CarbonylContact O-C 3.58Å; D653-T656 WeakPolarHBondContact O-CA 3.33Å; D653-T656 WeakPolarHBondContact O-CB 3.4Å; D653-T656 PolarHBondContact O-N 3.36Å; A654-T656 VanDerWaalsContact C-N 3.35Å; T656-A658 PolarHBondContact O-N 3.04Å; T656-M659 PolarHBondContact O-N 3.05Å; T656-E660 HydrophobicContact CG2-CG 4.35Å; T656-E660 PolarHBondContact O-N 3.3Å; T656-C722 HydrophobicContact CG2-CB 3.89Å; T656-N741 HydrophobicContact CG2-CB 4.12Å; T656-I745 HydrophobicContact CG2-CB 4.37Å; T656-I745 HydrophobicContact CG2-CD1 3.81Å; T656-I745 HydrophobicContact CG2-CG1 4.19Å
657	H	98.5	Very high	98.1	Very high	4 Å²	4	6.9 Å²	6.9	2%	0.019	4%	0.037	C	C	.	.	H	α-helix	trans	-50.5	-53.8	173	-74.7	155.7	0	0	0	111.9	G600 T601 D653 A661 A710 F714 L719 H723	G600-H657 PolarHBondContact O-CE1 3.4Å; G600-H657 PolarHBondContact O-ND1 3.45Å; T601-H657 PolarHBondContact O-CE1 3.19Å; D653-H657 PolarHBondContact O-N 3.47Å; D653-H657 IonicContact OD1-CD2 2.75Å; D653-H657 IonicContact OD1-CE1 3.48Å; D653-H657 IonicContact OD1-NE2 3.57Å; D653-H657 IonicContact OD2-CE1 3.52Å; D653-H657 PolarHBondContact OD2-CE1 3.27Å; D653-H657 IonicContact OD2-NE2 2.64Å; H657-A661 WeakPolarHBondContact O-CB 3.5Å; H657-A661 PolarHBondContact O-N 3.47Å; H657-A710 HydrophobicContact CB-CB 3.86Å; H657-F714 HydrophobicContact CB-CD1 3.82Å; H657-F714 HydrophobicContact CB-CE1 4.18Å; H657-F714 AromaticContact CD2-CD1 3.97Å; H657-F714 AromaticContact CD2-CE1 3.82Å; H657-F714 AromaticContact CE1-CE1 3.78Å; H657-F714 AromaticContact CG-CD1 3.77Å; H657-F714 AromaticContact CG-CE1 3.67Å; H657-F714 AromaticContact ND1-CE1 3.63Å; H657-F714 AromaticContact NE2-CE1 3.86Å; H657-F714 AromaticContact NE2-CZ 3.91Å; H657-L719 HydrophobicContact CB-CD2 4.41Å; H657-H723 AromaticContact CD2-CE1 3.32Å; H657-H723 PolarHBondContact CD2-CE1 2.96Å; H657-H723 AromaticContact CD2-NE2 3.14Å; H657-H723 PolarHBondContact CD2-NE2 3.15Å; H657-H723 AromaticContact NE2-CE1 3.8Å; H657-H723 AromaticContact NE2-NE2 3.11Å; H657-H723 PolarHBondContact NE2-NE2 3.33Å; H657-H723 VanDerWaalsContact NE2-NE2 3.11Å
658	A	98.7	Very high	98.2	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-69.6	-36.9	-179.1	0	0	0	0	0	112.5	A654 V655 T656 Y662 A675 A678 L679 A710	A654-A658 PolarHBondContact O-N 2.99Å; A654-A658 VanDerWaalsContact O-N 3.13Å; V655-A658 PolarHBondContact O-N 3.45Å; T656-A658 PolarHBondContact O-N 3.04Å; A658-Y662 WeakPolarHBondContact O-CB 3.19Å; A658-Y662 PolarHBondContact O-N 3.03Å; A658-A675 HydrophobicContact CB-CB 4.13Å; A658-A675 WeakPolarHBondContact CB-O 3.47Å; A658-A678 HydrophobicContact CB-CB 4.26Å; A658-L679 HydrophobicContact CB-CD1 4.07Å; A658-L679 HydrophobicContact CB-CD2 4.02Å; A658-L679 HydrophobicContact CB-CG 3.63Å; A658-A710 HydrophobicContact CB-CB 4.07Å
659	M	98.6	Very high	98.2	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.8	-45.5	179.2	-163.6	68.5	73.6	0	0	111.8	V655 T656 V663 L679 I745 I749 Y775 I778 L798 W801	V655-M659 HydrophobicContact CG1-CE 4.37Å; V655-M659 WeakPolarHBondContact O-CB 3.45Å; V655-M659 PolarHBondContact O-N 2.98Å; T656-M659 PolarHBondContact O-N 3.05Å; M659-V663 WeakPolarHBondContact O-CG1 3.43Å; M659-V663 PolarHBondContact O-N 3.42Å; M659-V663 VanDerWaalsContact O-N 3.15Å; M659-L679 HydrophobicContact CE-CD1 4.5Å; M659-L679 HydrophobicContact CE-CD2 4.03Å; M659-I745 HydrophobicContact CB-CD1 4.47Å; M659-I745 HydrophobicContact CG-CD1 4.21Å; M659-I749 HydrophobicContact CE-CD1 4.43Å; M659-I749 HydrophobicContact CG-CD1 4.04Å; M659-I749 HydrophobicContact CG-CG1 4.35Å; M659-I749 HydrophobicContact SD-CD1 4.27Å; M659-Y775 HydrophobicContact CG-CD1 4.28Å; M659-Y775 HydrophobicContact CG-CE1 3.78Å; M659-Y775 HydrophobicContact SD-CD1 3.89Å; M659-Y775 HydrophobicContact SD-CE1 4.03Å; M659-I778 HydrophobicContact CE-CG2 4.27Å; M659-I778 HydrophobicContact SD-CD1 3.36Å; M659-I778 WeakPolarHBondContact SD-CD1 3.25Å; M659-I778 HydrophobicContact SD-CG2 4.14Å; M659-L798 HydrophobicContact CE-CD1 4.01Å; M659-L798 HydrophobicContact CE-CD2 4.15Å; M659-L798 HydrophobicContact CE-CG 4.33Å; M659-L798 HydrophobicContact SD-CD2 3.98Å; M659-W801 HydrophobicContact CE-CZ3 4.21Å
660	E	98.6	Very high	98.3	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-73.9	-40.3	177.3	-69.6	-169.3	115.4	0	0	112.3	T656 Y662 V663 S664 G720 V721 C722 H723	T656-E660 HydrophobicContact CG2-CG 4.35Å; T656-E660 PolarHBondContact O-N 3.3Å; E660-Y662 VanDerWaalsContact C-N 3.34Å; E660-Y662 PolarHBondContact O-N 3.18Å; E660-V663 WeakPolarHBondContact O-CG1 3.46Å; E660-V663 PolarHBondContact O-N 3.34Å; E660-V663 VanDerWaalsContact O-N 3.16Å; E660-S664 WeakPolarHBondContact O-CA 3.18Å; E660-S664 VanDerWaalsContact O-CB 3.3Å; E660-S664 WeakPolarHBondContact O-CB 3.38Å; E660-S664 PolarHBondContact O-N 3.43Å; E660-G720 WeakPolarHBondContact OE1-CA 3.32Å; E660-G720 PolarHBondContact OE1-N 2.97Å; E660-V721 PolarHBondContact OE1-N 3.38Å; E660-V721 VanDerWaalsContact OE1-N 3.07Å; E660-C722 HydrophobicContact CG-CB 4.43Å; E660-C722 WeakPolarHBondContact OE1-CB 3.35Å; E660-C722 PolarHBondContact OE1-N 3.05Å; E660-C722 WeakPolarHBondContact OE2-CB 3.14Å; E660-H723 IonicContact OE2-CE1 3.64Å; E660-H723 PolarHBondContact OE2-CE1 3.16Å; E660-H723 IonicContact OE2-CG 3.58Å; E660-H723 IonicContact OE2-ND1 2.76Å; E660-H723 PolarHBondContact OE2-ND1 3.34Å
661	A	98.7	Very high	98.4	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.008	8%	0.084	C	C	.	.	H	α-helix	trans	-62.2	-42.2	176.6	0	0	0	0	0	111.9	H657 S664 A713 F714 A717	H657-A661 WeakPolarHBondContact O-CB 3.5Å; H657-A661 PolarHBondContact O-N 3.47Å; A661-S664 WeakPolarHBondContact O-CB 3.39Å; A661-A713 HydrophobicContact CB-CB 3.87Å; A661-F714 HydrophobicContact CB-CB 3.96Å; A661-A717 HydrophobicContact CB-CB 4.12Å; A661-A717 WeakPolarHBondContact O-CB 3.18Å
662	Y	98.8	Very high	98.5	Very high	19 Å²	19	18.5 Å²	18.5	8%	0.075	9%	0.09	C	C	.	.	H	α-helix	trans	-65.5	-40.3	174.6	-167.3	-97.1	0	0	0	110.3	A658 E660 D672 A675 L676 R774 E777 I778	A658-Y662 WeakPolarHBondContact O-CB 3.19Å; A658-Y662 PolarHBondContact O-N 3.03Å; E660-Y662 VanDerWaalsContact C-N 3.34Å; E660-Y662 PolarHBondContact O-N 3.18Å; Y662-D672 HydrophobicContact CD2-CB 3.88Å; Y662-D672 HydrophobicContact CE2-CB 3.65Å; Y662-A675 HydrophobicContact CD2-CB 4.31Å; Y662-L676 HydrophobicContact CD2-CD1 4.44Å; Y662-L676 HydrophobicContact CD2-CD2 4.13Å; Y662-L676 HydrophobicContact CD2-CG 3.92Å; Y662-L676 HydrophobicContact CE2-CD1 3.64Å; Y662-L676 HydrophobicContact CE2-CD2 3.9Å; Y662-L676 HydrophobicContact CE2-CG 3.61Å; Y662-R774 HydrophobicContact CD1-CB 4.13Å; Y662-R774 HydrophobicContact CE1-CB 3.97Å; Y662-R774 HydrophobicContact CE1-CG 4.47Å; Y662-R774 WeakPolarHBondContact CE1-O 3.41Å; Y662-R774 PolarHBondContact O-NE 2.93Å; Y662-R774 PolarHBondContact O-NH2 3.38Å; Y662-E777 HydrophobicContact CE1-CB 4.2Å; Y662-E777 PolarHBondContact OH-OE2 3.44Å; Y662-E777 VanDerWaalsContact OH-OE2 3.09Å; Y662-I778 HydrophobicContact CD1-CD1 3.68Å; Y662-I778 HydrophobicContact CD1-CG1 3.66Å; Y662-I778 HydrophobicContact CE1-CD1 4.46Å; Y662-I778 HydrophobicContact CE1-CG1 3.98Å; Y662-I778 HydrophobicContact CG-CD1 4.11Å; Y662-I778 HydrophobicContact CG-CG1 4.21Å
663	V	98.6	Very high	98.5	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	11%	0.112	C	C	.	.	H	α-helix	trans	-82.2	-16.1	-176.6	80	0	0	0	0	114.1	M659 E660 A771 R774 Y775 P846	M659-V663 WeakPolarHBondContact O-CG1 3.43Å; M659-V663 PolarHBondContact O-N 3.42Å; M659-V663 VanDerWaalsContact O-N 3.15Å; E660-V663 WeakPolarHBondContact O-CG1 3.46Å; E660-V663 PolarHBondContact O-N 3.34Å; E660-V663 VanDerWaalsContact O-N 3.16Å; V663-A771 VanDerWaalsContact CG2-CA 3.49Å; V663-A771 HydrophobicContact CG2-CB 3.45Å; V663-A771 VanDerWaalsContact CG2-CB 3.45Å; V663-R774 HydrophobicContact CG2-CB 4.24Å; V663-Y775 HydrophobicContact CB-CD1 4.44Å; V663-Y775 HydrophobicContact CB-CE1 3.76Å; V663-Y775 HydrophobicContact CG1-CE1 3.89Å; V663-Y775 VanDerWaalsContact CG1-OH 3.25Å; V663-Y775 WeakPolarHBondContact CG1-OH 2.97Å; V663-Y775 HydrophobicContact CG2-CD1 4.35Å; V663-Y775 HydrophobicContact CG2-CD2 4.24Å; V663-Y775 HydrophobicContact CG2-CE1 3.89Å; V663-Y775 HydrophobicContact CG2-CE2 3.84Å; V663-P846 HydrophobicContact CG1-CG 4.33Å; V663-P846 HydrophobicContact CG2-CG 4.21Å; V663-P846 WeakPolarHBondContact O-CG 3.37Å
664	S	98.6	Very high	98.6	Very high	4 Å²	4	23.2 Å²	23.2	3%	0.028	12%	0.124	C	C	.	.	S	Bend	trans	-52	154.3	-174.3	176.4	0	0	0	0	114.4	E660 A661 L666 A667 A717 A844	E660-S664 WeakPolarHBondContact O-CA 3.18Å; E660-S664 VanDerWaalsContact O-CB 3.3Å; E660-S664 WeakPolarHBondContact O-CB 3.38Å; E660-S664 PolarHBondContact O-N 3.43Å; A661-S664 WeakPolarHBondContact O-CB 3.39Å; S664-L666 PolarHBondContact O-N 3.09Å; S664-L666 PolarHBondContact OG-N 3.47Å; S664-L666 VanDerWaalsContact OG-N 3.08Å; S664-A667 WeakPolarHBondContact O-CB 3.06Å; S664-A667 PolarHBondContact O-N 3.36Å; S664-A717 VanDerWaalsContact CB-O 3.26Å; S664-A717 WeakPolarHBondContact CB-O 3.19Å; S664-A717 PolarHBondContact OG-O 3.24Å; S664-A844 PolarHBondContact OG-O 3.27Å
665	V	98.4	Very high	98.6	Very high	6 Å²	6	23.2 Å²	23.2	4%	0.036	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-18.3	171.4	-55.2	0	0	0	0	113.9	A667 T761 F763 Y766 A844 P846	V665-A667 VanDerWaalsContact C-N 3.33Å; V665-T761 HydrophobicContact CG1-CG2 4.23Å; V665-T761 HydrophobicContact CG2-CG2 3.91Å; V665-F763 HydrophobicContact CB-CB 4.28Å; V665-F763 HydrophobicContact CG2-CB 4.28Å; V665-F763 HydrophobicContact CG2-CG 4.43Å; V665-F763 VanDerWaalsContact O-CD1 3.28Å; V665-F763 WeakPolarHBondContact O-CD1 3.41Å; V665-Y766 HydrophobicContact CB-CD2 4.12Å; V665-Y766 HydrophobicContact CB-CG 4.13Å; V665-Y766 HydrophobicContact CG1-CD1 4.03Å; V665-Y766 HydrophobicContact CG1-CD2 3.89Å; V665-Y766 HydrophobicContact CG1-CE1 4.34Å; V665-Y766 HydrophobicContact CG1-CE2 4.19Å; V665-Y766 HydrophobicContact CG1-CG 3.81Å; V665-A844 HydrophobicContact CG2-CB 4.44Å; V665-A844 WeakPolarHBondContact CG2-O 3.37Å; V665-A844 PolarHBondContact N-O 3.07Å; V665-A844 VanDerWaalsContact N-O 3.11Å; V665-P846 HydrophobicContact CG1-CB 4.37Å; V665-P846 HydrophobicContact CG1-CG 4.43Å
666	L	98.4	Very high	98.6	Very high	26 Å²	26	24.2 Å²	24.2	14%	0.136	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	7.3	174.9	-54.1	-178.4	0	0	0	112.1	L452 S664 F718 F763 A844	L452-L666 HydrophobicContact CD2-CD2 4.39Å; S664-L666 PolarHBondContact O-N 3.09Å; S664-L666 PolarHBondContact OG-N 3.47Å; S664-L666 VanDerWaalsContact OG-N 3.08Å; L666-F718 HydrophobicContact CD1-CB 4.09Å; L666-F718 HydrophobicContact CD1-CD1 4.08Å; L666-F718 HydrophobicContact CD1-CG 3.99Å; L666-F763 HydrophobicContact CD2-CD1 4.2Å; L666-F763 HydrophobicContact CD2-CD2 3.97Å; L666-F763 HydrophobicContact CD2-CE1 3.7Å; L666-F763 HydrophobicContact CD2-CE2 3.43Å; L666-F763 VanDerWaalsContact CD2-CE2 3.43Å; L666-F763 HydrophobicContact CD2-CG 4.33Å; L666-F763 HydrophobicContact CD2-CZ 3.29Å; L666-A844 HydrophobicContact CD1-CB 4.14Å; L666-A844 HydrophobicContact CG-CB 4.24Å
667	A	98.6	Very high	98.6	Very high	11 Å²	11	28.1 Å²	28.1	9%	0.091	15%	0.148	C	C	.	.			trans	-60.6	143.3	177.1	0	0	0	0	0	111.1	S664 V665	S664-A667 WeakPolarHBondContact O-CB 3.06Å; S664-A667 PolarHBondContact O-N 3.36Å; V665-A667 VanDerWaalsContact C-N 3.33Å
668	S	98.6	Very high	98.6	Very high	10 Å²	10	28 Å²	28	7%	0.07	15%	0.147	C	C	.	.			trans	-143.1	163.3	178.8	65.7	0	0	0	0	110.4	F670 S671 D672	S668-F670 PolarHBondContact O-N 3.18Å; S668-F670 PolarHBondContact OG-N 2.68Å; S668-S671 PolarHBondContact N-OG 2.93Å; S668-S671 PolarHBondContact O-N 2.88Å; S668-S671 PolarHBondContact O-OG 3.45Å; S668-S671 VanDerWaalsContact O-OG 3.06Å; S668-S671 PolarHBondContact OG-N 3.4Å; S668-S671 PolarHBondContact OG-OG 2.96Å; S668-D672 VanDerWaalsContact O-CB 3.27Å; S668-D672 WeakPolarHBondContact O-CB 3.47Å; S668-D672 PolarHBondContact O-N 2.78Å
669	E	98.4	Very high	98.6	Very high	143 Å²	143	28 Å²	28	67%	0.668	15%	0.147	S	C	*	.	H	α-helix	trans	-54.7	-21	173.4	63.5	-80.9	-171.9	0	0	113.6
670	F	98.5	Very high	98.6	Very high	122 Å²	122	31.7 Å²	31.7	54%	0.535	16%	0.163	S	C	.	.	H	α-helix	trans	-80.7	-39.8	175.4	-71.7	-97.3	0	0	0	113.2	H454 S668	H454-F670 HydrophobicContact CB-CB 4.27Å; H454-F670 HydrophobicContact CB-CD1 4.32Å; H454-F670 HydrophobicContact CB-CG 4.44Å; S668-F670 PolarHBondContact O-N 3.18Å; S668-F670 PolarHBondContact OG-N 2.68Å
671	S	98.6	Very high	98.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-82.9	-30.1	179.2	54.5	0	0	0	0	112.8	S668 Q674 A675	S668-S671 PolarHBondContact N-OG 2.93Å; S668-S671 PolarHBondContact O-N 2.88Å; S668-S671 PolarHBondContact O-OG 3.45Å; S668-S671 VanDerWaalsContact O-OG 3.06Å; S668-S671 PolarHBondContact OG-N 3.4Å; S668-S671 PolarHBondContact OG-OG 2.96Å; S671-Q674 PolarHBondContact O-N 3.15Å; S671-A675 PolarHBondContact O-N 3.21Å
672	D	98.7	Very high	98.6	Very high	24 Å²	24	32.4 Å²	32.4	13%	0.128	17%	0.166	C	C	.	.	H	α-helix	trans	-66.3	-46.3	-168.4	-80.8	6.9	0	0	0	113.2	Y662 S668 Q674 A675 L676 R774	Y662-D672 HydrophobicContact CD2-CB 3.88Å; Y662-D672 HydrophobicContact CE2-CB 3.65Å; S668-D672 VanDerWaalsContact O-CB 3.27Å; S668-D672 WeakPolarHBondContact O-CB 3.47Å; S668-D672 PolarHBondContact O-N 2.78Å; D672-Q674 VanDerWaalsContact C-N 3.28Å; D672-Q674 PolarHBondContact O-N 3.32Å; D672-A675 PolarHBondContact O-N 3.33Å; D672-L676 WeakPolarHBondContact O-CG 3.36Å; D672-L676 PolarHBondContact O-N 2.89Å; D672-R774 IonicContact OD1-NH2 3.55Å; D672-R774 PolarHBondContact OD1-NH2 3.01Å; D672-R774 IonicContact OD2-CZ 3.78Å; D672-R774 IonicContact OD2-NH1 3.38Å; D672-R774 PolarHBondContact OD2-NH1 3.3Å; D672-R774 IonicContact OD2-NH2 3.64Å; D672-R774 PolarHBondContact OD2-NH2 3.47Å
673	G	98.5	Very high	98.6	Very high	46 Å²	46	34.6 Å²	34.6	47%	0.474	18%	0.177	S	C	.	.	H	α-helix	trans	-62.9	-36.1	178.6	0	0	0	0	0	112.6	Q677	G673-Q677 WeakPolarHBondContact O-CB 3.49Å; G673-Q677 PolarHBondContact O-N 2.9Å
674	Q	98.7	Very high	98.6	Very high	68 Å²	68	39 Å²	39	32%	0.318	20%	0.197	S	C	.	.	H	α-helix	trans	-68.2	-47.3	177	-62.9	-66.1	0.3	0	0	110.6	S671 D672 L676 Q677 A678 I709 I712 A713	S671-Q674 PolarHBondContact O-N 3.15Å; D672-Q674 VanDerWaalsContact C-N 3.28Å; D672-Q674 PolarHBondContact O-N 3.32Å; Q674-L676 VanDerWaalsContact C-N 3.33Å; Q674-L676 PolarHBondContact O-N 3.29Å; Q674-Q677 PolarHBondContact O-N 3.34Å; Q674-A678 PolarHBondContact O-N 3.06Å; Q674-I709 HydrophobicContact CB-CG2 3.8Å; Q674-I709 WeakPolarHBondContact O-CG2 3.35Å; Q674-I709 VanDerWaalsContact OE1-CG2 3.32Å; Q674-I712 HydrophobicContact CB-CG2 4.36Å; Q674-I712 HydrophobicContact CG-CG2 3.91Å; Q674-A713 HydrophobicContact CB-CB 4.47Å
675	A	98.8	Very high	98.6	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-55.8	-46.4	176.4	0	0	0	0	0	112.1	A658 Y662 S671 D672 A678 L679 A713	A658-A675 HydrophobicContact CB-CB 4.13Å; A658-A675 WeakPolarHBondContact CB-O 3.47Å; Y662-A675 HydrophobicContact CD2-CB 4.31Å; S671-A675 PolarHBondContact O-N 3.21Å; D672-A675 PolarHBondContact O-N 3.33Å; A675-A678 PolarHBondContact O-N 3.28Å; A675-L679 WeakPolarHBondContact O-CG 3.14Å; A675-L679 PolarHBondContact O-N 2.82Å; A675-A713 HydrophobicContact CB-CB 3.91Å
676	L	98.8	Very high	98.6	Very high	22 Å²	22	41.7 Å²	41.7	12%	0.115	21%	0.206	C	C	.	.	H	α-helix	trans	-63.7	-43.2	177.8	-69	176.6	0	0	0	112.6	Y662 D672 Q674 A678 L679 K680 I778 H781	Y662-L676 HydrophobicContact CD2-CD1 4.44Å; Y662-L676 HydrophobicContact CD2-CD2 4.13Å; Y662-L676 HydrophobicContact CD2-CG 3.92Å; Y662-L676 HydrophobicContact CE2-CD1 3.64Å; Y662-L676 HydrophobicContact CE2-CD2 3.9Å; Y662-L676 HydrophobicContact CE2-CG 3.61Å; D672-L676 WeakPolarHBondContact O-CG 3.36Å; D672-L676 PolarHBondContact O-N 2.89Å; Q674-L676 VanDerWaalsContact C-N 3.33Å; Q674-L676 PolarHBondContact O-N 3.29Å; L676-A678 VanDerWaalsContact C-N 3.34Å; L676-A678 PolarHBondContact O-N 2.85Å; L676-L679 PolarHBondContact O-N 3.37Å; L676-K680 WeakPolarHBondContact O-CB 3.49Å; L676-K680 PolarHBondContact O-N 2.86Å; L676-I778 HydrophobicContact CD2-CB 4.47Å; L676-I778 HydrophobicContact CD2-CG1 3.85Å; L676-H781 HydrophobicContact CD2-CB 4.06Å
677	Q	98.8	Very high	98.6	Very high	83 Å²	83	41.5 Å²	41.5	39%	0.388	21%	0.206	S	C	.	.	H	α-helix	trans	-65	-38.3	178.5	-175.1	63	8.4	0	0	112	G673 Q674 L681	G673-Q677 WeakPolarHBondContact O-CB 3.49Å; G673-Q677 PolarHBondContact O-N 2.9Å; Q674-Q677 PolarHBondContact O-N 3.34Å; Q677-L681 HydrophobicContact CG-CD1 4.23Å; Q677-L681 WeakPolarHBondContact O-CD1 3.48Å; Q677-L681 WeakPolarHBondContact O-CG 3.34Å; Q677-L681 PolarHBondContact O-N 3.32Å; Q677-L681 VanDerWaalsContact O-N 3.11Å
678	A	98.7	Very high	98.6	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-51.6	171.9	0	0	0	0	0	111.3	A658 Q674 A675 L676 K680 L681 L682 A706 I709 A710	A658-A678 HydrophobicContact CB-CB 4.26Å; Q674-A678 PolarHBondContact O-N 3.06Å; A675-A678 PolarHBondContact O-N 3.28Å; L676-A678 VanDerWaalsContact C-N 3.34Å; L676-A678 PolarHBondContact O-N 2.85Å; A678-K680 VanDerWaalsContact C-N 3.28Å; A678-K680 PolarHBondContact O-N 2.78Å; A678-L681 PolarHBondContact O-N 2.89Å; A678-L682 WeakPolarHBondContact O-CB 3.32Å; A678-L682 WeakPolarHBondContact O-CD1 3.42Å; A678-L682 VanDerWaalsContact O-CG 3.23Å; A678-L682 WeakPolarHBondContact O-CG 3.36Å; A678-L682 PolarHBondContact O-N 3.33Å; A678-A706 HydrophobicContact CB-CB 4.44Å; A678-A706 VanDerWaalsContact CB-O 3.28Å; A678-A706 WeakPolarHBondContact CB-O 3.48Å; A678-I709 HydrophobicContact CB-CB 4.17Å; A678-I709 HydrophobicContact CB-CG2 3.88Å; A678-A710 HydrophobicContact CB-CB 4.12Å
679	L	98.8	Very high	98.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58	-40.6	179.5	-74.1	166.9	0	0	0	112.3	V655 A658 M659 A675 L676 L682 K683 I778 L782	V655-L679 HydrophobicContact CB-CD2 4.37Å; V655-L679 HydrophobicContact CG1-CD2 3.92Å; A658-L679 HydrophobicContact CB-CD1 4.07Å; A658-L679 HydrophobicContact CB-CD2 4.02Å; A658-L679 HydrophobicContact CB-CG 3.63Å; M659-L679 HydrophobicContact CE-CD1 4.5Å; M659-L679 HydrophobicContact CE-CD2 4.03Å; A675-L679 WeakPolarHBondContact O-CG 3.14Å; A675-L679 PolarHBondContact O-N 2.82Å; L676-L679 PolarHBondContact O-N 3.37Å; L679-L682 PolarHBondContact O-N 2.96Å; L679-K683 WeakPolarHBondContact O-CB 3.21Å; L679-K683 PolarHBondContact O-N 3.33Å; L679-I778 HydrophobicContact CD1-CD1 4.08Å; L679-I778 HydrophobicContact CD1-CG1 4.3Å; L679-I778 HydrophobicContact CD1-CG2 3.82Å; L679-L782 HydrophobicContact CB-CD2 4.03Å
680	K	98.7	Very high	98.6	Very high	79 Å²	79	36.5 Å²	36.5	34%	0.343	18%	0.183	S	C	.	.	H	α-helix	trans	-63.4	-48.5	177.7	-175.6	176.3	177.3	179	0	112	L676 A678 L682 K683 E684 L782	L676-K680 WeakPolarHBondContact O-CB 3.49Å; L676-K680 PolarHBondContact O-N 2.86Å; A678-K680 VanDerWaalsContact C-N 3.28Å; A678-K680 PolarHBondContact O-N 2.78Å; K680-L682 VanDerWaalsContact C-N 3.33Å; K680-L682 PolarHBondContact O-N 3.34Å; K680-K683 PolarHBondContact O-N 3.25Å; K680-E684 WeakPolarHBondContact CE-OE1 3.48Å; K680-E684 WeakPolarHBondContact CG-OE1 3.48Å; K680-E684 WeakPolarHBondContact O-CG 3.33Å; K680-E684 PolarHBondContact O-N 3.25Å; K680-L782 HydrophobicContact CB-CD2 4.07Å
681	L	98.7	Very high	98.6	Very high	16 Å²	16	35 Å²	35	8%	0.084	18%	0.177	C	C	.	.	H	α-helix	trans	-61.8	-41.4	176.8	-73.4	164.9	0	0	0	111.8	Q677 A678 E684 Y685 R702 A706 I709	Q677-L681 HydrophobicContact CG-CD1 4.23Å; Q677-L681 WeakPolarHBondContact O-CD1 3.48Å; Q677-L681 WeakPolarHBondContact O-CG 3.34Å; Q677-L681 PolarHBondContact O-N 3.32Å; Q677-L681 VanDerWaalsContact O-N 3.11Å; A678-L681 PolarHBondContact O-N 2.89Å; L681-E684 PolarHBondContact O-N 2.93Å; L681-Y685 HydrophobicContact CD2-CD2 3.92Å; L681-Y685 HydrophobicContact CD2-CE2 3.82Å; L681-Y685 WeakPolarHBondContact O-CB 3.5Å; L681-Y685 WeakPolarHBondContact O-CD2 3.4Å; L681-Y685 PolarHBondContact O-N 3.13Å; L681-R702 HydrophobicContact CD2-CB 4.22Å; L681-R702 HydrophobicContact CD2-CG 4.37Å; L681-A706 HydrophobicContact CB-CB 3.67Å; L681-A706 HydrophobicContact CD1-CB 4.04Å; L681-I709 HydrophobicContact CD1-CD1 4.19Å
682	L	98.7	Very high	98.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.8	-39.8	177.6	-67.9	164.5	0	0	0	111.2	A654 V655 A678 L679 K680 E684 L686 V703 A706	A654-L682 HydrophobicContact CB-CD1 3.79Å; A654-L682 HydrophobicContact CB-CD2 4.33Å; V655-L682 HydrophobicContact CB-CD1 4.5Å; V655-L682 HydrophobicContact CG2-CB 3.95Å; V655-L682 HydrophobicContact CG2-CD1 3.76Å; V655-L682 HydrophobicContact CG2-CG 4.38Å; A678-L682 WeakPolarHBondContact O-CB 3.32Å; A678-L682 WeakPolarHBondContact O-CD1 3.42Å; A678-L682 VanDerWaalsContact O-CG 3.23Å; A678-L682 WeakPolarHBondContact O-CG 3.36Å; A678-L682 PolarHBondContact O-N 3.33Å; L679-L682 PolarHBondContact O-N 2.96Å; K680-L682 VanDerWaalsContact C-N 3.33Å; K680-L682 PolarHBondContact O-N 3.34Å; L682-E684 PolarHBondContact O-N 3.29Å; L682-L686 WeakPolarHBondContact O-CB 3.28Å; L682-L686 PolarHBondContact O-N 2.77Å; L682-V703 HydrophobicContact CD2-CG1 4.12Å; L682-A706 HydrophobicContact CD2-CB 4.1Å; L682-A706 HydrophobicContact CG-CB 3.9Å
683	K	98.5	Very high	98.4	Very high	66 Å²	66	39.1 Å²	39.1	29%	0.287	20%	0.201	S	C	.	.	H	α-helix	trans	-60.8	-44.3	172.9	174.4	168.7	175.8	-84.7	0	112.7	L679 K680 L782 W801	L679-K683 WeakPolarHBondContact O-CB 3.21Å; L679-K683 PolarHBondContact O-N 3.33Å; K680-K683 PolarHBondContact O-N 3.25Å; K683-L782 HydrophobicContact CB-CD2 4.47Å; K683-L782 HydrophobicContact CD-CB 3.87Å; K683-L782 HydrophobicContact CD-CD1 4.49Å; K683-L782 HydrophobicContact CD-CD2 4.29Å; K683-L782 HydrophobicContact CD-CG 4.43Å; K683-L782 VanDerWaalsContact CE-O 3.24Å; K683-L782 WeakPolarHBondContact CE-O 3.41Å; K683-L782 PolarHBondContact NZ-O 2.94Å; K683-W801 HydrophobicContact CB-CZ2 3.67Å; K683-W801 HydrophobicContact CG-CZ2 4.21Å
684	E	98.4	Very high	98.3	Very high	93 Å²	93	39.9 Å²	39.9	44%	0.435	20%	0.199	S	C	.	.	H	α-helix	trans	-78	-35.3	-173.8	-70.6	173	-170.2	0	0	113	K680 L681 L682	K680-E684 WeakPolarHBondContact CE-OE1 3.48Å; K680-E684 WeakPolarHBondContact CG-OE1 3.48Å; K680-E684 WeakPolarHBondContact O-CG 3.33Å; K680-E684 PolarHBondContact O-N 3.25Å; L681-E684 PolarHBondContact O-N 2.93Å; L682-E684 PolarHBondContact O-N 3.29Å
685	Y	98.7	Very high	98.3	Very high	67 Å²	67	45.2 Å²	45.2	26%	0.263	22%	0.222	S	C	.	.	H	α-helix	trans	-119.4	-18.4	-166.3	-63.2	-71.3	0	0	0	115.2	L681 A688 S689 V698 A699 R702	L681-Y685 HydrophobicContact CD2-CD2 3.92Å; L681-Y685 HydrophobicContact CD2-CE2 3.82Å; L681-Y685 WeakPolarHBondContact O-CB 3.5Å; L681-Y685 WeakPolarHBondContact O-CD2 3.4Å; L681-Y685 PolarHBondContact O-N 3.13Å; Y685-A688 PolarHBondContact O-N 3.46Å; Y685-S689 WeakPolarHBondContact O-CB 3.45Å; Y685-S689 PolarHBondContact O-N 3.37Å; Y685-V698 HydrophobicContact CE1-CG1 4.46Å; Y685-A699 HydrophobicContact CD1-CB 4.12Å; Y685-R702 HydrophobicContact CD1-CB 4.43Å; Y685-R702 HydrophobicContact CD1-CG 4.41Å; Y685-R702 HydrophobicContact CD2-CB 3.6Å; Y685-R702 HydrophobicContact CD2-CG 3.87Å; Y685-R702 HydrophobicContact CE1-CG 4.44Å; Y685-R702 HydrophobicContact CE2-CB 4.16Å; Y685-R702 HydrophobicContact CE2-CG 3.91Å; Y685-R702 HydrophobicContact CG-CB 3.76Å; Y685-R702 HydrophobicContact CG-CG 4.13Å
686	L	98.5	Very high	98.2	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63	-45.5	-178.4	-177.5	59.5	0	0	0	113.4	L682 A688 S689 Y690 V703 L805 L809	L682-L686 WeakPolarHBondContact O-CB 3.28Å; L682-L686 PolarHBondContact O-N 2.77Å; L686-A688 PolarHBondContact O-N 2.87Å; L686-S689 WeakPolarHBondContact O-CB 3.26Å; L686-S689 PolarHBondContact O-N 3.31Å; L686-Y690 PolarHBondContact O-N 3.5Å; L686-V703 HydrophobicContact CB-CG2 4.16Å; L686-V703 HydrophobicContact CD1-CG1 3.92Å; L686-V703 HydrophobicContact CD1-CG2 4.19Å; L686-L805 HydrophobicContact CD2-CD1 4.38Å; L686-L805 HydrophobicContact CD2-CD2 4.35Å; L686-L809 HydrophobicContact CD2-CD1 3.77Å; L686-L809 HydrophobicContact CG-CD1 4.02Å
687	P	98.4	Very high	98.2	Very high	21 Å²	21	47.7 Å²	47.7	14%	0.136	24%	0.237	C	C	.	.	H	α-helix	trans	-59.2	-46.7	176.6	-26.7	36.7	0	0	0	113.1	S689 Y690 H691 L805	P687-S689 VanDerWaalsContact C-N 3.3Å; P687-S689 PolarHBondContact O-N 3.38Å; P687-Y690 PolarHBondContact O-N 3.03Å; P687-Y690 VanDerWaalsContact O-N 3.12Å; P687-H691 PolarHBondContact O-CD2 3.39Å; P687-H691 VanDerWaalsContact O-CD2 3.24Å; P687-H691 PolarHBondContact O-N 2.87Å; P687-L805 HydrophobicContact CG-CD1 3.81Å
688	A	98.2	Very high	98.1	Very high	21 Å²	21	47.5 Å²	47.5	17%	0.174	24%	0.241	C	C	.	.	H	α-helix	trans	-59.9	-42.4	177.1	0	0	0	0	0	111.3	Y685 L686 Y690 E692 A699	Y685-A688 PolarHBondContact O-N 3.46Å; L686-A688 PolarHBondContact O-N 2.87Å; A688-Y690 PolarHBondContact O-N 2.96Å; A688-E692 WeakPolarHBondContact CB-OE1 3.42Å; A688-E692 VanDerWaalsContact O-CB 3.22Å; A688-E692 WeakPolarHBondContact O-CB 3.35Å; A688-E692 PolarHBondContact O-N 3.41Å; A688-A699 HydrophobicContact CB-CB 3.8Å
689	S	98.2	Very high	98.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-57.5	-51.2	172.9	-150.6	0	0	0	0	110.5	Y685 L686 P687 H691 G693 R700	Y685-S689 WeakPolarHBondContact O-CB 3.45Å; Y685-S689 PolarHBondContact O-N 3.37Å; L686-S689 WeakPolarHBondContact O-CB 3.26Å; L686-S689 PolarHBondContact O-N 3.31Å; P687-S689 VanDerWaalsContact C-N 3.3Å; P687-S689 PolarHBondContact O-N 3.38Å; S689-H691 PolarHBondContact O-N 2.71Å; S689-G693 PolarHBondContact O-N 2.97Å; S689-G693 VanDerWaalsContact O-N 3.11Å; S689-R700 PolarHBondContact O-NH1 3.44Å; S689-R700 PolarHBondContact O-NH2 3.39Å; S689-R700 WeakPolarHBondContact OG-CA 3.41Å; S689-R700 WeakPolarHBondContact OG-CD 3.42Å; S689-R700 PolarHBondContact OG-NE 3.37Å; S689-R700 PolarHBondContact OG-NH1 3.14Å; S689-R700 PolarHBondContact OG-NH2 3.12Å
690	Y	98.3	Very high	98.1	Very high	39 Å²	39	47.7 Å²	47.7	15%	0.153	24%	0.242	C	C	.	.	H	α-helix	trans	-62.3	-46.2	-178.8	177.6	-99.8	0	0	0	114	K644 A648 L686 P687 A688 E808 L809	K644-Y690 HydrophobicContact CB-CD2 3.99Å; K644-Y690 HydrophobicContact CB-CE2 3.57Å; K644-Y690 HydrophobicContact CD-CE1 4.4Å; K644-Y690 HydrophobicContact CD-CE2 4.18Å; K644-Y690 WeakPolarHBondContact CE-O 3.42Å; K644-Y690 HydrophobicContact CG-CD2 4.34Å; K644-Y690 HydrophobicContact CG-CE2 4.19Å; K644-Y690 VanDerWaalsContact O-CD2 3.31Å; K644-Y690 WeakPolarHBondContact O-CD2 3.38Å; K644-Y690 WeakPolarHBondContact O-CE2 3.09Å; A648-Y690 HydrophobicContact CB-CD2 3.98Å; A648-Y690 HydrophobicContact CB-CE2 3.99Å; L686-Y690 PolarHBondContact O-N 3.5Å; P687-Y690 PolarHBondContact O-N 3.03Å; P687-Y690 VanDerWaalsContact O-N 3.12Å; A688-Y690 PolarHBondContact O-N 2.96Å; Y690-E808 WeakPolarHBondContact CE1-O 3.3Å; Y690-L809 HydrophobicContact CD1-CD2 3.74Å; Y690-L809 HydrophobicContact CD2-CD2 3.81Å; Y690-L809 HydrophobicContact CG-CD2 3.33Å; Y690-L809 PolarHBondContact OH-O 3.3Å
691	H	98.1	Very high	98	Very high	89 Å²	89	45.4 Å²	45.4	41%	0.412	23%	0.232	S	C	.	.	H	α-helix	trans	-78	-43.9	-175.2	-72.1	-66.4	0	0	0	113.5	P687 S689 E808	P687-H691 PolarHBondContact O-CD2 3.39Å; P687-H691 VanDerWaalsContact O-CD2 3.24Å; P687-H691 PolarHBondContact O-N 2.87Å; S689-H691 PolarHBondContact O-N 2.71Å; H691-E808 IonicContact CD2-OE1 3.55Å; H691-E808 WeakPolarHBondContact NE2-CG 3.44Å; H691-E808 PolarHBondContact NE2-O 2.9Å; H691-E808 IonicContact NE2-OE1 3.41Å; H691-E808 PolarHBondContact NE2-OE1 3.3Å
692	E	98.2	Very high	98	Very high	89 Å²	89	48.3 Å²	48.3	42%	0.416	24%	0.242	S	C	.	.	H	α-helix	trans	-89.4	-20.8	-171.3	-57.5	-177.9	-108.1	0	0	112.9	A688 K695 N696	A688-E692 WeakPolarHBondContact CB-OE1 3.42Å; A688-E692 VanDerWaalsContact O-CB 3.22Å; A688-E692 WeakPolarHBondContact O-CB 3.35Å; A688-E692 PolarHBondContact O-N 3.41Å; E692-K695 HydrophobicContact CB-CB 4.44Å; E692-K695 WeakPolarHBondContact O-CB 3.36Å; E692-K695 WeakPolarHBondContact O-CG 3.48Å; E692-K695 PolarHBondContact O-N 2.88Å; E692-N696 HydrophobicContact CB-CB 3.72Å; E692-N696 HydrophobicContact CG-CB 4.34Å; E692-N696 PolarHBondContact OE1-ND2 3.07Å
693	G	96.3	Very high	98	Very high	22 Å²	22	48.4 Å²	48.4	23%	0.227	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	73	-144.2	176.5	0	0	0	0	0	112	S689 K695 N696 R700	S689-G693 PolarHBondContact O-N 2.97Å; S689-G693 VanDerWaalsContact O-N 3.11Å; G693-K695 PolarHBondContact O-N 3.29Å; G693-N696 PolarHBondContact O-N 3.47Å; G693-R700 PolarHBondContact O-NH2 3.11Å
694	S	96.7	Very high	98	Very high	62 Å²	62	45.3 Å²	45.3	43%	0.434	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-63.2	-13.1	169.5	47.4	0	0	0	0	113.8	M640 N696 P697	M640-S694 WeakPolarHBondContact O-CB 3.42Å; S694-N696 PolarHBondContact O-N 2.99Å; S694-P697 WeakPolarHBondContact O-CD 3.49Å
695	K	97.4	Very high	98	Very high	181 Å²	181	42.1 Å²	42.1	79%	0.787	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-68.6	-22.6	177.8	-55.3	-179.9	179.6	-177.7	0	112.7	E692 G693 P697	E692-K695 HydrophobicContact CB-CB 4.44Å; E692-K695 WeakPolarHBondContact O-CB 3.36Å; E692-K695 WeakPolarHBondContact O-CG 3.48Å; E692-K695 PolarHBondContact O-N 2.88Å; G693-K695 PolarHBondContact O-N 3.29Å; K695-P697 VanDerWaalsContact C-CD 3.47Å; K695-P697 WeakPolarHBondContact O-CD 3.41Å
696	N	97.7	Very high	98	Very high	35 Å²	35	38.9 Å²	38.9	19%	0.187	21%	0.205	C	C	.	.			trans	-117.9	76.3	172.4	-165.6	-22.7	0	0	0	110.4	E692 G693 S694 V698 A699 R700	E692-N696 HydrophobicContact CB-CB 3.72Å; E692-N696 HydrophobicContact CG-CB 4.34Å; E692-N696 PolarHBondContact OE1-ND2 3.07Å; G693-N696 PolarHBondContact O-N 3.47Å; S694-N696 PolarHBondContact O-N 2.99Å; N696-V698 PolarHBondContact O-N 3.11Å; N696-A699 HydrophobicContact CB-CB 4.16Å; N696-A699 PolarHBondContact O-N 3.26Å; N696-A699 WeakPolarHBondContact OD1-CB 3.48Å; N696-A699 PolarHBondContact OD1-N 3.21Å; N696-A699 VanDerWaalsContact OD1-N 3.08Å; N696-R700 PolarHBondContact O-N 3.07Å; N696-R700 VanDerWaalsContact O-N 3.16Å
697	P	97.5	Very high	98	Very high	38 Å²	38	39 Å²	39	25%	0.247	21%	0.205	C	C	.	.	H	α-helix	trans	-66	-26.2	-176.6	27.5	-35.2	0	0	0	112.4	M640 S694 K695 R700 E701	M640-P697 HydrophobicContact CE-CB 4.01Å; M640-P697 HydrophobicContact SD-CB 3.73Å; S694-P697 WeakPolarHBondContact O-CD 3.49Å; K695-P697 VanDerWaalsContact C-CD 3.47Å; K695-P697 WeakPolarHBondContact O-CD 3.41Å; P697-R700 PolarHBondContact O-N 3.03Å; P697-E701 WeakPolarHBondContact O-CB 3.43Å; P697-E701 PolarHBondContact O-N 3.46Å
698	V	98.4	Very high	98	Very high	79 Å²	79	38.2 Å²	38.2	48%	0.479	20%	0.2	S	C	.	.	H	α-helix	trans	-62.4	-49.4	174.8	177.8	0	0	0	0	109.8	Y685 N696 R700 E701 R702	Y685-V698 HydrophobicContact CE1-CG1 4.46Å; N696-V698 PolarHBondContact O-N 3.11Å; V698-R700 PolarHBondContact O-N 2.69Å; V698-E701 PolarHBondContact O-N 2.99Å; V698-R702 HydrophobicContact CG1-CG 4.42Å; V698-R702 WeakPolarHBondContact O-CB 3.22Å; V698-R702 VanDerWaalsContact O-CG 3.25Å; V698-R702 WeakPolarHBondContact O-CG 3.45Å; V698-R702 PolarHBondContact O-N 3.06Å
699	A	98.1	Very high	98	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-61.4	-44.6	177.6	0	0	0	0	0	111.7	Y685 A688 N696 E701 R702 V703	Y685-A699 HydrophobicContact CD1-CB 4.12Å; A688-A699 HydrophobicContact CB-CB 3.8Å; N696-A699 HydrophobicContact CB-CB 4.16Å; N696-A699 PolarHBondContact O-N 3.26Å; N696-A699 WeakPolarHBondContact OD1-CB 3.48Å; N696-A699 PolarHBondContact OD1-N 3.21Å; N696-A699 VanDerWaalsContact OD1-N 3.08Å; A699-E701 PolarHBondContact O-N 3.38Å; A699-R702 PolarHBondContact O-N 2.73Å; A699-V703 VanDerWaalsContact O-CG2 3.3Å; A699-V703 WeakPolarHBondContact O-CG2 3.21Å; A699-V703 PolarHBondContact O-N 2.92Å
700	R	97.7	Very high	98.1	Very high	5 Å²	5	38.3 Å²	38.3	2%	0.019	20%	0.198	C	C	.	.	H	α-helix	trans	-58	-46.1	176.7	-167.9	71.1	59.5	-157.9	-19.1	113	V639 M640 C647 S689 G693 N696 P697 V698 H704	V639-R700 HydrophobicContact CB-CG 4.25Å; V639-R700 HydrophobicContact CG2-CG 3.57Å; V639-R700 VanDerWaalsContact O-CD 3.3Å; V639-R700 WeakPolarHBondContact O-CD 3.45Å; M640-R700 HydrophobicContact CE-CB 3.89Å; M640-R700 HydrophobicContact CE-CG 3.97Å; M640-R700 HydrophobicContact SD-CB 3.93Å; M640-R700 HydrophobicContact SD-CG 3.94Å; C647-R700 PolarHBondContact SG-NH1 3.38Å; S689-R700 PolarHBondContact O-NH1 3.44Å; S689-R700 PolarHBondContact O-NH2 3.39Å; S689-R700 WeakPolarHBondContact OG-CA 3.41Å; S689-R700 WeakPolarHBondContact OG-CD 3.42Å; S689-R700 PolarHBondContact OG-NE 3.37Å; S689-R700 PolarHBondContact OG-NH1 3.14Å; S689-R700 PolarHBondContact OG-NH2 3.12Å; G693-R700 PolarHBondContact O-NH2 3.11Å; N696-R700 PolarHBondContact O-N 3.07Å; N696-R700 VanDerWaalsContact O-N 3.16Å; P697-R700 PolarHBondContact O-N 3.03Å; V698-R700 PolarHBondContact O-N 2.69Å; R700-H704 WeakPolarHBondContact O-CB 3.47Å; R700-H704 PolarHBondContact O-N 2.8Å; R700-H704 VanDerWaalsContact O-N 3.08Å
701	E	98.4	Very high	98	Very high	30 Å²	30	36.5 Å²	36.5	14%	0.14	19%	0.19	C	C	.	.	H	α-helix	trans	-64.5	-43.9	178.3	178.5	-178.6	149.3	0	0	111.9	R463 R464 A636 P697 V698 A699 V703 H704 S705	R463-E701 WeakPolarHBondContact CD-OE1 3.31Å; R463-E701 IonicContact CZ-OE1 3.61Å; R463-E701 IonicContact NE-OE1 3.81Å; R463-E701 IonicContact NH1-OE1 2.69Å; R463-E701 PolarHBondContact NH1-OE1 3.36Å; R464-E701 WeakPolarHBondContact CD-OE2 3.23Å; R464-E701 WeakPolarHBondContact CG-OE2 3.47Å; A636-E701 HydrophobicContact CB-CB 3.69Å; A636-E701 HydrophobicContact CB-CG 3.66Å; P697-E701 WeakPolarHBondContact O-CB 3.43Å; P697-E701 PolarHBondContact O-N 3.46Å; V698-E701 PolarHBondContact O-N 2.99Å; A699-E701 PolarHBondContact O-N 3.38Å; E701-V703 PolarHBondContact O-N 3.38Å; E701-H704 PolarHBondContact O-N 3.22Å; E701-S705 PolarHBondContact O-N 2.9Å
702	R	98.3	Very high	98	Very high	77 Å²	77	33.1 Å²	33.1	29%	0.291	18%	0.175	S	C	.	.	H	α-helix	trans	-63.7	-41.6	179.9	-69.4	-63.8	-175.9	-122.4	0.6	112.1	L681 Y685 V698 A699 S705 A706	L681-R702 HydrophobicContact CD2-CB 4.22Å; L681-R702 HydrophobicContact CD2-CG 4.37Å; Y685-R702 HydrophobicContact CD1-CB 4.43Å; Y685-R702 HydrophobicContact CD1-CG 4.41Å; Y685-R702 HydrophobicContact CD2-CB 3.6Å; Y685-R702 HydrophobicContact CD2-CG 3.87Å; Y685-R702 HydrophobicContact CE1-CG 4.44Å; Y685-R702 HydrophobicContact CE2-CB 4.16Å; Y685-R702 HydrophobicContact CE2-CG 3.91Å; Y685-R702 HydrophobicContact CG-CB 3.76Å; Y685-R702 HydrophobicContact CG-CG 4.13Å; V698-R702 HydrophobicContact CG1-CG 4.42Å; V698-R702 WeakPolarHBondContact O-CB 3.22Å; V698-R702 VanDerWaalsContact O-CG 3.25Å; V698-R702 WeakPolarHBondContact O-CG 3.45Å; V698-R702 PolarHBondContact O-N 3.06Å; A699-R702 PolarHBondContact O-N 2.73Å; R702-S705 PolarHBondContact O-N 3.23Å; R702-A706 VanDerWaalsContact O-CB 3.25Å; R702-A706 WeakPolarHBondContact O-CB 3.37Å; R702-A706 PolarHBondContact O-N 2.84Å
703	V	98.5	Very high	98.1	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.012	16%	0.155	C	C	.	.	H	α-helix	trans	-63.2	-43.1	174.9	172	0	0	0	0	111.1	L682 L686 A699 E701 A706 A707	L682-V703 HydrophobicContact CD2-CG1 4.12Å; L686-V703 HydrophobicContact CB-CG2 4.16Å; L686-V703 HydrophobicContact CD1-CG1 3.92Å; L686-V703 HydrophobicContact CD1-CG2 4.19Å; A699-V703 VanDerWaalsContact O-CG2 3.3Å; A699-V703 WeakPolarHBondContact O-CG2 3.21Å; A699-V703 PolarHBondContact O-N 2.92Å; E701-V703 PolarHBondContact O-N 3.38Å; V703-A706 PolarHBondContact O-N 3.42Å; V703-A707 PolarHBondContact O-N 3.07Å
704	H	98.4	Very high	98.1	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-62.3	-46.3	178.4	-163.4	47.9	0	0	0	111.9	T596 S599 V634 V639 R700 E701 A706 A707 T708	T596-H704 PolarHBondContact O-NE2 2.9Å; S599-H704 WeakPolarHBondContact OG-CA 3.41Å; S599-H704 PolarHBondContact OG-ND1 2.82Å; V634-H704 WeakPolarHBondContact CG1-CD2 3.16Å; V634-H704 WeakPolarHBondContact CG1-NE2 3.29Å; V639-H704 HydrophobicContact CG2-CB 4.1Å; R700-H704 WeakPolarHBondContact O-CB 3.47Å; R700-H704 PolarHBondContact O-N 2.8Å; R700-H704 VanDerWaalsContact O-N 3.08Å; E701-H704 PolarHBondContact O-N 3.22Å; H704-A706 PolarHBondContact O-N 2.89Å; H704-A707 PolarHBondContact O-N 3.35Å; H704-T708 PolarHBondContact O-N 3.4Å; H704-T708 PolarHBondContact O-OG1 3.4Å
705	S	98.5	Very high	98.2	Very high	26 Å²	26	25.1 Å²	25.1	18%	0.182	13%	0.125	C	C	.	.	H	α-helix	trans	-64.1	-38.8	174.5	-173.2	0	0	0	0	112.5	E701 R702 T708 I709	E701-S705 PolarHBondContact O-N 2.9Å; R702-S705 PolarHBondContact O-N 3.23Å; S705-T708 PolarHBondContact O-N 3.02Å; S705-I709 WeakPolarHBondContact O-CD1 3.39Å; S705-I709 WeakPolarHBondContact O-CG1 3.35Å; S705-I709 PolarHBondContact O-N 3.37Å
706	A	98.6	Very high	98.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.5	-38.2	179.4	0	0	0	0	0	112.3	A678 L681 L682 R702 V703 H704 I709 A710	A678-A706 HydrophobicContact CB-CB 4.44Å; A678-A706 VanDerWaalsContact CB-O 3.28Å; A678-A706 WeakPolarHBondContact CB-O 3.48Å; L681-A706 HydrophobicContact CB-CB 3.67Å; L681-A706 HydrophobicContact CD1-CB 4.04Å; L682-A706 HydrophobicContact CD2-CB 4.1Å; L682-A706 HydrophobicContact CG-CB 3.9Å; R702-A706 VanDerWaalsContact O-CB 3.25Å; R702-A706 WeakPolarHBondContact O-CB 3.37Å; R702-A706 PolarHBondContact O-N 2.84Å; V703-A706 PolarHBondContact O-N 3.42Å; H704-A706 PolarHBondContact O-N 2.89Å; A706-I709 PolarHBondContact O-N 2.88Å; A706-A710 PolarHBondContact O-N 3.12Å
707	A	98.4	Very high	98.3	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.008	8%	0.08	C	C	.	.	H	α-helix	trans	-61.5	-45	174.9	0	0	0	0	0	112.1	S599 A654 V703 H704 I709 A710 G711	S599-A707 WeakPolarHBondContact O-CB 3.22Å; A654-A707 HydrophobicContact CB-CB 3.85Å; V703-A707 PolarHBondContact O-N 3.07Å; H704-A707 PolarHBondContact O-N 3.35Å; A707-I709 VanDerWaalsContact C-N 3.34Å; A707-I709 PolarHBondContact O-N 3.48Å; A707-A710 WeakPolarHBondContact O-CB 3.21Å; A707-A710 PolarHBondContact O-N 2.95Å; A707-G711 PolarHBondContact O-N 3.31Å
708	T	98.5	Very high	98.3	Very high	6 Å²	6	13.5 Å²	13.5	4%	0.037	7%	0.069	C	C	.	.	H	α-helix	trans	-63.8	-39	173.5	-51.4	0	0	0	0	112	E604 V605 V634 H704 S705 A710 G711 I712	E604-T708 HydrophobicContact CG-CG2 4.14Å; E604-T708 WeakPolarHBondContact OE1-CB 3.07Å; E604-T708 WeakPolarHBondContact OE1-CG2 3.49Å; E604-T708 PolarHBondContact OE1-OG1 3.34Å; V605-T708 HydrophobicContact CG1-CG2 3.83Å; V605-T708 HydrophobicContact CG2-CG2 4.14Å; V634-T708 WeakPolarHBondContact CG1-OG1 3.47Å; V634-T708 HydrophobicContact CG2-CG2 3.93Å; H704-T708 PolarHBondContact O-N 3.4Å; H704-T708 PolarHBondContact O-OG1 3.4Å; S705-T708 PolarHBondContact O-N 3.02Å; T708-A710 VanDerWaalsContact C-N 3.3Å; T708-A710 PolarHBondContact O-N 3.45Å; T708-G711 CarbonylContact O-C 3.51Å; T708-G711 WeakPolarHBondContact O-CA 3.49Å; T708-G711 PolarHBondContact O-N 3.48Å; T708-I712 PolarHBondContact O-N 2.94Å
709	I	98.6	Very high	98.2	Very high	23 Å²	23	10 Å²	10	12%	0.118	5%	0.048	C	C	.	.	H	α-helix	trans	-62.2	-39.2	176.6	-70.8	165	0	0	0	110.9	Q674 A678 L681 S705 A706 A707 G711 I712 A713	Q674-I709 HydrophobicContact CB-CG2 3.8Å; Q674-I709 WeakPolarHBondContact O-CG2 3.35Å; Q674-I709 VanDerWaalsContact OE1-CG2 3.32Å; A678-I709 HydrophobicContact CB-CB 4.17Å; A678-I709 HydrophobicContact CB-CG2 3.88Å; L681-I709 HydrophobicContact CD1-CD1 4.19Å; S705-I709 WeakPolarHBondContact O-CD1 3.39Å; S705-I709 WeakPolarHBondContact O-CG1 3.35Å; S705-I709 PolarHBondContact O-N 3.37Å; A706-I709 PolarHBondContact O-N 2.88Å; A707-I709 VanDerWaalsContact C-N 3.34Å; A707-I709 PolarHBondContact O-N 3.48Å; I709-G711 VanDerWaalsContact C-N 3.27Å; I709-G711 PolarHBondContact O-N 2.89Å; I709-I712 WeakPolarHBondContact O-CB 3.3Å; I709-I712 PolarHBondContact O-N 3.44Å; I709-A713 PolarHBondContact O-N 2.88Å
710	A	98.5	Very high	98.2	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-60.8	-41.1	170.9	0	0	0	0	0	110.6	H657 A658 A678 A706 A707 T708 I712 A713 F714	H657-A710 HydrophobicContact CB-CB 3.86Å; A658-A710 HydrophobicContact CB-CB 4.07Å; A678-A710 HydrophobicContact CB-CB 4.12Å; A706-A710 PolarHBondContact O-N 3.12Å; A707-A710 WeakPolarHBondContact O-CB 3.21Å; A707-A710 PolarHBondContact O-N 2.95Å; T708-A710 VanDerWaalsContact C-N 3.3Å; T708-A710 PolarHBondContact O-N 3.45Å; A710-I712 PolarHBondContact O-N 2.82Å; A710-A713 WeakPolarHBondContact O-CA 3.22Å; A710-A713 WeakPolarHBondContact O-CB 3.35Å; A710-A713 PolarHBondContact O-N 3.28Å; A710-F714 WeakPolarHBondContact O-CD1 3.21Å; A710-F714 PolarHBondContact O-N 3.38Å
711	G	97.6	Very high	98.2	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-47.7	-50.3	167.9	0	0	0	0	0	113.9	V605 T606 A707 T708 I709 A713 F714 A715	V605-G711 VanDerWaalsContact CG2-C 3.49Å; T606-G711 WeakPolarHBondContact CG2-O 3.37Å; A707-G711 PolarHBondContact O-N 3.31Å; T708-G711 CarbonylContact O-C 3.51Å; T708-G711 WeakPolarHBondContact O-CA 3.49Å; T708-G711 PolarHBondContact O-N 3.48Å; I709-G711 VanDerWaalsContact C-N 3.27Å; I709-G711 PolarHBondContact O-N 2.89Å; G711-A713 VanDerWaalsContact C-N 3.25Å; G711-A713 PolarHBondContact O-N 3.46Å; G711-F714 VanDerWaalsContact CA-CE1 3.42Å; G711-F714 PolarHBondContact O-N 2.78Å; G711-A715 WeakPolarHBondContact O-CB 3.42Å; G711-A715 PolarHBondContact O-N 3.03Å
712	I	98.4	Very high	98.2	Very high	18 Å²	18	8.5 Å²	8.5	9%	0.092	4%	0.041	C	C	.	.	H	α-helix	trans	-58.4	-38.5	176.9	-68.1	170.7	0	0	0	111.5	L456 I460 V605 Q674 T708 I709 A710 N716	L456-I712 HydrophobicContact CD1-CD1 4.46Å; L456-I712 HydrophobicContact CD1-CG1 4.15Å; L456-I712 HydrophobicContact CD1-CG2 3.9Å; L456-I712 HydrophobicContact CD2-CB 4.17Å; L456-I712 HydrophobicContact CD2-CG1 3.99Å; L456-I712 HydrophobicContact CD2-CG2 4.02Å; I460-I712 HydrophobicContact CD1-CD1 4.48Å; V605-I712 HydrophobicContact CG2-CG1 4.34Å; Q674-I712 HydrophobicContact CB-CG2 4.36Å; Q674-I712 HydrophobicContact CG-CG2 3.91Å; T708-I712 PolarHBondContact O-N 2.94Å; I709-I712 WeakPolarHBondContact O-CB 3.3Å; I709-I712 PolarHBondContact O-N 3.44Å; A710-I712 PolarHBondContact O-N 2.82Å; I712-N716 PolarHBondContact O-ND2 3.22Å
713	A	98.6	Very high	98.1	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-69.2	-59	178.2	0	0	0	0	0	111.5	A661 Q674 A675 I709 A710 G711 A715 N716 A717	A661-A713 HydrophobicContact CB-CB 3.87Å; Q674-A713 HydrophobicContact CB-CB 4.47Å; A675-A713 HydrophobicContact CB-CB 3.91Å; I709-A713 PolarHBondContact O-N 2.88Å; A710-A713 WeakPolarHBondContact O-CA 3.22Å; A710-A713 WeakPolarHBondContact O-CB 3.35Å; A710-A713 PolarHBondContact O-N 3.28Å; G711-A713 VanDerWaalsContact C-N 3.25Å; G711-A713 PolarHBondContact O-N 3.46Å; A713-A715 VanDerWaalsContact C-N 3.29Å; A713-A715 PolarHBondContact O-N 3.47Å; A713-N716 PolarHBondContact O-N 3.3Å; A713-N716 VanDerWaalsContact O-N 3.12Å; A713-A717 WeakPolarHBondContact O-CB 3.05Å; A713-A717 PolarHBondContact O-N 2.89Å
714	F	98.2	Very high	98	Very high	6 Å²	6	4.8 Å²	4.8	3%	0.026	3%	0.027	C	C	.	.	H	α-helix	trans	-74.7	-18.2	-174.5	84.3	-101.1	0	0	0	113.9	T601 T606 F608 H657 A661 A710 G711 N716 F718 L719	T601-F714 WeakPolarHBondContact O-CZ 3.25Å; T606-F714 HydrophobicContact CG2-CD1 4.35Å; T606-F714 HydrophobicContact CG2-CD2 3.96Å; T606-F714 HydrophobicContact CG2-CE1 3.8Å; T606-F714 HydrophobicContact CG2-CE2 3.35Å; T606-F714 HydrophobicContact CG2-CG 4.42Å; T606-F714 HydrophobicContact CG2-CZ 3.26Å; F608-F714 HydrophobicContact CD2-CD2 4.15Å; F608-F714 AromaticContact CD2-CE2 3.93Å; F608-F714 HydrophobicContact CD2-CE2 3.93Å; F608-F714 HydrophobicContact CE2-CD2 4.16Å; F608-F714 HydrophobicContact CE2-CE2 4.39Å; H657-F714 HydrophobicContact CB-CD1 3.82Å; H657-F714 HydrophobicContact CB-CE1 4.18Å; H657-F714 AromaticContact CD2-CD1 3.97Å; H657-F714 AromaticContact CD2-CE1 3.82Å; H657-F714 AromaticContact CE1-CE1 3.78Å; H657-F714 AromaticContact CG-CD1 3.77Å; H657-F714 AromaticContact CG-CE1 3.67Å; H657-F714 AromaticContact ND1-CE1 3.63Å; H657-F714 AromaticContact NE2-CE1 3.86Å; H657-F714 AromaticContact NE2-CZ 3.91Å; A661-F714 HydrophobicContact CB-CB 3.96Å; A710-F714 WeakPolarHBondContact O-CD1 3.21Å; A710-F714 PolarHBondContact O-N 3.38Å; G711-F714 VanDerWaalsContact CA-CE1 3.42Å; G711-F714 PolarHBondContact O-N 2.78Å; F714-N716 PolarHBondContact O-N 3.21Å; F714-N716 VanDerWaalsContact O-N 3.13Å; F714-F718 WeakPolarHBondContact O-CA 3.31Å; F714-F718 PolarHBondContact O-N 3.33Å; F714-L719 HydrophobicContact CB-CD2 3.31Å; F714-L719 HydrophobicContact CB-CG 3.96Å; F714-L719 HydrophobicContact CD1-CD2 4.22Å; F714-L719 HydrophobicContact CD2-CD1 3.82Å; F714-L719 HydrophobicContact CD2-CD2 3.81Å; F714-L719 HydrophobicContact CD2-CG 3.68Å; F714-L719 HydrophobicContact CE2-CD1 3.99Å; F714-L719 HydrophobicContact CE2-CG 4.36Å; F714-L719 HydrophobicContact CG-CD1 4.36Å; F714-L719 HydrophobicContact CG-CD2 3.57Å; F714-L719 HydrophobicContact CG-CG 3.99Å
715	A	97.8	Very high	98	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-56.1	-28	168.9	0	0	0	0	0	111.6	L456 T606 Y625 G711 A713	L456-A715 HydrophobicContact CD2-CB 4.49Å; T606-A715 HydrophobicContact CG2-CB 3.78Å; Y625-A715 WeakPolarHBondContact CE1-O 3.37Å; Y625-A715 PolarHBondContact OH-O 3.49Å; G711-A715 WeakPolarHBondContact O-CB 3.42Å; G711-A715 PolarHBondContact O-N 3.03Å; A713-A715 VanDerWaalsContact C-N 3.29Å; A713-A715 PolarHBondContact O-N 3.47Å
716	N	98.2	Very high	97.8	Very high	5 Å²	5	3.6 Å²	3.6	3%	0.027	2%	0.019	C	C	.	.	H	α-helix	trans	-113.2	-41.5	-175.8	-60.3	-72.1	0	0	0	112.6	W453 H454 K455 I712 A713 F714 F718	W453-N716 PolarHBondContact O-OD1 3.47Å; H454-N716 WeakPolarHBondContact CA-OD1 3.45Å; H454-N716 PolarHBondContact ND1-ND2 3Å; K455-N716 PolarHBondContact N-OD1 2.86Å; K455-N716 PolarHBondContact O-OD1 3.41Å; I712-N716 PolarHBondContact O-ND2 3.22Å; A713-N716 PolarHBondContact O-N 3.3Å; A713-N716 VanDerWaalsContact O-N 3.12Å; F714-N716 PolarHBondContact O-N 3.21Å; F714-N716 VanDerWaalsContact O-N 3.13Å; N716-F718 VanDerWaalsContact C-N 3.32Å
717	A	98.3	Very high	97.5	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-84.6	-5.9	178.9	0	0	0	0	0	113.5	A661 S664 A713	A661-A717 HydrophobicContact CB-CB 4.12Å; A661-A717 WeakPolarHBondContact O-CB 3.18Å; S664-A717 VanDerWaalsContact CB-O 3.26Å; S664-A717 WeakPolarHBondContact CB-O 3.19Å; S664-A717 PolarHBondContact OG-O 3.24Å; A713-A717 WeakPolarHBondContact O-CB 3.05Å; A713-A717 PolarHBondContact O-N 2.89Å
718	F	97.6	Very high	97.2	Very high	5 Å²	5	4.8 Å²	4.8	2%	0.022	2%	0.024	C	C	.	.			trans	57.6	177.2	-173.5	-77.4	42.7	0	0	0	112	F573 I576 F608 L666 F714 N716 A844	F573-F718 HydrophobicContact CE2-CE2 4.14Å; F573-F718 HydrophobicContact CZ-CE2 4.13Å; F573-F718 HydrophobicContact CZ-CZ 4.47Å; I576-F718 HydrophobicContact CB-CZ 4.27Å; I576-F718 HydrophobicContact CD1-CE1 4.35Å; I576-F718 HydrophobicContact CD1-CZ 3.66Å; I576-F718 HydrophobicContact CG2-CZ 4.44Å; F608-F718 HydrophobicContact CE1-CD2 4.45Å; F608-F718 HydrophobicContact CE1-CE2 4.45Å; F608-F718 HydrophobicContact CE2-CD1 4.42Å; F608-F718 HydrophobicContact CE2-CG 4.38Å; F608-F718 HydrophobicContact CZ-CB 4.45Å; F608-F718 HydrophobicContact CZ-CD1 4.3Å; F608-F718 AromaticContact CZ-CD2 3.64Å; F608-F718 HydrophobicContact CZ-CD2 3.64Å; F608-F718 HydrophobicContact CZ-CE1 4.44Å; F608-F718 AromaticContact CZ-CE2 3.8Å; F608-F718 HydrophobicContact CZ-CE2 3.8Å; F608-F718 AromaticContact CZ-CG 3.89Å; F608-F718 HydrophobicContact CZ-CG 3.89Å; F608-F718 HydrophobicContact CZ-CZ 4.2Å; L666-F718 HydrophobicContact CD1-CB 4.09Å; L666-F718 HydrophobicContact CD1-CD1 4.08Å; L666-F718 HydrophobicContact CD1-CG 3.99Å; F714-F718 WeakPolarHBondContact O-CA 3.31Å; F714-F718 PolarHBondContact O-N 3.33Å; N716-F718 VanDerWaalsContact C-N 3.32Å; F718-A844 HydrophobicContact CB-CB 3.76Å
719	L	97.4	Very high	96.9	Very high	6 Å²	6	4.6 Å²	4.6	3%	0.031	2%	0.023	C	C	.	.			trans	-100	177.2	177.5	-62.2	177.2	0	0	0	110.6	H657 F714 H723 C841 A844	H657-L719 HydrophobicContact CB-CD2 4.41Å; F714-L719 HydrophobicContact CB-CD2 3.31Å; F714-L719 HydrophobicContact CB-CG 3.96Å; F714-L719 HydrophobicContact CD1-CD2 4.22Å; F714-L719 HydrophobicContact CD2-CD1 3.82Å; F714-L719 HydrophobicContact CD2-CD2 3.81Å; F714-L719 HydrophobicContact CD2-CG 3.68Å; F714-L719 HydrophobicContact CE2-CD1 3.99Å; F714-L719 HydrophobicContact CE2-CG 4.36Å; F714-L719 HydrophobicContact CG-CD1 4.36Å; F714-L719 HydrophobicContact CG-CD2 3.57Å; F714-L719 HydrophobicContact CG-CG 3.99Å; L719-H723 HydrophobicContact CB-CB 4.17Å; L719-H723 HydrophobicContact CD1-CB 4.19Å; L719-H723 VanDerWaalsContact CD1-CD2 3.4Å; L719-H723 WeakPolarHBondContact CD1-CD2 3.32Å; L719-H723 VanDerWaalsContact CD1-CG 3.48Å; L719-C841 HydrophobicContact CB-CB 4.32Å; L719-A844 WeakPolarHBondContact O-CB 3.32Å
720	G	97.3	Very high	96.5	Very high	2 Å²	2	3.5 Å²	3.5	2%	0.021	2%	0.018	C	C	.	.			trans	-113.9	-151.9	-179.5	0	0	0	0	0	112.7	E660 S724 C841	E660-G720 WeakPolarHBondContact OE1-CA 3.32Å; E660-G720 PolarHBondContact OE1-N 2.97Å; G720-S724 PolarHBondContact O-OG 3.48Å; G720-C841 WeakPolarHBondContact O-CB 3.24Å
721	V	98	Very high	96	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-80.1	-17.1	-173.1	74.8	0	0	0	0	113.8	E660 S724 M725 V748 Y751 N845 P849 L854	E660-V721 PolarHBondContact OE1-N 3.38Å; E660-V721 VanDerWaalsContact OE1-N 3.07Å; V721-S724 WeakPolarHBondContact O-CB 3.29Å; V721-S724 PolarHBondContact O-N 3.43Å; V721-M725 HydrophobicContact CG1-CE 4.35Å; V721-M725 HydrophobicContact CG2-CE 4.33Å; V721-M725 WeakPolarHBondContact O-CE 3.32Å; V721-M725 PolarHBondContact O-N 2.67Å; V721-V748 HydrophobicContact CG1-CG1 3.73Å; V721-V748 HydrophobicContact CG1-CG2 4.36Å; V721-Y751 HydrophobicContact CG1-CD1 4.49Å; V721-N845 HydrophobicContact CB-CB 4.18Å; V721-N845 PolarHBondContact N-OD1 3.06Å; V721-P849 HydrophobicContact CG2-CG 4.07Å; V721-L854 HydrophobicContact CG2-CD1 4.16Å; V721-L854 HydrophobicContact CG2-CD2 3.4Å; V721-L854 HydrophobicContact CG2-CG 4.43Å
722	C	98.4	Very high	95.7	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-60.3	-51.5	174.6	-165.9	0	0	0	0	110	T656 E660 S724 M725 A726 L744 V748	T656-C722 HydrophobicContact CG2-CB 3.89Å; E660-C722 HydrophobicContact CG-CB 4.43Å; E660-C722 WeakPolarHBondContact OE1-CB 3.35Å; E660-C722 PolarHBondContact OE1-N 3.05Å; E660-C722 WeakPolarHBondContact OE2-CB 3.14Å; C722-S724 VanDerWaalsContact C-N 3.34Å; C722-S724 PolarHBondContact O-N 2.98Å; C722-M725 PolarHBondContact O-N 3.24Å; C722-A726 VanDerWaalsContact O-CB 3.24Å; C722-A726 WeakPolarHBondContact O-CB 3.39Å; C722-A726 PolarHBondContact O-N 2.61Å; C722-L744 VanDerWaalsContact SG-CB 3.52Å; C722-V748 HydrophobicContact CB-CG1 4.31Å; C722-V748 HydrophobicContact CB-CG2 4.13Å
723	H	96.7	Very high	95.4	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-61.7	-42.6	176.7	-78.7	75.6	0	0	0	112.5	D653 H657 E660 L719 M725 A726 H727 H737 N741 C841	D653-H723 IonicContact OD1-NE2 2.64Å; D653-H723 PolarHBondContact OD1-NE2 2.98Å; H657-H723 AromaticContact CD2-CE1 3.32Å; H657-H723 PolarHBondContact CD2-CE1 2.96Å; H657-H723 AromaticContact CD2-NE2 3.14Å; H657-H723 PolarHBondContact CD2-NE2 3.15Å; H657-H723 AromaticContact NE2-CE1 3.8Å; H657-H723 AromaticContact NE2-NE2 3.11Å; H657-H723 PolarHBondContact NE2-NE2 3.33Å; H657-H723 VanDerWaalsContact NE2-NE2 3.11Å; E660-H723 IonicContact OE2-CE1 3.64Å; E660-H723 PolarHBondContact OE2-CE1 3.16Å; E660-H723 IonicContact OE2-CG 3.58Å; E660-H723 IonicContact OE2-ND1 2.76Å; E660-H723 PolarHBondContact OE2-ND1 3.34Å; L719-H723 HydrophobicContact CB-CB 4.17Å; L719-H723 HydrophobicContact CD1-CB 4.19Å; L719-H723 VanDerWaalsContact CD1-CD2 3.4Å; L719-H723 WeakPolarHBondContact CD1-CD2 3.32Å; L719-H723 VanDerWaalsContact CD1-CG 3.48Å; H723-M725 VanDerWaalsContact C-N 3.29Å; H723-M725 PolarHBondContact O-N 2.78Å; H723-A726 PolarHBondContact O-N 2.74Å; H723-A726 VanDerWaalsContact O-N 3.12Å; H723-H727 PolarHBondContact O-N 3.08Å; H723-H727 PolarHBondContact O-ND1 3.33Å; H723-H737 AromaticContact CD2-CE1 3.53Å; H723-H737 AromaticContact CD2-NE2 3.2Å; H723-H737 PolarHBondContact CD2-NE2 3.34Å; H723-H737 AromaticContact NE2-NE2 3.38Å; H723-H737 PolarHBondContact NE2-NE2 3.4Å; H723-N741 PolarHBondContact CE1-ND2 2.94Å; H723-N741 PolarHBondContact NE2-ND2 3.19Å; H723-C841 HydrophobicContact CB-CB 4.3Å
724	S	96.2	Very high	94.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-55.2	-45.7	178.8	-54.7	0	0	0	0	111.8	G720 V721 C722 K728 A836 C841 T842	G720-S724 PolarHBondContact O-OG 3.48Å; V721-S724 WeakPolarHBondContact O-CB 3.29Å; V721-S724 PolarHBondContact O-N 3.43Å; C722-S724 VanDerWaalsContact C-N 3.34Å; C722-S724 PolarHBondContact O-N 2.98Å; S724-K728 WeakPolarHBondContact O-CG 3.42Å; S724-A836 WeakPolarHBondContact CB-O 3.19Å; S724-C841 WeakPolarHBondContact OG-CB 3.42Å; S724-T842 WeakPolarHBondContact CB-OG1 3.3Å; S724-T842 PolarHBondContact OG-N 2.99Å; S724-T842 PolarHBondContact OG-OG1 2.95Å
725	M	97.2	Very high	94.6	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-74	-40.1	174.6	-68.9	-176.3	-67.3	0	0	112.5	V721 C722 H723 H727 K728 L729 L744 V748 A836 L854 I857 L858	V721-M725 HydrophobicContact CG1-CE 4.35Å; V721-M725 HydrophobicContact CG2-CE 4.33Å; V721-M725 WeakPolarHBondContact O-CE 3.32Å; V721-M725 PolarHBondContact O-N 2.67Å; C722-M725 PolarHBondContact O-N 3.24Å; H723-M725 VanDerWaalsContact C-N 3.29Å; H723-M725 PolarHBondContact O-N 2.78Å; M725-H727 PolarHBondContact O-N 2.93Å; M725-K728 PolarHBondContact O-N 3.25Å; M725-L729 WeakPolarHBondContact O-CG 3.18Å; M725-L729 PolarHBondContact O-N 3.34Å; M725-L744 HydrophobicContact CB-CD1 3.76Å; M725-L744 HydrophobicContact CE-CD1 4.44Å; M725-L744 HydrophobicContact CE-CD2 4.12Å; M725-L744 HydrophobicContact SD-CD2 4.47Å; M725-V748 HydrophobicContact CE-CG2 3.58Å; M725-A836 HydrophobicContact CB-CB 4.41Å; M725-A836 HydrophobicContact CG-CB 3.78Å; M725-L854 HydrophobicContact SD-CB 4.21Å; M725-L854 HydrophobicContact SD-CD2 4.05Å; M725-I857 HydrophobicContact CE-CG2 4.04Å; M725-I857 HydrophobicContact SD-CG2 4.37Å; M725-L858 HydrophobicContact CB-CD2 4.24Å; M725-L858 HydrophobicContact CG-CD2 4.42Å; M725-L858 HydrophobicContact SD-CD1 4.39Å; M725-L858 HydrophobicContact SD-CD2 4.08Å; M725-L858 HydrophobicContact SD-CG 3.87Å
726	A	95.6	Very high	94.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-64.5	-35.9	-178.2	0	0	0	0	0	113.3	C722 H723 K728 G730 A740 N741 L744	C722-A726 VanDerWaalsContact O-CB 3.24Å; C722-A726 WeakPolarHBondContact O-CB 3.39Å; C722-A726 PolarHBondContact O-N 2.61Å; H723-A726 PolarHBondContact O-N 2.74Å; H723-A726 VanDerWaalsContact O-N 3.12Å; A726-K728 VanDerWaalsContact C-N 3.3Å; A726-K728 PolarHBondContact O-N 2.96Å; A726-G730 PolarHBondContact O-N 3.36Å; A726-A740 HydrophobicContact CB-CB 3.78Å; A726-N741 WeakPolarHBondContact CB-OD1 3.44Å; A726-L744 HydrophobicContact CB-CD1 4.09Å
727	H	92	Very high	94	Very high	10 Å²	10	22 Å²	22	5%	0.046	11%	0.112	C	C	.	.	H	α-helix	trans	-56.7	-46	172.8	-67.5	155.9	0	0	0	111.2	H723 M725 S731 H737 D839	H723-H727 PolarHBondContact O-N 3.08Å; H723-H727 PolarHBondContact O-ND1 3.33Å; M725-H727 PolarHBondContact O-N 2.93Å; H727-S731 WeakPolarHBondContact O-CB 3.3Å; H727-S731 PolarHBondContact O-N 2.93Å; H727-H737 AromaticContact CD2-CE1 3.49Å; H727-H737 PolarHBondContact CD2-CE1 3.38Å; H727-H737 VanDerWaalsContact CD2-CE1 3.49Å; H727-H737 AromaticContact CD2-ND1 3.91Å; H727-H737 AromaticContact NE2-CE1 3.63Å; H727-D839 IonicContact CG-OD2 3.38Å; H727-D839 IonicContact ND1-OD1 3.75Å; H727-D839 IonicContact ND1-OD2 3.96Å; H727-D839 PolarHBondContact ND1-OD2 3.46Å; H727-D839 VanDerWaalsContact ND1-OD2 3.08Å
728	K	92	Very high	93.8	Very high	17 Å²	17	22.2 Å²	22.2	7%	0.074	11%	0.114	C	C	.	.	H	α-helix	trans	-76.3	-40.1	-176.3	-43.4	-47.6	173.5	-163.2	0	111.1	K619 S724 M725 A726 G730 S731 Q732 L832 D835 A836 D839	K619-K728 PolarHBondContact O-NZ 2.67Å; S724-K728 WeakPolarHBondContact O-CG 3.42Å; M725-K728 PolarHBondContact O-N 3.25Å; A726-K728 VanDerWaalsContact C-N 3.3Å; A726-K728 PolarHBondContact O-N 2.96Å; K728-G730 PolarHBondContact O-N 3.09Å; K728-S731 PolarHBondContact O-N 3.39Å; K728-Q732 WeakPolarHBondContact O-CB 3.5Å; K728-Q732 PolarHBondContact O-N 2.87Å; K728-L832 HydrophobicContact CB-CD2 3.6Å; K728-L832 WeakPolarHBondContact O-CD2 3.35Å; K728-D835 HydrophobicContact CD-CB 3.95Å; K728-D835 WeakPolarHBondContact CE-O 3.47Å; K728-D835 HydrophobicContact CG-CB 3.92Å; K728-A836 HydrophobicContact CG-CB 4.3Å; K728-D839 VanDerWaalsContact CE-OD2 3.3Å; K728-D839 WeakPolarHBondContact CE-OD2 3.44Å; K728-D839 IonicContact NZ-OD2 3.61Å; K728-D839 PolarHBondContact NZ-OD2 3.19Å
729	L	93.1	Very high	93.8	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-58.8	-45.2	172.2	-75.6	178.9	0	0	0	112.3	M725 F733 A740 L744 I815 F825 L832 L858	M725-L729 WeakPolarHBondContact O-CG 3.18Å; M725-L729 PolarHBondContact O-N 3.34Å; L729-F733 HydrophobicContact CD2-CD2 3.91Å; L729-F733 HydrophobicContact CD2-CE2 3.76Å; L729-F733 PolarHBondContact O-N 3.33Å; L729-A740 HydrophobicContact CB-CB 4.47Å; L729-L744 HydrophobicContact CD1-CD1 3.86Å; L729-L744 HydrophobicContact CD1-CD2 4.2Å; L729-L744 HydrophobicContact CD1-CG 4.19Å; L729-I815 HydrophobicContact CD1-CD1 3.94Å; L729-I815 HydrophobicContact CD2-CD1 4.26Å; L729-F825 HydrophobicContact CD2-CE2 4.02Å; L729-L832 HydrophobicContact CD2-CD1 4.28Å; L729-L858 HydrophobicContact CD1-CD2 3.85Å; L729-L858 HydrophobicContact CD2-CD2 3.99Å; L729-L858 HydrophobicContact CG-CD2 4Å
730	G	89.9	Confident	93.8	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-68.8	-34.6	179.2	0	0	0	0	0	112.9	A726 K728 H734 I735	A726-G730 PolarHBondContact O-N 3.36Å; K728-G730 PolarHBondContact O-N 3.09Å; G730-H734 WeakPolarHBondContact O-CA 3.48Å; G730-H734 PolarHBondContact O-N 2.8Å; G730-I735 VanDerWaalsContact CA-O 3.22Å; G730-I735 WeakPolarHBondContact CA-O 3.36Å
731	S	87	Confident	93.8	Very high	31 Å²	31	22.4 Å²	22.4	22%	0.217	12%	0.115	C	C	.	.	H	α-helix	trans	-68	-47.7	174.5	170.1	0	0	0	0	112.1	G617 H727 K728	G617-S731 PolarHBondContact O-OG 3.1Å; G617-S731 VanDerWaalsContact O-OG 3.04Å; H727-S731 WeakPolarHBondContact O-CB 3.3Å; H727-S731 PolarHBondContact O-N 2.93Å; K728-S731 PolarHBondContact O-N 3.39Å
732	Q	90.8	Very high	93.8	Very high	79 Å²	79	22.4 Å²	22.4	37%	0.369	12%	0.115	S	C	.	.	H	α-helix	trans	-76.1	-36.7	-174.1	-171.9	67.8	18.5	0	0	113.7	K728 N828 L832	K728-Q732 WeakPolarHBondContact O-CB 3.5Å; K728-Q732 PolarHBondContact O-N 2.87Å; Q732-N828 HydrophobicContact CG-CB 4.25Å; Q732-N828 VanDerWaalsContact NE2-CG 3.29Å; Q732-N828 PolarHBondContact NE2-ND2 2.88Å; Q732-N828 PolarHBondContact NE2-OD1 3.45Å; Q732-L832 HydrophobicContact CB-CD2 3.8Å; Q732-L832 HydrophobicContact CG-CD2 4.26Å
733	F	92.6	Very high	93.8	Very high	26 Å²	26	22.7 Å²	22.7	11%	0.114	12%	0.116	C	C	.	.	H	α-helix	trans	-115.7	4.8	-173	-53.1	-58.3	0	0	0	113.7	L729 I735 V820 D824 F825 L832	L729-F733 HydrophobicContact CD2-CD2 3.91Å; L729-F733 HydrophobicContact CD2-CE2 3.76Å; L729-F733 PolarHBondContact O-N 3.33Å; F733-I735 HydrophobicContact CB-CD1 4.17Å; F733-I735 HydrophobicContact CB-CG1 4.07Å; F733-I735 PolarHBondContact O-N 2.86Å; F733-I735 VanDerWaalsContact O-N 3.1Å; F733-V820 HydrophobicContact CB-CG2 3.82Å; F733-V820 HydrophobicContact CD1-CG1 3.68Å; F733-V820 HydrophobicContact CD1-CG2 4.42Å; F733-V820 HydrophobicContact CD2-CG1 4.29Å; F733-V820 HydrophobicContact CD2-CG2 4.39Å; F733-V820 HydrophobicContact CE1-CG1 3.84Å; F733-V820 HydrophobicContact CE2-CG1 4.41Å; F733-V820 HydrophobicContact CG-CG1 3.93Å; F733-V820 HydrophobicContact CG-CG2 3.96Å; F733-V820 HydrophobicContact CZ-CG1 4.22Å; F733-D824 WeakPolarHBondContact CE1-OD2 3.37Å; F733-F825 AromaticContact CE2-CD2 3.7Å; F733-F825 HydrophobicContact CE2-CD2 3.7Å; F733-F825 HydrophobicContact CE2-CE2 4.14Å; F733-F825 HydrophobicContact CZ-CB 4.43Å; F733-F825 AromaticContact CZ-CD2 3.83Å; F733-F825 HydrophobicContact CZ-CD2 3.83Å; F733-L832 HydrophobicContact CE2-CD1 3.6Å; F733-L832 HydrophobicContact CZ-CD1 3.85Å
734	H	89	Confident	93.9	Very high	153 Å²	153	22.6 Å²	22.6	71%	0.708	12%	0.116	S	C	*	.			trans	54.9	28	-177.2	-52.4	-63.5	0	0	0	113.7	G730	G730-H734 WeakPolarHBondContact O-CA 3.48Å; G730-H734 PolarHBondContact O-N 2.8Å
735	I	92.3	Very high	94	Very high	9 Å²	9	22.8 Å²	22.8	5%	0.046	12%	0.117	C	C	.	.			trans	-72.4	128.4	173	-67.4	173.2	0	0	0	108.5	G730 F733 H737 L739 A740 I815 V820	G730-I735 VanDerWaalsContact CA-O 3.22Å; G730-I735 WeakPolarHBondContact CA-O 3.36Å; F733-I735 HydrophobicContact CB-CD1 4.17Å; F733-I735 HydrophobicContact CB-CG1 4.07Å; F733-I735 PolarHBondContact O-N 2.86Å; F733-I735 VanDerWaalsContact O-N 3.1Å; I735-H737 PolarHBondContact O-N 3.33Å; I735-L739 HydrophobicContact CG2-CB 4.01Å; I735-L739 HydrophobicContact CG2-CD2 4.02Å; I735-L739 HydrophobicContact CG2-CG 3.88Å; I735-A740 HydrophobicContact CG2-CB 3.94Å; I735-I815 HydrophobicContact CD1-CG2 4.08Å; I735-V820 HydrophobicContact CD1-CG2 3.7Å; I735-V820 HydrophobicContact CG1-CG2 4.3Å
736	P	91.6	Very high	94.1	Very high	62 Å²	62	22.9 Å²	22.9	40%	0.403	12%	0.118	S	C	.	.			trans	-55.1	140.1	174.7	-27.3	35.2	0	0	0	112.6	F649 G738 L739 A740	F649-P736 HydrophobicContact CD2-CB 3.9Å; F649-P736 HydrophobicContact CD2-CG 4.33Å; F649-P736 HydrophobicContact CE2-CB 4.1Å; F649-P736 HydrophobicContact CE2-CG 4.03Å; P736-G738 PolarHBondContact O-N 3.45Å; P736-L739 HydrophobicContact CB-CB 4.32Å; P736-L739 WeakPolarHBondContact O-CA 3.28Å; P736-L739 WeakPolarHBondContact O-CB 3.42Å; P736-L739 PolarHBondContact O-N 3.19Å; P736-A740 PolarHBondContact O-N 2.83Å
737	H	91.3	Very high	94.2	Very high	57 Å²	57	23.3 Å²	23.3	26%	0.264	12%	0.12	S	C	.	.	H	α-helix	trans	-51.1	-53.8	-172	-171.7	65.3	0	0	0	114	D653 H723 H727 I735 L739 A740 N741	D653-H737 IonicContact OD1-CD2 3.09Å; D653-H737 IonicContact OD1-NE2 3.68Å; D653-H737 IonicContact OD2-CD2 2.61Å; H723-H737 AromaticContact CD2-CE1 3.53Å; H723-H737 AromaticContact CD2-NE2 3.2Å; H723-H737 PolarHBondContact CD2-NE2 3.34Å; H723-H737 AromaticContact NE2-NE2 3.38Å; H723-H737 PolarHBondContact NE2-NE2 3.4Å; H727-H737 AromaticContact CD2-CE1 3.49Å; H727-H737 PolarHBondContact CD2-CE1 3.38Å; H727-H737 VanDerWaalsContact CD2-CE1 3.49Å; H727-H737 AromaticContact CD2-ND1 3.91Å; H727-H737 AromaticContact NE2-CE1 3.63Å; I735-H737 PolarHBondContact O-N 3.33Å; H737-L739 VanDerWaalsContact C-N 3.25Å; H737-L739 PolarHBondContact O-N 3.03Å; H737-A740 WeakPolarHBondContact O-CB 3.46Å; H737-A740 PolarHBondContact O-N 3.05Å; H737-A740 VanDerWaalsContact O-N 3.11Å; H737-N741 PolarHBondContact NE2-ND2 3.24Å; H737-N741 PolarHBondContact O-N 2.92Å
738	G	94.3	Very high	94.5	Very high	5 Å²	5	22.8 Å²	22.8	5%	0.052	12%	0.118	C	C	.	.	H	α-helix	trans	-64.3	-26.6	179	0	0	0	0	0	114.5	F649 P736 A742	F649-G738 WeakPolarHBondContact O-CA 3.07Å; P736-G738 PolarHBondContact O-N 3.45Å; G738-A742 WeakPolarHBondContact O-CB 3.4Å; G738-A742 PolarHBondContact O-N 2.94Å; G738-A742 VanDerWaalsContact O-N 3.07Å
739	L	97.3	Very high	94.8	Very high	16 Å²	16	22 Å²	22	8%	0.084	11%	0.114	C	C	.	.	H	α-helix	trans	-71.1	-44.7	172.5	176.1	56.9	0	0	0	110.6	F649 I735 P736 H737 N741 A742 L743 I811 P812 A818	F649-L739 HydrophobicContact CD1-CB 4.06Å; F649-L739 HydrophobicContact CE1-CB 3.99Å; F649-L739 HydrophobicContact CE1-CD1 4.24Å; F649-L739 HydrophobicContact CE1-CD2 4.43Å; F649-L739 HydrophobicContact CE1-CG 4.45Å; F649-L739 HydrophobicContact CG-CB 4.43Å; F649-L739 HydrophobicContact CZ-CB 4.29Å; F649-L739 HydrophobicContact CZ-CD2 4.25Å; I735-L739 HydrophobicContact CG2-CB 4.01Å; I735-L739 HydrophobicContact CG2-CD2 4.02Å; I735-L739 HydrophobicContact CG2-CG 3.88Å; P736-L739 HydrophobicContact CB-CB 4.32Å; P736-L739 WeakPolarHBondContact O-CA 3.28Å; P736-L739 WeakPolarHBondContact O-CB 3.42Å; P736-L739 PolarHBondContact O-N 3.19Å; H737-L739 VanDerWaalsContact C-N 3.25Å; H737-L739 PolarHBondContact O-N 3.03Å; L739-N741 PolarHBondContact O-N 3.47Å; L739-A742 PolarHBondContact O-N 2.82Å; L739-L743 HydrophobicContact CD1-CD1 4.2Å; L739-L743 HydrophobicContact CD1-CG 4.22Å; L739-L743 HydrophobicContact CG-CD1 4.18Å; L739-L743 VanDerWaalsContact O-CG 3.25Å; L739-L743 WeakPolarHBondContact O-CG 3.37Å; L739-L743 PolarHBondContact O-N 2.83Å; L739-L743 VanDerWaalsContact O-N 3.07Å; L739-I811 HydrophobicContact CD1-CD1 4.27Å; L739-I811 HydrophobicContact CD1-CG2 3.81Å; L739-P812 HydrophobicContact CD1-CG 3.95Å; L739-A818 HydrophobicContact CD2-CB 4.44Å
740	A	97.2	Very high	95.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.6	-45.6	175.6	0	0	0	0	0	111.7	A726 L729 I735 P736 H737 A742 L743 L744	A726-A740 HydrophobicContact CB-CB 3.78Å; L729-A740 HydrophobicContact CB-CB 4.47Å; I735-A740 HydrophobicContact CG2-CB 3.94Å; P736-A740 PolarHBondContact O-N 2.83Å; H737-A740 WeakPolarHBondContact O-CB 3.46Å; H737-A740 PolarHBondContact O-N 3.05Å; H737-A740 VanDerWaalsContact O-N 3.11Å; A740-A742 PolarHBondContact O-N 3.42Å; A740-L743 PolarHBondContact O-N 3.03Å; A740-L744 WeakPolarHBondContact O-CG 3.38Å; A740-L744 PolarHBondContact O-N 3.04Å; A740-L744 VanDerWaalsContact O-N 3.14Å
741	N	97.9	Very high	95.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.9	-45.5	175.9	-74.6	-12.9	0	0	0	111.9	D653 T656 H723 A726 H737 L739 L743 L744 I745	D653-N741 PolarHBondContact OD1-ND2 3.23Å; T656-N741 HydrophobicContact CG2-CB 4.12Å; H723-N741 PolarHBondContact CE1-ND2 2.94Å; H723-N741 PolarHBondContact NE2-ND2 3.19Å; A726-N741 WeakPolarHBondContact CB-OD1 3.44Å; H737-N741 PolarHBondContact NE2-ND2 3.24Å; H737-N741 PolarHBondContact O-N 2.92Å; L739-N741 PolarHBondContact O-N 3.47Å; N741-L743 VanDerWaalsContact C-N 3.29Å; N741-L743 PolarHBondContact O-N 2.72Å; N741-L744 PolarHBondContact O-N 2.88Å; N741-I745 WeakPolarHBondContact O-CB 3.22Å; N741-I745 PolarHBondContact O-N 3.48Å
742	A	98.1	Very high	96	Very high	1 Å²	1	23 Å²	23	1%	0.008	11%	0.113	C	C	.	.	H	α-helix	trans	-62.9	-32.8	178.7	0	0	0	0	0	113.7	L652 G738 L739 A740 K806 I811	L652-A742 HydrophobicContact CB-CB 4.13Å; L652-A742 HydrophobicContact CD1-CB 3.87Å; L652-A742 HydrophobicContact CG-CB 4.5Å; G738-A742 WeakPolarHBondContact O-CB 3.4Å; G738-A742 PolarHBondContact O-N 2.94Å; G738-A742 VanDerWaalsContact O-N 3.07Å; L739-A742 PolarHBondContact O-N 2.82Å; A740-A742 PolarHBondContact O-N 3.42Å; A742-K806 WeakPolarHBondContact O-CD 3.45Å; A742-K806 WeakPolarHBondContact O-CE 3.27Å; A742-K806 PolarHBondContact O-NZ 3.04Å; A742-I811 HydrophobicContact CB-CG2 4Å
743	L	98.3	Very high	96.3	Very high	5 Å²	5	19.4 Å²	19.4	3%	0.026	10%	0.097	C	C	.	.	H	α-helix	trans	-72.4	-35.1	176.6	-68.1	169.8	0	0	0	111.8	L739 A740 N741 P812 I815 A818 T861	L739-L743 HydrophobicContact CD1-CD1 4.2Å; L739-L743 HydrophobicContact CD1-CG 4.22Å; L739-L743 HydrophobicContact CG-CD1 4.18Å; L739-L743 VanDerWaalsContact O-CG 3.25Å; L739-L743 WeakPolarHBondContact O-CG 3.37Å; L739-L743 PolarHBondContact O-N 2.83Å; L739-L743 VanDerWaalsContact O-N 3.07Å; A740-L743 PolarHBondContact O-N 3.03Å; N741-L743 VanDerWaalsContact C-N 3.29Å; N741-L743 PolarHBondContact O-N 2.72Å; L743-P812 HydrophobicContact CD2-CG 4.36Å; L743-P812 VanDerWaalsContact CD2-O 3.27Å; L743-P812 WeakPolarHBondContact CD2-O 3.24Å; L743-I815 HydrophobicContact CD1-CG1 3.88Å; L743-A818 HydrophobicContact CD1-CB 4.12Å; L743-T861 HydrophobicContact CB-CG2 3.83Å; L743-T861 WeakPolarHBondContact O-CG2 3.26Å
744	L	98.6	Very high	96.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-87.2	-38.7	-174.2	-71.5	169.2	0	0	0	114	C722 M725 A726 L729 A740 N741 C746 N747 V748 I857 L858 T861	C722-L744 VanDerWaalsContact SG-CB 3.52Å; M725-L744 HydrophobicContact CB-CD1 3.76Å; M725-L744 HydrophobicContact CE-CD1 4.44Å; M725-L744 HydrophobicContact CE-CD2 4.12Å; M725-L744 HydrophobicContact SD-CD2 4.47Å; A726-L744 HydrophobicContact CB-CD1 4.09Å; L729-L744 HydrophobicContact CD1-CD1 3.86Å; L729-L744 HydrophobicContact CD1-CD2 4.2Å; L729-L744 HydrophobicContact CD1-CG 4.19Å; A740-L744 WeakPolarHBondContact O-CG 3.38Å; A740-L744 PolarHBondContact O-N 3.04Å; A740-L744 VanDerWaalsContact O-N 3.14Å; N741-L744 PolarHBondContact O-N 2.88Å; L744-C746 VanDerWaalsContact C-N 3.3Å; L744-C746 PolarHBondContact O-N 2.7Å; L744-C746 VanDerWaalsContact O-N 3.11Å; L744-N747 PolarHBondContact O-N 3.24Å; L744-V748 HydrophobicContact CB-CG2 4.25Å; L744-V748 PolarHBondContact O-N 2.78Å; L744-I857 HydrophobicContact CD2-CG2 4.47Å; L744-L858 HydrophobicContact CD2-CD2 4.19Å; L744-T861 HydrophobicContact CD2-CG2 4.19Å
745	I	98.4	Very high	96.7	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.021	9%	0.086	C	C	.	.	H	α-helix	trans	-57.4	-36.4	-162.6	-170.4	55.3	0	0	0	114.2	T656 M659 N741 N747 V748 I749 L802	T656-I745 HydrophobicContact CG2-CB 4.37Å; T656-I745 HydrophobicContact CG2-CD1 3.81Å; T656-I745 HydrophobicContact CG2-CG1 4.19Å; M659-I745 HydrophobicContact CB-CD1 4.47Å; M659-I745 HydrophobicContact CG-CD1 4.21Å; N741-I745 WeakPolarHBondContact O-CB 3.22Å; N741-I745 PolarHBondContact O-N 3.48Å; I745-N747 VanDerWaalsContact C-N 3.34Å; I745-N747 PolarHBondContact O-N 2.86Å; I745-V748 PolarHBondContact O-N 2.87Å; I745-I749 HydrophobicContact CD1-CD1 4.33Å; I745-I749 HydrophobicContact CD1-CG1 4.12Å; I745-I749 HydrophobicContact CG1-CD1 4.06Å; I745-I749 HydrophobicContact CG1-CG1 4.33Å; I745-I749 WeakPolarHBondContact O-CB 3.34Å; I745-I749 VanDerWaalsContact O-CG1 3.29Å; I745-I749 WeakPolarHBondContact O-CG1 3.25Å; I745-I749 PolarHBondContact O-N 3.43Å; I745-L802 HydrophobicContact CG2-CD1 4.45Å
746	C	98.4	Very high	96.8	Very high	4 Å²	4	21.9 Å²	21.9	3%	0.027	12%	0.117	C	C	.	.	H	α-helix	trans	-62.2	-40.6	176.9	-66.1	0	0	0	0	112.1	L744 R750 L799 E803	L744-C746 VanDerWaalsContact C-N 3.3Å; L744-C746 PolarHBondContact O-N 2.7Å; L744-C746 VanDerWaalsContact O-N 3.11Å; C746-R750 WeakPolarHBondContact O-CG 3.27Å; C746-R750 PolarHBondContact O-N 3.03Å; C746-R750 PolarHBondContact O-NH1 3.05Å; C746-L799 HydrophobicContact CB-CD2 4.05Å; C746-L799 WeakPolarHBondContact O-CD2 3.08Å; C746-E803 PolarHBondContact SG-OE1 2.76Å
747	N	98.4	Very high	97	Very high	8 Å²	8	20.2 Å²	20.2	4%	0.043	11%	0.106	C	C	.	.	H	α-helix	trans	-77.1	-35	176.7	-79.4	-28.9	0	0	0	112.4	L744 I745 R750 Y751 I857 T861 R865 D866 Y867	L744-N747 PolarHBondContact O-N 3.24Å; I745-N747 VanDerWaalsContact C-N 3.34Å; I745-N747 PolarHBondContact O-N 2.86Å; N747-R750 PolarHBondContact O-N 2.93Å; N747-R750 PolarHBondContact OD1-NH1 3.49Å; N747-Y751 WeakPolarHBondContact O-CB 3.49Å; N747-Y751 PolarHBondContact O-N 2.94Å; N747-I857 HydrophobicContact CB-CG2 3.94Å; N747-T861 PolarHBondContact ND2-OG1 3.25Å; N747-T861 VanDerWaalsContact ND2-OG1 3.09Å; N747-R865 PolarHBondContact ND2-O 3.37Å; N747-R865 PolarHBondContact OD1-O 2.84Å; N747-D866 VanDerWaalsContact OD1-CA 3.3Å; N747-D866 WeakPolarHBondContact OD1-CA 3.49Å; N747-Y867 PolarHBondContact OD1-N 3.04Å
748	V	98.5	Very high	97.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.7	-40.1	175.3	173.8	0	0	0	0	111.5	V721 C722 M725 L744 I745 R750 Y751 N752	V721-V748 HydrophobicContact CG1-CG1 3.73Å; V721-V748 HydrophobicContact CG1-CG2 4.36Å; C722-V748 HydrophobicContact CB-CG1 4.31Å; C722-V748 HydrophobicContact CB-CG2 4.13Å; M725-V748 HydrophobicContact CE-CG2 3.58Å; L744-V748 HydrophobicContact CB-CG2 4.25Å; L744-V748 PolarHBondContact O-N 2.78Å; I745-V748 PolarHBondContact O-N 2.87Å; V748-R750 VanDerWaalsContact C-N 3.34Å; V748-R750 PolarHBondContact O-N 2.95Å; V748-Y751 WeakPolarHBondContact O-CB 3.45Å; V748-Y751 PolarHBondContact O-N 3.03Å; V748-N752 WeakPolarHBondContact O-CB 3.33Å; V748-N752 PolarHBondContact O-N 2.88Å
749	I	98.5	Very high	97.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-58.6	-48.1	173.5	-73.3	168.8	0	0	0	109.8	M659 I745 Y751 N752 A753 Y775 I795 L798 L799 L802	M659-I749 HydrophobicContact CE-CD1 4.43Å; M659-I749 HydrophobicContact CG-CD1 4.04Å; M659-I749 HydrophobicContact CG-CG1 4.35Å; M659-I749 HydrophobicContact SD-CD1 4.27Å; I745-I749 HydrophobicContact CD1-CD1 4.33Å; I745-I749 HydrophobicContact CD1-CG1 4.12Å; I745-I749 HydrophobicContact CG1-CD1 4.06Å; I745-I749 HydrophobicContact CG1-CG1 4.33Å; I745-I749 WeakPolarHBondContact O-CB 3.34Å; I745-I749 VanDerWaalsContact O-CG1 3.29Å; I745-I749 WeakPolarHBondContact O-CG1 3.25Å; I745-I749 PolarHBondContact O-N 3.43Å; I749-Y751 VanDerWaalsContact C-N 3.32Å; I749-Y751 PolarHBondContact O-N 3.46Å; I749-N752 PolarHBondContact O-N 3.24Å; I749-A753 WeakPolarHBondContact O-CA 3.42Å; I749-A753 WeakPolarHBondContact O-CB 3.27Å; I749-A753 PolarHBondContact O-N 3.42Å; I749-Y775 HydrophobicContact CB-CE2 4.28Å; I749-Y775 HydrophobicContact CG1-CD1 4.31Å; I749-Y775 HydrophobicContact CG1-CE1 3.87Å; I749-Y775 HydrophobicContact CG1-CE2 4.28Å; I749-Y775 HydrophobicContact CG2-CD1 4.49Å; I749-Y775 HydrophobicContact CG2-CD2 3.94Å; I749-Y775 HydrophobicContact CG2-CE2 4.05Å; I749-Y775 HydrophobicContact CG2-CG 4.16Å; I749-I795 HydrophobicContact CG2-CG2 3.86Å; I749-L798 HydrophobicContact CD1-CD2 4.3Å; I749-L799 HydrophobicContact CB-CD2 3.94Å; I749-L799 HydrophobicContact CD1-CD2 4.15Å; I749-L799 HydrophobicContact CG2-CD2 3.86Å; I749-L799 HydrophobicContact CG2-CG 4.4Å; I749-L802 HydrophobicContact CD1-CD1 3.52Å
750	R	97.8	Very high	97.4	Very high	50 Å²	50	28.8 Å²	28.8	19%	0.189	15%	0.147	C	C	.	.	H	α-helix	trans	-60.9	-40.4	178	-68.6	-177.6	-177.5	109.4	-9.7	112.7	C746 N747 V748 L799 D866	C746-R750 WeakPolarHBondContact O-CG 3.27Å; C746-R750 PolarHBondContact O-N 3.03Å; C746-R750 PolarHBondContact O-NH1 3.05Å; N747-R750 PolarHBondContact O-N 2.93Å; N747-R750 PolarHBondContact OD1-NH1 3.49Å; V748-R750 VanDerWaalsContact C-N 3.34Å; V748-R750 PolarHBondContact O-N 2.95Å; R750-L799 HydrophobicContact CG-CD1 3.81Å; R750-D866 VanDerWaalsContact CZ-CG 3.44Å; R750-D866 IonicContact CZ-OD1 2.67Å; R750-D866 IonicContact NE-OD1 2.61Å; R750-D866 IonicContact NH1-OD1 3.24Å; R750-D866 PolarHBondContact NH1-OD1 3.44Å; R750-D866 IonicContact NH2-OD1 2.82Å; R750-D866 PolarHBondContact NH2-OD1 2.83Å; R750-D866 IonicContact NH2-OD2 2.73Å
751	Y	98.3	Very high	97.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62	-48	177.3	172.3	-110	0	0	0	113.2	V721 N747 V748 I749 R847 P849 E853 I857 Y867	V721-Y751 HydrophobicContact CG1-CD1 4.49Å; N747-Y751 WeakPolarHBondContact O-CB 3.49Å; N747-Y751 PolarHBondContact O-N 2.94Å; V748-Y751 WeakPolarHBondContact O-CB 3.45Å; V748-Y751 PolarHBondContact O-N 3.03Å; I749-Y751 VanDerWaalsContact C-N 3.32Å; I749-Y751 PolarHBondContact O-N 3.46Å; Y751-R847 HydrophobicContact CE1-CB 3.99Å; Y751-R847 HydrophobicContact CE1-CG 3.82Å; Y751-R847 VanDerWaalsContact CE2-CD 3.45Å; Y751-R847 HydrophobicContact CE2-CG 4.3Å; Y751-R847 VanDerWaalsContact CE2-CZ 3.4Å; Y751-R847 VanDerWaalsContact CZ-NE 3.32Å; Y751-R847 WeakPolarHBondContact O-CD 3.43Å; Y751-R847 PolarHBondContact O-NH1 3.3Å; Y751-R847 WeakPolarHBondContact OH-CD 3.45Å; Y751-R847 WeakPolarHBondContact OH-CG 3.38Å; Y751-R847 PolarHBondContact OH-NE 3.45Å; Y751-P849 HydrophobicContact CE1-CB 4.31Å; Y751-P849 WeakPolarHBondContact OH-CA 3.33Å; Y751-P849 VanDerWaalsContact OH-CB 3.25Å; Y751-P849 WeakPolarHBondContact OH-CB 3.3Å; Y751-E853 HydrophobicContact CE2-CB 3.71Å; Y751-E853 HydrophobicContact CE2-CG 4.2Å; Y751-E853 WeakPolarHBondContact CE2-OE2 3.32Å; Y751-E853 PolarHBondContact OH-OE2 2.9Å; Y751-I857 HydrophobicContact CD1-CD1 3.84Å; Y751-I857 HydrophobicContact CD2-CD1 3.64Å; Y751-I857 HydrophobicContact CD2-CG1 4.46Å; Y751-I857 HydrophobicContact CE1-CD1 4.38Å; Y751-I857 HydrophobicContact CE2-CD1 4.19Å; Y751-I857 HydrophobicContact CG-CD1 3.42Å; Y751-I857 VanDerWaalsContact CG-CD1 3.42Å; Y751-I857 HydrophobicContact CG-CG1 4.47Å; Y751-Y867 HydrophobicContact CD2-CD1 4.26Å; Y751-Y867 AromaticContact CD2-CE1 3.62Å; Y751-Y867 HydrophobicContact CD2-CE1 3.62Å; Y751-Y867 AromaticContact CD2-CZ 3.76Å; Y751-Y867 HydrophobicContact CG-CE1 4.41Å
752	N	98.4	Very high	97.4	Very high	3 Å²	3	34 Å²	34	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-76.2	-30.1	179.4	-78.2	-20	0	0	0	112.4	V748 I749 N754 A771 Y775 N845	V748-N752 WeakPolarHBondContact O-CB 3.33Å; V748-N752 PolarHBondContact O-N 2.88Å; I749-N752 PolarHBondContact O-N 3.24Å; N752-N754 PolarHBondContact O-N 2.99Å; N752-A771 HydrophobicContact CB-CB 4.28Å; N752-A771 WeakPolarHBondContact O-CB 3.33Å; N752-Y775 HydrophobicContact CB-CE2 3.81Å; N752-Y775 PolarHBondContact ND2-OH 3.03Å; N752-N845 PolarHBondContact ND2-OD1 3.07Å; N752-N845 PolarHBondContact OD1-ND2 3.46Å
753	A	97.4	Very high	97.4	Very high	5 Å²	5	35.5 Å²	35.5	4%	0.041	20%	0.195	C	C	.	.			trans	-73.9	35.4	-178.8	0	0	0	0	0	114.1	I749 R772 Y775 I795	I749-A753 WeakPolarHBondContact O-CA 3.42Å; I749-A753 WeakPolarHBondContact O-CB 3.27Å; I749-A753 PolarHBondContact O-N 3.42Å; A753-R772 HydrophobicContact CB-CB 4.5Å; A753-R772 HydrophobicContact CB-CG 4.47Å; A753-R772 PolarHBondContact O-NH1 3.29Å; A753-Y775 HydrophobicContact CB-CD2 4.05Å; A753-Y775 HydrophobicContact CB-CE2 4.46Å; A753-I795 HydrophobicContact CB-CD1 3.79Å; A753-I795 HydrophobicContact CB-CG2 4.46Å
754	N	93.9	Very high	97.3	Very high	29 Å²	29	37.1 Å²	37.1	16%	0.155	21%	0.207	C	C	.	.			trans	-115	120	175.1	-171.7	-42.7	0	0	0	108.9	N752 N756 P757 E869	N752-N754 PolarHBondContact O-N 2.99Å; N754-N756 VanDerWaalsContact C-N 3.25Å; N754-N756 PolarHBondContact O-N 3.4Å; N754-N756 VanDerWaalsContact OD1-CA 3.29Å; N754-N756 WeakPolarHBondContact OD1-CA 3.3Å; N754-N756 PolarHBondContact OD1-N 3.44Å; N754-N756 PolarHBondContact OD1-O 3.13Å; N754-N756 PolarHBondContact OD1-OD1 3.02Å; N754-P757 WeakPolarHBondContact O-CD 3.46Å; N754-E869 PolarHBondContact ND2-OE2 3.45Å
755	D	95.9	Very high	97.2	Very high	81 Å²	81	39.7 Å²	39.7	43%	0.433	22%	0.219	S	C	.	.	S	Bend	trans	-80.5	-7.1	-179.4	-73.2	-27.8	0	0	0	113	R772	D755-R772 VanDerWaalsContact OD1-CB 3.26Å; D755-R772 WeakPolarHBondContact OD1-CB 3.33Å; D755-R772 WeakPolarHBondContact OD2-CD 3.34Å
756	N	95	Very high	97.2	Very high	130 Å²	130	40.2 Å²	40.2	70%	0.695	22%	0.221	S	C	*	.	S	Bend	trans	-123.6	55.7	175.3	57.9	-54.5	0	0	0	112	N754	N754-N756 VanDerWaalsContact C-N 3.25Å; N754-N756 PolarHBondContact O-N 3.4Å; N754-N756 VanDerWaalsContact OD1-CA 3.29Å; N754-N756 WeakPolarHBondContact OD1-CA 3.3Å; N754-N756 PolarHBondContact OD1-N 3.44Å; N754-N756 PolarHBondContact OD1-O 3.13Å; N754-N756 PolarHBondContact OD1-OD1 3.02Å
757	P	96.2	Very high	97.1	Very high	26 Å²	26	43.9 Å²	43.9	17%	0.169	24%	0.24	C	C	.	.			trans	-68.9	158	-177.1	33.5	-36.5	0	0	0	111.7	N754 K759 P769 R847	N754-P757 WeakPolarHBondContact O-CD 3.46Å; P757-K759 WeakPolarHBondContact CB-O 3.24Å; P757-K759 WeakPolarHBondContact CG-O 3.25Å; P757-K759 PolarHBondContact O-N 3.42Å; P757-P769 HydrophobicContact CG-CB 4.3Å; P757-P769 HydrophobicContact CG-CG 3.77Å; P757-R847 HydrophobicContact CB-CB 4.4Å; P757-R847 HydrophobicContact CB-CG 3.79Å
758	T	96.2	Very high	97	Very high	64 Å²	64	49.8 Å²	49.8	39%	0.393	26%	0.262	S	S	.	.	S	Bend	trans	-59.7	-31.6	174.6	51.1	0	0	0	0	113.4	R847 E853	T758-R847 PolarHBondContact OG1-NH2 3.3Å; T758-E853 WeakPolarHBondContact CB-OE1 3.29Å; T758-E853 WeakPolarHBondContact CG2-OE1 3.48Å; T758-E853 PolarHBondContact OG1-OE1 2.87Å; T758-E853 PolarHBondContact OG1-OE2 3.48Å
759	K	97.7	Very high	97	Very high	116 Å²	116	51 Å²	51	50%	0.504	27%	0.269	S	S	.	.			trans	-146.4	158.5	-179.7	-67.5	-62.8	176.6	-177	0	111	P757 Y848 L850	P757-K759 WeakPolarHBondContact CB-O 3.24Å; P757-K759 WeakPolarHBondContact CG-O 3.25Å; P757-K759 PolarHBondContact O-N 3.42Å; K759-Y848 WeakPolarHBondContact CB-O 3.04Å; K759-L850 HydrophobicContact CG-CD2 3.94Å
760	Q	97.1	Very high	97	Very high	79 Å²	79	52.3 Å²	52.3	37%	0.369	28%	0.275	S	S	.	.			trans	-133.2	141.2	178.3	178	178	-32.2	0	0	108.6	A762 Y766	Q760-A762 PolarHBondContact O-N 2.96Å; Q760-Y766 HydrophobicContact CG-CD1 3.94Å; Q760-Y766 HydrophobicContact CG-CE1 4.04Å; Q760-Y766 PolarHBondContact NE2-O 3.27Å
761	T	97.6	Very high	97	Very high	14 Å²	14	50 Å²	50	9%	0.086	27%	0.267	C	S	.	.			trans	-68.9	128.1	172.7	-64.5	0	0	0	0	110.2	V665 F763 G843 N845 P846	V665-T761 HydrophobicContact CG1-CG2 4.23Å; V665-T761 HydrophobicContact CG2-CG2 3.91Å; T761-F763 PolarHBondContact O-N 3.05Å; T761-G843 WeakPolarHBondContact CG2-O 3.38Å; T761-N845 PolarHBondContact OG1-O 3.15Å; T761-P846 PolarHBondContact N-O 3.47Å
762	A	97.1	Very high	97	Very high	96 Å²	96	53.6 Å²	53.6	79%	0.793	28%	0.281	S	S	*	.			trans	-79.5	80.5	-175.3	0	0	0	0	0	111.2	Q760	Q760-A762 PolarHBondContact O-N 2.96Å
763	F	97.8	Very high	97	Very high	32 Å²	32	58 Å²	58	14%	0.14	30%	0.297	C	S	.	.			trans	-124.8	128.9	178.6	-160.1	-108.7	0	0	0	110.8	N450 L452 V665 L666 T761 Q765 Y766	N450-F763 HydrophobicContact CB-CE2 3.9Å; N450-F763 HydrophobicContact CB-CZ 3.81Å; L452-F763 HydrophobicContact CD2-CE1 4.22Å; L452-F763 HydrophobicContact CD2-CZ 3.86Å; V665-F763 HydrophobicContact CB-CB 4.28Å; V665-F763 HydrophobicContact CG2-CB 4.28Å; V665-F763 HydrophobicContact CG2-CG 4.43Å; V665-F763 VanDerWaalsContact O-CD1 3.28Å; V665-F763 WeakPolarHBondContact O-CD1 3.41Å; L666-F763 HydrophobicContact CD2-CD1 4.2Å; L666-F763 HydrophobicContact CD2-CD2 3.97Å; L666-F763 HydrophobicContact CD2-CE1 3.7Å; L666-F763 HydrophobicContact CD2-CE2 3.43Å; L666-F763 VanDerWaalsContact CD2-CE2 3.43Å; L666-F763 HydrophobicContact CD2-CG 4.33Å; L666-F763 HydrophobicContact CD2-CZ 3.29Å; T761-F763 PolarHBondContact O-N 3.05Å; F763-Q765 VanDerWaalsContact C-N 3.29Å; F763-Q765 HydrophobicContact CD1-CB 3.89Å; F763-Q765 HydrophobicContact CE1-CB 3.86Å; F763-Q765 PolarHBondContact O-N 3.18Å; F763-Y766 WeakPolarHBondContact O-CA 3.35Å; F763-Y766 WeakPolarHBondContact O-CB 3.49Å; F763-Y766 PolarHBondContact O-N 2.99Å
764	S	97	Very high	97	Very high	38 Å²	38	58.9 Å²	58.9	27%	0.266	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-31.5	-169.8	53.3	0	0	0	0	114.8	A448 E449 N450	A448-S764 WeakPolarHBondContact O-CB 3.3Å; A448-S764 PolarHBondContact O-OG 2.78Å; E449-S764 WeakPolarHBondContact CA-OG 3.45Å; N450-S764 PolarHBondContact N-OG 2.93Å
765	Q	96.6	Very high	97.2	Very high	55 Å²	55	57.5 Å²	57.5	26%	0.257	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-22.9	176.3	-168.9	-170.5	9.7	0	0	111.5	E449 F763 D767	E449-Q765 HydrophobicContact CG-CB 4.44Å; F763-Q765 VanDerWaalsContact C-N 3.29Å; F763-Q765 HydrophobicContact CD1-CB 3.89Å; F763-Q765 HydrophobicContact CE1-CB 3.86Å; F763-Q765 PolarHBondContact O-N 3.18Å; Q765-D767 PolarHBondContact O-N 3.24Å; Q765-D767 VanDerWaalsContact O-N 3.12Å
766	Y	97.6	Very high	97.3	Very high	15 Å²	15	53.9 Å²	53.9	6%	0.059	27%	0.273	C	S	.	.			trans	-85.7	81.1	178.7	-159.6	-107.4	0	0	0	110.5	V665 Q760 F763 R768 P769 Q770 P846	V665-Y766 HydrophobicContact CB-CD2 4.12Å; V665-Y766 HydrophobicContact CB-CG 4.13Å; V665-Y766 HydrophobicContact CG1-CD1 4.03Å; V665-Y766 HydrophobicContact CG1-CD2 3.89Å; V665-Y766 HydrophobicContact CG1-CE1 4.34Å; V665-Y766 HydrophobicContact CG1-CE2 4.19Å; V665-Y766 HydrophobicContact CG1-CG 3.81Å; Q760-Y766 HydrophobicContact CG-CD1 3.94Å; Q760-Y766 HydrophobicContact CG-CE1 4.04Å; Q760-Y766 PolarHBondContact NE2-O 3.27Å; F763-Y766 WeakPolarHBondContact O-CA 3.35Å; F763-Y766 WeakPolarHBondContact O-CB 3.49Å; F763-Y766 PolarHBondContact O-N 2.99Å; Y766-R768 VanDerWaalsContact CE1-O 3.3Å; Y766-R768 WeakPolarHBondContact CE1-O 3.31Å; Y766-R768 PolarHBondContact O-N 3.46Å; Y766-P769 WeakPolarHBondContact OH-CA 3.43Å; Y766-Q770 HydrophobicContact CE2-CB 4.49Å; Y766-Q770 PolarHBondContact OH-N 3.44Å; Y766-P846 HydrophobicContact CE1-CB 4.42Å; Y766-P846 WeakPolarHBondContact OH-CB 3.45Å
767	D	95.9	Very high	97.5	Very high	81 Å²	81	50.4 Å²	50.4	43%	0.433	25%	0.253	S	S	.	.			trans	-59.1	-40.2	-172.5	64.9	-9.3	0	0	0	114.6	Q765 Q770	Q765-D767 PolarHBondContact O-N 3.24Å; Q765-D767 VanDerWaalsContact O-N 3.12Å; D767-Q770 PolarHBondContact OD1-NE2 3.06Å; D767-Q770 PolarHBondContact OD2-NE2 3.38Å
768	R	97.4	Very high	97.6	Very high	132 Å²	132	49.1 Å²	49.1	50%	0.498	25%	0.245	S	C	.	.	S	Bend	trans	-159.9	171.6	179	67.8	-177	171.4	-71.6	-5.7	109.5	Y766 Q770	Y766-R768 VanDerWaalsContact CE1-O 3.3Å; Y766-R768 WeakPolarHBondContact CE1-O 3.31Å; Y766-R768 PolarHBondContact O-N 3.46Å; R768-Q770 HydrophobicContact CG-CG 4.33Å; R768-Q770 WeakPolarHBondContact O-CG 3.47Å; R768-Q770 PolarHBondContact O-N 2.96Å
769	P	97.8	Very high	97.7	Very high	24 Å²	24	46.1 Å²	46.1	16%	0.156	23%	0.226	C	C	.	.			trans	-58	122.6	170.8	-24.4	37.4	0	0	0	110.9	P757 Y766	P757-P769 HydrophobicContact CG-CB 4.3Å; P757-P769 HydrophobicContact CG-CG 3.77Å; Y766-P769 WeakPolarHBondContact OH-CA 3.43Å
770	Q	97.8	Very high	97.7	Very high	28 Å²	28	43.5 Å²	43.5	13%	0.131	22%	0.218	C	C	.	.			trans	-125.2	-3.6	178.4	-64.7	-179.6	4.7	0	0	112.2	Y766 D767 R768 R772 R773 R774	Y766-Q770 HydrophobicContact CE2-CB 4.49Å; Y766-Q770 PolarHBondContact OH-N 3.44Å; D767-Q770 PolarHBondContact OD1-NE2 3.06Å; D767-Q770 PolarHBondContact OD2-NE2 3.38Å; R768-Q770 HydrophobicContact CG-CG 4.33Å; R768-Q770 WeakPolarHBondContact O-CG 3.47Å; R768-Q770 PolarHBondContact O-N 2.96Å; Q770-R772 VanDerWaalsContact C-N 3.27Å; Q770-R772 PolarHBondContact O-N 2.82Å; Q770-R773 VanDerWaalsContact CD-NH2 3.35Å; Q770-R773 WeakPolarHBondContact O-CB 3.31Å; Q770-R773 PolarHBondContact O-N 3.36Å; Q770-R774 HydrophobicContact CB-CG 4.24Å; Q770-R774 WeakPolarHBondContact O-CG 3.5Å; Q770-R774 PolarHBondContact O-N 2.91Å
771	A	98.2	Very high	97.8	Very high	2 Å²	2	43.5 Å²	43.5	2%	0.017	22%	0.218	C	C	.	.	H	α-helix	trans	-56.6	-40	-172.2	0	0	0	0	0	112.6	V663 N752 R773 R774 Y775 P846	V663-A771 VanDerWaalsContact CG2-CA 3.49Å; V663-A771 HydrophobicContact CG2-CB 3.45Å; V663-A771 VanDerWaalsContact CG2-CB 3.45Å; N752-A771 HydrophobicContact CB-CB 4.28Å; N752-A771 WeakPolarHBondContact O-CB 3.33Å; A771-R773 PolarHBondContact O-N 2.97Å; A771-R774 PolarHBondContact O-N 3.29Å; A771-Y775 HydrophobicContact CB-CE2 4.41Å; A771-Y775 WeakPolarHBondContact O-CD2 3.05Å; A771-Y775 PolarHBondContact O-N 3.46Å; A771-P846 HydrophobicContact CB-CB 4.14Å; A771-P846 HydrophobicContact CB-CG 4.3Å
772	R	98	Very high	97.8	Very high	75 Å²	75	43.2 Å²	43.2	28%	0.283	22%	0.215	S	C	.	.	H	α-helix	trans	-59	-45.5	174.9	-167.2	179	-177.5	73.5	-1.6	112.5	A753 D755 Q770 A776 T791 I795	A753-R772 HydrophobicContact CB-CB 4.5Å; A753-R772 HydrophobicContact CB-CG 4.47Å; A753-R772 PolarHBondContact O-NH1 3.29Å; D755-R772 VanDerWaalsContact OD1-CB 3.26Å; D755-R772 WeakPolarHBondContact OD1-CB 3.33Å; D755-R772 WeakPolarHBondContact OD2-CD 3.34Å; Q770-R772 VanDerWaalsContact C-N 3.27Å; Q770-R772 PolarHBondContact O-N 2.82Å; R772-A776 PolarHBondContact O-N 3.31Å; R772-T791 HydrophobicContact CG-CG2 4.04Å; R772-I795 HydrophobicContact CB-CD1 4.37Å; R772-I795 HydrophobicContact CG-CD1 3.52Å; R772-I795 WeakPolarHBondContact O-CD1 3.41Å
773	R	98.1	Very high	97.8	Very high	95 Å²	95	41.4 Å²	41.4	36%	0.358	21%	0.207	S	C	.	.	H	α-helix	trans	-66	-46.4	175.9	-169.7	-167.9	73.9	-139.6	-10.3	111	Q770 A771 Y775 A776 E777	Q770-R773 VanDerWaalsContact CD-NH2 3.35Å; Q770-R773 WeakPolarHBondContact O-CB 3.31Å; Q770-R773 PolarHBondContact O-N 3.36Å; A771-R773 PolarHBondContact O-N 2.97Å; R773-Y775 PolarHBondContact O-N 3.39Å; R773-A776 WeakPolarHBondContact O-CA 3.23Å; R773-A776 WeakPolarHBondContact O-CB 3.21Å; R773-A776 PolarHBondContact O-N 3.35Å; R773-E777 WeakPolarHBondContact CD-OE1 3.2Å; R773-E777 WeakPolarHBondContact CG-OE1 3.34Å; R773-E777 IonicContact CZ-OE1 2.78Å; R773-E777 IonicContact NE-OE1 2.64Å; R773-E777 PolarHBondContact NE-OE1 2.85Å; R773-E777 IonicContact NH2-OE1 3.77Å; R773-E777 WeakPolarHBondContact O-CG 3.45Å; R773-E777 PolarHBondContact O-N 2.88Å
774	R	98.5	Very high	97.8	Very high	24 Å²	24	41.7 Å²	41.7	9%	0.091	21%	0.209	C	C	.	.	H	α-helix	trans	-63.4	-38.1	-177.7	-68.5	-178.1	73.3	76.9	4.8	112.4	Y662 V663 D672 Q770 A771 A776 E777 I778	Y662-R774 HydrophobicContact CD1-CB 4.13Å; Y662-R774 HydrophobicContact CE1-CB 3.97Å; Y662-R774 HydrophobicContact CE1-CG 4.47Å; Y662-R774 WeakPolarHBondContact CE1-O 3.41Å; Y662-R774 PolarHBondContact O-NE 2.93Å; Y662-R774 PolarHBondContact O-NH2 3.38Å; V663-R774 HydrophobicContact CG2-CB 4.24Å; D672-R774 IonicContact OD1-NH2 3.55Å; D672-R774 PolarHBondContact OD1-NH2 3.01Å; D672-R774 IonicContact OD2-CZ 3.78Å; D672-R774 IonicContact OD2-NH1 3.38Å; D672-R774 PolarHBondContact OD2-NH1 3.3Å; D672-R774 IonicContact OD2-NH2 3.64Å; D672-R774 PolarHBondContact OD2-NH2 3.47Å; Q770-R774 HydrophobicContact CB-CG 4.24Å; Q770-R774 WeakPolarHBondContact O-CG 3.5Å; Q770-R774 PolarHBondContact O-N 2.91Å; A771-R774 PolarHBondContact O-N 3.29Å; R774-A776 VanDerWaalsContact C-N 3.33Å; R774-A776 PolarHBondContact O-N 3.07Å; R774-E777 WeakPolarHBondContact O-CB 3.48Å; R774-E777 PolarHBondContact O-N 3.31Å; R774-I778 PolarHBondContact O-N 2.93Å
775	Y	98.7	Very high	97.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.4	-33.6	171.4	-71	-49.3	0	0	0	113.2	M659 V663 I749 N752 A753 A771 R773 I778 A779 L798	M659-Y775 HydrophobicContact CG-CD1 4.28Å; M659-Y775 HydrophobicContact CG-CE1 3.78Å; M659-Y775 HydrophobicContact SD-CD1 3.89Å; M659-Y775 HydrophobicContact SD-CE1 4.03Å; V663-Y775 HydrophobicContact CB-CD1 4.44Å; V663-Y775 HydrophobicContact CB-CE1 3.76Å; V663-Y775 HydrophobicContact CG1-CE1 3.89Å; V663-Y775 VanDerWaalsContact CG1-OH 3.25Å; V663-Y775 WeakPolarHBondContact CG1-OH 2.97Å; V663-Y775 HydrophobicContact CG2-CD1 4.35Å; V663-Y775 HydrophobicContact CG2-CD2 4.24Å; V663-Y775 HydrophobicContact CG2-CE1 3.89Å; V663-Y775 HydrophobicContact CG2-CE2 3.84Å; I749-Y775 HydrophobicContact CB-CE2 4.28Å; I749-Y775 HydrophobicContact CG1-CD1 4.31Å; I749-Y775 HydrophobicContact CG1-CE1 3.87Å; I749-Y775 HydrophobicContact CG1-CE2 4.28Å; I749-Y775 HydrophobicContact CG2-CD1 4.49Å; I749-Y775 HydrophobicContact CG2-CD2 3.94Å; I749-Y775 HydrophobicContact CG2-CE2 4.05Å; I749-Y775 HydrophobicContact CG2-CG 4.16Å; N752-Y775 HydrophobicContact CB-CE2 3.81Å; N752-Y775 PolarHBondContact ND2-OH 3.03Å; A753-Y775 HydrophobicContact CB-CD2 4.05Å; A753-Y775 HydrophobicContact CB-CE2 4.46Å; A771-Y775 HydrophobicContact CB-CE2 4.41Å; A771-Y775 WeakPolarHBondContact O-CD2 3.05Å; A771-Y775 PolarHBondContact O-N 3.46Å; R773-Y775 PolarHBondContact O-N 3.39Å; Y775-I778 HydrophobicContact CD1-CD1 4.18Å; Y775-I778 WeakPolarHBondContact O-CB 3.4Å; Y775-I778 PolarHBondContact O-N 2.91Å; Y775-A779 PolarHBondContact O-N 3.2Å; Y775-L798 HydrophobicContact CD1-CD2 4.4Å
776	A	98.3	Very high	97.5	Very high	5 Å²	5	41 Å²	41	4%	0.041	21%	0.213	C	C	.	.	H	α-helix	trans	-69.4	-35.5	174.9	0	0	0	0	0	112.6	R772 R773 R774 I778 A779 D780 T791 K794	R772-A776 PolarHBondContact O-N 3.31Å; R773-A776 WeakPolarHBondContact O-CA 3.23Å; R773-A776 WeakPolarHBondContact O-CB 3.21Å; R773-A776 PolarHBondContact O-N 3.35Å; R774-A776 VanDerWaalsContact C-N 3.33Å; R774-A776 PolarHBondContact O-N 3.07Å; A776-I778 VanDerWaalsContact C-N 3.27Å; A776-I778 PolarHBondContact O-N 3.23Å; A776-A779 WeakPolarHBondContact O-CB 3.47Å; A776-A779 PolarHBondContact O-N 3.31Å; A776-A779 VanDerWaalsContact O-N 3.16Å; A776-D780 PolarHBondContact O-N 3.45Å; A776-T791 HydrophobicContact CB-CG2 3.61Å; A776-K794 HydrophobicContact CB-CB 3.87Å; A776-K794 HydrophobicContact CB-CD 3.84Å
777	E	98.2	Very high	97.1	Very high	57 Å²	57	47 Å²	47	27%	0.266	25%	0.254	S	S	.	.	H	α-helix	trans	-60.3	-37.5	173.1	-68.9	159.9	-169.4	0	0	111.3	Y662 R773 R774 D780 H781	Y662-E777 HydrophobicContact CE1-CB 4.2Å; Y662-E777 PolarHBondContact OH-OE2 3.44Å; Y662-E777 VanDerWaalsContact OH-OE2 3.09Å; R773-E777 WeakPolarHBondContact CD-OE1 3.2Å; R773-E777 WeakPolarHBondContact CG-OE1 3.34Å; R773-E777 IonicContact CZ-OE1 2.78Å; R773-E777 IonicContact NE-OE1 2.64Å; R773-E777 PolarHBondContact NE-OE1 2.85Å; R773-E777 IonicContact NH2-OE1 3.77Å; R773-E777 WeakPolarHBondContact O-CG 3.45Å; R773-E777 PolarHBondContact O-N 2.88Å; R774-E777 WeakPolarHBondContact O-CB 3.48Å; R774-E777 PolarHBondContact O-N 3.31Å; E777-D780 PolarHBondContact O-N 2.83Å; E777-H781 WeakPolarHBondContact O-CB 3.41Å; E777-H781 PolarHBondContact O-N 3.47Å
778	I	98.7	Very high	96.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.9	-49.2	171.5	-65	172.7	0	0	0	110.8	M659 Y662 L676 L679 R774 Y775 A776 D780 H781 L782 L798	M659-I778 HydrophobicContact CE-CG2 4.27Å; M659-I778 HydrophobicContact SD-CD1 3.36Å; M659-I778 WeakPolarHBondContact SD-CD1 3.25Å; M659-I778 HydrophobicContact SD-CG2 4.14Å; Y662-I778 HydrophobicContact CD1-CD1 3.68Å; Y662-I778 HydrophobicContact CD1-CG1 3.66Å; Y662-I778 HydrophobicContact CE1-CD1 4.46Å; Y662-I778 HydrophobicContact CE1-CG1 3.98Å; Y662-I778 HydrophobicContact CG-CD1 4.11Å; Y662-I778 HydrophobicContact CG-CG1 4.21Å; L676-I778 HydrophobicContact CD2-CB 4.47Å; L676-I778 HydrophobicContact CD2-CG1 3.85Å; L679-I778 HydrophobicContact CD1-CD1 4.08Å; L679-I778 HydrophobicContact CD1-CG1 4.3Å; L679-I778 HydrophobicContact CD1-CG2 3.82Å; R774-I778 PolarHBondContact O-N 2.93Å; Y775-I778 HydrophobicContact CD1-CD1 4.18Å; Y775-I778 WeakPolarHBondContact O-CB 3.4Å; Y775-I778 PolarHBondContact O-N 2.91Å; A776-I778 VanDerWaalsContact C-N 3.27Å; A776-I778 PolarHBondContact O-N 3.23Å; I778-D780 VanDerWaalsContact C-N 3.28Å; I778-D780 PolarHBondContact O-N 2.8Å; I778-H781 PolarHBondContact O-N 2.76Å; I778-H781 VanDerWaalsContact O-N 3.15Å; I778-L782 HydrophobicContact CG2-CD1 3.78Å; I778-L782 HydrophobicContact CG2-CG 4.22Å; I778-L782 VanDerWaalsContact O-CG 3.28Å; I778-L782 WeakPolarHBondContact O-CG 3.4Å; I778-L782 PolarHBondContact O-N 2.83Å; I778-L798 HydrophobicContact CG2-CD1 3.87Å; I778-L798 HydrophobicContact CG2-CD2 4.44Å
779	A	98.4	Very high	96.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.3	-39.8	-179.7	0	0	0	0	0	112.5	Y775 A776 G783 L784 K794 L798	Y775-A779 PolarHBondContact O-N 3.2Å; A776-A779 WeakPolarHBondContact O-CB 3.47Å; A776-A779 PolarHBondContact O-N 3.31Å; A776-A779 VanDerWaalsContact O-N 3.16Å; A779-G783 PolarHBondContact O-N 2.89Å; A779-L784 HydrophobicContact CB-CB 4.43Å; A779-L784 WeakPolarHBondContact O-CB 3.2Å; A779-L784 PolarHBondContact O-N 2.8Å; A779-K794 HydrophobicContact CB-CB 4.05Å; A779-K794 WeakPolarHBondContact CB-O 3.37Å; A779-L798 HydrophobicContact CB-CB 4.25Å
780	D	98	Very high	96.6	Very high	62 Å²	62	51.2 Å²	51.2	33%	0.332	29%	0.289	S	S	.	.	H	α-helix	trans	-63.9	-47.2	174.7	-67.3	-21.2	0	0	0	111.1	A776 E777 I778 L782 G783 S785 K794	A776-D780 PolarHBondContact O-N 3.45Å; E777-D780 PolarHBondContact O-N 2.83Å; I778-D780 VanDerWaalsContact C-N 3.28Å; I778-D780 PolarHBondContact O-N 2.8Å; D780-L782 VanDerWaalsContact C-N 3.27Å; D780-L782 PolarHBondContact O-N 2.8Å; D780-G783 PolarHBondContact O-N 3.19Å; D780-S785 WeakPolarHBondContact OD1-CB 3.46Å; D780-S785 PolarHBondContact OD1-OG 3.06Å; D780-K794 VanDerWaalsContact OD1-CD 3.27Å; D780-K794 WeakPolarHBondContact OD1-CD 3.43Å; D780-K794 WeakPolarHBondContact OD1-CE 3.26Å; D780-K794 IonicContact OD1-NZ 2.77Å; D780-K794 PolarHBondContact OD1-NZ 2.76Å; D780-K794 IonicContact OD2-NZ 2.82Å; D780-K794 PolarHBondContact OD2-NZ 3.38Å
781	H	98	Very high	96.5	Very high	78 Å²	78	52.9 Å²	52.9	36%	0.361	30%	0.3	S	S	.	.	H	α-helix	trans	-60.9	-35.9	179.8	-172.2	85.4	0	0	0	112.8	L676 E777 I778 G783	L676-H781 HydrophobicContact CD2-CB 4.06Å; E777-H781 WeakPolarHBondContact O-CB 3.41Å; E777-H781 PolarHBondContact O-N 3.47Å; I778-H781 PolarHBondContact O-N 2.76Å; I778-H781 VanDerWaalsContact O-N 3.15Å; H781-G783 VanDerWaalsContact C-N 3.26Å; H781-G783 PolarHBondContact O-N 2.9Å
782	L	98.3	Very high	96.3	Very high	8 Å²	8	54.6 Å²	54.6	4%	0.042	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-5.1	179.1	-63.6	-177.4	0	0	0	113.7	L679 K680 K683 I778 D780 L784 L798 W801	L679-L782 HydrophobicContact CB-CD2 4.03Å; K680-L782 HydrophobicContact CB-CD2 4.07Å; K683-L782 HydrophobicContact CB-CD2 4.47Å; K683-L782 HydrophobicContact CD-CB 3.87Å; K683-L782 HydrophobicContact CD-CD1 4.49Å; K683-L782 HydrophobicContact CD-CD2 4.29Å; K683-L782 HydrophobicContact CD-CG 4.43Å; K683-L782 VanDerWaalsContact CE-O 3.24Å; K683-L782 WeakPolarHBondContact CE-O 3.41Å; K683-L782 PolarHBondContact NZ-O 2.94Å; I778-L782 HydrophobicContact CG2-CD1 3.78Å; I778-L782 HydrophobicContact CG2-CG 4.22Å; I778-L782 VanDerWaalsContact O-CG 3.28Å; I778-L782 WeakPolarHBondContact O-CG 3.4Å; I778-L782 PolarHBondContact O-N 2.83Å; D780-L782 VanDerWaalsContact C-N 3.27Å; D780-L782 PolarHBondContact O-N 2.8Å; L782-L784 HydrophobicContact CB-CD1 4.24Å; L782-L784 HydrophobicContact CB-CG 4.01Å; L782-L784 HydrophobicContact CD1-CD1 4.4Å; L782-L798 HydrophobicContact CD1-CD1 4.17Å; L782-W801 HydrophobicContact CD1-CE3 4.16Å; L782-W801 HydrophobicContact CD1-CH2 4.04Å; L782-W801 HydrophobicContact CD1-CZ3 3.82Å
783	G	97.5	Very high	96.2	Very high	59 Å²	59	52.7 Å²	52.7	61%	0.608	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.3	30.2	-178.3	0	0	0	0	0	113.5	A779 D780 H781	A779-G783 PolarHBondContact O-N 2.89Å; D780-G783 PolarHBondContact O-N 3.19Å; H781-G783 VanDerWaalsContact C-N 3.26Å; H781-G783 PolarHBondContact O-N 2.9Å
784	L	97.5	Very high	96.3	Very high	38 Å²	38	50 Å²	50	20%	0.199	31%	0.306	C	S	.	.			trans	-86.5	-29.6	178.6	-60.3	177.6	0	0	0	112	A779 L782 K797 L798 W801	A779-L784 HydrophobicContact CB-CB 4.43Å; A779-L784 WeakPolarHBondContact O-CB 3.2Å; A779-L784 PolarHBondContact O-N 2.8Å; L782-L784 HydrophobicContact CB-CD1 4.24Å; L782-L784 HydrophobicContact CB-CG 4.01Å; L782-L784 HydrophobicContact CD1-CD1 4.4Å; L784-K797 HydrophobicContact CB-CB 4.36Å; L784-K797 VanDerWaalsContact O-CD 3.26Å; L784-K797 WeakPolarHBondContact O-CD 3.43Å; L784-L798 HydrophobicContact CD1-CD1 3.99Å; L784-W801 HydrophobicContact CD1-CB 3.76Å; L784-W801 HydrophobicContact CD1-CD2 4.36Å; L784-W801 HydrophobicContact CD1-CE3 4.38Å; L784-W801 HydrophobicContact CD1-CG 4.11Å; L784-W801 HydrophobicContact CD2-CB 4.01Å; L784-W801 HydrophobicContact CD2-CG 4.23Å
785	S	94.8	Very high	96.2	Very high	37 Å²	37	49 Å²	49	26%	0.259	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-77.4	151.6	-177.2	61	0	0	0	0	113.4	D780 D789	D780-S785 WeakPolarHBondContact OD1-CB 3.46Å; D780-S785 PolarHBondContact OD1-OG 3.06Å; S785-D789 WeakPolarHBondContact CA-OD2 3.05Å
786	A	91.2	Very high	96.2	Very high	42 Å²	42	54.1 Å²	54.1	35%	0.347	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-103.5	154.3	165.4	0	0	0	0	0	110.8	G788 D789	A786-G788 PolarHBondContact O-N 2.82Å; A786-D789 PolarHBondContact N-OD2 2.84Å; A786-D789 WeakPolarHBondContact O-CB 3.32Å; A786-D789 PolarHBondContact O-N 2.75Å; A786-D789 VanDerWaalsContact O-N 3.15Å
787	P	89.9	Confident	96.2	Very high	139 Å²	139	57.2 Å²	57.2	90%	0.903	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	127.6	170.8	-25.4	34.5	0	0	0	111.5
788	G	90.2	Very high	96.2	Very high	80 Å²	80	54.5 Å²	54.5	83%	0.825	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.3	-4.4	179.9	0	0	0	0	0	115.9	A786 R790	A786-G788 PolarHBondContact O-N 2.82Å; G788-R790 PolarHBondContact O-N 2.83Å
789	D	94.8	Very high	96.2	Very high	41 Å²	41	54.6 Å²	54.6	22%	0.219	33%	0.327	C	S	.	.			trans	-58.4	133.7	175.3	-80.8	-20.6	0	0	0	112	S785 A786 A793 K794 K797	S785-D789 WeakPolarHBondContact CA-OD2 3.05Å; A786-D789 PolarHBondContact N-OD2 2.84Å; A786-D789 WeakPolarHBondContact O-CB 3.32Å; A786-D789 PolarHBondContact O-N 2.75Å; A786-D789 VanDerWaalsContact O-N 3.15Å; D789-A793 HydrophobicContact CB-CB 4.38Å; D789-K794 HydrophobicContact CB-CG 3.82Å; D789-K797 VanDerWaalsContact CG-NZ 3.35Å; D789-K797 IonicContact OD1-NZ 2.86Å; D789-K797 PolarHBondContact OD1-NZ 3.01Å; D789-K797 WeakPolarHBondContact OD2-CE 3.38Å; D789-K797 IonicContact OD2-NZ 3.24Å; D789-K797 PolarHBondContact OD2-NZ 3.46Å
790	R	95.8	Very high	96.2	Very high	206 Å²	206	57.1 Å²	57.1	78%	0.777	35%	0.347	S	S	*	.			trans	-69.1	151.4	168	-58.4	-71.9	-106.2	173.1	-3.8	109.3	G788 A792 A793 K794	G788-R790 PolarHBondContact O-N 2.83Å; R790-A792 PolarHBondContact O-N 2.93Å; R790-A793 WeakPolarHBondContact O-CB 3.45Å; R790-A793 PolarHBondContact O-N 3.44Å; R790-K794 PolarHBondContact O-N 3.39Å
791	T	94.7	Very high	96.2	Very high	62 Å²	62	55.6 Å²	55.6	38%	0.38	34%	0.337	S	S	.	.	H	α-helix	trans	-49.2	-39	177	-46.2	0	0	0	0	112.6	R772 A776 K794 I795	R772-T791 HydrophobicContact CG-CG2 4.04Å; A776-T791 HydrophobicContact CB-CG2 3.61Å; T791-K794 PolarHBondContact O-N 2.88Å; T791-I795 WeakPolarHBondContact O-CG1 3.27Å; T791-I795 PolarHBondContact O-N 3.38Å
792	A	94.7	Very high	96.2	Very high	39 Å²	39	51.9 Å²	51.9	32%	0.322	32%	0.32	S	S	.	.	H	α-helix	trans	-58	-48.4	174.9	0	0	0	0	0	112.9	R790 K794 I795 E796	R790-A792 PolarHBondContact O-N 2.93Å; A792-K794 VanDerWaalsContact C-N 3.3Å; A792-K794 PolarHBondContact O-N 2.77Å; A792-I795 PolarHBondContact O-N 3.11Å; A792-E796 PolarHBondContact O-N 3.38Å
793	A	97.1	Very high	96.2	Very high	34 Å²	34	54.1 Å²	54.1	28%	0.281	33%	0.33	S	S	.	.	H	α-helix	trans	-65.7	-34.6	-178.4	0	0	0	0	0	111.8	D789 R790 I795 E796 K797	D789-A793 HydrophobicContact CB-CB 4.38Å; R790-A793 WeakPolarHBondContact O-CB 3.45Å; R790-A793 PolarHBondContact O-N 3.44Å; A793-I795 VanDerWaalsContact C-N 3.31Å; A793-I795 PolarHBondContact O-N 3.11Å; A793-E796 PolarHBondContact O-N 3.18Å; A793-K797 VanDerWaalsContact O-CG 3.32Å; A793-K797 WeakPolarHBondContact O-CG 3.44Å; A793-K797 PolarHBondContact O-N 3.17Å
794	K	98.3	Very high	96.3	Very high	39 Å²	39	55.6 Å²	55.6	17%	0.17	33%	0.327	C	S	.	.	H	α-helix	trans	-61.5	-40.7	174.7	-62.7	-179.5	174.6	-163	0	111.8	A776 A779 D780 D789 R790 T791 A792 K797 L798	A776-K794 HydrophobicContact CB-CB 3.87Å; A776-K794 HydrophobicContact CB-CD 3.84Å; A779-K794 HydrophobicContact CB-CB 4.05Å; A779-K794 WeakPolarHBondContact CB-O 3.37Å; D780-K794 VanDerWaalsContact OD1-CD 3.27Å; D780-K794 WeakPolarHBondContact OD1-CD 3.43Å; D780-K794 WeakPolarHBondContact OD1-CE 3.26Å; D780-K794 IonicContact OD1-NZ 2.77Å; D780-K794 PolarHBondContact OD1-NZ 2.76Å; D780-K794 IonicContact OD2-NZ 2.82Å; D780-K794 PolarHBondContact OD2-NZ 3.38Å; D789-K794 HydrophobicContact CB-CG 3.82Å; R790-K794 PolarHBondContact O-N 3.39Å; T791-K794 PolarHBondContact O-N 2.88Å; A792-K794 VanDerWaalsContact C-N 3.3Å; A792-K794 PolarHBondContact O-N 2.77Å; K794-K797 PolarHBondContact O-N 3.45Å; K794-L798 PolarHBondContact O-N 2.87Å
795	I	97.9	Very high	96.3	Very high	4 Å²	4	54 Å²	54	2%	0.021	32%	0.319	C	S	.	.	H	α-helix	trans	-68.6	-44.7	176.4	-61.8	172.9	0	0	0	110.7	I749 A753 R772 T791 A792 A793 K797 L798 L799	I749-I795 HydrophobicContact CG2-CG2 3.86Å; A753-I795 HydrophobicContact CB-CD1 3.79Å; A753-I795 HydrophobicContact CB-CG2 4.46Å; R772-I795 HydrophobicContact CB-CD1 4.37Å; R772-I795 HydrophobicContact CG-CD1 3.52Å; R772-I795 WeakPolarHBondContact O-CD1 3.41Å; T791-I795 WeakPolarHBondContact O-CG1 3.27Å; T791-I795 PolarHBondContact O-N 3.38Å; A792-I795 PolarHBondContact O-N 3.11Å; A793-I795 VanDerWaalsContact C-N 3.31Å; A793-I795 PolarHBondContact O-N 3.11Å; I795-K797 VanDerWaalsContact C-N 3.26Å; I795-K797 PolarHBondContact O-N 3.23Å; I795-L798 WeakPolarHBondContact O-CA 3.46Å; I795-L798 WeakPolarHBondContact O-CB 3.45Å; I795-L798 PolarHBondContact O-N 2.96Å; I795-L799 HydrophobicContact CG2-CD1 4Å; I795-L799 HydrophobicContact CG2-CG 4.33Å; I795-L799 VanDerWaalsContact O-CG 3.28Å; I795-L799 WeakPolarHBondContact O-CG 3.34Å; I795-L799 PolarHBondContact O-N 3.05Å
796	E	97.8	Very high	96.5	Very high	106 Å²	106	52.4 Å²	52.4	50%	0.495	31%	0.307	S	S	.	.	H	α-helix	trans	-59.1	-38	175.2	-66.3	-53.3	142	0	0	112.2	A792 A793 L799 A800	A792-E796 PolarHBondContact O-N 3.38Å; A793-E796 PolarHBondContact O-N 3.18Å; E796-L799 PolarHBondContact O-N 3.5Å; E796-A800 WeakPolarHBondContact O-CB 3.28Å; E796-A800 PolarHBondContact O-N 3.03Å
797	K	98.3	Very high	96.8	Very high	70 Å²	70	53 Å²	53	30%	0.304	31%	0.312	S	S	.	.	H	α-helix	trans	-68.7	-35	174.2	-70.4	-178.8	-176.3	-179.8	0	112.9	L784 D789 A793 K794 I795 A800 W801	L784-K797 HydrophobicContact CB-CB 4.36Å; L784-K797 VanDerWaalsContact O-CD 3.26Å; L784-K797 WeakPolarHBondContact O-CD 3.43Å; D789-K797 VanDerWaalsContact CG-NZ 3.35Å; D789-K797 IonicContact OD1-NZ 2.86Å; D789-K797 PolarHBondContact OD1-NZ 3.01Å; D789-K797 WeakPolarHBondContact OD2-CE 3.38Å; D789-K797 IonicContact OD2-NZ 3.24Å; D789-K797 PolarHBondContact OD2-NZ 3.46Å; A793-K797 VanDerWaalsContact O-CG 3.32Å; A793-K797 WeakPolarHBondContact O-CG 3.44Å; A793-K797 PolarHBondContact O-N 3.17Å; K794-K797 PolarHBondContact O-N 3.45Å; I795-K797 VanDerWaalsContact C-N 3.26Å; I795-K797 PolarHBondContact O-N 3.23Å; K797-A800 PolarHBondContact O-N 3.36Å; K797-W801 PolarHBondContact O-N 2.63Å
798	L	98.5	Very high	97.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62.7	-46.9	172.3	-176.3	66.9	0	0	0	111.1	M659 I749 Y775 I778 A779 L782 L784 K794 I795 W801 L802	M659-L798 HydrophobicContact CE-CD1 4.01Å; M659-L798 HydrophobicContact CE-CD2 4.15Å; M659-L798 HydrophobicContact CE-CG 4.33Å; M659-L798 HydrophobicContact SD-CD2 3.98Å; I749-L798 HydrophobicContact CD1-CD2 4.3Å; Y775-L798 HydrophobicContact CD1-CD2 4.4Å; I778-L798 HydrophobicContact CG2-CD1 3.87Å; I778-L798 HydrophobicContact CG2-CD2 4.44Å; A779-L798 HydrophobicContact CB-CB 4.25Å; L782-L798 HydrophobicContact CD1-CD1 4.17Å; L784-L798 HydrophobicContact CD1-CD1 3.99Å; K794-L798 PolarHBondContact O-N 2.87Å; I795-L798 WeakPolarHBondContact O-CA 3.46Å; I795-L798 WeakPolarHBondContact O-CB 3.45Å; I795-L798 PolarHBondContact O-N 2.96Å; L798-W801 HydrophobicContact CD1-CE3 3.82Å; L798-W801 HydrophobicContact CD1-CZ3 4.08Å; L798-W801 PolarHBondContact O-N 2.85Å; L798-L802 WeakPolarHBondContact O-CG 3.4Å; L798-L802 PolarHBondContact O-N 3.31Å
799	L	98.4	Very high	97.6	Very high	3 Å²	3	46.8 Å²	46.8	2%	0.016	25%	0.25	C	C	.	.	H	α-helix	trans	-63	-41.6	176.5	-64.5	169	0	0	0	111.6	C746 I749 R750 I795 E796 W801 L802 E803	C746-L799 HydrophobicContact CB-CD2 4.05Å; C746-L799 WeakPolarHBondContact O-CD2 3.08Å; I749-L799 HydrophobicContact CB-CD2 3.94Å; I749-L799 HydrophobicContact CD1-CD2 4.15Å; I749-L799 HydrophobicContact CG2-CD2 3.86Å; I749-L799 HydrophobicContact CG2-CG 4.4Å; R750-L799 HydrophobicContact CG-CD1 3.81Å; I795-L799 HydrophobicContact CG2-CD1 4Å; I795-L799 HydrophobicContact CG2-CG 4.33Å; I795-L799 VanDerWaalsContact O-CG 3.28Å; I795-L799 WeakPolarHBondContact O-CG 3.34Å; I795-L799 PolarHBondContact O-N 3.05Å; E796-L799 PolarHBondContact O-N 3.5Å; L799-W801 VanDerWaalsContact C-N 3.35Å; L799-W801 PolarHBondContact O-N 3.34Å; L799-L802 WeakPolarHBondContact O-CB 3.22Å; L799-L802 PolarHBondContact O-N 2.75Å; L799-E803 PolarHBondContact O-N 3.11Å
800	A	98.3	Very high	97.7	Very high	52 Å²	52	47.5 Å²	47.5	43%	0.43	27%	0.267	S	S	.	.	H	α-helix	trans	-62.7	-39.5	175.7	0	0	0	0	0	112.5	E796 K797 E803 T804	E796-A800 WeakPolarHBondContact O-CB 3.28Å; E796-A800 PolarHBondContact O-N 3.03Å; K797-A800 PolarHBondContact O-N 3.36Å; A800-E803 PolarHBondContact O-N 3.35Å; A800-T804 WeakPolarHBondContact O-CB 3.43Å; A800-T804 PolarHBondContact O-N 3.48Å; A800-T804 PolarHBondContact O-OG1 3.18Å
801	W	98.5	Very high	97.8	Very high	30 Å²	30	38.1 Å²	38.1	11%	0.114	23%	0.232	C	C	.	.	H	α-helix	trans	-62.3	-45.3	172.4	165.4	64.7	0	0	0	111.4	V655 M659 K683 L782 L784 K797 L798 L799 E803 T804 L805	V655-W801 HydrophobicContact CG1-CH2 4.18Å; V655-W801 HydrophobicContact CG1-CZ3 4.4Å; V655-W801 HydrophobicContact CG2-CH2 4.41Å; M659-W801 HydrophobicContact CE-CZ3 4.21Å; K683-W801 HydrophobicContact CB-CZ2 3.67Å; K683-W801 HydrophobicContact CG-CZ2 4.21Å; L782-W801 HydrophobicContact CD1-CE3 4.16Å; L782-W801 HydrophobicContact CD1-CH2 4.04Å; L782-W801 HydrophobicContact CD1-CZ3 3.82Å; L784-W801 HydrophobicContact CD1-CB 3.76Å; L784-W801 HydrophobicContact CD1-CD2 4.36Å; L784-W801 HydrophobicContact CD1-CE3 4.38Å; L784-W801 HydrophobicContact CD1-CG 4.11Å; L784-W801 HydrophobicContact CD2-CB 4.01Å; L784-W801 HydrophobicContact CD2-CG 4.23Å; K797-W801 PolarHBondContact O-N 2.63Å; L798-W801 HydrophobicContact CD1-CE3 3.82Å; L798-W801 HydrophobicContact CD1-CZ3 4.08Å; L798-W801 PolarHBondContact O-N 2.85Å; L799-W801 VanDerWaalsContact C-N 3.35Å; L799-W801 PolarHBondContact O-N 3.34Å; W801-E803 PolarHBondContact O-N 3.02Å; W801-T804 PolarHBondContact O-N 3.26Å; W801-L805 HydrophobicContact CH2-CD2 4.43Å; W801-L805 HydrophobicContact CZ2-CD2 3.86Å; W801-L805 VanDerWaalsContact O-CB 3.3Å; W801-L805 WeakPolarHBondContact O-CB 3.44Å; W801-L805 PolarHBondContact O-N 3.39Å
802	L	98.5	Very high	97.9	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-60.2	-44.9	176.3	-71.2	169.9	0	0	0	111.8	V655 I745 I749 L798 L799 T804 L805 K806	V655-L802 HydrophobicContact CG1-CD2 3.72Å; I745-L802 HydrophobicContact CG2-CD1 4.45Å; I749-L802 HydrophobicContact CD1-CD1 3.52Å; L798-L802 WeakPolarHBondContact O-CG 3.4Å; L798-L802 PolarHBondContact O-N 3.31Å; L799-L802 WeakPolarHBondContact O-CB 3.22Å; L799-L802 PolarHBondContact O-N 2.75Å; L802-T804 VanDerWaalsContact C-N 3.34Å; L802-T804 PolarHBondContact O-N 2.99Å; L802-L805 PolarHBondContact O-N 3.41Å; L802-K806 VanDerWaalsContact O-CB 3.29Å; L802-K806 WeakPolarHBondContact O-CB 3.33Å; L802-K806 WeakPolarHBondContact O-CD 3.01Å; L802-K806 WeakPolarHBondContact O-CG 3.38Å; L802-K806 PolarHBondContact O-N 3.42Å
803	E	98.2	Very high	98.1	Very high	54 Å²	54	39 Å²	39	25%	0.252	23%	0.226	S	C	.	.	H	α-helix	trans	-66	-34.9	178.1	-77.3	-55.5	144.2	0	0	113.5	C746 L799 A800 W801 K806 A807 K813	C746-E803 PolarHBondContact SG-OE1 2.76Å; L799-E803 PolarHBondContact O-N 3.11Å; A800-E803 PolarHBondContact O-N 3.35Å; W801-E803 PolarHBondContact O-N 3.02Å; E803-K806 IonicContact OE1-NZ 3.75Å; E803-K806 PolarHBondContact OE1-NZ 3.49Å; E803-K806 IonicContact OE2-NZ 3.24Å; E803-A807 WeakPolarHBondContact O-CB 3.2Å; E803-A807 PolarHBondContact O-N 2.9Å; E803-K813 PolarHBondContact O-NZ 3.29Å; E803-K813 IonicContact OE2-NZ 3.23Å; E803-K813 PolarHBondContact OE2-NZ 3.11Å
804	T	98.4	Very high	98.1	Very high	91 Å²	91	37.6 Å²	37.6	56%	0.558	22%	0.215	S	C	*	.	H	α-helix	trans	-67.1	-48.1	173.9	-57.2	0	0	0	0	110.5	A800 W801 L802 A807 E808	A800-T804 WeakPolarHBondContact O-CB 3.43Å; A800-T804 PolarHBondContact O-N 3.48Å; A800-T804 PolarHBondContact O-OG1 3.18Å; W801-T804 PolarHBondContact O-N 3.26Å; L802-T804 VanDerWaalsContact C-N 3.34Å; L802-T804 PolarHBondContact O-N 2.99Å; T804-A807 PolarHBondContact O-N 3.46Å; T804-E808 WeakPolarHBondContact O-CB 3.41Å; T804-E808 PolarHBondContact O-N 3.33Å
805	L	98.3	Very high	98.1	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.016	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-47.6	177.6	-178.4	63.6	0	0	0	111.1	L652 V655 L686 P687 W801 L802 A807 E808 L809	L652-L805 HydrophobicContact CD2-CD2 3.87Å; L652-L805 HydrophobicContact CD2-CG 4.14Å; V655-L805 HydrophobicContact CG2-CD2 4.45Å; L686-L805 HydrophobicContact CD2-CD1 4.38Å; L686-L805 HydrophobicContact CD2-CD2 4.35Å; P687-L805 HydrophobicContact CG-CD1 3.81Å; W801-L805 HydrophobicContact CH2-CD2 4.43Å; W801-L805 HydrophobicContact CZ2-CD2 3.86Å; W801-L805 VanDerWaalsContact O-CB 3.3Å; W801-L805 WeakPolarHBondContact O-CB 3.44Å; W801-L805 PolarHBondContact O-N 3.39Å; L802-L805 PolarHBondContact O-N 3.41Å; L805-A807 VanDerWaalsContact C-N 3.32Å; L805-A807 PolarHBondContact O-N 3.42Å; L805-E808 PolarHBondContact O-N 3.47Å; L805-L809 HydrophobicContact CD1-CD1 3.85Å; L805-L809 HydrophobicContact CD1-CG 4.21Å; L805-L809 HydrophobicContact CG-CD1 3.93Å; L805-L809 WeakPolarHBondContact O-CB 3.13Å; L805-L809 WeakPolarHBondContact O-CG 3.43Å; L805-L809 PolarHBondContact O-N 3.23Å
806	K	98.4	Very high	98.1	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.017	23%	0.232	C	C	.	.	H	α-helix	trans	-55.7	-45.6	175	-76.9	165.7	60	177.9	0	111.7	L652 A742 L802 E803 L809 G810 I811	L652-K806 HydrophobicContact CD2-CG 4.42Å; A742-K806 WeakPolarHBondContact O-CD 3.45Å; A742-K806 WeakPolarHBondContact O-CE 3.27Å; A742-K806 PolarHBondContact O-NZ 3.04Å; L802-K806 VanDerWaalsContact O-CB 3.29Å; L802-K806 WeakPolarHBondContact O-CB 3.33Å; L802-K806 WeakPolarHBondContact O-CD 3.01Å; L802-K806 WeakPolarHBondContact O-CG 3.38Å; L802-K806 PolarHBondContact O-N 3.42Å; E803-K806 IonicContact OE1-NZ 3.75Å; E803-K806 PolarHBondContact OE1-NZ 3.49Å; E803-K806 IonicContact OE2-NZ 3.24Å; K806-L809 PolarHBondContact O-N 3.24Å; K806-G810 PolarHBondContact O-N 2.97Å; K806-I811 HydrophobicContact CB-CB 4Å; K806-I811 HydrophobicContact CB-CG1 4.42Å; K806-I811 HydrophobicContact CB-CG2 4.4Å; K806-I811 HydrophobicContact CG-CB 4.37Å; K806-I811 HydrophobicContact CG-CG2 4.36Å; K806-I811 WeakPolarHBondContact O-CB 2.94Å; K806-I811 PolarHBondContact O-N 3.05Å
807	A	98	Very high	98.1	Very high	55 Å²	55	43.3 Å²	43.3	46%	0.455	24%	0.236	S	C	.	.	H	α-helix	trans	-64.7	-45.5	179.5	0	0	0	0	0	112.3	E803 T804 L805 L809 G810	E803-A807 WeakPolarHBondContact O-CB 3.2Å; E803-A807 PolarHBondContact O-N 2.9Å; T804-A807 PolarHBondContact O-N 3.46Å; L805-A807 VanDerWaalsContact C-N 3.32Å; L805-A807 PolarHBondContact O-N 3.42Å; A807-L809 PolarHBondContact O-N 3.31Å; A807-G810 PolarHBondContact O-N 2.86Å; A807-G810 VanDerWaalsContact O-N 3.11Å
808	E	97.7	Very high	98	Very high	84 Å²	84	41.5 Å²	41.5	39%	0.393	23%	0.234	S	C	.	.	H	α-helix	trans	-62.2	-33.5	178.8	-176.9	171.7	-162.4	0	0	112.3	Y690 H691 T804 L805 G810	Y690-E808 WeakPolarHBondContact CE1-O 3.3Å; H691-E808 IonicContact CD2-OE1 3.55Å; H691-E808 WeakPolarHBondContact NE2-CG 3.44Å; H691-E808 PolarHBondContact NE2-O 2.9Å; H691-E808 IonicContact NE2-OE1 3.41Å; H691-E808 PolarHBondContact NE2-OE1 3.3Å; T804-E808 WeakPolarHBondContact O-CB 3.41Å; T804-E808 PolarHBondContact O-N 3.33Å; L805-E808 PolarHBondContact O-N 3.47Å; E808-G810 VanDerWaalsContact C-N 3.33Å
809	L	98.1	Very high	97.9	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.021	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	4.2	177.4	-61	179.9	0	0	0	114.3	A648 L652 L686 Y690 L805 K806 A807 I811	A648-L809 HydrophobicContact CB-CB 3.96Å; A648-L809 HydrophobicContact CB-CD1 4.49Å; L652-L809 HydrophobicContact CD1-CD1 3.86Å; L652-L809 HydrophobicContact CD2-CD1 4.24Å; L652-L809 HydrophobicContact CG-CD1 3.87Å; L686-L809 HydrophobicContact CD2-CD1 3.77Å; L686-L809 HydrophobicContact CG-CD1 4.02Å; Y690-L809 HydrophobicContact CD1-CD2 3.74Å; Y690-L809 HydrophobicContact CD2-CD2 3.81Å; Y690-L809 HydrophobicContact CG-CD2 3.33Å; Y690-L809 PolarHBondContact OH-O 3.3Å; L805-L809 HydrophobicContact CD1-CD1 3.85Å; L805-L809 HydrophobicContact CD1-CG 4.21Å; L805-L809 HydrophobicContact CG-CD1 3.93Å; L805-L809 WeakPolarHBondContact O-CB 3.13Å; L805-L809 WeakPolarHBondContact O-CG 3.43Å; L805-L809 PolarHBondContact O-N 3.23Å; K806-L809 PolarHBondContact O-N 3.24Å; A807-L809 PolarHBondContact O-N 3.31Å; L809-I811 HydrophobicContact CB-CG1 4.25Å
810	G	97.1	Very high	97.8	Very high	57 Å²	57	44.7 Å²	44.7	59%	0.588	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	26.2	176.9	0	0	0	0	0	114.9	K806 A807 E808	K806-G810 PolarHBondContact O-N 2.97Å; A807-G810 PolarHBondContact O-N 2.86Å; A807-G810 VanDerWaalsContact O-N 3.11Å; E808-G810 VanDerWaalsContact C-N 3.33Å
811	I	98.2	Very high	97.8	Very high	8 Å²	8	49.1 Å²	49.1	4%	0.041	28%	0.277	C	S	.	.			trans	-81.1	130.5	178.2	-55.5	-60.1	0	0	0	110.2	A648 F649 L652 L739 A742 K806 L809	A648-I811 HydrophobicContact CB-CD1 4.37Å; F649-I811 HydrophobicContact CD1-CD1 3.78Å; F649-I811 HydrophobicContact CE1-CD1 3.63Å; L652-I811 HydrophobicContact CD1-CD1 3.73Å; L652-I811 HydrophobicContact CD1-CG1 3.41Å; L652-I811 VanDerWaalsContact CD1-CG1 3.41Å; L739-I811 HydrophobicContact CD1-CD1 4.27Å; L739-I811 HydrophobicContact CD1-CG2 3.81Å; A742-I811 HydrophobicContact CB-CG2 4Å; K806-I811 HydrophobicContact CB-CB 4Å; K806-I811 HydrophobicContact CB-CG1 4.42Å; K806-I811 HydrophobicContact CB-CG2 4.4Å; K806-I811 HydrophobicContact CG-CB 4.37Å; K806-I811 HydrophobicContact CG-CG2 4.36Å; K806-I811 WeakPolarHBondContact O-CB 2.94Å; K806-I811 PolarHBondContact O-N 3.05Å; L809-I811 HydrophobicContact CB-CG1 4.25Å
812	P	97.7	Very high	97.7	Very high	29 Å²	29	51 Å²	51	19%	0.188	29%	0.287	C	S	.	.			trans	-61.1	156.6	175.2	24.6	-33.2	0	0	0	112	L739 L743 E817 A818	L739-P812 HydrophobicContact CD1-CG 3.95Å; L743-P812 HydrophobicContact CD2-CG 4.36Å; L743-P812 VanDerWaalsContact CD2-O 3.27Å; L743-P812 WeakPolarHBondContact CD2-O 3.24Å; P812-E817 HydrophobicContact CB-CB 3.66Å; P812-A818 HydrophobicContact CG-CB 3.92Å
813	K	97.5	Very high	97.7	Very high	90 Å²	90	54.8 Å²	54.8	39%	0.391	32%	0.318	S	S	.	.	S	Bend	trans	-80.5	-17.7	-176.5	-63.2	-53	-166.3	178	0	113.7	E803 E817	E803-K813 PolarHBondContact O-NZ 3.29Å; E803-K813 IonicContact OE2-NZ 3.23Å; E803-K813 PolarHBondContact OE2-NZ 3.11Å; K813-E817 WeakPolarHBondContact CB-OE2 3.49Å; K813-E817 PolarHBondContact N-OE2 2.91Å
814	S	98.2	Very high	97.6	Very high	5 Å²	5	55.7 Å²	55.7	4%	0.035	33%	0.325	C	S	.	.	S	Bend	trans	-151.1	164.4	-175.1	63.8	0	0	0	0	112.4	R816 E817 A818 T861 Y862	S814-R816 PolarHBondContact O-N 2.83Å; S814-E817 PolarHBondContact O-N 2.95Å; S814-E817 PolarHBondContact OG-N 3.01Å; S814-A818 PolarHBondContact O-N 3.38Å; S814-A818 VanDerWaalsContact O-N 3.12Å; S814-T861 WeakPolarHBondContact CA-O 3.21Å; S814-T861 WeakPolarHBondContact CB-O 3.19Å; S814-Y862 WeakPolarHBondContact CB-O 3.35Å
815	I	97.8	Very high	97.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-32.7	173.5	-65.5	157.5	0	0	0	110.8	L729 I735 L743 E817 A818 V820 F825 T861 Y862	L729-I815 HydrophobicContact CD1-CD1 3.94Å; L729-I815 HydrophobicContact CD2-CD1 4.26Å; I735-I815 HydrophobicContact CD1-CG2 4.08Å; L743-I815 HydrophobicContact CD1-CG1 3.88Å; I815-E817 VanDerWaalsContact C-N 3.34Å; I815-E817 PolarHBondContact O-N 2.76Å; I815-A818 WeakPolarHBondContact O-CB 3.49Å; I815-A818 PolarHBondContact O-N 3.13Å; I815-A818 VanDerWaalsContact O-N 3.12Å; I815-V820 HydrophobicContact CG2-CB 3.69Å; I815-V820 HydrophobicContact CG2-CG1 4.26Å; I815-V820 HydrophobicContact CG2-CG2 3.6Å; I815-V820 PolarHBondContact O-N 2.89Å; I815-F825 HydrophobicContact CD1-CE2 4Å; I815-F825 HydrophobicContact CD1-CZ 4.36Å; I815-F825 HydrophobicContact CG2-CD2 4.28Å; I815-F825 HydrophobicContact CG2-CE2 4.32Å; I815-T861 HydrophobicContact CD1-CG2 3.67Å; I815-T861 HydrophobicContact CG1-CG2 3.91Å; I815-T861 PolarHBondContact N-O 3.43Å; I815-Y862 HydrophobicContact CB-CD2 3.98Å; I815-Y862 HydrophobicContact CG2-CD2 3.86Å; I815-Y862 HydrophobicContact CG2-CE2 4.32Å
816	R	98	Very high	97.5	Very high	146 Å²	146	54.5 Å²	54.5	55%	0.551	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-43.8	173.4	-178.1	178.3	-178.5	169.9	5.7	112.1	S814 A818 G819 Y862	S814-R816 PolarHBondContact O-N 2.83Å; R816-A818 VanDerWaalsContact C-N 3.26Å; R816-A818 PolarHBondContact O-N 2.65Å; R816-G819 PolarHBondContact O-N 2.79Å; R816-Y862 HydrophobicContact CB-CD1 4.45Å; R816-Y862 HydrophobicContact CB-CD2 4.5Å; R816-Y862 HydrophobicContact CB-CE1 4Å; R816-Y862 HydrophobicContact CB-CE2 4.04Å; R816-Y862 VanDerWaalsContact CB-O 3.24Å; R816-Y862 WeakPolarHBondContact CB-O 3.37Å; R816-Y862 HydrophobicContact CG-CE1 4.32Å; R816-Y862 PolarHBondContact N-O 2.96Å
817	E	97.5	Very high	97.4	Very high	123 Å²	123	57.9 Å²	57.9	58%	0.575	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-20.2	176.2	-74.7	176.4	-160.9	0	0	113.1	P812 K813 S814 I815 G819	P812-E817 HydrophobicContact CB-CB 3.66Å; K813-E817 WeakPolarHBondContact CB-OE2 3.49Å; K813-E817 PolarHBondContact N-OE2 2.91Å; S814-E817 PolarHBondContact O-N 2.95Å; S814-E817 PolarHBondContact OG-N 3.01Å; I815-E817 VanDerWaalsContact C-N 3.34Å; I815-E817 PolarHBondContact O-N 2.76Å; E817-G819 PolarHBondContact O-N 3.46Å
818	A	96.7	Very high	97.3	Very high	32 Å²	32	57.1 Å²	57.1	26%	0.264	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	1.3	174.7	0	0	0	0	0	113.8	L739 L743 P812 S814 I815 R816	L739-A818 HydrophobicContact CD2-CB 4.44Å; L743-A818 HydrophobicContact CD1-CB 4.12Å; P812-A818 HydrophobicContact CG-CB 3.92Å; S814-A818 PolarHBondContact O-N 3.38Å; S814-A818 VanDerWaalsContact O-N 3.12Å; I815-A818 WeakPolarHBondContact O-CB 3.49Å; I815-A818 PolarHBondContact O-N 3.13Å; I815-A818 VanDerWaalsContact O-N 3.12Å; R816-A818 VanDerWaalsContact C-N 3.26Å; R816-A818 PolarHBondContact O-N 2.65Å
819	G	95.9	Very high	97.3	Very high	58 Å²	58	53.2 Å²	53.2	60%	0.598	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.5	7.7	172.9	0	0	0	0	0	115.8	R816 E817	R816-G819 PolarHBondContact O-N 2.79Å; E817-G819 PolarHBondContact O-N 3.46Å
820	V	97.2	Very high	97.3	Very high	12 Å²	12	57 Å²	57	7%	0.073	33%	0.334	C	S	.	.			trans	-89	128.4	178.9	-175.9	0	0	0	0	111.6	F733 I735 I815 F825 Y862	F733-V820 HydrophobicContact CB-CG2 3.82Å; F733-V820 HydrophobicContact CD1-CG1 3.68Å; F733-V820 HydrophobicContact CD1-CG2 4.42Å; F733-V820 HydrophobicContact CD2-CG1 4.29Å; F733-V820 HydrophobicContact CD2-CG2 4.39Å; F733-V820 HydrophobicContact CE1-CG1 3.84Å; F733-V820 HydrophobicContact CE2-CG1 4.41Å; F733-V820 HydrophobicContact CG-CG1 3.93Å; F733-V820 HydrophobicContact CG-CG2 3.96Å; F733-V820 HydrophobicContact CZ-CG1 4.22Å; I735-V820 HydrophobicContact CD1-CG2 3.7Å; I735-V820 HydrophobicContact CG1-CG2 4.3Å; I815-V820 HydrophobicContact CG2-CB 3.69Å; I815-V820 HydrophobicContact CG2-CG1 4.26Å; I815-V820 HydrophobicContact CG2-CG2 3.6Å; I815-V820 PolarHBondContact O-N 2.89Å; V820-F825 HydrophobicContact CG1-CB 4.06Å; V820-F825 HydrophobicContact CG1-CD2 4.33Å; V820-Y862 HydrophobicContact CB-CE2 4.35Å; V820-Y862 HydrophobicContact CG1-CE2 4.36Å; V820-Y862 WeakPolarHBondContact O-CE2 3.41Å; V820-Y862 PolarHBondContact O-OH 3.48Å
821	Q	97.1	Very high	97.2	Very high	145 Å²	145	58.8 Å²	58.8	68%	0.678	33%	0.326	S	S	*	.			trans	-76.7	140.2	179.5	-62.4	-60.8	-22	0	0	112.1	A823 D824 F825	Q821-A823 VanDerWaalsContact C-N 3.32Å; Q821-A823 PolarHBondContact O-N 2.95Å; Q821-D824 PolarHBondContact O-N 3.19Å; Q821-F825 PolarHBondContact O-N 3.46Å
822	E	97.8	Very high	97	Very high	69 Å²	69	58.7 Å²	58.7	32%	0.322	33%	0.325	S	S	.	.	H	α-helix	trans	-61.6	-40.5	-172.9	-175.8	168.1	-180	0	0	112.3	D824 F825 L826 Y862 Y863	E822-D824 VanDerWaalsContact C-N 3.33Å; E822-D824 PolarHBondContact O-N 3.21Å; E822-F825 PolarHBondContact O-N 2.97Å; E822-L826 HydrophobicContact CG-CD1 3.73Å; E822-L826 HydrophobicContact CG-CG 4.1Å; E822-L826 WeakPolarHBondContact O-CB 3.42Å; E822-L826 VanDerWaalsContact O-CG 3.3Å; E822-L826 WeakPolarHBondContact O-CG 3.4Å; E822-L826 PolarHBondContact O-N 2.83Å; E822-Y862 WeakPolarHBondContact CA-OH 3.38Å; E822-Y862 HydrophobicContact CB-CE1 3.95Å; E822-Y862 WeakPolarHBondContact CB-OH 3.47Å; E822-Y862 HydrophobicContact CG-CE1 3.92Å; E822-Y862 PolarHBondContact N-OH 3.15Å; E822-Y863 WeakPolarHBondContact OE1-CE1 3.34Å; E822-Y863 PolarHBondContact OE1-OH 2.97Å
823	A	97.2	Very high	97	Very high	81 Å²	81	57.3 Å²	57.3	67%	0.669	32%	0.316	S	S	*	.	H	α-helix	trans	-60.4	-43	179	0	0	0	0	0	112.2	Q821 A827	Q821-A823 VanDerWaalsContact C-N 3.32Å; Q821-A823 PolarHBondContact O-N 2.95Å; A823-A827 VanDerWaalsContact O-CB 3.28Å; A823-A827 WeakPolarHBondContact O-CB 3.43Å; A823-A827 PolarHBondContact O-N 2.92Å; A823-A827 VanDerWaalsContact O-N 3.17Å
824	D	96.3	Very high	97	Very high	73 Å²	73	58.3 Å²	58.3	39%	0.39	32%	0.322	S	S	.	.	H	α-helix	trans	-73.8	-37.2	-179.9	-169.7	36.8	0	0	0	111.6	F733 Q821 E822 N828	F733-D824 WeakPolarHBondContact CE1-OD2 3.37Å; Q821-D824 PolarHBondContact O-N 3.19Å; E822-D824 VanDerWaalsContact C-N 3.33Å; E822-D824 PolarHBondContact O-N 3.21Å; D824-N828 PolarHBondContact O-N 3.44Å; D824-N828 PolarHBondContact O-ND2 3.09Å; D824-N828 PolarHBondContact OD1-ND2 2.98Å
825	F	97.6	Very high	96.8	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-62.6	-53.3	174.8	-172.7	-97.7	0	0	0	112.2	L729 F733 I815 V820 Q821 E822 A827 N828 V829 L858 L859 Y862	L729-F825 HydrophobicContact CD2-CE2 4.02Å; F733-F825 AromaticContact CE2-CD2 3.7Å; F733-F825 HydrophobicContact CE2-CD2 3.7Å; F733-F825 HydrophobicContact CE2-CE2 4.14Å; F733-F825 HydrophobicContact CZ-CB 4.43Å; F733-F825 AromaticContact CZ-CD2 3.83Å; F733-F825 HydrophobicContact CZ-CD2 3.83Å; I815-F825 HydrophobicContact CD1-CE2 4Å; I815-F825 HydrophobicContact CD1-CZ 4.36Å; I815-F825 HydrophobicContact CG2-CD2 4.28Å; I815-F825 HydrophobicContact CG2-CE2 4.32Å; V820-F825 HydrophobicContact CG1-CB 4.06Å; V820-F825 HydrophobicContact CG1-CD2 4.33Å; Q821-F825 PolarHBondContact O-N 3.46Å; E822-F825 PolarHBondContact O-N 2.97Å; F825-A827 VanDerWaalsContact C-N 3.27Å; F825-A827 PolarHBondContact O-N 2.8Å; F825-N828 PolarHBondContact O-N 2.86Å; F825-V829 HydrophobicContact CE1-CB 4.26Å; F825-V829 HydrophobicContact CE1-CG2 3.97Å; F825-V829 HydrophobicContact CZ-CG2 4.08Å; F825-V829 WeakPolarHBondContact O-CB 3.3Å; F825-V829 PolarHBondContact O-N 3.05Å; F825-L858 HydrophobicContact CZ-CB 4.11Å; F825-L858 WeakPolarHBondContact CZ-O 3.48Å; F825-L859 HydrophobicContact CE1-CD2 4.15Å; F825-Y862 HydrophobicContact CB-CD2 3.83Å; F825-Y862 HydrophobicContact CB-CE2 3.71Å; F825-Y862 HydrophobicContact CD1-CD1 4.3Å; F825-Y862 AromaticContact CD1-CD2 3.55Å; F825-Y862 HydrophobicContact CD1-CD2 3.55Å; F825-Y862 HydrophobicContact CD1-CE2 4.24Å; F825-Y862 AromaticContact CD1-CG 3.61Å; F825-Y862 HydrophobicContact CD1-CG 3.61Å; F825-Y862 AromaticContact CD2-CD2 3.65Å; F825-Y862 HydrophobicContact CD2-CD2 3.65Å; F825-Y862 HydrophobicContact CD2-CE2 4.27Å; F825-Y862 HydrophobicContact CD2-CG 4.44Å; F825-Y862 VanDerWaalsContact CE1-CB 3.49Å; F825-Y862 AromaticContact CE1-CD2 3.99Å; F825-Y862 HydrophobicContact CE1-CD2 3.99Å; F825-Y862 AromaticContact CE1-CG 3.81Å; F825-Y862 HydrophobicContact CE1-CG 3.81Å; F825-Y862 HydrophobicContact CE2-CD2 4.08Å; F825-Y862 AromaticContact CG-CD2 3.36Å; F825-Y862 HydrophobicContact CG-CD2 3.36Å; F825-Y862 AromaticContact CG-CE2 3.81Å; F825-Y862 HydrophobicContact CG-CE2 3.81Å; F825-Y862 AromaticContact CG-CG 3.96Å; F825-Y862 HydrophobicContact CG-CG 3.96Å; F825-Y862 HydrophobicContact CZ-CD2 4.23Å; F825-Y862 HydrophobicContact CZ-CG 4.3Å
826	L	97.7	Very high	96.7	Very high	70 Å²	70	59.3 Å²	59.3	37%	0.366	33%	0.327	S	S	.	.	H	α-helix	trans	-66.2	-28.8	-177.7	-66.3	180	0	0	0	112.7	E822 N828 L859	E822-L826 HydrophobicContact CG-CD1 3.73Å; E822-L826 HydrophobicContact CG-CG 4.1Å; E822-L826 WeakPolarHBondContact O-CB 3.42Å; E822-L826 VanDerWaalsContact O-CG 3.3Å; E822-L826 WeakPolarHBondContact O-CG 3.4Å; E822-L826 PolarHBondContact O-N 2.83Å; L826-N828 VanDerWaalsContact C-N 3.33Å; L826-L859 HydrophobicContact CD2-CD2 3.52Å
827	A	97	Very high	96.7	Very high	74 Å²	74	55.2 Å²	55.2	61%	0.612	31%	0.313	S	S	*	.	H	α-helix	trans	-68.4	-31.9	176.3	0	0	0	0	0	112.8	A823 F825	A823-A827 VanDerWaalsContact O-CB 3.28Å; A823-A827 WeakPolarHBondContact O-CB 3.43Å; A823-A827 PolarHBondContact O-N 2.92Å; A823-A827 VanDerWaalsContact O-N 3.17Å; F825-A827 VanDerWaalsContact C-N 3.27Å; F825-A827 PolarHBondContact O-N 2.8Å
828	N	95.9	Very high	96.5	Very high	39 Å²	39	52.6 Å²	52.6	21%	0.209	30%	0.303	C	S	.	.	H	α-helix	trans	-109.3	-12.2	-171.8	-63.1	-62.7	0	0	0	114.1	Q732 D824 F825 L826 D830 K831 L832	Q732-N828 HydrophobicContact CG-CB 4.25Å; Q732-N828 VanDerWaalsContact NE2-CG 3.29Å; Q732-N828 PolarHBondContact NE2-ND2 2.88Å; Q732-N828 PolarHBondContact NE2-OD1 3.45Å; D824-N828 PolarHBondContact O-N 3.44Å; D824-N828 PolarHBondContact O-ND2 3.09Å; D824-N828 PolarHBondContact OD1-ND2 2.98Å; F825-N828 PolarHBondContact O-N 2.86Å; L826-N828 VanDerWaalsContact C-N 3.33Å; N828-D830 VanDerWaalsContact C-N 3.28Å; N828-D830 PolarHBondContact O-N 3Å; N828-K831 PolarHBondContact O-N 2.57Å; N828-K831 VanDerWaalsContact O-N 3.09Å; N828-L832 HydrophobicContact CB-CD1 4.25Å; N828-L832 HydrophobicContact CB-CG 4.49Å; N828-L832 VanDerWaalsContact O-CG 3.29Å; N828-L832 WeakPolarHBondContact O-CG 3.25Å; N828-L832 PolarHBondContact O-N 2.93Å
829	V	97.2	Very high	96.4	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-57.1	-35.9	-174.1	70.4	0	0	0	0	114.1	F825 L832 S833 K855 L858	F825-V829 HydrophobicContact CE1-CB 4.26Å; F825-V829 HydrophobicContact CE1-CG2 3.97Å; F825-V829 HydrophobicContact CZ-CG2 4.08Å; F825-V829 WeakPolarHBondContact O-CB 3.3Å; F825-V829 PolarHBondContact O-N 3.05Å; V829-L832 PolarHBondContact O-N 3.49Å; V829-S833 WeakPolarHBondContact O-CB 3.5Å; V829-S833 PolarHBondContact O-N 3.12Å; V829-S833 PolarHBondContact O-OG 3.46Å; V829-K855 HydrophobicContact CG2-CG 4.24Å; V829-L858 HydrophobicContact CG2-CB 3.88Å; V829-L858 HydrophobicContact CG2-CD1 4.17Å
830	D	97.3	Very high	96.3	Very high	83 Å²	83	49.4 Å²	49.4	44%	0.444	27%	0.267	S	S	.	.	H	α-helix	trans	-63.1	-49.4	176.3	-79.7	-62.7	0	0	0	111.1	N828 L832 S833 E834 K855	N828-D830 VanDerWaalsContact C-N 3.28Å; N828-D830 PolarHBondContact O-N 3Å; D830-L832 PolarHBondContact O-N 2.93Å; D830-S833 PolarHBondContact O-N 3.45Å; D830-S833 PolarHBondContact O-OG 3.08Å; D830-E834 PolarHBondContact O-N 3.28Å; D830-E834 VanDerWaalsContact O-N 3.12Å; D830-K855 WeakPolarHBondContact OD1-CD 3.19Å; D830-K855 WeakPolarHBondContact OD1-CE 3.22Å; D830-K855 IonicContact OD1-NZ 3.51Å; D830-K855 PolarHBondContact OD1-NZ 3.39Å; D830-K855 IonicContact OD2-NZ 3.96Å; D830-K855 PolarHBondContact OD2-NZ 3.3Å
831	K	95.3	Very high	96.2	Very high	96 Å²	96	48.9 Å²	48.9	42%	0.417	26%	0.264	S	S	.	.	H	α-helix	trans	-61.6	-43.6	177.1	-176.8	61.4	166.8	75.5	0	111.9	N828 S833 E834 D835	N828-K831 PolarHBondContact O-N 2.57Å; N828-K831 VanDerWaalsContact O-N 3.09Å; K831-S833 VanDerWaalsContact C-N 3.3Å; K831-S833 PolarHBondContact O-N 2.93Å; K831-E834 PolarHBondContact O-N 2.94Å; K831-D835 IonicContact NZ-OD1 3.56Å; K831-D835 PolarHBondContact NZ-OD1 3Å; K831-D835 IonicContact NZ-OD2 3.99Å; K831-D835 PolarHBondContact NZ-OD2 3.32Å; K831-D835 VanDerWaalsContact O-CG 3.29Å; K831-D835 PolarHBondContact O-N 3.11Å
832	L	94.3	Very high	96.2	Very high	6 Å²	6	42 Å²	42	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-60.3	-39.7	177.1	-67.5	168.8	0	0	0	111.9	K728 L729 Q732 F733 N828 V829 D830 A836 L858	K728-L832 HydrophobicContact CB-CD2 3.6Å; K728-L832 WeakPolarHBondContact O-CD2 3.35Å; L729-L832 HydrophobicContact CD2-CD1 4.28Å; Q732-L832 HydrophobicContact CB-CD2 3.8Å; Q732-L832 HydrophobicContact CG-CD2 4.26Å; F733-L832 HydrophobicContact CE2-CD1 3.6Å; F733-L832 HydrophobicContact CZ-CD1 3.85Å; N828-L832 HydrophobicContact CB-CD1 4.25Å; N828-L832 HydrophobicContact CB-CG 4.49Å; N828-L832 VanDerWaalsContact O-CG 3.29Å; N828-L832 WeakPolarHBondContact O-CG 3.25Å; N828-L832 PolarHBondContact O-N 2.93Å; V829-L832 PolarHBondContact O-N 3.49Å; D830-L832 PolarHBondContact O-N 2.93Å; L832-A836 WeakPolarHBondContact O-CB 3Å; L832-A836 PolarHBondContact O-N 3.23Å; L832-L858 HydrophobicContact CB-CD1 4.43Å
833	S	97.5	Very high	96.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-69.9	-35.9	179.5	67.7	0	0	0	0	113	V829 D830 K831 F837 I851	V829-S833 WeakPolarHBondContact O-CB 3.5Å; V829-S833 PolarHBondContact O-N 3.12Å; V829-S833 PolarHBondContact O-OG 3.46Å; D830-S833 PolarHBondContact O-N 3.45Å; D830-S833 PolarHBondContact O-OG 3.08Å; K831-S833 VanDerWaalsContact C-N 3.3Å; K831-S833 PolarHBondContact O-N 2.93Å; S833-F837 PolarHBondContact O-N 3.39Å; S833-I851 VanDerWaalsContact OG-CG2 3.3Å; S833-I851 WeakPolarHBondContact OG-CG2 3.44Å
834	E	97.3	Very high	96.2	Very high	111 Å²	111	36.8 Å²	36.8	52%	0.519	20%	0.204	S	C	.	.	H	α-helix	trans	-68.9	-47.9	174.1	-175.9	175.2	177.4	0	0	111.3	D830 K831 A836 F837 D838 I851	D830-E834 PolarHBondContact O-N 3.28Å; D830-E834 VanDerWaalsContact O-N 3.12Å; K831-E834 PolarHBondContact O-N 2.94Å; E834-A836 VanDerWaalsContact C-N 3.29Å; E834-A836 PolarHBondContact O-N 3.47Å; E834-F837 WeakPolarHBondContact O-CB 3.4Å; E834-F837 PolarHBondContact O-N 3.5Å; E834-F837 VanDerWaalsContact O-N 3.13Å; E834-D838 PolarHBondContact O-N 3.41Å; E834-I851 HydrophobicContact CB-CD1 4.38Å; E834-I851 HydrophobicContact CG-CD1 4.22Å
835	D	94.2	Very high	96.3	Very high	25 Å²	25	33.3 Å²	33.3	13%	0.134	19%	0.186	C	C	.	.	H	α-helix	trans	-65.8	-32.8	179.4	-67.9	-10.3	0	0	0	112.6	K728 K831 D838 D839	K728-D835 HydrophobicContact CD-CB 3.95Å; K728-D835 WeakPolarHBondContact CE-O 3.47Å; K728-D835 HydrophobicContact CG-CB 3.92Å; K831-D835 IonicContact NZ-OD1 3.56Å; K831-D835 PolarHBondContact NZ-OD1 3Å; K831-D835 IonicContact NZ-OD2 3.99Å; K831-D835 PolarHBondContact NZ-OD2 3.32Å; K831-D835 VanDerWaalsContact O-CG 3.29Å; K831-D835 PolarHBondContact O-N 3.11Å; D835-D838 CarbonylContact O-C 3.58Å; D835-D838 PolarHBondContact O-N 3.24Å; D835-D839 PolarHBondContact O-N 3.46Å
836	A	95.8	Very high	96.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-68.3	-38.1	174.3	0	0	0	0	0	111.3	S724 M725 K728 L832 E834 D838 D839 T842 L854	S724-A836 WeakPolarHBondContact CB-O 3.19Å; M725-A836 HydrophobicContact CB-CB 4.41Å; M725-A836 HydrophobicContact CG-CB 3.78Å; K728-A836 HydrophobicContact CG-CB 4.3Å; L832-A836 WeakPolarHBondContact O-CB 3Å; L832-A836 PolarHBondContact O-N 3.23Å; E834-A836 VanDerWaalsContact C-N 3.29Å; E834-A836 PolarHBondContact O-N 3.47Å; A836-D838 VanDerWaalsContact C-N 3.3Å; A836-D838 PolarHBondContact O-N 2.99Å; A836-D839 VanDerWaalsContact O-CB 3.31Å; A836-D839 WeakPolarHBondContact O-CB 3.41Å; A836-D839 PolarHBondContact O-N 3.25Å; A836-T842 PolarHBondContact O-OG1 3.44Å; A836-L854 HydrophobicContact CB-CD1 4.11Å
837	F	97.3	Very high	96.4	Very high	61 Å²	61	30.4 Å²	30.4	27%	0.268	17%	0.171	S	C	.	.	H	α-helix	trans	-62.6	-40	173.1	172.4	-92.3	0	0	0	111.6	S833 E834 D839 Y848 P849 I851 L854	S833-F837 PolarHBondContact O-N 3.39Å; E834-F837 WeakPolarHBondContact O-CB 3.4Å; E834-F837 PolarHBondContact O-N 3.5Å; E834-F837 VanDerWaalsContact O-N 3.13Å; F837-D839 PolarHBondContact O-N 3.49Å; F837-Y848 HydrophobicContact CE2-CD1 4.28Å; F837-Y848 AromaticContact CE2-CE1 3.46Å; F837-Y848 HydrophobicContact CE2-CE1 3.46Å; F837-Y848 VanDerWaalsContact CE2-CE1 3.46Å; F837-Y848 HydrophobicContact CE2-CE2 4.39Å; F837-Y848 AromaticContact CE2-CZ 3.52Å; F837-Y848 WeakPolarHBondContact CE2-OH 3.48Å; F837-Y848 AromaticContact CZ-CE1 3.68Å; F837-Y848 HydrophobicContact CZ-CE1 3.68Å; F837-Y848 AromaticContact CZ-CZ 3.63Å; F837-Y848 WeakPolarHBondContact CZ-OH 3.18Å; F837-P849 HydrophobicContact CD2-CG 4.33Å; F837-P849 VanDerWaalsContact CD2-O 3.31Å; F837-P849 WeakPolarHBondContact CD2-O 3.12Å; F837-P849 VanDerWaalsContact CE2-O 3.26Å; F837-P849 WeakPolarHBondContact CE2-O 3.39Å; F837-I851 HydrophobicContact CB-CG1 3.88Å; F837-I851 HydrophobicContact CD1-CD1 4.49Å; F837-I851 HydrophobicContact CD1-CG1 4.42Å; F837-I851 HydrophobicContact CD2-CG1 4.42Å; F837-I851 HydrophobicContact CG-CG1 3.99Å; F837-L854 HydrophobicContact CB-CD1 4.17Å
838	D	95.1	Very high	96.4	Very high	68 Å²	68	31.2 Å²	31.2	36%	0.364	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	16.9	177.4	-169.1	34.3	0	0	0	113.9	R572 E834 D835 A836	R572-D838 VanDerWaalsContact CD-O 3.31Å; R572-D838 WeakPolarHBondContact CD-O 3.48Å; R572-D838 VanDerWaalsContact CG-O 3.25Å; R572-D838 WeakPolarHBondContact CG-O 3.46Å; R572-D838 IonicContact CZ-OD1 3.7Å; R572-D838 IonicContact CZ-OD2 2.81Å; R572-D838 VanDerWaalsContact CZ-OD2 3.24Å; R572-D838 PolarHBondContact NE-O 2.82Å; R572-D838 IonicContact NE-OD1 3.47Å; R572-D838 PolarHBondContact NE-OD1 2.91Å; R572-D838 VanDerWaalsContact NE-OD1 3.08Å; R572-D838 IonicContact NE-OD2 3.55Å; R572-D838 PolarHBondContact NE-OD2 3.28Å; R572-D838 IonicContact NH2-OD1 3.62Å; R572-D838 IonicContact NH2-OD2 3.6Å; R572-D838 PolarHBondContact NH2-OD2 3.44Å; E834-D838 PolarHBondContact O-N 3.41Å; D835-D838 CarbonylContact O-C 3.58Å; D835-D838 PolarHBondContact O-N 3.24Å; A836-D838 VanDerWaalsContact C-N 3.3Å; A836-D838 PolarHBondContact O-N 2.99Å
839	D	93.4	Very high	96.5	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.032	15%	0.149	C	C	.	.	S	Bend	trans	-88.1	143.1	173.9	-163.3	-65.5	0	0	0	111.4	P621 H727 K728 D835 A836 F837 C841 T842	P621-D839 VanDerWaalsContact CG-OD1 3.24Å; P621-D839 WeakPolarHBondContact CG-OD1 3.36Å; P621-D839 WeakPolarHBondContact CG-OD2 3.48Å; H727-D839 IonicContact CG-OD2 3.38Å; H727-D839 IonicContact ND1-OD1 3.75Å; H727-D839 IonicContact ND1-OD2 3.96Å; H727-D839 PolarHBondContact ND1-OD2 3.46Å; H727-D839 VanDerWaalsContact ND1-OD2 3.08Å; K728-D839 VanDerWaalsContact CE-OD2 3.3Å; K728-D839 WeakPolarHBondContact CE-OD2 3.44Å; K728-D839 IonicContact NZ-OD2 3.61Å; K728-D839 PolarHBondContact NZ-OD2 3.19Å; D835-D839 PolarHBondContact O-N 3.46Å; A836-D839 VanDerWaalsContact O-CB 3.31Å; A836-D839 WeakPolarHBondContact O-CB 3.41Å; A836-D839 PolarHBondContact O-N 3.25Å; F837-D839 PolarHBondContact O-N 3.49Å; D839-C841 PolarHBondContact O-N 3.46Å; D839-C841 WeakPolarHBondContact OD1-CB 3.48Å; D839-C841 PolarHBondContact OD1-N 3.41Å; D839-T842 WeakPolarHBondContact O-CB 3.42Å; D839-T842 PolarHBondContact O-N 2.98Å; D839-T842 VanDerWaalsContact O-N 3.12Å
840	Q	94.6	Very high	96.5	Very high	16 Å²	16	32.3 Å²	32.3	8%	0.075	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.8	179.1	-173	55.9	60	0	0	113.2	F573 P621 T842	F573-Q840 VanDerWaalsContact CD1-OE1 3.3Å; F573-Q840 HydrophobicContact CE1-CG 3.94Å; F573-Q840 VanDerWaalsContact CE2-CD 3.49Å; F573-Q840 HydrophobicContact CE2-CG 4.19Å; F573-Q840 VanDerWaalsContact CZ-CD 3.48Å; F573-Q840 HydrophobicContact CZ-CG 3.76Å; F573-Q840 PolarHBondContact O-NE2 2.79Å; F573-Q840 PolarHBondContact O-OE1 3.38Å; P621-Q840 HydrophobicContact CG-CB 4.49Å; Q840-T842 VanDerWaalsContact C-N 3.34Å
841	C	95.4	Very high	96.6	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.007	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-30.4	177.9	-65.6	0	0	0	0	112.4	L719 G720 H723 S724 D839 G843 A844	L719-C841 HydrophobicContact CB-CB 4.32Å; G720-C841 WeakPolarHBondContact O-CB 3.24Å; H723-C841 HydrophobicContact CB-CB 4.3Å; S724-C841 WeakPolarHBondContact OG-CB 3.42Å; D839-C841 PolarHBondContact O-N 3.46Å; D839-C841 WeakPolarHBondContact OD1-CB 3.48Å; D839-C841 PolarHBondContact OD1-N 3.41Å; C841-G843 PolarHBondContact O-N 3.37Å; C841-A844 PolarHBondContact O-N 3.48Å
842	T	96.9	Very high	96.7	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-61.6	-33.5	-176.9	-78.5	0	0	0	0	112.2	S724 A836 D839 Q840 A844 N845 Y848 P849	S724-T842 WeakPolarHBondContact CB-OG1 3.3Å; S724-T842 PolarHBondContact OG-N 2.99Å; S724-T842 PolarHBondContact OG-OG1 2.95Å; A836-T842 PolarHBondContact O-OG1 3.44Å; D839-T842 WeakPolarHBondContact O-CB 3.42Å; D839-T842 PolarHBondContact O-N 2.98Å; D839-T842 VanDerWaalsContact O-N 3.12Å; Q840-T842 VanDerWaalsContact C-N 3.34Å; T842-A844 PolarHBondContact O-N 3.39Å; T842-N845 WeakPolarHBondContact O-CB 3.3Å; T842-N845 PolarHBondContact O-N 3.16Å; T842-Y848 HydrophobicContact CG2-CE2 4.25Å; T842-P849 VanDerWaalsContact CG2-CD 3.47Å; T842-P849 HydrophobicContact CG2-CG 3.51Å
843	G	96.1	Very high	96.8	Very high	37 Å²	37	31.1 Å²	31.1	38%	0.381	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-61.6	-18	-175.3	0	0	0	0	0	115.4	T761 C841	T761-G843 WeakPolarHBondContact CG2-O 3.38Å; C841-G843 PolarHBondContact O-N 3.37Å
844	A	98.2	Very high	96.9	Very high	3 Å²	3	31.1 Å²	31.1	3%	0.025	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-103	-3.4	177.9	0	0	0	0	0	113.8	S664 V665 L666 F718 L719 C841 T842	S664-A844 PolarHBondContact OG-O 3.27Å; V665-A844 HydrophobicContact CG2-CB 4.44Å; V665-A844 WeakPolarHBondContact CG2-O 3.37Å; V665-A844 PolarHBondContact N-O 3.07Å; V665-A844 VanDerWaalsContact N-O 3.11Å; L666-A844 HydrophobicContact CD1-CB 4.14Å; L666-A844 HydrophobicContact CG-CB 4.24Å; F718-A844 HydrophobicContact CB-CB 3.76Å; L719-A844 WeakPolarHBondContact O-CB 3.32Å; C841-A844 PolarHBondContact O-N 3.48Å; T842-A844 PolarHBondContact O-N 3.39Å
845	N	98.6	Very high	96.9	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	16%	0.156	C	C	.	.	S	Bend	trans	-67.9	136.5	177.4	-166.7	73	0	0	0	110.6	V721 N752 T761 T842 R847	V721-N845 HydrophobicContact CB-CB 4.18Å; V721-N845 PolarHBondContact N-OD1 3.06Å; N752-N845 PolarHBondContact ND2-OD1 3.07Å; N752-N845 PolarHBondContact OD1-ND2 3.46Å; T761-N845 PolarHBondContact OG1-O 3.15Å; T842-N845 WeakPolarHBondContact O-CB 3.3Å; T842-N845 PolarHBondContact O-N 3.16Å; N845-R847 VanDerWaalsContact C-N 3.32Å; N845-R847 PolarHBondContact ND2-N 3.21Å; N845-R847 PolarHBondContact ND2-O 3.44Å; N845-R847 PolarHBondContact O-N 3.33Å
846	P	98.1	Very high	97.1	Very high	6 Å²	6	28.8 Å²	28.8	4%	0.039	16%	0.155	C	C	.	.	S	Bend	trans	-56.4	-41.7	-178	-32.6	40.7	0	0	0	115.3	V663 V665 T761 Y766 A771	V663-P846 HydrophobicContact CG1-CG 4.33Å; V663-P846 HydrophobicContact CG2-CG 4.21Å; V663-P846 WeakPolarHBondContact O-CG 3.37Å; V665-P846 HydrophobicContact CG1-CB 4.37Å; V665-P846 HydrophobicContact CG1-CG 4.43Å; T761-P846 PolarHBondContact N-O 3.47Å; Y766-P846 HydrophobicContact CE1-CB 4.42Å; Y766-P846 WeakPolarHBondContact OH-CB 3.45Å; A771-P846 HydrophobicContact CB-CB 4.14Å; A771-P846 HydrophobicContact CB-CG 4.3Å
847	R	98.2	Very high	97.2	Very high	3 Å²	3	28.8 Å²	28.8	1%	0.011	16%	0.155	C	C	.	.	S	Bend	trans	-95.8	106.1	174.1	-177.8	170.1	178.6	162.7	8.1	107.5	Y751 P757 T758 N845 P849 E853 E869	Y751-R847 HydrophobicContact CE1-CB 3.99Å; Y751-R847 HydrophobicContact CE1-CG 3.82Å; Y751-R847 VanDerWaalsContact CE2-CD 3.45Å; Y751-R847 HydrophobicContact CE2-CG 4.3Å; Y751-R847 VanDerWaalsContact CE2-CZ 3.4Å; Y751-R847 VanDerWaalsContact CZ-NE 3.32Å; Y751-R847 WeakPolarHBondContact O-CD 3.43Å; Y751-R847 PolarHBondContact O-NH1 3.3Å; Y751-R847 WeakPolarHBondContact OH-CD 3.45Å; Y751-R847 WeakPolarHBondContact OH-CG 3.38Å; Y751-R847 PolarHBondContact OH-NE 3.45Å; P757-R847 HydrophobicContact CB-CB 4.4Å; P757-R847 HydrophobicContact CB-CG 3.79Å; T758-R847 PolarHBondContact OG1-NH2 3.3Å; N845-R847 VanDerWaalsContact C-N 3.32Å; N845-R847 PolarHBondContact ND2-N 3.21Å; N845-R847 PolarHBondContact ND2-O 3.44Å; N845-R847 PolarHBondContact O-N 3.33Å; R847-P849 VanDerWaalsContact O-CD 3.23Å; R847-P849 WeakPolarHBondContact O-CD 3.36Å; R847-P849 VanDerWaalsContact O-N 3.12Å; R847-E853 IonicContact CZ-OE1 3.72Å; R847-E853 IonicContact NE-OE1 3.51Å; R847-E853 IonicContact NE-OE2 2.68Å; R847-E853 IonicContact NH2-OE1 3.59Å; R847-E853 PolarHBondContact NH2-OE1 3.26Å; R847-E853 IonicContact NH2-OE2 2.78Å; R847-E869 IonicContact CZ-OE1 2.95Å; R847-E869 IonicContact CZ-OE2 3.81Å; R847-E869 IonicContact NH1-OE1 3.24Å; R847-E869 IonicContact NH1-OE2 2.68Å; R847-E869 PolarHBondContact NH1-OE2 3.31Å; R847-E869 VanDerWaalsContact NH2-CD 3.27Å; R847-E869 IonicContact NH2-OE1 3.4Å; R847-E869 PolarHBondContact NH2-OE1 3.34Å; R847-E869 IonicContact NH2-OE2 2.62Å; R847-E869 PolarHBondContact NH2-OE2 3.39Å
848	Y	97.9	Very high	97.2	Very high	90 Å²	90	26 Å²	26	35%	0.353	14%	0.143	S	C	.	.			trans	-67.4	111.1	176.8	-170.2	-108.7	0	0	0	108.7	K759 F837 T842	K759-Y848 WeakPolarHBondContact CB-O 3.04Å; F837-Y848 HydrophobicContact CE2-CD1 4.28Å; F837-Y848 AromaticContact CE2-CE1 3.46Å; F837-Y848 HydrophobicContact CE2-CE1 3.46Å; F837-Y848 VanDerWaalsContact CE2-CE1 3.46Å; F837-Y848 HydrophobicContact CE2-CE2 4.39Å; F837-Y848 AromaticContact CE2-CZ 3.52Å; F837-Y848 WeakPolarHBondContact CE2-OH 3.48Å; F837-Y848 AromaticContact CZ-CE1 3.68Å; F837-Y848 HydrophobicContact CZ-CE1 3.68Å; F837-Y848 AromaticContact CZ-CZ 3.63Å; F837-Y848 WeakPolarHBondContact CZ-OH 3.18Å; T842-Y848 HydrophobicContact CG2-CE2 4.25Å
849	P	97.8	Very high	97.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.			trans	-77.4	150.4	-160.3	31	-35.8	0	0	0	113.2	V721 Y751 F837 T842 R847 L854	V721-P849 HydrophobicContact CG2-CG 4.07Å; Y751-P849 HydrophobicContact CE1-CB 4.31Å; Y751-P849 WeakPolarHBondContact OH-CA 3.33Å; Y751-P849 VanDerWaalsContact OH-CB 3.25Å; Y751-P849 WeakPolarHBondContact OH-CB 3.3Å; F837-P849 HydrophobicContact CD2-CG 4.33Å; F837-P849 VanDerWaalsContact CD2-O 3.31Å; F837-P849 WeakPolarHBondContact CD2-O 3.12Å; F837-P849 VanDerWaalsContact CE2-O 3.26Å; F837-P849 WeakPolarHBondContact CE2-O 3.39Å; T842-P849 VanDerWaalsContact CG2-CD 3.47Å; T842-P849 HydrophobicContact CG2-CG 3.51Å; R847-P849 VanDerWaalsContact O-CD 3.23Å; R847-P849 WeakPolarHBondContact O-CD 3.36Å; R847-P849 VanDerWaalsContact O-N 3.12Å; P849-L854 HydrophobicContact CB-CD1 4.11Å; P849-L854 HydrophobicContact CB-CD2 3.48Å; P849-L854 VanDerWaalsContact CB-CD2 3.48Å; P849-L854 HydrophobicContact CB-CG 3.78Å; P849-L854 HydrophobicContact CG-CD1 4Å; P849-L854 HydrophobicContact CG-CD2 4.03Å; P849-L854 HydrophobicContact CG-CG 4.24Å
850	L	98.1	Very high	97.6	Very high	64 Å²	64	24.1 Å²	24.1	34%	0.335	13%	0.132	S	C	.	.			trans	-86.5	142.7	161.5	-54.5	180	0	0	0	108.9	K759 S852 E853 L854	K759-L850 HydrophobicContact CG-CD2 3.94Å; L850-S852 PolarHBondContact O-N 3.3Å; L850-S852 VanDerWaalsContact O-N 3.15Å; L850-E853 HydrophobicContact CB-CB 4.41Å; L850-E853 HydrophobicContact CB-CG 3.99Å; L850-E853 HydrophobicContact CG-CG 4.48Å; L850-E853 PolarHBondContact N-OE2 2.82Å; L850-E853 WeakPolarHBondContact O-CA 3.36Å; L850-E853 WeakPolarHBondContact O-CB 3.39Å; L850-E853 PolarHBondContact O-N 3.06Å; L850-L854 PolarHBondContact O-N 3.03Å; L850-L854 VanDerWaalsContact O-N 3.11Å
851	I	98.1	Very high	97.8	Very high	66 Å²	66	23.5 Å²	23.5	34%	0.338	13%	0.13	S	C	.	.	H	α-helix	trans	-51.8	-40.6	175.1	-64.6	172.5	0	0	0	110.9	S833 E834 F837 E853 L854 K855	S833-I851 VanDerWaalsContact OG-CG2 3.3Å; S833-I851 WeakPolarHBondContact OG-CG2 3.44Å; E834-I851 HydrophobicContact CB-CD1 4.38Å; E834-I851 HydrophobicContact CG-CD1 4.22Å; F837-I851 HydrophobicContact CB-CG1 3.88Å; F837-I851 HydrophobicContact CD1-CD1 4.49Å; F837-I851 HydrophobicContact CD1-CG1 4.42Å; F837-I851 HydrophobicContact CD2-CG1 4.42Å; F837-I851 HydrophobicContact CG-CG1 3.99Å; I851-E853 VanDerWaalsContact C-N 3.28Å; I851-E853 PolarHBondContact O-N 3.32Å; I851-L854 PolarHBondContact O-N 3.06Å; I851-K855 WeakPolarHBondContact O-CB 3.19Å; I851-K855 PolarHBondContact O-N 3.21Å
852	S	97.4	Very high	97.9	Very high	80 Å²	80	23.6 Å²	23.6	56%	0.559	13%	0.13	S	C	*	.	H	α-helix	trans	-60.8	-33	176.4	57.4	0	0	0	0	113.9	L850 Q856	L850-S852 PolarHBondContact O-N 3.3Å; L850-S852 VanDerWaalsContact O-N 3.15Å; S852-Q856 PolarHBondContact O-N 3.06Å
853	E	97.9	Very high	98	Very high	14 Å²	14	27.1 Å²	27.1	7%	0.065	14%	0.144	C	C	.	.	H	α-helix	trans	-77.9	-40	179	-65.8	172.6	156.8	0	0	111	Y751 T758 R847 L850 I851 K855 Q856 I857	Y751-E853 HydrophobicContact CE2-CB 3.71Å; Y751-E853 HydrophobicContact CE2-CG 4.2Å; Y751-E853 WeakPolarHBondContact CE2-OE2 3.32Å; Y751-E853 PolarHBondContact OH-OE2 2.9Å; T758-E853 WeakPolarHBondContact CB-OE1 3.29Å; T758-E853 WeakPolarHBondContact CG2-OE1 3.48Å; T758-E853 PolarHBondContact OG1-OE1 2.87Å; T758-E853 PolarHBondContact OG1-OE2 3.48Å; R847-E853 IonicContact CZ-OE1 3.72Å; R847-E853 IonicContact NE-OE1 3.51Å; R847-E853 IonicContact NE-OE2 2.68Å; R847-E853 IonicContact NH2-OE1 3.59Å; R847-E853 PolarHBondContact NH2-OE1 3.26Å; R847-E853 IonicContact NH2-OE2 2.78Å; L850-E853 HydrophobicContact CB-CB 4.41Å; L850-E853 HydrophobicContact CB-CG 3.99Å; L850-E853 HydrophobicContact CG-CG 4.48Å; L850-E853 PolarHBondContact N-OE2 2.82Å; L850-E853 WeakPolarHBondContact O-CA 3.36Å; L850-E853 WeakPolarHBondContact O-CB 3.39Å; L850-E853 PolarHBondContact O-N 3.06Å; I851-E853 VanDerWaalsContact C-N 3.28Å; I851-E853 PolarHBondContact O-N 3.32Å; E853-K855 VanDerWaalsContact C-N 3.34Å; E853-K855 PolarHBondContact O-N 3.31Å; E853-Q856 PolarHBondContact O-N 3.06Å; E853-Q856 VanDerWaalsContact O-N 3.17Å; E853-I857 WeakPolarHBondContact O-CG1 3.35Å; E853-I857 PolarHBondContact O-N 2.98Å
854	L	98.2	Very high	98	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.2	-45.1	173.8	-59.3	-171.3	0	0	0	111.4	V721 M725 A836 F837 P849 L850 I851 Q856 I857 L858	V721-L854 HydrophobicContact CG2-CD1 4.16Å; V721-L854 HydrophobicContact CG2-CD2 3.4Å; V721-L854 HydrophobicContact CG2-CG 4.43Å; M725-L854 HydrophobicContact SD-CB 4.21Å; M725-L854 HydrophobicContact SD-CD2 4.05Å; A836-L854 HydrophobicContact CB-CD1 4.11Å; F837-L854 HydrophobicContact CB-CD1 4.17Å; P849-L854 HydrophobicContact CB-CD1 4.11Å; P849-L854 HydrophobicContact CB-CD2 3.48Å; P849-L854 VanDerWaalsContact CB-CD2 3.48Å; P849-L854 HydrophobicContact CB-CG 3.78Å; P849-L854 HydrophobicContact CG-CD1 4Å; P849-L854 HydrophobicContact CG-CD2 4.03Å; P849-L854 HydrophobicContact CG-CG 4.24Å; L850-L854 PolarHBondContact O-N 3.03Å; L850-L854 VanDerWaalsContact O-N 3.11Å; I851-L854 PolarHBondContact O-N 3.06Å; L854-Q856 VanDerWaalsContact C-N 3.26Å; L854-Q856 PolarHBondContact O-N 2.9Å; L854-I857 PolarHBondContact O-N 3.32Å; L854-L858 WeakPolarHBondContact O-CB 3.44Å; L854-L858 VanDerWaalsContact O-CG 3.29Å; L854-L858 WeakPolarHBondContact O-CG 3.47Å; L854-L858 PolarHBondContact O-N 3.02Å
855	K	98	Very high	98	Very high	62 Å²	62	31.9 Å²	31.9	27%	0.27	16%	0.164	S	C	.	.	H	α-helix	trans	-54.8	-43.7	173.6	179.3	175.6	-174.4	168.2	0	111.8	V829 D830 I851 E853 L858 L859	V829-K855 HydrophobicContact CG2-CG 4.24Å; D830-K855 WeakPolarHBondContact OD1-CD 3.19Å; D830-K855 WeakPolarHBondContact OD1-CE 3.22Å; D830-K855 IonicContact OD1-NZ 3.51Å; D830-K855 PolarHBondContact OD1-NZ 3.39Å; D830-K855 IonicContact OD2-NZ 3.96Å; D830-K855 PolarHBondContact OD2-NZ 3.3Å; I851-K855 WeakPolarHBondContact O-CB 3.19Å; I851-K855 PolarHBondContact O-N 3.21Å; E853-K855 VanDerWaalsContact C-N 3.34Å; E853-K855 PolarHBondContact O-N 3.31Å; K855-L858 PolarHBondContact O-N 3.08Å; K855-L859 HydrophobicContact CG-CD1 4.05Å; K855-L859 VanDerWaalsContact O-CG 3.3Å; K855-L859 WeakPolarHBondContact O-CG 3.48Å; K855-L859 PolarHBondContact O-N 3.44Å
856	Q	98.2	Very high	97.9	Very high	26 Å²	26	36.2 Å²	36.2	12%	0.121	19%	0.188	C	C	.	.	H	α-helix	trans	-65.2	-46.1	-179.7	-172.4	57.8	56.2	0	0	111.4	S852 E853 L854 L858 L859 D860 Y867	S852-Q856 PolarHBondContact O-N 3.06Å; E853-Q856 PolarHBondContact O-N 3.06Å; E853-Q856 VanDerWaalsContact O-N 3.17Å; L854-Q856 VanDerWaalsContact C-N 3.26Å; L854-Q856 PolarHBondContact O-N 2.9Å; Q856-L858 VanDerWaalsContact C-N 3.33Å; Q856-L858 PolarHBondContact O-N 2.92Å; Q856-L859 PolarHBondContact O-N 3.2Å; Q856-D860 VanDerWaalsContact NE2-CG 3.34Å; Q856-D860 PolarHBondContact NE2-OD1 3.21Å; Q856-D860 PolarHBondContact NE2-OD2 3.28Å; Q856-D860 WeakPolarHBondContact O-CB 3.32Å; Q856-D860 VanDerWaalsContact O-CG 3.23Å; Q856-D860 PolarHBondContact O-N 2.91Å; Q856-Y867 HydrophobicContact CB-CD2 4.46Å; Q856-Y867 HydrophobicContact CB-CE2 4.13Å; Q856-Y867 HydrophobicContact CG-CD2 4.02Å; Q856-Y867 HydrophobicContact CG-CE2 3.87Å
857	I	98	Very high	97.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.3	-45.6	174.8	-64.7	164.9	0	0	0	111.1	M725 L744 N747 Y751 E853 L854 L859 D860 T861 Y867	M725-I857 HydrophobicContact CE-CG2 4.04Å; M725-I857 HydrophobicContact SD-CG2 4.37Å; L744-I857 HydrophobicContact CD2-CG2 4.47Å; N747-I857 HydrophobicContact CB-CG2 3.94Å; Y751-I857 HydrophobicContact CD1-CD1 3.84Å; Y751-I857 HydrophobicContact CD2-CD1 3.64Å; Y751-I857 HydrophobicContact CD2-CG1 4.46Å; Y751-I857 HydrophobicContact CE1-CD1 4.38Å; Y751-I857 HydrophobicContact CE2-CD1 4.19Å; Y751-I857 HydrophobicContact CG-CD1 3.42Å; Y751-I857 VanDerWaalsContact CG-CD1 3.42Å; Y751-I857 HydrophobicContact CG-CG1 4.47Å; E853-I857 WeakPolarHBondContact O-CG1 3.35Å; E853-I857 PolarHBondContact O-N 2.98Å; L854-I857 PolarHBondContact O-N 3.32Å; I857-L859 PolarHBondContact O-N 2.86Å; I857-D860 PolarHBondContact O-N 2.9Å; I857-T861 WeakPolarHBondContact O-CB 3.14Å; I857-T861 PolarHBondContact O-N 3.16Å; I857-T861 PolarHBondContact O-OG1 2.92Å; I857-Y867 HydrophobicContact CG1-CD2 3.65Å; I857-Y867 HydrophobicContact CG1-CE2 4.07Å; I857-Y867 HydrophobicContact CG1-CG 3.99Å
858	L	98.3	Very high	97.6	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-59.4	-45.9	178.1	-75.5	168.8	0	0	0	111.8	M725 L729 L744 F825 V829 L832 L854 K855 Q856 T861 Y862	M725-L858 HydrophobicContact CB-CD2 4.24Å; M725-L858 HydrophobicContact CG-CD2 4.42Å; M725-L858 HydrophobicContact SD-CD1 4.39Å; M725-L858 HydrophobicContact SD-CD2 4.08Å; M725-L858 HydrophobicContact SD-CG 3.87Å; L729-L858 HydrophobicContact CD1-CD2 3.85Å; L729-L858 HydrophobicContact CD2-CD2 3.99Å; L729-L858 HydrophobicContact CG-CD2 4Å; L744-L858 HydrophobicContact CD2-CD2 4.19Å; F825-L858 HydrophobicContact CZ-CB 4.11Å; F825-L858 WeakPolarHBondContact CZ-O 3.48Å; V829-L858 HydrophobicContact CG2-CB 3.88Å; V829-L858 HydrophobicContact CG2-CD1 4.17Å; L832-L858 HydrophobicContact CB-CD1 4.43Å; L854-L858 WeakPolarHBondContact O-CB 3.44Å; L854-L858 VanDerWaalsContact O-CG 3.29Å; L854-L858 WeakPolarHBondContact O-CG 3.47Å; L854-L858 PolarHBondContact O-N 3.02Å; K855-L858 PolarHBondContact O-N 3.08Å; Q856-L858 VanDerWaalsContact C-N 3.33Å; Q856-L858 PolarHBondContact O-N 2.92Å; L858-T861 PolarHBondContact O-N 3.08Å; L858-Y862 PolarHBondContact O-N 3.37Å
859	L	98	Very high	96.8	Very high	26 Å²	26	39.3 Å²	39.3	14%	0.136	21%	0.209	C	C	.	.	H	α-helix	trans	-61.7	-46.3	175.1	-72.4	166.6	0	0	0	111.2	F825 L826 K855 Q856 I857 T861 Y862 Y863	F825-L859 HydrophobicContact CE1-CD2 4.15Å; L826-L859 HydrophobicContact CD2-CD2 3.52Å; K855-L859 HydrophobicContact CG-CD1 4.05Å; K855-L859 VanDerWaalsContact O-CG 3.3Å; K855-L859 WeakPolarHBondContact O-CG 3.48Å; K855-L859 PolarHBondContact O-N 3.44Å; Q856-L859 PolarHBondContact O-N 3.2Å; I857-L859 PolarHBondContact O-N 2.86Å; L859-T861 VanDerWaalsContact C-N 3.32Å; L859-T861 PolarHBondContact O-N 3.22Å; L859-Y862 WeakPolarHBondContact O-CB 3.49Å; L859-Y862 PolarHBondContact O-N 3.44Å; L859-Y862 VanDerWaalsContact O-N 3.08Å; L859-Y863 HydrophobicContact CD2-CE2 4.35Å; L859-Y863 WeakPolarHBondContact O-CD2 3.34Å; L859-Y863 PolarHBondContact O-N 2.87Å; L859-Y863 VanDerWaalsContact O-N 3.16Å
860	D	98.2	Very high	95.4	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.043	25%	0.245	C	C	.	.	H	α-helix	trans	-62.6	-41.6	-179.2	-67.1	-26.6	0	0	0	111.3	Q856 I857 Y862 Y863 G864 R865	Q856-D860 VanDerWaalsContact NE2-CG 3.34Å; Q856-D860 PolarHBondContact NE2-OD1 3.21Å; Q856-D860 PolarHBondContact NE2-OD2 3.28Å; Q856-D860 WeakPolarHBondContact O-CB 3.32Å; Q856-D860 VanDerWaalsContact O-CG 3.23Å; Q856-D860 PolarHBondContact O-N 2.91Å; I857-D860 PolarHBondContact O-N 2.9Å; D860-Y862 VanDerWaalsContact C-N 3.32Å; D860-Y862 PolarHBondContact O-N 3.43Å; D860-Y863 PolarHBondContact O-N 3.08Å; D860-G864 PolarHBondContact O-N 2.69Å; D860-R865 HydrophobicContact CB-CB 3.99Å; D860-R865 PolarHBondContact O-N 2.68Å; D860-R865 IonicContact OD1-CZ 3.74Å; D860-R865 VanDerWaalsContact OD1-CZ 3.24Å; D860-R865 IonicContact OD1-NE 3.82Å; D860-R865 PolarHBondContact OD1-NE 3.15Å; D860-R865 IonicContact OD1-NH2 2.67Å; D860-R865 PolarHBondContact OD1-NH2 3.3Å
861	T	98.1	Very high	93.4	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.018	26%	0.26	C	S	.	.	H	α-helix	trans	-65.3	-31.8	173.1	-61.8	0	0	0	0	113	L743 L744 N747 S814 I815 I857 L858 L859	L743-T861 HydrophobicContact CB-CG2 3.83Å; L743-T861 WeakPolarHBondContact O-CG2 3.26Å; L744-T861 HydrophobicContact CD2-CG2 4.19Å; N747-T861 PolarHBondContact ND2-OG1 3.25Å; N747-T861 VanDerWaalsContact ND2-OG1 3.09Å; S814-T861 WeakPolarHBondContact CA-O 3.21Å; S814-T861 WeakPolarHBondContact CB-O 3.19Å; I815-T861 HydrophobicContact CD1-CG2 3.67Å; I815-T861 HydrophobicContact CG1-CG2 3.91Å; I815-T861 PolarHBondContact N-O 3.43Å; I857-T861 WeakPolarHBondContact O-CB 3.14Å; I857-T861 PolarHBondContact O-N 3.16Å; I857-T861 PolarHBondContact O-OG1 2.92Å; L858-T861 PolarHBondContact O-N 3.08Å; L859-T861 VanDerWaalsContact C-N 3.32Å; L859-T861 PolarHBondContact O-N 3.22Å
862	Y	98.4	Very high	90.8	Very high	3 Å²	3	48.8 Å²	48.8	1%	0.012	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-42.4	174.4	-175.8	-93	0	0	0	113	S814 I815 R816 V820 E822 F825 L858 L859 D860	S814-Y862 WeakPolarHBondContact CB-O 3.35Å; I815-Y862 HydrophobicContact CB-CD2 3.98Å; I815-Y862 HydrophobicContact CG2-CD2 3.86Å; I815-Y862 HydrophobicContact CG2-CE2 4.32Å; R816-Y862 HydrophobicContact CB-CD1 4.45Å; R816-Y862 HydrophobicContact CB-CD2 4.5Å; R816-Y862 HydrophobicContact CB-CE1 4Å; R816-Y862 HydrophobicContact CB-CE2 4.04Å; R816-Y862 VanDerWaalsContact CB-O 3.24Å; R816-Y862 WeakPolarHBondContact CB-O 3.37Å; R816-Y862 HydrophobicContact CG-CE1 4.32Å; R816-Y862 PolarHBondContact N-O 2.96Å; V820-Y862 HydrophobicContact CB-CE2 4.35Å; V820-Y862 HydrophobicContact CG1-CE2 4.36Å; V820-Y862 WeakPolarHBondContact O-CE2 3.41Å; V820-Y862 PolarHBondContact O-OH 3.48Å; E822-Y862 WeakPolarHBondContact CA-OH 3.38Å; E822-Y862 HydrophobicContact CB-CE1 3.95Å; E822-Y862 WeakPolarHBondContact CB-OH 3.47Å; E822-Y862 HydrophobicContact CG-CE1 3.92Å; E822-Y862 PolarHBondContact N-OH 3.15Å; F825-Y862 HydrophobicContact CB-CD2 3.83Å; F825-Y862 HydrophobicContact CB-CE2 3.71Å; F825-Y862 HydrophobicContact CD1-CD1 4.3Å; F825-Y862 AromaticContact CD1-CD2 3.55Å; F825-Y862 HydrophobicContact CD1-CD2 3.55Å; F825-Y862 HydrophobicContact CD1-CE2 4.24Å; F825-Y862 AromaticContact CD1-CG 3.61Å; F825-Y862 HydrophobicContact CD1-CG 3.61Å; F825-Y862 AromaticContact CD2-CD2 3.65Å; F825-Y862 HydrophobicContact CD2-CD2 3.65Å; F825-Y862 HydrophobicContact CD2-CE2 4.27Å; F825-Y862 HydrophobicContact CD2-CG 4.44Å; F825-Y862 VanDerWaalsContact CE1-CB 3.49Å; F825-Y862 AromaticContact CE1-CD2 3.99Å; F825-Y862 HydrophobicContact CE1-CD2 3.99Å; F825-Y862 AromaticContact CE1-CG 3.81Å; F825-Y862 HydrophobicContact CE1-CG 3.81Å; F825-Y862 HydrophobicContact CE2-CD2 4.08Å; F825-Y862 AromaticContact CG-CD2 3.36Å; F825-Y862 HydrophobicContact CG-CD2 3.36Å; F825-Y862 AromaticContact CG-CE2 3.81Å; F825-Y862 HydrophobicContact CG-CE2 3.81Å; F825-Y862 AromaticContact CG-CG 3.96Å; F825-Y862 HydrophobicContact CG-CG 3.96Å; F825-Y862 HydrophobicContact CZ-CD2 4.23Å; F825-Y862 HydrophobicContact CZ-CG 4.3Å; L858-Y862 PolarHBondContact O-N 3.37Å; L859-Y862 WeakPolarHBondContact O-CB 3.49Å; L859-Y862 PolarHBondContact O-N 3.44Å; L859-Y862 VanDerWaalsContact O-N 3.08Å; D860-Y862 VanDerWaalsContact C-N 3.32Å; D860-Y862 PolarHBondContact O-N 3.43Å
863	Y	98.1	Very high	88	Confident	75 Å²	75	48.1 Å²	48.1	29%	0.294	28%	0.278	S	S	.	.	H	α-helix	trans	-94.2	1.9	-177.9	-62.6	-75.3	0	0	0	113.9	E822 L859 D860	E822-Y863 WeakPolarHBondContact OE1-CE1 3.34Å; E822-Y863 PolarHBondContact OE1-OH 2.97Å; L859-Y863 HydrophobicContact CD2-CE2 4.35Å; L859-Y863 WeakPolarHBondContact O-CD2 3.34Å; L859-Y863 PolarHBondContact O-N 2.87Å; L859-Y863 VanDerWaalsContact O-N 3.16Å; D860-Y863 PolarHBondContact O-N 3.08Å
864	G	96.2	Very high	84.8	Confident	48 Å²	48	53.7 Å²	53.7	50%	0.495	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	32.7	-177.3	0	0	0	0	0	113.5	D860	D860-G864 PolarHBondContact O-N 2.69Å
865	R	97.4	Very high	81.6	Confident	92 Å²	92	63.2 Å²	63.2	35%	0.347	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-96.1	160.1	175.6	-61.9	-170.3	-60.3	-95.3	-4.7	111.3	N747 D860	N747-R865 PolarHBondContact ND2-O 3.37Å; N747-R865 PolarHBondContact OD1-O 2.84Å; D860-R865 HydrophobicContact CB-CB 3.99Å; D860-R865 PolarHBondContact O-N 2.68Å; D860-R865 IonicContact OD1-CZ 3.74Å; D860-R865 VanDerWaalsContact OD1-CZ 3.24Å; D860-R865 IonicContact OD1-NE 3.82Å; D860-R865 PolarHBondContact OD1-NE 3.15Å; D860-R865 IonicContact OD1-NH2 2.67Å; D860-R865 PolarHBondContact OD1-NH2 3.3Å
866	D	97.4	Very high	78.5	Confident	93 Å²	93	70 Å²	70	50%	0.497	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-88	136.8	170.9	-62.2	-44.4	0	0	0	110.6	N747 R750 V868	N747-D866 VanDerWaalsContact OD1-CA 3.3Å; N747-D866 WeakPolarHBondContact OD1-CA 3.49Å; R750-D866 VanDerWaalsContact CZ-CG 3.44Å; R750-D866 IonicContact CZ-OD1 2.67Å; R750-D866 IonicContact NE-OD1 2.61Å; R750-D866 IonicContact NH1-OD1 3.24Å; R750-D866 PolarHBondContact NH1-OD1 3.44Å; R750-D866 IonicContact NH2-OD1 2.82Å; R750-D866 PolarHBondContact NH2-OD1 2.83Å; R750-D866 IonicContact NH2-OD2 2.73Å; D866-V868 PolarHBondContact O-N 3.19Å
867	Y	97.2	Very high	75.4	Confident	19 Å²	19	77.2 Å²	77.2	8%	0.075	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-67.1	120.2	171.2	177.6	-98.4	0	0	0	110.5	N747 Y751 Q856 I857 E869	N747-Y867 PolarHBondContact OD1-N 3.04Å; Y751-Y867 HydrophobicContact CD2-CD1 4.26Å; Y751-Y867 AromaticContact CD2-CE1 3.62Å; Y751-Y867 HydrophobicContact CD2-CE1 3.62Å; Y751-Y867 AromaticContact CD2-CZ 3.76Å; Y751-Y867 HydrophobicContact CG-CE1 4.41Å; Q856-Y867 HydrophobicContact CB-CD2 4.46Å; Q856-Y867 HydrophobicContact CB-CE2 4.13Å; Q856-Y867 HydrophobicContact CG-CD2 4.02Å; Q856-Y867 HydrophobicContact CG-CE2 3.87Å; I857-Y867 HydrophobicContact CG1-CD2 3.65Å; I857-Y867 HydrophobicContact CG1-CE2 4.07Å; I857-Y867 HydrophobicContact CG1-CG 3.99Å; Y867-E869 HydrophobicContact CE1-CB 4.18Å
868	V	93.1	Very high	72.3	Confident	75 Å²	75	82 Å²	82	46%	0.455	46%	0.457	S	S	.	.			trans	-123.1	121.6	172.8	-176.4	0	0	0	0	108.6	D866 G870 E871	D866-V868 PolarHBondContact O-N 3.19Å; V868-G870 PolarHBondContact O-N 3.09Å; V868-E871 HydrophobicContact CG1-CG 4.49Å; V868-E871 PolarHBondContact O-N 3.46Å
869	E	80.9	Confident	69.2	Low	69 Å²	69	86.2 Å²	86.2	32%	0.322	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	130.6	-175.1	-173.9	160	-178.6	0	0	112.1	N754 R847 Y867	N754-E869 PolarHBondContact ND2-OE2 3.45Å; R847-E869 IonicContact CZ-OE1 2.95Å; R847-E869 IonicContact CZ-OE2 3.81Å; R847-E869 IonicContact NH1-OE1 3.24Å; R847-E869 IonicContact NH1-OE2 2.68Å; R847-E869 PolarHBondContact NH1-OE2 3.31Å; R847-E869 VanDerWaalsContact NH2-CD 3.27Å; R847-E869 IonicContact NH2-OE1 3.4Å; R847-E869 PolarHBondContact NH2-OE1 3.34Å; R847-E869 IonicContact NH2-OE2 2.62Å; R847-E869 PolarHBondContact NH2-OE2 3.39Å; Y867-E869 HydrophobicContact CE1-CB 4.18Å
870	G	68.5	Low	66.4	Low	73 Å²	73	91 Å²	91	75%	0.753	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.1	-13.9	179.8	0	0	0	0	0	115.3	V868 T872	V868-G870 PolarHBondContact O-N 3.09Å; G870-T872 PolarHBondContact O-N 3.46Å
871	E	55.7	Low	63.5	Low	140 Å²	140	95.7 Å²	95.7	65%	0.654	56%	0.564	S	S	*	*			trans	-86.9	90.1	172.1	-68.8	-169.6	172.4	0	0	110.1	V868	V868-E871 HydrophobicContact CG1-CG 4.49Å; V868-E871 PolarHBondContact O-N 3.46Å
872	T	44.3	Very low	60.7	Low	116 Å²	116	105.5 Å²	105.5	71%	0.712	61%	0.607	S	S	*	*			trans	-77.6	121.8	165.1	40.5	0	0	0	0	108.5	G870 T874	G870-T872 PolarHBondContact O-N 3.46Å; T872-T874 PolarHBondContact O-N 3.01Å
873	A	38.1	Very low	57.9	Low	67 Å²	67	110.2 Å²	110.2	55%	0.554	65%	0.647	S	S	*	*			trans	-57.5	104.9	179.5	0	0	0	0	0	110.3	K875	A873-K875 PolarHBondContact O-N 3.32Å
874	T	30.7	Very low	55.3	Low	130 Å²	130	116 Å²	116	80%	0.798	68%	0.676	S	S	*	*			trans	-65	124.8	172	32.3	0	0	0	0	108.6	T872 K876	T872-T874 PolarHBondContact O-N 3.01Å; T874-K876 PolarHBondContact O-N 3.3Å
875	K	31.6	Very low	52.6	Low	201 Å²	201	123.4 Å²	123.4	87%	0.874	70%	0.695	S	S	*	*			trans	-50.2	104.2	172.6	-77.6	179.8	173.8	179.6	0	109.8	A873 E877	A873-K875 PolarHBondContact O-N 3.32Å; K875-E877 PolarHBondContact O-N 2.83Å
876	K	32.3	Very low	50	Low	203 Å²	203	128.7 Å²	128.7	88%	0.883	72%	0.72	S	S	*	*			trans	-83.3	99.3	154.3	-90.4	-175.9	175.9	175.8	0	106.8	T874 A878	T874-K876 PolarHBondContact O-N 3.3Å; K876-A878 PolarHBondContact O-N 3.1Å
877	E	32.3	Very low	47.4	Very low	178 Å²	178	128.8 Å²	128.8	83%	0.832	74%	0.735	S	S	*	*			trans	-54.4	120.7	167.4	-70.2	178.4	155.7	0	0	109.5	K875 A879	K875-E877 PolarHBondContact O-N 2.83Å; E877-A879 PolarHBondContact O-N 3.35Å
878	A	34	Very low	45.1	Very low	100 Å²	100	138.1 Å²	138.1	83%	0.826	78%	0.775	S	S	*	*			trans	-73.1	105.8	167.8	0	0	0	0	0	108.7	K876	K876-A878 PolarHBondContact O-N 3.1Å
879	A	33.7	Very low	43.1	Very low	92 Å²	92	144.1 Å²	144.1	76%	0.76	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-68.7	136.9	168.2	0	0	0	0	0	110.1	E877	E877-A879 PolarHBondContact O-N 3.35Å
880	P	38.6	Very low	41.5	Very low	126 Å²	126	146.5 Å²	146.5	82%	0.818	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-75.4	147.8	-177	24.6	-23.9	0	0	0	112.7
881	A	36.7	Very low	40.6	Very low	106 Å²	106	151.6 Å²	151.6	88%	0.876	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-55.5	132.7	-174.3	0	0	0	0	0	114.7
882	K	40.4	Very low	39.9	Very low	209 Å²	209	152.2 Å²	152.2	91%	0.909	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-94.9	119.3	160.4	-84.6	-175.1	176.2	179.6	0	109.9
883	A	39.7	Very low	39.7	Very low	103 Å²	103	154.1 Å²	154.1	85%	0.851	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-77.2	128.6	165.4	0	0	0	0	0	110.3
884	E	42.3	Very low	39.7	Very low	195 Å²	195	158.9 Å²	158.9	91%	0.911	89%	0.89	S	S	*	*			trans	-124.9	113.4	163.8	-103.2	-178.2	176.8	0	0	110.3
885	K	40.6	Very low	40.3	Very low	205 Å²	205	160.6 Å²	160.6	89%	0.891	90%	0.896	S	S	*	*			trans	-74.6	130	161.9	-82.4	173.4	170.4	173.1	0	108.7
886	K	42.8	Very low	40.8	Very low	202 Å²	202	158.1 Å²	158.1	88%	0.878	90%	0.897	S	S	*	*				176.8	114.1	125.9	-99.4	169.4	-178.8	179.9	0	113.2
887	A	43.1	Very low	41.4	Very low	96 Å²	96	155.1 Å²	155.1	79%	0.793	90%	0.898	S	S	*	*			trans	37.2	120.5	133.2	0	0	0	0	0	120.7
888	K	48.4	Very low	42	Very low	214 Å²	214	153.4 Å²	153.4	93%	0.93	90%	0.903	S	S	*	*			trans	-135.7	125.7	134.7	-89	-174.7	178	175.9	0	110.3
889	K	50	Low	42.7	Very low	202 Å²	202	157.5 Å²	157.5	88%	0.878	91%	0.908	S	S	*	*			trans	-78.6	152.5	168.3	-91.2	176	168	178.8	0	109.7
890	S	47.6	Very low	43.4	Very low	118 Å²	118	163 Å²	163	83%	0.825	92%	0.921	S	S	*	*			trans	63.9	93.8	152.9	63	0	0	0	0	119.1
891	A	50.9	Low	43.8	Very low	180 Å²	180	166.4 Å²	166.4	100%	1.488	93%	0.93	S	S	*	*				-169.5	0	112.8	0	0	0	0	0	108.2

Retrieved 891 of 891 residues in 1276.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).