A0A087YEW9_POEFO Loading...

DNA 5'-3' helicase

AlphaFold DB , UniProt , Accession A0A087YEW9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,163 aa.

						>A0A087YEW9_POEFO|A0A087YEW9
MASPVEYTIGGVKVHFPCKAYPSQLAMMNSIMRGLNYGQHCLLESPTGSGKSLALLCSALGWQQAQMAKVKEGGGHVGDRSQSNKHVGDSKKSEPPRPCPCECHRAAAQPAVVDLTESPCKETAQPSHTASEHMPLPGESQTKSQSLASRLSEKVQASLDPDCDKDEDFRPDRKRNRTSEYKSHKRQRTQQGVIFIDDEPELDSETSGPQSWKTASTHQGAGLSSSSSSSEPCSRCPCASAKDNLKSKDKDKDGNKKIPKIFFGTRTHKQITQIAHELKRTVYSGVHMTILSSRDHTCVNPDVAPHFNRNERCKDLLQAKDGRSCRFYHGVQKMRDQHTLQWVHGLREAWDIEDLVSLGKRLRACSYYAARELMQDASIIFCPYNYLLDPIIRESMEIDLEGQILVLDEAHNIEDCARESASYTLELSGLQMTKDELDGMVHSNIRRSKHESLRNFCYALINWIQESQALLSERGFESACKVWSGKDILTVFHSLGVTFDTFSNMKQNLASVLEKEERVGLVNGKEDMVQVPIISASTTTVLKNLFMVLDFLYRDSCGFAEDYRIALQRSYAWTNQVPPDLPDAQGFLVRPHHRHRQNARVKKEVLTLSFWCLNPAVAFSDLSGSVRSIVLTSGTLSPMGSFSSELGVKFTIQLEANHVINKSQVWVGTVGAGPQGRKLCATFQHSETFAFQDEVGDLLLHVCRVMAKGVLCFLPSYKMLDKLKDRWVNTGLWEKLDQEKTVITEPRGGGKGDFDELLQMYYDAIKTCEGRDGALLIAVCRGKVSEGLDFTDDNARAVVTIGIPFPNIKDLQVELKMKYNDQHCKSRGLLPGHRWYEIQAYRALNQALGRCIRHRNDWGALILVDDRYKNNPNKYIAGLSKWVRQLVQHHNTFSNAMQSLEAFTKSFSGEPEPRRTSSFDKPSYSQQNTITQLKTEHHNTADPLKGLQSAPAKQLSAQHLYHIFTISPTNTNLKMPIFKAKPANCSVRPGALQISSPPVNLEILHTKQTDGNCLSENTEAPGVSTITTPPGFKSESPVPAKSSDDDEDKSVFYTPELFEDEGNLPKENHVSSPRIDPDTERSATPSQELAPAFGEQSVASASKQSTKLSQGQKEDTEALQQSEKTEEDESQNRQRGSRLHRLSRSRQRVSLSQAGNHQSGHTE
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.9	Very low	79.6	Confident	228 Å²	228	80.1 Å²	80.1	100%	1.123	51%	0.512	S	S	*	.				0	164.9	0	-67.8	-177.6	176.8	0	0	108.9
2	A	49.5	Very low	80.7	Confident	71 Å²	71	73.6 Å²	73.6	59%	0.587	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-67.2	152.9	164.9	0	0	0	0	0	109.9
3	S	65.3	Low	81.7	Confident	97 Å²	97	76.9 Å²	76.9	68%	0.678	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-68.8	138.9	170.6	42	0	0	0	0	110.2	V5	S3-V5 PolarHBondContact O-N 2.99Å
4	P	78.5	Confident	82.7	Confident	73 Å²	73	71.4 Å²	71.4	47%	0.474	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-66	134.6	176	27.4	-33.5	0	0	0	110.2	F16 V282	P4-F16 CarbonylContact C-O 3.45Å; P4-F16 VanDerWaalsContact CA-O 3.26Å; P4-F16 WeakPolarHBondContact CA-O 3.41Å; P4-V282 HydrophobicContact CB-CG1 4.16Å; P4-V282 HydrophobicContact CG-CG1 4.23Å
5	V	91.8	Very high	83.4	Confident	48 Å²	48	70.6 Å²	70.6	29%	0.291	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	128.6	179.1	-174.8	0	0	0	0	108.7	S3 Y7 F16	S3-V5 PolarHBondContact O-N 2.99Å; V5-Y7 HydrophobicContact CB-CD2 4.47Å; V5-Y7 HydrophobicContact CB-CE2 3.79Å; V5-Y7 HydrophobicContact CG1-CD2 4.17Å; V5-Y7 HydrophobicContact CG1-CE1 4.14Å; V5-Y7 HydrophobicContact CG1-CE2 3.57Å; V5-F16 PolarHBondContact N-O 3.39Å; V5-F16 PolarHBondContact O-N 3.29Å
6	E	93.2	Very high	84	Confident	83 Å²	83	66.3 Å²	66.3	39%	0.388	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	128.1	172.4	-165.9	-166.2	100.2	0	0	110.4	K13 H15	E6-K13 HydrophobicContact CG-CB 4.23Å; E6-K13 HydrophobicContact CG-CG 4.38Å; E6-K13 IonicContact OE1-NZ 2.65Å; E6-K13 PolarHBondContact OE1-NZ 3.17Å; E6-K13 IonicContact OE2-NZ 2.73Å; E6-K13 PolarHBondContact OE2-NZ 3.21Å; E6-H15 IonicContact OE2-CE1 2.79Å; E6-H15 PolarHBondContact OE2-CE1 2.87Å
7	Y	94.4	Very high	84.4	Confident	44 Å²	44	64.2 Å²	64.2	17%	0.173	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.1	173	-66.2	-80.3	0	0	0	109.7	V5 I9 V14 F16 K19 A20 L25	V5-Y7 HydrophobicContact CB-CD2 4.47Å; V5-Y7 HydrophobicContact CB-CE2 3.79Å; V5-Y7 HydrophobicContact CG1-CD2 4.17Å; V5-Y7 HydrophobicContact CG1-CE1 4.14Å; V5-Y7 HydrophobicContact CG1-CE2 3.57Å; Y7-I9 PolarHBondContact O-N 2.9Å; Y7-V14 PolarHBondContact N-O 3.48Å; Y7-V14 PolarHBondContact O-N 2.86Å; Y7-F16 HydrophobicContact CD2-CB 3.96Å; Y7-F16 HydrophobicContact CE2-CB 3.89Å; Y7-K19 WeakPolarHBondContact OH-CA 3.47Å; Y7-A20 HydrophobicContact CE2-CB 3.84Å; Y7-A20 PolarHBondContact OH-N 2.97Å; Y7-L25 HydrophobicContact CD1-CD2 3.72Å; Y7-L25 HydrophobicContact CE1-CD2 3.81Å; Y7-L25 HydrophobicContact CG-CD2 4.16Å
8	T	94.3	Very high	84.6	Confident	104 Å²	104	63.2 Å²	63.2	64%	0.638	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	110.4	169.7	-64.2	0	0	0	0	109.2	V12	T8-V12 CarbonylContact C-O 3.55Å; T8-V12 WeakPolarHBondContact CA-O 3.25Å
9	I	92.2	Very high	84.9	Confident	18 Å²	18	68.9 Å²	68.9	9%	0.092	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	122.1	-175.9	-55.3	-179.3	0	0	0	108.6	Y7 G11 V12 L25 M28 N29 M32	Y7-I9 PolarHBondContact O-N 2.9Å; I9-G11 PolarHBondContact O-N 3.45Å; I9-G11 VanDerWaalsContact O-N 3.17Å; I9-V12 PolarHBondContact N-O 2.91Å; I9-V12 PolarHBondContact O-N 3.42Å; I9-L25 HydrophobicContact CD1-CD2 4.44Å; I9-M28 HydrophobicContact CD1-CB 3.74Å; I9-M28 HydrophobicContact CD1-CE 4.08Å; I9-M28 HydrophobicContact CD1-SD 4.39Å; I9-N29 HydrophobicContact CG2-CB 4.06Å; I9-M32 HydrophobicContact CB-CG 4.28Å; I9-M32 HydrophobicContact CG2-CB 4.07Å; I9-M32 HydrophobicContact CG2-CG 3.84Å
10	G	86.1	Confident	85.1	Confident	47 Å²	47	65.9 Å²	65.9	49%	0.485	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	28.6	178	0	0	0	0	0	114.9	V12 N36	G10-V12 VanDerWaalsContact C-N 3.33Å; G10-N36 PolarHBondContact O-ND2 2.79Å
11	G	87.9	Confident	85.4	Confident	68 Å²	68	65.2 Å²	65.2	70%	0.701	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	8.6	-174.7	0	0	0	0	0	115	I9	I9-G11 PolarHBondContact O-N 3.45Å; I9-G11 VanDerWaalsContact O-N 3.17Å
12	V	92.6	Very high	87.6	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.012	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.8	177.4	174.6	0	0	0	0	110.1	T8 I9 G10 V14 M32 G61 A65	T8-V12 CarbonylContact C-O 3.55Å; T8-V12 WeakPolarHBondContact CA-O 3.25Å; I9-V12 PolarHBondContact N-O 2.91Å; I9-V12 PolarHBondContact O-N 3.42Å; G10-V12 VanDerWaalsContact C-N 3.33Å; V12-V14 HydrophobicContact CG1-CG2 4.3Å; V12-M32 HydrophobicContact CB-CE 3.74Å; V12-M32 HydrophobicContact CB-SD 3.9Å; V12-M32 HydrophobicContact CG1-CE 3.44Å; V12-M32 VanDerWaalsContact CG1-CE 3.44Å; V12-M32 HydrophobicContact CG1-SD 4.17Å; V12-M32 HydrophobicContact CG2-CE 4.33Å; V12-M32 HydrophobicContact CG2-SD 3.95Å; V12-G61 WeakPolarHBondContact CG1-O 3.36Å; V12-A65 HydrophobicContact CB-CB 4.42Å; V12-A65 HydrophobicContact CG1-CB 3.85Å; V12-A65 HydrophobicContact CG2-CB 3.93Å
13	K	93.7	Very high	89.5	Confident	117 Å²	117	56.7 Å²	56.7	51%	0.509	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	118.2	167.3	-71.5	172.9	165.5	-80.7	0	109.1	E6	E6-K13 HydrophobicContact CG-CB 4.23Å; E6-K13 HydrophobicContact CG-CG 4.38Å; E6-K13 IonicContact OE1-NZ 2.65Å; E6-K13 PolarHBondContact OE1-NZ 3.17Å; E6-K13 IonicContact OE2-NZ 2.73Å; E6-K13 PolarHBondContact OE2-NZ 3.21Å
14	V	94.8	Very high	90.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	110.1	173.1	-178.3	0	0	0	0	108.3	Y7 V12 M28 M32 C57	Y7-V14 PolarHBondContact N-O 3.48Å; Y7-V14 PolarHBondContact O-N 2.86Å; V12-V14 HydrophobicContact CG1-CG2 4.3Å; V14-M28 HydrophobicContact CG1-SD 4Å; V14-M32 HydrophobicContact CG2-CE 3.28Å; V14-C57 HydrophobicContact CG1-CB 3.95Å
15	H	93.8	Very high	91.5	Very high	59 Å²	59	51.6 Å²	51.6	27%	0.273	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	131.4	166.6	-56.8	-73.2	0	0	0	109.1	E6 V282 Y283	E6-H15 IonicContact OE2-CE1 2.79Å; E6-H15 PolarHBondContact OE2-CE1 2.87Å; H15-V282 HydrophobicContact CB-CG2 3.45Å; H15-V282 VanDerWaalsContact CB-CG2 3.45Å; H15-Y283 PolarHBondContact N-OH 2.99Å; H15-Y283 VanDerWaalsContact O-CE2 3.3Å; H15-Y283 WeakPolarHBondContact O-CE2 3.46Å; H15-Y283 PolarHBondContact O-OH 3.06Å
16	F	93.4	Very high	91.5	Very high	1 Å²	1	51.1 Å²	51.1	0%	0.004	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.7	178.2	-151	-110.1	0	0	0	108.9	P4 V5 Y7 C18 A20 M28 L53 C57	P4-F16 CarbonylContact C-O 3.45Å; P4-F16 VanDerWaalsContact CA-O 3.26Å; P4-F16 WeakPolarHBondContact CA-O 3.41Å; V5-F16 PolarHBondContact N-O 3.39Å; V5-F16 PolarHBondContact O-N 3.29Å; Y7-F16 HydrophobicContact CD2-CB 3.96Å; Y7-F16 HydrophobicContact CE2-CB 3.89Å; F16-C18 WeakPolarHBondContact CD1-O 3.47Å; F16-C18 PolarHBondContact O-N 3Å; F16-A20 HydrophobicContact CD1-CB 3.76Å; F16-A20 HydrophobicContact CE1-CB 3.83Å; F16-A20 HydrophobicContact CG-CB 4.41Å; F16-M28 HydrophobicContact CD2-CE 4.26Å; F16-M28 HydrophobicContact CD2-SD 3.9Å; F16-M28 HydrophobicContact CE2-CE 4.31Å; F16-M28 HydrophobicContact CE2-SD 3.9Å; F16-L53 HydrophobicContact CE1-CD2 3.92Å; F16-L53 HydrophobicContact CE1-CG 4.41Å; F16-L53 HydrophobicContact CE2-CD2 4.22Å; F16-L53 HydrophobicContact CE2-CG 3.8Å; F16-L53 HydrophobicContact CZ-CB 4.33Å; F16-L53 HydrophobicContact CZ-CD2 3.63Å; F16-L53 HydrophobicContact CZ-CG 3.66Å; F16-C57 HydrophobicContact CD2-CB 3.67Å; F16-C57 HydrophobicContact CE2-CB 3.94Å
17	P	90.2	Very high	91.6	Very high	32 Å²	32	47.2 Å²	47.2	21%	0.208	28%	0.279	C	S	.	.	S	Bend	trans	-74.9	2.1	-171.8	32.5	-38.4	0	0	0	114.5	L53 R280 T281	P17-L53 HydrophobicContact CG-CD1 3.93Å; P17-L53 HydrophobicContact CG-CD2 3.78Å; P17-L53 HydrophobicContact CG-CG 4.35Å; P17-R280 WeakPolarHBondContact CB-O 3.25Å; P17-T281 HydrophobicContact CG-CG2 4.31Å
18	C	88.8	Confident	91.6	Very high	45 Å²	45	45.1 Å²	45.1	30%	0.304	27%	0.27	S	S	.	.	S	Bend	trans	-157.5	-176.6	179	65.9	0	0	0	0	110.8	F16 A20	F16-C18 WeakPolarHBondContact CD1-O 3.47Å; F16-C18 PolarHBondContact O-N 3Å; C18-A20 PolarHBondContact O-N 3.36Å
19	K	89.5	Confident	91.7	Very high	173 Å²	173	44.6 Å²	44.6	75%	0.752	26%	0.264	S	S	*	.			trans	-75.2	111.2	169.5	-174.7	176	-178.9	176.8	0	109.8	Y7	Y7-K19 WeakPolarHBondContact OH-CA 3.47Å
20	A	90	Very high	91.9	Very high	8 Å²	8	44.5 Å²	44.5	7%	0.066	26%	0.264	C	S	.	.			trans	-65.2	146	-179.1	0	0	0	0	0	112.9	Y7 F16 C18 Q24 L25 M28	Y7-A20 HydrophobicContact CE2-CB 3.84Å; Y7-A20 PolarHBondContact OH-N 2.97Å; F16-A20 HydrophobicContact CD1-CB 3.76Å; F16-A20 HydrophobicContact CE1-CB 3.83Å; F16-A20 HydrophobicContact CG-CB 4.41Å; C18-A20 PolarHBondContact O-N 3.36Å; A20-Q24 HydrophobicContact CB-CB 4.28Å; A20-L25 HydrophobicContact CB-CD2 4.08Å; A20-L25 HydrophobicContact CB-CG 4.01Å; A20-M28 HydrophobicContact CB-CE 3.96Å
21	Y	90	Very high	92.3	Very high	52 Å²	52	42.3 Å²	42.3	20%	0.204	24%	0.242	C	C	.	.			trans	-75.1	157.2	174	-56.7	-47.5	0	0	0	112.2	S23 Q24 L25 V659 R855	Y21-S23 PolarHBondContact O-N 3.49Å; Y21-Q24 HydrophobicContact CD2-CG 4.26Å; Y21-Q24 VanDerWaalsContact CD2-OE1 3.31Å; Y21-Q24 WeakPolarHBondContact O-CB 3.49Å; Y21-Q24 PolarHBondContact O-N 3.21Å; Y21-L25 WeakPolarHBondContact O-CG 3.42Å; Y21-L25 PolarHBondContact O-N 2.81Å; Y21-V659 HydrophobicContact CD2-CG1 3.91Å; Y21-V659 HydrophobicContact CG-CG1 4.04Å; Y21-R855 HydrophobicContact CE1-CG 4.3Å; Y21-R855 WeakPolarHBondContact OH-CG 3.32Å; Y21-R855 PolarHBondContact OH-NH1 3.14Å
22	P	89.6	Confident	92.7	Very high	109 Å²	109	39.1 Å²	39.1	71%	0.708	21%	0.208	S	C	*	.	H	α-helix	trans	-55.7	-35.4	175.5	-26.9	35.8	0	0	0	113.8	L25 A26	P22-L25 PolarHBondContact O-N 3.01Å; P22-A26 WeakPolarHBondContact O-CB 3.48Å; P22-A26 PolarHBondContact O-N 3.13Å
23	S	89.1	Confident	92.9	Very high	11 Å²	11	44.5 Å²	44.5	8%	0.077	23%	0.229	C	C	.	.	H	α-helix	trans	-64	-47.2	172.8	46.5	0	0	0	0	112.3	Y21 L25 A26 M27 V659	Y21-S23 PolarHBondContact O-N 3.49Å; S23-L25 PolarHBondContact O-N 3.44Å; S23-A26 PolarHBondContact O-N 2.67Å; S23-M27 WeakPolarHBondContact O-CB 3.1Å; S23-M27 PolarHBondContact O-N 3.29Å; S23-V659 VanDerWaalsContact OG-CG1 3.28Å; S23-V659 WeakPolarHBondContact OG-CG1 3.41Å
24	Q	92.6	Very high	92.9	Very high	4 Å²	4	39 Å²	39	2%	0.019	21%	0.205	C	C	.	.	H	α-helix	trans	-62.6	-40.1	175.5	-66.1	176.4	-50.3	0	0	111.8	A20 Y21 M27 M28 S49 G50 A54	A20-Q24 HydrophobicContact CB-CB 4.28Å; Y21-Q24 HydrophobicContact CD2-CG 4.26Å; Y21-Q24 VanDerWaalsContact CD2-OE1 3.31Å; Y21-Q24 WeakPolarHBondContact O-CB 3.49Å; Y21-Q24 PolarHBondContact O-N 3.21Å; Q24-M27 PolarHBondContact O-N 2.81Å; Q24-M28 WeakPolarHBondContact O-CB 3.42Å; Q24-M28 VanDerWaalsContact O-CG 3.3Å; Q24-M28 WeakPolarHBondContact O-CG 3.4Å; Q24-M28 PolarHBondContact O-N 3.37Å; Q24-S49 VanDerWaalsContact CD-O 3.3Å; Q24-S49 WeakPolarHBondContact CG-O 3.45Å; Q24-S49 PolarHBondContact NE2-O 2.98Å; Q24-G50 PolarHBondContact NE2-O 2.91Å; Q24-A54 HydrophobicContact CB-CB 4.21Å; Q24-A54 HydrophobicContact CG-CB 4.29Å
25	L	93	Very high	93	Very high	59 Å²	59	39 Å²	39	31%	0.309	21%	0.205	S	C	.	.	H	α-helix	trans	-64.4	-43.7	176.4	-70.8	166.5	0	0	0	112	Y7 I9 A20 Y21 P22 S23 M27 M28 N29	Y7-L25 HydrophobicContact CD1-CD2 3.72Å; Y7-L25 HydrophobicContact CE1-CD2 3.81Å; Y7-L25 HydrophobicContact CG-CD2 4.16Å; I9-L25 HydrophobicContact CD1-CD2 4.44Å; A20-L25 HydrophobicContact CB-CD2 4.08Å; A20-L25 HydrophobicContact CB-CG 4.01Å; Y21-L25 WeakPolarHBondContact O-CG 3.42Å; Y21-L25 PolarHBondContact O-N 2.81Å; P22-L25 PolarHBondContact O-N 3.01Å; S23-L25 PolarHBondContact O-N 3.44Å; L25-M27 VanDerWaalsContact C-N 3.34Å; L25-M28 HydrophobicContact CD2-CE 3.98Å; L25-N29 WeakPolarHBondContact O-CB 3.37Å; L25-N29 PolarHBondContact O-N 3.04Å
26	A	93.1	Very high	93	Very high	38 Å²	38	38.7 Å²	38.7	31%	0.314	21%	0.205	S	C	.	.	H	α-helix	trans	-62.2	-41.8	173.7	0	0	0	0	0	111.8	P22 S23 N29 S30 L654	P22-A26 WeakPolarHBondContact O-CB 3.48Å; P22-A26 PolarHBondContact O-N 3.13Å; S23-A26 PolarHBondContact O-N 2.67Å; A26-N29 PolarHBondContact O-N 2.9Å; A26-S30 PolarHBondContact O-N 3.04Å; A26-S30 PolarHBondContact O-OG 3Å; A26-L654 HydrophobicContact CB-CD1 4.37Å; A26-L654 HydrophobicContact CB-CD2 4.12Å
27	M	93.9	Very high	92.9	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-51.1	176.8	-167.3	-177.4	-171.2	0	0	111.8	S23 Q24 L25 N29 S30 I31 L43 K51 A54 L55 T632 L654	S23-M27 WeakPolarHBondContact O-CB 3.1Å; S23-M27 PolarHBondContact O-N 3.29Å; Q24-M27 PolarHBondContact O-N 2.81Å; L25-M27 VanDerWaalsContact C-N 3.34Å; M27-N29 VanDerWaalsContact C-N 3.3Å; M27-N29 PolarHBondContact O-N 2.95Å; M27-S30 PolarHBondContact O-N 3.08Å; M27-I31 HydrophobicContact CG-CD1 4.02Å; M27-I31 VanDerWaalsContact O-CG1 3.27Å; M27-I31 WeakPolarHBondContact O-CG1 3.03Å; M27-I31 PolarHBondContact O-N 3.3Å; M27-L43 HydrophobicContact CE-CD1 4.41Å; M27-L43 HydrophobicContact CG-CD1 4Å; M27-K51 HydrophobicContact CE-CB 4.09Å; M27-K51 HydrophobicContact SD-CB 4.16Å; M27-A54 HydrophobicContact SD-CB 3.91Å; M27-L55 HydrophobicContact CE-CD1 3.77Å; M27-L55 HydrophobicContact CE-CD2 4.01Å; M27-L55 HydrophobicContact CE-CG 3.68Å; M27-T632 HydrophobicContact CE-CG2 3.7Å; M27-L654 HydrophobicContact CB-CD2 4.28Å
28	M	95.5	Very high	93.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-36.1	177.7	-70.2	-172.1	-69.8	0	0	112.5	I9 V14 F16 A20 Q24 L25 I31 M32 A54	I9-M28 HydrophobicContact CD1-CB 3.74Å; I9-M28 HydrophobicContact CD1-CE 4.08Å; I9-M28 HydrophobicContact CD1-SD 4.39Å; V14-M28 HydrophobicContact CG1-SD 4Å; F16-M28 HydrophobicContact CD2-CE 4.26Å; F16-M28 HydrophobicContact CD2-SD 3.9Å; F16-M28 HydrophobicContact CE2-CE 4.31Å; F16-M28 HydrophobicContact CE2-SD 3.9Å; A20-M28 HydrophobicContact CB-CE 3.96Å; Q24-M28 WeakPolarHBondContact O-CB 3.42Å; Q24-M28 VanDerWaalsContact O-CG 3.3Å; Q24-M28 WeakPolarHBondContact O-CG 3.4Å; Q24-M28 PolarHBondContact O-N 3.37Å; L25-M28 HydrophobicContact CD2-CE 3.98Å; M28-I31 PolarHBondContact O-N 3.42Å; M28-M32 WeakPolarHBondContact O-CB 3.45Å; M28-M32 WeakPolarHBondContact O-CG 3.41Å; M28-M32 PolarHBondContact O-N 2.84Å; M28-A54 HydrophobicContact CG-CB 3.97Å
29	N	95.4	Very high	93.3	Very high	92 Å²	92	47.8 Å²	47.8	49%	0.492	24%	0.243	S	C	.	.	H	α-helix	trans	-65.1	-45.9	174.1	-170.6	13.4	0	0	0	111.8	I9 L25 A26 M27 I31 M32 R33	I9-N29 HydrophobicContact CG2-CB 4.06Å; L25-N29 WeakPolarHBondContact O-CB 3.37Å; L25-N29 PolarHBondContact O-N 3.04Å; A26-N29 PolarHBondContact O-N 2.9Å; M27-N29 VanDerWaalsContact C-N 3.3Å; M27-N29 PolarHBondContact O-N 2.95Å; N29-I31 VanDerWaalsContact C-N 3.34Å; N29-I31 PolarHBondContact O-N 3.11Å; N29-M32 PolarHBondContact O-N 3.41Å; N29-R33 WeakPolarHBondContact O-CB 3.23Å; N29-R33 PolarHBondContact O-N 2.86Å
30	S	96	Very high	93.6	Very high	16 Å²	16	41 Å²	41	11%	0.112	21%	0.214	C	C	.	.	H	α-helix	trans	-60.3	-42.1	174.6	-71	0	0	0	0	112.4	A26 M27 R33 G34 C41	A26-S30 PolarHBondContact O-N 3.04Å; A26-S30 PolarHBondContact O-OG 3Å; M27-S30 PolarHBondContact O-N 3.08Å; S30-R33 PolarHBondContact O-N 3.29Å; S30-G34 PolarHBondContact O-N 2.65Å; S30-C41 PolarHBondContact O-SG 3.33Å
31	I	96.4	Very high	93.9	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-64	-49.4	176.6	-63.2	162.9	0	0	0	110.7	M27 M28 N29 R33 G34 L35 L43 L55 S58 V630	M27-I31 HydrophobicContact CG-CD1 4.02Å; M27-I31 VanDerWaalsContact O-CG1 3.27Å; M27-I31 WeakPolarHBondContact O-CG1 3.03Å; M27-I31 PolarHBondContact O-N 3.3Å; M28-I31 PolarHBondContact O-N 3.42Å; N29-I31 VanDerWaalsContact C-N 3.34Å; N29-I31 PolarHBondContact O-N 3.11Å; I31-R33 VanDerWaalsContact C-N 3.28Å; I31-R33 PolarHBondContact O-N 2.73Å; I31-G34 WeakPolarHBondContact O-CA 3.46Å; I31-G34 PolarHBondContact O-N 3.4Å; I31-L35 HydrophobicContact CG2-CD1 3.85Å; I31-L35 HydrophobicContact CG2-CG 4.05Å; I31-L35 WeakPolarHBondContact O-CG 3.5Å; I31-L35 PolarHBondContact O-N 3.47Å; I31-L43 HydrophobicContact CD1-CD1 4.06Å; I31-L43 HydrophobicContact CG1-CD1 3.55Å; I31-L55 HydrophobicContact CD1-CD2 3.57Å; I31-L55 HydrophobicContact CD1-CG 4.21Å; I31-L55 HydrophobicContact CG1-CD2 4.42Å; I31-S58 VanDerWaalsContact CD1-OG 3.28Å; I31-S58 WeakPolarHBondContact CD1-OG 3.45Å; I31-S58 WeakPolarHBondContact CG2-OG 3.49Å; I31-V630 HydrophobicContact CD1-CG1 4.37Å; I31-V630 HydrophobicContact CG1-CG1 3.89Å; I31-V630 HydrophobicContact CG2-CG2 4.45Å
32	M	96	Very high	94.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58	-40.2	178.1	-78.9	-62.5	178.6	0	0	112.6	I9 V12 V14 M28 N29 N36 S58 W62	I9-M32 HydrophobicContact CB-CG 4.28Å; I9-M32 HydrophobicContact CG2-CB 4.07Å; I9-M32 HydrophobicContact CG2-CG 3.84Å; V12-M32 HydrophobicContact CB-CE 3.74Å; V12-M32 HydrophobicContact CB-SD 3.9Å; V12-M32 HydrophobicContact CG1-CE 3.44Å; V12-M32 VanDerWaalsContact CG1-CE 3.44Å; V12-M32 HydrophobicContact CG1-SD 4.17Å; V12-M32 HydrophobicContact CG2-CE 4.33Å; V12-M32 HydrophobicContact CG2-SD 3.95Å; V14-M32 HydrophobicContact CG2-CE 3.28Å; M28-M32 WeakPolarHBondContact O-CB 3.45Å; M28-M32 WeakPolarHBondContact O-CG 3.41Å; M28-M32 PolarHBondContact O-N 2.84Å; N29-M32 PolarHBondContact O-N 3.41Å; M32-N36 VanDerWaalsContact O-CB 3.26Å; M32-N36 WeakPolarHBondContact O-CB 3.37Å; M32-N36 VanDerWaalsContact O-CG 3.3Å; M32-N36 PolarHBondContact O-N 2.94Å; M32-N36 PolarHBondContact O-ND2 2.86Å; M32-S58 WeakPolarHBondContact CE-O 3.47Å; M32-W62 HydrophobicContact CE-CB 4.01Å; M32-W62 HydrophobicContact SD-CB 3.86Å; M32-W62 HydrophobicContact SD-CG 4.27Å
33	R	95.4	Very high	94.3	Very high	116 Å²	116	33 Å²	33	44%	0.438	17%	0.168	S	C	.	.	H	α-helix	trans	-63	-43.7	174.4	-164	177	89.5	-166.4	7.3	111.2	N29 S30 I31 Y37 I652	N29-R33 WeakPolarHBondContact O-CB 3.23Å; N29-R33 PolarHBondContact O-N 2.86Å; S30-R33 PolarHBondContact O-N 3.29Å; I31-R33 VanDerWaalsContact C-N 3.28Å; I31-R33 PolarHBondContact O-N 2.73Å; R33-Y37 HydrophobicContact CG-CD2 3.86Å; R33-Y37 HydrophobicContact CG-CE2 3.99Å; R33-Y37 VanDerWaalsContact O-CD2 3.25Å; R33-Y37 WeakPolarHBondContact O-CD2 3.38Å; R33-Y37 PolarHBondContact O-N 2.94Å; R33-I652 HydrophobicContact CB-CD1 3.88Å; R33-I652 HydrophobicContact CG-CD1 3.97Å
34	G	95.1	Very high	94.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.1	-54.3	175.5	0	0	0	0	0	113.2	S30 I31 N36 Y37 G38 Q39	S30-G34 PolarHBondContact O-N 2.65Å; I31-G34 WeakPolarHBondContact O-CA 3.46Å; I31-G34 PolarHBondContact O-N 3.4Å; G34-N36 PolarHBondContact O-N 2.79Å; G34-Y37 PolarHBondContact O-N 3.28Å; G34-G38 PolarHBondContact O-N 2.87Å; G34-Q39 WeakPolarHBondContact CA-O 3.48Å; G34-Q39 PolarHBondContact O-N 2.81Å
35	L	95.6	Very high	94.1	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-67.9	-35	-175.9	-59.7	-174.6	0	0	0	112.9	I31 A59 W62 I404 R627 V630	I31-L35 HydrophobicContact CG2-CD1 3.85Å; I31-L35 HydrophobicContact CG2-CG 4.05Å; I31-L35 WeakPolarHBondContact O-CG 3.5Å; I31-L35 PolarHBondContact O-N 3.47Å; L35-A59 HydrophobicContact CD1-CB 4.37Å; L35-W62 HydrophobicContact CB-CD2 3.73Å; L35-W62 HydrophobicContact CB-CE3 4.44Å; L35-W62 HydrophobicContact CB-CG 3.75Å; L35-W62 HydrophobicContact CB-CZ2 4.35Å; L35-W62 HydrophobicContact CD1-CB 3.85Å; L35-W62 HydrophobicContact CD1-CD2 4.1Å; L35-W62 HydrophobicContact CD1-CE3 4.4Å; L35-W62 HydrophobicContact CD1-CG 3.85Å; L35-W62 HydrophobicContact CG-CG 4.48Å; L35-W62 WeakPolarHBondContact O-CZ2 3.37Å; L35-I404 HydrophobicContact CD2-CD1 3.99Å; L35-I404 HydrophobicContact CD2-CG1 4.15Å; L35-I404 HydrophobicContact CD2-CG2 3.67Å; L35-R627 PolarHBondContact O-NE 2.75Å; L35-R627 PolarHBondContact O-NH2 3.12Å; L35-V630 HydrophobicContact CD2-CG2 4.19Å
36	N	93.6	Very high	93.5	Very high	52 Å²	52	30.5 Å²	30.5	28%	0.278	15%	0.154	S	C	.	.	H	α-helix	trans	-64.3	-48.2	174.4	-80.6	-21.9	0	0	0	112.1	G10 M32 G34 W62 R627	G10-N36 PolarHBondContact O-ND2 2.79Å; M32-N36 VanDerWaalsContact O-CB 3.26Å; M32-N36 WeakPolarHBondContact O-CB 3.37Å; M32-N36 VanDerWaalsContact O-CG 3.3Å; M32-N36 PolarHBondContact O-N 2.94Å; M32-N36 PolarHBondContact O-ND2 2.86Å; G34-N36 PolarHBondContact O-N 2.79Å; N36-W62 PolarHBondContact OD1-NE1 3.33Å; N36-R627 PolarHBondContact O-NH2 2.83Å
37	Y	93.1	Very high	92.8	Very high	170 Å²	170	30.3 Å²	30.3	67%	0.667	15%	0.149	S	C	*	.	H	α-helix	trans	-92.8	-1.6	-173.7	-64	-61.8	0	0	0	115.4	R33 G34	R33-Y37 HydrophobicContact CG-CD2 3.86Å; R33-Y37 HydrophobicContact CG-CE2 3.99Å; R33-Y37 VanDerWaalsContact O-CD2 3.25Å; R33-Y37 WeakPolarHBondContact O-CD2 3.38Å; R33-Y37 PolarHBondContact O-N 2.94Å; G34-Y37 PolarHBondContact O-N 3.28Å
38	G	93.1	Very high	91.9	Very high	32 Å²	32	31.3 Å²	31.3	33%	0.33	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	40.3	-175.1	0	0	0	0	0	112.2	G34 R627	G34-G38 PolarHBondContact O-N 2.87Å; G38-R627 CarbonylContact C-O 3.58Å; G38-R627 VanDerWaalsContact CA-O 3.27Å; G38-R627 WeakPolarHBondContact CA-O 3.25Å
39	Q	94.3	Very high	90.9	Very high	67 Å²	67	31.3 Å²	31.3	31%	0.313	16%	0.16	S	C	.	.			trans	-112.4	138.9	-174.3	-78.4	179.6	-8.4	0	0	110.8	G34 S628 T651 I652	G34-Q39 WeakPolarHBondContact CA-O 3.48Å; G34-Q39 PolarHBondContact O-N 2.81Å; Q39-S628 PolarHBondContact O-OG 2.94Å; Q39-T651 WeakPolarHBondContact CB-OG1 3.37Å; Q39-I652 HydrophobicContact CB-CD1 4.19Å; Q39-I652 HydrophobicContact CB-CG1 4.37Å
40	H	95.3	Very high	90.2	Very high	32 Å²	32	28.5 Å²	28.5	15%	0.148	15%	0.153	C	C	.	.			trans	-76.3	139.4	174.7	-41	-77	0	0	0	111.6	I629 V648 F650 T651 I652	H40-I629 CarbonylContact C-O 3.58Å; H40-I629 VanDerWaalsContact CA-O 3.26Å; H40-I629 WeakPolarHBondContact CA-O 3.41Å; H40-I629 HydrophobicContact CB-CB 4.28Å; H40-I629 PolarHBondContact ND1-N 3.02Å; H40-V648 HydrophobicContact CB-CG1 4.27Å; H40-F650 HydrophobicContact CB-CD1 3.61Å; H40-F650 HydrophobicContact CB-CE1 3.94Å; H40-F650 HydrophobicContact CB-CG 4.49Å; H40-T651 PolarHBondContact O-N 3.35Å; H40-I652 PolarHBondContact O-N 3.46Å
41	C	96.1	Very high	89.9	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.8	-178.3	-62.4	0	0	0	0	111.3	S30 L43 I629 V630 L631 I652	S30-C41 PolarHBondContact O-SG 3.33Å; C41-L43 HydrophobicContact CB-CD1 4.27Å; C41-L43 HydrophobicContact CB-CD2 4.12Å; C41-L43 HydrophobicContact CB-CG 4.11Å; C41-I629 PolarHBondContact N-O 3.46Å; C41-V630 HydrophobicContact CB-CG1 4.36Å; C41-V630 HydrophobicContact CB-CG2 4.32Å; C41-L631 PolarHBondContact O-N 2.79Å; C41-I652 CarbonylContact C-O 3.59Å; C41-I652 WeakPolarHBondContact CA-O 3.35Å; C41-I652 HydrophobicContact CB-CB 4.37Å
42	L	95.1	Very high	89.6	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	112.3	170.8	-175.3	64.4	0	0	0	108.1	L631 L636 M639 F642 F650 I652 Q653 L654	L42-L631 WeakPolarHBondContact CA-O 3.45Å; L42-L631 HydrophobicContact CD1-CB 4.22Å; L42-L631 HydrophobicContact CD1-CD2 3.76Å; L42-L631 HydrophobicContact CD1-CG 4.43Å; L42-L636 HydrophobicContact CD1-CD1 3.8Å; L42-L636 HydrophobicContact CG-CD1 4.41Å; L42-M639 HydrophobicContact CB-CE 4.25Å; L42-M639 HydrophobicContact CD2-CB 3.95Å; L42-M639 HydrophobicContact CD2-CE 4.26Å; L42-M639 WeakPolarHBondContact CD2-O 3.28Å; L42-M639 HydrophobicContact CG-CE 3.84Å; L42-M639 WeakPolarHBondContact O-CE 3.15Å; L42-F642 HydrophobicContact CD1-CD1 3.61Å; L42-F642 HydrophobicContact CD1-CE1 3.68Å; L42-F642 HydrophobicContact CD2-CD1 4.08Å; L42-F650 HydrophobicContact CB-CB 3.63Å; L42-F650 HydrophobicContact CB-CD1 3.88Å; L42-F650 HydrophobicContact CB-CD2 4.21Å; L42-F650 HydrophobicContact CB-CG 3.64Å; L42-F650 HydrophobicContact CD2-CB 4.43Å; L42-F650 HydrophobicContact CD2-CD2 4.16Å; L42-F650 HydrophobicContact CD2-CG 4.37Å; L42-F650 HydrophobicContact CG-CG 4.46Å; L42-I652 PolarHBondContact N-O 2.96Å; L42-Q653 HydrophobicContact CB-CG 4.4Å; L42-Q653 VanDerWaalsContact O-CA 3.32Å; L42-Q653 WeakPolarHBondContact O-CA 3.34Å; L42-L654 PolarHBondContact O-N 3.36Å; L42-L654 VanDerWaalsContact O-N 3.11Å
43	L	93.7	Very high	89.4	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	106.6	-168.5	-42.9	170.2	0	0	0	110.6	M27 I31 C41 V630 L631 T632 L654	M27-L43 HydrophobicContact CE-CD1 4.41Å; M27-L43 HydrophobicContact CG-CD1 4Å; I31-L43 HydrophobicContact CD1-CD1 4.06Å; I31-L43 HydrophobicContact CG1-CD1 3.55Å; C41-L43 HydrophobicContact CB-CD1 4.27Å; C41-L43 HydrophobicContact CB-CD2 4.12Å; C41-L43 HydrophobicContact CB-CG 4.11Å; L43-V630 HydrophobicContact CD1-CG1 4.07Å; L43-L631 PolarHBondContact N-O 3.45Å; L43-T632 HydrophobicContact CB-CG2 3.97Å; L43-T632 HydrophobicContact CD1-CG2 4.16Å; L43-T632 HydrophobicContact CG-CG2 4.36Å; L43-T632 WeakPolarHBondContact O-CA 3.48Å; L43-L654 HydrophobicContact CD2-CB 3.63Å; L43-L654 HydrophobicContact CD2-CD2 4.38Å
44	E	90.1	Very high	89.3	Confident	9 Å²	9	25 Å²	25	4%	0.042	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	118.3	170	-172.1	169.6	-170.5	0	0	109.1	S633 L636 S637 M639 L654 A656	E44-S633 WeakPolarHBondContact CA-O 3.44Å; E44-L636 HydrophobicContact CB-CB 4.2Å; E44-L636 HydrophobicContact CG-CB 4.35Å; E44-S637 PolarHBondContact OE1-N 3.49Å; E44-S637 WeakPolarHBondContact OE2-CA 3.26Å; E44-S637 VanDerWaalsContact OE2-CB 3.26Å; E44-S637 WeakPolarHBondContact OE2-CB 3.34Å; E44-S637 PolarHBondContact OE2-N 2.94Å; E44-S637 VanDerWaalsContact OE2-N 3.08Å; E44-S637 PolarHBondContact OE2-OG 3.08Å; E44-M639 HydrophobicContact CB-CE 4.32Å; E44-M639 HydrophobicContact CB-SD 4.33Å; E44-L654 PolarHBondContact N-O 3.25Å; E44-A656 WeakPolarHBondContact O-CB 3.44Å; E44-A656 PolarHBondContact O-N 2.79Å
45	S	86.2	Confident	89.3	Confident	2 Å²	2	25.1 Å²	25.1	1%	0.014	14%	0.142	C	C	.	.			trans	-135.3	117.8	177.9	-166.1	0	0	0	0	110.3	S49 S633 G634	S45-S49 PolarHBondContact OG-OG 3.2Å; S45-S633 PolarHBondContact N-O 3.36Å; S45-S633 VanDerWaalsContact N-O 3.12Å; S45-G634 VanDerWaalsContact O-CA 3.3Å; S45-G634 WeakPolarHBondContact O-CA 3.37Å
46	P	81.1	Confident	89.3	Confident	9 Å²	9	25.1 Å²	25.1	6%	0.058	14%	0.142	C	C	.	.			trans	-58.6	163.9	-174	-27.5	34.8	0	0	0	115.4	S49 A656 H658	P46-S49 VanDerWaalsContact O-CB 3.24Å; P46-S49 WeakPolarHBondContact O-CB 3.45Å; P46-S49 PolarHBondContact O-N 3.39Å; P46-S49 PolarHBondContact O-OG 3.31Å; P46-A656 VanDerWaalsContact CD-O 3.3Å; P46-A656 WeakPolarHBondContact CD-O 3.33Å; P46-H658 HydrophobicContact CB-CB 4.43Å; P46-H658 WeakPolarHBondContact CB-CD2 3.41Å; P46-H658 HydrophobicContact CG-CB 4.35Å
47	T	78.1	Confident	89.4	Confident	34 Å²	34	22.6 Å²	22.6	21%	0.209	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	151.1	174.4	44.9	0	0	0	0	111.8	S49 H658	T47-S49 PolarHBondContact O-N 3.46Å; T47-H658 PolarHBondContact O-CE1 3.03Å; T47-H658 VanDerWaalsContact O-CE1 3.29Å; T47-H658 PolarHBondContact O-NE2 3.03Å
48	G	73.8	Confident	89.5	Confident	23 Å²	23	14.5 Å²	14.5	24%	0.237	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	3.2	-177.4	0	0	0	0	0	117.3	G50 R853	G48-G50 PolarHBondContact O-N 3.38Å; G48-R853 VanDerWaalsContact CA-C 3.5Å; G48-R853 WeakPolarHBondContact CA-O 3.41Å
49	S	76.2	Confident	89.7	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	-74.5	-6	175.3	63	0	0	0	0	114.6	Q24 S45 P46 T47	Q24-S49 VanDerWaalsContact CD-O 3.3Å; Q24-S49 WeakPolarHBondContact CG-O 3.45Å; Q24-S49 PolarHBondContact NE2-O 2.98Å; S45-S49 PolarHBondContact OG-OG 3.2Å; P46-S49 VanDerWaalsContact O-CB 3.24Å; P46-S49 WeakPolarHBondContact O-CB 3.45Å; P46-S49 PolarHBondContact O-N 3.39Å; P46-S49 PolarHBondContact O-OG 3.31Å; T47-S49 PolarHBondContact O-N 3.46Å
50	G	80.8	Confident	89.8	Confident	33 Å²	33	9.9 Å²	9.9	34%	0.34	7%	0.068	S	C	.	.			trans	68.8	39.8	-175.1	0	0	0	0	0	113.3	Q24 G48 A54	Q24-G50 PolarHBondContact NE2-O 2.91Å; G48-G50 PolarHBondContact O-N 3.38Å; G50-A54 PolarHBondContact O-N 3.47Å
51	K	88.4	Confident	89.9	Confident	24 Å²	24	8.5 Å²	8.5	10%	0.104	6%	0.061	C	C	.	.	H	α-helix	trans	-62.3	-44.3	-172.3	77.9	-157.9	-158.2	-38.7	0	114.2	M27 L53 A54 L55 D408 E409	M27-K51 HydrophobicContact CE-CB 4.09Å; M27-K51 HydrophobicContact SD-CB 4.16Å; K51-L53 VanDerWaalsContact C-N 3.33Å; K51-L53 PolarHBondContact O-N 3.45Å; K51-A54 WeakPolarHBondContact O-CB 3.44Å; K51-A54 PolarHBondContact O-N 2.93Å; K51-A54 VanDerWaalsContact O-N 3.12Å; K51-L55 PolarHBondContact O-N 3.2Å; K51-D408 WeakPolarHBondContact CE-OD1 3.44Å; K51-D408 IonicContact NZ-OD1 2.69Å; K51-D408 PolarHBondContact NZ-OD1 2.79Å; K51-D408 IonicContact NZ-OD2 2.61Å; K51-D408 PolarHBondContact NZ-OD2 3Å; K51-E409 WeakPolarHBondContact CE-OE1 3.3Å; K51-E409 IonicContact NZ-OE1 3.82Å; K51-E409 PolarHBondContact NZ-OE1 3.45Å
52	S	90.4	Very high	89.9	Confident	22 Å²	22	8.7 Å²	8.7	15%	0.154	6%	0.062	C	C	.	.	H	α-helix	trans	-68	-34.2	-175	-41.4	0	0	0	0	111.7	L55 L56 D408	S52-L55 WeakPolarHBondContact O-CB 3.48Å; S52-L55 PolarHBondContact O-N 3.02Å; S52-L56 WeakPolarHBondContact O-CG 3.27Å; S52-L56 PolarHBondContact O-N 3.36Å; S52-D408 WeakPolarHBondContact CB-OD2 3.37Å; S52-D408 PolarHBondContact OG-OD2 2.71Å
53	L	91.8	Very high	89.9	Confident	14 Å²	14	8.9 Å²	8.9	7%	0.073	6%	0.063	C	C	.	.	H	α-helix	trans	-67.1	-39.1	171.8	-177.2	65.6	0	0	0	112.4	F16 P17 K51 L55 C57 T281	F16-L53 HydrophobicContact CE1-CD2 3.92Å; F16-L53 HydrophobicContact CE1-CG 4.41Å; F16-L53 HydrophobicContact CE2-CD2 4.22Å; F16-L53 HydrophobicContact CE2-CG 3.8Å; F16-L53 HydrophobicContact CZ-CB 4.33Å; F16-L53 HydrophobicContact CZ-CD2 3.63Å; F16-L53 HydrophobicContact CZ-CG 3.66Å; P17-L53 HydrophobicContact CG-CD1 3.93Å; P17-L53 HydrophobicContact CG-CD2 3.78Å; P17-L53 HydrophobicContact CG-CG 4.35Å; K51-L53 VanDerWaalsContact C-N 3.33Å; K51-L53 PolarHBondContact O-N 3.45Å; L53-L55 VanDerWaalsContact C-N 3.33Å; L53-C57 WeakPolarHBondContact O-CB 3.33Å; L53-C57 PolarHBondContact O-N 3.45Å; L53-C57 PolarHBondContact O-SG 2.84Å; L53-T281 HydrophobicContact CD1-CG2 3.6Å
54	A	93.8	Very high	89.9	Confident	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.9	-37.6	173.4	0	0	0	0	0	112.1	Q24 M27 M28 G50 K51 S58	Q24-A54 HydrophobicContact CB-CB 4.21Å; Q24-A54 HydrophobicContact CG-CB 4.29Å; M27-A54 HydrophobicContact SD-CB 3.91Å; M28-A54 HydrophobicContact CG-CB 3.97Å; G50-A54 PolarHBondContact O-N 3.47Å; K51-A54 WeakPolarHBondContact O-CB 3.44Å; K51-A54 PolarHBondContact O-N 2.93Å; K51-A54 VanDerWaalsContact O-N 3.12Å; A54-S58 WeakPolarHBondContact O-CB 3.15Å; A54-S58 PolarHBondContact O-N 3.33Å; A54-S58 PolarHBondContact O-OG 2.92Å
55	L	95.1	Very high	90.1	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-64.9	-53.3	174.3	-72.8	156.6	0	0	0	112	M27 I31 K51 S52 L53 S58 A59 F263 V406 D408 V630 T632	M27-L55 HydrophobicContact CE-CD1 3.77Å; M27-L55 HydrophobicContact CE-CD2 4.01Å; M27-L55 HydrophobicContact CE-CG 3.68Å; I31-L55 HydrophobicContact CD1-CD2 3.57Å; I31-L55 HydrophobicContact CD1-CG 4.21Å; I31-L55 HydrophobicContact CG1-CD2 4.42Å; K51-L55 PolarHBondContact O-N 3.2Å; S52-L55 WeakPolarHBondContact O-CB 3.48Å; S52-L55 PolarHBondContact O-N 3.02Å; L53-L55 VanDerWaalsContact C-N 3.33Å; L55-S58 PolarHBondContact O-OG 3.48Å; L55-A59 WeakPolarHBondContact O-CB 3.39Å; L55-A59 PolarHBondContact O-N 2.89Å; L55-F263 HydrophobicContact CB-CE2 3.99Å; L55-F263 HydrophobicContact CB-CZ 4.15Å; L55-F263 HydrophobicContact CD1-CZ 4.45Å; L55-V406 HydrophobicContact CB-CG1 4.29Å; L55-V406 HydrophobicContact CD2-CG1 3.81Å; L55-V406 HydrophobicContact CG-CG1 4.45Å; L55-D408 HydrophobicContact CD1-CB 4.27Å; L55-V630 HydrophobicContact CD2-CG1 3.56Å; L55-T632 HydrophobicContact CD1-CG2 3.95Å; L55-T632 WeakPolarHBondContact CD1-OG1 3.48Å; L55-T632 HydrophobicContact CD2-CG2 3.74Å; L55-T632 HydrophobicContact CG-CG2 4.38Å
56	L	95.4	Very high	90.4	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-54.5	-56.8	177.5	-74.6	175.2	0	0	0	111.8	S52 S58 A59 L60 F263 I274 E277 L278 I379 F381	S52-L56 WeakPolarHBondContact O-CG 3.27Å; S52-L56 PolarHBondContact O-N 3.36Å; L56-S58 VanDerWaalsContact C-N 3.35Å; L56-S58 PolarHBondContact O-N 3.33Å; L56-A59 PolarHBondContact O-N 3.04Å; L56-L60 HydrophobicContact CB-CD1 4.44Å; L56-L60 HydrophobicContact CD2-CD1 4.42Å; L56-L60 VanDerWaalsContact O-CB 3.27Å; L56-L60 WeakPolarHBondContact O-CB 3.46Å; L56-L60 VanDerWaalsContact O-CG 3.29Å; L56-L60 WeakPolarHBondContact O-CG 3.49Å; L56-L60 PolarHBondContact O-N 3.36Å; L56-F263 HydrophobicContact CD2-CD2 4.05Å; L56-F263 HydrophobicContact CD2-CE2 3.9Å; L56-F263 HydrophobicContact CG-CE2 4.21Å; L56-I274 HydrophobicContact CD1-CG2 3.94Å; L56-I274 HydrophobicContact CD2-CG2 4.07Å; L56-I274 HydrophobicContact CG-CG2 4.23Å; L56-E277 HydrophobicContact CD1-CB 4.34Å; L56-L278 HydrophobicContact CD1-CB 3.94Å; L56-I379 HydrophobicContact CD2-CD1 3.9Å; L56-F381 HydrophobicContact CD2-CE1 4.02Å; L56-F381 HydrophobicContact CD2-CZ 3.96Å
57	C	95.9	Very high	90.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.1	-37.3	-173.4	-65.4	0	0	0	0	112.8	V14 F16 L53 G61 Y283	V14-C57 HydrophobicContact CG1-CB 3.95Å; F16-C57 HydrophobicContact CD2-CB 3.67Å; F16-C57 HydrophobicContact CE2-CB 3.94Å; L53-C57 WeakPolarHBondContact O-CB 3.33Å; L53-C57 PolarHBondContact O-N 3.45Å; L53-C57 PolarHBondContact O-SG 2.84Å; C57-G61 PolarHBondContact O-N 3.3Å; C57-Y283 HydrophobicContact CB-CE2 3.89Å
58	S	96.2	Very high	91.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-76	-40.5	179	57.1	0	0	0	0	113	I31 M32 A54 L55 L56 W62	I31-S58 VanDerWaalsContact CD1-OG 3.28Å; I31-S58 WeakPolarHBondContact CD1-OG 3.45Å; I31-S58 WeakPolarHBondContact CG2-OG 3.49Å; M32-S58 WeakPolarHBondContact CE-O 3.47Å; A54-S58 WeakPolarHBondContact O-CB 3.15Å; A54-S58 PolarHBondContact O-N 3.33Å; A54-S58 PolarHBondContact O-OG 2.92Å; L55-S58 PolarHBondContact O-OG 3.48Å; L56-S58 VanDerWaalsContact C-N 3.35Å; L56-S58 PolarHBondContact O-N 3.33Å; S58-W62 VanDerWaalsContact O-CB 3.27Å; S58-W62 WeakPolarHBondContact O-CB 3.28Å; S58-W62 PolarHBondContact O-N 2.84Å
59	A	96.4	Very high	92.2	Very high	2 Å²	2	21.3 Å²	21.3	2%	0.017	12%	0.121	C	C	.	.	H	α-helix	trans	-66.9	-45.8	176.8	0	0	0	0	0	112	L35 L55 L56 W62 Q63 I261	L35-A59 HydrophobicContact CD1-CB 4.37Å; L55-A59 WeakPolarHBondContact O-CB 3.39Å; L55-A59 PolarHBondContact O-N 2.89Å; L56-A59 PolarHBondContact O-N 3.04Å; A59-W62 PolarHBondContact O-N 2.78Å; A59-Q63 WeakPolarHBondContact O-CB 3.32Å; A59-Q63 PolarHBondContact O-N 3.4Å; A59-I261 HydrophobicContact CB-CD1 3.87Å; A59-I261 HydrophobicContact CB-CG1 4.49Å; A59-I261 HydrophobicContact CB-CG2 4.46Å
60	L	96.8	Very high	92.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-70.3	-41.9	179.9	-66.6	168	0	0	0	112	L56 W62 Q63 Q64 I261 L278 Y283 V286 I379	L56-L60 HydrophobicContact CB-CD1 4.44Å; L56-L60 HydrophobicContact CD2-CD1 4.42Å; L56-L60 VanDerWaalsContact O-CB 3.27Å; L56-L60 WeakPolarHBondContact O-CB 3.46Å; L56-L60 VanDerWaalsContact O-CG 3.29Å; L56-L60 WeakPolarHBondContact O-CG 3.49Å; L56-L60 PolarHBondContact O-N 3.36Å; L60-W62 VanDerWaalsContact C-N 3.32Å; L60-W62 PolarHBondContact O-N 3.3Å; L60-Q63 PolarHBondContact O-N 2.98Å; L60-Q64 WeakPolarHBondContact O-CB 3.26Å; L60-Q64 WeakPolarHBondContact O-CG 3.3Å; L60-Q64 PolarHBondContact O-N 3.07Å; L60-I261 HydrophobicContact CD2-CD1 3.96Å; L60-I261 HydrophobicContact CG-CD1 4.45Å; L60-L278 HydrophobicContact CD1-CD1 3.5Å; L60-Y283 HydrophobicContact CB-CD1 3.86Å; L60-Y283 HydrophobicContact CB-CD2 4.42Å; L60-Y283 HydrophobicContact CB-CE1 4.27Å; L60-Y283 HydrophobicContact CB-CG 3.96Å; L60-Y283 HydrophobicContact CD1-CD2 4.41Å; L60-Y283 HydrophobicContact CD1-CG 4.09Å; L60-V286 HydrophobicContact CD2-CG1 4.08Å; L60-I379 HydrophobicContact CD1-CD1 4.43Å; L60-I379 HydrophobicContact CD2-CB 4.21Å; L60-I379 HydrophobicContact CD2-CD1 4.16Å; L60-I379 HydrophobicContact CD2-CG2 4.3Å; L60-I379 HydrophobicContact CG-CD1 4.44Å
61	G	95.8	Very high	92.7	Very high	2 Å²	2	30.8 Å²	30.8	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-60.7	-39.5	173	0	0	0	0	0	112.5	V12 C57 A65	V12-G61 WeakPolarHBondContact CG1-O 3.36Å; C57-G61 PolarHBondContact O-N 3.3Å; G61-A65 WeakPolarHBondContact O-CB 3.4Å; G61-A65 PolarHBondContact O-N 2.81Å
62	W	96.5	Very high	92.2	Very high	5 Å²	5	36.3 Å²	36.3	2%	0.019	18%	0.184	C	C	.	.	H	α-helix	trans	-62.5	-47.6	173.6	-177.3	89.1	0	0	0	111.8	M32 L35 N36 S58 A59 L60 A65 Q66 P259 I404	M32-W62 HydrophobicContact CE-CB 4.01Å; M32-W62 HydrophobicContact SD-CB 3.86Å; M32-W62 HydrophobicContact SD-CG 4.27Å; L35-W62 HydrophobicContact CB-CD2 3.73Å; L35-W62 HydrophobicContact CB-CE3 4.44Å; L35-W62 HydrophobicContact CB-CG 3.75Å; L35-W62 HydrophobicContact CB-CZ2 4.35Å; L35-W62 HydrophobicContact CD1-CB 3.85Å; L35-W62 HydrophobicContact CD1-CD2 4.1Å; L35-W62 HydrophobicContact CD1-CE3 4.4Å; L35-W62 HydrophobicContact CD1-CG 3.85Å; L35-W62 HydrophobicContact CG-CG 4.48Å; L35-W62 WeakPolarHBondContact O-CZ2 3.37Å; N36-W62 PolarHBondContact OD1-NE1 3.33Å; S58-W62 VanDerWaalsContact O-CB 3.27Å; S58-W62 WeakPolarHBondContact O-CB 3.28Å; S58-W62 PolarHBondContact O-N 2.84Å; A59-W62 PolarHBondContact O-N 2.78Å; L60-W62 VanDerWaalsContact C-N 3.32Å; L60-W62 PolarHBondContact O-N 3.3Å; W62-A65 PolarHBondContact O-N 3.11Å; W62-Q66 HydrophobicContact CD2-CG 4.07Å; W62-Q66 HydrophobicContact CE3-CG 3.99Å; W62-Q66 HydrophobicContact CH2-CG 3.61Å; W62-Q66 HydrophobicContact CZ2-CG 3.69Å; W62-Q66 HydrophobicContact CZ3-CG 3.75Å; W62-Q66 VanDerWaalsContact NE1-NE2 3.13Å; W62-Q66 WeakPolarHBondContact O-CG 3.3Å; W62-Q66 PolarHBondContact O-N 3.12Å; W62-P259 HydrophobicContact CH2-CG 4.38Å; W62-P259 HydrophobicContact CZ3-CG 4.47Å; W62-I404 HydrophobicContact CE3-CD1 3.76Å; W62-I404 HydrophobicContact CH2-CD1 4.08Å; W62-I404 HydrophobicContact CZ3-CD1 3.39Å
63	Q	95.4	Very high	90.7	Very high	4 Å²	4	38 Å²	38	2%	0.019	21%	0.205	C	C	.	.	H	α-helix	trans	-63.4	-44.7	-178.8	-168.8	-175	51.7	0	0	111.4	A59 L60 A65 Q66 M67 I258 P259 I261 S378	A59-Q63 WeakPolarHBondContact O-CB 3.32Å; A59-Q63 PolarHBondContact O-N 3.4Å; L60-Q63 PolarHBondContact O-N 2.98Å; Q63-A65 VanDerWaalsContact C-N 3.32Å; Q63-A65 PolarHBondContact O-N 2.87Å; Q63-Q66 PolarHBondContact O-N 2.66Å; Q63-Q66 VanDerWaalsContact O-N 3.14Å; Q63-M67 HydrophobicContact CG-CE 4.09Å; Q63-M67 WeakPolarHBondContact O-CG 3.17Å; Q63-M67 PolarHBondContact O-N 3.37Å; Q63-I258 HydrophobicContact CG-CG2 3.93Å; Q63-P259 PolarHBondContact NE2-O 3.07Å; Q63-I261 HydrophobicContact CB-CD1 4.09Å; Q63-I261 HydrophobicContact CG-CD1 4.44Å; Q63-S378 PolarHBondContact NE2-O 3.09Å
64	Q	93.9	Very high	88.9	Confident	77 Å²	77	40.9 Å²	40.9	36%	0.36	24%	0.238	S	C	.	.	H	α-helix	trans	-60.4	-39	173.5	-73.8	-173.8	-12.5	0	0	112.3	L60 Q66 M67 A68	L60-Q64 WeakPolarHBondContact O-CB 3.26Å; L60-Q64 WeakPolarHBondContact O-CG 3.3Å; L60-Q64 PolarHBondContact O-N 3.07Å; Q64-Q66 VanDerWaalsContact C-N 3.32Å; Q64-Q66 PolarHBondContact O-N 3.39Å; Q64-M67 WeakPolarHBondContact O-CB 3.04Å; Q64-M67 PolarHBondContact O-N 2.86Å; Q64-M67 VanDerWaalsContact O-N 3.14Å; Q64-A68 PolarHBondContact O-N 2.98Å
65	A	93.8	Very high	86.4	Confident	21 Å²	21	43.6 Å²	43.6	17%	0.174	27%	0.266	C	S	.	.	H	α-helix	trans	-67.5	-28.5	175.6	0	0	0	0	0	113.4	V12 G61 W62 Q63 K69	V12-A65 HydrophobicContact CB-CB 4.42Å; V12-A65 HydrophobicContact CG1-CB 3.85Å; V12-A65 HydrophobicContact CG2-CB 3.93Å; G61-A65 WeakPolarHBondContact O-CB 3.4Å; G61-A65 PolarHBondContact O-N 2.81Å; W62-A65 PolarHBondContact O-N 3.11Å; Q63-A65 VanDerWaalsContact C-N 3.32Å; Q63-A65 PolarHBondContact O-N 2.87Å; A65-K69 WeakPolarHBondContact O-CD 3.48Å; A65-K69 VanDerWaalsContact O-CG 3.28Å; A65-K69 WeakPolarHBondContact O-CG 3.5Å; A65-K69 PolarHBondContact O-N 3.46Å
66	Q	93.2	Very high	83.7	Confident	39 Å²	39	51.5 Å²	51.5	18%	0.182	30%	0.302	C	S	.	.	H	α-helix	trans	-74.5	-36.9	168.4	-50.3	-45.4	-34.7	0	0	111.6	W62 Q63 Q64 A68 K69 V70 I258	W62-Q66 HydrophobicContact CD2-CG 4.07Å; W62-Q66 HydrophobicContact CE3-CG 3.99Å; W62-Q66 HydrophobicContact CH2-CG 3.61Å; W62-Q66 HydrophobicContact CZ2-CG 3.69Å; W62-Q66 HydrophobicContact CZ3-CG 3.75Å; W62-Q66 VanDerWaalsContact NE1-NE2 3.13Å; W62-Q66 WeakPolarHBondContact O-CG 3.3Å; W62-Q66 PolarHBondContact O-N 3.12Å; Q63-Q66 PolarHBondContact O-N 2.66Å; Q63-Q66 VanDerWaalsContact O-N 3.14Å; Q64-Q66 VanDerWaalsContact C-N 3.32Å; Q64-Q66 PolarHBondContact O-N 3.39Å; Q66-A68 VanDerWaalsContact C-N 3.32Å; Q66-A68 PolarHBondContact O-N 3.23Å; Q66-K69 PolarHBondContact O-N 3.03Å; Q66-V70 WeakPolarHBondContact O-CG2 3.24Å; Q66-V70 PolarHBondContact O-N 2.72Å; Q66-I258 HydrophobicContact CB-CD1 4.41Å; Q66-I258 HydrophobicContact CB-CG1 4.39Å; Q66-I258 HydrophobicContact CB-CG2 4.2Å
67	M	91.1	Very high	81.1	Confident	59 Å²	59	59 Å²	59	29%	0.291	35%	0.348	S	S	.	.	H	α-helix	trans	-61.8	-37.1	175	-69.6	175	173.4	0	0	112.6	Q63 Q64 K71 I258	Q63-M67 HydrophobicContact CG-CE 4.09Å; Q63-M67 WeakPolarHBondContact O-CG 3.17Å; Q63-M67 PolarHBondContact O-N 3.37Å; Q64-M67 WeakPolarHBondContact O-CB 3.04Å; Q64-M67 PolarHBondContact O-N 2.86Å; Q64-M67 VanDerWaalsContact O-N 3.14Å; M67-K71 VanDerWaalsContact O-CG 3.3Å; M67-K71 WeakPolarHBondContact O-CG 3.26Å; M67-K71 PolarHBondContact O-N 3.08Å; M67-I258 VanDerWaalsContact CA-CD1 3.45Å; M67-I258 HydrophobicContact CB-CD1 4.04Å; M67-I258 HydrophobicContact CG-CD1 3.5Å; M67-I258 VanDerWaalsContact CG-CD1 3.5Å; M67-I258 HydrophobicContact CG-CG2 4.46Å
68	A	90.3	Very high	78.1	Confident	38 Å²	38	61.6 Å²	61.6	31%	0.314	37%	0.374	S	S	.	.	H	α-helix	trans	-63	-53.5	171.4	0	0	0	0	0	111.4	Q64 Q66 V70 K71 E72	Q64-A68 PolarHBondContact O-N 2.98Å; Q66-A68 VanDerWaalsContact C-N 3.32Å; Q66-A68 PolarHBondContact O-N 3.23Å; A68-V70 VanDerWaalsContact C-N 3.31Å; A68-V70 PolarHBondContact O-N 3.39Å; A68-K71 WeakPolarHBondContact O-CB 3.49Å; A68-K71 PolarHBondContact O-N 3.01Å; A68-E72 WeakPolarHBondContact O-CG 3.37Å; A68-E72 PolarHBondContact O-N 2.96Å
69	K	89.1	Confident	75.1	Confident	104 Å²	104	68 Å²	68	45%	0.452	41%	0.409	S	S	.	.	H	α-helix	trans	-57.7	-37.3	-179	-71.6	167.2	-172.7	171.3	0	113.9	A65 Q66 G73	A65-K69 WeakPolarHBondContact O-CD 3.48Å; A65-K69 VanDerWaalsContact O-CG 3.28Å; A65-K69 WeakPolarHBondContact O-CG 3.5Å; A65-K69 PolarHBondContact O-N 3.46Å; Q66-K69 PolarHBondContact O-N 3.03Å; K69-G73 PolarHBondContact O-N 2.91Å
70	V	86.9	Confident	72.1	Confident	63 Å²	63	80 Å²	80	38%	0.382	45%	0.454	S	S	.	.	H	α-helix	trans	-70.2	-38.5	176.6	172.8	0	0	0	0	111.4	Q66 A68 G74 I258	Q66-V70 WeakPolarHBondContact O-CG2 3.24Å; Q66-V70 PolarHBondContact O-N 2.72Å; A68-V70 VanDerWaalsContact C-N 3.31Å; A68-V70 PolarHBondContact O-N 3.39Å; V70-G74 PolarHBondContact O-N 2.82Å; V70-G74 VanDerWaalsContact O-N 3.17Å; V70-I258 HydrophobicContact CB-CD1 4.26Å; V70-I258 HydrophobicContact CG2-CD1 3.96Å; V70-I258 HydrophobicContact CG2-CG1 4.15Å
71	K	81.1	Confident	69	Low	170 Å²	170	84.1 Å²	84.1	74%	0.739	48%	0.482	S	S	*	.	H	α-helix	trans	-67.4	-40.1	175.2	-71.8	173.1	-179.5	-178.3	0	112.5	M67 A68	M67-K71 VanDerWaalsContact O-CG 3.3Å; M67-K71 WeakPolarHBondContact O-CG 3.26Å; M67-K71 PolarHBondContact O-N 3.08Å; A68-K71 WeakPolarHBondContact O-CB 3.49Å; A68-K71 PolarHBondContact O-N 3.01Å
72	E	78.1	Confident	66.1	Low	139 Å²	139	92.8 Å²	92.8	65%	0.65	52%	0.522	S	S	*	.	H	α-helix	trans	-71.6	-44.9	177.9	-69.8	165	-172.8	0	0	111.7	A68 G74 G75	A68-E72 WeakPolarHBondContact O-CG 3.37Å; A68-E72 PolarHBondContact O-N 2.96Å; E72-G74 VanDerWaalsContact C-N 3.31Å; E72-G74 PolarHBondContact O-N 3.19Å; E72-G75 PolarHBondContact O-N 3.32Å
73	G	59.3	Low	62.9	Low	59 Å²	59	97.7 Å²	97.7	61%	0.608	56%	0.557	S	S	*	*	H	α-helix	trans	-67.6	-25.8	-179.7	0	0	0	0	0	114.6	K69 G75	K69-G73 PolarHBondContact O-N 2.91Å; G73-G75 PolarHBondContact O-N 3.19Å
74	G	52	Low	59.7	Low	74 Å²	74	104.7 Å²	104.7	76%	0.763	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-6.4	176.5	0	0	0	0	0	115.2	V70 E72	V70-G74 PolarHBondContact O-N 2.82Å; V70-G74 VanDerWaalsContact O-N 3.17Å; E72-G74 VanDerWaalsContact C-N 3.31Å; E72-G74 PolarHBondContact O-N 3.19Å
75	G	42.6	Very low	56.7	Low	56 Å²	56	109.5 Å²	109.5	58%	0.577	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	-4	-170.9	0	0	0	0	0	116.9	E72 G73	E72-G75 PolarHBondContact O-N 3.32Å; G73-G75 PolarHBondContact O-N 3.19Å
76	H	38.8	Very low	53.5	Low	168 Å²	168	117.1 Å²	117.1	78%	0.778	65%	0.646	S	S	*	*			trans	-146.8	89.9	-171.7	-114.4	41.6	0	0	0	114.9
77	V	39.7	Very low	50.7	Low	160 Å²	160	122.1 Å²	122.1	97%	0.97	68%	0.679	S	S	*	*			trans	-115.5	93.1	149.1	-179.8	0	0	0	0	106.4
78	G	33.4	Very low	47.5	Very low	53 Å²	53	123 Å²	123	55%	0.546	70%	0.703	S	S	.	*			trans	-160.7	107.8	-174.8	0	0	0	0	0	109.5
79	D	32.3	Very low	44.6	Very low	136 Å²	136	128.5 Å²	128.5	73%	0.727	73%	0.727	S	S	*	*			trans	-6	138.1	-179.6	-159.9	0.7	0	0	0	120.2	S81	D79-S81 VanDerWaalsContact CG-OG 3.24Å; D79-S81 PolarHBondContact OD1-N 2.89Å; D79-S81 PolarHBondContact OD1-OG 3.24Å; D79-S81 PolarHBondContact OD2-OG 2.93Å
80	R	34.3	Very low	41.6	Very low	254 Å²	254	128.1 Å²	128.1	96%	0.958	74%	0.737	S	S	*	*			trans	-111.6	77.7	166.5	-91.2	-170.1	168.2	-172	-2	110.7
81	S	32.2	Very low	38.9	Very low	85 Å²	85	134.5 Å²	134.5	59%	0.594	76%	0.76	S	S	*	*			trans	-121.9	112.7	172.7	53.7	0	0	0	0	112.4	D79	D79-S81 VanDerWaalsContact CG-OG 3.24Å; D79-S81 PolarHBondContact OD1-N 2.89Å; D79-S81 PolarHBondContact OD1-OG 3.24Å; D79-S81 PolarHBondContact OD2-OG 2.93Å
82	Q	33.6	Very low	36.4	Very low	184 Å²	184	136.3 Å²	136.3	86%	0.86	77%	0.768	S	S	*	*			trans	20.7	114	160.9	-59.7	-177.3	1.3	0	0	122.6
83	S	29.6	Very low	34	Very low	108 Å²	108	135.4 Å²	135.4	76%	0.755	78%	0.777	S	S	*	*				95	138.6	121.4	81.5	0	0	0	0	123.5
84	N	29.2	Very low	32.6	Very low	152 Å²	152	140.8 Å²	140.8	81%	0.813	79%	0.786	S	S	*	*			trans	76.8	150.8	147.4	-103.4	-26.3	0	0	0	123.8
85	K	30.4	Very low	31.8	Very low	178 Å²	178	142.6 Å²	142.6	77%	0.774	79%	0.785	S	S	*	*			trans	-59.5	141.7	-169.5	-51.9	163.3	-179.3	175.5	0	115.3
86	H	26.5	Very low	31.3	Very low	181 Å²	181	146.1 Å²	146.1	84%	0.838	80%	0.797	S	S	*	*				-165	173	102.1	-123.5	-97.1	0	0	0	113.8
87	V	33.9	Very low	31	Very low	144 Å²	144	148.7 Å²	148.7	87%	0.873	80%	0.8	S	S	*	*			trans	-87.4	139.3	178	177	0	0	0	0	111
88	G	25.1	Very low	31	Very low	77 Å²	77	147.1 Å²	147.1	79%	0.794	79%	0.793	S	S	*	*			trans	-169.4	143.4	170.5	0	0	0	0	0	112
89	D	29.2	Very low	31.2	Very low	154 Å²	154	149.2 Å²	149.2	82%	0.824	80%	0.798	S	S	*	*			trans	-114.1	134.5	-174.5	176.7	22.6	0	0	0	111.3
90	S	26.5	Very low	31.8	Very low	95 Å²	95	148.9 Å²	148.9	66%	0.664	80%	0.804	S	S	*	*			trans	173.4	130.4	150.2	-88.5	0	0	0	0	115.9
91	K	28.4	Very low	32.2	Very low	197 Å²	197	139 Å²	139	86%	0.857	77%	0.773	S	S	*	*			trans	64.6	135.5	137.2	-62.8	175.9	-178.6	174.3	0	121.4
92	K	29.8	Very low	32.7	Very low	208 Å²	208	142.7 Å²	142.7	90%	0.904	78%	0.781	S	S	*	*			trans	-82.4	159.4	166.8	-59.9	175.6	179.4	177	0	111.6
93	S	27.5	Very low	33	Very low	120 Å²	120	139.1 Å²	139.1	84%	0.839	78%	0.775	S	S	*	*			trans	-131.8	152.8	164.6	52.4	0	0	0	0	111.4
94	E	28.7	Very low	33.7	Very low	172 Å²	172	141.4 Å²	141.4	80%	0.804	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-86.9	160.4	-176.5	-71	-174.3	120.3	0	0	113.6
95	P	35.1	Very low	34.3	Very low	113 Å²	113	144.2 Å²	144.2	73%	0.734	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-68.6	161	168.8	30.3	-36.2	0	0	0	113
96	P	32.6	Very low	34.6	Very low	129 Å²	129	140.6 Å²	140.6	84%	0.838	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-73	152.9	-171.9	29.6	-36.4	0	0	0	114.4
97	R	33.5	Very low	34.9	Very low	223 Å²	223	136.8 Å²	136.8	84%	0.842	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-86.6	148.4	177.6	-62.6	-179.5	-179.3	-177	-0.5	112.2
98	P	38.8	Very low	34.7	Very low	126 Å²	126	134.2 Å²	134.2	82%	0.818	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-75	165.8	175.5	31.2	-35.6	0	0	0	113.9
99	C	37.8	Very low	34.9	Very low	97 Å²	97	139 Å²	139	66%	0.655	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-68.9	137.5	-175.2	-176	0	0	0	0	113.7	C101	C99-C101 PolarHBondContact O-N 3.37Å
100	P	45.8	Very low	35.1	Very low	129 Å²	129	137.3 Å²	137.3	84%	0.838	77%	0.769	S	S	*	*			trans	-92	45.7	-178	38.9	-38.1	0	0	0	114
101	C	42.8	Very low	35.2	Very low	46 Å²	46	137.5 Å²	137.5	31%	0.311	78%	0.776	S	S	.	*			trans	-91.5	143.2	177.1	55	0	0	0	0	112.9	C99 C103 H104	C99-C101 PolarHBondContact O-N 3.37Å; C101-C103 VanDerWaalsContact C-N 3.35Å; C101-C103 PolarHBondContact O-N 3.44Å; C101-H104 PolarHBondContact O-N 3.06Å
102	E	41.8	Very low	35.3	Very low	163 Å²	163	134.7 Å²	134.7	76%	0.762	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-70.8	-25.8	-168.4	-62.2	-170.8	123.1	0	0	114.4	H104 R105	E102-H104 PolarHBondContact O-N 3.1Å; E102-R105 WeakPolarHBondContact O-CB 3.48Å; E102-R105 PolarHBondContact O-N 2.62Å
103	C	40.4	Very low	35.3	Very low	110 Å²	110	131 Å²	131	74%	0.743	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-61.3	-13.5	178.8	51.6	0	0	0	0	114.8	C101	C101-C103 VanDerWaalsContact C-N 3.35Å; C101-C103 PolarHBondContact O-N 3.44Å
104	H	43.7	Very low	35.4	Very low	156 Å²	156	131.6 Å²	131.6	72%	0.722	76%	0.764	S	S	*	*	G	3₁₀ helix	trans	-105.8	4.5	175.2	-71.9	-83.7	0	0	0	114.1	C101 E102	C101-H104 PolarHBondContact O-N 3.06Å; E102-H104 PolarHBondContact O-N 3.1Å
105	R	41.2	Very low	35.5	Very low	211 Å²	211	130 Å²	130	80%	0.796	76%	0.76	S	S	*	*	S	Bend	trans	-96.3	-7.6	-167.3	-145.3	173.5	-172.1	178	1.5	115.6	E102	E102-R105 WeakPolarHBondContact O-CB 3.48Å; E102-R105 PolarHBondContact O-N 2.62Å
106	A	36.8	Very low	35	Very low	102 Å²	102	130.4 Å²	130.4	84%	0.843	76%	0.76	S	S	*	*	S	Bend	trans	-110.9	55.8	-170.2	0	0	0	0	0	114
107	A	34	Very low	34.8	Very low	101 Å²	101	133.3 Å²	133.3	84%	0.835	76%	0.763	S	S	*	*	S	Bend	trans	-152	35.7	178.8	0	0	0	0	0	114.9
108	A	28.7	Very low	34.5	Very low	89 Å²	89	128 Å²	128	74%	0.736	76%	0.759	S	S	*	*			trans	-152.1	143.9	176.7	0	0	0	0	0	114
109	Q	29.2	Very low	34.9	Very low	177 Å²	177	126.9 Å²	126.9	83%	0.827	75%	0.752	S	S	*	*			trans	71.1	120.8	170.3	-54.1	-64.3	-11.8	0	0	118.2
110	P	34.5	Very low	34.2	Very low	120 Å²	120	127.6 Å²	127.6	78%	0.779	76%	0.757	S	S	*	*			trans	-84.9	163	160.2	36.4	-32.9	0	0	0	111.8
111	A	27.6	Very low	33.3	Very low	98 Å²	98	130.7 Å²	130.7	81%	0.81	76%	0.758	S	S	*	*			trans	-97.9	160.6	-176.4	0	0	0	0	0	114.2
112	V	30.9	Very low	32.5	Very low	138 Å²	138	137 Å²	137	84%	0.836	78%	0.782	S	S	*	*			trans	-141	141.1	173.7	-180	0	0	0	0	109.3
113	V	29.3	Very low	31.7	Very low	132 Å²	132	136 Å²	136	80%	0.8	79%	0.788	S	S	*	*			trans	-146.1	110.5	167.9	-170.8	0	0	0	0	105.2
114	D	29.8	Very low	31	Very low	132 Å²	132	134.7 Å²	134.7	71%	0.706	79%	0.785	S	S	*	*				71.1	136.5	78.6	-143	23.7	0	0	0	111.6
115	L	31.1	Very low	30.3	Very low	138 Å²	138	136.2 Å²	136.2	72%	0.723	79%	0.792	S	S	*	*			cis	-135.1	176	30.1	-80.2	156.8	0	0	0	111
116	T	25.9	Very low	30.4	Very low	122 Å²	122	131 Å²	131	75%	0.748	79%	0.786	S	S	*	*			cis	-160.2	144.2	48.6	49.2	0	0	0	0	117.1
117	E	27.2	Very low	29.8	Very low	190 Å²	190	130.7 Å²	130.7	89%	0.888	78%	0.777	S	S	*	*			trans	71.1	163.9	145.3	-67.5	-168	158.5	0	0	122.9
118	S	28.4	Very low	29.5	Very low	110 Å²	110	134.4 Å²	134.4	77%	0.769	78%	0.777	S	S	*	*			trans	-151.6	-170.2	-161.2	68.8	0	0	0	0	108.9
119	P	45.8	Very low	29.3	Very low	103 Å²	103	136.6 Å²	136.6	67%	0.669	78%	0.781	S	S	*	*			cis	-145.8	-176.7	14.3	44.8	-25.1	0	0	0	118.5
120	C	24.3	Very low	29.2	Very low	113 Å²	113	133.4 Å²	133.4	76%	0.764	79%	0.786	S	S	*	*			trans	70.1	157.7	156.8	-72.6	0	0	0	0	118.4
121	K	26.6	Very low	28.7	Very low	194 Å²	194	132.4 Å²	132.4	84%	0.843	78%	0.781	S	S	*	*			cis	-156.8	163.9	3.6	-133.1	169.9	-174.6	178.1	0	111.7
122	E	25.7	Very low	28.6	Very low	178 Å²	178	135.5 Å²	135.5	83%	0.832	78%	0.779	S	S	*	*			trans	-93.4	153.3	167.2	-59.7	178.8	112.7	0	0	112.9
123	T	25	Very low	28.2	Very low	143 Å²	143	136.6 Å²	136.6	88%	0.877	78%	0.775	S	S	*	*				-171.8	135.2	126.2	9	0	0	0	0	115.9
124	A	26.1	Very low	28	Very low	82 Å²	82	137.7 Å²	137.7	68%	0.678	77%	0.773	S	S	*	*			trans	54.3	111.3	139	0	0	0	0	0	124.4
125	Q	28.2	Very low	28.4	Very low	187 Å²	187	135.9 Å²	135.9	87%	0.874	77%	0.768	S	S	*	*				60.6	163	117.6	-72.4	-166.8	-12.8	0	0	122.7
126	P	42.4	Very low	28.4	Very low	102 Å²	102	137.1 Å²	137.1	66%	0.662	78%	0.775	S	S	*	*			cis	-143.9	177.2	-40.6	42	-25.3	0	0	0	116.2
127	S	25	Very low	28.7	Very low	96 Å²	96	137 Å²	137	67%	0.671	78%	0.776	S	S	*	*			trans	88.3	148.7	136.1	80.6	0	0	0	0	125.1
128	H	27.3	Very low	28.5	Very low	178 Å²	178	131 Å²	131	82%	0.824	77%	0.765	S	S	*	*			trans	81.2	154.3	159.6	-67.2	-60.7	0	0	0	122.7
129	T	25.1	Very low	28.9	Very low	135 Å²	135	135 Å²	135	83%	0.828	77%	0.771	S	S	*	*			trans	-134.8	141.7	-153.3	48.7	0	0	0	0	111.8
130	A	26.2	Very low	27.7	Very low	111 Å²	111	135.1 Å²	135.1	92%	0.917	77%	0.774	S	S	*	*			trans	-156.5	174.2	161.1	0	0	0	0	0	111.3
131	S	24.6	Very low	27.7	Very low	98 Å²	98	138.3 Å²	138.3	69%	0.685	78%	0.778	S	S	*	*			trans	-119.3	177.2	-166.6	-171.1	0	0	0	0	113.6
132	E	24.9	Very low	27.6	Very low	163 Å²	163	134.3 Å²	134.3	76%	0.762	77%	0.77	S	S	*	*			trans	77.4	102.9	154.4	-85	139.3	-111.8	0	0	122.8
133	H	24	Very low	27.6	Very low	162 Å²	162	133.6 Å²	133.6	75%	0.75	76%	0.764	S	S	*	*				54.7	129.4	117.7	-93.4	-86.5	0	0	0	123.5
134	M	24.6	Very low	27.8	Very low	155 Å²	155	131.5 Å²	131.5	76%	0.764	76%	0.755	S	S	*	*			trans	88.3	153.9	145.2	-64.9	-66.5	88.3	0	0	120
135	P	38.3	Very low	28.6	Very low	93 Å²	93	135.4 Å²	135.4	60%	0.604	76%	0.76	S	S	*	*			trans	-136.4	178.6	-139.3	46	-30	0	0	0	117.2
136	L	30.6	Very low	29.5	Very low	165 Å²	165	130.6 Å²	130.6	86%	0.864	75%	0.747	S	S	*	*			trans	67.8	169.2	166.5	-62.3	167	0	0	0	114.7
137	P	32.3	Very low	29.3	Very low	120 Å²	120	134.7 Å²	134.7	78%	0.779	76%	0.762	S	S	*	*			cis	-131.2	-170	1.9	43.8	-27.9	0	0	0	115
138	G	23.9	Very low	29.3	Very low	62 Å²	62	133.9 Å²	133.9	64%	0.639	76%	0.761	S	S	*	*			trans	73.9	94.8	149.2	0	0	0	0	0	117.8
139	E	35.2	Very low	29.5	Very low	195 Å²	195	130 Å²	130	91%	0.911	75%	0.754	S	S	*	*				65.7	114.5	88.6	-72.7	-162.2	152.1	0	0	116.8
140	S	21.1	Very low	29.7	Very low	105 Å²	105	134 Å²	134	73%	0.734	75%	0.754	S	S	*	*			trans	-174.6	125	139.1	39.4	0	0	0	0	113.2
141	Q	24.6	Very low	29.8	Very low	181 Å²	181	136 Å²	136	85%	0.846	75%	0.749	S	S	*	*			trans	61.9	161.1	137.5	-57.9	-179.5	23.7	0	0	117.6
142	T	24	Very low	30	Very low	109 Å²	109	135.7 Å²	135.7	67%	0.669	75%	0.746	S	S	*	*			cis	-156.5	174.5	-6.1	1.1	0	0	0	0	109.7
143	K	26.4	Very low	30.1	Very low	164 Å²	164	134.8 Å²	134.8	71%	0.713	74%	0.742	S	S	*	*			trans	11.5	137.7	144.8	-66	172.9	-176.4	179.1	0	118
144	S	29.3	Very low	30.4	Very low	98 Å²	98	135.2 Å²	135.2	69%	0.685	74%	0.742	S	S	*	*				-151.6	150.1	55.1	95.1	0	0	0	0	114
145	Q	42.2	Very low	30.5	Very low	165 Å²	165	133.6 Å²	133.6	77%	0.771	74%	0.74	S	S	*	*	S	Bend	cis	44.5	81.5	-4.3	-73.9	-170.3	-14.6	0	0	117.7
146	S	48.5	Very low	29.9	Very low	86 Å²	86	137.4 Å²	137.4	60%	0.601	75%	0.75	S	S	*	*			cis	-164.7	102.5	-42.4	47.9	0	0	0	0	106.8	A148	S146-A148 PolarHBondContact O-N 3.12Å
147	L	36.5	Very low	29.6	Very low	187 Å²	187	133.5 Å²	133.5	98%	0.979	74%	0.742	S	S	*	*	S	Bend	trans	52.9	-6	-178.2	-101.8	170.3	0	0	0	118.9
148	A	25.3	Very low	29.3	Very low	79 Å²	79	132.7 Å²	132.7	65%	0.653	74%	0.739	S	S	*	*			trans	-130.4	124.2	179.3	0	0	0	0	0	111.6	S146	S146-A148 PolarHBondContact O-N 3.12Å
149	S	32.8	Very low	29.4	Very low	97 Å²	97	136.6 Å²	136.6	68%	0.678	75%	0.745	S	S	*	*			trans	-72.7	149.1	159.8	55.5	0	0	0	0	110.5
150	R	29.1	Very low	29.1	Very low	218 Å²	218	133.8 Å²	133.8	82%	0.823	74%	0.736	S	S	*	*			trans	168.1	148.6	133.4	-88.3	147.5	-161.8	-161	0.5	111.8
151	L	27.8	Very low	29.7	Very low	155 Å²	155	134.8 Å²	134.8	81%	0.812	74%	0.74	S	S	*	*			trans	34.9	136.3	135.6	-49.4	170.2	0	0	0	119.2
152	S	29	Very low	29.8	Very low	91 Å²	91	134.2 Å²	134.2	64%	0.636	74%	0.742	S	S	*	*			cis	-167.2	165.4	-3	-93	0	0	0	0	110.8
153	E	27	Very low	29.8	Very low	143 Å²	143	135 Å²	135	67%	0.668	75%	0.751	S	S	*	*			trans	30	150.4	143.8	-61.8	-178.1	-166.6	0	0	124.9
154	K	29.4	Very low	29.9	Very low	171 Å²	171	132.7 Å²	132.7	74%	0.743	75%	0.747	S	S	*	*			trans	74.1	133.7	151.5	-74.1	153.7	-177.7	155.9	0	116.6
155	V	27.8	Very low	29.7	Very low	122 Å²	122	134.8 Å²	134.8	74%	0.739	74%	0.743	S	S	*	*			cis	102	122.7	35.3	161.9	0	0	0	0	111.6
156	Q	24.7	Very low	28.9	Very low	172 Å²	172	133 Å²	133	80%	0.804	74%	0.739	S	S	*	*			trans	64.7	143.4	167.4	-124.7	71.2	-1.1	0	0	119.6
157	A	25.1	Very low	27.8	Very low	84 Å²	84	135.8 Å²	135.8	69%	0.694	74%	0.743	S	S	*	*			trans	70.2	150.5	144	0	0	0	0	0	119
158	S	24.9	Very low	27.4	Very low	103 Å²	103	130.2 Å²	130.2	72%	0.72	71%	0.714	S	S	*	*			cis	-171.8	157.6	-19.1	-99.3	0	0	0	0	109.3
159	L	26.7	Very low	27.5	Very low	144 Å²	144	136.1 Å²	136.1	75%	0.754	73%	0.725	S	S	*	*			trans	64.2	113	157.3	-62.8	158.8	0	0	0	118.4
160	D	28.7	Very low	27.3	Very low	135 Å²	135	138.5 Å²	138.5	72%	0.722	72%	0.719	S	S	*	*			trans	62.8	141.5	133.6	-41.2	-26.5	0	0	0	119.9
161	P	33.9	Very low	27.3	Very low	127 Å²	127	134.1 Å²	134.1	83%	0.825	72%	0.719	S	S	*	*				-135.2	149.1	81.3	37.8	-26.3	0	0	0	115.6
162	D	25.9	Very low	27.3	Very low	168 Å²	168	134.6 Å²	134.6	90%	0.898	72%	0.722	S	S	*	*			trans	-64.3	127.8	159.2	-90.1	-49.9	0	0	0	111
163	C	25.7	Very low	27.4	Very low	125 Å²	125	141.2 Å²	141.2	85%	0.845	73%	0.733	S	S	*	*			trans	-158.1	129	146	-164.6	0	0	0	0	112.6
164	D	26.7	Very low	27.3	Very low	117 Å²	117	144.9 Å²	144.9	63%	0.626	75%	0.747	S	S	*	*			trans	-46.2	144.7	171	-107	-21.5	0	0	0	117.4
165	K	25.3	Very low	27	Very low	141 Å²	141	148 Å²	148	61%	0.613	75%	0.754	S	S	*	*				80.7	123.6	128.8	-74	177.1	177.5	71.2	0	124
166	D	25	Very low	26.7	Very low	129 Å²	129	148.5 Å²	148.5	69%	0.69	75%	0.752	S	S	*	*				82.3	128.6	119.7	-60.8	-9	0	0	0	123.4
167	E	27	Very low	26.7	Very low	144 Å²	144	152.3 Å²	152.3	67%	0.673	76%	0.76	S	S	*	*			trans	63.1	151.2	139.4	-63.7	-86.1	100.2	0	0	118.8	R170	E167-R170 IonicContact OE1-NH2 3.76Å; E167-R170 PolarHBondContact OE1-NH2 3.48Å; E167-R170 IonicContact OE2-CZ 3.63Å; E167-R170 IonicContact OE2-NH1 2.68Å; E167-R170 PolarHBondContact OE2-NH1 3.3Å; E167-R170 IonicContact OE2-NH2 2.66Å; E167-R170 PolarHBondContact OE2-NH2 2.94Å
168	D	28.4	Very low	26.6	Very low	69 Å²	69	154.1 Å²	154.1	37%	0.369	76%	0.762	S	S	.	*			cis	-174.8	162.2	-17.7	172.5	46.8	0	0	0	106.5	R170	D168-R170 WeakPolarHBondContact OD1-CG 3.34Å; D168-R170 IonicContact OD1-CZ 3.99Å; D168-R170 IonicContact OD1-NE 2.74Å; D168-R170 PolarHBondContact OD1-NE 3.12Å; D168-R170 IonicContact OD1-NH2 3.39Å; D168-R170 WeakPolarHBondContact OD2-CD 3.48Å; D168-R170 WeakPolarHBondContact OD2-CG 3.42Å; D168-R170 IonicContact OD2-CZ 2.95Å; D168-R170 IonicContact OD2-NE 3.42Å; D168-R170 PolarHBondContact OD2-NE 3.01Å; D168-R170 IonicContact OD2-NH1 2.68Å; D168-R170 PolarHBondContact OD2-NH1 3.24Å; D168-R170 IonicContact OD2-NH2 3.48Å
169	F	26.3	Very low	26.6	Very low	204 Å²	204	154.5 Å²	154.5	90%	0.895	77%	0.765	S	S	*	*				-167.2	147	127.8	-123.5	-86.4	0	0	0	112.7
170	R	29.2	Very low	26.6	Very low	147 Å²	147	155 Å²	155	56%	0.555	76%	0.763	S	S	*	*			trans	-116.7	159.9	-158.3	-68.3	163.4	-178.4	133.2	0	113.6	E167 D168	E167-R170 IonicContact OE1-NH2 3.76Å; E167-R170 PolarHBondContact OE1-NH2 3.48Å; E167-R170 IonicContact OE2-CZ 3.63Å; E167-R170 IonicContact OE2-NH1 2.68Å; E167-R170 PolarHBondContact OE2-NH1 3.3Å; E167-R170 IonicContact OE2-NH2 2.66Å; E167-R170 PolarHBondContact OE2-NH2 2.94Å; D168-R170 WeakPolarHBondContact OD1-CG 3.34Å; D168-R170 IonicContact OD1-CZ 3.99Å; D168-R170 IonicContact OD1-NE 2.74Å; D168-R170 PolarHBondContact OD1-NE 3.12Å; D168-R170 IonicContact OD1-NH2 3.39Å; D168-R170 WeakPolarHBondContact OD2-CD 3.48Å; D168-R170 WeakPolarHBondContact OD2-CG 3.42Å; D168-R170 IonicContact OD2-CZ 2.95Å; D168-R170 IonicContact OD2-NE 3.42Å; D168-R170 PolarHBondContact OD2-NE 3.01Å; D168-R170 IonicContact OD2-NH1 2.68Å; D168-R170 PolarHBondContact OD2-NH1 3.24Å; D168-R170 IonicContact OD2-NH2 3.48Å
171	P	28	Very low	26.6	Very low	125 Å²	125	157.2 Å²	157.2	81%	0.812	76%	0.763	S	S	*	*			trans	-64.6	134.7	160.6	29.3	-34.6	0	0	0	110.5
172	D	28.3	Very low	26.2	Very low	166 Å²	166	158.9 Å²	158.9	89%	0.888	76%	0.757	S	S	*	*			trans	-82.2	147	-164	-156.4	-3.7	0	0	0	114.5
173	R	32.2	Very low	26.1	Very low	230 Å²	230	155.4 Å²	155.4	87%	0.868	75%	0.746	S	S	*	*			trans	-113.9	125.2	-168.8	-78.5	176.3	162.6	174.5	-3.7	112.8	R175	R173-R175 PolarHBondContact O-N 3.03Å
174	K	25.2	Very low	26.1	Very low	220 Å²	220	158.2 Å²	158.2	96%	0.957	75%	0.746	S	S	*	*			trans	-80.5	87.5	160.4	-83	-173.4	176.1	174.7	0	112.4
175	R	23	Very low	26	Very low	237 Å²	237	161.8 Å²	161.8	89%	0.894	76%	0.756	S	S	*	*			trans	-156.8	139.8	145.8	-142.7	169.1	-176.8	168.7	0	115.5	R173	R173-R175 PolarHBondContact O-N 3.03Å
176	N	21.3	Very low	25.9	Very low	131 Å²	131	165.9 Å²	165.9	70%	0.701	77%	0.768	S	S	*	*			trans	-54	154.4	179	-36	-18.8	0	0	0	114.8
177	R	24.1	Very low	25.9	Very low	253 Å²	253	166.1 Å²	166.1	96%	0.955	77%	0.765	S	S	*	*				-158	175.2	126.5	-109	159.9	-177.6	168.3	-0.7	111.3
178	T	23.2	Very low	26	Very low	122 Å²	122	169.5 Å²	169.5	75%	0.748	77%	0.771	S	S	*	*			trans	-123.9	154.5	-159.5	45.6	0	0	0	0	113.7
179	S	24.5	Very low	25.8	Very low	110 Å²	110	171.1 Å²	171.1	77%	0.769	78%	0.784	S	S	*	*			trans	55.5	132.6	151.2	56.3	0	0	0	0	120.1
180	E	26.8	Very low	25.9	Very low	156 Å²	156	168.3 Å²	168.3	73%	0.729	77%	0.773	S	S	*	*			cis	-150.1	-138.3	-19.4	-146.4	-154.5	111.7	0	0	108.1
181	Y	28.8	Very low	25.8	Very low	181 Å²	181	169.6 Å²	169.6	71%	0.71	79%	0.785	S	S	*	*			cis	-158.2	153.5	8.4	-136.4	-37.4	0	0	0	110.5
182	K	25.2	Very low	25.7	Very low	162 Å²	162	167 Å²	167	70%	0.704	78%	0.782	S	S	*	*			trans	70.6	103.7	156.7	-66.6	175.5	-177.4	172	0	120.3
183	S	24	Very low	25.6	Very low	95 Å²	95	165.3 Å²	165.3	66%	0.664	78%	0.777	S	S	*	*				60.3	126.2	125.8	-51.2	0	0	0	0	120.1
184	H	25.4	Very low	25.3	Very low	184 Å²	184	160.7 Å²	160.7	85%	0.852	77%	0.768	S	S	*	*				-164.1	134.1	72.3	-102.1	-88.1	0	0	0	116.2
185	K	24.1	Very low	25.3	Very low	191 Å²	191	158.2 Å²	158.2	83%	0.83	76%	0.758	S	S	*	*			trans	-28.6	144.8	166.3	-71.1	167.9	164.8	170.5	0	120.2
186	R	24.7	Very low	25.8	Very low	227 Å²	227	153 Å²	153	86%	0.857	75%	0.746	S	S	*	*			trans	131.7	160	131.6	-79.3	-166.4	159.1	144.2	-3.7	115
187	Q	25.1	Very low	26.2	Very low	134 Å²	134	153.5 Å²	153.5	63%	0.626	75%	0.749	S	S	*	*			cis	-178.5	115.3	-31.6	174.1	174.2	-11.6	0	0	112.5
188	R	27.6	Very low	26.4	Very low	216 Å²	216	148.6 Å²	148.6	82%	0.815	74%	0.742	S	S	*	*			trans	59.9	175.7	163.6	-75.1	-174.6	164.8	-177.9	-5.2	116
189	T	25.1	Very low	26.7	Very low	102 Å²	102	150.9 Å²	150.9	63%	0.626	74%	0.744	S	S	*	*			cis	-153.8	154.8	14.4	-21.3	0	0	0	0	113
190	Q	28.2	Very low	28.2	Very low	145 Å²	145	150.3 Å²	150.3	68%	0.678	74%	0.737	S	S	*	*			trans	14.6	159.7	136.7	-64.8	168.6	-47.6	0	0	121.1
191	Q	27.5	Very low	28.1	Very low	174 Å²	174	151.5 Å²	151.5	81%	0.813	74%	0.743	S	S	*	*			cis	-167.6	146.7	24.7	-146.2	158.4	-19.1	0	0	115
192	G	25.5	Very low	28.2	Very low	71 Å²	71	150.1 Å²	150.1	73%	0.732	75%	0.747	S	S	*	*			trans	86	162.4	137.4	0	0	0	0	0	121.9
193	V	25.4	Very low	28.3	Very low	131 Å²	131	149 Å²	149	79%	0.794	75%	0.749	S	S	*	*			cis	-171.4	159.1	-15.4	81.3	0	0	0	0	112.6
194	I	26.1	Very low	28.5	Very low	132 Å²	132	149.2 Å²	149.2	68%	0.677	75%	0.75	S	S	*	*			trans	72.4	141.3	158.4	-70.4	177.7	0	0	0	118.3
195	F	26.8	Very low	28.5	Very low	169 Å²	169	148.3 Å²	148.3	74%	0.741	75%	0.747	S	S	*	*			cis	-172	156.7	-22.8	-111	-30.2	0	0	0	112.8
196	I	32.5	Very low	28.5	Very low	127 Å²	127	145.1 Å²	145.1	65%	0.651	74%	0.743	S	S	*	*			trans	69	129.9	139	-66.3	168.6	0	0	0	121.2
197	D	29.9	Very low	28.5	Very low	142 Å²	142	140.3 Å²	140.3	76%	0.759	74%	0.744	S	S	*	*			cis	-140.4	-119.6	-24.6	-90.3	-29.4	0	0	0	109.6
198	D	28.7	Very low	28.6	Very low	150 Å²	150	137.1 Å²	137.1	80%	0.802	75%	0.747	S	S	*	*			cis	-160.3	171	1.9	-160.3	-6.6	0	0	0	110.2
199	E	29.5	Very low	29.1	Very low	170 Å²	170	133.1 Å²	133.1	79%	0.794	75%	0.749	S	S	*	*			trans	-130.3	-148.2	-150.6	-75	-83.9	140.1	0	0	115.5
200	P	55.9	Low	29	Very low	97 Å²	97	137 Å²	137	63%	0.63	76%	0.76	S	S	*	*				-131.1	-179.4	-79.3	39.3	-25	0	0	0	117.4
201	E	25	Very low	28.6	Very low	181 Å²	181	135 Å²	135	85%	0.846	76%	0.762	S	S	*	*			trans	177.4	131.9	138.1	-96.2	174.4	-179.3	0	0	108.8
202	L	30.7	Very low	28.3	Very low	153 Å²	153	137.2 Å²	137.2	80%	0.801	76%	0.763	S	S	*	*				80.4	147.1	52.6	-70.4	170.1	0	0	0	113.9
203	D	27.1	Very low	28	Very low	138 Å²	138	142.7 Å²	142.7	74%	0.738	77%	0.767	S	S	*	*			cis	-163.6	162.2	10.6	-164.5	66.7	0	0	0	109.4
204	S	26.7	Very low	27.9	Very low	99 Å²	99	142.9 Å²	142.9	69%	0.692	77%	0.768	S	S	*	*			cis	-149.8	-104.6	-24.7	48.7	0	0	0	0	113.2
205	E	25.4	Very low	27.8	Very low	166 Å²	166	140.9 Å²	140.9	78%	0.776	77%	0.771	S	S	*	*			trans	-147	156.2	-155.8	-74.8	-162.3	120	0	0	119.7
206	T	25.1	Very low	27.6	Very low	124 Å²	124	138 Å²	138	76%	0.761	77%	0.772	S	S	*	*			trans	72.1	153	143.7	52.8	0	0	0	0	125.9
207	S	25.4	Very low	27.2	Very low	126 Å²	126	137 Å²	137	88%	0.881	77%	0.772	S	S	*	*			trans	114.6	161.8	141.6	80.4	0	0	0	0	120.9
208	G	26.4	Very low	27.2	Very low	66 Å²	66	137.7 Å²	137.7	68%	0.68	77%	0.771	S	S	*	*			trans	-149.8	-178.7	169.2	0	0	0	0	0	108.7
209	P	38.7	Very low	27.2	Very low	132 Å²	132	138.4 Å²	138.4	86%	0.857	77%	0.769	S	S	*	*			cis	-143	-142.7	35.2	43.7	-22	0	0	0	114.9
210	Q	22.7	Very low	27.1	Very low	185 Å²	185	133.9 Å²	133.9	86%	0.864	77%	0.768	S	S	*	*			trans	-48.5	148.1	-174.4	-56.6	166	-25	0	0	118.1
211	S	20.4	Very low	25.8	Very low	102 Å²	102	134.5 Å²	134.5	71%	0.713	78%	0.782	S	S	*	*				-179	178.1	111.3	-156.2	0	0	0	0	115
212	W	19.7	Very low	25.8	Very low	221 Å²	221	129.4 Å²	129.4	84%	0.837	78%	0.777	S	S	*	*			trans	-65.7	154.8	-155.9	-53.7	-40.1	0	0	0	122.2
213	K	20.6	Very low	25.5	Very low	186 Å²	186	129.9 Å²	129.9	81%	0.809	78%	0.78	S	S	*	*			trans	30.7	135.4	130.8	-54.4	175.4	-178.8	177.1	0	118.3
214	T	22.5	Very low	25.5	Very low	134 Å²	134	128.2 Å²	128.2	82%	0.822	78%	0.779	S	S	*	*				-161.7	149.5	67	-64.3	0	0	0	0	113.7
215	A	23.4	Very low	25.3	Very low	90 Å²	90	128.7 Å²	128.7	74%	0.744	78%	0.783	S	S	*	*			trans	-51.3	176.5	176.7	0	0	0	0	0	117.8
216	S	22.9	Very low	25.6	Very low	109 Å²	109	126.3 Å²	126.3	76%	0.762	78%	0.784	S	S	*	*			trans	157.7	37.2	-164.6	-176.8	0	0	0	0	113.5
217	T	24.6	Very low	25.7	Very low	106 Å²	106	125.8 Å²	125.8	65%	0.65	79%	0.785	S	S	*	*				59.2	117	110.5	-55.7	0	0	0	0	113.3
218	H	29.1	Very low	25.9	Very low	157 Å²	157	125 Å²	125	73%	0.727	78%	0.78	S	S	*	*			cis	-155.3	-170.9	15.8	-116.1	-17	0	0	0	107.7
219	Q	29.7	Very low	26	Very low	165 Å²	165	127.3 Å²	127.3	77%	0.771	79%	0.786	S	S	*	*			cis	-161.2	167.4	0.3	-125.1	160.8	22.5	0	0	106.7
220	G	26.7	Very low	25.7	Very low	75 Å²	75	126.7 Å²	126.7	77%	0.773	78%	0.784	S	S	*	*			cis	163	68.3	-13	0	0	0	0	0	116.2
221	A	28.1	Very low	26.3	Very low	110 Å²	110	126.3 Å²	126.3	91%	0.909	78%	0.783	S	S	*	*			trans	-166.3	152.7	161.5	0	0	0	0	0	110.9
222	G	25.4	Very low	27.3	Very low	73 Å²	73	127.2 Å²	127.2	75%	0.753	79%	0.786	S	S	*	*			cis	172.2	44.2	-1	0	0	0	0	0	117.3
223	L	25.6	Very low	28	Very low	163 Å²	163	121.7 Å²	121.7	85%	0.853	78%	0.78	S	S	*	*			trans	48.2	122.7	160.1	-79.6	166.3	0	0	0	122.5
224	S	25.8	Very low	29.1	Very low	103 Å²	103	118.4 Å²	118.4	72%	0.72	78%	0.781	S	S	*	*			trans	52.7	117.4	140	63.8	0	0	0	0	122.2
225	S	24.3	Very low	30.2	Very low	110 Å²	110	123 Å²	123	77%	0.769	78%	0.783	S	S	*	*				172.9	157.1	106.8	48.6	0	0	0	0	113.9
226	S	29.8	Very low	30.7	Very low	115 Å²	115	121.1 Å²	121.1	80%	0.804	76%	0.764	S	S	*	*			trans	59.6	127	162.5	67	0	0	0	0	121.5
227	S	29	Very low	31.6	Very low	113 Å²	113	122.1 Å²	122.1	79%	0.79	77%	0.768	S	S	*	*			trans	-147	88.1	147.7	46.3	0	0	0	0	108.2
228	S	29	Very low	32.2	Very low	111 Å²	111	121.7 Å²	121.7	78%	0.776	77%	0.768	S	S	*	*				78.4	86.5	89.8	69.6	0	0	0	0	112.8
229	S	28.2	Very low	32.6	Very low	113 Å²	113	118 Å²	118	79%	0.79	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-62.7	136.5	167.8	49	0	0	0	0	111.6
230	S	32	Very low	32.8	Very low	119 Å²	119	115.5 Å²	115.5	83%	0.832	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-75.1	122.1	169.6	54.5	0	0	0	0	111.1
231	E	35.5	Very low	33.1	Very low	178 Å²	178	116.2 Å²	116.2	83%	0.832	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-67.7	150.3	178.6	-61.3	-174.8	131.9	0	0	113.3
232	P	41.9	Very low	33.2	Very low	121 Å²	121	120.8 Å²	120.8	79%	0.786	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-74.3	143.2	172	31	-34.3	0	0	0	112.3	S234	P232-S234 PolarHBondContact O-N 3Å; P232-S234 VanDerWaalsContact O-N 3.15Å
233	C	35	Very low	33.4	Very low	104 Å²	104	125 Å²	125	70%	0.703	77%	0.768	S	S	*	*			trans	-66.3	111.2	-175.7	-179.7	0	0	0	0	113.3	R235	C233-R235 PolarHBondContact O-N 2.93Å
234	S	43.6	Very low	33.4	Very low	118 Å²	118	124.4 Å²	124.4	83%	0.825	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	20.4	-174.9	55	0	0	0	0	115.8	P232	P232-S234 PolarHBondContact O-N 3Å; P232-S234 VanDerWaalsContact O-N 3.15Å
235	R	44	Very low	33.6	Very low	229 Å²	229	127.5 Å²	127.5	86%	0.864	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.9	14.5	-176.1	-69.4	-169	174.3	-172.9	-1.2	116.2	C233	C233-R235 PolarHBondContact O-N 2.93Å
236	C	34.1	Very low	33.9	Very low	51 Å²	51	132.7 Å²	132.7	35%	0.345	78%	0.782	S	S	.	*			trans	-106.9	129.4	169.8	-169.8	0	0	0	0	112	C238	C236-C238 HydrophobicContact CB-CB 4.4Å; C236-C238 WeakPolarHBondContact CB-SG 3.36Å; C236-C238 PolarHBondContact O-N 3.39Å; C236-C238 WeakPolarHBondContact SG-CB 3.33Å; C236-C238 PolarHBondContact SG-N 3.24Å; C236-C238 VanDerWaalsContact SG-N 3.36Å; C236-C238 CovalentContact SG-SG 2.05Å; C236-C238 PolarHBondContact SG-SG 2.82Å
237	P	43	Very low	33.8	Very low	131 Å²	131	132.7 Å²	132.7	85%	0.851	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	0.6	169.5	-21.5	33.9	0	0	0	114.9
238	C	37.3	Very low	34	Very low	97 Å²	97	136.4 Å²	136.4	66%	0.655	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-8.4	-175.4	56.9	0	0	0	0	114.8	C236 S240	C236-C238 HydrophobicContact CB-CB 4.4Å; C236-C238 WeakPolarHBondContact CB-SG 3.36Å; C236-C238 PolarHBondContact O-N 3.39Å; C236-C238 WeakPolarHBondContact SG-CB 3.33Å; C236-C238 PolarHBondContact SG-N 3.24Å; C236-C238 VanDerWaalsContact SG-N 3.36Å; C236-C238 CovalentContact SG-SG 2.05Å; C236-C238 PolarHBondContact SG-SG 2.82Å; C238-S240 PolarHBondContact O-N 3.25Å
239	A	36.3	Very low	34.2	Very low	80 Å²	80	138 Å²	138	66%	0.661	78%	0.784	S	S	*	*	S	Bend	trans	-99	41.5	-171	0	0	0	0	0	114
240	S	33.8	Very low	34.6	Very low	112 Å²	112	141.5 Å²	141.5	78%	0.783	79%	0.785	S	S	*	*			trans	-146.4	39.7	-171.9	-54	0	0	0	0	114.8	C238	C238-S240 PolarHBondContact O-N 3.25Å
241	A	34.1	Very low	34.7	Very low	89 Å²	89	143.9 Å²	143.9	74%	0.736	79%	0.789	S	S	*	*	S	Bend	trans	-151.6	57.1	179.3	0	0	0	0	0	115.1
242	K	30.1	Very low	34.9	Very low	206 Å²	206	145.1 Å²	145.1	90%	0.896	79%	0.791	S	S	*	*			trans	173.3	111.9	144.6	-97.8	154.7	-172.9	177.2	0	111.4
243	D	28.3	Very low	35	Very low	161 Å²	161	146.8 Å²	146.8	86%	0.861	79%	0.794	S	S	*	*			trans	-145.7	152.8	143.3	-132.3	-32.8	0	0	0	109.1
244	N	27.5	Very low	35.4	Very low	152 Å²	152	144.6 Å²	144.6	81%	0.813	79%	0.789	S	S	*	*			trans	-94.5	125	-167.4	-71.3	-78.4	0	0	0	112.9
245	L	29.7	Very low	35.5	Very low	168 Å²	168	146 Å²	146	88%	0.88	79%	0.787	S	S	*	*			trans	-111.4	137.8	151.5	-99.3	84.2	0	0	0	110.6
246	K	30.8	Very low	36.2	Very low	218 Å²	218	143.2 Å²	143.2	95%	0.948	78%	0.781	S	S	*	*			trans	-78	118.3	171.3	-64.8	174.2	-179.4	174.2	0	109.3
247	S	27.6	Very low	38.4	Very low	116 Å²	116	150.6 Å²	150.6	81%	0.811	81%	0.808	S	S	*	*			trans	-124.6	142.6	157.5	52.8	0	0	0	0	109.6
248	K	31.4	Very low	40.7	Very low	190 Å²	190	146.5 Å²	146.5	83%	0.826	78%	0.778	S	S	*	*			trans	-79.4	164.4	169.7	-79.7	-174.8	173.1	-176.9	0	110.3
249	D	35.1	Very low	43.4	Very low	144 Å²	144	142.7 Å²	142.7	77%	0.77	75%	0.752	S	S	*	*	S	Bend	trans	81	127.4	163.4	-69.5	-52.8	0	0	0	120
250	K	35.7	Very low	46.2	Very low	188 Å²	188	141.5 Å²	141.5	82%	0.817	73%	0.732	S	S	*	*			trans	74	54.1	154.8	-62.4	170.9	-175.8	172.3	0	119.4	K252	K250-K252 PolarHBondContact O-N 3.26Å
251	D	33.4	Very low	49.3	Very low	169 Å²	169	136.2 Å²	136.2	90%	0.904	70%	0.695	S	S	*	*			trans	-75.9	110.3	143	-90.8	-41.6	0	0	0	109.7
252	K	40.5	Very low	52.3	Low	204 Å²	204	132.2 Å²	132.2	89%	0.887	66%	0.661	S	S	*	*			trans	-130	30.3	178.2	-130.9	-170.9	-173.4	-171.3	0	114.4	K250	K250-K252 PolarHBondContact O-N 3.26Å
253	D	44.2	Very low	55.5	Low	155 Å²	155	122.4 Å²	122.4	83%	0.829	62%	0.618	S	S	*	*	S	Bend	trans	-144.9	93	156	-144.8	-12.3	0	0	0	111.6
254	G	42.6	Very low	58.7	Low	59 Å²	59	114.7 Å²	114.7	61%	0.608	58%	0.577	S	S	*	*			trans	-83.8	115.8	-173.6	0	0	0	0	0	112.5	K256	G254-K256 WeakPolarHBondContact O-CG 3.39Å; G254-K256 PolarHBondContact O-N 2.93Å
255	N	46.7	Very low	61.9	Low	148 Å²	148	107.6 Å²	107.6	79%	0.791	54%	0.539	S	S	*	.			trans	-58.5	111.5	170.3	-172	-0.6	0	0	0	109.6	K257	N255-K257 PolarHBondContact O-N 2.9Å
256	K	58.1	Low	64.6	Low	169 Å²	169	102.4 Å²	102.4	74%	0.735	51%	0.508	S	S	*	.			trans	-71.4	94.1	-160.8	-67.9	176.3	-177.8	166.5	0	111.8	G254 I258	G254-K256 WeakPolarHBondContact O-CG 3.39Å; G254-K256 PolarHBondContact O-N 2.93Å; K256-I258 PolarHBondContact O-N 2.93Å
257	K	80.7	Confident	67.2	Low	207 Å²	207	94.1 Å²	94.1	90%	0.9	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-50.8	133.8	166	-83.9	-174.2	174.9	179	0	109.7	N255	N255-K257 PolarHBondContact O-N 2.9Å
258	I	90.6	Very high	70	Confident	45 Å²	45	90.1 Å²	90.1	23%	0.231	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-81.9	130.5	-178.6	-63.9	168.3	0	0	0	108.1	Q63 Q66 M67 V70 K256	Q63-I258 HydrophobicContact CG-CG2 3.93Å; Q66-I258 HydrophobicContact CB-CD1 4.41Å; Q66-I258 HydrophobicContact CB-CG1 4.39Å; Q66-I258 HydrophobicContact CB-CG2 4.2Å; M67-I258 VanDerWaalsContact CA-CD1 3.45Å; M67-I258 HydrophobicContact CB-CD1 4.04Å; M67-I258 HydrophobicContact CG-CD1 3.5Å; M67-I258 VanDerWaalsContact CG-CD1 3.5Å; M67-I258 HydrophobicContact CG-CG2 4.46Å; V70-I258 HydrophobicContact CB-CD1 4.26Å; V70-I258 HydrophobicContact CG2-CD1 3.96Å; V70-I258 HydrophobicContact CG2-CG1 4.15Å; K256-I258 PolarHBondContact O-N 2.93Å
259	P	94.1	Very high	72.5	Confident	16 Å²	16	85 Å²	85	10%	0.104	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-56.9	137.7	-179.7	-27.3	34.8	0	0	0	113.2	W62 Q63 G402 I404	W62-P259 HydrophobicContact CH2-CG 4.38Å; W62-P259 HydrophobicContact CZ3-CG 4.47Å; Q63-P259 PolarHBondContact NE2-O 3.07Å; P259-G402 WeakPolarHBondContact CG-O 3.46Å; P259-I404 HydrophobicContact CB-CD1 3.85Å; P259-I404 HydrophobicContact CB-CG1 3.89Å; P259-I404 HydrophobicContact CG-CD1 4.45Å
260	K	95.9	Very high	75	Confident	56 Å²	56	79 Å²	79	24%	0.243	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-73.5	154.8	164.1	-66.5	177.1	168.8	-177	0	110	F262 M374 Q375 A377 I380 I404	K260-F262 HydrophobicContact CB-CE2 4.32Å; K260-M374 PolarHBondContact NZ-O 2.99Å; K260-Q375 WeakPolarHBondContact CE-O 3.45Å; K260-Q375 PolarHBondContact NZ-O 3.33Å; K260-A377 WeakPolarHBondContact CE-O 3.49Å; K260-I380 HydrophobicContact CB-CD1 3.91Å; K260-I380 HydrophobicContact CD-CD1 4.04Å; K260-I380 HydrophobicContact CG-CD1 4.3Å; K260-I404 PolarHBondContact O-N 3.35Å
261	I	97.9	Very high	77.6	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	111.1	175.1	-60.9	159.1	0	0	0	108.3	A59 L60 Q63 S378 I379 I380 I404 V406	A59-I261 HydrophobicContact CB-CD1 3.87Å; A59-I261 HydrophobicContact CB-CG1 4.49Å; A59-I261 HydrophobicContact CB-CG2 4.46Å; L60-I261 HydrophobicContact CD2-CD1 3.96Å; L60-I261 HydrophobicContact CG-CD1 4.45Å; Q63-I261 HydrophobicContact CB-CD1 4.09Å; Q63-I261 HydrophobicContact CG-CD1 4.44Å; I261-S378 PolarHBondContact N-O 3.17Å; I261-I379 HydrophobicContact CB-CB 4.36Å; I261-I379 HydrophobicContact CB-CG1 4.13Å; I261-I379 HydrophobicContact CG2-CD1 4.11Å; I261-I379 HydrophobicContact CG2-CG1 4.06Å; I261-I379 CarbonylContact O-C 3.41Å; I261-I379 WeakPolarHBondContact O-CA 3.47Å; I261-I380 PolarHBondContact O-N 3.36Å; I261-I404 HydrophobicContact CG1-CB 4.47Å; I261-V406 HydrophobicContact CG2-CG2 3.94Å
262	F	97.8	Very high	80.4	Confident	5 Å²	5	63.6 Å²	63.6	2%	0.022	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	109.9	168.2	-76.1	-90	0	0	0	108.9	K260 I380 L387 I398 D399 L400 Q403 I404 L405 V406	K260-F262 HydrophobicContact CB-CE2 4.32Å; F262-I380 HydrophobicContact CD1-CB 3.82Å; F262-I380 HydrophobicContact CD1-CG1 4.43Å; F262-I380 HydrophobicContact CD1-CG2 3.84Å; F262-I380 HydrophobicContact CE1-CB 3.97Å; F262-I380 HydrophobicContact CE1-CD1 4.49Å; F262-I380 HydrophobicContact CE1-CG1 4.15Å; F262-I380 HydrophobicContact CE1-CG2 3.84Å; F262-I380 HydrophobicContact CG-CB 4.45Å; F262-I380 HydrophobicContact CZ-CD1 4.42Å; F262-I380 HydrophobicContact CZ-CG1 4.48Å; F262-L387 HydrophobicContact CB-CD2 4.02Å; F262-L387 HydrophobicContact CD1-CD2 3.84Å; F262-L387 HydrophobicContact CG-CD2 4.16Å; F262-I398 HydrophobicContact CD1-CG2 4.49Å; F262-I398 HydrophobicContact CE1-CG2 3.84Å; F262-I398 HydrophobicContact CZ-CG2 4.09Å; F262-D399 WeakPolarHBondContact CE2-O 2.96Å; F262-L400 HydrophobicContact CD1-CD2 4.22Å; F262-L400 HydrophobicContact CD2-CD2 3.69Å; F262-L400 HydrophobicContact CE1-CD2 4.34Å; F262-L400 HydrophobicContact CE2-CD2 3.82Å; F262-L400 HydrophobicContact CG-CD2 3.89Å; F262-L400 HydrophobicContact CZ-CD2 4.14Å; F262-Q403 HydrophobicContact CD2-CB 4.1Å; F262-Q403 HydrophobicContact CE2-CB 4.19Å; F262-Q403 HydrophobicContact CE2-CG 4.1Å; F262-I404 PolarHBondContact N-O 3.43Å; F262-L405 HydrophobicContact CB-CD1 3.88Å; F262-V406 PolarHBondContact O-N 3.44Å
263	F	97.8	Very high	82.7	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	96.6	-179.6	-157.3	-59.6	0	0	0	109.6	L55 L56 T265 I274 I379 I380 F381 C382 V406 D408	L55-F263 HydrophobicContact CB-CE2 3.99Å; L55-F263 HydrophobicContact CB-CZ 4.15Å; L55-F263 HydrophobicContact CD1-CZ 4.45Å; L56-F263 HydrophobicContact CD2-CD2 4.05Å; L56-F263 HydrophobicContact CD2-CE2 3.9Å; L56-F263 HydrophobicContact CG-CE2 4.21Å; F263-T265 HydrophobicContact CD1-CG2 4.07Å; F263-T265 HydrophobicContact CE1-CG2 4.06Å; F263-I274 HydrophobicContact CD1-CD1 4.38Å; F263-I274 HydrophobicContact CE1-CD1 3.54Å; F263-I274 HydrophobicContact CE1-CG2 4.41Å; F263-I274 HydrophobicContact CZ-CD1 3.99Å; F263-I274 HydrophobicContact CZ-CG2 4.42Å; F263-I379 HydrophobicContact CB-CD1 4.41Å; F263-I379 HydrophobicContact CB-CG1 4.41Å; F263-I379 HydrophobicContact CD2-CD1 4.25Å; F263-I380 PolarHBondContact N-O 3.42Å; F263-F381 HydrophobicContact CB-CD1 3.64Å; F263-F381 HydrophobicContact CB-CE1 3.8Å; F263-F381 HydrophobicContact CD1-CD1 4.18Å; F263-F381 HydrophobicContact CD1-CE1 4.28Å; F263-F381 HydrophobicContact CD2-CE1 4.13Å; F263-F381 AromaticContact CG-CD1 3.93Å; F263-F381 HydrophobicContact CG-CD1 3.93Å; F263-F381 AromaticContact CG-CE1 3.81Å; F263-F381 HydrophobicContact CG-CE1 3.81Å; F263-F381 WeakPolarHBondContact O-CA 3.43Å; F263-C382 PolarHBondContact O-N 3.16Å; F263-C382 VanDerWaalsContact O-N 3.08Å; F263-V406 CarbonylContact C-O 3.57Å; F263-V406 WeakPolarHBondContact CA-O 3.39Å; F263-V406 HydrophobicContact CD2-CB 4.04Å; F263-V406 HydrophobicContact CD2-CG1 3.85Å; F263-V406 HydrophobicContact CE1-CG1 4.45Å; F263-V406 HydrophobicContact CE2-CB 4.37Å; F263-V406 HydrophobicContact CE2-CG1 3.67Å; F263-V406 HydrophobicContact CG-CB 4.32Å; F263-V406 HydrophobicContact CG-CG1 4.35Å; F263-V406 HydrophobicContact CZ-CG1 3.98Å; F263-D408 HydrophobicContact CE1-CB 3.89Å; F263-D408 HydrophobicContact CZ-CB 4.25Å
264	G	95.8	Very high	85	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	137.3	175.4	0	0	0	0	0	112.8	C382 V406 D408	G264-C382 CarbonylContact C-O 3.59Å; G264-C382 VanDerWaalsContact CA-O 3.32Å; G264-C382 WeakPolarHBondContact CA-O 3.42Å; G264-V406 PolarHBondContact N-O 2.74Å; G264-D408 PolarHBondContact O-N 2.81Å
265	T	92.7	Very high	87.4	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	172.7	170.6	66.1	0	0	0	0	110.6	F263 T267 I271 I274 C382 P383 Y384	F263-T265 HydrophobicContact CD1-CG2 4.07Å; F263-T265 HydrophobicContact CE1-CG2 4.06Å; T265-T267 PolarHBondContact OG1-O 3.06Å; T265-I271 HydrophobicContact CG2-CG1 4.29Å; T265-I271 WeakPolarHBondContact OG1-CG1 3.25Å; T265-I274 HydrophobicContact CG2-CD1 3.76Å; T265-C382 PolarHBondContact N-O 2.96Å; T265-P383 CarbonylContact O-C 3.58Å; T265-P383 VanDerWaalsContact O-CA 3.27Å; T265-P383 WeakPolarHBondContact O-CA 3.46Å; T265-Y384 WeakPolarHBondContact O-CD1 2.96Å; T265-Y384 PolarHBondContact O-N 3.03Å
266	R	87.6	Confident	89.6	Confident	59 Å²	59	45.7 Å²	45.7	22%	0.223	21%	0.211	C	C	.	.	S	Bend	trans	-75.7	-33.2	176.1	-172.8	176.1	178.5	179.8	-3.3	113.6	Y384 N412 E786	R266-Y384 VanDerWaalsContact CA-CE1 3.47Å; R266-Y384 HydrophobicContact CB-CE1 3.77Å; R266-Y384 HydrophobicContact CG-CE1 4.24Å; R266-N412 WeakPolarHBondContact CD-OD1 3.43Å; R266-N412 VanDerWaalsContact CZ-ND2 3.35Å; R266-N412 PolarHBondContact NE-ND2 2.77Å; R266-N412 VanDerWaalsContact NE-ND2 3.1Å; R266-E786 VanDerWaalsContact CZ-CD 3.4Å; R266-E786 IonicContact CZ-OE1 2.74Å; R266-E786 IonicContact CZ-OE2 2.81Å; R266-E786 VanDerWaalsContact CZ-OE2 3.28Å; R266-E786 IonicContact NH1-OE1 3.54Å; R266-E786 PolarHBondContact NH1-OE1 2.94Å; R266-E786 IonicContact NH1-OE2 3.62Å; R266-E786 IonicContact NH2-OE1 2.79Å; R266-E786 PolarHBondContact NH2-OE1 3.25Å; R266-E786 IonicContact NH2-OE2 2.69Å; R266-E786 PolarHBondContact NH2-OE2 3.09Å
267	T	85.6	Confident	91.1	Very high	44 Å²	44	40.1 Å²	40.1	27%	0.27	19%	0.188	S	C	.	.			trans	-145.2	152.2	-169.2	67.2	0	0	0	0	113.9	T265 K269 Q270 I271	T265-T267 PolarHBondContact OG1-O 3.06Å; T267-K269 VanDerWaalsContact C-N 3.31Å; T267-K269 PolarHBondContact O-N 3.41Å; T267-Q270 WeakPolarHBondContact O-CB 3.41Å; T267-Q270 PolarHBondContact O-N 3.19Å; T267-Q270 VanDerWaalsContact O-N 3.08Å; T267-Q270 VanDerWaalsContact OG1-CD 3.24Å; T267-Q270 WeakPolarHBondContact OG1-CG 3.29Å; T267-Q270 PolarHBondContact OG1-N 3.49Å; T267-Q270 PolarHBondContact OG1-OE1 3Å; T267-I271 PolarHBondContact O-N 3.47Å
268	H	85.9	Confident	91.8	Very high	33 Å²	33	30.3 Å²	30.3	15%	0.153	15%	0.145	C	C	.	.	H	α-helix	trans	-60.2	-34.5	173.9	-72.6	-52.2	0	0	0	113.7	Q270 I271 T272 L291 S292 H296 I352 P383	H268-Q270 PolarHBondContact O-N 2.66Å; H268-I271 WeakPolarHBondContact O-CB 3.29Å; H268-I271 PolarHBondContact O-N 2.78Å; H268-T272 PolarHBondContact O-N 3.01Å; H268-T272 PolarHBondContact O-OG1 3.39Å; H268-L291 PolarHBondContact CE1-O 2.93Å; H268-S292 WeakPolarHBondContact CE1-CB 3.3Å; H268-S292 PolarHBondContact CE1-OG 3.43Å; H268-S292 PolarHBondContact NE2-OG 3.28Å; H268-H296 AromaticContact CD2-CD2 3.4Å; H268-H296 PolarHBondContact CD2-CD2 3.27Å; H268-H296 VanDerWaalsContact CD2-CD2 3.4Å; H268-H296 AromaticContact CD2-NE2 3.56Å; H268-H296 AromaticContact NE2-CD2 3.86Å; H268-I352 HydrophobicContact CB-CD1 4.1Å; H268-P383 WeakPolarHBondContact CE1-CG 2.96Å
269	K	83.1	Confident	92	Very high	83 Å²	83	31.6 Å²	31.6	36%	0.361	15%	0.149	S	C	.	.	H	α-helix	trans	-58.8	-35.4	174.2	-75.3	-166.8	176.9	-173.6	0	111.9	T267 Q273 D755	T267-K269 VanDerWaalsContact C-N 3.31Å; T267-K269 PolarHBondContact O-N 3.41Å; K269-Q273 WeakPolarHBondContact O-CG 3.36Å; K269-Q273 PolarHBondContact O-N 3.47Å; K269-D755 IonicContact NZ-OD1 3.53Å; K269-D755 PolarHBondContact NZ-OD1 2.99Å; K269-D755 IonicContact NZ-OD2 2.99Å
270	Q	87.8	Confident	91.8	Very high	17 Å²	17	38.2 Å²	38.2	8%	0.079	17%	0.172	C	C	.	.	H	α-helix	trans	-73.1	-33.1	174.1	-69.9	158.2	-36.1	0	0	112.7	T267 H268 Q273 I274	T267-Q270 WeakPolarHBondContact O-CB 3.41Å; T267-Q270 PolarHBondContact O-N 3.19Å; T267-Q270 VanDerWaalsContact O-N 3.08Å; T267-Q270 VanDerWaalsContact OG1-CD 3.24Å; T267-Q270 WeakPolarHBondContact OG1-CG 3.29Å; T267-Q270 PolarHBondContact OG1-N 3.49Å; T267-Q270 PolarHBondContact OG1-OE1 3Å; H268-Q270 PolarHBondContact O-N 2.66Å; Q270-Q273 WeakPolarHBondContact O-CB 3.21Å; Q270-Q273 PolarHBondContact O-N 3.33Å; Q270-I274 WeakPolarHBondContact O-CG1 3.27Å; Q270-I274 PolarHBondContact O-N 3.31Å
271	I	91.8	Very high	91.7	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.1	-44.8	172.9	-57.3	179.8	0	0	0	110.3	T265 T267 H268 Q273 I274 A275 I290 F381 P383	T265-I271 HydrophobicContact CG2-CG1 4.29Å; T265-I271 WeakPolarHBondContact OG1-CG1 3.25Å; T267-I271 PolarHBondContact O-N 3.47Å; H268-I271 WeakPolarHBondContact O-CB 3.29Å; H268-I271 PolarHBondContact O-N 2.78Å; I271-Q273 VanDerWaalsContact C-N 3.3Å; I271-Q273 PolarHBondContact O-N 3.29Å; I271-I274 PolarHBondContact O-N 3.17Å; I271-I274 VanDerWaalsContact O-N 3.12Å; I271-A275 WeakPolarHBondContact O-CB 3.31Å; I271-A275 PolarHBondContact O-N 2.89Å; I271-I290 HydrophobicContact CD1-CG2 4.36Å; I271-I290 HydrophobicContact CG2-CD1 4.05Å; I271-I290 HydrophobicContact CG2-CG1 4.24Å; I271-I290 HydrophobicContact CG2-CG2 3.77Å; I271-F381 HydrophobicContact CG2-CB 3.67Å; I271-F381 HydrophobicContact CG2-CG 4.22Å; I271-P383 HydrophobicContact CD1-CG 4.38Å
272	T	90.9	Very high	91.4	Very high	33 Å²	33	39.9 Å²	39.9	20%	0.202	19%	0.186	C	C	.	.	H	α-helix	trans	-56.5	-43.5	174.7	-53.3	0	0	0	0	111.5	H268 H276 D351	H268-T272 PolarHBondContact O-N 3.01Å; H268-T272 PolarHBondContact O-OG1 3.39Å; T272-H276 PolarHBondContact O-N 3.04Å; T272-H276 VanDerWaalsContact O-N 3.15Å; T272-H276 PolarHBondContact O-ND1 3Å; T272-D351 HydrophobicContact CG2-CB 4.04Å
273	Q	89.1	Confident	91.3	Very high	87 Å²	87	39.7 Å²	39.7	41%	0.407	19%	0.186	S	C	.	.	H	α-helix	trans	-61.1	-44.1	174.3	-70.7	169.5	-23.3	0	0	112.6	K269 Q270 I271 H276 E277	K269-Q273 WeakPolarHBondContact O-CG 3.36Å; K269-Q273 PolarHBondContact O-N 3.47Å; Q270-Q273 WeakPolarHBondContact O-CB 3.21Å; Q270-Q273 PolarHBondContact O-N 3.33Å; I271-Q273 VanDerWaalsContact C-N 3.3Å; I271-Q273 PolarHBondContact O-N 3.29Å; Q273-H276 PolarHBondContact O-N 3.25Å; Q273-E277 PolarHBondContact O-N 3.32Å
274	I	92.2	Very high	91.1	Very high	8 Å²	8	40.8 Å²	40.8	4%	0.041	19%	0.193	C	C	.	.	H	α-helix	trans	-73	-32.9	-177.6	-68.4	-179.1	0	0	0	112.1	L56 F263 T265 Q270 I271 E277 L278 F381	L56-I274 HydrophobicContact CD1-CG2 3.94Å; L56-I274 HydrophobicContact CD2-CG2 4.07Å; L56-I274 HydrophobicContact CG-CG2 4.23Å; F263-I274 HydrophobicContact CD1-CD1 4.38Å; F263-I274 HydrophobicContact CE1-CD1 3.54Å; F263-I274 HydrophobicContact CE1-CG2 4.41Å; F263-I274 HydrophobicContact CZ-CD1 3.99Å; F263-I274 HydrophobicContact CZ-CG2 4.42Å; T265-I274 HydrophobicContact CG2-CD1 3.76Å; Q270-I274 WeakPolarHBondContact O-CG1 3.27Å; Q270-I274 PolarHBondContact O-N 3.31Å; I271-I274 PolarHBondContact O-N 3.17Å; I271-I274 VanDerWaalsContact O-N 3.12Å; I274-E277 PolarHBondContact O-N 3.38Å; I274-L278 WeakPolarHBondContact O-CB 3.31Å; I274-L278 PolarHBondContact O-N 2.87Å; I274-F381 HydrophobicContact CG2-CD1 4.17Å; I274-F381 HydrophobicContact CG2-CE1 3.53Å; I274-F381 HydrophobicContact CG2-CZ 4.25Å
275	A	93.6	Very high	90.9	Very high	2 Å²	2	42.8 Å²	42.8	2%	0.017	21%	0.214	C	C	.	.	H	α-helix	trans	-62.9	-43.7	170.8	0	0	0	0	0	111.6	I271 L278 K279 W350 D351	I271-A275 WeakPolarHBondContact O-CB 3.31Å; I271-A275 PolarHBondContact O-N 2.89Å; A275-L278 PolarHBondContact O-N 3.43Å; A275-K279 PolarHBondContact O-N 3.14Å; A275-W350 WeakPolarHBondContact CB-O 3.49Å; A275-D351 HydrophobicContact CB-CB 4.42Å
276	H	92	Very high	90.9	Very high	94 Å²	94	43.7 Å²	43.7	44%	0.435	22%	0.219	S	C	.	.	H	α-helix	trans	-63.1	-40.1	173.6	-78	86.9	0	0	0	112.4	T272 Q273 K279 R280 D351	T272-H276 PolarHBondContact O-N 3.04Å; T272-H276 VanDerWaalsContact O-N 3.15Å; T272-H276 PolarHBondContact O-ND1 3Å; Q273-H276 PolarHBondContact O-N 3.25Å; H276-K279 WeakPolarHBondContact O-CB 3.46Å; H276-K279 PolarHBondContact O-N 3.43Å; H276-R280 WeakPolarHBondContact O-CG 3.01Å; H276-R280 PolarHBondContact O-N 3.06Å; H276-D351 IonicContact CE1-OD2 3.43Å; H276-D351 PolarHBondContact CE1-OD2 3.27Å
277	E	91.3	Very high	91.2	Very high	52 Å²	52	44.5 Å²	44.5	24%	0.243	23%	0.225	C	C	.	.	H	α-helix	trans	-64.8	-42.1	173.2	-76.4	-60.3	103.1	0	0	112.5	L56 Q273 I274 K279 R280	L56-E277 HydrophobicContact CD1-CB 4.34Å; Q273-E277 PolarHBondContact O-N 3.32Å; I274-E277 PolarHBondContact O-N 3.38Å; E277-K279 VanDerWaalsContact C-N 3.3Å; E277-K279 PolarHBondContact O-N 3.14Å; E277-R280 WeakPolarHBondContact O-CB 3.39Å; E277-R280 PolarHBondContact O-N 3.2Å; E277-R280 VanDerWaalsContact O-N 3.13Å; E277-R280 VanDerWaalsContact OE1-CD 3.3Å; E277-R280 WeakPolarHBondContact OE1-CD 3.47Å; E277-R280 IonicContact OE1-CZ 3.32Å; E277-R280 IonicContact OE1-NE 2.76Å; E277-R280 IonicContact OE1-NH1 3.86Å; E277-R280 PolarHBondContact OE1-NH1 3.03Å; E277-R280 IonicContact OE2-NH1 2.68Å
278	L	94.8	Very high	91.7	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-59	-42	175.6	178.3	60.6	0	0	0	111.6	L56 L60 I274 A275 R280 T281 M288 A349 F381	L56-L278 HydrophobicContact CD1-CB 3.94Å; L60-L278 HydrophobicContact CD1-CD1 3.5Å; I274-L278 WeakPolarHBondContact O-CB 3.31Å; I274-L278 PolarHBondContact O-N 2.87Å; A275-L278 PolarHBondContact O-N 3.43Å; L278-R280 PolarHBondContact O-N 2.91Å; L278-T281 WeakPolarHBondContact O-CB 3.46Å; L278-T281 PolarHBondContact O-N 3.41Å; L278-T281 PolarHBondContact O-OG1 2.9Å; L278-M288 HydrophobicContact CD2-SD 3.83Å; L278-A349 HydrophobicContact CB-CB 4.11Å; L278-A349 HydrophobicContact CD2-CB 3.82Å; L278-A349 HydrophobicContact CG-CB 3.8Å; L278-F381 HydrophobicContact CD2-CE2 4.02Å; L278-F381 HydrophobicContact CD2-CZ 3.97Å
279	K	93.5	Very high	92.1	Very high	71 Å²	71	40.9 Å²	40.9	31%	0.309	21%	0.206	S	C	.	.	H	α-helix	trans	-57.5	-29.2	177.1	-157.6	177.1	-164.6	126.2	0	113.1	A275 H276 E277 T281 E348 A349	A275-K279 PolarHBondContact O-N 3.14Å; H276-K279 WeakPolarHBondContact O-CB 3.46Å; H276-K279 PolarHBondContact O-N 3.43Å; E277-K279 VanDerWaalsContact C-N 3.3Å; E277-K279 PolarHBondContact O-N 3.14Å; K279-T281 VanDerWaalsContact C-N 3.29Å; K279-T281 PolarHBondContact O-N 3.43Å; K279-E348 WeakPolarHBondContact CE-OE2 3.39Å; K279-E348 HydrophobicContact CG-CB 4.09Å; K279-A349 HydrophobicContact CB-CB 4.16Å; K279-A349 WeakPolarHBondContact CD-O 3.23Å; K279-A349 WeakPolarHBondContact CE-O 3.46Å; K279-A349 PolarHBondContact NZ-O 2.8Å
280	R	91.1	Very high	92.8	Very high	155 Å²	155	37.1 Å²	37.1	59%	0.585	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81	-0.8	177.7	-60.9	168	71.8	-178.4	7.3	114.1	P17 H276 E277 L278	P17-R280 WeakPolarHBondContact CB-O 3.25Å; H276-R280 WeakPolarHBondContact O-CG 3.01Å; H276-R280 PolarHBondContact O-N 3.06Å; E277-R280 WeakPolarHBondContact O-CB 3.39Å; E277-R280 PolarHBondContact O-N 3.2Å; E277-R280 VanDerWaalsContact O-N 3.13Å; E277-R280 VanDerWaalsContact OE1-CD 3.3Å; E277-R280 WeakPolarHBondContact OE1-CD 3.47Å; E277-R280 IonicContact OE1-CZ 3.32Å; E277-R280 IonicContact OE1-NE 2.76Å; E277-R280 IonicContact OE1-NH1 3.86Å; E277-R280 PolarHBondContact OE1-NH1 3.03Å; E277-R280 IonicContact OE2-NH1 2.68Å; L278-R280 PolarHBondContact O-N 2.91Å
281	T	92.9	Very high	93.2	Very high	10 Å²	10	36.5 Å²	36.5	6%	0.061	19%	0.187	C	C	.	.	S	Bend	trans	-106.8	165.4	-178.3	73.6	0	0	0	0	112.6	P17 L53 L278 K279 Y283 S284	P17-T281 HydrophobicContact CG-CG2 4.31Å; L53-T281 HydrophobicContact CD1-CG2 3.6Å; L278-T281 WeakPolarHBondContact O-CB 3.46Å; L278-T281 PolarHBondContact O-N 3.41Å; L278-T281 PolarHBondContact O-OG1 2.9Å; K279-T281 VanDerWaalsContact C-N 3.29Å; K279-T281 PolarHBondContact O-N 3.43Å; T281-Y283 HydrophobicContact CG2-CD2 4.44Å; T281-Y283 PolarHBondContact O-N 3.41Å; T281-Y283 VanDerWaalsContact O-N 3.15Å; T281-Y283 WeakPolarHBondContact OG1-CB 3.42Å; T281-Y283 WeakPolarHBondContact OG1-CD2 3.49Å; T281-Y283 PolarHBondContact OG1-N 2.96Å; T281-Y283 VanDerWaalsContact OG1-N 3.1Å; T281-S284 WeakPolarHBondContact O-CB 3.28Å; T281-S284 PolarHBondContact O-N 3.01Å; T281-S284 VanDerWaalsContact O-N 3.15Å; T281-S284 PolarHBondContact O-OG 2.79Å
282	V	92.9	Very high	93.3	Very high	81 Å²	81	36.8 Å²	36.8	49%	0.491	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-9.9	169.3	-56.1	0	0	0	0	113.5	P4 H15 S284	P4-V282 HydrophobicContact CB-CG1 4.16Å; P4-V282 HydrophobicContact CG-CG1 4.23Å; H15-V282 HydrophobicContact CB-CG2 3.45Å; H15-V282 VanDerWaalsContact CB-CG2 3.45Å; V282-S284 VanDerWaalsContact C-N 3.31Å
283	Y	94.4	Very high	93.4	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.008	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	6.1	175.5	-43.1	-77.9	0	0	0	112.5	H15 C57 L60 T281 G285 V286	H15-Y283 PolarHBondContact N-OH 2.99Å; H15-Y283 VanDerWaalsContact O-CE2 3.3Å; H15-Y283 WeakPolarHBondContact O-CE2 3.46Å; H15-Y283 PolarHBondContact O-OH 3.06Å; C57-Y283 HydrophobicContact CB-CE2 3.89Å; L60-Y283 HydrophobicContact CB-CD1 3.86Å; L60-Y283 HydrophobicContact CB-CD2 4.42Å; L60-Y283 HydrophobicContact CB-CE1 4.27Å; L60-Y283 HydrophobicContact CB-CG 3.96Å; L60-Y283 HydrophobicContact CD1-CD2 4.41Å; L60-Y283 HydrophobicContact CD1-CG 4.09Å; T281-Y283 HydrophobicContact CG2-CD2 4.44Å; T281-Y283 PolarHBondContact O-N 3.41Å; T281-Y283 VanDerWaalsContact O-N 3.15Å; T281-Y283 WeakPolarHBondContact OG1-CB 3.42Å; T281-Y283 WeakPolarHBondContact OG1-CD2 3.49Å; T281-Y283 PolarHBondContact OG1-N 2.96Å; T281-Y283 VanDerWaalsContact OG1-N 3.1Å; Y283-G285 PolarHBondContact O-N 3.49Å; Y283-G285 VanDerWaalsContact O-N 3.11Å; Y283-V286 WeakPolarHBondContact O-CB 3.46Å; Y283-V286 VanDerWaalsContact O-CG2 3.29Å; Y283-V286 WeakPolarHBondContact O-CG2 3.44Å; Y283-V286 PolarHBondContact O-N 3.43Å
284	S	93.6	Very high	93.6	Very high	23 Å²	23	33.7 Å²	33.7	16%	0.161	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-28.2	-176.4	62.9	0	0	0	0	114.2	T281 V282 E348 A349	T281-S284 WeakPolarHBondContact O-CB 3.28Å; T281-S284 PolarHBondContact O-N 3.01Å; T281-S284 VanDerWaalsContact O-N 3.15Å; T281-S284 PolarHBondContact O-OG 2.79Å; V282-S284 VanDerWaalsContact C-N 3.31Å; S284-E348 CarbonylContact O-C 3.26Å; S284-E348 WeakPolarHBondContact O-CA 3.21Å; S284-A349 PolarHBondContact O-N 3.33Å
285	G	91.2	Very high	93.5	Very high	41 Å²	41	36.8 Å²	36.8	42%	0.423	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	4	177.7	0	0	0	0	0	116.1	Y283 Q341	Y283-G285 PolarHBondContact O-N 3.49Å; Y283-G285 VanDerWaalsContact O-N 3.11Å; G285-Q341 PolarHBondContact O-NE2 3.04Å; G285-Q341 VanDerWaalsContact O-NE2 3.1Å
286	V	93.3	Very high	93.3	Very high	21 Å²	21	40.2 Å²	40.2	13%	0.127	21%	0.205	C	C	.	.	S	Bend	trans	-65.4	144.2	-179.7	170.8	0	0	0	0	111.3	L60 Y283 M288 I379	L60-V286 HydrophobicContact CD2-CG1 4.08Å; Y283-V286 WeakPolarHBondContact O-CB 3.46Å; Y283-V286 VanDerWaalsContact O-CG2 3.29Å; Y283-V286 WeakPolarHBondContact O-CG2 3.44Å; Y283-V286 PolarHBondContact O-N 3.43Å; V286-M288 PolarHBondContact O-N 2.66Å; V286-I379 HydrophobicContact CG1-CG2 4.29Å
287	H	94.3	Very high	93.5	Very high	77 Å²	77	35.9 Å²	35.9	36%	0.356	19%	0.186	S	C	.	.			trans	-59.8	120.8	176.7	-67	-156.3	0	0	0	110.7	Q337 D376 S378 I379	H287-Q337 HydrophobicContact CB-CG 4.14Å; H287-D376 PolarHBondContact ND1-O 3.35Å; H287-S378 PolarHBondContact O-N 2.9Å; H287-I379 PolarHBondContact O-N 3.02Å
288	M	95.2	Very high	93.7	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	158.3	-174.3	65.2	169.8	-84.6	0	0	113.6	L278 V286 I290 Q337 A349 W350 I379 F381	L278-M288 HydrophobicContact CD2-SD 3.83Å; V286-M288 PolarHBondContact O-N 2.66Å; M288-I290 HydrophobicContact CE-CD1 4.1Å; M288-I290 HydrophobicContact CE-CG1 4Å; M288-Q337 PolarHBondContact O-OE1 2.85Å; M288-A349 HydrophobicContact SD-CB 3.62Å; M288-W350 HydrophobicContact CE-CD2 4.38Å; M288-W350 HydrophobicContact CE-CG 4.33Å; M288-W350 VanDerWaalsContact CE-O 3.27Å; M288-W350 WeakPolarHBondContact CE-O 3.44Å; M288-W350 HydrophobicContact CG-CD2 4.35Å; M288-W350 HydrophobicContact CG-CE3 4.34Å; M288-W350 HydrophobicContact CG-CH2 4.25Å; M288-W350 HydrophobicContact CG-CZ2 4.17Å; M288-W350 HydrophobicContact CG-CZ3 4.32Å; M288-W350 WeakPolarHBondContact O-CZ2 3.39Å; M288-W350 HydrophobicContact SD-CD2 4.49Å; M288-I379 VanDerWaalsContact CA-O 3.24Å; M288-I379 WeakPolarHBondContact CA-O 3.26Å; M288-I379 HydrophobicContact CB-CG2 3.7Å; M288-F381 HydrophobicContact CE-CD2 3.96Å; M288-F381 HydrophobicContact CE-CE2 3.88Å; M288-F381 HydrophobicContact SD-CE2 4.32Å
289	T	96.1	Very high	93.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	163.1	166	-169.1	0	0	0	0	110.8	L291 A370 M374 A377 I379 I380 F381	T289-L291 HydrophobicContact CG2-CD2 4.4Å; T289-A370 WeakPolarHBondContact OG1-CA 3.4Å; T289-A370 PolarHBondContact OG1-O 3.2Å; T289-M374 HydrophobicContact CG2-CB 4.08Å; T289-M374 HydrophobicContact CG2-CG 4.4Å; T289-A377 HydrophobicContact CG2-CB 4.02Å; T289-I379 PolarHBondContact N-O 2.9Å; T289-I380 HydrophobicContact CG2-CB 4.38Å; T289-I380 HydrophobicContact CG2-CG1 4.05Å; T289-I380 HydrophobicContact CG2-CG2 4Å; T289-F381 PolarHBondContact O-N 3.36Å
290	I	96.8	Very high	93.8	Very high	3 Å²	3	32 Å²	32	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	117.6	174.8	-55.4	174.1	0	0	0	108.9	I271 M288 W350 I352 A370 F381	I271-I290 HydrophobicContact CD1-CG2 4.36Å; I271-I290 HydrophobicContact CG2-CD1 4.05Å; I271-I290 HydrophobicContact CG2-CG1 4.24Å; I271-I290 HydrophobicContact CG2-CG2 3.77Å; M288-I290 HydrophobicContact CE-CD1 4.1Å; M288-I290 HydrophobicContact CE-CG1 4Å; I290-W350 WeakPolarHBondContact CD1-O 3.35Å; I290-I352 HydrophobicContact CB-CG1 4.3Å; I290-I352 HydrophobicContact CD1-CG1 4.26Å; I290-I352 HydrophobicContact CG2-CD1 3.95Å; I290-I352 HydrophobicContact CG2-CG1 3.62Å; I290-A370 WeakPolarHBondContact O-CB 3.46Å; I290-F381 WeakPolarHBondContact CA-O 3.4Å; I290-F381 HydrophobicContact CG1-CB 4.15Å; I290-F381 HydrophobicContact CG1-CD2 4.24Å; I290-F381 HydrophobicContact CG2-CB 4.42Å
291	L	96.3	Very high	93.9	Very high	5 Å²	5	28.6 Å²	28.6	3%	0.026	17%	0.17	C	C	.	.			trans	-85.7	132.6	174	-51.9	-179.3	0	0	0	109.9	H268 T289 M374 I380 F381 C382 Y386 I398	H268-L291 PolarHBondContact CE1-O 2.93Å; T289-L291 HydrophobicContact CG2-CD2 4.4Å; L291-M374 HydrophobicContact CD1-SD 3.75Å; L291-M374 HydrophobicContact CD2-SD 4.08Å; L291-M374 HydrophobicContact CG-SD 4.48Å; L291-I380 HydrophobicContact CD1-CG2 3.87Å; L291-I380 HydrophobicContact CG-CG2 3.92Å; L291-F381 PolarHBondContact N-O 3.21Å; L291-C382 HydrophobicContact CB-CB 4.01Å; L291-C382 HydrophobicContact CD1-CB 4.36Å; L291-C382 HydrophobicContact CG-CB 4.49Å; L291-Y386 HydrophobicContact CB-CD1 4.09Å; L291-Y386 HydrophobicContact CB-CE1 4.12Å; L291-I398 HydrophobicContact CD1-CD1 3.8Å; L291-I398 HydrophobicContact CD1-CG1 4.25Å
292	S	94.3	Very high	93.8	Very high	5 Å²	5	33 Å²	33	4%	0.035	19%	0.193	C	C	.	.			trans	-156.6	163.8	-177.9	-174.9	0	0	0	0	111.6	H268 H296	H268-S292 WeakPolarHBondContact CE1-CB 3.3Å; H268-S292 PolarHBondContact CE1-OG 3.43Å; H268-S292 PolarHBondContact NE2-OG 3.28Å; S292-H296 WeakPolarHBondContact OG-CB 3.16Å; S292-H296 PolarHBondContact OG-CD2 3.34Å
293	S	92.4	Very high	93.7	Very high	26 Å²	26	29.4 Å²	29.4	18%	0.182	17%	0.171	C	C	.	.			trans	-70.4	163.7	-178.7	84.1	0	0	0	0	111.7	D295 H296 T297 Y386	S293-D295 WeakPolarHBondContact CB-OD2 3.2Å; S293-D295 PolarHBondContact O-N 2.88Å; S293-D295 VanDerWaalsContact O-N 3.16Å; S293-D295 WeakPolarHBondContact OG-CB 3.27Å; S293-D295 PolarHBondContact OG-N 3.01Å; S293-D295 PolarHBondContact OG-OD2 3.36Å; S293-H296 PolarHBondContact O-N 2.91Å; S293-T297 PolarHBondContact O-N 3.41Å; S293-T297 VanDerWaalsContact O-N 3.17Å; S293-T297 PolarHBondContact O-OG1 3.35Å; S293-Y386 PolarHBondContact N-OH 2.95Å; S293-Y386 VanDerWaalsContact N-OH 3.08Å
294	R	92.9	Very high	93.5	Very high	30 Å²	30	30.8 Å²	30.8	11%	0.113	18%	0.183	C	C	.	.	H	α-helix	trans	-62.8	-17.3	174	-64.8	-174.8	-176.4	72.5	5.4	112.8	H296 C298 R309 N310 C313 Y367 Y368	R294-H296 VanDerWaalsContact C-N 3.31Å; R294-C298 WeakPolarHBondContact O-CB 3.28Å; R294-C298 PolarHBondContact O-N 3.24Å; R294-R309 HydrophobicContact CB-CB 4.45Å; R294-N310 VanDerWaalsContact CD-OD1 3.32Å; R294-N310 WeakPolarHBondContact CD-OD1 3.37Å; R294-N310 PolarHBondContact NH1-OD1 3.12Å; R294-C313 PolarHBondContact NE-SG 3.49Å; R294-C313 VanDerWaalsContact NE-SG 3.38Å; R294-Y367 HydrophobicContact CG-CD1 4.45Å; R294-Y367 HydrophobicContact CG-CD2 3.61Å; R294-Y367 HydrophobicContact CG-CE2 3.71Å; R294-Y367 HydrophobicContact CG-CG 4Å; R294-Y367 PolarHBondContact NH1-OH 3.17Å; R294-Y367 VanDerWaalsContact NH2-CE1 3.32Å; R294-Y367 PolarHBondContact NH2-OH 3.16Å; R294-Y368 PolarHBondContact NH2-OH 2.6Å
295	D	89.9	Confident	93.3	Very high	72 Å²	72	34.2 Å²	34.2	39%	0.385	21%	0.205	S	C	.	.	H	α-helix	trans	-70.5	-28.8	177.6	-45.6	-75.3	0	0	0	112.7	S293 R309	S293-D295 WeakPolarHBondContact CB-OD2 3.2Å; S293-D295 PolarHBondContact O-N 2.88Å; S293-D295 VanDerWaalsContact O-N 3.16Å; S293-D295 WeakPolarHBondContact OG-CB 3.27Å; S293-D295 PolarHBondContact OG-N 3.01Å; S293-D295 PolarHBondContact OG-OD2 3.36Å; D295-R309 WeakPolarHBondContact OD1-CD 3.26Å; D295-R309 IonicContact OD1-CZ 2.73Å; D295-R309 IonicContact OD1-NE 2.66Å; D295-R309 IonicContact OD1-NH1 3.38Å; D295-R309 PolarHBondContact OD1-NH1 3.12Å
296	H	90.4	Very high	93.1	Very high	75 Å²	75	35.5 Å²	35.5	35%	0.347	20%	0.2	S	C	.	.	H	α-helix	trans	-96.1	-30.2	174.9	-60.7	-63.3	0	0	0	112.6	H268 S292 S293 R294 I352 V356	H268-H296 AromaticContact CD2-CD2 3.4Å; H268-H296 PolarHBondContact CD2-CD2 3.27Å; H268-H296 VanDerWaalsContact CD2-CD2 3.4Å; H268-H296 AromaticContact CD2-NE2 3.56Å; H268-H296 AromaticContact NE2-CD2 3.86Å; S292-H296 WeakPolarHBondContact OG-CB 3.16Å; S292-H296 PolarHBondContact OG-CD2 3.34Å; S293-H296 PolarHBondContact O-N 2.91Å; R294-H296 VanDerWaalsContact C-N 3.31Å; H296-I352 HydrophobicContact CB-CG2 4.18Å; H296-V356 WeakPolarHBondContact O-CG2 3.22Å
297	T	94.9	Very high	92.7	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.018	23%	0.232	C	C	.	.	H	α-helix	trans	-110.5	-3.2	-166.4	55.8	0	0	0	0	115.8	S293 V299 I352 Y367	S293-T297 PolarHBondContact O-N 3.41Å; S293-T297 VanDerWaalsContact O-N 3.17Å; S293-T297 PolarHBondContact O-OG1 3.35Å; T297-V299 PolarHBondContact O-N 2.96Å; T297-I352 HydrophobicContact CG2-CG2 3.9Å; T297-Y367 WeakPolarHBondContact OG1-CB 3.41Å; T297-Y367 WeakPolarHBondContact OG1-CD2 3.48Å
298	C	95.8	Very high	92.2	Very high	22 Å²	22	41.8 Å²	41.8	15%	0.149	23%	0.226	C	C	.	.			trans	-77.8	117.1	178.5	-168.3	0	0	0	0	112	R294 A304	R294-C298 WeakPolarHBondContact O-CB 3.28Å; R294-C298 PolarHBondContact O-N 3.24Å; C298-A304 HydrophobicContact CB-CB 4.32Å; C298-A304 WeakPolarHBondContact O-CB 3.27Å
299	V	96.1	Very high	92	Very high	13 Å²	13	44.3 Å²	44.3	8%	0.079	24%	0.236	C	C	.	.			trans	-95.4	-3.5	176.8	-62.4	0	0	0	0	114.1	T297 P301 F327 V356 K360 A364	T297-V299 PolarHBondContact O-N 2.96Å; V299-P301 WeakPolarHBondContact O-CD 3.4Å; V299-F327 HydrophobicContact CB-CD1 4.36Å; V299-F327 HydrophobicContact CG2-CB 4.08Å; V299-F327 HydrophobicContact CG2-CD1 3.45Å; V299-F327 VanDerWaalsContact CG2-CD1 3.45Å; V299-F327 HydrophobicContact CG2-CE1 4.05Å; V299-F327 HydrophobicContact CG2-CG 3.89Å; V299-V356 HydrophobicContact CG1-CG1 4.19Å; V299-K360 HydrophobicContact CB-CG 4.12Å; V299-K360 HydrophobicContact CG1-CG 3.92Å; V299-A364 WeakPolarHBondContact CG2-O 3.48Å
300	N	95.1	Very high	91.6	Very high	8 Å²	8	47.7 Å²	47.7	4%	0.043	25%	0.254	C	S	.	.			trans	-83	117.9	-177.1	-177	-5.3	0	0	0	110.6	D302 V303 A304 F327	N300-D302 PolarHBondContact O-N 2.78Å; N300-D302 PolarHBondContact OD1-N 2.77Å; N300-V303 HydrophobicContact CB-CB 4.36Å; N300-V303 HydrophobicContact CB-CG2 4.3Å; N300-V303 PolarHBondContact O-N 3.03Å; N300-V303 VanDerWaalsContact O-N 3.1Å; N300-A304 WeakPolarHBondContact O-CB 3.44Å; N300-A304 PolarHBondContact O-N 3.32Å; N300-F327 HydrophobicContact CB-CD2 3.74Å; N300-F327 HydrophobicContact CB-CE2 3.98Å
301	P	93.1	Very high	91	Very high	83 Å²	83	51.9 Å²	51.9	54%	0.539	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-23.4	-179.1	26.9	-36.1	0	0	0	114	V299 V303 P305	V299-P301 WeakPolarHBondContact O-CD 3.4Å; P301-V303 PolarHBondContact O-N 3.24Å; P301-P305 WeakPolarHBondContact O-CD 3.38Å; P301-P305 VanDerWaalsContact O-CG 3.31Å; P301-P305 WeakPolarHBondContact O-CG 3.37Å
302	D	90	Very high	90.5	Very high	103 Å²	103	56.1 Å²	56.1	55%	0.551	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-9.4	178.9	-54	-36.8	0	0	0	113	N300 R312	N300-D302 PolarHBondContact O-N 2.78Å; N300-D302 PolarHBondContact OD1-N 2.77Å; D302-R312 PolarHBondContact O-NH1 2.91Å
303	V	91.9	Very high	90.4	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.024	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-46.9	-173.1	-177.3	0	0	0	0	111.8	N300 P301 P305 H306 R309 R312 L316	N300-V303 HydrophobicContact CB-CB 4.36Å; N300-V303 HydrophobicContact CB-CG2 4.3Å; N300-V303 PolarHBondContact O-N 3.03Å; N300-V303 VanDerWaalsContact O-N 3.1Å; P301-V303 PolarHBondContact O-N 3.24Å; V303-P305 VanDerWaalsContact C-CD 3.42Å; V303-H306 PolarHBondContact O-N 2.98Å; V303-R309 HydrophobicContact CG1-CB 4.14Å; V303-R312 HydrophobicContact CG1-CB 4.2Å; V303-R312 HydrophobicContact CG2-CB 4.32Å; V303-L316 HydrophobicContact CG2-CD1 3.51Å
304	A	90.6	Very high	90.1	Very high	31 Å²	31	59.3 Å²	59.3	26%	0.256	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-33.5	-173	0	0	0	0	0	115.6	C298 N300 H306 R309	C298-A304 HydrophobicContact CB-CB 4.32Å; C298-A304 WeakPolarHBondContact O-CB 3.27Å; N300-A304 WeakPolarHBondContact O-CB 3.44Å; N300-A304 PolarHBondContact O-N 3.32Å; A304-H306 VanDerWaalsContact C-N 3.34Å; A304-H306 PolarHBondContact O-N 2.59Å; A304-R309 VanDerWaalsContact O-CZ 3.31Å; A304-R309 PolarHBondContact O-NE 2.76Å; A304-R309 PolarHBondContact O-NH2 3.39Å
305	P	89.9	Confident	89.7	Confident	96 Å²	96	60.1 Å²	60.1	62%	0.623	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-20.6	176	-20.5	34.4	0	0	0	114.8	P301 V303	P301-P305 WeakPolarHBondContact O-CD 3.38Å; P301-P305 VanDerWaalsContact O-CG 3.31Å; P301-P305 WeakPolarHBondContact O-CG 3.37Å; V303-P305 VanDerWaalsContact C-CD 3.42Å
306	H	86.4	Confident	89.7	Confident	68 Å²	68	58.2 Å²	58.2	32%	0.315	30%	0.297	S	S	.	.	S	Bend	trans	-85.2	158.3	-173.3	-68.8	-83.4	0	0	0	112.4	V303 A304 R309 R312	V303-H306 PolarHBondContact O-N 2.98Å; A304-H306 VanDerWaalsContact C-N 3.34Å; A304-H306 PolarHBondContact O-N 2.59Å; H306-R309 WeakPolarHBondContact O-CG 3.41Å; H306-R309 PolarHBondContact O-NE 3.14Å; H306-R309 PolarHBondContact O-NH2 3.47Å; H306-R312 PolarHBondContact CD2-NH1 3.3Å; H306-R312 PolarHBondContact NE2-NH1 3.41Å
307	F	83.5	Confident	89.5	Confident	187 Å²	187	57.4 Å²	57.4	82%	0.82	29%	0.294	S	S	*	.	S	Bend	trans	-79.3	-37.3	174.9	64.5	-88.8	0	0	0	112.1	R309	F307-R309 PolarHBondContact O-N 3.29Å
308	N	84.4	Confident	88.8	Confident	42 Å²	42	60.8 Å²	60.8	23%	0.225	31%	0.31	C	S	.	.			trans	-82.1	43	179.6	69.1	-27.6	0	0	0	113.3	N310 E311 R312	N308-N310 VanDerWaalsContact C-N 3.25Å; N308-N310 PolarHBondContact O-N 2.91Å; N308-E311 HydrophobicContact CB-CB 4.28Å; N308-E311 PolarHBondContact ND2-OE2 2.77Å; N308-E311 PolarHBondContact O-N 2.81Å; N308-R312 PolarHBondContact O-N 3.08Å; N308-R312 VanDerWaalsContact O-N 3.14Å
309	R	90.8	Very high	88.1	Confident	55 Å²	55	61.6 Å²	61.6	21%	0.208	32%	0.318	C	S	.	.	H	α-helix	trans	-53.1	-40.8	-175.7	-57.6	-171.5	179.1	84.1	10.1	113.3	R294 D295 V303 A304 H306 F307 E311 C313	R294-R309 HydrophobicContact CB-CB 4.45Å; D295-R309 WeakPolarHBondContact OD1-CD 3.26Å; D295-R309 IonicContact OD1-CZ 2.73Å; D295-R309 IonicContact OD1-NE 2.66Å; D295-R309 IonicContact OD1-NH1 3.38Å; D295-R309 PolarHBondContact OD1-NH1 3.12Å; V303-R309 HydrophobicContact CG1-CB 4.14Å; A304-R309 VanDerWaalsContact O-CZ 3.31Å; A304-R309 PolarHBondContact O-NE 2.76Å; A304-R309 PolarHBondContact O-NH2 3.39Å; H306-R309 WeakPolarHBondContact O-CG 3.41Å; H306-R309 PolarHBondContact O-NE 3.14Å; H306-R309 PolarHBondContact O-NH2 3.47Å; F307-R309 PolarHBondContact O-N 3.29Å; R309-E311 VanDerWaalsContact C-N 3.34Å; R309-E311 PolarHBondContact O-N 3.21Å; R309-C313 WeakPolarHBondContact O-CB 3.24Å; R309-C313 PolarHBondContact O-N 2.96Å
310	N	87.4	Confident	86.8	Confident	70 Å²	70	67.3 Å²	67.3	37%	0.374	34%	0.342	S	S	.	.	H	α-helix	trans	-66.8	-33.6	-178.4	-72.1	-48	0	0	0	113	R294 N308 K314	R294-N310 VanDerWaalsContact CD-OD1 3.32Å; R294-N310 WeakPolarHBondContact CD-OD1 3.37Å; R294-N310 PolarHBondContact NH1-OD1 3.12Å; N308-N310 VanDerWaalsContact C-N 3.25Å; N308-N310 PolarHBondContact O-N 2.91Å; N310-K314 VanDerWaalsContact O-CG 3.31Å; N310-K314 WeakPolarHBondContact O-CG 3.21Å; N310-K314 PolarHBondContact O-N 3.37Å
311	E	84.4	Confident	85.6	Confident	92 Å²	92	72 Å²	72	43%	0.43	37%	0.368	S	S	.	.	H	α-helix	trans	-75.5	-58	178.5	-179.1	174.8	-123.5	0	0	110.3	N308 R309 C313 K314 D315	N308-E311 HydrophobicContact CB-CB 4.28Å; N308-E311 PolarHBondContact ND2-OE2 2.77Å; N308-E311 PolarHBondContact O-N 2.81Å; R309-E311 VanDerWaalsContact C-N 3.34Å; R309-E311 PolarHBondContact O-N 3.21Å; E311-C313 PolarHBondContact O-N 3.07Å; E311-C313 VanDerWaalsContact O-N 3.1Å; E311-K314 WeakPolarHBondContact O-CA 2.98Å; E311-K314 WeakPolarHBondContact O-CB 3.43Å; E311-K314 PolarHBondContact O-N 3.27Å; E311-D315 PolarHBondContact O-N 3.28Å
312	R	87	Confident	84.7	Confident	93 Å²	93	71.6 Å²	71.6	35%	0.351	38%	0.378	S	S	.	.	H	α-helix	trans	-54.9	-34.3	175.8	-75.6	-176.4	160.6	-132.8	-2	113.4	D302 V303 H306 N308 L316	D302-R312 PolarHBondContact O-NH1 2.91Å; V303-R312 HydrophobicContact CG1-CB 4.2Å; V303-R312 HydrophobicContact CG2-CB 4.32Å; H306-R312 PolarHBondContact CD2-NH1 3.3Å; H306-R312 PolarHBondContact NE2-NH1 3.41Å; N308-R312 PolarHBondContact O-N 3.08Å; N308-R312 VanDerWaalsContact O-N 3.14Å; R312-L316 WeakPolarHBondContact O-CG 3.5Å; R312-L316 PolarHBondContact O-N 3.48Å; R312-L316 VanDerWaalsContact O-N 3.11Å
313	C	90.8	Very high	84.4	Confident	13 Å²	13	74.3 Å²	74.3	9%	0.088	38%	0.38	C	S	.	.	H	α-helix	trans	-67.2	-38	173.1	-174	0	0	0	0	112.5	R294 R309 E311 L317	R294-C313 PolarHBondContact NE-SG 3.49Å; R294-C313 VanDerWaalsContact NE-SG 3.38Å; R309-C313 WeakPolarHBondContact O-CB 3.24Å; R309-C313 PolarHBondContact O-N 2.96Å; E311-C313 PolarHBondContact O-N 3.07Å; E311-C313 VanDerWaalsContact O-N 3.1Å; C313-L317 VanDerWaalsContact O-CD1 3.26Å; C313-L317 WeakPolarHBondContact O-CD1 3.36Å; C313-L317 WeakPolarHBondContact O-CG 3.36Å; C313-L317 PolarHBondContact O-N 3.48Å
314	K	85.9	Confident	84.3	Confident	86 Å²	86	76.7 Å²	76.7	37%	0.374	40%	0.397	S	S	.	.	H	α-helix	trans	-66.4	-43.6	174.1	-74.1	170.7	179.2	-176.4	0	110.9	N310 E311 L316 L317 Q318 A536	N310-K314 VanDerWaalsContact O-CG 3.31Å; N310-K314 WeakPolarHBondContact O-CG 3.21Å; N310-K314 PolarHBondContact O-N 3.37Å; E311-K314 WeakPolarHBondContact O-CA 2.98Å; E311-K314 WeakPolarHBondContact O-CB 3.43Å; E311-K314 PolarHBondContact O-N 3.27Å; K314-L316 PolarHBondContact O-N 3.5Å; K314-L317 CarbonylContact O-C 3.53Å; K314-L317 PolarHBondContact O-N 3.38Å; K314-Q318 WeakPolarHBondContact O-CG 3.3Å; K314-Q318 PolarHBondContact O-N 2.86Å; K314-A536 HydrophobicContact CD-CB 4.33Å
315	D	85.7	Confident	84.4	Confident	47 Å²	47	75.7 Å²	75.7	25%	0.251	39%	0.388	S	S	.	.	H	α-helix	trans	-62.3	-43.3	179.7	-60.4	-47.2	0	0	0	112.4	E311 L317 Q318 A319 K320	E311-D315 PolarHBondContact O-N 3.28Å; D315-L317 PolarHBondContact O-N 3.36Å; D315-Q318 CarbonylContact O-C 3.58Å; D315-Q318 PolarHBondContact O-N 2.89Å; D315-Q318 VanDerWaalsContact O-N 3.17Å; D315-A319 PolarHBondContact O-N 2.97Å; D315-K320 HydrophobicContact CB-CD 4.44Å; D315-K320 WeakPolarHBondContact OD1-CE 3.31Å; D315-K320 IonicContact OD1-NZ 2.83Å; D315-K320 PolarHBondContact OD1-NZ 3.49Å
316	L	89.1	Confident	84.5	Confident	31 Å²	31	81.4 Å²	81.4	16%	0.162	40%	0.398	C	S	.	.	H	α-helix	trans	-72.7	-8.6	174.8	-68.6	175.6	0	0	0	114.5	V303 R312 K314 S324 C325	V303-L316 HydrophobicContact CG2-CD1 3.51Å; R312-L316 WeakPolarHBondContact O-CG 3.5Å; R312-L316 PolarHBondContact O-N 3.48Å; R312-L316 VanDerWaalsContact O-N 3.11Å; K314-L316 PolarHBondContact O-N 3.5Å; L316-S324 CarbonylContact O-C 3.48Å; L316-S324 VanDerWaalsContact O-CA 3.31Å; L316-S324 WeakPolarHBondContact O-CA 3.43Å; L316-C325 HydrophobicContact CB-CB 4.05Å; L316-C325 PolarHBondContact O-N 2.98Å
317	L	87.4	Confident	85	Confident	58 Å²	58	79.7 Å²	79.7	30%	0.304	39%	0.389	S	S	.	.	H	α-helix	trans	-96.5	-23.6	169	-69.7	166.3	0	0	0	112	C313 K314 D315 Y328 Y368	C313-L317 VanDerWaalsContact O-CD1 3.26Å; C313-L317 WeakPolarHBondContact O-CD1 3.36Å; C313-L317 WeakPolarHBondContact O-CG 3.36Å; C313-L317 PolarHBondContact O-N 3.48Å; K314-L317 CarbonylContact O-C 3.53Å; K314-L317 PolarHBondContact O-N 3.38Å; D315-L317 PolarHBondContact O-N 3.36Å; L317-Y328 HydrophobicContact CD2-CD1 3.65Å; L317-Y328 HydrophobicContact CD2-CD2 3.55Å; L317-Y328 HydrophobicContact CD2-CE1 3.97Å; L317-Y328 HydrophobicContact CD2-CE2 3.87Å; L317-Y328 HydrophobicContact CD2-CG 3.41Å; L317-Y328 VanDerWaalsContact CD2-CG 3.41Å; L317-Y368 HydrophobicContact CD1-CE2 3.84Å; L317-Y368 VanDerWaalsContact CD1-OH 3.23Å; L317-Y368 WeakPolarHBondContact CD1-OH 3.47Å
318	Q	80.6	Confident	85.5	Confident	74 Å²	74	75.2 Å²	75.2	35%	0.346	37%	0.367	S	S	.	.	H	α-helix	trans	-86.7	-11.1	170.7	-70	174.4	-22.5	0	0	112.7	K314 D315 K320	K314-Q318 WeakPolarHBondContact O-CG 3.3Å; K314-Q318 PolarHBondContact O-N 2.86Å; D315-Q318 CarbonylContact O-C 3.58Å; D315-Q318 PolarHBondContact O-N 2.89Å; D315-Q318 VanDerWaalsContact O-N 3.17Å; Q318-K320 VanDerWaalsContact C-N 3.25Å; Q318-K320 HydrophobicContact CB-CG 4.23Å; Q318-K320 PolarHBondContact O-N 3.31Å
319	A	81.1	Confident	85.8	Confident	39 Å²	39	78.7 Å²	78.7	32%	0.322	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	29.5	177.7	0	0	0	0	0	115.4	D315 D321 G322	D315-A319 PolarHBondContact O-N 2.97Å; A319-D321 PolarHBondContact O-N 2.84Å; A319-D321 VanDerWaalsContact O-N 3.11Å; A319-G322 WeakPolarHBondContact O-CA 3.14Å; A319-G322 PolarHBondContact O-N 3.12Å
320	K	67.6	Low	85.9	Confident	134 Å²	134	76.4 Å²	76.4	58%	0.583	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-40.6	-175.6	-70.2	177.2	177.7	162.2	0	114.4	D315 Q318 G322	D315-K320 HydrophobicContact CB-CD 4.44Å; D315-K320 WeakPolarHBondContact OD1-CE 3.31Å; D315-K320 IonicContact OD1-NZ 2.83Å; D315-K320 PolarHBondContact OD1-NZ 3.49Å; Q318-K320 VanDerWaalsContact C-N 3.25Å; Q318-K320 HydrophobicContact CB-CG 4.23Å; Q318-K320 PolarHBondContact O-N 3.31Å; K320-G322 PolarHBondContact O-N 3.16Å
321	D	70	Confident	86.2	Confident	107 Å²	107	73.1 Å²	73.1	57%	0.572	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	12.6	-180	-62.7	5.2	0	0	0	113.5	A319 R323	A319-D321 PolarHBondContact O-N 2.84Å; A319-D321 VanDerWaalsContact O-N 3.11Å; D321-R323 HydrophobicContact CB-CB 4.26Å; D321-R323 HydrophobicContact CB-CG 4.32Å; D321-R323 PolarHBondContact O-N 2.94Å; D321-R323 IonicContact OD2-CZ 3.3Å; D321-R323 IonicContact OD2-NE 2.67Å; D321-R323 IonicContact OD2-NH2 2.68Å; D321-R323 PolarHBondContact OD2-NH2 3.43Å
322	G	75.1	Confident	86.5	Confident	73 Å²	73	73.1 Å²	73.1	75%	0.753	36%	0.358	S	S	*	.	S	Bend	trans	66.8	6.2	-162.4	0	0	0	0	0	113.8	A319 K320	A319-G322 WeakPolarHBondContact O-CA 3.14Å; A319-G322 PolarHBondContact O-N 3.12Å; K320-G322 PolarHBondContact O-N 3.16Å
323	R	81.9	Confident	86.7	Confident	160 Å²	160	73.4 Å²	73.4	60%	0.604	36%	0.362	S	S	*	.			trans	-115.4	119.9	-175.1	-62.9	-177.6	-64.8	174.3	-0.3	110.4	D321	D321-R323 HydrophobicContact CB-CB 4.26Å; D321-R323 HydrophobicContact CB-CG 4.32Å; D321-R323 PolarHBondContact O-N 2.94Å; D321-R323 IonicContact OD2-CZ 3.3Å; D321-R323 IonicContact OD2-NE 2.67Å; D321-R323 IonicContact OD2-NH2 2.68Å; D321-R323 PolarHBondContact OD2-NH2 3.43Å
324	S	90.1	Very high	86.7	Confident	54 Å²	54	72.8 Å²	72.8	38%	0.378	36%	0.358	S	S	.	.			trans	-107	156.5	177.1	58.9	0	0	0	0	112.8	L316 R326 H329	L316-S324 CarbonylContact O-C 3.48Å; L316-S324 VanDerWaalsContact O-CA 3.31Å; L316-S324 WeakPolarHBondContact O-CA 3.43Å; S324-R326 PolarHBondContact O-N 2.91Å; S324-H329 PolarHBondContact OG-NE2 3.18Å
325	C	93.2	Very high	86.8	Confident	11 Å²	11	74.5 Å²	74.5	7%	0.074	36%	0.362	C	S	.	.			trans	-67.2	101	-177.2	-172.7	0	0	0	0	112	L316 F327 Y328 H329	L316-C325 HydrophobicContact CB-CB 4.05Å; L316-C325 PolarHBondContact O-N 2.98Å; C325-F327 PolarHBondContact O-N 2.9Å; C325-Y328 WeakPolarHBondContact O-CB 3.44Å; C325-Y328 PolarHBondContact O-N 3.34Å; C325-H329 PolarHBondContact O-N 3.45Å
326	R	92.5	Very high	86.9	Confident	216 Å²	216	74 Å²	74	82%	0.815	36%	0.36	S	S	*	.	H	α-helix	trans	-50.3	-35.2	178.4	-64.7	176.5	178.6	163.7	-2	113.8	S324 G330	S324-R326 PolarHBondContact O-N 2.91Å; R326-G330 PolarHBondContact O-N 3.15Å
327	F	95.5	Very high	86.8	Confident	32 Å²	32	72.8 Å²	72.8	14%	0.14	35%	0.353	C	S	.	.	H	α-helix	trans	-73.9	-29.1	179.2	-61.8	-94.9	0	0	0	112.9	V299 N300 C325 G330 V331 R363 A364 C365	V299-F327 HydrophobicContact CB-CD1 4.36Å; V299-F327 HydrophobicContact CG2-CB 4.08Å; V299-F327 HydrophobicContact CG2-CD1 3.45Å; V299-F327 VanDerWaalsContact CG2-CD1 3.45Å; V299-F327 HydrophobicContact CG2-CE1 4.05Å; V299-F327 HydrophobicContact CG2-CG 3.89Å; N300-F327 HydrophobicContact CB-CD2 3.74Å; N300-F327 HydrophobicContact CB-CE2 3.98Å; C325-F327 PolarHBondContact O-N 2.9Å; F327-G330 PolarHBondContact O-N 3Å; F327-V331 PolarHBondContact O-N 3.4Å; F327-R363 HydrophobicContact CD1-CB 4.4Å; F327-R363 HydrophobicContact CE1-CB 4.34Å; F327-A364 CarbonylContact O-C 3.57Å; F327-A364 WeakPolarHBondContact O-CA 3.39Å; F327-C365 HydrophobicContact CB-CB 4.04Å; F327-C365 WeakPolarHBondContact O-CB 3.3Å; F327-C365 PolarHBondContact O-N 3.34Å
328	Y	94.7	Very high	86.8	Confident	92 Å²	92	75.7 Å²	75.7	36%	0.361	37%	0.365	S	S	.	.	H	α-helix	trans	-66.2	-46.6	176.2	176.2	-104.1	0	0	0	110.7	L317 C325 G330 V331 Y368	L317-Y328 HydrophobicContact CD2-CD1 3.65Å; L317-Y328 HydrophobicContact CD2-CD2 3.55Å; L317-Y328 HydrophobicContact CD2-CE1 3.97Å; L317-Y328 HydrophobicContact CD2-CE2 3.87Å; L317-Y328 HydrophobicContact CD2-CG 3.41Å; L317-Y328 VanDerWaalsContact CD2-CG 3.41Å; C325-Y328 WeakPolarHBondContact O-CB 3.44Å; C325-Y328 PolarHBondContact O-N 3.34Å; Y328-G330 PolarHBondContact O-N 3.09Å; Y328-G330 VanDerWaalsContact O-N 3.15Å; Y328-V331 VanDerWaalsContact O-CB 3.27Å; Y328-V331 WeakPolarHBondContact O-CB 3.41Å; Y328-V331 WeakPolarHBondContact O-CG2 3.46Å; Y328-V331 PolarHBondContact O-N 3.16Å; Y328-Y368 HydrophobicContact CD2-CD1 4.18Å; Y328-Y368 AromaticContact CD2-CD2 3.63Å; Y328-Y368 HydrophobicContact CD2-CD2 3.63Å; Y328-Y368 HydrophobicContact CD2-CE2 4.09Å; Y328-Y368 AromaticContact CD2-CG 3.72Å; Y328-Y368 HydrophobicContact CD2-CG 3.72Å; Y328-Y368 AromaticContact CE2-CD1 3.69Å; Y328-Y368 HydrophobicContact CE2-CD1 3.69Å; Y328-Y368 AromaticContact CE2-CD2 4Å; Y328-Y368 HydrophobicContact CE2-CD2 4Å; Y328-Y368 AromaticContact CE2-CE1 3.99Å; Y328-Y368 HydrophobicContact CE2-CE1 3.99Å; Y328-Y368 HydrophobicContact CE2-CE2 4.3Å; Y328-Y368 AromaticContact CE2-CG 3.72Å; Y328-Y368 HydrophobicContact CE2-CG 3.72Å
329	H	91.6	Very high	87	Confident	115 Å²	115	73.7 Å²	73.7	53%	0.532	36%	0.357	S	S	.	.	H	α-helix	trans	-60.2	-26.5	173.3	-56.4	-46.6	0	0	0	112.9	S324 C325	S324-H329 PolarHBondContact OG-NE2 3.18Å; C325-H329 PolarHBondContact O-N 3.45Å
330	G	92.3	Very high	87.3	Confident	8 Å²	8	71.8 Å²	71.8	8%	0.082	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-76.2	-10.8	174.5	0	0	0	0	0	115.8	R326 F327 Y328 Q332 K333 A364	R326-G330 PolarHBondContact O-N 3.15Å; F327-G330 PolarHBondContact O-N 3Å; Y328-G330 PolarHBondContact O-N 3.09Å; Y328-G330 VanDerWaalsContact O-N 3.15Å; G330-Q332 PolarHBondContact O-N 2.94Å; G330-Q332 VanDerWaalsContact O-N 3.11Å; G330-K333 WeakPolarHBondContact O-CG 3.42Å; G330-K333 PolarHBondContact O-N 3.47Å; G330-K333 VanDerWaalsContact O-N 3.15Å; G330-A364 WeakPolarHBondContact O-CB 3.33Å
331	V	93.7	Very high	88.1	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-57.1	-30.2	-174.7	173.3	0	0	0	0	112.8	F327 Y328 K333 M334 R335 C365 A369 E372	F327-V331 PolarHBondContact O-N 3.4Å; Y328-V331 VanDerWaalsContact O-CB 3.27Å; Y328-V331 WeakPolarHBondContact O-CB 3.41Å; Y328-V331 WeakPolarHBondContact O-CG2 3.46Å; Y328-V331 PolarHBondContact O-N 3.16Å; V331-K333 PolarHBondContact O-N 2.86Å; V331-M334 PolarHBondContact O-N 2.92Å; V331-R335 PolarHBondContact O-N 3.43Å; V331-C365 HydrophobicContact CG2-CB 3.65Å; V331-A369 HydrophobicContact CG1-CB 4.19Å; V331-E372 HydrophobicContact CG1-CG 4.48Å; V331-E372 WeakPolarHBondContact CG1-OE1 3.21Å
332	Q	90.7	Very high	88.7	Confident	92 Å²	92	68.5 Å²	68.5	43%	0.43	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-59.8	-12.6	-179.6	-57.1	-56.7	-68.8	0	0	114.3	G330 R335 E372	G330-Q332 PolarHBondContact O-N 2.94Å; G330-Q332 VanDerWaalsContact O-N 3.11Å; Q332-R335 VanDerWaalsContact OE1-CD 3.26Å; Q332-E372 PolarHBondContact NE2-OE2 3.17Å
333	K	91.3	Very high	89.2	Confident	100 Å²	100	69.7 Å²	69.7	44%	0.435	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-82.1	-10.6	171.6	-55.2	177	-170.8	179.1	0	114.4	G330 V331 T339 H344 L362	G330-K333 WeakPolarHBondContact O-CG 3.42Å; G330-K333 PolarHBondContact O-N 3.47Å; G330-K333 VanDerWaalsContact O-N 3.15Å; V331-K333 PolarHBondContact O-N 2.86Å; K333-T339 WeakPolarHBondContact O-CG2 3.38Å; K333-H344 PolarHBondContact O-CD2 2.93Å; K333-H344 PolarHBondContact O-NE2 2.85Å; K333-L362 HydrophobicContact CD-CB 4.26Å; K333-L362 PolarHBondContact NZ-O 2.85Å
334	M	91.7	Very high	89.5	Confident	0 Å²	0	64 Å²	64	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	-135.4	8.3	-171.4	-69.1	-177.4	62	0	0	112.9	V331 L340 L355 L358 L362 A364 A369	V331-M334 PolarHBondContact O-N 2.92Å; M334-L340 HydrophobicContact CB-CD2 4.06Å; M334-L340 HydrophobicContact CE-CD2 4.23Å; M334-L340 HydrophobicContact CG-CD2 4.05Å; M334-L355 HydrophobicContact CE-CD1 3.49Å; M334-L355 VanDerWaalsContact CE-CD1 3.49Å; M334-L355 HydrophobicContact CE-CG 4.1Å; M334-L358 HydrophobicContact CE-CB 4.09Å; M334-L358 HydrophobicContact CE-CD2 3.99Å; M334-L358 HydrophobicContact CE-CG 3.87Å; M334-L358 HydrophobicContact SD-CG 4.15Å; M334-L362 HydrophobicContact CG-CD1 3.58Å; M334-L362 HydrophobicContact SD-CD1 3.88Å; M334-A364 HydrophobicContact CG-CB 4.09Å; M334-A364 HydrophobicContact SD-CB 3.65Å; M334-A369 HydrophobicContact CB-CB 3.72Å; M334-A369 HydrophobicContact CE-CB 4.41Å
335	R	87.8	Confident	89.2	Confident	121 Å²	121	64 Å²	64	46%	0.457	30%	0.3	S	S	.	.	S	Bend	trans	-72.4	-31	-173.1	68.4	-179.5	-175.2	169.5	10.4	114.1	V331 Q332 E372 L373	V331-R335 PolarHBondContact O-N 3.43Å; Q332-R335 VanDerWaalsContact OE1-CD 3.26Å; R335-E372 HydrophobicContact CB-CB 3.93Å; R335-E372 WeakPolarHBondContact CB-OE2 3.4Å; R335-L373 WeakPolarHBondContact O-CD2 3.32Å; R335-L373 PolarHBondContact O-N 2.89Å
336	D	87.8	Confident	89	Confident	38 Å²	38	64.8 Å²	64.8	20%	0.203	30%	0.303	C	S	.	.	S	Bend	trans	-116	141.6	-173.1	64.5	-81.3	0	0	0	112.4	H338 T339 L340	D336-H338 PolarHBondContact O-N 3.38Å; D336-T339 VanDerWaalsContact CG-OG1 3.27Å; D336-T339 PolarHBondContact O-N 2.76Å; D336-T339 PolarHBondContact OD1-OG1 3.43Å; D336-T339 VanDerWaalsContact OD1-OG1 3.13Å; D336-T339 WeakPolarHBondContact OD2-CB 3.36Å; D336-T339 PolarHBondContact OD2-N 2.98Å; D336-T339 PolarHBondContact OD2-OG1 2.92Å; D336-L340 PolarHBondContact O-N 3.24Å
337	Q	86.8	Confident	88.7	Confident	4 Å²	4	60.8 Å²	60.8	2%	0.019	29%	0.288	C	S	.	.	H	α-helix	trans	-57.6	-37.5	-178.8	-171.4	76.3	18.9	0	0	112.1	H287 M288 L340 Q341 W350	H287-Q337 HydrophobicContact CB-CG 4.14Å; M288-Q337 PolarHBondContact O-OE1 2.85Å; Q337-L340 PolarHBondContact O-N 3.23Å; Q337-Q341 HydrophobicContact CG-CG 4.22Å; Q337-Q341 VanDerWaalsContact NE2-NE2 3.14Å; Q337-Q341 WeakPolarHBondContact O-CB 3.42Å; Q337-Q341 WeakPolarHBondContact O-CG 3.28Å; Q337-Q341 PolarHBondContact O-N 3.44Å; Q337-W350 VanDerWaalsContact NE2-CH2 3.3Å
338	H	86.1	Confident	88.4	Confident	120 Å²	120	64 Å²	64	56%	0.556	30%	0.304	S	S	*	.	H	α-helix	trans	-64.3	-45.8	-176.4	-179.5	-85	0	0	0	111.6	D336 Q341 W342	D336-H338 PolarHBondContact O-N 3.38Å; H338-Q341 PolarHBondContact O-N 2.92Å; H338-W342 AromaticContact CD2-CD1 3.46Å; H338-W342 VanDerWaalsContact CD2-CD1 3.46Å; H338-W342 AromaticContact CG-CD1 3.93Å; H338-W342 AromaticContact NE2-CD1 3.63Å; H338-W342 WeakPolarHBondContact O-CB 3.23Å; H338-W342 PolarHBondContact O-N 3.19Å
339	T	85.8	Confident	88.4	Confident	31 Å²	31	59.7 Å²	59.7	19%	0.19	29%	0.287	C	S	.	.	I	π-helix	trans	-63.9	-41.1	176.1	-61.9	0	0	0	0	111.4	K333 D336 V343 H344	K333-T339 WeakPolarHBondContact O-CG2 3.38Å; D336-T339 VanDerWaalsContact CG-OG1 3.27Å; D336-T339 PolarHBondContact O-N 2.76Å; D336-T339 PolarHBondContact OD1-OG1 3.43Å; D336-T339 VanDerWaalsContact OD1-OG1 3.13Å; D336-T339 WeakPolarHBondContact OD2-CB 3.36Å; D336-T339 PolarHBondContact OD2-N 2.98Å; D336-T339 PolarHBondContact OD2-OG1 2.92Å; T339-V343 HydrophobicContact CG2-CB 4.06Å; T339-V343 HydrophobicContact CG2-CG2 4.24Å; T339-V343 WeakPolarHBondContact O-CA 3.25Å; T339-V343 WeakPolarHBondContact O-CB 3.43Å; T339-V343 PolarHBondContact O-N 3.2Å; T339-H344 PolarHBondContact O-N 3.43Å
340	L	86.4	Confident	88.5	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.263	C	S	.	.	I	π-helix	trans	-58.6	-51.7	173.7	-68.6	-174.6	0	0	0	112.4	M334 D336 Q337 H344 G345 L346 W350 L358 L373	M334-L340 HydrophobicContact CB-CD2 4.06Å; M334-L340 HydrophobicContact CE-CD2 4.23Å; M334-L340 HydrophobicContact CG-CD2 4.05Å; D336-L340 PolarHBondContact O-N 3.24Å; Q337-L340 PolarHBondContact O-N 3.23Å; L340-H344 CarbonylContact O-C 3.55Å; L340-H344 PolarHBondContact O-N 2.88Å; L340-G345 PolarHBondContact O-N 3.5Å; L340-L346 HydrophobicContact CB-CB 4.42Å; L340-L346 PolarHBondContact O-N 2.96Å; L340-W350 HydrophobicContact CD1-CH2 3.68Å; L340-W350 HydrophobicContact CD1-CZ2 3.88Å; L340-L358 HydrophobicContact CD2-CD2 3.63Å; L340-L373 HydrophobicContact CD1-CD1 3.6Å; L340-L373 HydrophobicContact CD1-CD2 3.6Å; L340-L373 HydrophobicContact CD1-CG 4.25Å; L340-L373 HydrophobicContact CG-CD2 4.39Å
341	Q	85.4	Confident	88.7	Confident	21 Å²	21	54.9 Å²	54.9	10%	0.098	26%	0.263	C	S	.	.	I	π-helix	trans	-71.9	-46.5	-175	-67.2	-176	-34.9	0	0	112.7	G285 Q337 H338 L346 R347	G285-Q341 PolarHBondContact O-NE2 3.04Å; G285-Q341 VanDerWaalsContact O-NE2 3.1Å; Q337-Q341 HydrophobicContact CG-CG 4.22Å; Q337-Q341 VanDerWaalsContact NE2-NE2 3.14Å; Q337-Q341 WeakPolarHBondContact O-CB 3.42Å; Q337-Q341 WeakPolarHBondContact O-CG 3.28Å; Q337-Q341 PolarHBondContact O-N 3.44Å; H338-Q341 PolarHBondContact O-N 2.92Å; Q341-L346 WeakPolarHBondContact CG-O 3.25Å; Q341-R347 HydrophobicContact CB-CG 4.3Å; Q341-R347 PolarHBondContact NE2-O 3.18Å; Q341-R347 WeakPolarHBondContact O-CG 3.04Å; Q341-R347 PolarHBondContact O-NE 3.24Å
342	W	82.6	Confident	88.7	Confident	150 Å²	150	55.1 Å²	55.1	57%	0.568	27%	0.265	S	S	*	.	I	π-helix	trans	-96.5	-35.8	-169.1	-63.6	99.5	0	0	0	114.3	H338	H338-W342 AromaticContact CD2-CD1 3.46Å; H338-W342 VanDerWaalsContact CD2-CD1 3.46Å; H338-W342 AromaticContact CG-CD1 3.93Å; H338-W342 AromaticContact NE2-CD1 3.63Å; H338-W342 WeakPolarHBondContact O-CB 3.23Å; H338-W342 PolarHBondContact O-N 3.19Å
343	V	85.1	Confident	88.9	Confident	98 Å²	98	55.3 Å²	55.3	59%	0.594	27%	0.265	S	S	*	.	I	π-helix	trans	-94.1	-31	-178.5	-171.5	0	0	0	0	111.7	T339	T339-V343 HydrophobicContact CG2-CB 4.06Å; T339-V343 HydrophobicContact CG2-CG2 4.24Å; T339-V343 WeakPolarHBondContact O-CA 3.25Å; T339-V343 WeakPolarHBondContact O-CB 3.43Å; T339-V343 PolarHBondContact O-N 3.2Å
344	H	87.6	Confident	89	Confident	41 Å²	41	53.3 Å²	53.3	19%	0.19	26%	0.26	C	S	.	.	S	Bend	trans	-111.3	-8.3	-174.3	-65.4	-26.1	0	0	0	115.3	K333 T339 L340 L358 R361 L362	K333-H344 PolarHBondContact O-CD2 2.93Å; K333-H344 PolarHBondContact O-NE2 2.85Å; T339-H344 PolarHBondContact O-N 3.43Å; L340-H344 CarbonylContact O-C 3.55Å; L340-H344 PolarHBondContact O-N 2.88Å; H344-L358 HydrophobicContact CB-CD1 4.16Å; H344-L358 HydrophobicContact CB-CD2 4.26Å; H344-R361 PolarHBondContact O-NH2 2.84Å; H344-L362 WeakPolarHBondContact CD2-CD1 3.37Å; H344-L362 WeakPolarHBondContact NE2-CD1 3.35Å
345	G	84.9	Confident	89.2	Confident	54 Å²	54	53.5 Å²	53.5	56%	0.557	26%	0.261	S	S	*	.			trans	89.1	1.5	170.4	0	0	0	0	0	115.4	L340 R347	L340-G345 PolarHBondContact O-N 3.5Å; G345-R347 PolarHBondContact O-N 2.9Å
346	L	88.4	Confident	89.6	Confident	27 Å²	27	48.4 Å²	48.4	14%	0.141	24%	0.243	C	C	.	.			trans	-82.1	60.5	-176.4	-158.2	71.9	0	0	0	110.6	L340 Q341 W350 D354 L355 L358	L340-L346 HydrophobicContact CB-CB 4.42Å; L340-L346 PolarHBondContact O-N 2.96Å; Q341-L346 WeakPolarHBondContact CG-O 3.25Å; L346-W350 HydrophobicContact CB-CE3 4.47Å; L346-W350 HydrophobicContact CD1-CB 3.92Å; L346-W350 HydrophobicContact CD1-CG 4.49Å; L346-W350 HydrophobicContact CD2-CB 4.08Å; L346-W350 HydrophobicContact CD2-CD2 3.46Å; L346-W350 VanDerWaalsContact CD2-CD2 3.46Å; L346-W350 HydrophobicContact CD2-CE3 3.53Å; L346-W350 HydrophobicContact CD2-CG 3.75Å; L346-W350 HydrophobicContact CD2-CH2 4.36Å; L346-W350 HydrophobicContact CD2-CZ2 4.38Å; L346-W350 HydrophobicContact CD2-CZ3 3.98Å; L346-W350 HydrophobicContact CG-CB 4.05Å; L346-W350 HydrophobicContact CG-CD2 3.89Å; L346-W350 HydrophobicContact CG-CE3 3.55Å; L346-W350 HydrophobicContact CG-CG 4.16Å; L346-W350 HydrophobicContact CG-CZ3 4.12Å; L346-D354 HydrophobicContact CD1-CB 4.35Å; L346-L355 HydrophobicContact CD2-CD1 4.46Å; L346-L358 HydrophobicContact CB-CD2 4.46Å; L346-L358 HydrophobicContact CD2-CD2 4.04Å
347	R	86.1	Confident	90	Very high	132 Å²	132	50 Å²	50	50%	0.498	26%	0.257	S	S	.	.			trans	-74.9	-43.7	-169.8	-69.7	-174.9	-179.9	-175.9	2.8	113.8	Q341 G345	Q341-R347 HydrophobicContact CB-CG 4.3Å; Q341-R347 PolarHBondContact NE2-O 3.18Å; Q341-R347 WeakPolarHBondContact O-CG 3.04Å; Q341-R347 PolarHBondContact O-NE 3.24Å; G345-R347 PolarHBondContact O-N 2.9Å
348	E	90.6	Very high	90.4	Very high	100 Å²	100	50.3 Å²	50.3	47%	0.467	26%	0.258	S	S	.	.	S	Bend	trans	-93	164.3	179.1	-55.1	-178.3	151.7	0	0	110.9	K279 S284	K279-E348 WeakPolarHBondContact CE-OE2 3.39Å; K279-E348 HydrophobicContact CG-CB 4.09Å; S284-E348 CarbonylContact O-C 3.26Å; S284-E348 WeakPolarHBondContact O-CA 3.21Å
349	A	93.7	Very high	90.8	Very high	2 Å²	2	44.6 Å²	44.6	2%	0.017	23%	0.232	C	C	.	.			trans	-48.3	140.5	174.3	0	0	0	0	0	113.1	L278 K279 S284 M288	L278-A349 HydrophobicContact CB-CB 4.11Å; L278-A349 HydrophobicContact CD2-CB 3.82Å; L278-A349 HydrophobicContact CG-CB 3.8Å; K279-A349 HydrophobicContact CB-CB 4.16Å; K279-A349 WeakPolarHBondContact CD-O 3.23Å; K279-A349 WeakPolarHBondContact CE-O 3.46Å; K279-A349 PolarHBondContact NZ-O 2.8Å; S284-A349 PolarHBondContact O-N 3.33Å; M288-A349 HydrophobicContact SD-CB 3.62Å
350	W	94.6	Very high	91.3	Very high	3 Å²	3	49 Å²	49	1%	0.011	25%	0.249	C	C	.	.			trans	-133.7	159.8	-167.8	62.8	75.4	0	0	0	110.8	A275 M288 I290 Q337 L340 L346 D354	A275-W350 WeakPolarHBondContact CB-O 3.49Å; M288-W350 HydrophobicContact CE-CD2 4.38Å; M288-W350 HydrophobicContact CE-CG 4.33Å; M288-W350 VanDerWaalsContact CE-O 3.27Å; M288-W350 WeakPolarHBondContact CE-O 3.44Å; M288-W350 HydrophobicContact CG-CD2 4.35Å; M288-W350 HydrophobicContact CG-CE3 4.34Å; M288-W350 HydrophobicContact CG-CH2 4.25Å; M288-W350 HydrophobicContact CG-CZ2 4.17Å; M288-W350 HydrophobicContact CG-CZ3 4.32Å; M288-W350 WeakPolarHBondContact O-CZ2 3.39Å; M288-W350 HydrophobicContact SD-CD2 4.49Å; I290-W350 WeakPolarHBondContact CD1-O 3.35Å; Q337-W350 VanDerWaalsContact NE2-CH2 3.3Å; L340-W350 HydrophobicContact CD1-CH2 3.68Å; L340-W350 HydrophobicContact CD1-CZ2 3.88Å; L346-W350 HydrophobicContact CB-CE3 4.47Å; L346-W350 HydrophobicContact CD1-CB 3.92Å; L346-W350 HydrophobicContact CD1-CG 4.49Å; L346-W350 HydrophobicContact CD2-CB 4.08Å; L346-W350 HydrophobicContact CD2-CD2 3.46Å; L346-W350 VanDerWaalsContact CD2-CD2 3.46Å; L346-W350 HydrophobicContact CD2-CE3 3.53Å; L346-W350 HydrophobicContact CD2-CG 3.75Å; L346-W350 HydrophobicContact CD2-CH2 4.36Å; L346-W350 HydrophobicContact CD2-CZ2 4.38Å; L346-W350 HydrophobicContact CD2-CZ3 3.98Å; L346-W350 HydrophobicContact CG-CB 4.05Å; L346-W350 HydrophobicContact CG-CD2 3.89Å; L346-W350 HydrophobicContact CG-CE3 3.55Å; L346-W350 HydrophobicContact CG-CG 4.16Å; L346-W350 HydrophobicContact CG-CZ3 4.12Å; W350-D354 WeakPolarHBondContact CA-OD2 3.47Å; W350-D354 HydrophobicContact CB-CB 3.88Å; W350-D354 WeakPolarHBondContact CB-OD2 3.41Å
351	D	95.3	Very high	91.7	Very high	18 Å²	18	56.9 Å²	56.9	10%	0.096	28%	0.278	C	S	.	.			trans	-102.7	-169.8	173.2	68	18.7	0	0	0	113.1	T272 A275 H276 E353 D354 L355	T272-D351 HydrophobicContact CG2-CB 4.04Å; A275-D351 HydrophobicContact CB-CB 4.42Å; H276-D351 IonicContact CE1-OD2 3.43Å; H276-D351 PolarHBondContact CE1-OD2 3.27Å; D351-E353 WeakPolarHBondContact OD1-CA 3.33Å; D351-E353 WeakPolarHBondContact OD1-CB 3.15Å; D351-E353 PolarHBondContact OD1-N 3.46Å; D351-E353 VanDerWaalsContact OD1-N 3.08Å; D351-D354 PolarHBondContact N-OD2 3.39Å; D351-D354 PolarHBondContact OD1-N 2.81Å; D351-L355 PolarHBondContact O-N 3.35Å
352	I	94.5	Very high	92.1	Very high	6 Å²	6	57.1 Å²	57.1	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-71.9	-39	-178.2	-59.2	169.5	0	0	0	109.5	H268 I290 H296 T297 L355 V356	H268-I352 HydrophobicContact CB-CD1 4.1Å; I290-I352 HydrophobicContact CB-CG1 4.3Å; I290-I352 HydrophobicContact CD1-CG1 4.26Å; I290-I352 HydrophobicContact CG2-CD1 3.95Å; I290-I352 HydrophobicContact CG2-CG1 3.62Å; H296-I352 HydrophobicContact CB-CG2 4.18Å; T297-I352 HydrophobicContact CG2-CG2 3.9Å; I352-L355 PolarHBondContact O-N 2.89Å; I352-V356 HydrophobicContact CG2-CG2 4.22Å; I352-V356 WeakPolarHBondContact O-CB 3.39Å; I352-V356 WeakPolarHBondContact O-CG2 3.32Å; I352-V356 PolarHBondContact O-N 3.25Å
353	E	94.1	Very high	92.7	Very high	95 Å²	95	59 Å²	59	44%	0.444	29%	0.287	S	S	.	.	H	α-helix	trans	-65.5	-39.6	-178.7	-69.5	67	-158.1	0	0	112.1	D351 S357	D351-E353 WeakPolarHBondContact OD1-CA 3.33Å; D351-E353 WeakPolarHBondContact OD1-CB 3.15Å; D351-E353 PolarHBondContact OD1-N 3.46Å; D351-E353 VanDerWaalsContact OD1-N 3.08Å; E353-S357 VanDerWaalsContact O-CB 3.29Å; E353-S357 WeakPolarHBondContact O-CB 3.48Å; E353-S357 PolarHBondContact O-N 2.87Å; E353-S357 PolarHBondContact O-OG 3.29Å
354	D	94.9	Very high	93.2	Very high	59 Å²	59	54.3 Å²	54.3	32%	0.316	26%	0.259	S	S	.	.	H	α-helix	trans	-55.2	-55.7	167.8	-86.5	-32.4	0	0	0	111.2	L346 W350 D351 V356 S357 L358	L346-D354 HydrophobicContact CD1-CB 4.35Å; W350-D354 WeakPolarHBondContact CA-OD2 3.47Å; W350-D354 HydrophobicContact CB-CB 3.88Å; W350-D354 WeakPolarHBondContact CB-OD2 3.41Å; D351-D354 PolarHBondContact N-OD2 3.39Å; D351-D354 PolarHBondContact OD1-N 2.81Å; D354-V356 VanDerWaalsContact C-N 3.3Å; D354-V356 PolarHBondContact O-N 2.95Å; D354-S357 PolarHBondContact O-N 3.41Å; D354-L358 WeakPolarHBondContact O-CB 3.15Å; D354-L358 PolarHBondContact O-N 3.04Å
355	L	94.9	Very high	93.6	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-66.4	-32	-176.2	-169.2	71	0	0	0	112.3	M334 L346 D351 I352 G359 S366 A370	M334-L355 HydrophobicContact CE-CD1 3.49Å; M334-L355 VanDerWaalsContact CE-CD1 3.49Å; M334-L355 HydrophobicContact CE-CG 4.1Å; L346-L355 HydrophobicContact CD2-CD1 4.46Å; D351-L355 PolarHBondContact O-N 3.35Å; I352-L355 PolarHBondContact O-N 2.89Å; L355-G359 PolarHBondContact O-N 2.95Å; L355-S366 PolarHBondContact O-OG 2.84Å; L355-A370 HydrophobicContact CD2-CB 4.13Å
356	V	95.9	Very high	94.2	Very high	14 Å²	14	50.2 Å²	50.2	9%	0.085	23%	0.226	C	C	.	.	H	α-helix	trans	-71.6	-41	173.8	164.7	0	0	0	0	111.6	H296 V299 I352 D354 L358 G359 K360 S366	H296-V356 WeakPolarHBondContact O-CG2 3.22Å; V299-V356 HydrophobicContact CG1-CG1 4.19Å; I352-V356 HydrophobicContact CG2-CG2 4.22Å; I352-V356 WeakPolarHBondContact O-CB 3.39Å; I352-V356 WeakPolarHBondContact O-CG2 3.32Å; I352-V356 PolarHBondContact O-N 3.25Å; D354-V356 VanDerWaalsContact C-N 3.3Å; D354-V356 PolarHBondContact O-N 2.95Å; V356-L358 VanDerWaalsContact C-N 3.33Å; V356-G359 PolarHBondContact O-N 3.24Å; V356-K360 HydrophobicContact CG1-CD 4.38Å; V356-K360 WeakPolarHBondContact O-CG 3.45Å; V356-K360 PolarHBondContact O-N 3.03Å; V356-S366 WeakPolarHBondContact CA-OG 3.41Å
357	S	95.9	Very high	94.6	Very high	70 Å²	70	49.3 Å²	49.3	49%	0.49	22%	0.221	S	C	.	.	H	α-helix	trans	-65.5	-39.1	175.9	-60.4	0	0	0	0	111.3	E353 D354 K360 R361	E353-S357 VanDerWaalsContact O-CB 3.29Å; E353-S357 WeakPolarHBondContact O-CB 3.48Å; E353-S357 PolarHBondContact O-N 2.87Å; E353-S357 PolarHBondContact O-OG 3.29Å; D354-S357 PolarHBondContact O-N 3.41Å; S357-K360 PolarHBondContact O-N 3Å; S357-R361 PolarHBondContact O-N 3.1Å
358	L	94.8	Very high	95	Very high	11 Å²	11	44.6 Å²	44.6	6%	0.058	20%	0.203	C	C	.	.	H	α-helix	trans	-65.1	-44.1	172.9	-174.1	54.9	0	0	0	112.5	M334 L340 H344 L346 D354 V356 K360 R361 L362	M334-L358 HydrophobicContact CE-CB 4.09Å; M334-L358 HydrophobicContact CE-CD2 3.99Å; M334-L358 HydrophobicContact CE-CG 3.87Å; M334-L358 HydrophobicContact SD-CG 4.15Å; L340-L358 HydrophobicContact CD2-CD2 3.63Å; H344-L358 HydrophobicContact CB-CD1 4.16Å; H344-L358 HydrophobicContact CB-CD2 4.26Å; L346-L358 HydrophobicContact CB-CD2 4.46Å; L346-L358 HydrophobicContact CD2-CD2 4.04Å; D354-L358 WeakPolarHBondContact O-CB 3.15Å; D354-L358 PolarHBondContact O-N 3.04Å; V356-L358 VanDerWaalsContact C-N 3.33Å; L358-K360 PolarHBondContact O-N 2.74Å; L358-R361 WeakPolarHBondContact O-CB 3.19Å; L358-R361 PolarHBondContact O-N 3.44Å; L358-L362 HydrophobicContact CD1-CD1 3.62Å; L358-L362 HydrophobicContact CD1-CG 3.96Å; L358-L362 HydrophobicContact CG-CD1 3.84Å; L358-L362 HydrophobicContact CG-CG 4.48Å; L358-L362 WeakPolarHBondContact O-CG 3.48Å; L358-L362 PolarHBondContact O-N 3Å
359	G	95.4	Very high	95.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.8	-40.7	176	0	0	0	0	0	113.4	L355 V356 R363 A364	L355-G359 PolarHBondContact O-N 2.95Å; V356-G359 PolarHBondContact O-N 3.24Å; G359-R363 WeakPolarHBondContact O-CA 3.46Å; G359-R363 PolarHBondContact O-N 2.94Å; G359-A364 CarbonylContact C-O 3.59Å; G359-A364 WeakPolarHBondContact CA-O 3.11Å; G359-A364 PolarHBondContact O-N 3.46Å
360	K	95.5	Very high	95.3	Very high	125 Å²	125	39.9 Å²	39.9	54%	0.543	18%	0.181	S	C	.	.	H	α-helix	trans	-58.9	-49.7	170.9	-71.3	167.5	-176.1	171.3	0	111.3	V299 V356 S357 L358 L362 R363	V299-K360 HydrophobicContact CB-CG 4.12Å; V299-K360 HydrophobicContact CG1-CG 3.92Å; V356-K360 HydrophobicContact CG1-CD 4.38Å; V356-K360 WeakPolarHBondContact O-CG 3.45Å; V356-K360 PolarHBondContact O-N 3.03Å; S357-K360 PolarHBondContact O-N 3Å; L358-K360 PolarHBondContact O-N 2.74Å; K360-L362 PolarHBondContact O-N 2.66Å; K360-R363 PolarHBondContact O-N 2.96Å
361	R	94.8	Very high	95.4	Very high	164 Å²	164	41.4 Å²	41.4	62%	0.619	19%	0.187	S	C	*	.	H	α-helix	trans	-59	-43	179.5	-176.7	173.2	70.2	155.4	-2.1	112.7	H344 S357 L358	H344-R361 PolarHBondContact O-NH2 2.84Å; S357-R361 PolarHBondContact O-N 3.1Å; L358-R361 WeakPolarHBondContact O-CB 3.19Å; L358-R361 PolarHBondContact O-N 3.44Å
362	L	93.9	Very high	95.3	Very high	26 Å²	26	42.8 Å²	42.8	14%	0.136	19%	0.193	C	C	.	.	H	α-helix	trans	-89.7	-7.3	-174.9	-62.1	175.3	0	0	0	114.3	K333 M334 H344 L358 K360 A364	K333-L362 HydrophobicContact CD-CB 4.26Å; K333-L362 PolarHBondContact NZ-O 2.85Å; M334-L362 HydrophobicContact CG-CD1 3.58Å; M334-L362 HydrophobicContact SD-CD1 3.88Å; H344-L362 WeakPolarHBondContact CD2-CD1 3.37Å; H344-L362 WeakPolarHBondContact NE2-CD1 3.35Å; L358-L362 HydrophobicContact CD1-CD1 3.62Å; L358-L362 HydrophobicContact CD1-CG 3.96Å; L358-L362 HydrophobicContact CG-CD1 3.84Å; L358-L362 HydrophobicContact CG-CG 4.48Å; L358-L362 WeakPolarHBondContact O-CG 3.48Å; L358-L362 PolarHBondContact O-N 3Å; K360-L362 PolarHBondContact O-N 2.66Å; L362-A364 HydrophobicContact CB-CB 4.16Å
363	R	95	Very high	95.3	Very high	189 Å²	189	42.6 Å²	42.6	71%	0.713	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	48.5	-167.6	-57.1	-179.6	177.7	177.6	-1.1	112	F327 G359 K360	F327-R363 HydrophobicContact CD1-CB 4.4Å; F327-R363 HydrophobicContact CE1-CB 4.34Å; G359-R363 WeakPolarHBondContact O-CA 3.46Å; G359-R363 PolarHBondContact O-N 2.94Å; K360-R363 PolarHBondContact O-N 2.96Å
364	A	96.3	Very high	95.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.175	C	C	.	.			trans	-128.1	143.4	-175.7	0	0	0	0	0	111.1	V299 F327 G330 M334 G359 L362 S366	V299-A364 WeakPolarHBondContact CG2-O 3.48Å; F327-A364 CarbonylContact O-C 3.57Å; F327-A364 WeakPolarHBondContact O-CA 3.39Å; G330-A364 WeakPolarHBondContact O-CB 3.33Å; M334-A364 HydrophobicContact CG-CB 4.09Å; M334-A364 HydrophobicContact SD-CB 3.65Å; G359-A364 CarbonylContact C-O 3.59Å; G359-A364 WeakPolarHBondContact CA-O 3.11Å; G359-A364 PolarHBondContact O-N 3.46Å; L362-A364 HydrophobicContact CB-CB 4.16Å; A364-S366 PolarHBondContact O-N 2.87Å
365	C	96.8	Very high	95.1	Very high	9 Å²	9	42.4 Å²	42.4	6%	0.061	19%	0.189	C	C	.	.			trans	-83.8	102.3	-172.3	-170.2	0	0	0	0	112.5	F327 V331 Y367 Y368 A369	F327-C365 HydrophobicContact CB-CB 4.04Å; F327-C365 WeakPolarHBondContact O-CB 3.3Å; F327-C365 PolarHBondContact O-N 3.34Å; V331-C365 HydrophobicContact CG2-CB 3.65Å; C365-Y367 PolarHBondContact O-N 2.81Å; C365-Y367 VanDerWaalsContact O-N 3.16Å; C365-Y368 PolarHBondContact O-N 2.81Å; C365-A369 PolarHBondContact O-N 2.86Å
366	S	96.7	Very high	94.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-54.6	-34.1	-179.2	-49.8	0	0	0	0	114.2	L355 V356 A364 A370	L355-S366 PolarHBondContact O-OG 2.84Å; V356-S366 WeakPolarHBondContact CA-OG 3.41Å; A364-S366 PolarHBondContact O-N 2.87Å; S366-A370 WeakPolarHBondContact O-CB 3.27Å; S366-A370 PolarHBondContact O-N 2.84Å
367	Y	96.1	Very high	94.9	Very high	9 Å²	9	46.6 Å²	46.6	4%	0.035	21%	0.212	C	C	.	.	H	α-helix	trans	-58.6	-47.5	174.1	178.7	-90.3	0	0	0	112.8	R294 T297 C365 M396	R294-Y367 HydrophobicContact CG-CD1 4.45Å; R294-Y367 HydrophobicContact CG-CD2 3.61Å; R294-Y367 HydrophobicContact CG-CE2 3.71Å; R294-Y367 HydrophobicContact CG-CG 4Å; R294-Y367 PolarHBondContact NH1-OH 3.17Å; R294-Y367 VanDerWaalsContact NH2-CE1 3.32Å; R294-Y367 PolarHBondContact NH2-OH 3.16Å; T297-Y367 WeakPolarHBondContact OG1-CB 3.41Å; T297-Y367 WeakPolarHBondContact OG1-CD2 3.48Å; C365-Y367 PolarHBondContact O-N 2.81Å; C365-Y367 VanDerWaalsContact O-N 3.16Å; Y367-M396 HydrophobicContact CE2-CE 4.17Å; Y367-M396 WeakPolarHBondContact OH-CE 3.49Å
368	Y	95.5	Very high	94.8	Very high	32 Å²	32	44.1 Å²	44.1	13%	0.125	19%	0.194	C	C	.	.	H	α-helix	trans	-80.7	-33.6	-178.9	-81.2	-80.7	0	0	0	111.8	R294 L317 Y328 C365 A370 R371 E372	R294-Y368 PolarHBondContact NH2-OH 2.6Å; L317-Y368 HydrophobicContact CD1-CE2 3.84Å; L317-Y368 VanDerWaalsContact CD1-OH 3.23Å; L317-Y368 WeakPolarHBondContact CD1-OH 3.47Å; Y328-Y368 HydrophobicContact CD2-CD1 4.18Å; Y328-Y368 AromaticContact CD2-CD2 3.63Å; Y328-Y368 HydrophobicContact CD2-CD2 3.63Å; Y328-Y368 HydrophobicContact CD2-CE2 4.09Å; Y328-Y368 AromaticContact CD2-CG 3.72Å; Y328-Y368 HydrophobicContact CD2-CG 3.72Å; Y328-Y368 AromaticContact CE2-CD1 3.69Å; Y328-Y368 HydrophobicContact CE2-CD1 3.69Å; Y328-Y368 AromaticContact CE2-CD2 4Å; Y328-Y368 HydrophobicContact CE2-CD2 4Å; Y328-Y368 AromaticContact CE2-CE1 3.99Å; Y328-Y368 HydrophobicContact CE2-CE1 3.99Å; Y328-Y368 HydrophobicContact CE2-CE2 4.3Å; Y328-Y368 AromaticContact CE2-CG 3.72Å; Y328-Y368 HydrophobicContact CE2-CG 3.72Å; C365-Y368 PolarHBondContact O-N 2.81Å; Y368-A370 VanDerWaalsContact C-N 3.33Å; Y368-A370 PolarHBondContact O-N 2.71Å; Y368-R371 WeakPolarHBondContact O-CB 3.44Å; Y368-R371 PolarHBondContact O-N 2.81Å; Y368-R371 VanDerWaalsContact O-N 3.1Å; Y368-E372 PolarHBondContact O-N 2.77Å
369	A	95.9	Very high	94.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-57.2	-45.3	170.7	0	0	0	0	0	111.6	V331 M334 C365 R371 E372 L373	V331-A369 HydrophobicContact CG1-CB 4.19Å; M334-A369 HydrophobicContact CB-CB 3.72Å; M334-A369 HydrophobicContact CE-CB 4.41Å; C365-A369 PolarHBondContact O-N 2.86Å; A369-R371 PolarHBondContact O-N 3.31Å; A369-E372 PolarHBondContact O-N 2.89Å; A369-L373 WeakPolarHBondContact O-CB 3.5Å; A369-L373 VanDerWaalsContact O-CD1 3.32Å; A369-L373 WeakPolarHBondContact O-CD1 3.29Å; A369-L373 WeakPolarHBondContact O-CG 3.5Å; A369-L373 PolarHBondContact O-N 3.09Å
370	A	95.7	Very high	95.1	Very high	3 Å²	3	43.6 Å²	43.6	3%	0.025	19%	0.192	C	C	.	.	H	α-helix	trans	-58.2	-31.8	176.4	0	0	0	0	0	113.6	T289 I290 L355 S366 Y368 M374	T289-A370 WeakPolarHBondContact OG1-CA 3.4Å; T289-A370 PolarHBondContact OG1-O 3.2Å; I290-A370 WeakPolarHBondContact O-CB 3.46Å; L355-A370 HydrophobicContact CD2-CB 4.13Å; S366-A370 WeakPolarHBondContact O-CB 3.27Å; S366-A370 PolarHBondContact O-N 2.84Å; Y368-A370 VanDerWaalsContact C-N 3.33Å; Y368-A370 PolarHBondContact O-N 2.71Å; A370-M374 PolarHBondContact O-N 2.07Å
371	R	94.8	Very high	95.2	Very high	35 Å²	35	37.7 Å²	37.7	13%	0.132	17%	0.166	C	C	.	.	H	α-helix	trans	-77.4	-41.7	175.7	-62.4	-176.4	72.8	-134	-1.3	112.7	Y368 A369 M374 M396 E397	Y368-R371 WeakPolarHBondContact O-CB 3.44Å; Y368-R371 PolarHBondContact O-N 2.81Å; Y368-R371 VanDerWaalsContact O-N 3.1Å; A369-R371 PolarHBondContact O-N 3.31Å; R371-M374 WeakPolarHBondContact O-CB 3.42Å; R371-M374 PolarHBondContact O-N 3.01Å; R371-M396 PolarHBondContact NH2-O 2.93Å; R371-E397 IonicContact CZ-OE1 3.28Å; R371-E397 IonicContact NH1-OE1 3.46Å; R371-E397 PolarHBondContact NH1-OE1 2.97Å; R371-E397 IonicContact NH2-OE1 3.01Å; R371-E397 PolarHBondContact NH2-OE1 3.06Å; R371-E397 IonicContact NH2-OE2 2.88Å
372	E	93.9	Very high	95.2	Very high	47 Å²	47	29.9 Å²	29.9	22%	0.22	14%	0.137	C	C	.	.	H	α-helix	trans	-64.5	-43.7	175.3	-71.7	178.2	-138.7	0	0	110.5	V331 Q332 R335 Y368 A369 M374 Q375	V331-E372 HydrophobicContact CG1-CG 4.48Å; V331-E372 WeakPolarHBondContact CG1-OE1 3.21Å; Q332-E372 PolarHBondContact NE2-OE2 3.17Å; R335-E372 HydrophobicContact CB-CB 3.93Å; R335-E372 WeakPolarHBondContact CB-OE2 3.4Å; Y368-E372 PolarHBondContact O-N 2.77Å; A369-E372 PolarHBondContact O-N 2.89Å; E372-M374 PolarHBondContact O-N 3.26Å; E372-M374 VanDerWaalsContact O-N 3.16Å; E372-Q375 WeakPolarHBondContact O-CB 3.23Å; E372-Q375 WeakPolarHBondContact O-CG 3.5Å; E372-Q375 PolarHBondContact O-N 2.85Å
373	L	94.7	Very high	95.2	Very high	2 Å²	2	29 Å²	29	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-59.9	-25.7	174.4	-68	160.8	0	0	0	113.7	R335 L340 A369 Q375 D376 A377	R335-L373 WeakPolarHBondContact O-CD2 3.32Å; R335-L373 PolarHBondContact O-N 2.89Å; L340-L373 HydrophobicContact CD1-CD1 3.6Å; L340-L373 HydrophobicContact CD1-CD2 3.6Å; L340-L373 HydrophobicContact CD1-CG 4.25Å; L340-L373 HydrophobicContact CG-CD2 4.39Å; A369-L373 WeakPolarHBondContact O-CB 3.5Å; A369-L373 VanDerWaalsContact O-CD1 3.32Å; A369-L373 WeakPolarHBondContact O-CD1 3.29Å; A369-L373 WeakPolarHBondContact O-CG 3.5Å; A369-L373 PolarHBondContact O-N 3.09Å; L373-Q375 PolarHBondContact O-N 3.08Å; L373-Q375 VanDerWaalsContact O-N 3.16Å; L373-D376 PolarHBondContact O-N 2.78Å; L373-A377 VanDerWaalsContact O-CB 3.3Å; L373-A377 WeakPolarHBondContact O-CB 3.49Å; L373-A377 PolarHBondContact O-N 3.09Å
374	M	94.7	Very high	95.1	Very high	18 Å²	18	20.4 Å²	20.4	9%	0.089	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.9	176.1	-165.6	179.2	72.1	0	0	112.4	K260 T289 L291 A370 R371 E372 I380 E397 I398	K260-M374 PolarHBondContact NZ-O 2.99Å; T289-M374 HydrophobicContact CG2-CB 4.08Å; T289-M374 HydrophobicContact CG2-CG 4.4Å; L291-M374 HydrophobicContact CD1-SD 3.75Å; L291-M374 HydrophobicContact CD2-SD 4.08Å; L291-M374 HydrophobicContact CG-SD 4.48Å; A370-M374 PolarHBondContact O-N 2.07Å; R371-M374 WeakPolarHBondContact O-CB 3.42Å; R371-M374 PolarHBondContact O-N 3.01Å; E372-M374 PolarHBondContact O-N 3.26Å; E372-M374 VanDerWaalsContact O-N 3.16Å; M374-I380 HydrophobicContact CG-CG1 4.04Å; M374-I380 HydrophobicContact CG-CG2 4.38Å; M374-E397 VanDerWaalsContact CE-O 3.25Å; M374-E397 WeakPolarHBondContact CE-O 3.31Å; M374-I398 HydrophobicContact CE-CG1 4.24Å; M374-I398 HydrophobicContact SD-CG1 4.01Å
375	Q	90.9	Very high	95	Very high	132 Å²	132	22.8 Å²	22.8	62%	0.617	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-40.5	179.6	-59.5	-172.7	8.6	0	0	112	K260 E372 L373	K260-Q375 WeakPolarHBondContact CE-O 3.45Å; K260-Q375 PolarHBondContact NZ-O 3.33Å; E372-Q375 WeakPolarHBondContact O-CB 3.23Å; E372-Q375 WeakPolarHBondContact O-CG 3.5Å; E372-Q375 PolarHBondContact O-N 2.85Å; L373-Q375 PolarHBondContact O-N 3.08Å; L373-Q375 VanDerWaalsContact O-N 3.16Å
376	D	90.8	Very high	94.9	Very high	104 Å²	104	23.2 Å²	23.2	56%	0.556	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-4.5	-178.8	-69.2	-31.4	0	0	0	114.6	H287 L373	H287-D376 PolarHBondContact ND1-O 3.35Å; L373-D376 PolarHBondContact O-N 2.78Å
377	A	94.2	Very high	94.8	Very high	2 Å²	2	23.3 Å²	23.3	2%	0.017	11%	0.114	C	C	.	.			trans	-63.8	136.8	176.2	0	0	0	0	0	112.6	K260 T289 L373 I380	K260-A377 WeakPolarHBondContact CE-O 3.49Å; T289-A377 HydrophobicContact CG2-CB 4.02Å; L373-A377 VanDerWaalsContact O-CB 3.3Å; L373-A377 WeakPolarHBondContact O-CB 3.49Å; L373-A377 PolarHBondContact O-N 3.09Å; A377-I380 HydrophobicContact CB-CD1 4Å; A377-I380 HydrophobicContact CB-CG1 3.96Å
378	S	95.1	Very high	94.7	Very high	18 Å²	18	23 Å²	23	13%	0.126	11%	0.113	C	C	.	.	S	Bend	trans	-88.3	-32.2	171.4	-60.9	0	0	0	0	111.8	Q63 I261 H287	Q63-S378 PolarHBondContact NE2-O 3.09Å; I261-S378 PolarHBondContact N-O 3.17Å; H287-S378 PolarHBondContact O-N 2.9Å
379	I	97.2	Very high	94.7	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	133.1	172.3	-172.6	164.6	0	0	0	111.2	L56 L60 I261 F263 V286 H287 M288 T289 F381	L56-I379 HydrophobicContact CD2-CD1 3.9Å; L60-I379 HydrophobicContact CD1-CD1 4.43Å; L60-I379 HydrophobicContact CD2-CB 4.21Å; L60-I379 HydrophobicContact CD2-CD1 4.16Å; L60-I379 HydrophobicContact CD2-CG2 4.3Å; L60-I379 HydrophobicContact CG-CD1 4.44Å; I261-I379 HydrophobicContact CB-CB 4.36Å; I261-I379 HydrophobicContact CB-CG1 4.13Å; I261-I379 HydrophobicContact CG2-CD1 4.11Å; I261-I379 HydrophobicContact CG2-CG1 4.06Å; I261-I379 CarbonylContact O-C 3.41Å; I261-I379 WeakPolarHBondContact O-CA 3.47Å; F263-I379 HydrophobicContact CB-CD1 4.41Å; F263-I379 HydrophobicContact CB-CG1 4.41Å; F263-I379 HydrophobicContact CD2-CD1 4.25Å; V286-I379 HydrophobicContact CG1-CG2 4.29Å; H287-I379 PolarHBondContact O-N 3.02Å; M288-I379 VanDerWaalsContact CA-O 3.24Å; M288-I379 WeakPolarHBondContact CA-O 3.26Å; M288-I379 HydrophobicContact CB-CG2 3.7Å; T289-I379 PolarHBondContact N-O 2.9Å; I379-F381 HydrophobicContact CD1-CE1 3.97Å; I379-F381 HydrophobicContact CD1-CE2 4.26Å; I379-F381 HydrophobicContact CD1-CZ 3.59Å; I379-F381 HydrophobicContact CG1-CE1 4.33Å; I379-F381 HydrophobicContact CG1-CE2 4.13Å; I379-F381 HydrophobicContact CG1-CZ 3.93Å; I379-F381 HydrophobicContact CG2-CE2 4.12Å; I379-F381 HydrophobicContact CG2-CZ 4.45Å
380	I	97.8	Very high	94.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	114.6	-175.5	-61.2	81.7	0	0	0	107.6	K260 I261 F262 F263 T289 L291 M374 A377	K260-I380 HydrophobicContact CB-CD1 3.91Å; K260-I380 HydrophobicContact CD-CD1 4.04Å; K260-I380 HydrophobicContact CG-CD1 4.3Å; I261-I380 PolarHBondContact O-N 3.36Å; F262-I380 HydrophobicContact CD1-CB 3.82Å; F262-I380 HydrophobicContact CD1-CG1 4.43Å; F262-I380 HydrophobicContact CD1-CG2 3.84Å; F262-I380 HydrophobicContact CE1-CB 3.97Å; F262-I380 HydrophobicContact CE1-CD1 4.49Å; F262-I380 HydrophobicContact CE1-CG1 4.15Å; F262-I380 HydrophobicContact CE1-CG2 3.84Å; F262-I380 HydrophobicContact CG-CB 4.45Å; F262-I380 HydrophobicContact CZ-CD1 4.42Å; F262-I380 HydrophobicContact CZ-CG1 4.48Å; F263-I380 PolarHBondContact N-O 3.42Å; T289-I380 HydrophobicContact CG2-CB 4.38Å; T289-I380 HydrophobicContact CG2-CG1 4.05Å; T289-I380 HydrophobicContact CG2-CG2 4Å; L291-I380 HydrophobicContact CD1-CG2 3.87Å; L291-I380 HydrophobicContact CG-CG2 3.92Å; M374-I380 HydrophobicContact CG-CG1 4.04Å; M374-I380 HydrophobicContact CG-CG2 4.38Å; A377-I380 HydrophobicContact CB-CD1 4Å; A377-I380 HydrophobicContact CB-CG1 3.96Å
381	F	97.8	Very high	94.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	136.4	175	-60.9	-81.1	0	0	0	110.9	L56 F263 I271 I274 L278 M288 T289 I290 L291 I379	L56-F381 HydrophobicContact CD2-CE1 4.02Å; L56-F381 HydrophobicContact CD2-CZ 3.96Å; F263-F381 HydrophobicContact CB-CD1 3.64Å; F263-F381 HydrophobicContact CB-CE1 3.8Å; F263-F381 HydrophobicContact CD1-CD1 4.18Å; F263-F381 HydrophobicContact CD1-CE1 4.28Å; F263-F381 HydrophobicContact CD2-CE1 4.13Å; F263-F381 AromaticContact CG-CD1 3.93Å; F263-F381 HydrophobicContact CG-CD1 3.93Å; F263-F381 AromaticContact CG-CE1 3.81Å; F263-F381 HydrophobicContact CG-CE1 3.81Å; F263-F381 WeakPolarHBondContact O-CA 3.43Å; I271-F381 HydrophobicContact CG2-CB 3.67Å; I271-F381 HydrophobicContact CG2-CG 4.22Å; I274-F381 HydrophobicContact CG2-CD1 4.17Å; I274-F381 HydrophobicContact CG2-CE1 3.53Å; I274-F381 HydrophobicContact CG2-CZ 4.25Å; L278-F381 HydrophobicContact CD2-CE2 4.02Å; L278-F381 HydrophobicContact CD2-CZ 3.97Å; M288-F381 HydrophobicContact CE-CD2 3.96Å; M288-F381 HydrophobicContact CE-CE2 3.88Å; M288-F381 HydrophobicContact SD-CE2 4.32Å; T289-F381 PolarHBondContact O-N 3.36Å; I290-F381 WeakPolarHBondContact CA-O 3.4Å; I290-F381 HydrophobicContact CG1-CB 4.15Å; I290-F381 HydrophobicContact CG1-CD2 4.24Å; I290-F381 HydrophobicContact CG2-CB 4.42Å; L291-F381 PolarHBondContact N-O 3.21Å; I379-F381 HydrophobicContact CD1-CE1 3.97Å; I379-F381 HydrophobicContact CD1-CE2 4.26Å; I379-F381 HydrophobicContact CD1-CZ 3.59Å; I379-F381 HydrophobicContact CG1-CE1 4.33Å; I379-F381 HydrophobicContact CG1-CE2 4.13Å; I379-F381 HydrophobicContact CG1-CZ 3.93Å; I379-F381 HydrophobicContact CG2-CE2 4.12Å; I379-F381 HydrophobicContact CG2-CZ 4.45Å
382	C	96.3	Very high	94.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	162.2	175	59.2	0	0	0	0	111.9	F263 G264 T265 L291 Y386	F263-C382 PolarHBondContact O-N 3.16Å; F263-C382 VanDerWaalsContact O-N 3.08Å; G264-C382 CarbonylContact C-O 3.59Å; G264-C382 VanDerWaalsContact CA-O 3.32Å; G264-C382 WeakPolarHBondContact CA-O 3.42Å; T265-C382 PolarHBondContact N-O 2.96Å; L291-C382 HydrophobicContact CB-CB 4.01Å; L291-C382 HydrophobicContact CD1-CB 4.36Å; L291-C382 HydrophobicContact CG-CB 4.49Å; C382-Y386 HydrophobicContact CB-CG 4.36Å
383	P	93.9	Very high	94.3	Very high	8 Å²	8	25.1 Å²	25.1	5%	0.052	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	133.4	159.4	-19.8	34.3	0	0	0	109	T265 H268 I271 N385 Y386	T265-P383 CarbonylContact O-C 3.58Å; T265-P383 VanDerWaalsContact O-CA 3.27Å; T265-P383 WeakPolarHBondContact O-CA 3.46Å; H268-P383 WeakPolarHBondContact CE1-CG 2.96Å; I271-P383 HydrophobicContact CD1-CG 4.38Å; P383-N385 WeakPolarHBondContact CB-OD1 3.03Å; P383-N385 PolarHBondContact O-N 3.33Å; P383-Y386 HydrophobicContact CB-CD2 4Å; P383-Y386 HydrophobicContact CB-CE2 4.18Å; P383-Y386 HydrophobicContact CG-CD2 4.1Å; P383-Y386 HydrophobicContact CG-CE2 3.89Å; P383-Y386 WeakPolarHBondContact O-CB 3.45Å; P383-Y386 WeakPolarHBondContact O-CD2 3.33Å; P383-Y386 PolarHBondContact O-N 3.4Å
384	Y	92.8	Very high	94.1	Very high	9 Å²	9	30.4 Å²	30.4	4%	0.035	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-13.9	-170.6	59.7	-117.7	0	0	0	114	T265 R266 Y386 L387 L388 N412 I413 C416	T265-Y384 WeakPolarHBondContact O-CD1 2.96Å; T265-Y384 PolarHBondContact O-N 3.03Å; R266-Y384 VanDerWaalsContact CA-CE1 3.47Å; R266-Y384 HydrophobicContact CB-CE1 3.77Å; R266-Y384 HydrophobicContact CG-CE1 4.24Å; Y384-Y386 PolarHBondContact O-N 3.07Å; Y384-L387 WeakPolarHBondContact O-CA 3.33Å; Y384-L387 VanDerWaalsContact O-CB 3.31Å; Y384-L387 WeakPolarHBondContact O-CB 3.41Å; Y384-L387 PolarHBondContact O-N 3.31Å; Y384-L388 HydrophobicContact CD2-CD1 3.93Å; Y384-L388 HydrophobicContact CE2-CD1 4.36Å; Y384-L388 PolarHBondContact O-N 2.9Å; Y384-L388 VanDerWaalsContact O-N 3.11Å; Y384-N412 VanDerWaalsContact OH-CG 3.3Å; Y384-N412 PolarHBondContact OH-ND2 3.34Å; Y384-N412 PolarHBondContact OH-OD1 3.35Å; Y384-N412 VanDerWaalsContact OH-OD1 3.06Å; Y384-I413 HydrophobicContact CD1-CD1 3.87Å; Y384-I413 HydrophobicContact CD2-CD1 3.29Å; Y384-I413 HydrophobicContact CE1-CD1 4.08Å; Y384-I413 HydrophobicContact CE2-CD1 3.58Å; Y384-I413 HydrophobicContact CG-CD1 3.52Å; Y384-C416 HydrophobicContact CE2-CB 3.7Å
385	N	92.9	Very high	93.9	Very high	50 Å²	50	32.9 Å²	32.9	27%	0.267	17%	0.172	S	C	.	.	H	α-helix	trans	-65.9	-22.3	172.6	74.2	-59.2	0	0	0	111.7	P383 L387 L388 D389 I392	P383-N385 WeakPolarHBondContact CB-OD1 3.03Å; P383-N385 PolarHBondContact O-N 3.33Å; N385-L387 PolarHBondContact O-N 3.36Å; N385-L388 PolarHBondContact O-N 3.42Å; N385-D389 WeakPolarHBondContact O-CB 3.41Å; N385-D389 PolarHBondContact O-N 2.78Å; N385-I392 WeakPolarHBondContact ND2-CD1 3.22Å
386	Y	94.8	Very high	94	Very high	18 Å²	18	27.4 Å²	27.4	7%	0.071	15%	0.146	C	C	.	.	H	α-helix	trans	-66.3	-13.7	169	-72.4	-127.4	0	0	0	112.8	L291 S293 C382 P383 Y384 I392 R393 M396 I398	L291-Y386 HydrophobicContact CB-CD1 4.09Å; L291-Y386 HydrophobicContact CB-CE1 4.12Å; S293-Y386 PolarHBondContact N-OH 2.95Å; S293-Y386 VanDerWaalsContact N-OH 3.08Å; C382-Y386 HydrophobicContact CB-CG 4.36Å; P383-Y386 HydrophobicContact CB-CD2 4Å; P383-Y386 HydrophobicContact CB-CE2 4.18Å; P383-Y386 HydrophobicContact CG-CD2 4.1Å; P383-Y386 HydrophobicContact CG-CE2 3.89Å; P383-Y386 WeakPolarHBondContact O-CB 3.45Å; P383-Y386 WeakPolarHBondContact O-CD2 3.33Å; P383-Y386 PolarHBondContact O-N 3.4Å; Y384-Y386 PolarHBondContact O-N 3.07Å; Y386-I392 HydrophobicContact CD1-CG2 3.81Å; Y386-I392 HydrophobicContact CD2-CG2 4.26Å; Y386-I392 HydrophobicContact CE1-CG2 4.33Å; Y386-I392 HydrophobicContact CG-CG2 3.76Å; Y386-R393 WeakPolarHBondContact O-CG 3.33Å; Y386-M396 HydrophobicContact CD1-CE 4.26Å; Y386-M396 HydrophobicContact CD1-CG 4.19Å; Y386-M396 HydrophobicContact CE1-CE 3.58Å; Y386-M396 HydrophobicContact CE1-CG 4.41Å; Y386-M396 HydrophobicContact CE1-SD 4.28Å; Y386-I398 WeakPolarHBondContact O-CD1 3.18Å
387	L	94.8	Very high	94.1	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-105.5	-27.8	-179.8	-51.8	167.1	0	0	0	111.4	F262 Y384 N385 R393 I398 L400 L405 L407	F262-L387 HydrophobicContact CB-CD2 4.02Å; F262-L387 HydrophobicContact CD1-CD2 3.84Å; F262-L387 HydrophobicContact CG-CD2 4.16Å; Y384-L387 WeakPolarHBondContact O-CA 3.33Å; Y384-L387 VanDerWaalsContact O-CB 3.31Å; Y384-L387 WeakPolarHBondContact O-CB 3.41Å; Y384-L387 PolarHBondContact O-N 3.31Å; N385-L387 PolarHBondContact O-N 3.36Å; L387-R393 VanDerWaalsContact O-CD 3.3Å; L387-R393 WeakPolarHBondContact O-CD 3.29Å; L387-R393 PolarHBondContact O-NE 3.29Å; L387-I398 HydrophobicContact CD2-CG2 4.47Å; L387-L400 HydrophobicContact CD2-CD2 4.03Å; L387-L405 HydrophobicContact CB-CD1 4.36Å; L387-L405 HydrophobicContact CD1-CD1 3.76Å; L387-L405 HydrophobicContact CD1-CG 4.39Å; L387-L405 HydrophobicContact CD2-CD1 4.06Å; L387-L405 HydrophobicContact CG-CD1 4.27Å; L387-L407 HydrophobicContact CD1-CD2 3.83Å
388	L	94.4	Very high	94.1	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-86	-53	177.2	-65.3	172.9	0	0	0	112.4	Y384 N385 P390 R393 I413 C416 A417 F619 L622	Y384-L388 HydrophobicContact CD2-CD1 3.93Å; Y384-L388 HydrophobicContact CE2-CD1 4.36Å; Y384-L388 PolarHBondContact O-N 2.9Å; Y384-L388 VanDerWaalsContact O-N 3.11Å; N385-L388 PolarHBondContact O-N 3.42Å; L388-P390 WeakPolarHBondContact O-CD 3.3Å; L388-R393 PolarHBondContact O-NH2 3.42Å; L388-I413 HydrophobicContact CD1-CD1 3.81Å; L388-I413 HydrophobicContact CD1-CG1 4.34Å; L388-C416 HydrophobicContact CD1-CB 4.38Å; L388-A417 HydrophobicContact CD1-CB 4.11Å; L388-A417 HydrophobicContact CD2-CB 4.32Å; L388-F619 HydrophobicContact CD2-CD2 4.06Å; L388-F619 HydrophobicContact CD2-CE2 3.64Å; L388-F619 HydrophobicContact CD2-CZ 3.96Å; L388-L622 HydrophobicContact CD2-CD1 3.96Å
389	D	94.6	Very high	94	Very high	30 Å²	30	33.3 Å²	33.3	16%	0.16	17%	0.172	C	C	.	.			trans	-65.6	117.9	-173.6	-177.6	-40	0	0	0	110.9	N385 I391 I392 R393	N385-D389 WeakPolarHBondContact O-CB 3.41Å; N385-D389 PolarHBondContact O-N 2.78Å; D389-I391 VanDerWaalsContact C-N 3.31Å; D389-I391 PolarHBondContact O-N 3.24Å; D389-I391 WeakPolarHBondContact OD1-CA 3.2Å; D389-I391 WeakPolarHBondContact OD1-CB 3.38Å; D389-I391 PolarHBondContact OD1-N 3.23Å; D389-I392 HydrophobicContact CB-CB 4.01Å; D389-I392 HydrophobicContact CB-CD1 3.85Å; D389-I392 HydrophobicContact CB-CG1 3.95Å; D389-I392 PolarHBondContact O-N 2.88Å; D389-I392 PolarHBondContact OD1-N 3.47Å; D389-I392 WeakPolarHBondContact OD2-CD1 3.33Å; D389-I392 WeakPolarHBondContact OD2-CG1 3.47Å; D389-R393 PolarHBondContact O-N 2.71Å
390	P	92.9	Very high	93.8	Very high	28 Å²	28	33.7 Å²	33.7	18%	0.182	17%	0.174	C	C	.	.	H	α-helix	trans	-62.9	-35	179.6	-20.3	31.3	0	0	0	113.4	L388 R393 E394 M547 F551	L388-P390 WeakPolarHBondContact O-CD 3.3Å; P390-R393 PolarHBondContact O-N 3.42Å; P390-E394 WeakPolarHBondContact O-CB 3.49Å; P390-E394 PolarHBondContact O-N 3.26Å; P390-M547 HydrophobicContact CG-CG 4.31Å; P390-M547 HydrophobicContact CG-SD 4.18Å; P390-F551 HydrophobicContact CG-CE2 4.16Å; P390-F551 HydrophobicContact CG-CZ 3.86Å
391	I	92.8	Very high	93.7	Very high	34 Å²	34	40.6 Å²	40.6	17%	0.174	21%	0.206	C	C	.	.	H	α-helix	trans	-74.2	-36.8	-177.3	-55.6	175	0	0	0	110	D389 S395 K543 N544 M547	D389-I391 VanDerWaalsContact C-N 3.31Å; D389-I391 PolarHBondContact O-N 3.24Å; D389-I391 WeakPolarHBondContact OD1-CA 3.2Å; D389-I391 WeakPolarHBondContact OD1-CB 3.38Å; D389-I391 PolarHBondContact OD1-N 3.23Å; I391-S395 WeakPolarHBondContact O-CB 3.31Å; I391-S395 PolarHBondContact O-N 3.23Å; I391-K543 HydrophobicContact CD1-CB 4.37Å; I391-N544 HydrophobicContact CD1-CB 4.43Å; I391-M547 HydrophobicContact CD1-CB 4.12Å; I391-M547 HydrophobicContact CD1-CG 4.48Å; I391-M547 HydrophobicContact CD1-SD 3.75Å; I391-M547 HydrophobicContact CG1-CB 4.46Å; I391-M547 HydrophobicContact CG1-SD 3.91Å
392	I	93.9	Very high	93.5	Very high	37 Å²	37	42.2 Å²	42.2	19%	0.19	22%	0.223	C	C	.	.	H	α-helix	trans	-69.2	-43.4	172.1	-60.3	173.6	0	0	0	110.5	N385 Y386 D389 E394 S395 M396	N385-I392 WeakPolarHBondContact ND2-CD1 3.22Å; Y386-I392 HydrophobicContact CD1-CG2 3.81Å; Y386-I392 HydrophobicContact CD2-CG2 4.26Å; Y386-I392 HydrophobicContact CE1-CG2 4.33Å; Y386-I392 HydrophobicContact CG-CG2 3.76Å; D389-I392 HydrophobicContact CB-CB 4.01Å; D389-I392 HydrophobicContact CB-CD1 3.85Å; D389-I392 HydrophobicContact CB-CG1 3.95Å; D389-I392 PolarHBondContact O-N 2.88Å; D389-I392 PolarHBondContact OD1-N 3.47Å; D389-I392 WeakPolarHBondContact OD2-CD1 3.33Å; D389-I392 WeakPolarHBondContact OD2-CG1 3.47Å; I392-E394 PolarHBondContact O-N 3.31Å; I392-S395 PolarHBondContact O-N 3.44Å; I392-M396 HydrophobicContact CG2-CG 3.91Å; I392-M396 VanDerWaalsContact O-CB 3.24Å; I392-M396 WeakPolarHBondContact O-CB 3.27Å; I392-M396 WeakPolarHBondContact O-CG 3.5Å; I392-M396 PolarHBondContact O-N 3.21Å
393	R	93.5	Very high	93.4	Very high	34 Å²	34	43.9 Å²	43.9	13%	0.128	23%	0.231	C	C	.	.	H	α-helix	trans	-57	-49.6	175.3	-81.3	-175.7	-81	133.1	-4.6	112	Y386 L387 L388 D389 P390 M396 E397 I398 D621	Y386-R393 WeakPolarHBondContact O-CG 3.33Å; L387-R393 VanDerWaalsContact O-CD 3.3Å; L387-R393 WeakPolarHBondContact O-CD 3.29Å; L387-R393 PolarHBondContact O-NE 3.29Å; L388-R393 PolarHBondContact O-NH2 3.42Å; D389-R393 PolarHBondContact O-N 2.71Å; P390-R393 PolarHBondContact O-N 3.42Å; R393-M396 PolarHBondContact O-N 2.71Å; R393-E397 PolarHBondContact O-N 3.39Å; R393-I398 HydrophobicContact CB-CB 4.48Å; R393-I398 HydrophobicContact CG-CB 4.28Å; R393-I398 HydrophobicContact CG-CG2 4.35Å; R393-I398 PolarHBondContact O-N 2.84Å; R393-D621 IonicContact CZ-OD2 2.62Å; R393-D621 VanDerWaalsContact CZ-OD2 3.23Å; R393-D621 IonicContact NH1-OD2 3.81Å; R393-D621 PolarHBondContact NH1-OD2 2.82Å; R393-D621 IonicContact NH2-OD2 3.9Å; R393-D621 PolarHBondContact NH2-OD2 3.43Å
394	E	91	Very high	93.6	Very high	113 Å²	113	43.5 Å²	43.5	53%	0.528	23%	0.228	S	C	.	.	H	α-helix	trans	-58.2	-51.1	175	-170.5	-153	166.3	0	0	111.3	P390 I392 M396 E397 K543	P390-E394 WeakPolarHBondContact O-CB 3.49Å; P390-E394 PolarHBondContact O-N 3.26Å; I392-E394 PolarHBondContact O-N 3.31Å; E394-M396 PolarHBondContact O-N 2.83Å; E394-E397 PolarHBondContact O-N 2.86Å; E394-K543 IonicContact OE1-NZ 2.93Å; E394-K543 PolarHBondContact OE1-NZ 3.31Å; E394-K543 IonicContact OE2-NZ 3.76Å; E394-K543 PolarHBondContact OE2-NZ 3.06Å
395	S	90.2	Very high	93.8	Very high	70 Å²	70	43.2 Å²	43.2	49%	0.49	23%	0.227	S	C	.	.	H	α-helix	trans	-69.2	-15.7	-177.8	-176.6	0	0	0	0	114.4	I391 I392	I391-S395 WeakPolarHBondContact O-CB 3.31Å; I391-S395 PolarHBondContact O-N 3.23Å; I392-S395 PolarHBondContact O-N 3.44Å
396	M	91.5	Very high	94	Very high	16 Å²	16	41 Å²	41	8%	0.079	22%	0.215	C	C	.	.	H	α-helix	trans	-103.2	-10.7	179	-68.9	-70.5	176	0	0	113	Y367 R371 Y386 I392 R393 E394 I398	Y367-M396 HydrophobicContact CE2-CE 4.17Å; Y367-M396 WeakPolarHBondContact OH-CE 3.49Å; R371-M396 PolarHBondContact NH2-O 2.93Å; Y386-M396 HydrophobicContact CD1-CE 4.26Å; Y386-M396 HydrophobicContact CD1-CG 4.19Å; Y386-M396 HydrophobicContact CE1-CE 3.58Å; Y386-M396 HydrophobicContact CE1-CG 4.41Å; Y386-M396 HydrophobicContact CE1-SD 4.28Å; I392-M396 HydrophobicContact CG2-CG 3.91Å; I392-M396 VanDerWaalsContact O-CB 3.24Å; I392-M396 WeakPolarHBondContact O-CB 3.27Å; I392-M396 WeakPolarHBondContact O-CG 3.5Å; I392-M396 PolarHBondContact O-N 3.21Å; R393-M396 PolarHBondContact O-N 2.71Å; E394-M396 PolarHBondContact O-N 2.83Å; M396-I398 HydrophobicContact CB-CD1 3.57Å; M396-I398 HydrophobicContact CB-CG1 3.67Å; M396-I398 HydrophobicContact CG-CD1 4.26Å
397	E	93.1	Very high	94.1	Very high	133 Å²	133	40.2 Å²	40.2	62%	0.621	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.9	40.7	-172.5	-61.6	150	-131	0	0	111.9	R371 M374 R393 E394 D399	R371-E397 IonicContact CZ-OE1 3.28Å; R371-E397 IonicContact NH1-OE1 3.46Å; R371-E397 PolarHBondContact NH1-OE1 2.97Å; R371-E397 IonicContact NH2-OE1 3.01Å; R371-E397 PolarHBondContact NH2-OE1 3.06Å; R371-E397 IonicContact NH2-OE2 2.88Å; M374-E397 VanDerWaalsContact CE-O 3.25Å; M374-E397 WeakPolarHBondContact CE-O 3.31Å; R393-E397 PolarHBondContact O-N 3.39Å; E394-E397 PolarHBondContact O-N 2.86Å; E397-D399 PolarHBondContact O-N 2.82Å
398	I	94.8	Very high	94	Very high	15 Å²	15	40.2 Å²	40.2	8%	0.077	21%	0.213	C	C	.	.			trans	-88.3	104	179.9	-64.1	168	0	0	0	110.1	F262 L291 M374 Y386 L387 R393 M396 L400	F262-I398 HydrophobicContact CD1-CG2 4.49Å; F262-I398 HydrophobicContact CE1-CG2 3.84Å; F262-I398 HydrophobicContact CZ-CG2 4.09Å; L291-I398 HydrophobicContact CD1-CD1 3.8Å; L291-I398 HydrophobicContact CD1-CG1 4.25Å; M374-I398 HydrophobicContact CE-CG1 4.24Å; M374-I398 HydrophobicContact SD-CG1 4.01Å; Y386-I398 WeakPolarHBondContact O-CD1 3.18Å; L387-I398 HydrophobicContact CD2-CG2 4.47Å; R393-I398 HydrophobicContact CB-CB 4.48Å; R393-I398 HydrophobicContact CG-CB 4.28Å; R393-I398 HydrophobicContact CG-CG2 4.35Å; R393-I398 PolarHBondContact O-N 2.84Å; M396-I398 HydrophobicContact CB-CD1 3.57Å; M396-I398 HydrophobicContact CB-CG1 3.67Å; M396-I398 HydrophobicContact CG-CD1 4.26Å; I398-L400 HydrophobicContact CG2-CD2 3.65Å; I398-L400 HydrophobicContact CG2-CG 3.96Å
399	D	93	Very high	93.7	Very high	100 Å²	100	41.8 Å²	41.8	54%	0.535	22%	0.22	S	C	.	.			trans	-86.5	136.2	164.2	175.3	27.7	0	0	0	110.8	F262 E397 E401	F262-D399 WeakPolarHBondContact CE2-O 2.96Å; E397-D399 PolarHBondContact O-N 2.82Å; D399-E401 WeakPolarHBondContact OD1-CB 3.41Å; D399-E401 PolarHBondContact OD1-N 3.26Å
400	L	94.1	Very high	93.5	Very high	10 Å²	10	40.4 Å²	40.4	5%	0.052	21%	0.212	C	C	.	.			trans	-120.6	-1.6	179.3	-58.9	179.7	0	0	0	113	F262 L387 I398 G402 Q403 L405 L622 V626	F262-L400 HydrophobicContact CD1-CD2 4.22Å; F262-L400 HydrophobicContact CD2-CD2 3.69Å; F262-L400 HydrophobicContact CE1-CD2 4.34Å; F262-L400 HydrophobicContact CE2-CD2 3.82Å; F262-L400 HydrophobicContact CG-CD2 3.89Å; F262-L400 HydrophobicContact CZ-CD2 4.14Å; L387-L400 HydrophobicContact CD2-CD2 4.03Å; I398-L400 HydrophobicContact CG2-CD2 3.65Å; I398-L400 HydrophobicContact CG2-CG 3.96Å; L400-G402 PolarHBondContact O-N 3.09Å; L400-Q403 WeakPolarHBondContact O-CB 3.43Å; L400-Q403 PolarHBondContact O-N 3.23Å; L400-Q403 VanDerWaalsContact O-N 3.07Å; L400-L405 HydrophobicContact CD2-CD1 4.29Å; L400-L622 HydrophobicContact CD1-CD2 3.46Å; L400-L622 VanDerWaalsContact CD1-CD2 3.46Å; L400-V626 HydrophobicContact CB-CG1 3.96Å
401	E	94.4	Very high	93.2	Very high	144 Å²	144	39.5 Å²	39.5	67%	0.673	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	124.4	-178.7	-163.7	-174.3	148.2	0	0	111.3	D399 Q403 S625	D399-E401 WeakPolarHBondContact OD1-CB 3.41Å; D399-E401 PolarHBondContact OD1-N 3.26Å; E401-Q403 WeakPolarHBondContact O-CG 3.43Å; E401-Q403 PolarHBondContact O-N 3.18Å; E401-Q403 VanDerWaalsContact O-N 3.12Å; E401-Q403 PolarHBondContact O-NE2 3.47Å; E401-S625 WeakPolarHBondContact CA-O 3.33Å
402	G	93.4	Very high	92.9	Very high	34 Å²	34	39 Å²	39	35%	0.351	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	2.7	-176.1	0	0	0	0	0	115.5	P259 L400 S625 R627	P259-G402 WeakPolarHBondContact CG-O 3.46Å; L400-G402 PolarHBondContact O-N 3.09Å; G402-S625 PolarHBondContact N-O 3.35Å; G402-R627 VanDerWaalsContact O-CB 3.23Å; G402-R627 WeakPolarHBondContact O-CB 3.46Å
403	Q	95.7	Very high	92.8	Very high	35 Å²	35	37.2 Å²	37.2	16%	0.164	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-84.6	167.2	-176.1	-49.2	-50.7	-41.6	0	0	112.3	F262 L400 E401 R627	F262-Q403 HydrophobicContact CD2-CB 4.1Å; F262-Q403 HydrophobicContact CE2-CB 4.19Å; F262-Q403 HydrophobicContact CE2-CG 4.1Å; L400-Q403 WeakPolarHBondContact O-CB 3.43Å; L400-Q403 PolarHBondContact O-N 3.23Å; L400-Q403 VanDerWaalsContact O-N 3.07Å; E401-Q403 WeakPolarHBondContact O-CG 3.43Å; E401-Q403 PolarHBondContact O-N 3.18Å; E401-Q403 VanDerWaalsContact O-N 3.12Å; E401-Q403 PolarHBondContact O-NE2 3.47Å; Q403-R627 WeakPolarHBondContact O-CB 3.46Å; Q403-R627 PolarHBondContact O-N 3.4Å
404	I	97.3	Very high	92.8	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.4	177.1	-66.8	165	0	0	0	109.4	L35 W62 P259 K260 I261 F262 V406	L35-I404 HydrophobicContact CD2-CD1 3.99Å; L35-I404 HydrophobicContact CD2-CG1 4.15Å; L35-I404 HydrophobicContact CD2-CG2 3.67Å; W62-I404 HydrophobicContact CE3-CD1 3.76Å; W62-I404 HydrophobicContact CH2-CD1 4.08Å; W62-I404 HydrophobicContact CZ3-CD1 3.39Å; P259-I404 HydrophobicContact CB-CD1 3.85Å; P259-I404 HydrophobicContact CB-CG1 3.89Å; P259-I404 HydrophobicContact CG-CD1 4.45Å; K260-I404 PolarHBondContact O-N 3.35Å; I261-I404 HydrophobicContact CG1-CB 4.47Å; F262-I404 PolarHBondContact N-O 3.43Å; I404-V406 HydrophobicContact CG2-CG2 4.15Å
405	L	97.1	Very high	92.8	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.6	176.1	-147.9	69.8	0	0	0	109.9	F262 L387 L400 L407 L622 S628 I629 V630	F262-L405 HydrophobicContact CB-CD1 3.88Å; L387-L405 HydrophobicContact CB-CD1 4.36Å; L387-L405 HydrophobicContact CD1-CD1 3.76Å; L387-L405 HydrophobicContact CD1-CG 4.39Å; L387-L405 HydrophobicContact CD2-CD1 4.06Å; L387-L405 HydrophobicContact CG-CD1 4.27Å; L400-L405 HydrophobicContact CD2-CD1 4.29Å; L405-L407 HydrophobicContact CD2-CD1 4.07Å; L405-L407 HydrophobicContact CD2-CD2 4.23Å; L405-L407 HydrophobicContact CD2-CG 4.24Å; L405-L407 HydrophobicContact CG-CD2 4.07Å; L405-L407 HydrophobicContact CG-CG 4.23Å; L405-L622 HydrophobicContact CD2-CD1 3.98Å; L405-S628 PolarHBondContact N-O 2.86Å; L405-I629 HydrophobicContact CB-CG1 4.22Å; L405-I629 HydrophobicContact CD2-CG1 4.29Å; L405-I629 HydrophobicContact CD2-CG2 4.47Å; L405-I629 CarbonylContact O-C 3.59Å; L405-I629 WeakPolarHBondContact O-CA 3.13Å; L405-V630 PolarHBondContact O-N 3Å
406	V	97.2	Very high	93	Very high	3 Å²	3	29 Å²	29	2%	0.018	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	118.8	172.8	-177.7	0	0	0	0	107.8	L55 I261 F262 F263 G264 I404 V630	L55-V406 HydrophobicContact CB-CG1 4.29Å; L55-V406 HydrophobicContact CD2-CG1 3.81Å; L55-V406 HydrophobicContact CG-CG1 4.45Å; I261-V406 HydrophobicContact CG2-CG2 3.94Å; F262-V406 PolarHBondContact O-N 3.44Å; F263-V406 CarbonylContact C-O 3.57Å; F263-V406 WeakPolarHBondContact CA-O 3.39Å; F263-V406 HydrophobicContact CD2-CB 4.04Å; F263-V406 HydrophobicContact CD2-CG1 3.85Å; F263-V406 HydrophobicContact CE1-CG1 4.45Å; F263-V406 HydrophobicContact CE2-CB 4.37Å; F263-V406 HydrophobicContact CE2-CG1 3.67Å; F263-V406 HydrophobicContact CG-CB 4.32Å; F263-V406 HydrophobicContact CG-CG1 4.35Å; F263-V406 HydrophobicContact CZ-CG1 3.98Å; G264-V406 PolarHBondContact N-O 2.74Å; I404-V406 HydrophobicContact CG2-CG2 4.15Å; V406-V630 CarbonylContact C-O 3.5Å; V406-V630 WeakPolarHBondContact CA-O 3.5Å; V406-V630 HydrophobicContact CG2-CB 4.39Å
407	L	95.6	Very high	93.1	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	108.2	-175.8	-58.2	179.9	0	0	0	109.5	L387 L405 A410 I413 I629 V630 L631 T632	L387-L407 HydrophobicContact CD1-CD2 3.83Å; L405-L407 HydrophobicContact CD2-CD1 4.07Å; L405-L407 HydrophobicContact CD2-CD2 4.23Å; L405-L407 HydrophobicContact CD2-CG 4.24Å; L405-L407 HydrophobicContact CG-CD2 4.07Å; L405-L407 HydrophobicContact CG-CG 4.23Å; L407-A410 HydrophobicContact CB-CB 4.17Å; L407-I413 HydrophobicContact CD1-CD1 4.39Å; L407-I629 HydrophobicContact CD1-CG2 4.29Å; L407-V630 PolarHBondContact N-O 3.42Å; L407-L631 HydrophobicContact CB-CG 4.24Å; L407-L631 HydrophobicContact CD1-CD1 4.28Å; L407-L631 HydrophobicContact CD1-CG 4.43Å; L407-T632 PolarHBondContact O-N 3.02Å; L407-T632 PolarHBondContact O-OG1 3.39Å
408	D	93.4	Very high	93.3	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.011	12%	0.124	C	C	.	.			trans	-103.7	151.7	176.6	-165	13.7	0	0	0	112	K51 S52 L55 F263 G264 A410 T632	K51-D408 WeakPolarHBondContact CE-OD1 3.44Å; K51-D408 IonicContact NZ-OD1 2.69Å; K51-D408 PolarHBondContact NZ-OD1 2.79Å; K51-D408 IonicContact NZ-OD2 2.61Å; K51-D408 PolarHBondContact NZ-OD2 3Å; S52-D408 WeakPolarHBondContact CB-OD2 3.37Å; S52-D408 PolarHBondContact OG-OD2 2.71Å; L55-D408 HydrophobicContact CD1-CB 4.27Å; F263-D408 HydrophobicContact CE1-CB 3.89Å; F263-D408 HydrophobicContact CZ-CB 4.25Å; G264-D408 PolarHBondContact O-N 2.81Å; D408-A410 PolarHBondContact O-N 2.82Å; D408-T632 CarbonylContact C-O 3.47Å; D408-T632 WeakPolarHBondContact CA-OG1 3.17Å; D408-T632 PolarHBondContact OD1-OG1 3.48Å
409	E	88.9	Confident	93.2	Very high	35 Å²	35	28.5 Å²	28.5	16%	0.164	15%	0.148	C	C	.	.	S	Bend	trans	57.5	29	-172.4	-66	-67.9	157.7	0	0	114.1	K51 H411 T632	K51-E409 WeakPolarHBondContact CE-OE1 3.3Å; K51-E409 IonicContact NZ-OE1 3.82Å; K51-E409 PolarHBondContact NZ-OE1 3.45Å; E409-H411 PolarHBondContact O-CE1 2.87Å; E409-H411 PolarHBondContact O-N 3.43Å; E409-H411 PolarHBondContact O-ND1 2.77Å; E409-H411 IonicContact OE2-CE1 3.26Å; E409-H411 PolarHBondContact OE2-CE1 2.69Å; E409-H411 IonicContact OE2-ND1 3.69Å; E409-H411 IonicContact OE2-NE2 2.64Å; E409-H411 PolarHBondContact OE2-NE2 2.75Å; E409-T632 PolarHBondContact N-O 2.66Å; E409-T632 VanDerWaalsContact N-O 3.08Å
410	A	90.1	Very high	93.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-78.9	29.6	-170.1	0	0	0	0	0	115.6	L407 D408 N412 I413 L631 T632 F642	L407-A410 HydrophobicContact CB-CB 4.17Å; D408-A410 PolarHBondContact O-N 2.82Å; A410-N412 VanDerWaalsContact C-N 3.3Å; A410-N412 PolarHBondContact O-N 3.41Å; A410-I413 HydrophobicContact CB-CB 4.12Å; A410-I413 HydrophobicContact CB-CG2 4.44Å; A410-I413 WeakPolarHBondContact O-CB 3.47Å; A410-I413 WeakPolarHBondContact O-CG2 3.33Å; A410-I413 PolarHBondContact O-N 3Å; A410-L631 HydrophobicContact CB-CD2 3.56Å; A410-L631 HydrophobicContact CB-CG 3.87Å; A410-T632 PolarHBondContact N-O 3.06Å; A410-T632 VanDerWaalsContact N-O 3.09Å; A410-F642 WeakPolarHBondContact O-CZ 3.46Å
411	H	85.7	Confident	93.4	Very high	9 Å²	9	23.8 Å²	23.8	4%	0.042	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-71.9	-20	-179.3	51.9	-101.3	0	0	0	114.3	E409 S633 T635	E409-H411 PolarHBondContact O-CE1 2.87Å; E409-H411 PolarHBondContact O-N 3.43Å; E409-H411 PolarHBondContact O-ND1 2.77Å; E409-H411 IonicContact OE2-CE1 3.26Å; E409-H411 PolarHBondContact OE2-CE1 2.69Å; E409-H411 IonicContact OE2-ND1 3.69Å; E409-H411 IonicContact OE2-NE2 2.64Å; E409-H411 PolarHBondContact OE2-NE2 2.75Å; H411-S633 WeakPolarHBondContact CE1-CB 3.3Å; H411-S633 PolarHBondContact CE1-OG 3.16Å; H411-S633 PolarHBondContact ND1-OG 3.34Å; H411-T635 WeakPolarHBondContact CB-OG1 3.38Å
412	N	87.8	Confident	93.6	Very high	23 Å²	23	17.9 Å²	17.9	12%	0.123	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	-107.6	15.8	175.2	70.3	-48	0	0	0	112.5	R266 Y384 A410 E414 D415 C416	R266-N412 WeakPolarHBondContact CD-OD1 3.43Å; R266-N412 VanDerWaalsContact CZ-ND2 3.35Å; R266-N412 PolarHBondContact NE-ND2 2.77Å; R266-N412 VanDerWaalsContact NE-ND2 3.1Å; Y384-N412 VanDerWaalsContact OH-CG 3.3Å; Y384-N412 PolarHBondContact OH-ND2 3.34Å; Y384-N412 PolarHBondContact OH-OD1 3.35Å; Y384-N412 VanDerWaalsContact OH-OD1 3.06Å; A410-N412 VanDerWaalsContact C-N 3.3Å; A410-N412 PolarHBondContact O-N 3.41Å; N412-E414 PolarHBondContact O-N 2.96Å; N412-D415 PolarHBondContact O-N 3.28Å; N412-D415 VanDerWaalsContact O-N 3.13Å; N412-C416 PolarHBondContact O-N 3.4Å; N412-C416 VanDerWaalsContact O-N 3.08Å
413	I	91.9	Very high	93.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-64.1	-29.7	179.3	-157.4	72.3	0	0	0	111.8	Y384 L388 L407 A410 A417 F619 L631 F642 L646	Y384-I413 HydrophobicContact CD1-CD1 3.87Å; Y384-I413 HydrophobicContact CD2-CD1 3.29Å; Y384-I413 HydrophobicContact CE1-CD1 4.08Å; Y384-I413 HydrophobicContact CE2-CD1 3.58Å; Y384-I413 HydrophobicContact CG-CD1 3.52Å; L388-I413 HydrophobicContact CD1-CD1 3.81Å; L388-I413 HydrophobicContact CD1-CG1 4.34Å; L407-I413 HydrophobicContact CD1-CD1 4.39Å; A410-I413 HydrophobicContact CB-CB 4.12Å; A410-I413 HydrophobicContact CB-CG2 4.44Å; A410-I413 WeakPolarHBondContact O-CB 3.47Å; A410-I413 WeakPolarHBondContact O-CG2 3.33Å; A410-I413 PolarHBondContact O-N 3Å; I413-A417 WeakPolarHBondContact O-CB 3.41Å; I413-A417 PolarHBondContact O-N 3.2Å; I413-F619 HydrophobicContact CG1-CE2 4Å; I413-F619 HydrophobicContact CG1-CZ 3.83Å; I413-L631 HydrophobicContact CG2-CD1 4.31Å; I413-F642 HydrophobicContact CG2-CE1 4.19Å; I413-F642 HydrophobicContact CG2-CE2 4.13Å; I413-F642 HydrophobicContact CG2-CZ 3.43Å; I413-F642 VanDerWaalsContact CG2-CZ 3.43Å; I413-L646 HydrophobicContact CG2-CD1 3.91Å; I413-L646 HydrophobicContact CG2-CD2 4.07Å
414	E	91.8	Very high	93.8	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.009	10%	0.101	C	C	.	.	H	α-helix	trans	-59.3	-43.9	171.5	-71.7	174.9	-164.4	0	0	111.7	N412 R418 P615 F642 E645 L646 R842	N412-E414 PolarHBondContact O-N 2.96Å; E414-R418 WeakPolarHBondContact O-CG 3.21Å; E414-R418 PolarHBondContact O-N 3.5Å; E414-P615 HydrophobicContact CB-CG 4.09Å; E414-P615 HydrophobicContact CG-CG 4.21Å; E414-P615 WeakPolarHBondContact O-CB 3.37Å; E414-F642 HydrophobicContact CG-CD2 4.43Å; E414-F642 HydrophobicContact CG-CE2 4.28Å; E414-F642 WeakPolarHBondContact OE1-CD2 3.37Å; E414-E645 HydrophobicContact CG-CB 4.34Å; E414-L646 HydrophobicContact CG-CD2 3.96Å; E414-R842 IonicContact OE1-CZ 2.66Å; E414-R842 IonicContact OE1-NH1 2.86Å; E414-R842 PolarHBondContact OE1-NH1 3.25Å; E414-R842 IonicContact OE1-NH2 3.74Å; E414-R842 PolarHBondContact OE1-NH2 2.92Å; E414-R842 IonicContact OE2-CZ 3.59Å; E414-R842 IonicContact OE2-NH1 3.87Å; E414-R842 PolarHBondContact OE2-NH1 2.84Å; E414-R842 IonicContact OE2-NH2 3.81Å
415	D	92.1	Very high	93.8	Very high	30 Å²	30	19.6 Å²	19.6	16%	0.16	10%	0.101	C	C	.	.	H	α-helix	trans	-73.4	-47	-178.5	-65.1	-38.4	0	0	0	110.4	N412 A417 R418 E419	N412-D415 PolarHBondContact O-N 3.28Å; N412-D415 VanDerWaalsContact O-N 3.13Å; D415-A417 VanDerWaalsContact C-N 3.32Å; D415-A417 PolarHBondContact O-N 3.02Å; D415-R418 WeakPolarHBondContact O-CB 3.41Å; D415-R418 PolarHBondContact O-N 3.37Å; D415-R418 VanDerWaalsContact O-N 3.14Å; D415-R418 IonicContact OD1-CZ 3.45Å; D415-R418 IonicContact OD1-NE 3.51Å; D415-R418 IonicContact OD1-NH2 3.7Å; D415-R418 PolarHBondContact OD1-NH2 3.19Å; D415-E419 WeakPolarHBondContact O-CG 3.48Å; D415-E419 PolarHBondContact O-N 3.47Å
416	C	93.4	Very high	93.7	Very high	14 Å²	14	23.2 Å²	23.2	10%	0.095	12%	0.118	C	C	.	.	H	α-helix	trans	-67.5	-30.3	-179.9	-165.5	0	0	0	0	113.3	Y384 L388 N412 E419 S420	Y384-C416 HydrophobicContact CE2-CB 3.7Å; L388-C416 HydrophobicContact CD1-CB 4.38Å; N412-C416 PolarHBondContact O-N 3.4Å; N412-C416 VanDerWaalsContact O-N 3.08Å; C416-E419 WeakPolarHBondContact CA-OE2 3.42Å; C416-E419 PolarHBondContact O-N 3.02Å; C416-S420 VanDerWaalsContact O-CB 3.27Å; C416-S420 WeakPolarHBondContact O-CB 3.5Å; C416-S420 PolarHBondContact O-N 3.5Å; C416-S420 PolarHBondContact O-OG 3.29Å
417	A	95.2	Very high	93.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-69.9	-36.4	172.6	0	0	0	0	0	112.3	L388 I413 D415 A421 P615 A618 F619	L388-A417 HydrophobicContact CD1-CB 4.11Å; L388-A417 HydrophobicContact CD2-CB 4.32Å; I413-A417 WeakPolarHBondContact O-CB 3.41Å; I413-A417 PolarHBondContact O-N 3.2Å; D415-A417 VanDerWaalsContact C-N 3.32Å; D415-A417 PolarHBondContact O-N 3.02Å; A417-A421 PolarHBondContact O-N 3.18Å; A417-P615 HydrophobicContact CB-CB 3.62Å; A417-A618 HydrophobicContact CB-CB 4.13Å; A417-A618 WeakPolarHBondContact O-CB 3.41Å; A417-F619 HydrophobicContact CB-CD2 3.91Å; A417-F619 HydrophobicContact CB-CE2 3.88Å
418	R	95.8	Very high	93.5	Very high	27 Å²	27	25.5 Å²	25.5	10%	0.102	13%	0.132	C	C	.	.	H	α-helix	trans	-66	-43.6	170.3	-71.4	-176.8	-48.9	99.2	-2.3	111.5	E414 D415 A421 S422 C612 P615	E414-R418 WeakPolarHBondContact O-CG 3.21Å; E414-R418 PolarHBondContact O-N 3.5Å; D415-R418 WeakPolarHBondContact O-CB 3.41Å; D415-R418 PolarHBondContact O-N 3.37Å; D415-R418 VanDerWaalsContact O-N 3.14Å; D415-R418 IonicContact OD1-CZ 3.45Å; D415-R418 IonicContact OD1-NE 3.51Å; D415-R418 IonicContact OD1-NH2 3.7Å; D415-R418 PolarHBondContact OD1-NH2 3.19Å; R418-A421 CarbonylContact O-C 3.6Å; R418-A421 PolarHBondContact O-N 2.9Å; R418-S422 WeakPolarHBondContact O-CB 3.39Å; R418-S422 PolarHBondContact O-N 3.25Å; R418-S422 VanDerWaalsContact O-N 3.12Å; R418-S422 PolarHBondContact O-OG 3.15Å; R418-C612 WeakPolarHBondContact CB-O 3.41Å; R418-C612 WeakPolarHBondContact CG-O 3.41Å; R418-P615 HydrophobicContact CG-CB 4.15Å; R418-P615 HydrophobicContact CG-CG 4.34Å
419	E	94.5	Very high	93.5	Very high	126 Å²	126	26.4 Å²	26.4	59%	0.589	14%	0.142	S	C	*	.	H	α-helix	trans	-59.8	-46.8	175.5	-70.7	164.7	176.8	0	0	111.5	D415 C416 A421 S422	D415-E419 WeakPolarHBondContact O-CG 3.48Å; D415-E419 PolarHBondContact O-N 3.47Å; C416-E419 WeakPolarHBondContact CA-OE2 3.42Å; C416-E419 PolarHBondContact O-N 3.02Å; E419-A421 PolarHBondContact O-N 3.25Å; E419-A421 VanDerWaalsContact O-N 3.14Å; E419-S422 PolarHBondContact O-N 2.91Å
420	S	94.9	Very high	93.9	Very high	10 Å²	10	24.8 Å²	24.8	7%	0.07	13%	0.134	C	C	.	.	H	α-helix	trans	-64.5	-15.5	179.4	-57.1	0	0	0	0	114.2	C416	C416-S420 VanDerWaalsContact O-CB 3.27Å; C416-S420 WeakPolarHBondContact O-CB 3.5Å; C416-S420 PolarHBondContact O-N 3.5Å; C416-S420 PolarHBondContact O-OG 3.29Å
421	A	95.8	Very high	94.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	5.9	174.5	0	0	0	0	0	113	A417 R418 E419 F551 Y563 C612 V617 A618	A417-A421 PolarHBondContact O-N 3.18Å; R418-A421 CarbonylContact O-C 3.6Å; R418-A421 PolarHBondContact O-N 2.9Å; E419-A421 PolarHBondContact O-N 3.25Å; E419-A421 VanDerWaalsContact O-N 3.14Å; A421-F551 HydrophobicContact CB-CD2 4.23Å; A421-F551 HydrophobicContact CB-CE2 3.97Å; A421-F551 HydrophobicContact CB-CZ 4.47Å; A421-Y563 VanDerWaalsContact O-CE1 3.27Å; A421-Y563 WeakPolarHBondContact O-CE1 3.38Å; A421-Y563 PolarHBondContact O-OH 3.47Å; A421-C612 HydrophobicContact CB-CB 3.96Å; A421-V617 HydrophobicContact CB-CB 4.45Å; A421-V617 HydrophobicContact CB-CG1 4.11Å; A421-A618 HydrophobicContact CB-CB 4.22Å
422	S	97.3	Very high	94.7	Very high	21 Å²	21	34.3 Å²	34.3	15%	0.147	18%	0.181	C	C	.	.			trans	-107.1	160.4	179.2	-62.8	0	0	0	0	111.5	R418 E419 F610 C612	R418-S422 WeakPolarHBondContact O-CB 3.39Å; R418-S422 PolarHBondContact O-N 3.25Å; R418-S422 VanDerWaalsContact O-N 3.12Å; R418-S422 PolarHBondContact O-OG 3.15Å; E419-S422 PolarHBondContact O-N 2.91Å; S422-F610 VanDerWaalsContact CA-O 3.25Å; S422-F610 WeakPolarHBondContact CA-O 3.28Å; S422-F610 VanDerWaalsContact CB-O 3.28Å; S422-F610 WeakPolarHBondContact CB-O 3.47Å; S422-C612 PolarHBondContact OG-N 2.61Å
423	Y	97.5	Very high	95.1	Very high	33 Å²	33	33.3 Å²	33.3	13%	0.129	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	140	170.7	-178.6	-134.1	0	0	0	111.6	L425 N544 L545 F610	Y423-L425 HydrophobicContact CD1-CB 4.42Å; Y423-L425 HydrophobicContact CE1-CB 3.86Å; Y423-L425 HydrophobicContact CE1-CD1 4.18Å; Y423-L425 HydrophobicContact CE1-CG 4.43Å; Y423-N544 HydrophobicContact CD1-CB 3.83Å; Y423-N544 HydrophobicContact CD2-CB 3.47Å; Y423-N544 VanDerWaalsContact CD2-CB 3.47Å; Y423-N544 HydrophobicContact CE1-CB 3.81Å; Y423-N544 HydrophobicContact CE2-CB 3.48Å; Y423-N544 VanDerWaalsContact CE2-CB 3.48Å; Y423-N544 HydrophobicContact CG-CB 3.67Å; Y423-L545 HydrophobicContact CD1-CB 4.45Å; Y423-L545 HydrophobicContact CE1-CB 4.24Å; Y423-F610 PolarHBondContact N-O 2.83Å; Y423-F610 PolarHBondContact O-N 3.39Å
424	T	96.9	Very high	95.3	Very high	70 Å²	70	35.1 Å²	35.1	43%	0.429	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.6	171.1	-68	0	0	0	0	109.5	T607 S609	T424-T607 HydrophobicContact CG2-CG2 4.22Å; T424-S609 WeakPolarHBondContact CG2-OG 3.45Å; T424-S609 WeakPolarHBondContact OG1-CB 3.43Å; T424-S609 PolarHBondContact OG1-OG 3.35Å
425	L	96.4	Very high	95.6	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.016	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	120.5	-176.5	178.1	56.9	0	0	0	110	Y423 L430 L460 V541 L545 T607 L608	Y423-L425 HydrophobicContact CD1-CB 4.42Å; Y423-L425 HydrophobicContact CE1-CB 3.86Å; Y423-L425 HydrophobicContact CE1-CD1 4.18Å; Y423-L425 HydrophobicContact CE1-CG 4.43Å; L425-L430 HydrophobicContact CD1-CB 4.15Å; L425-L430 HydrophobicContact CD2-CB 4.19Å; L425-L430 HydrophobicContact CD2-CD1 4.23Å; L425-L430 HydrophobicContact CD2-CD2 4.04Å; L425-L430 HydrophobicContact CD2-CG 4.37Å; L425-L430 HydrophobicContact CG-CB 4.29Å; L425-L460 HydrophobicContact CD2-CD2 4.31Å; L425-V541 HydrophobicContact CD1-CG1 3.79Å; L425-L545 HydrophobicContact CD2-CD2 4.44Å; L425-T607 CarbonylContact O-C 3.48Å; L425-T607 VanDerWaalsContact O-CA 3.31Å; L425-T607 WeakPolarHBondContact O-CA 3.42Å; L425-L608 PolarHBondContact N-O 3.41Å; L425-L608 PolarHBondContact O-N 2.73Å
426	E	95.3	Very high	95.7	Very high	78 Å²	78	40.2 Å²	40.2	36%	0.364	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	137	167.1	-166.1	-173.8	138.8	0	0	109.6	S428 G429 L430 V605	E426-S428 PolarHBondContact O-N 2.92Å; E426-S428 WeakPolarHBondContact OE1-CB 3.26Å; E426-S428 PolarHBondContact OE1-OG 2.87Å; E426-G429 PolarHBondContact O-N 3.23Å; E426-G429 VanDerWaalsContact O-N 3.1Å; E426-L430 PolarHBondContact O-N 2.87Å; E426-V605 HydrophobicContact CG-CG1 3.8Å
427	L	95.1	Very high	95.8	Very high	22 Å²	22	39.6 Å²	39.6	12%	0.115	21%	0.205	C	C	.	.	H	α-helix	trans	-55.6	-35.3	179.7	178.4	60.1	0	0	0	112.6	G429 L430 Q431 I461 I464 L606	L427-G429 PolarHBondContact O-N 2.68Å; L427-L430 PolarHBondContact O-N 2.95Å; L427-Q431 HydrophobicContact CD1-CG 4.34Å; L427-Q431 HydrophobicContact CG-CG 4.41Å; L427-Q431 WeakPolarHBondContact O-CG 3.26Å; L427-Q431 PolarHBondContact O-N 2.96Å; L427-I461 HydrophobicContact CD1-CG1 4.11Å; L427-I461 HydrophobicContact CD1-CG2 4.32Å; L427-I464 HydrophobicContact CD1-CD1 4.47Å; L427-I464 HydrophobicContact CD1-CG2 4.08Å; L427-I464 HydrophobicContact CD2-CG2 4.35Å; L427-L606 HydrophobicContact CD2-CD2 3.92Å; L427-L606 PolarHBondContact N-O 3.49Å; L427-L606 VanDerWaalsContact N-O 3.15Å
428	S	93.5	Very high	95.8	Very high	31 Å²	31	40.8 Å²	40.8	22%	0.217	21%	0.211	C	C	.	.	H	α-helix	trans	-62.6	-39.2	178.6	66.8	0	0	0	0	113	E426 Q431 M432	E426-S428 PolarHBondContact O-N 2.92Å; E426-S428 WeakPolarHBondContact OE1-CB 3.26Å; E426-S428 PolarHBondContact OE1-OG 2.87Å; S428-Q431 PolarHBondContact O-N 3.46Å; S428-M432 WeakPolarHBondContact O-CG 3.16Å; S428-M432 PolarHBondContact O-N 2.98Å
429	G	94.3	Very high	95.7	Very high	21 Å²	21	41.2 Å²	41.2	22%	0.216	22%	0.224	C	C	.	.	H	α-helix	trans	-69.8	-32.4	176.6	0	0	0	0	0	112.8	E426 L427 T433	E426-G429 PolarHBondContact O-N 3.23Å; E426-G429 VanDerWaalsContact O-N 3.1Å; L427-G429 PolarHBondContact O-N 2.68Å; G429-T433 VanDerWaalsContact O-CB 3.3Å; G429-T433 WeakPolarHBondContact O-CB 3.24Å; G429-T433 PolarHBondContact O-N 3.18Å; G429-T433 PolarHBondContact O-OG1 3.25Å
430	L	96.4	Very high	95.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-71.2	-38	172.4	-174.3	60.3	0	0	0	111.9	L425 E426 L427 T433 K434 C457 L460 I461 I464	L425-L430 HydrophobicContact CD1-CB 4.15Å; L425-L430 HydrophobicContact CD2-CB 4.19Å; L425-L430 HydrophobicContact CD2-CD1 4.23Å; L425-L430 HydrophobicContact CD2-CD2 4.04Å; L425-L430 HydrophobicContact CD2-CG 4.37Å; L425-L430 HydrophobicContact CG-CB 4.29Å; E426-L430 PolarHBondContact O-N 2.87Å; L427-L430 PolarHBondContact O-N 2.95Å; L430-T433 WeakPolarHBondContact O-CB 3.46Å; L430-T433 PolarHBondContact O-N 3.47Å; L430-K434 WeakPolarHBondContact O-CB 3.22Å; L430-K434 PolarHBondContact O-N 2.77Å; L430-C457 HydrophobicContact CD1-CB 3.88Å; L430-L460 HydrophobicContact CD1-CD2 4.43Å; L430-L460 HydrophobicContact CD2-CB 4.18Å; L430-L460 HydrophobicContact CD2-CD2 3.81Å; L430-L460 HydrophobicContact CD2-CG 3.85Å; L430-I461 HydrophobicContact CB-CG1 4.49Å; L430-I461 HydrophobicContact CD2-CG1 3.61Å; L430-I461 HydrophobicContact CG-CD1 4.11Å; L430-I461 HydrophobicContact CG-CG1 3.73Å; L430-I464 HydrophobicContact CD2-CD1 3.89Å
431	Q	96.6	Very high	95.5	Very high	73 Å²	73	36 Å²	36	34%	0.341	20%	0.199	S	C	.	.	H	α-helix	trans	-62.3	-52.4	173.9	-73.5	170.1	-35.4	0	0	111.2	L427 S428 T433 K434 D435 I461	L427-Q431 HydrophobicContact CD1-CG 4.34Å; L427-Q431 HydrophobicContact CG-CG 4.41Å; L427-Q431 WeakPolarHBondContact O-CG 3.26Å; L427-Q431 PolarHBondContact O-N 2.96Å; S428-Q431 PolarHBondContact O-N 3.46Å; Q431-T433 VanDerWaalsContact C-N 3.26Å; Q431-T433 PolarHBondContact O-N 2.92Å; Q431-K434 PolarHBondContact O-N 2.84Å; Q431-D435 PolarHBondContact O-N 2.76Å; Q431-I461 HydrophobicContact CG-CD1 4.07Å
432	M	96.2	Very high	95.3	Very high	136 Å²	136	42.6 Å²	42.6	67%	0.67	23%	0.23	S	C	*	.	H	α-helix	trans	-56.4	-40	175.1	-68.3	176.3	-175.4	0	0	112.6	S428 D435 E436	S428-M432 WeakPolarHBondContact O-CG 3.16Å; S428-M432 PolarHBondContact O-N 2.98Å; M432-D435 PolarHBondContact O-N 2.93Å; M432-E436 PolarHBondContact O-N 3.33Å
433	T	96.7	Very high	95	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.012	25%	0.251	C	S	.	.	H	α-helix	trans	-59.8	-49	173.4	-70.5	0	0	0	0	111.6	G429 L430 Q431 D435 L437 T538 V541 L542	G429-T433 VanDerWaalsContact O-CB 3.3Å; G429-T433 WeakPolarHBondContact O-CB 3.24Å; G429-T433 PolarHBondContact O-N 3.18Å; G429-T433 PolarHBondContact O-OG1 3.25Å; L430-T433 WeakPolarHBondContact O-CB 3.46Å; L430-T433 PolarHBondContact O-N 3.47Å; Q431-T433 VanDerWaalsContact C-N 3.26Å; Q431-T433 PolarHBondContact O-N 2.92Å; T433-D435 PolarHBondContact O-N 2.89Å; T433-L437 HydrophobicContact CG2-CD1 3.95Å; T433-L437 WeakPolarHBondContact O-CB 3.21Å; T433-L437 WeakPolarHBondContact O-CD1 3.46Å; T433-L437 WeakPolarHBondContact O-CG 3.13Å; T433-L437 PolarHBondContact O-N 3.12Å; T433-L437 VanDerWaalsContact O-N 3.11Å; T433-T538 HydrophobicContact CG2-CG2 3.78Å; T433-V541 HydrophobicContact CG2-CG1 4.37Å; T433-L542 HydrophobicContact CG2-CD2 4.01Å; T433-L542 HydrophobicContact CG2-CG 4.1Å
434	K	96.6	Very high	94.5	Very high	38 Å²	38	48.7 Å²	48.7	17%	0.165	27%	0.27	C	S	.	.	H	α-helix	trans	-62.5	-40.9	178.3	168.2	-91.8	171.4	-133	0	111.8	L430 Q431 L437 D438 R454 C457 I461	L430-K434 WeakPolarHBondContact O-CB 3.22Å; L430-K434 PolarHBondContact O-N 2.77Å; Q431-K434 PolarHBondContact O-N 2.84Å; K434-L437 PolarHBondContact O-N 2.94Å; K434-D438 VanDerWaalsContact CE-OD2 3.23Å; K434-D438 WeakPolarHBondContact CE-OD2 3.4Å; K434-D438 IonicContact NZ-OD2 3.44Å; K434-D438 PolarHBondContact NZ-OD2 2.91Å; K434-D438 PolarHBondContact O-N 3.38Å; K434-R454 HydrophobicContact CG-CG 4.45Å; K434-C457 HydrophobicContact CB-CB 4.02Å; K434-I461 HydrophobicContact CB-CD1 3.79Å; K434-I461 HydrophobicContact CD-CD1 4.39Å; K434-I461 HydrophobicContact CG-CD1 4.03Å
435	D	96.5	Very high	93.9	Very high	90 Å²	90	46.8 Å²	46.8	48%	0.481	26%	0.256	S	S	.	.	H	α-helix	trans	-73	-35.9	-176.5	-68.8	-36.6	0	0	0	112.2	Q431 M432 T433 D438 G439	Q431-D435 PolarHBondContact O-N 2.76Å; M432-D435 PolarHBondContact O-N 2.93Å; T433-D435 PolarHBondContact O-N 2.89Å; D435-D438 PolarHBondContact O-N 3.15Å; D435-G439 PolarHBondContact O-N 3.2Å
436	E	95.4	Very high	93.5	Very high	50 Å²	50	47.5 Å²	47.5	23%	0.234	26%	0.259	C	S	.	.	H	α-helix	trans	-65.6	-42.5	170.7	-177.2	174.3	-160.3	0	0	111.9	M432 D438 G439 M440 I534 S535 T538	M432-E436 PolarHBondContact O-N 3.33Å; E436-D438 VanDerWaalsContact C-N 3.31Å; E436-D438 PolarHBondContact O-N 3.21Å; E436-G439 PolarHBondContact O-N 3.13Å; E436-G439 VanDerWaalsContact O-N 3.15Å; E436-M440 PolarHBondContact O-N 2.99Å; E436-I534 HydrophobicContact CG-CG2 4.49Å; E436-S535 VanDerWaalsContact OE1-CB 3.3Å; E436-S535 WeakPolarHBondContact OE1-CB 3.13Å; E436-S535 PolarHBondContact OE1-N 2.8Å; E436-S535 VanDerWaalsContact OE2-CB 3.25Å; E436-S535 WeakPolarHBondContact OE2-CB 3.44Å; E436-S535 PolarHBondContact OE2-N 3.06Å; E436-S535 PolarHBondContact OE2-OG 3.11Å; E436-T538 WeakPolarHBondContact OE2-CB 3.41Å; E436-T538 PolarHBondContact OE2-OG1 2.85Å
437	L	95.3	Very high	93.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.2	-37.1	175.6	-69.1	168.7	0	0	0	111.8	T433 K434 M440 V441 L453 R454 I534 T538 L542	T433-L437 HydrophobicContact CG2-CD1 3.95Å; T433-L437 WeakPolarHBondContact O-CB 3.21Å; T433-L437 WeakPolarHBondContact O-CD1 3.46Å; T433-L437 WeakPolarHBondContact O-CG 3.13Å; T433-L437 PolarHBondContact O-N 3.12Å; T433-L437 VanDerWaalsContact O-N 3.11Å; K434-L437 PolarHBondContact O-N 2.94Å; L437-M440 PolarHBondContact O-N 3.04Å; L437-V441 WeakPolarHBondContact O-CG2 3.24Å; L437-V441 PolarHBondContact O-N 3.11Å; L437-V441 VanDerWaalsContact O-N 3.11Å; L437-L453 HydrophobicContact CD1-CB 4.02Å; L437-L453 HydrophobicContact CD2-CB 4.21Å; L437-L453 HydrophobicContact CD2-CD1 4.45Å; L437-R454 HydrophobicContact CB-CB 3.94Å; L437-R454 HydrophobicContact CB-CG 4.39Å; L437-I534 HydrophobicContact CD2-CG2 4Å; L437-T538 HydrophobicContact CG-CG2 4.5Å; L437-L542 HydrophobicContact CD1-CD1 4.35Å; L437-L542 HydrophobicContact CD2-CD1 4.49Å
438	D	95.1	Very high	92.9	Very high	25 Å²	25	53 Å²	53	13%	0.134	29%	0.289	C	S	.	.	H	α-helix	trans	-62	-45.7	169.9	-106.2	-42.3	0	0	0	111.8	K434 D435 E436 M440 V441 H442 R454	K434-D438 VanDerWaalsContact CE-OD2 3.23Å; K434-D438 WeakPolarHBondContact CE-OD2 3.4Å; K434-D438 IonicContact NZ-OD2 3.44Å; K434-D438 PolarHBondContact NZ-OD2 2.91Å; K434-D438 PolarHBondContact O-N 3.38Å; D435-D438 PolarHBondContact O-N 3.15Å; E436-D438 VanDerWaalsContact C-N 3.31Å; E436-D438 PolarHBondContact O-N 3.21Å; D438-M440 VanDerWaalsContact C-N 3.31Å; D438-M440 PolarHBondContact O-N 3.4Å; D438-V441 PolarHBondContact O-N 3.4Å; D438-V441 VanDerWaalsContact O-N 3.07Å; D438-H442 PolarHBondContact O-N 2.86Å; D438-H442 PolarHBondContact O-ND1 3.15Å; D438-H442 IonicContact OD1-CE1 2.75Å; D438-H442 PolarHBondContact OD1-CE1 2.9Å; D438-H442 IonicContact OD1-ND1 3.33Å; D438-R454 WeakPolarHBondContact OD1-CD 3.36Å; D438-R454 IonicContact OD1-CZ 3.23Å; D438-R454 IonicContact OD1-NE 2.7Å; D438-R454 IonicContact OD1-NH1 3.45Å; D438-R454 PolarHBondContact OD1-NH1 3.07Å; D438-R454 WeakPolarHBondContact OD2-CD 3.45Å
439	G	93.4	Very high	92.8	Very high	36 Å²	36	54.3 Å²	54.3	37%	0.371	29%	0.29	S	S	.	.	H	α-helix	trans	-53.5	-47.7	176.2	0	0	0	0	0	112.2	D435 E436 V441 H442 S443	D435-G439 PolarHBondContact O-N 3.2Å; E436-G439 PolarHBondContact O-N 3.13Å; E436-G439 VanDerWaalsContact O-N 3.15Å; G439-V441 VanDerWaalsContact C-N 3.35Å; G439-V441 PolarHBondContact O-N 2.79Å; G439-H442 PolarHBondContact O-N 3.02Å; G439-S443 PolarHBondContact O-N 3.42Å; G439-S443 PolarHBondContact O-OG 2.88Å
440	M	92.3	Very high	92.8	Very high	21 Å²	21	53.3 Å²	53.3	10%	0.103	28%	0.28	C	S	.	.	H	α-helix	trans	-61.2	-39.5	175.9	-63.8	-64.7	-178.6	0	0	112.9	E436 L437 D438 N444 I445 H450 P532 I533 I534	E436-M440 PolarHBondContact O-N 2.99Å; L437-M440 PolarHBondContact O-N 3.04Å; D438-M440 VanDerWaalsContact C-N 3.31Å; D438-M440 PolarHBondContact O-N 3.4Å; M440-N444 PolarHBondContact O-N 3.35Å; M440-I445 PolarHBondContact O-N 3.29Å; M440-I445 HydrophobicContact SD-CB 4.37Å; M440-I445 HydrophobicContact SD-CD1 3.82Å; M440-I445 HydrophobicContact SD-CG2 4.33Å; M440-H450 HydrophobicContact CB-CB 4.36Å; M440-P532 HydrophobicContact CE-CB 4.34Å; M440-P532 HydrophobicContact SD-CB 4.39Å; M440-I533 WeakPolarHBondContact CE-O 3.46Å; M440-I534 HydrophobicContact CE-CG2 4.3Å; M440-I534 HydrophobicContact CG-CG2 4.32Å
441	V	92.4	Very high	92.7	Very high	7 Å²	7	56 Å²	56	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-65.7	-44.6	176.4	166.8	0	0	0	0	111.7	L437 D438 G439 S443 N444 R447 H450 E451	L437-V441 WeakPolarHBondContact O-CG2 3.24Å; L437-V441 PolarHBondContact O-N 3.11Å; L437-V441 VanDerWaalsContact O-N 3.11Å; D438-V441 PolarHBondContact O-N 3.4Å; D438-V441 VanDerWaalsContact O-N 3.07Å; G439-V441 VanDerWaalsContact C-N 3.35Å; G439-V441 PolarHBondContact O-N 2.79Å; V441-S443 PolarHBondContact O-N 2.97Å; V441-N444 WeakPolarHBondContact O-CA 3.45Å; V441-N444 PolarHBondContact O-N 3.31Å; V441-R447 HydrophobicContact CG1-CG 4.28Å; V441-H450 HydrophobicContact CG2-CB 3.71Å; V441-E451 HydrophobicContact CG2-CB 4.11Å
442	H	92.6	Very high	92.5	Very high	138 Å²	138	54.2 Å²	54.2	64%	0.639	29%	0.289	S	S	*	.	H	α-helix	trans	-66	-36.5	178.6	-71.5	85.3	0	0	0	111.9	D438 G439 N444	D438-H442 PolarHBondContact O-N 2.86Å; D438-H442 PolarHBondContact O-ND1 3.15Å; D438-H442 IonicContact OD1-CE1 2.75Å; D438-H442 PolarHBondContact OD1-CE1 2.9Å; D438-H442 IonicContact OD1-ND1 3.33Å; G439-H442 PolarHBondContact O-N 3.02Å; H442-N444 PolarHBondContact O-N 2.99Å; H442-N444 PolarHBondContact O-ND2 3.07Å
443	S	90.1	Very high	92.4	Very high	83 Å²	83	47.8 Å²	47.8	58%	0.58	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	4.1	169.7	-59.3	0	0	0	0	114.2	G439 V441 I445	G439-S443 PolarHBondContact O-N 3.42Å; G439-S443 PolarHBondContact O-OG 2.88Å; V441-S443 PolarHBondContact O-N 2.97Å; S443-I445 PolarHBondContact O-N 2.83Å; S443-I445 VanDerWaalsContact O-N 3.1Å
444	N	87.4	Confident	92.3	Very high	99 Å²	99	49.5 Å²	49.5	53%	0.529	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	17.6	-175.6	-65.8	-81.2	0	0	0	115.3	M440 V441 H442 R446 R447	M440-N444 PolarHBondContact O-N 3.35Å; V441-N444 WeakPolarHBondContact O-CA 3.45Å; V441-N444 PolarHBondContact O-N 3.31Å; H442-N444 PolarHBondContact O-N 2.99Å; H442-N444 PolarHBondContact O-ND2 3.07Å; N444-R446 PolarHBondContact O-N 3.12Å; N444-R447 WeakPolarHBondContact OD1-CD 3.37Å; N444-R447 PolarHBondContact OD1-NH1 3.12Å; N444-R447 VanDerWaalsContact OD1-NH1 3.15Å
445	I	85.1	Confident	92.2	Very high	29 Å²	29	51.4 Å²	51.4	15%	0.149	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	116	-179.6	-60.9	169.4	0	0	0	108.2	M440 S443 R447 H450 V531 P532	M440-I445 PolarHBondContact O-N 3.29Å; M440-I445 HydrophobicContact SD-CB 4.37Å; M440-I445 HydrophobicContact SD-CD1 3.82Å; M440-I445 HydrophobicContact SD-CG2 4.33Å; S443-I445 PolarHBondContact O-N 2.83Å; S443-I445 VanDerWaalsContact O-N 3.1Å; I445-R447 PolarHBondContact O-N 2.8Å; I445-H450 PolarHBondContact O-CE1 2.78Å; I445-H450 PolarHBondContact O-ND1 2.74Å; I445-V531 HydrophobicContact CG2-CG1 3.8Å; I445-P532 HydrophobicContact CD1-CB 3.97Å; I445-P532 HydrophobicContact CD1-CG 3.81Å
446	R	87.1	Confident	92.1	Very high	19 Å²	19	47.5 Å²	47.5	7%	0.072	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	42.4	38.8	-177.7	-59.6	-173.7	-175.5	141.2	12.5	113.3	N444 S448 K449 H450 S511 V512 E514 E516	N444-R446 PolarHBondContact O-N 3.12Å; R446-S448 PolarHBondContact O-N 2.88Å; R446-S448 VanDerWaalsContact O-N 3.12Å; R446-K449 HydrophobicContact CB-CB 4.47Å; R446-K449 WeakPolarHBondContact O-CB 3.28Å; R446-K449 PolarHBondContact O-N 3.42Å; R446-H450 PolarHBondContact O-N 2.85Å; R446-S511 WeakPolarHBondContact CD-O 3.15Å; R446-S511 PolarHBondContact NH1-O 3.42Å; R446-V512 PolarHBondContact NH1-O 3.37Å; R446-E514 VanDerWaalsContact CZ-O 3.23Å; R446-E514 PolarHBondContact NH1-O 3.21Å; R446-E514 PolarHBondContact NH2-O 3.01Å; R446-E516 IonicContact CZ-OE2 3.54Å; R446-E516 VanDerWaalsContact CZ-OE2 3.25Å; R446-E516 IonicContact NE-OE1 3.71Å; R446-E516 IonicContact NE-OE2 3.54Å; R446-E516 PolarHBondContact NE-OE2 3Å; R446-E516 IonicContact NH2-OE2 2.83Å; R446-E516 PolarHBondContact NH2-OE2 3.22Å
447	R	89.1	Confident	92.1	Very high	124 Å²	124	45.1 Å²	45.1	47%	0.468	24%	0.242	S	C	.	.	H	α-helix	trans	-41.8	-55.9	-160.2	175.9	166.8	167.5	175.4	-2	115.2	V441 N444 I445 K449 H450 E451	V441-R447 HydrophobicContact CG1-CG 4.28Å; N444-R447 WeakPolarHBondContact OD1-CD 3.37Å; N444-R447 PolarHBondContact OD1-NH1 3.12Å; N444-R447 VanDerWaalsContact OD1-NH1 3.15Å; I445-R447 PolarHBondContact O-N 2.8Å; R447-K449 PolarHBondContact O-N 3.36Å; R447-H450 PolarHBondContact O-N 2.85Å; R447-E451 IonicContact NE-OE2 3.43Å; R447-E451 WeakPolarHBondContact O-CB 3.35Å; R447-E451 PolarHBondContact O-N 2.96Å
448	S	89.8	Confident	92.1	Very high	91 Å²	91	50.9 Å²	50.9	64%	0.636	27%	0.265	S	S	*	.	H	α-helix	trans	-58.7	-32	-178.1	51	0	0	0	0	114.1	R446 S452	R446-S448 PolarHBondContact O-N 2.88Å; R446-S448 VanDerWaalsContact O-N 3.12Å; S448-S452 PolarHBondContact O-N 2.66Å
449	K	90.8	Very high	92.1	Very high	58 Å²	58	50.9 Å²	50.9	25%	0.252	27%	0.269	S	S	.	.	H	α-helix	trans	-76.1	-43.8	179.3	-49.1	-163.8	-176.9	-178.3	0	111.2	R446 R447 N508 S511 V512	R446-K449 HydrophobicContact CB-CB 4.47Å; R446-K449 WeakPolarHBondContact O-CB 3.28Å; R446-K449 PolarHBondContact O-N 3.42Å; R447-K449 PolarHBondContact O-N 3.36Å; K449-N508 HydrophobicContact CB-CB 4.2Å; K449-S511 PolarHBondContact NZ-OG 2.8Å; K449-V512 HydrophobicContact CB-CG2 4.02Å
450	H	93.4	Very high	92.2	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-69.2	-37.7	174.7	-72.5	122	0	0	0	112.8	M440 V441 I445 R446 R447 S452 L453 R454 V512	M440-H450 HydrophobicContact CB-CB 4.36Å; V441-H450 HydrophobicContact CG2-CB 3.71Å; I445-H450 PolarHBondContact O-CE1 2.78Å; I445-H450 PolarHBondContact O-ND1 2.74Å; R446-H450 PolarHBondContact O-N 2.85Å; R447-H450 PolarHBondContact O-N 2.85Å; H450-S452 VanDerWaalsContact C-N 3.35Å; H450-S452 PolarHBondContact O-N 3.2Å; H450-L453 PolarHBondContact O-N 3.42Å; H450-L453 VanDerWaalsContact O-N 3.12Å; H450-R454 WeakPolarHBondContact O-CB 3.09Å; H450-R454 PolarHBondContact O-N 3Å; H450-V512 VanDerWaalsContact CD2-CG2 3.5Å; H450-V512 WeakPolarHBondContact CD2-CG2 3.27Å; H450-V512 VanDerWaalsContact NE2-CG1 3.3Å; H450-V512 WeakPolarHBondContact NE2-CG1 3.2Å
451	E	93.9	Very high	92.4	Very high	55 Å²	55	48.7 Å²	48.7	26%	0.257	25%	0.249	S	C	.	.	H	α-helix	trans	-60.4	-41.8	179.5	-179.9	140.3	-125.7	0	0	111.9	V441 R447 L453 R454 N455	V441-E451 HydrophobicContact CG2-CB 4.11Å; R447-E451 IonicContact NE-OE2 3.43Å; R447-E451 WeakPolarHBondContact O-CB 3.35Å; R447-E451 PolarHBondContact O-N 2.96Å; E451-L453 PolarHBondContact O-N 3.16Å; E451-R454 PolarHBondContact O-N 3.07Å; E451-R454 IonicContact OE1-CZ 3.63Å; E451-R454 IonicContact OE1-NH2 3.56Å; E451-R454 PolarHBondContact OE1-NH2 2.8Å; E451-N455 VanDerWaalsContact O-CB 3.3Å; E451-N455 WeakPolarHBondContact O-CB 3.38Å; E451-N455 PolarHBondContact O-N 3.44Å; E451-N455 PolarHBondContact O-ND2 3.19Å; E451-N455 PolarHBondContact O-OD1 3.13Å; E451-N455 VanDerWaalsContact O-OD1 3.13Å
452	S	92.7	Very high	92.6	Very high	37 Å²	37	50.3 Å²	50.3	26%	0.259	26%	0.257	S	S	.	.	H	α-helix	trans	-57.6	-44.9	171.8	170.8	0	0	0	0	112.8	S448 H450 F456 N508	S448-S452 PolarHBondContact O-N 2.66Å; H450-S452 VanDerWaalsContact C-N 3.35Å; H450-S452 PolarHBondContact O-N 3.2Å; S452-F456 PolarHBondContact O-N 2.8Å; S452-N508 VanDerWaalsContact CB-ND2 3.29Å; S452-N508 WeakPolarHBondContact CB-ND2 3.48Å; S452-N508 PolarHBondContact OG-ND2 3.21Å; S452-N508 VanDerWaalsContact OG-ND2 3.15Å
453	L	94.3	Very high	92.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-71.4	-43.6	-179.7	-59.9	174.1	0	0	0	111.7	L437 H450 E451 N455 F456 C457 L509 V512 F546	L437-L453 HydrophobicContact CD1-CB 4.02Å; L437-L453 HydrophobicContact CD2-CB 4.21Å; L437-L453 HydrophobicContact CD2-CD1 4.45Å; H450-L453 PolarHBondContact O-N 3.42Å; H450-L453 VanDerWaalsContact O-N 3.12Å; E451-L453 PolarHBondContact O-N 3.16Å; L453-N455 PolarHBondContact O-N 3.32Å; L453-F456 PolarHBondContact O-N 3.11Å; L453-C457 PolarHBondContact O-N 2.96Å; L453-C457 PolarHBondContact O-SG 3.42Å; L453-C457 VanDerWaalsContact O-SG 3.39Å; L453-L509 HydrophobicContact CD1-CB 4.44Å; L453-L509 HydrophobicContact CD1-CD1 4.3Å; L453-L509 HydrophobicContact CD2-CB 4.27Å; L453-V512 HydrophobicContact CD1-CB 4.29Å; L453-V512 HydrophobicContact CD1-CG1 4.42Å; L453-V512 HydrophobicContact CD1-CG2 4.04Å; L453-F546 HydrophobicContact CD2-CE2 4.22Å; L453-F546 HydrophobicContact CD2-CZ 3.62Å
454	R	95.3	Very high	93	Very high	38 Å²	38	41.1 Å²	41.1	14%	0.143	20%	0.204	C	C	.	.	H	α-helix	trans	-58.4	-49.2	176.5	-177.5	-158.8	58.8	-164.6	-8.2	110.9	K434 L437 D438 H450 E451 F456 C457 Y458	K434-R454 HydrophobicContact CG-CG 4.45Å; L437-R454 HydrophobicContact CB-CB 3.94Å; L437-R454 HydrophobicContact CB-CG 4.39Å; D438-R454 WeakPolarHBondContact OD1-CD 3.36Å; D438-R454 IonicContact OD1-CZ 3.23Å; D438-R454 IonicContact OD1-NE 2.7Å; D438-R454 IonicContact OD1-NH1 3.45Å; D438-R454 PolarHBondContact OD1-NH1 3.07Å; D438-R454 WeakPolarHBondContact OD2-CD 3.45Å; H450-R454 WeakPolarHBondContact O-CB 3.09Å; H450-R454 PolarHBondContact O-N 3Å; E451-R454 PolarHBondContact O-N 3.07Å; E451-R454 IonicContact OE1-CZ 3.63Å; E451-R454 IonicContact OE1-NH2 3.56Å; E451-R454 PolarHBondContact OE1-NH2 2.8Å; R454-F456 VanDerWaalsContact C-N 3.26Å; R454-F456 PolarHBondContact O-N 3.44Å; R454-C457 PolarHBondContact O-N 2.91Å; R454-C457 VanDerWaalsContact O-N 3.09Å; R454-Y458 WeakPolarHBondContact O-CB 3.29Å; R454-Y458 PolarHBondContact O-N 3.16Å
455	N	93.9	Very high	93.2	Very high	78 Å²	78	40.6 Å²	40.6	42%	0.417	20%	0.199	S	C	.	.	H	α-helix	trans	-62.5	-37	-175.4	-66.9	0.6	0	0	0	111	E451 L453 A459	E451-N455 VanDerWaalsContact O-CB 3.3Å; E451-N455 WeakPolarHBondContact O-CB 3.38Å; E451-N455 PolarHBondContact O-N 3.44Å; E451-N455 PolarHBondContact O-ND2 3.19Å; E451-N455 PolarHBondContact O-OD1 3.13Å; E451-N455 VanDerWaalsContact O-OD1 3.13Å; L453-N455 PolarHBondContact O-N 3.32Å; N455-A459 VanDerWaalsContact O-CB 3.3Å; N455-A459 WeakPolarHBondContact O-CB 3.47Å; N455-A459 PolarHBondContact O-N 2.98Å
456	F	94.1	Very high	93.7	Very high	8 Å²	8	45.8 Å²	45.8	4%	0.035	22%	0.222	C	C	.	.	H	α-helix	trans	-62.9	-48.4	170.4	168.1	-120.8	0	0	0	112.5	S452 L453 R454 Y458 A459 L460 F492 V497 M505 L545 F546 L549	S452-F456 PolarHBondContact O-N 2.8Å; L453-F456 PolarHBondContact O-N 3.11Å; R454-F456 VanDerWaalsContact C-N 3.26Å; R454-F456 PolarHBondContact O-N 3.44Å; F456-Y458 VanDerWaalsContact C-N 3.32Å; F456-Y458 PolarHBondContact O-N 2.76Å; F456-A459 PolarHBondContact O-N 2.89Å; F456-L460 HydrophobicContact CZ-CD2 4.26Å; F456-L460 WeakPolarHBondContact O-CB 3.3Å; F456-L460 PolarHBondContact O-N 2.9Å; F456-F492 HydrophobicContact CE2-CE1 4.44Å; F456-V497 HydrophobicContact CD2-CG2 3.56Å; F456-V497 HydrophobicContact CE2-CG2 3.82Å; F456-M505 HydrophobicContact CB-CE 3.9Å; F456-M505 HydrophobicContact CD1-CE 3.5Å; F456-M505 HydrophobicContact CD2-CE 4.04Å; F456-M505 HydrophobicContact CE1-CE 3.99Å; F456-M505 HydrophobicContact CE2-CE 4.49Å; F456-M505 HydrophobicContact CG-CE 3.52Å; F456-M505 HydrophobicContact CZ-CE 4.47Å; F456-L545 HydrophobicContact CE1-CD2 3.52Å; F456-L545 HydrophobicContact CE1-CG 4.06Å; F456-L545 HydrophobicContact CZ-CD2 3.79Å; F456-L545 HydrophobicContact CZ-CG 4.14Å; F456-F546 HydrophobicContact CD1-CE1 4.18Å; F456-F546 AromaticContact CE1-CE1 3.95Å; F456-F546 HydrophobicContact CE1-CE1 3.95Å; F456-L549 HydrophobicContact CE1-CD1 4.28Å; F456-L549 HydrophobicContact CZ-CD1 3.84Å
457	C	95.9	Very high	94	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.7	-39.3	177.4	-65.4	0	0	0	0	112.5	L430 K434 L453 R454 L460 I461	L430-C457 HydrophobicContact CD1-CB 3.88Å; K434-C457 HydrophobicContact CB-CB 4.02Å; L453-C457 PolarHBondContact O-N 2.96Å; L453-C457 PolarHBondContact O-SG 3.42Å; L453-C457 VanDerWaalsContact O-SG 3.39Å; R454-C457 PolarHBondContact O-N 2.91Å; R454-C457 VanDerWaalsContact O-N 3.09Å; C457-L460 PolarHBondContact O-N 3.41Å; C457-I461 VanDerWaalsContact O-CG1 3.25Å; C457-I461 WeakPolarHBondContact O-CG1 3.35Å; C457-I461 PolarHBondContact O-N 3.46Å
458	Y	95.4	Very high	94.2	Very high	122 Å²	122	42.8 Å²	42.8	48%	0.478	22%	0.215	S	C	.	.	H	α-helix	trans	-65.4	-47.9	176.3	-179.5	-102.2	0	0	0	112.1	R454 F456 L460 I461 N462	R454-Y458 WeakPolarHBondContact O-CB 3.29Å; R454-Y458 PolarHBondContact O-N 3.16Å; F456-Y458 VanDerWaalsContact C-N 3.32Å; F456-Y458 PolarHBondContact O-N 2.76Å; Y458-L460 VanDerWaalsContact C-N 3.28Å; Y458-L460 PolarHBondContact O-N 3.37Å; Y458-I461 PolarHBondContact O-N 2.66Å; Y458-N462 VanDerWaalsContact CE1-ND2 3.34Å; Y458-N462 WeakPolarHBondContact CE1-ND2 3.41Å; Y458-N462 PolarHBondContact O-N 3.03Å; Y458-N462 PolarHBondContact O-OD1 3.32Å; Y458-N462 PolarHBondContact OH-ND2 2.9Å
459	A	95.7	Very high	94.3	Very high	25 Å²	25	42.9 Å²	42.9	21%	0.207	22%	0.222	C	C	.	.	H	α-helix	trans	-59.4	-39.2	175.4	0	0	0	0	0	112.1	N455 F456 W463 L495	N455-A459 VanDerWaalsContact O-CB 3.3Å; N455-A459 WeakPolarHBondContact O-CB 3.47Å; N455-A459 PolarHBondContact O-N 2.98Å; F456-A459 PolarHBondContact O-N 2.89Å; A459-W463 WeakPolarHBondContact O-CB 3.34Å; A459-W463 PolarHBondContact O-N 3.34Å; A459-L495 HydrophobicContact CB-CB 4.45Å; A459-L495 HydrophobicContact CB-CD2 4.25Å
460	L	95.6	Very high	94.4	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-68.8	-38.1	175.8	-174	63.1	0	0	0	112.6	L425 L430 F456 C457 Y458 W463 I464 F492 L545 L608	L425-L460 HydrophobicContact CD2-CD2 4.31Å; L430-L460 HydrophobicContact CD1-CD2 4.43Å; L430-L460 HydrophobicContact CD2-CB 4.18Å; L430-L460 HydrophobicContact CD2-CD2 3.81Å; L430-L460 HydrophobicContact CD2-CG 3.85Å; F456-L460 HydrophobicContact CZ-CD2 4.26Å; F456-L460 WeakPolarHBondContact O-CB 3.3Å; F456-L460 PolarHBondContact O-N 2.9Å; C457-L460 PolarHBondContact O-N 3.41Å; Y458-L460 VanDerWaalsContact C-N 3.28Å; Y458-L460 PolarHBondContact O-N 3.37Å; L460-W463 HydrophobicContact CD1-CE3 3.95Å; L460-W463 HydrophobicContact CD1-CZ3 4.38Å; L460-I464 HydrophobicContact CD1-CD1 4.39Å; L460-I464 HydrophobicContact CG-CD1 4.03Å; L460-I464 WeakPolarHBondContact O-CB 3.47Å; L460-I464 WeakPolarHBondContact O-CD1 3.07Å; L460-I464 WeakPolarHBondContact O-CG1 3.45Å; L460-I464 PolarHBondContact O-N 3.22Å; L460-F492 HydrophobicContact CD1-CE1 4.37Å; L460-L545 HydrophobicContact CD2-CD1 4.47Å; L460-L545 HydrophobicContact CD2-CD2 3.81Å; L460-L608 HydrophobicContact CD1-CD2 4.07Å
461	I	96.5	Very high	94.3	Very high	10 Å²	10	46.4 Å²	46.4	5%	0.051	24%	0.242	C	C	.	.	H	α-helix	trans	-60.9	-49.9	173.5	-73.5	163.1	0	0	0	110.6	L427 L430 Q431 K434 C457 Y458 I464 Q465	L427-I461 HydrophobicContact CD1-CG1 4.11Å; L427-I461 HydrophobicContact CD1-CG2 4.32Å; L430-I461 HydrophobicContact CB-CG1 4.49Å; L430-I461 HydrophobicContact CD2-CG1 3.61Å; L430-I461 HydrophobicContact CG-CD1 4.11Å; L430-I461 HydrophobicContact CG-CG1 3.73Å; Q431-I461 HydrophobicContact CG-CD1 4.07Å; K434-I461 HydrophobicContact CB-CD1 3.79Å; K434-I461 HydrophobicContact CD-CD1 4.39Å; K434-I461 HydrophobicContact CG-CD1 4.03Å; C457-I461 VanDerWaalsContact O-CG1 3.25Å; C457-I461 WeakPolarHBondContact O-CG1 3.35Å; C457-I461 PolarHBondContact O-N 3.46Å; Y458-I461 PolarHBondContact O-N 2.66Å; I461-I464 PolarHBondContact O-N 2.77Å; I461-Q465 WeakPolarHBondContact O-CG 3.13Å; I461-Q465 PolarHBondContact O-N 3Å
462	N	95.6	Very high	94.1	Very high	42 Å²	42	46.9 Å²	46.9	23%	0.225	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-47.8	-179	-68	10.2	0	0	0	110.7	Y458 I464 Q465 E466	Y458-N462 VanDerWaalsContact CE1-ND2 3.34Å; Y458-N462 WeakPolarHBondContact CE1-ND2 3.41Å; Y458-N462 PolarHBondContact O-N 3.03Å; Y458-N462 PolarHBondContact O-OD1 3.32Å; Y458-N462 PolarHBondContact OH-ND2 2.9Å; N462-I464 VanDerWaalsContact C-N 3.33Å; N462-I464 PolarHBondContact O-N 2.75Å; N462-Q465 WeakPolarHBondContact O-CB 3.44Å; N462-Q465 PolarHBondContact O-N 2.91Å; N462-E466 WeakPolarHBondContact O-CG 3.43Å; N462-E466 PolarHBondContact O-N 3.34Å
463	W	95.6	Very high	93.8	Very high	24 Å²	24	52.6 Å²	52.6	9%	0.091	27%	0.274	C	S	.	.	H	α-helix	trans	-60.2	-39.2	176.3	174.5	75.3	0	0	0	113.1	A459 L460 Q465 S467 W483 I488 V491 L495 L608	A459-W463 WeakPolarHBondContact O-CB 3.34Å; A459-W463 PolarHBondContact O-N 3.34Å; L460-W463 HydrophobicContact CD1-CE3 3.95Å; L460-W463 HydrophobicContact CD1-CZ3 4.38Å; W463-Q465 VanDerWaalsContact C-N 3.32Å; W463-Q465 PolarHBondContact O-N 2.96Å; W463-S467 VanDerWaalsContact CE2-OG 3.26Å; W463-S467 PolarHBondContact NE1-OG 3.06Å; W463-S467 WeakPolarHBondContact O-CB 3.5Å; W463-S467 PolarHBondContact O-N 3.08Å; W463-S467 PolarHBondContact O-OG 3.13Å; W463-W483 HydrophobicContact CH2-CE3 4.35Å; W463-W483 AromaticContact CH2-CH2 3.96Å; W463-W483 HydrophobicContact CH2-CH2 3.96Å; W463-W483 HydrophobicContact CH2-CZ2 4.25Å; W463-W483 HydrophobicContact CH2-CZ3 4.03Å; W463-W483 HydrophobicContact CZ2-CD2 4.4Å; W463-W483 AromaticContact CZ2-CE2 3.97Å; W463-W483 AromaticContact CZ2-CH2 3.87Å; W463-W483 HydrophobicContact CZ2-CH2 3.87Å; W463-W483 AromaticContact CZ2-CZ2 3.69Å; W463-W483 HydrophobicContact CZ2-CZ2 3.69Å; W463-W483 HydrophobicContact CZ2-CZ3 4.29Å; W463-I488 HydrophobicContact CH2-CD1 3.55Å; W463-I488 HydrophobicContact CZ2-CD1 3.8Å; W463-I488 HydrophobicContact CZ3-CD1 4.26Å; W463-V491 HydrophobicContact CD2-CG1 3.91Å; W463-V491 HydrophobicContact CG-CG1 4.04Å; W463-V491 HydrophobicContact CZ2-CG1 4.13Å; W463-V491 HydrophobicContact CZ2-CG2 4.45Å; W463-L495 HydrophobicContact CB-CD1 4.09Å; W463-L495 HydrophobicContact CB-CD2 4.26Å; W463-L495 HydrophobicContact CG-CD1 4.31Å; W463-L608 HydrophobicContact CH2-CD1 4.11Å; W463-L608 HydrophobicContact CZ3-CD1 3.84Å; W463-L608 HydrophobicContact CZ3-CD2 3.9Å
464	I	95	Very high	92.9	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.015	30%	0.295	C	S	.	.	H	α-helix	trans	-61.6	-41.2	174.1	-76.4	166.3	0	0	0	110.9	L427 L430 L460 I461 N462 Q468 L567 L606 L608	L427-I464 HydrophobicContact CD1-CD1 4.47Å; L427-I464 HydrophobicContact CD1-CG2 4.08Å; L427-I464 HydrophobicContact CD2-CG2 4.35Å; L430-I464 HydrophobicContact CD2-CD1 3.89Å; L460-I464 HydrophobicContact CD1-CD1 4.39Å; L460-I464 HydrophobicContact CG-CD1 4.03Å; L460-I464 WeakPolarHBondContact O-CB 3.47Å; L460-I464 WeakPolarHBondContact O-CD1 3.07Å; L460-I464 WeakPolarHBondContact O-CG1 3.45Å; L460-I464 PolarHBondContact O-N 3.22Å; I461-I464 PolarHBondContact O-N 2.77Å; N462-I464 VanDerWaalsContact C-N 3.33Å; N462-I464 PolarHBondContact O-N 2.75Å; I464-Q468 WeakPolarHBondContact O-CG 3.32Å; I464-L567 HydrophobicContact CG2-CD1 3.91Å; I464-L606 HydrophobicContact CG2-CD2 3.47Å; I464-L606 VanDerWaalsContact CG2-CD2 3.47Å; I464-L608 HydrophobicContact CD1-CB 4.21Å; I464-L608 HydrophobicContact CD1-CD2 3.89Å; I464-L608 HydrophobicContact CG1-CD2 4.08Å
465	Q	93.5	Very high	91.6	Very high	88 Å²	88	58 Å²	58	41%	0.411	31%	0.306	S	S	.	.	H	α-helix	trans	-69.4	-49.3	179.8	-72.2	174.7	-23.3	0	0	112	I461 N462 W463 S467 Q468	I461-Q465 WeakPolarHBondContact O-CG 3.13Å; I461-Q465 PolarHBondContact O-N 3Å; N462-Q465 WeakPolarHBondContact O-CB 3.44Å; N462-Q465 PolarHBondContact O-N 2.91Å; W463-Q465 VanDerWaalsContact C-N 3.32Å; W463-Q465 PolarHBondContact O-N 2.96Å; Q465-S467 VanDerWaalsContact C-N 3.29Å; Q465-S467 PolarHBondContact O-N 3.31Å; Q465-Q468 WeakPolarHBondContact O-CB 3.26Å; Q465-Q468 WeakPolarHBondContact O-CG 3.36Å; Q465-Q468 PolarHBondContact O-N 2.75Å; Q465-Q468 VanDerWaalsContact O-N 3.16Å
466	E	93.8	Very high	90.1	Very high	138 Å²	138	60.2 Å²	60.2	65%	0.645	31%	0.312	S	S	*	.	H	α-helix	trans	-58.2	-41.4	175.5	-69.6	164.6	-160.5	0	0	111.7	N462 Q468 A469	N462-E466 WeakPolarHBondContact O-CG 3.43Å; N462-E466 PolarHBondContact O-N 3.34Å; E466-Q468 PolarHBondContact O-N 3.13Å; E466-A469 PolarHBondContact O-N 2.93Å
467	S	94	Very high	89.1	Confident	5 Å²	5	64.1 Å²	64.1	4%	0.035	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-69.5	-9.1	-179.8	-64.4	0	0	0	0	114.6	W463 Q465 A469 L470	W463-S467 VanDerWaalsContact CE2-OG 3.26Å; W463-S467 PolarHBondContact NE1-OG 3.06Å; W463-S467 WeakPolarHBondContact O-CB 3.5Å; W463-S467 PolarHBondContact O-N 3.08Å; W463-S467 PolarHBondContact O-OG 3.13Å; Q465-S467 VanDerWaalsContact C-N 3.29Å; Q465-S467 PolarHBondContact O-N 3.31Å; S467-A469 PolarHBondContact O-N 3.39Å; S467-L470 WeakPolarHBondContact O-CB 3.47Å; S467-L470 PolarHBondContact O-N 3.03Å; S467-L470 VanDerWaalsContact O-N 3.09Å
468	Q	92.8	Very high	88.5	Confident	75 Å²	75	66.7 Å²	66.7	35%	0.35	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-61.9	-31.5	174.1	-64.7	-179.1	26.8	0	0	112.1	I464 Q465 E466 L470 L471 L606	I464-Q468 WeakPolarHBondContact O-CG 3.32Å; Q465-Q468 WeakPolarHBondContact O-CB 3.26Å; Q465-Q468 WeakPolarHBondContact O-CG 3.36Å; Q465-Q468 PolarHBondContact O-N 2.75Å; Q465-Q468 VanDerWaalsContact O-N 3.16Å; E466-Q468 PolarHBondContact O-N 3.13Å; Q468-L470 PolarHBondContact O-N 3.15Å; Q468-L470 VanDerWaalsContact O-N 3.12Å; Q468-L471 HydrophobicContact CB-CD1 4.19Å; Q468-L471 HydrophobicContact CG-CD1 4.48Å; Q468-L471 WeakPolarHBondContact O-CB 3.33Å; Q468-L471 WeakPolarHBondContact O-CD1 3.39Å; Q468-L471 VanDerWaalsContact O-CG 3.26Å; Q468-L471 WeakPolarHBondContact O-CG 3.43Å; Q468-L471 PolarHBondContact O-N 3.09Å; Q468-L471 VanDerWaalsContact O-N 3.16Å; Q468-L606 HydrophobicContact CG-CD1 4.35Å; Q468-L606 HydrophobicContact CG-CD2 4.08Å
469	A	92.2	Very high	88.3	Confident	94 Å²	94	61 Å²	61	78%	0.777	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-65.4	-12.1	176.3	0	0	0	0	0	113.7	E466 S467	E466-A469 PolarHBondContact O-N 2.93Å; S467-A469 PolarHBondContact O-N 3.39Å
470	L	92.7	Very high	88.2	Confident	99 Å²	99	60.2 Å²	60.2	52%	0.518	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-99.2	2.5	179	-54.5	178.2	0	0	0	113.2	S467 Q468 K481 W483	S467-L470 WeakPolarHBondContact O-CB 3.47Å; S467-L470 PolarHBondContact O-N 3.03Å; S467-L470 VanDerWaalsContact O-N 3.09Å; Q468-L470 PolarHBondContact O-N 3.15Å; Q468-L470 VanDerWaalsContact O-N 3.12Å; L470-K481 HydrophobicContact CB-CD 4.28Å; L470-K481 HydrophobicContact CB-CG 4.03Å; L470-K481 WeakPolarHBondContact O-CB 3.41Å; L470-W483 HydrophobicContact CD1-CZ2 4.38Å
471	L	92	Very high	88.2	Confident	33 Å²	33	63.3 Å²	63.3	17%	0.173	33%	0.334	C	S	.	.			trans	-70.9	128.8	-179.1	-67.1	172	0	0	0	111.9	Q468 A479 K481 L567 R569 L606	Q468-L471 HydrophobicContact CB-CD1 4.19Å; Q468-L471 HydrophobicContact CG-CD1 4.48Å; Q468-L471 WeakPolarHBondContact O-CB 3.33Å; Q468-L471 WeakPolarHBondContact O-CD1 3.39Å; Q468-L471 VanDerWaalsContact O-CG 3.26Å; Q468-L471 WeakPolarHBondContact O-CG 3.43Å; Q468-L471 PolarHBondContact O-N 3.09Å; Q468-L471 VanDerWaalsContact O-N 3.16Å; L471-A479 HydrophobicContact CB-CB 4.07Å; L471-K481 HydrophobicContact CD2-CB 4.02Å; L471-L567 HydrophobicContact CD2-CB 4.26Å; L471-L567 HydrophobicContact CD2-CD2 4.07Å; L471-L567 HydrophobicContact CD2-CG 4.02Å; L471-L567 WeakPolarHBondContact CD2-O 3.45Å; L471-L567 HydrophobicContact CG-CD2 4.47Å; L471-R569 HydrophobicContact CD1-CB 3.95Å; L471-L606 HydrophobicContact CD1-CD1 4.37Å
472	S	90.2	Very high	88.2	Confident	65 Å²	65	64.5 Å²	64.5	46%	0.455	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	133.2	173.6	59.9	0	0	0	0	111.3	A479 C480	S472-A479 CarbonylContact O-C 3.56Å; S472-A479 WeakPolarHBondContact O-CA 3.43Å; S472-C480 PolarHBondContact N-O 2.8Å; S472-C480 PolarHBondContact O-N 3.43Å; S472-C480 PolarHBondContact OG-O 2.87Å
473	E	86.6	Confident	88.2	Confident	157 Å²	157	63.8 Å²	63.8	73%	0.734	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	145.2	177.1	-57.4	-172.2	151.8	0	0	111.5	A479	E473-A479 HydrophobicContact CG-CB 4.3Å
474	R	73.8	Confident	88.3	Confident	116 Å²	116	63.6 Å²	63.6	44%	0.438	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	-8	-175.6	-100.2	-160.6	173.4	-125	-2.9	116.4	S478 C480 E814	R474-S478 PolarHBondContact N-O 2.77Å; R474-C480 VanDerWaalsContact CD-SG 3.6Å; R474-E814 IonicContact CZ-OE1 2.99Å; R474-E814 IonicContact CZ-OE2 2.68Å; R474-E814 IonicContact NH1-OE2 3.25Å; R474-E814 PolarHBondContact NH1-OE2 2.9Å; R474-E814 VanDerWaalsContact NH2-CD 3.26Å; R474-E814 IonicContact NH2-OE1 3.68Å; R474-E814 PolarHBondContact NH2-OE1 2.88Å; R474-E814 IonicContact NH2-OE2 3.18Å; R474-E814 PolarHBondContact NH2-OE2 3.12Å
475	G	68.1	Low	88.2	Confident	37 Å²	37	63.5 Å²	63.5	38%	0.381	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	168.8	-169	-177.1	0	0	0	0	0	108.9	E477	G475-E477 PolarHBondContact O-N 3.25Å
476	F	63.4	Low	88.1	Confident	123 Å²	123	64.8 Å²	64.8	54%	0.539	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	126.8	175.4	-138	-111.2	0	0	0	111.5	S478 E1056	F476-S478 PolarHBondContact O-N 2.94Å; F476-S478 PolarHBondContact O-OG 3.17Å; F476-E1056 WeakPolarHBondContact CB-OE2 3.12Å; F476-E1056 HydrophobicContact CD2-CB 4.49Å; F476-E1056 PolarHBondContact N-OE2 3.23Å
477	E	73.3	Confident	88.1	Confident	90 Å²	90	61.8 Å²	61.8	42%	0.421	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	24.1	165.3	-61.5	176.6	140.6	0	0	115.9	G475 Y571 K602	G475-E477 PolarHBondContact O-N 3.25Å; E477-Y571 HydrophobicContact CB-CD2 3.75Å; E477-Y571 HydrophobicContact CB-CE2 4.05Å; E477-Y571 WeakPolarHBondContact O-CD2 3.48Å; E477-K602 WeakPolarHBondContact OE1-CE 3.41Å; E477-K602 IonicContact OE1-NZ 2.78Å; E477-K602 PolarHBondContact OE1-NZ 2.71Å; E477-K602 WeakPolarHBondContact OE2-CE 3.31Å; E477-K602 IonicContact OE2-NZ 3.81Å; E477-K602 PolarHBondContact OE2-NZ 3.39Å
478	S	83.8	Confident	88.1	Confident	54 Å²	54	61.5 Å²	61.5	38%	0.378	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	124	-177.6	49.7	0	0	0	0	111.9	R474 F476 R569	R474-S478 PolarHBondContact N-O 2.77Å; F476-S478 PolarHBondContact O-N 2.94Å; F476-S478 PolarHBondContact O-OG 3.17Å; S478-R569 WeakPolarHBondContact CA-O 3.24Å
479	A	89.5	Confident	88.2	Confident	3 Å²	3	59.3 Å²	59.3	3%	0.025	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	140.4	176.7	0	0	0	0	0	109.6	L471 S472 E473 Q568 R569	L471-A479 HydrophobicContact CB-CB 4.07Å; S472-A479 CarbonylContact O-C 3.56Å; S472-A479 WeakPolarHBondContact O-CA 3.43Å; E473-A479 HydrophobicContact CG-CB 4.3Å; A479-Q568 WeakPolarHBondContact O-CA 3.46Å; A479-R569 HydrophobicContact CB-CB 4.48Å; A479-R569 PolarHBondContact N-O 3.3Å; A479-R569 VanDerWaalsContact N-O 3.15Å; A479-R569 PolarHBondContact O-N 3.39Å
480	C	94.2	Very high	88.2	Confident	9 Å²	9	59.4 Å²	59.4	6%	0.061	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	154.8	-176.5	72	0	0	0	0	112.4	S472 R474 L567 Q568 L811	S472-C480 PolarHBondContact N-O 2.8Å; S472-C480 PolarHBondContact O-N 3.43Å; S472-C480 PolarHBondContact OG-O 2.87Å; R474-C480 VanDerWaalsContact CD-SG 3.6Å; C480-L567 CarbonylContact C-O 3.57Å; C480-L567 WeakPolarHBondContact CA-O 3.28Å; C480-Q568 HydrophobicContact CB-CG 4.16Å; C480-L811 HydrophobicContact CB-CD2 4.24Å
481	K	95.7	Very high	88.2	Confident	65 Å²	65	55.6 Å²	55.6	28%	0.283	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132.4	166.5	173.7	57.3	-178.1	143.9	0	107.6	L470 L471 W483 A566 L567	L470-K481 HydrophobicContact CB-CD 4.28Å; L470-K481 HydrophobicContact CB-CG 4.03Å; L470-K481 WeakPolarHBondContact O-CB 3.41Å; L471-K481 HydrophobicContact CD2-CB 4.02Å; K481-W483 HydrophobicContact CB-CH2 3.84Å; K481-W483 HydrophobicContact CB-CZ2 4.38Å; K481-W483 HydrophobicContact CB-CZ3 3.99Å; K481-W483 HydrophobicContact CD-CZ2 4.44Å; K481-W483 HydrophobicContact CG-CD2 4.11Å; K481-W483 HydrophobicContact CG-CE3 4.05Å; K481-W483 HydrophobicContact CG-CH2 3.35Å; K481-W483 HydrophobicContact CG-CZ2 3.4Å; K481-W483 VanDerWaalsContact CG-CZ2 3.4Å; K481-W483 HydrophobicContact CG-CZ3 3.68Å; K481-W483 WeakPolarHBondContact O-CZ3 3.34Å; K481-A566 CarbonylContact O-C 3.6Å; K481-A566 WeakPolarHBondContact O-CA 3.5Å; K481-L567 PolarHBondContact N-O 3.44Å; K481-L567 PolarHBondContact O-N 3.32Å
482	V	96.4	Very high	88.3	Confident	35 Å²	35	54.1 Å²	54.1	21%	0.212	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	143.9	178.9	-173.3	0	0	0	0	110.3	R564 I565 A566 L811 L815	V482-R564 HydrophobicContact CG1-CB 4.12Å; V482-I565 CarbonylContact C-O 3.54Å; V482-I565 VanDerWaalsContact CA-O 3.3Å; V482-I565 WeakPolarHBondContact CA-O 3.27Å; V482-A566 HydrophobicContact CG2-CB 4.07Å; V482-L811 HydrophobicContact CG2-CD1 4.29Å; V482-L811 HydrophobicContact CG2-CD2 4.03Å; V482-L815 HydrophobicContact CG1-CD1 4.06Å; V482-L815 HydrophobicContact CG1-CD2 4.14Å; V482-L815 HydrophobicContact CG2-CD1 4.4Å
483	W	96.7	Very high	88.3	Confident	26 Å²	26	57.2 Å²	57.2	10%	0.098	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	151.9	174.9	-64.8	-95.3	0	0	0	109.7	W463 L470 K481 D487 R564 I565 L567	W463-W483 HydrophobicContact CH2-CE3 4.35Å; W463-W483 AromaticContact CH2-CH2 3.96Å; W463-W483 HydrophobicContact CH2-CH2 3.96Å; W463-W483 HydrophobicContact CH2-CZ2 4.25Å; W463-W483 HydrophobicContact CH2-CZ3 4.03Å; W463-W483 HydrophobicContact CZ2-CD2 4.4Å; W463-W483 AromaticContact CZ2-CE2 3.97Å; W463-W483 AromaticContact CZ2-CH2 3.87Å; W463-W483 HydrophobicContact CZ2-CH2 3.87Å; W463-W483 AromaticContact CZ2-CZ2 3.69Å; W463-W483 HydrophobicContact CZ2-CZ2 3.69Å; W463-W483 HydrophobicContact CZ2-CZ3 4.29Å; L470-W483 HydrophobicContact CD1-CZ2 4.38Å; K481-W483 HydrophobicContact CB-CH2 3.84Å; K481-W483 HydrophobicContact CB-CZ2 4.38Å; K481-W483 HydrophobicContact CB-CZ3 3.99Å; K481-W483 HydrophobicContact CD-CZ2 4.44Å; K481-W483 HydrophobicContact CG-CD2 4.11Å; K481-W483 HydrophobicContact CG-CE3 4.05Å; K481-W483 HydrophobicContact CG-CH2 3.35Å; K481-W483 HydrophobicContact CG-CZ2 3.4Å; K481-W483 VanDerWaalsContact CG-CZ2 3.4Å; K481-W483 HydrophobicContact CG-CZ3 3.68Å; K481-W483 WeakPolarHBondContact O-CZ3 3.34Å; W483-D487 HydrophobicContact CB-CB 4.06Å; W483-D487 HydrophobicContact CG-CB 4.49Å; W483-R564 WeakPolarHBondContact O-CA 3.33Å; W483-I565 PolarHBondContact N-O 2.72Å; W483-I565 PolarHBondContact O-N 3.41Å; W483-L567 HydrophobicContact CH2-CB 3.91Å; W483-L567 HydrophobicContact CH2-CD2 4.4Å; W483-L567 HydrophobicContact CZ3-CB 3.61Å
484	S	95.9	Very high	88.6	Confident	21 Å²	21	54.1 Å²	54.1	15%	0.147	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	161.9	164.6	72.1	0	0	0	0	110.8	K486 D487 I488	S484-K486 PolarHBondContact O-N 3.01Å; S484-K486 PolarHBondContact OG-N 3.17Å; S484-D487 VanDerWaalsContact CB-OD2 3.28Å; S484-D487 WeakPolarHBondContact CB-OD2 3.42Å; S484-D487 PolarHBondContact N-OD2 2.88Å; S484-D487 PolarHBondContact O-N 3.22Å; S484-D487 VanDerWaalsContact O-N 3.14Å; S484-D487 PolarHBondContact OG-N 2.81Å; S484-D487 VanDerWaalsContact OG-N 3.12Å; S484-D487 PolarHBondContact OG-OD2 3.36Å; S484-I488 PolarHBondContact O-N 2.72Å
485	G	92.9	Very high	89.4	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-66.3	-18.2	171.7	0	0	0	0	0	113.7	L489 A560 Y563	G485-L489 WeakPolarHBondContact O-CD1 3.36Å; G485-L489 VanDerWaalsContact O-CG 3.25Å; G485-L489 WeakPolarHBondContact O-CG 3.46Å; G485-L489 PolarHBondContact O-N 3.5Å; G485-A560 WeakPolarHBondContact CA-O 3.3Å; G485-A560 PolarHBondContact N-O 3.1Å; G485-Y563 PolarHBondContact N-O 3.06Å; G485-Y563 VanDerWaalsContact N-O 3.12Å
486	K	91.9	Very high	90.3	Very high	116 Å²	116	51.1 Å²	51.1	50%	0.504	28%	0.279	S	S	.	.	H	α-helix	trans	-71.1	-43.7	167.2	-78.8	-178.7	175.7	162.4	0	112	S484 I488 L489 T490 E561	S484-K486 PolarHBondContact O-N 3.01Å; S484-K486 PolarHBondContact OG-N 3.17Å; K486-I488 VanDerWaalsContact C-N 3.35Å; K486-I488 PolarHBondContact O-N 2.92Å; K486-L489 PolarHBondContact O-N 2.9Å; K486-T490 PolarHBondContact O-N 3.32Å; K486-E561 HydrophobicContact CD-CG 4.49Å; K486-E561 WeakPolarHBondContact CD-OE1 3.36Å; K486-E561 WeakPolarHBondContact CE-OE1 3.41Å; K486-E561 IonicContact NZ-OE1 3.55Å; K486-E561 PolarHBondContact NZ-OE1 2.97Å
487	D	94.4	Very high	91.5	Very high	74 Å²	74	45.4 Å²	45.4	40%	0.396	26%	0.255	S	S	.	.	H	α-helix	trans	-63.7	-41.3	176.8	-51.2	-50.2	0	0	0	110.9	W483 S484 L489 T490 V491	W483-D487 HydrophobicContact CB-CB 4.06Å; W483-D487 HydrophobicContact CG-CB 4.49Å; S484-D487 VanDerWaalsContact CB-OD2 3.28Å; S484-D487 WeakPolarHBondContact CB-OD2 3.42Å; S484-D487 PolarHBondContact N-OD2 2.88Å; S484-D487 PolarHBondContact O-N 3.22Å; S484-D487 VanDerWaalsContact O-N 3.14Å; S484-D487 PolarHBondContact OG-N 2.81Å; S484-D487 VanDerWaalsContact OG-N 3.12Å; S484-D487 PolarHBondContact OG-OD2 3.36Å; D487-L489 VanDerWaalsContact C-N 3.27Å; D487-L489 PolarHBondContact O-N 2.73Å; D487-T490 PolarHBondContact O-N 3.42Å; D487-T490 PolarHBondContact O-OG1 2.89Å; D487-V491 PolarHBondContact O-N 3.42Å; D487-V491 VanDerWaalsContact O-N 3.12Å
488	I	94.3	Very high	92.2	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-68.2	-27.5	178.3	-148.4	69.7	0	0	0	112.4	W463 S484 K486 V491 F492 L552 I565	W463-I488 HydrophobicContact CH2-CD1 3.55Å; W463-I488 HydrophobicContact CZ2-CD1 3.8Å; W463-I488 HydrophobicContact CZ3-CD1 4.26Å; S484-I488 PolarHBondContact O-N 2.72Å; K486-I488 VanDerWaalsContact C-N 3.35Å; K486-I488 PolarHBondContact O-N 2.92Å; I488-V491 HydrophobicContact CD1-CB 4.24Å; I488-V491 HydrophobicContact CD1-CG1 4.32Å; I488-V491 HydrophobicContact CD1-CG2 4.46Å; I488-V491 WeakPolarHBondContact O-CB 3.33Å; I488-V491 PolarHBondContact O-N 2.87Å; I488-F492 HydrophobicContact CB-CE2 4.35Å; I488-F492 HydrophobicContact CG1-CD2 4.06Å; I488-F492 HydrophobicContact CG1-CE2 3.67Å; I488-F492 HydrophobicContact CG1-CZ 3.96Å; I488-F492 HydrophobicContact CG2-CD2 4Å; I488-F492 HydrophobicContact CG2-CE2 3.78Å; I488-F492 WeakPolarHBondContact O-CB 3.44Å; I488-F492 WeakPolarHBondContact O-CD2 3.44Å; I488-F492 WeakPolarHBondContact O-CG 3.11Å; I488-F492 PolarHBondContact O-N 3.41Å; I488-L552 HydrophobicContact CG2-CD1 4.24Å; I488-I565 HydrophobicContact CB-CD1 3.91Å; I488-I565 HydrophobicContact CB-CG1 4.07Å; I488-I565 HydrophobicContact CD1-CB 4.38Å; I488-I565 HydrophobicContact CD1-CG2 3.98Å; I488-I565 HydrophobicContact CG1-CB 4.44Å; I488-I565 HydrophobicContact CG1-CD1 4.49Å; I488-I565 HydrophobicContact CG1-CG1 4.11Å; I488-I565 HydrophobicContact CG1-CG2 4.32Å; I488-I565 HydrophobicContact CG2-CD1 3.57Å; I488-I565 HydrophobicContact CG2-CG1 4.01Å
489	L	93.3	Very high	92.3	Very high	28 Å²	28	46 Å²	46	15%	0.147	25%	0.252	C	S	.	.	H	α-helix	trans	-69.2	-33.2	174.3	-77	168.6	0	0	0	112.1	G485 K486 D487 H493 Y553 C557 A560	G485-L489 WeakPolarHBondContact O-CD1 3.36Å; G485-L489 VanDerWaalsContact O-CG 3.25Å; G485-L489 WeakPolarHBondContact O-CG 3.46Å; G485-L489 PolarHBondContact O-N 3.5Å; K486-L489 PolarHBondContact O-N 2.9Å; D487-L489 VanDerWaalsContact C-N 3.27Å; D487-L489 PolarHBondContact O-N 2.73Å; L489-H493 WeakPolarHBondContact O-CB 3.33Å; L489-H493 PolarHBondContact O-N 3.46Å; L489-Y553 HydrophobicContact CD2-CD1 3.93Å; L489-Y553 HydrophobicContact CD2-CE1 3.41Å; L489-Y553 VanDerWaalsContact CD2-CE1 3.41Å; L489-Y553 HydrophobicContact CD2-CE2 4.5Å; L489-C557 HydrophobicContact CD1-CB 3.7Å; L489-A560 HydrophobicContact CD1-CB 3.55Å
490	T	93.1	Very high	92.1	Very high	96 Å²	96	50.9 Å²	50.9	59%	0.589	28%	0.278	S	S	*	.	H	α-helix	trans	-71.2	-37.5	172.3	68.3	0	0	0	0	111.4	K486 D487 H493 S494	K486-T490 PolarHBondContact O-N 3.32Å; D487-T490 PolarHBondContact O-N 3.42Å; D487-T490 PolarHBondContact O-OG1 2.89Å; T490-H493 PolarHBondContact O-N 3.09Å; T490-S494 PolarHBondContact O-N 2.9Å
491	V	92.9	Very high	91.9	Very high	20 Å²	20	53 Å²	53	12%	0.121	29%	0.291	C	S	.	.	H	α-helix	trans	-59.3	-54.2	170.3	171.5	0	0	0	0	110.6	W463 D487 I488 H493 S494 L495	W463-V491 HydrophobicContact CD2-CG1 3.91Å; W463-V491 HydrophobicContact CG-CG1 4.04Å; W463-V491 HydrophobicContact CZ2-CG1 4.13Å; W463-V491 HydrophobicContact CZ2-CG2 4.45Å; D487-V491 PolarHBondContact O-N 3.42Å; D487-V491 VanDerWaalsContact O-N 3.12Å; I488-V491 HydrophobicContact CD1-CB 4.24Å; I488-V491 HydrophobicContact CD1-CG1 4.32Å; I488-V491 HydrophobicContact CD1-CG2 4.46Å; I488-V491 WeakPolarHBondContact O-CB 3.33Å; I488-V491 PolarHBondContact O-N 2.87Å; V491-H493 VanDerWaalsContact C-N 3.3Å; V491-H493 PolarHBondContact O-N 3.14Å; V491-S494 CarbonylContact O-C 3.42Å; V491-S494 WeakPolarHBondContact O-CA 3.44Å; V491-S494 WeakPolarHBondContact O-CB 3.43Å; V491-S494 PolarHBondContact O-N 3.22Å; V491-S494 PolarHBondContact O-OG 3.29Å; V491-L495 HydrophobicContact CG1-CD1 3.98Å; V491-L495 HydrophobicContact CG1-CG 4.38Å; V491-L495 WeakPolarHBondContact O-CG 3.44Å; V491-L495 PolarHBondContact O-N 3.03Å
492	F	93	Very high	91.7	Very high	1 Å²	1	50 Å²	50	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-59	-40.6	-179.9	-76.1	-41.3	0	0	0	112.1	F456 L460 I488 S494 L495 G496 V497 L549 L552 Y553 F610	F456-F492 HydrophobicContact CE2-CE1 4.44Å; L460-F492 HydrophobicContact CD1-CE1 4.37Å; I488-F492 HydrophobicContact CB-CE2 4.35Å; I488-F492 HydrophobicContact CG1-CD2 4.06Å; I488-F492 HydrophobicContact CG1-CE2 3.67Å; I488-F492 HydrophobicContact CG1-CZ 3.96Å; I488-F492 HydrophobicContact CG2-CD2 4Å; I488-F492 HydrophobicContact CG2-CE2 3.78Å; I488-F492 WeakPolarHBondContact O-CB 3.44Å; I488-F492 WeakPolarHBondContact O-CD2 3.44Å; I488-F492 WeakPolarHBondContact O-CG 3.11Å; I488-F492 PolarHBondContact O-N 3.41Å; F492-S494 VanDerWaalsContact C-N 3.33Å; F492-S494 PolarHBondContact O-N 3.39Å; F492-L495 CarbonylContact O-C 3.6Å; F492-L495 WeakPolarHBondContact O-CA 3.34Å; F492-L495 PolarHBondContact O-N 2.89Å; F492-L495 VanDerWaalsContact O-N 3.1Å; F492-G496 PolarHBondContact O-N 2.66Å; F492-V497 CarbonylContact C-O 3.51Å; F492-V497 VanDerWaalsContact C-O 3.26Å; F492-V497 HydrophobicContact CB-CB 4.08Å; F492-V497 WeakPolarHBondContact O-CA 3.44Å; F492-V497 WeakPolarHBondContact O-CB 3.41Å; F492-V497 PolarHBondContact O-N 2.95Å; F492-L549 HydrophobicContact CD2-CD2 3.95Å; F492-L549 HydrophobicContact CE1-CD2 4.31Å; F492-L549 HydrophobicContact CE2-CD2 3.49Å; F492-L549 VanDerWaalsContact CE2-CD2 3.49Å; F492-L549 HydrophobicContact CZ-CD2 3.7Å; F492-L552 HydrophobicContact CE2-CD1 4.15Å; F492-Y553 WeakPolarHBondContact CB-OH 3.27Å; F492-F610 HydrophobicContact CE2-CE1 4.25Å; F492-F610 AromaticContact CZ-CE1 3.83Å; F492-F610 HydrophobicContact CZ-CE1 3.83Å; F492-F610 HydrophobicContact CZ-CZ 4.11Å
493	H	91.6	Very high	91.5	Very high	130 Å²	130	50 Å²	50	60%	0.602	28%	0.28	S	S	*	.	H	α-helix	trans	-59.4	-41.6	171.8	-173.7	-72.3	0	0	0	112.2	L489 T490 V491 L495 G496 V497	L489-H493 WeakPolarHBondContact O-CB 3.33Å; L489-H493 PolarHBondContact O-N 3.46Å; T490-H493 PolarHBondContact O-N 3.09Å; V491-H493 VanDerWaalsContact C-N 3.3Å; V491-H493 PolarHBondContact O-N 3.14Å; H493-L495 VanDerWaalsContact C-N 3.28Å; H493-L495 PolarHBondContact O-N 2.88Å; H493-G496 PolarHBondContact O-N 3.02Å; H493-G496 VanDerWaalsContact O-N 3.11Å; H493-V497 PolarHBondContact N-O 2.8Å
494	S	91.3	Very high	91.2	Very high	92 Å²	92	53 Å²	53	64%	0.643	30%	0.297	S	S	*	.	H	α-helix	trans	-68.6	-26.1	175.8	75.6	0	0	0	0	113.5	T490 V491 F492 G496	T490-S494 PolarHBondContact O-N 2.9Å; V491-S494 CarbonylContact O-C 3.42Å; V491-S494 WeakPolarHBondContact O-CA 3.44Å; V491-S494 WeakPolarHBondContact O-CB 3.43Å; V491-S494 PolarHBondContact O-N 3.22Å; V491-S494 PolarHBondContact O-OG 3.29Å; F492-S494 VanDerWaalsContact C-N 3.33Å; F492-S494 PolarHBondContact O-N 3.39Å; S494-G496 VanDerWaalsContact C-N 3.25Å; S494-G496 PolarHBondContact O-N 2.97Å
495	L	91.1	Very high	91	Very high	47 Å²	47	52.4 Å²	52.4	25%	0.246	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	9.3	171.3	-56.8	177.1	0	0	0	113.1	A459 W463 V491 F492 H493 V497	A459-L495 HydrophobicContact CB-CB 4.45Å; A459-L495 HydrophobicContact CB-CD2 4.25Å; W463-L495 HydrophobicContact CB-CD1 4.09Å; W463-L495 HydrophobicContact CB-CD2 4.26Å; W463-L495 HydrophobicContact CG-CD1 4.31Å; V491-L495 HydrophobicContact CG1-CD1 3.98Å; V491-L495 HydrophobicContact CG1-CG 4.38Å; V491-L495 WeakPolarHBondContact O-CG 3.44Å; V491-L495 PolarHBondContact O-N 3.03Å; F492-L495 CarbonylContact O-C 3.6Å; F492-L495 WeakPolarHBondContact O-CA 3.34Å; F492-L495 PolarHBondContact O-N 2.89Å; F492-L495 VanDerWaalsContact O-N 3.1Å; H493-L495 VanDerWaalsContact C-N 3.28Å; H493-L495 PolarHBondContact O-N 2.88Å; L495-V497 VanDerWaalsContact C-N 3.3Å; L495-V497 PolarHBondContact O-N 3.19Å
496	G	87.5	Confident	91	Very high	44 Å²	44	55.9 Å²	55.9	45%	0.454	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	8	179.3	0	0	0	0	0	115.4	F492 H493 S494 T501	F492-G496 PolarHBondContact O-N 2.66Å; H493-G496 PolarHBondContact O-N 3.02Å; H493-G496 VanDerWaalsContact O-N 3.11Å; S494-G496 VanDerWaalsContact C-N 3.25Å; S494-G496 PolarHBondContact O-N 2.97Å; G496-T501 PolarHBondContact O-OG1 3.39Å
497	V	89.1	Confident	91	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.018	31%	0.311	C	S	.	.			trans	-92.5	104.2	176.8	-172.1	0	0	0	0	109.1	F456 F492 H493 L495 T501 F502 Y553	F456-V497 HydrophobicContact CD2-CG2 3.56Å; F456-V497 HydrophobicContact CE2-CG2 3.82Å; F492-V497 CarbonylContact C-O 3.51Å; F492-V497 VanDerWaalsContact C-O 3.26Å; F492-V497 HydrophobicContact CB-CB 4.08Å; F492-V497 WeakPolarHBondContact O-CA 3.44Å; F492-V497 WeakPolarHBondContact O-CB 3.41Å; F492-V497 PolarHBondContact O-N 2.95Å; H493-V497 PolarHBondContact N-O 2.8Å; L495-V497 VanDerWaalsContact C-N 3.3Å; L495-V497 PolarHBondContact O-N 3.19Å; V497-T501 WeakPolarHBondContact CA-OG1 3.36Å; V497-F502 HydrophobicContact CG1-CB 4.29Å; V497-Y553 HydrophobicContact CG1-CE2 4.15Å; V497-Y553 PolarHBondContact O-OH 2.88Å
498	T	88.5	Confident	90.9	Very high	37 Å²	37	54.3 Å²	54.3	23%	0.227	30%	0.3	C	S	.	.			trans	-119.2	175	176.4	70.5	0	0	0	0	109.2	D500 T501 F502	T498-D500 VanDerWaalsContact C-N 3.27Å; T498-D500 PolarHBondContact O-N 3.08Å; T498-T501 PolarHBondContact N-OG1 3.43Å; T498-T501 PolarHBondContact O-N 3.3Å; T498-T501 PolarHBondContact O-OG1 2.87Å; T498-T501 PolarHBondContact OG1-N 3.15Å; T498-T501 PolarHBondContact OG1-OG1 2.65Å; T498-F502 WeakPolarHBondContact O-CB 3.31Å; T498-F502 PolarHBondContact O-N 2.95Å
499	F	85.1	Confident	90.9	Very high	118 Å²	118	54.8 Å²	54.8	52%	0.518	30%	0.303	S	S	.	.	H	α-helix	trans	-54.5	-43.2	176.6	-177.9	-92.9	0	0	0	112.6	S503	F499-S503 WeakPolarHBondContact O-CB 3.23Å; F499-S503 PolarHBondContact O-N 2.85Å; F499-S503 PolarHBondContact O-OG 3.19Å
500	D	85.8	Confident	90.8	Very high	107 Å²	107	56.4 Å²	56.4	57%	0.572	32%	0.321	S	S	*	.	H	α-helix	trans	-75.2	-44.3	-178	-50.7	-71.4	0	0	0	112.3	T498 F502 S503 N504	T498-D500 VanDerWaalsContact C-N 3.27Å; T498-D500 PolarHBondContact O-N 3.08Å; D500-F502 VanDerWaalsContact C-N 3.33Å; D500-F502 PolarHBondContact O-N 3.32Å; D500-S503 PolarHBondContact O-N 3.15Å; D500-N504 PolarHBondContact O-N 3.44Å; D500-N504 PolarHBondContact O-ND2 3.13Å
501	T	90	Very high	90.6	Very high	53 Å²	53	52.9 Å²	52.9	33%	0.325	30%	0.3	S	S	.	.	H	α-helix	trans	-68.5	-35.1	178.1	62.7	0	0	0	0	111.3	G496 V497 T498 N504 M505	G496-T501 PolarHBondContact O-OG1 3.39Å; V497-T501 WeakPolarHBondContact CA-OG1 3.36Å; T498-T501 PolarHBondContact N-OG1 3.43Å; T498-T501 PolarHBondContact O-N 3.3Å; T498-T501 PolarHBondContact O-OG1 2.87Å; T498-T501 PolarHBondContact OG1-N 3.15Å; T498-T501 PolarHBondContact OG1-OG1 2.65Å; T501-N504 PolarHBondContact O-N 3.08Å; T501-M505 WeakPolarHBondContact O-CB 3.29Å; T501-M505 VanDerWaalsContact O-CG 3.24Å; T501-M505 WeakPolarHBondContact O-CG 3.27Å; T501-M505 PolarHBondContact O-N 3.06Å
502	F	91.7	Very high	90.4	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.009	29%	0.294	C	S	.	.	H	α-helix	trans	-65.3	-38.6	171.6	178.2	-127.4	0	0	0	112.7	V497 T498 D500 N504 M505 K506 F546 L549 Y553	V497-F502 HydrophobicContact CG1-CB 4.29Å; T498-F502 WeakPolarHBondContact O-CB 3.31Å; T498-F502 PolarHBondContact O-N 2.95Å; D500-F502 VanDerWaalsContact C-N 3.33Å; D500-F502 PolarHBondContact O-N 3.32Å; F502-N504 VanDerWaalsContact C-N 3.33Å; F502-N504 PolarHBondContact O-N 3.26Å; F502-M505 HydrophobicContact CD2-CE 4.5Å; F502-M505 WeakPolarHBondContact O-CB 3.46Å; F502-M505 PolarHBondContact O-N 3.25Å; F502-K506 HydrophobicContact CE1-CD 4.17Å; F502-K506 VanDerWaalsContact CE1-CE 3.43Å; F502-K506 HydrophobicContact CE2-CG 4.19Å; F502-K506 HydrophobicContact CZ-CD 4.15Å; F502-K506 HydrophobicContact CZ-CG 4.24Å; F502-K506 PolarHBondContact O-N 3.33Å; F502-F546 HydrophobicContact CE2-CB 4.34Å; F502-F546 AromaticContact CE2-CD2 3.96Å; F502-F546 HydrophobicContact CE2-CD2 3.96Å; F502-F546 HydrophobicContact CE2-CE2 4.43Å; F502-F546 HydrophobicContact CE2-CG 4.05Å; F502-L549 HydrophobicContact CD2-CB 4.17Å; F502-L549 HydrophobicContact CD2-CD1 4.15Å; F502-L549 HydrophobicContact CE1-CB 3.91Å; F502-L549 HydrophobicContact CE2-CB 3.46Å; F502-L549 VanDerWaalsContact CE2-CB 3.46Å; F502-L549 HydrophobicContact CE2-CD1 3.83Å; F502-L549 HydrophobicContact CE2-CG 4.31Å; F502-L549 HydrophobicContact CZ-CB 3.29Å; F502-Y553 HydrophobicContact CB-CD2 4.4Å; F502-Y553 HydrophobicContact CB-CE2 4.31Å; F502-Y553 AromaticContact CD1-CD2 3.46Å; F502-Y553 HydrophobicContact CD1-CD2 3.46Å; F502-Y553 VanDerWaalsContact CD1-CD2 3.46Å; F502-Y553 HydrophobicContact CD1-CE2 4.11Å; F502-Y553 HydrophobicContact CD1-CG 4.17Å; F502-Y553 AromaticContact CE1-CD2 3.87Å; F502-Y553 HydrophobicContact CE1-CD2 3.87Å; F502-Y553 HydrophobicContact CG-CD2 4.03Å; F502-Y553 HydrophobicContact CG-CE2 4.22Å
503	S	90.5	Very high	90.2	Very high	36 Å²	36	54 Å²	54	25%	0.252	31%	0.305	S	S	.	.	H	α-helix	trans	-62.9	-39.8	173.8	-64.5	0	0	0	0	112	F499 D500 K506 Q507	F499-S503 WeakPolarHBondContact O-CB 3.23Å; F499-S503 PolarHBondContact O-N 2.85Å; F499-S503 PolarHBondContact O-OG 3.19Å; D500-S503 PolarHBondContact O-N 3.15Å; S503-K506 PolarHBondContact O-N 2.73Å; S503-Q507 PolarHBondContact O-N 3Å
504	N	91.3	Very high	89.9	Confident	87 Å²	87	52.7 Å²	52.7	47%	0.465	30%	0.299	S	S	.	.	H	α-helix	trans	-68.8	-39.7	172.5	-67	-27.4	0	0	0	112.2	D500 T501 F502 K506 Q507 N508	D500-N504 PolarHBondContact O-N 3.44Å; D500-N504 PolarHBondContact O-ND2 3.13Å; T501-N504 PolarHBondContact O-N 3.08Å; F502-N504 VanDerWaalsContact C-N 3.33Å; F502-N504 PolarHBondContact O-N 3.26Å; N504-K506 VanDerWaalsContact C-N 3.33Å; N504-K506 PolarHBondContact O-N 3.1Å; N504-Q507 PolarHBondContact O-N 3.21Å; N504-N508 PolarHBondContact O-N 2.74Å
505	M	92.6	Very high	89.3	Confident	9 Å²	9	55.2 Å²	55.2	4%	0.044	30%	0.298	C	S	.	.	H	α-helix	trans	-59.9	-40.4	174.1	-75.8	162.5	55.3	0	0	112	F456 T501 F502 Q507 N508 L509 F546	F456-M505 HydrophobicContact CB-CE 3.9Å; F456-M505 HydrophobicContact CD1-CE 3.5Å; F456-M505 HydrophobicContact CD2-CE 4.04Å; F456-M505 HydrophobicContact CE1-CE 3.99Å; F456-M505 HydrophobicContact CE2-CE 4.49Å; F456-M505 HydrophobicContact CG-CE 3.52Å; F456-M505 HydrophobicContact CZ-CE 4.47Å; T501-M505 WeakPolarHBondContact O-CB 3.29Å; T501-M505 VanDerWaalsContact O-CG 3.24Å; T501-M505 WeakPolarHBondContact O-CG 3.27Å; T501-M505 PolarHBondContact O-N 3.06Å; F502-M505 HydrophobicContact CD2-CE 4.5Å; F502-M505 WeakPolarHBondContact O-CB 3.46Å; F502-M505 PolarHBondContact O-N 3.25Å; M505-Q507 PolarHBondContact O-N 2.84Å; M505-N508 WeakPolarHBondContact O-CB 3.11Å; M505-N508 PolarHBondContact O-N 2.96Å; M505-L509 PolarHBondContact O-N 3.24Å; M505-F546 HydrophobicContact CB-CE2 3.94Å; M505-F546 HydrophobicContact CB-CZ 3.95Å; M505-F546 HydrophobicContact CE-CE1 4.07Å; M505-F546 HydrophobicContact CE-CZ 3.74Å
506	K	91.9	Very high	88.8	Confident	73 Å²	73	55.7 Å²	55.7	32%	0.317	30%	0.299	S	S	.	.	H	α-helix	trans	-58.3	-45.2	173.6	-81.2	169.4	162.5	171.2	0	111.9	F502 S503 N504 N508 L509 A510 F546 D550	F502-K506 HydrophobicContact CE1-CD 4.17Å; F502-K506 VanDerWaalsContact CE1-CE 3.43Å; F502-K506 HydrophobicContact CE2-CG 4.19Å; F502-K506 HydrophobicContact CZ-CD 4.15Å; F502-K506 HydrophobicContact CZ-CG 4.24Å; F502-K506 PolarHBondContact O-N 3.33Å; S503-K506 PolarHBondContact O-N 2.73Å; N504-K506 VanDerWaalsContact C-N 3.33Å; N504-K506 PolarHBondContact O-N 3.1Å; K506-N508 VanDerWaalsContact C-N 3.34Å; K506-L509 PolarHBondContact O-N 2.79Å; K506-A510 PolarHBondContact O-N 2.88Å; K506-F546 HydrophobicContact CG-CD2 4.1Å; K506-D550 IonicContact NZ-OD1 3.75Å; K506-D550 PolarHBondContact NZ-OD1 3.27Å
507	Q	92.4	Very high	88.3	Confident	123 Å²	123	58.6 Å²	58.6	58%	0.575	30%	0.301	S	S	*	.	H	α-helix	trans	-65.2	-37.6	176.6	-64.3	176.5	23.1	0	0	112	S503 N504 M505 S511	S503-Q507 PolarHBondContact O-N 3Å; N504-Q507 PolarHBondContact O-N 3.21Å; M505-Q507 PolarHBondContact O-N 2.84Å; Q507-S511 WeakPolarHBondContact O-CB 3.33Å; Q507-S511 PolarHBondContact O-N 3.25Å; Q507-S511 PolarHBondContact O-OG 3.15Å
508	N	93.1	Very high	87.6	Confident	34 Å²	34	64.6 Å²	64.6	18%	0.182	32%	0.323	C	S	.	.	H	α-helix	trans	-63.8	-43.6	172.7	-74.3	-26.4	0	0	0	112	K449 S452 N504 M505 K506 S511 V512	K449-N508 HydrophobicContact CB-CB 4.2Å; S452-N508 VanDerWaalsContact CB-ND2 3.29Å; S452-N508 WeakPolarHBondContact CB-ND2 3.48Å; S452-N508 PolarHBondContact OG-ND2 3.21Å; S452-N508 VanDerWaalsContact OG-ND2 3.15Å; N504-N508 PolarHBondContact O-N 2.74Å; M505-N508 WeakPolarHBondContact O-CB 3.11Å; M505-N508 PolarHBondContact O-N 2.96Å; K506-N508 VanDerWaalsContact C-N 3.34Å; N508-S511 CarbonylContact O-C 3.49Å; N508-S511 WeakPolarHBondContact O-CB 3.45Å; N508-S511 PolarHBondContact O-N 2.96Å; N508-V512 WeakPolarHBondContact O-CB 3.4Å; N508-V512 VanDerWaalsContact O-CG2 3.27Å; N508-V512 WeakPolarHBondContact O-CG2 3.45Å; N508-V512 PolarHBondContact O-N 3.37Å
509	L	93	Very high	86.6	Confident	11 Å²	11	67.6 Å²	67.6	6%	0.058	34%	0.342	C	S	.	.	H	α-helix	trans	-63.9	-47.6	176.7	-179.9	59.9	0	0	0	111.7	L453 M505 K506 S511 V512 L513 I534 L542 F546	L453-L509 HydrophobicContact CD1-CB 4.44Å; L453-L509 HydrophobicContact CD1-CD1 4.3Å; L453-L509 HydrophobicContact CD2-CB 4.27Å; M505-L509 PolarHBondContact O-N 3.24Å; K506-L509 PolarHBondContact O-N 2.79Å; L509-S511 VanDerWaalsContact C-N 3.32Å; L509-S511 PolarHBondContact O-N 2.84Å; L509-V512 PolarHBondContact O-N 3.46Å; L509-L513 HydrophobicContact CD1-CD1 4.14Å; L509-L513 HydrophobicContact CD1-CG 4.29Å; L509-L513 HydrophobicContact CG-CD1 4.22Å; L509-L513 WeakPolarHBondContact O-CG 3.39Å; L509-L513 PolarHBondContact O-N 3.31Å; L509-I534 HydrophobicContact CD1-CD1 4.47Å; L509-L542 HydrophobicContact CD1-CB 3.93Å; L509-L542 HydrophobicContact CD1-CD1 3.91Å; L509-L542 HydrophobicContact CD2-CB 4.2Å; L509-F546 HydrophobicContact CB-CD2 4.36Å; L509-F546 HydrophobicContact CB-CE2 3.92Å; L509-F546 HydrophobicContact CD2-CB 4.4Å; L509-F546 HydrophobicContact CD2-CD1 4.49Å; L509-F546 HydrophobicContact CD2-CD2 3.52Å; L509-F546 HydrophobicContact CD2-CE2 3.8Å; L509-F546 HydrophobicContact CD2-CG 3.9Å; L509-F546 HydrophobicContact CD2-CZ 4.41Å; L509-F546 HydrophobicContact CG-CE2 4.5Å
510	A	91.6	Very high	85.7	Confident	62 Å²	62	63.1 Å²	63.1	51%	0.512	33%	0.328	S	S	.	.	H	α-helix	trans	-56.9	-47	175.2	0	0	0	0	0	111.3	K506 V512 L513 E514	K506-A510 PolarHBondContact O-N 2.88Å; A510-V512 VanDerWaalsContact C-N 3.26Å; A510-V512 PolarHBondContact O-N 3.08Å; A510-L513 PolarHBondContact O-N 2.75Å; A510-E514 PolarHBondContact O-N 2.82Å
511	S	88.8	Confident	84.6	Confident	21 Å²	21	64.5 Å²	64.5	15%	0.147	34%	0.335	C	S	.	.	H	α-helix	trans	-64.6	-21.2	175.1	-67.3	0	0	0	0	115.3	R446 K449 Q507 N508 L509	R446-S511 WeakPolarHBondContact CD-O 3.15Å; R446-S511 PolarHBondContact NH1-O 3.42Å; K449-S511 PolarHBondContact NZ-OG 2.8Å; Q507-S511 WeakPolarHBondContact O-CB 3.33Å; Q507-S511 PolarHBondContact O-N 3.25Å; Q507-S511 PolarHBondContact O-OG 3.15Å; N508-S511 CarbonylContact O-C 3.49Å; N508-S511 WeakPolarHBondContact O-CB 3.45Å; N508-S511 PolarHBondContact O-N 2.96Å; L509-S511 VanDerWaalsContact C-N 3.32Å; L509-S511 PolarHBondContact O-N 2.84Å
512	V	89.8	Confident	83.1	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-85.6	-29.1	177.1	155.6	0	0	0	0	110.7	R446 K449 H450 L453 N508 L509 A510 I533 I534	R446-V512 PolarHBondContact NH1-O 3.37Å; K449-V512 HydrophobicContact CB-CG2 4.02Å; H450-V512 VanDerWaalsContact CD2-CG2 3.5Å; H450-V512 WeakPolarHBondContact CD2-CG2 3.27Å; H450-V512 VanDerWaalsContact NE2-CG1 3.3Å; H450-V512 WeakPolarHBondContact NE2-CG1 3.2Å; L453-V512 HydrophobicContact CD1-CB 4.29Å; L453-V512 HydrophobicContact CD1-CG1 4.42Å; L453-V512 HydrophobicContact CD1-CG2 4.04Å; N508-V512 WeakPolarHBondContact O-CB 3.4Å; N508-V512 VanDerWaalsContact O-CG2 3.27Å; N508-V512 WeakPolarHBondContact O-CG2 3.45Å; N508-V512 PolarHBondContact O-N 3.37Å; L509-V512 PolarHBondContact O-N 3.46Å; A510-V512 VanDerWaalsContact C-N 3.26Å; A510-V512 PolarHBondContact O-N 3.08Å; V512-I533 WeakPolarHBondContact O-CG2 3.36Å; V512-I534 HydrophobicContact CG1-CD1 3.73Å; V512-I534 HydrophobicContact CG1-CG1 3.77Å; V512-I534 HydrophobicContact CG1-CG2 4.08Å
513	L	87.7	Confident	81.6	Confident	44 Å²	44	72.5 Å²	72.5	23%	0.23	38%	0.378	C	S	.	.	H	α-helix	trans	-84.7	-15.8	174.5	-61.9	175.6	0	0	0	113.6	L509 A510 I534 T539	L509-L513 HydrophobicContact CD1-CD1 4.14Å; L509-L513 HydrophobicContact CD1-CG 4.29Å; L509-L513 HydrophobicContact CG-CD1 4.22Å; L509-L513 WeakPolarHBondContact O-CG 3.39Å; L509-L513 PolarHBondContact O-N 3.31Å; A510-L513 PolarHBondContact O-N 2.75Å; L513-I534 HydrophobicContact CD2-CD1 3.86Å; L513-I534 HydrophobicContact CD2-CG1 3.87Å; L513-T539 HydrophobicContact CD1-CG2 4.1Å; L513-T539 HydrophobicContact CD2-CG2 3.61Å; L513-T539 VanDerWaalsContact CD2-OG1 3.32Å; L513-T539 WeakPolarHBondContact CD2-OG1 3.5Å
514	E	84.9	Confident	80.4	Confident	103 Å²	103	73.9 Å²	73.9	48%	0.481	40%	0.398	S	S	.	.	S	Bend	trans	-60.5	131.8	176	-173.7	165.8	-149.8	0	0	112	R446 A510 E516	R446-E514 VanDerWaalsContact CZ-O 3.23Å; R446-E514 PolarHBondContact NH1-O 3.21Å; R446-E514 PolarHBondContact NH2-O 3.01Å; A510-E514 PolarHBondContact O-N 2.82Å; E514-E516 PolarHBondContact O-N 2.97Å
515	K	79.9	Confident	79.2	Confident	146 Å²	146	77.4 Å²	77.4	64%	0.635	41%	0.409	S	S	*	.			trans	-88.7	106	176	-63.9	-177.8	-176.6	178.9	0	109.1
516	E	79.3	Confident	78.2	Confident	57 Å²	57	84.6 Å²	84.6	27%	0.266	44%	0.442	S	S	.	.			trans	-103.7	142.2	170.7	-67.3	166.8	155.8	0	0	108.9	R446 E514 R518 V531	R446-E516 IonicContact CZ-OE2 3.54Å; R446-E516 VanDerWaalsContact CZ-OE2 3.25Å; R446-E516 IonicContact NE-OE1 3.71Å; R446-E516 IonicContact NE-OE2 3.54Å; R446-E516 PolarHBondContact NE-OE2 3Å; R446-E516 IonicContact NH2-OE2 2.83Å; R446-E516 PolarHBondContact NH2-OE2 3.22Å; E514-E516 PolarHBondContact O-N 2.97Å; E516-R518 IonicContact OE1-NH2 3.67Å; E516-R518 IonicContact OE2-CZ 3.62Å; E516-R518 IonicContact OE2-NE 2.81Å; E516-R518 IonicContact OE2-NH2 2.65Å; E516-R518 PolarHBondContact OE2-NH2 3.03Å; E516-V531 HydrophobicContact CB-CB 4.26Å; E516-V531 HydrophobicContact CB-CG2 3.78Å; E516-V531 WeakPolarHBondContact O-CG2 3.4Å; E516-V531 PolarHBondContact O-N 3.02Å
517	E	78.1	Confident	77.1	Confident	105 Å²	105	85.4 Å²	85.4	49%	0.491	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	140.3	163.8	-77.5	167.9	-177.5	0	0	108.6	M528 Q530	E517-M528 HydrophobicContact CB-CE 4.07Å; E517-Q530 HydrophobicContact CG-CB 4.47Å; E517-Q530 HydrophobicContact CG-CG 3.45Å; E517-Q530 VanDerWaalsContact CG-CG 3.45Å; E517-Q530 WeakPolarHBondContact OE1-CG 3.5Å; E517-Q530 PolarHBondContact OE1-NE2 2.7Å
518	R	72.9	Confident	76.1	Confident	128 Å²	128	85.3 Å²	85.3	48%	0.483	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	139.4	178.9	-64.7	-177	-170.9	-177	3.6	109.4	E516 G520 V529 V531	E516-R518 IonicContact OE1-NH2 3.67Å; E516-R518 IonicContact OE2-CZ 3.62Å; E516-R518 IonicContact OE2-NE 2.81Å; E516-R518 IonicContact OE2-NH2 2.65Å; E516-R518 PolarHBondContact OE2-NH2 3.03Å; R518-G520 PolarHBondContact O-N 3.34Å; R518-V529 PolarHBondContact N-O 3.38Å; R518-V529 PolarHBondContact O-N 3.25Å; R518-V531 HydrophobicContact CB-CG2 4.49Å; R518-V531 HydrophobicContact CG-CG2 3.68Å; R518-V531 VanDerWaalsContact NE-CG2 3.28Å
519	V	68	Low	75.3	Confident	101 Å²	101	86.8 Å²	86.8	61%	0.612	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	121.4	171.5	-175.8	0	0	0	0	108.2	E526 D527	V519-E526 HydrophobicContact CG1-CB 3.71Å; V519-E526 HydrophobicContact CG1-CG 3.91Å; V519-D527 WeakPolarHBondContact CA-O 3.49Å
520	G	66.3	Low	74.5	Confident	23 Å²	23	91.7 Å²	91.7	24%	0.237	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	153.5	175.3	0	0	0	0	0	110.5	R518 V522 D527	R518-G520 PolarHBondContact O-N 3.34Å; G520-V522 PolarHBondContact O-N 3.33Å; G520-D527 PolarHBondContact N-O 3.23Å; G520-D527 PolarHBondContact O-N 3.08Å
521	L	63.4	Low	74	Confident	136 Å²	136	89.6 Å²	89.6	71%	0.712	47%	0.465	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	108.1	171.3	-102.9	70.2	0	0	0	109.8	K525 E526	L521-K525 CarbonylContact C-O 3.39Å; L521-K525 WeakPolarHBondContact CA-O 3.35Å; L521-E526 HydrophobicContact CD1-CG 4.17Å
522	V	58.7	Low	73.7	Confident	58 Å²	58	91.9 Å²	91.9	35%	0.352	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	118.8	169.9	-176.3	0	0	0	0	107.6	G520 G524 K525 D527 V529	G520-V522 PolarHBondContact O-N 3.33Å; V522-G524 PolarHBondContact O-N 3.08Å; V522-G524 VanDerWaalsContact O-N 3.12Å; V522-K525 PolarHBondContact N-O 2.66Å; V522-K525 PolarHBondContact O-N 3.29Å; V522-D527 HydrophobicContact CB-CB 4.03Å; V522-D527 HydrophobicContact CG2-CB 3.98Å; V522-V529 HydrophobicContact CG2-CG2 3.76Å
523	N	59.1	Low	73.6	Confident	165 Å²	165	94.3 Å²	94.3	88%	0.882	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	35.1	-178	-58.9	-25.9	0	0	0	114.3	K525	N523-K525 VanDerWaalsContact C-N 3.32Å; N523-K525 PolarHBondContact O-N 3.37Å
524	G	65.7	Low	73.7	Confident	65 Å²	65	92.5 Å²	92.5	67%	0.67	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.4	10.3	179.8	0	0	0	0	0	115.3	V522	V522-G524 PolarHBondContact O-N 3.08Å; V522-G524 VanDerWaalsContact O-N 3.12Å
525	K	66.5	Low	73.9	Confident	161 Å²	161	89.2 Å²	89.2	70%	0.7	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	148.9	169	-65.6	-177.2	179.8	-179.7	0	110.1	L521 V522 N523 D527	L521-K525 CarbonylContact C-O 3.39Å; L521-K525 WeakPolarHBondContact CA-O 3.35Å; V522-K525 PolarHBondContact N-O 2.66Å; V522-K525 PolarHBondContact O-N 3.29Å; N523-K525 VanDerWaalsContact C-N 3.32Å; N523-K525 PolarHBondContact O-N 3.37Å; K525-D527 PolarHBondContact O-N 3.21Å
526	E	70.3	Confident	74.1	Confident	160 Å²	160	83.9 Å²	83.9	75%	0.748	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	120.9	166.6	-70	-179.2	173.2	0	0	109	V519 L521	V519-E526 HydrophobicContact CG1-CB 3.71Å; V519-E526 HydrophobicContact CG1-CG 3.91Å; L521-E526 HydrophobicContact CD1-CG 4.17Å
527	D	70.4	Confident	74.5	Confident	90 Å²	90	84.7 Å²	84.7	48%	0.481	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	155.8	179.2	-158	-7.8	0	0	0	110	V519 G520 V522 K525 V529	V519-D527 WeakPolarHBondContact CA-O 3.49Å; G520-D527 PolarHBondContact N-O 3.23Å; G520-D527 PolarHBondContact O-N 3.08Å; V522-D527 HydrophobicContact CB-CB 4.03Å; V522-D527 HydrophobicContact CG2-CB 3.98Å; K525-D527 PolarHBondContact O-N 3.21Å; D527-V529 PolarHBondContact O-N 2.96Å
528	M	70.9	Confident	75.2	Confident	121 Å²	121	79.8 Å²	79.8	60%	0.596	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	93.8	-173.9	-66.5	-172	68.9	0	0	110.8	E517	E517-M528 HydrophobicContact CB-CE 4.07Å
529	V	75.2	Confident	76.2	Confident	66 Å²	66	74.9 Å²	74.9	40%	0.4	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	120.7	-179	-174.2	0	0	0	0	109.8	R518 V522 D527 V531	R518-V529 PolarHBondContact N-O 3.38Å; R518-V529 PolarHBondContact O-N 3.25Å; V522-V529 HydrophobicContact CG2-CG2 3.76Å; D527-V529 PolarHBondContact O-N 2.96Å; V529-V531 PolarHBondContact O-N 3.18Å
530	Q	77.7	Confident	77.3	Confident	114 Å²	114	73.4 Å²	73.4	53%	0.533	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	131.1	170.9	-79.9	-177.5	6.2	0	0	110.6	E517 P532	E517-Q530 HydrophobicContact CG-CB 4.47Å; E517-Q530 HydrophobicContact CG-CG 3.45Å; E517-Q530 VanDerWaalsContact CG-CG 3.45Å; E517-Q530 WeakPolarHBondContact OE1-CG 3.5Å; E517-Q530 PolarHBondContact OE1-NE2 2.7Å; Q530-P532 WeakPolarHBondContact O-CD 3.37Å
531	V	80.5	Confident	78.7	Confident	17 Å²	17	73.2 Å²	73.2	10%	0.103	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-66.2	125.7	174.5	-179.4	0	0	0	0	108.6	I445 E516 R518 V529 I533	I445-V531 HydrophobicContact CG2-CG1 3.8Å; E516-V531 HydrophobicContact CB-CB 4.26Å; E516-V531 HydrophobicContact CB-CG2 3.78Å; E516-V531 WeakPolarHBondContact O-CG2 3.4Å; E516-V531 PolarHBondContact O-N 3.02Å; R518-V531 HydrophobicContact CB-CG2 4.49Å; R518-V531 HydrophobicContact CG-CG2 3.68Å; R518-V531 VanDerWaalsContact NE-CG2 3.28Å; V529-V531 PolarHBondContact O-N 3.18Å; V531-I533 PolarHBondContact O-N 2.81Å
532	P	81.8	Confident	80.2	Confident	70 Å²	70	66.7 Å²	66.7	46%	0.455	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-59.9	136.7	178.7	-23.7	33.7	0	0	0	111.8	M440 I445 Q530	M440-P532 HydrophobicContact CE-CB 4.34Å; M440-P532 HydrophobicContact SD-CB 4.39Å; I445-P532 HydrophobicContact CD1-CB 3.97Å; I445-P532 HydrophobicContact CD1-CG 3.81Å; Q530-P532 WeakPolarHBondContact O-CD 3.37Å
533	I	87.8	Confident	81.9	Confident	51 Å²	51	66.5 Å²	66.5	26%	0.262	37%	0.373	S	S	.	.			trans	-115.8	156.3	175.9	61.3	172.1	0	0	0	109.7	M440 V512 V531	M440-I533 WeakPolarHBondContact CE-O 3.46Å; V512-I533 WeakPolarHBondContact O-CG2 3.36Å; V531-I533 PolarHBondContact O-N 2.81Å
534	I	90.1	Very high	83.7	Confident	6 Å²	6	60.1 Å²	60.1	3%	0.031	34%	0.339	C	S	.	.			trans	-60.3	153	178	53.6	168.1	0	0	0	113.3	E436 L437 M440 L509 V512 L513 T538 L542	E436-I534 HydrophobicContact CG-CG2 4.49Å; L437-I534 HydrophobicContact CD2-CG2 4Å; M440-I534 HydrophobicContact CE-CG2 4.3Å; M440-I534 HydrophobicContact CG-CG2 4.32Å; L509-I534 HydrophobicContact CD1-CD1 4.47Å; V512-I534 HydrophobicContact CG1-CD1 3.73Å; V512-I534 HydrophobicContact CG1-CG1 3.77Å; V512-I534 HydrophobicContact CG1-CG2 4.08Å; L513-I534 HydrophobicContact CD2-CD1 3.86Å; L513-I534 HydrophobicContact CD2-CG1 3.87Å; I534-T538 HydrophobicContact CB-CG2 4.15Å; I534-T538 HydrophobicContact CD1-CG2 4.03Å; I534-T538 HydrophobicContact CG2-CG2 4.38Å; I534-L542 HydrophobicContact CD1-CD1 3.79Å
535	S	89.1	Confident	85.1	Confident	34 Å²	34	57.1 Å²	57.1	24%	0.238	31%	0.307	C	S	.	.			trans	-58.9	160	-178.5	69.8	0	0	0	0	113.4	E436 S537 T538 T539	E436-S535 VanDerWaalsContact OE1-CB 3.3Å; E436-S535 WeakPolarHBondContact OE1-CB 3.13Å; E436-S535 PolarHBondContact OE1-N 2.8Å; E436-S535 VanDerWaalsContact OE2-CB 3.25Å; E436-S535 WeakPolarHBondContact OE2-CB 3.44Å; E436-S535 PolarHBondContact OE2-N 3.06Å; E436-S535 PolarHBondContact OE2-OG 3.11Å; S535-S537 PolarHBondContact O-N 2.94Å; S535-S537 PolarHBondContact OG-OG 3.21Å; S535-T538 PolarHBondContact O-N 3.39Å; S535-T538 WeakPolarHBondContact OG-CB 3.38Å; S535-T538 PolarHBondContact OG-N 3.31Å; S535-T538 VanDerWaalsContact OG-N 3.12Å; S535-T538 PolarHBondContact OG-OG1 2.93Å; S535-T539 VanDerWaalsContact O-CB 3.27Å; S535-T539 WeakPolarHBondContact O-CB 3.47Å; S535-T539 PolarHBondContact O-N 2.83Å; S535-T539 PolarHBondContact O-OG1 3.2Å
536	A	84.4	Confident	86.5	Confident	34 Å²	34	50 Å²	50	28%	0.281	28%	0.277	S	S	.	.	H	α-helix	trans	-62.7	-32.1	175.2	0	0	0	0	0	112.4	K314 T540	K314-A536 HydrophobicContact CD-CB 4.33Å; A536-T540 WeakPolarHBondContact O-CB 3.41Å; A536-T540 PolarHBondContact O-N 3.12Å; A536-T540 VanDerWaalsContact O-N 3.12Å; A536-T540 PolarHBondContact O-OG1 2.94Å
537	S	88	Confident	87.7	Confident	73 Å²	73	43.3 Å²	43.3	51%	0.51	25%	0.245	S	C	.	.	H	α-helix	trans	-62.9	-57.7	172.7	23.1	0	0	0	0	111.7	S535 T539 T540 V541	S535-S537 PolarHBondContact O-N 2.94Å; S535-S537 PolarHBondContact OG-OG 3.21Å; S537-T539 VanDerWaalsContact C-N 3.34Å; S537-T539 PolarHBondContact O-N 2.75Å; S537-T540 WeakPolarHBondContact O-CA 3.46Å; S537-T540 WeakPolarHBondContact O-CB 3.46Å; S537-T540 PolarHBondContact O-N 3.46Å; S537-V541 PolarHBondContact O-N 2.75Å
538	T	93.2	Very high	88.9	Confident	3 Å²	3	39 Å²	39	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-62.8	-40.3	-179.4	-63.6	0	0	0	0	111.8	T433 E436 L437 I534 S535 T540 V541 L542	T433-T538 HydrophobicContact CG2-CG2 3.78Å; E436-T538 WeakPolarHBondContact OE2-CB 3.41Å; E436-T538 PolarHBondContact OE2-OG1 2.85Å; L437-T538 HydrophobicContact CG-CG2 4.5Å; I534-T538 HydrophobicContact CB-CG2 4.15Å; I534-T538 HydrophobicContact CD1-CG2 4.03Å; I534-T538 HydrophobicContact CG2-CG2 4.38Å; S535-T538 PolarHBondContact O-N 3.39Å; S535-T538 WeakPolarHBondContact OG-CB 3.38Å; S535-T538 PolarHBondContact OG-N 3.31Å; S535-T538 VanDerWaalsContact OG-N 3.12Å; S535-T538 PolarHBondContact OG-OG1 2.93Å; T538-T540 VanDerWaalsContact C-N 3.25Å; T538-T540 PolarHBondContact O-N 3.41Å; T538-V541 PolarHBondContact O-N 3.33Å; T538-L542 HydrophobicContact CG2-CD1 3.85Å; T538-L542 HydrophobicContact CG2-CG 4.39Å; T538-L542 WeakPolarHBondContact O-CB 3.38Å; T538-L542 WeakPolarHBondContact O-CG 3.17Å; T538-L542 PolarHBondContact O-N 2.67Å
539	T	92.2	Very high	90	Very high	25 Å²	25	33.2 Å²	33.2	15%	0.153	19%	0.194	C	C	.	.	H	α-helix	trans	-54.7	-42.2	170.2	-60.7	0	0	0	0	111.9	L513 S535 S537 K543	L513-T539 HydrophobicContact CD1-CG2 4.1Å; L513-T539 HydrophobicContact CD2-CG2 3.61Å; L513-T539 VanDerWaalsContact CD2-OG1 3.32Å; L513-T539 WeakPolarHBondContact CD2-OG1 3.5Å; S535-T539 VanDerWaalsContact O-CB 3.27Å; S535-T539 WeakPolarHBondContact O-CB 3.47Å; S535-T539 PolarHBondContact O-N 2.83Å; S535-T539 PolarHBondContact O-OG1 3.2Å; S537-T539 VanDerWaalsContact C-N 3.34Å; S537-T539 PolarHBondContact O-N 2.75Å; T539-K543 HydrophobicContact CG2-CD 4.5Å; T539-K543 WeakPolarHBondContact O-CB 3.34Å; T539-K543 WeakPolarHBondContact O-CG 3.24Å; T539-K543 PolarHBondContact O-N 3.3Å
540	T	91.8	Very high	90.9	Very high	70 Å²	70	32.3 Å²	32.3	43%	0.429	19%	0.187	S	C	.	.	H	α-helix	trans	-71.7	-43	-178	-57.4	0	0	0	0	111.3	A536 S537 T538 N544	A536-T540 WeakPolarHBondContact O-CB 3.41Å; A536-T540 PolarHBondContact O-N 3.12Å; A536-T540 VanDerWaalsContact O-N 3.12Å; A536-T540 PolarHBondContact O-OG1 2.94Å; S537-T540 WeakPolarHBondContact O-CA 3.46Å; S537-T540 WeakPolarHBondContact O-CB 3.46Å; S537-T540 PolarHBondContact O-N 3.46Å; T538-T540 VanDerWaalsContact C-N 3.25Å; T538-T540 PolarHBondContact O-N 3.41Å; T540-N544 WeakPolarHBondContact CG2-ND2 3.43Å; T540-N544 PolarHBondContact O-N 3.46Å; T540-N544 VanDerWaalsContact O-N 3.08Å; T540-N544 PolarHBondContact O-ND2 3.1Å
541	V	95.4	Very high	91.7	Very high	18 Å²	18	26.9 Å²	26.9	11%	0.109	16%	0.162	C	C	.	.	H	α-helix	trans	-59.3	-51.6	175.1	171.8	0	0	0	0	110.7	L425 T433 S537 T538 K543 N544 L545	L425-V541 HydrophobicContact CD1-CG1 3.79Å; T433-V541 HydrophobicContact CG2-CG1 4.37Å; S537-V541 PolarHBondContact O-N 2.75Å; T538-V541 PolarHBondContact O-N 3.33Å; V541-K543 PolarHBondContact O-N 2.67Å; V541-N544 PolarHBondContact O-N 2.88Å; V541-L545 WeakPolarHBondContact O-CB 3.39Å; V541-L545 PolarHBondContact O-N 2.74Å
542	L	95.9	Very high	92.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.6	-43.5	-178.9	-67.3	171.9	0	0	0	112	T433 L437 L509 I534 T538 L545 F546	T433-L542 HydrophobicContact CG2-CD2 4.01Å; T433-L542 HydrophobicContact CG2-CG 4.1Å; L437-L542 HydrophobicContact CD1-CD1 4.35Å; L437-L542 HydrophobicContact CD2-CD1 4.49Å; L509-L542 HydrophobicContact CD1-CB 3.93Å; L509-L542 HydrophobicContact CD1-CD1 3.91Å; L509-L542 HydrophobicContact CD2-CB 4.2Å; I534-L542 HydrophobicContact CD1-CD1 3.79Å; T538-L542 HydrophobicContact CG2-CD1 3.85Å; T538-L542 HydrophobicContact CG2-CG 4.39Å; T538-L542 WeakPolarHBondContact O-CB 3.38Å; T538-L542 WeakPolarHBondContact O-CG 3.17Å; T538-L542 PolarHBondContact O-N 2.67Å; L542-L545 PolarHBondContact O-N 2.79Å; L542-F546 HydrophobicContact CD2-CE1 4.46Å; L542-F546 VanDerWaalsContact O-CB 3.28Å; L542-F546 WeakPolarHBondContact O-CB 3.27Å; L542-F546 WeakPolarHBondContact O-CD1 3.46Å; L542-F546 WeakPolarHBondContact O-CG 3.38Å; L542-F546 PolarHBondContact O-N 3.31Å
543	K	94.9	Very high	92.7	Very high	53 Å²	53	23.4 Å²	23.4	23%	0.23	14%	0.137	C	C	.	.	H	α-helix	trans	-63.1	-43.5	177.7	-82.5	-162.9	164.4	-160.6	0	113.4	I391 E394 T539 V541 F546 M547	I391-K543 HydrophobicContact CD1-CB 4.37Å; E394-K543 IonicContact OE1-NZ 2.93Å; E394-K543 PolarHBondContact OE1-NZ 3.31Å; E394-K543 IonicContact OE2-NZ 3.76Å; E394-K543 PolarHBondContact OE2-NZ 3.06Å; T539-K543 HydrophobicContact CG2-CD 4.5Å; T539-K543 WeakPolarHBondContact O-CB 3.34Å; T539-K543 WeakPolarHBondContact O-CG 3.24Å; T539-K543 PolarHBondContact O-N 3.3Å; V541-K543 PolarHBondContact O-N 2.67Å; K543-F546 PolarHBondContact O-N 3.36Å; K543-M547 WeakPolarHBondContact O-CB 3.48Å; K543-M547 PolarHBondContact O-N 2.84Å
544	N	96	Very high	92.8	Very high	32 Å²	32	23.6 Å²	23.6	17%	0.171	14%	0.135	C	C	.	.	H	α-helix	trans	-67.9	-41.2	178.9	-78.6	-86.9	0	0	0	112.1	I391 Y423 T540 V541 F546 M547 V548	I391-N544 HydrophobicContact CD1-CB 4.43Å; Y423-N544 HydrophobicContact CD1-CB 3.83Å; Y423-N544 HydrophobicContact CD2-CB 3.47Å; Y423-N544 VanDerWaalsContact CD2-CB 3.47Å; Y423-N544 HydrophobicContact CE1-CB 3.81Å; Y423-N544 HydrophobicContact CE2-CB 3.48Å; Y423-N544 VanDerWaalsContact CE2-CB 3.48Å; Y423-N544 HydrophobicContact CG-CB 3.67Å; T540-N544 WeakPolarHBondContact CG2-ND2 3.43Å; T540-N544 PolarHBondContact O-N 3.46Å; T540-N544 VanDerWaalsContact O-N 3.08Å; T540-N544 PolarHBondContact O-ND2 3.1Å; V541-N544 PolarHBondContact O-N 2.88Å; N544-F546 VanDerWaalsContact C-N 3.33Å; N544-F546 PolarHBondContact O-N 2.96Å; N544-M547 WeakPolarHBondContact O-CB 3.45Å; N544-M547 PolarHBondContact O-N 3.11Å; N544-V548 PolarHBondContact O-N 2.9Å
545	L	95.6	Very high	92.4	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-62.9	-40.9	175	-175.1	54	0	0	0	111.3	Y423 L425 F456 L460 V541 L542 V548 L549 F610	Y423-L545 HydrophobicContact CD1-CB 4.45Å; Y423-L545 HydrophobicContact CE1-CB 4.24Å; L425-L545 HydrophobicContact CD2-CD2 4.44Å; F456-L545 HydrophobicContact CE1-CD2 3.52Å; F456-L545 HydrophobicContact CE1-CG 4.06Å; F456-L545 HydrophobicContact CZ-CD2 3.79Å; F456-L545 HydrophobicContact CZ-CG 4.14Å; L460-L545 HydrophobicContact CD2-CD1 4.47Å; L460-L545 HydrophobicContact CD2-CD2 3.81Å; V541-L545 WeakPolarHBondContact O-CB 3.39Å; V541-L545 PolarHBondContact O-N 2.74Å; L542-L545 PolarHBondContact O-N 2.79Å; L545-V548 PolarHBondContact O-N 2.96Å; L545-L549 HydrophobicContact CG-CD1 4.42Å; L545-L549 VanDerWaalsContact O-CG 3.3Å; L545-L549 WeakPolarHBondContact O-CG 3.43Å; L545-L549 PolarHBondContact O-N 2.96Å; L545-F610 HydrophobicContact CD1-CE2 3.93Å; L545-F610 HydrophobicContact CD1-CZ 4.02Å
546	F	95.5	Very high	92.2	Very high	13 Å²	13	33.1 Å²	33.1	6%	0.057	19%	0.193	C	C	.	.	H	α-helix	trans	-73.5	-27.8	178.2	-79.8	40.9	0	0	0	112.9	L453 F456 F502 M505 K506 L509 L542 K543 N544 L549 D550	L453-F546 HydrophobicContact CD2-CE2 4.22Å; L453-F546 HydrophobicContact CD2-CZ 3.62Å; F456-F546 HydrophobicContact CD1-CE1 4.18Å; F456-F546 AromaticContact CE1-CE1 3.95Å; F456-F546 HydrophobicContact CE1-CE1 3.95Å; F502-F546 HydrophobicContact CE2-CB 4.34Å; F502-F546 AromaticContact CE2-CD2 3.96Å; F502-F546 HydrophobicContact CE2-CD2 3.96Å; F502-F546 HydrophobicContact CE2-CE2 4.43Å; F502-F546 HydrophobicContact CE2-CG 4.05Å; M505-F546 HydrophobicContact CB-CE2 3.94Å; M505-F546 HydrophobicContact CB-CZ 3.95Å; M505-F546 HydrophobicContact CE-CE1 4.07Å; M505-F546 HydrophobicContact CE-CZ 3.74Å; K506-F546 HydrophobicContact CG-CD2 4.1Å; L509-F546 HydrophobicContact CB-CD2 4.36Å; L509-F546 HydrophobicContact CB-CE2 3.92Å; L509-F546 HydrophobicContact CD2-CB 4.4Å; L509-F546 HydrophobicContact CD2-CD1 4.49Å; L509-F546 HydrophobicContact CD2-CD2 3.52Å; L509-F546 HydrophobicContact CD2-CE2 3.8Å; L509-F546 HydrophobicContact CD2-CG 3.9Å; L509-F546 HydrophobicContact CD2-CZ 4.41Å; L509-F546 HydrophobicContact CG-CE2 4.5Å; L542-F546 HydrophobicContact CD2-CE1 4.46Å; L542-F546 VanDerWaalsContact O-CB 3.28Å; L542-F546 WeakPolarHBondContact O-CB 3.27Å; L542-F546 WeakPolarHBondContact O-CD1 3.46Å; L542-F546 WeakPolarHBondContact O-CG 3.38Å; L542-F546 PolarHBondContact O-N 3.31Å; K543-F546 PolarHBondContact O-N 3.36Å; N544-F546 VanDerWaalsContact C-N 3.33Å; N544-F546 PolarHBondContact O-N 2.96Å; F546-L549 HydrophobicContact CD1-CD1 4.43Å; F546-D550 WeakPolarHBondContact O-CB 3.31Å; F546-D550 PolarHBondContact O-N 3.38Å
547	M	95.3	Very high	92.3	Very high	18 Å²	18	33.4 Å²	33.4	9%	0.089	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-46.5	171.1	177.3	-168	74.6	0	0	111.2	P390 I391 K543 N544 D550 F551	P390-M547 HydrophobicContact CG-CG 4.31Å; P390-M547 HydrophobicContact CG-SD 4.18Å; I391-M547 HydrophobicContact CD1-CB 4.12Å; I391-M547 HydrophobicContact CD1-CG 4.48Å; I391-M547 HydrophobicContact CD1-SD 3.75Å; I391-M547 HydrophobicContact CG1-CB 4.46Å; I391-M547 HydrophobicContact CG1-SD 3.91Å; K543-M547 WeakPolarHBondContact O-CB 3.48Å; K543-M547 PolarHBondContact O-N 2.84Å; N544-M547 WeakPolarHBondContact O-CB 3.45Å; N544-M547 PolarHBondContact O-N 3.11Å; M547-D550 WeakPolarHBondContact O-CB 3.45Å; M547-D550 PolarHBondContact O-N 2.94Å; M547-F551 HydrophobicContact CG-CD2 4.25Å; M547-F551 HydrophobicContact CG-CE2 3.86Å; M547-F551 VanDerWaalsContact O-CD2 3.28Å; M547-F551 WeakPolarHBondContact O-CD2 3.33Å; M547-F551 PolarHBondContact O-N 2.94Å; M547-F551 HydrophobicContact SD-CE2 4.49Å
548	V	95.5	Very high	92.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66	-42	176.7	170.8	0	0	0	0	111.4	N544 L545 D550 F551 L552 Y563 F610	N544-V548 PolarHBondContact O-N 2.9Å; L545-V548 PolarHBondContact O-N 2.96Å; V548-D550 VanDerWaalsContact C-N 3.28Å; V548-D550 PolarHBondContact O-N 3.35Å; V548-F551 PolarHBondContact O-N 3.29Å; V548-L552 HydrophobicContact CG1-CD1 3.91Å; V548-L552 HydrophobicContact CG1-CG 4.33Å; V548-L552 WeakPolarHBondContact O-CB 3.49Å; V548-L552 WeakPolarHBondContact O-CG 3.44Å; V548-L552 PolarHBondContact O-N 2.68Å; V548-Y563 HydrophobicContact CG1-CE1 4.08Å; V548-F610 HydrophobicContact CG1-CB 3.64Å; V548-F610 HydrophobicContact CG1-CD1 3.72Å; V548-F610 HydrophobicContact CG1-CG 3.76Å; V548-F610 HydrophobicContact CG2-CB 4.25Å
549	L	94.1	Very high	92.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.9	-34	174.5	-68	171.3	0	0	0	111.9	F456 F492 F502 L545 F546 L552 Y553	F456-L549 HydrophobicContact CE1-CD1 4.28Å; F456-L549 HydrophobicContact CZ-CD1 3.84Å; F492-L549 HydrophobicContact CD2-CD2 3.95Å; F492-L549 HydrophobicContact CE1-CD2 4.31Å; F492-L549 HydrophobicContact CE2-CD2 3.49Å; F492-L549 VanDerWaalsContact CE2-CD2 3.49Å; F492-L549 HydrophobicContact CZ-CD2 3.7Å; F502-L549 HydrophobicContact CD2-CB 4.17Å; F502-L549 HydrophobicContact CD2-CD1 4.15Å; F502-L549 HydrophobicContact CE1-CB 3.91Å; F502-L549 HydrophobicContact CE2-CB 3.46Å; F502-L549 VanDerWaalsContact CE2-CB 3.46Å; F502-L549 HydrophobicContact CE2-CD1 3.83Å; F502-L549 HydrophobicContact CE2-CG 4.31Å; F502-L549 HydrophobicContact CZ-CB 3.29Å; L545-L549 HydrophobicContact CG-CD1 4.42Å; L545-L549 VanDerWaalsContact O-CG 3.3Å; L545-L549 WeakPolarHBondContact O-CG 3.43Å; L545-L549 PolarHBondContact O-N 2.96Å; F546-L549 HydrophobicContact CD1-CD1 4.43Å; L549-L552 HydrophobicContact CD2-CD1 4.47Å; L549-L552 PolarHBondContact O-N 3.34Å; L549-Y553 HydrophobicContact CB-CD2 4.4Å; L549-Y553 HydrophobicContact CD2-CE2 4.1Å; L549-Y553 WeakPolarHBondContact O-CD2 3.5Å; L549-Y553 PolarHBondContact O-N 3.01Å
550	D	93.8	Very high	92.3	Very high	46 Å²	46	32.2 Å²	32.2	25%	0.246	19%	0.188	C	C	.	.	H	α-helix	trans	-58.2	-54.8	172.7	-171.8	80	0	0	0	111.2	K506 F546 M547 V548 L552 Y553 R554	K506-D550 IonicContact NZ-OD1 3.75Å; K506-D550 PolarHBondContact NZ-OD1 3.27Å; F546-D550 WeakPolarHBondContact O-CB 3.31Å; F546-D550 PolarHBondContact O-N 3.38Å; M547-D550 WeakPolarHBondContact O-CB 3.45Å; M547-D550 PolarHBondContact O-N 2.94Å; V548-D550 VanDerWaalsContact C-N 3.28Å; V548-D550 PolarHBondContact O-N 3.35Å; D550-L552 VanDerWaalsContact C-N 3.31Å; D550-L552 PolarHBondContact O-N 3.14Å; D550-Y553 PolarHBondContact O-N 3.36Å; D550-R554 VanDerWaalsContact O-CB 3.28Å; D550-R554 WeakPolarHBondContact O-CB 3.19Å; D550-R554 PolarHBondContact O-N 3.12Å; D550-R554 IonicContact OD2-CZ 2.71Å; D550-R554 IonicContact OD2-NE 3.96Å; D550-R554 PolarHBondContact OD2-NE 2.63Å; D550-R554 IonicContact OD2-NH2 3.29Å; D550-R554 PolarHBondContact OD2-NH2 2.9Å
551	F	94.1	Very high	92.4	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	18%	0.18	C	C	.	.	H	α-helix	trans	-60.3	-37.9	177.1	-69.2	-59.9	0	0	0	112.9	P390 A421 M547 V548 Y563 V617	P390-F551 HydrophobicContact CG-CE2 4.16Å; P390-F551 HydrophobicContact CG-CZ 3.86Å; A421-F551 HydrophobicContact CB-CD2 4.23Å; A421-F551 HydrophobicContact CB-CE2 3.97Å; A421-F551 HydrophobicContact CB-CZ 4.47Å; M547-F551 HydrophobicContact CG-CD2 4.25Å; M547-F551 HydrophobicContact CG-CE2 3.86Å; M547-F551 VanDerWaalsContact O-CD2 3.28Å; M547-F551 WeakPolarHBondContact O-CD2 3.33Å; M547-F551 PolarHBondContact O-N 2.94Å; M547-F551 HydrophobicContact SD-CE2 4.49Å; V548-F551 PolarHBondContact O-N 3.29Å; F551-Y563 HydrophobicContact CB-CE2 3.96Å; F551-Y563 WeakPolarHBondContact CB-OH 3.46Å; F551-Y563 WeakPolarHBondContact CD2-OH 3.23Å; F551-V617 HydrophobicContact CB-CG1 3.88Å; F551-V617 HydrophobicContact CD1-CG1 3.41Å; F551-V617 VanDerWaalsContact CD1-CG1 3.41Å; F551-V617 HydrophobicContact CD2-CG1 4.24Å; F551-V617 HydrophobicContact CE1-CG1 3.91Å; F551-V617 HydrophobicContact CG-CG1 3.6Å
552	L	93.3	Very high	92.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-67.5	-33.9	178.9	-77	173.1	0	0	0	114	I488 F492 V548 L549 D550 C557 Y563	I488-L552 HydrophobicContact CG2-CD1 4.24Å; F492-L552 HydrophobicContact CE2-CD1 4.15Å; V548-L552 HydrophobicContact CG1-CD1 3.91Å; V548-L552 HydrophobicContact CG1-CG 4.33Å; V548-L552 WeakPolarHBondContact O-CB 3.49Å; V548-L552 WeakPolarHBondContact O-CG 3.44Å; V548-L552 PolarHBondContact O-N 2.68Å; L549-L552 HydrophobicContact CD2-CD1 4.47Å; L549-L552 PolarHBondContact O-N 3.34Å; D550-L552 VanDerWaalsContact C-N 3.31Å; D550-L552 PolarHBondContact O-N 3.14Å; L552-C557 VanDerWaalsContact O-CA 3.31Å; L552-C557 WeakPolarHBondContact O-CA 3.36Å; L552-C557 WeakPolarHBondContact O-CB 3.33Å; L552-Y563 HydrophobicContact CD2-CD2 3.59Å; L552-Y563 HydrophobicContact CD2-CE2 4.31Å; L552-Y563 HydrophobicContact CD2-CG 3.74Å; L552-Y563 HydrophobicContact CG-CD2 4.26Å; L552-Y563 HydrophobicContact CG-CG 4.45Å
553	Y	91.3	Very high	92.4	Very high	13 Å²	13	30.7 Å²	30.7	5%	0.051	18%	0.175	C	C	.	.	H	α-helix	trans	-94.6	-14.2	179.5	-74.3	-66.4	0	0	0	114.2	L489 F492 V497 F502 L549 D550 C557	L489-Y553 HydrophobicContact CD2-CD1 3.93Å; L489-Y553 HydrophobicContact CD2-CE1 3.41Å; L489-Y553 VanDerWaalsContact CD2-CE1 3.41Å; L489-Y553 HydrophobicContact CD2-CE2 4.5Å; F492-Y553 WeakPolarHBondContact CB-OH 3.27Å; V497-Y553 HydrophobicContact CG1-CE2 4.15Å; V497-Y553 PolarHBondContact O-OH 2.88Å; F502-Y553 HydrophobicContact CB-CD2 4.4Å; F502-Y553 HydrophobicContact CB-CE2 4.31Å; F502-Y553 AromaticContact CD1-CD2 3.46Å; F502-Y553 HydrophobicContact CD1-CD2 3.46Å; F502-Y553 VanDerWaalsContact CD1-CD2 3.46Å; F502-Y553 HydrophobicContact CD1-CE2 4.11Å; F502-Y553 HydrophobicContact CD1-CG 4.17Å; F502-Y553 AromaticContact CE1-CD2 3.87Å; F502-Y553 HydrophobicContact CE1-CD2 3.87Å; F502-Y553 HydrophobicContact CG-CD2 4.03Å; F502-Y553 HydrophobicContact CG-CE2 4.22Å; L549-Y553 HydrophobicContact CB-CD2 4.4Å; L549-Y553 HydrophobicContact CD2-CE2 4.1Å; L549-Y553 WeakPolarHBondContact O-CD2 3.5Å; L549-Y553 PolarHBondContact O-N 3.01Å; D550-Y553 PolarHBondContact O-N 3.36Å; Y553-C557 PolarHBondContact O-N 3.29Å
554	R	88.8	Confident	92.5	Very high	56 Å²	56	29.2 Å²	29.2	21%	0.211	17%	0.168	C	C	.	.	H	α-helix	trans	-59	147.5	179.4	-169.2	-177.4	-68.2	-161.8	-4.7	112.3	D550 S556 C557 G558 F559 S620 D621	D550-R554 VanDerWaalsContact O-CB 3.28Å; D550-R554 WeakPolarHBondContact O-CB 3.19Å; D550-R554 PolarHBondContact O-N 3.12Å; D550-R554 IonicContact OD2-CZ 2.71Å; D550-R554 IonicContact OD2-NE 3.96Å; D550-R554 PolarHBondContact OD2-NE 2.63Å; D550-R554 IonicContact OD2-NH2 3.29Å; D550-R554 PolarHBondContact OD2-NH2 2.9Å; R554-S556 VanDerWaalsContact C-N 3.35Å; R554-S556 PolarHBondContact O-N 3.11Å; R554-C557 CarbonylContact O-C 3.56Å; R554-C557 VanDerWaalsContact O-CA 3.32Å; R554-C557 WeakPolarHBondContact O-CA 3.45Å; R554-C557 PolarHBondContact O-N 2.63Å; R554-G558 PolarHBondContact O-N 3.14Å; R554-F559 HydrophobicContact CB-CD2 4.27Å; R554-F559 HydrophobicContact CG-CE2 4.25Å; R554-S620 PolarHBondContact NH1-OG 3.29Å; R554-D621 IonicContact CZ-OD1 2.71Å; R554-D621 IonicContact NH1-OD1 3.19Å; R554-D621 PolarHBondContact NH1-OD1 2.84Å; R554-D621 IonicContact NH2-OD1 3.85Å; R554-D621 PolarHBondContact NH2-OD1 2.86Å
555	D	83	Confident	92.6	Very high	115 Å²	115	27.7 Å²	27.7	62%	0.615	16%	0.16	S	C	*	.	H	α-helix	trans	49.5	50.1	176.1	-55.3	-31.5	0	0	0	113.4	C557 G558 F559	D555-C557 VanDerWaalsContact C-N 3.31Å; D555-C557 PolarHBondContact O-N 2.82Å; D555-G558 PolarHBondContact O-N 2.86Å; D555-F559 WeakPolarHBondContact OD2-CE2 3.29Å
556	S	83.3	Confident	92.6	Very high	124 Å²	124	27.6 Å²	27.6	87%	0.867	16%	0.159	S	C	*	.	H	α-helix	trans	54.2	45.1	-174.6	-60.4	0	0	0	0	113	R554 G558	R554-S556 VanDerWaalsContact C-N 3.35Å; R554-S556 PolarHBondContact O-N 3.11Å; S556-G558 VanDerWaalsContact C-N 3.31Å; S556-G558 PolarHBondContact O-N 2.97Å
557	C	87.6	Confident	92.7	Very high	40 Å²	40	27 Å²	27	27%	0.27	16%	0.157	S	C	.	.	H	α-helix	trans	62.9	29.1	-173.8	-51.2	0	0	0	0	114.7	L489 L552 Y553 R554 D555 F559 A560	L489-C557 HydrophobicContact CD1-CB 3.7Å; L552-C557 VanDerWaalsContact O-CA 3.31Å; L552-C557 WeakPolarHBondContact O-CA 3.36Å; L552-C557 WeakPolarHBondContact O-CB 3.33Å; Y553-C557 PolarHBondContact O-N 3.29Å; R554-C557 CarbonylContact O-C 3.56Å; R554-C557 VanDerWaalsContact O-CA 3.32Å; R554-C557 WeakPolarHBondContact O-CA 3.45Å; R554-C557 PolarHBondContact O-N 2.63Å; D555-C557 VanDerWaalsContact C-N 3.31Å; D555-C557 PolarHBondContact O-N 2.82Å; C557-F559 PolarHBondContact O-N 3.19Å; C557-A560 HydrophobicContact CB-CB 4.27Å; C557-A560 VanDerWaalsContact O-CB 3.23Å; C557-A560 WeakPolarHBondContact O-CB 3.41Å; C557-A560 PolarHBondContact O-N 3.29Å
558	G	86.9	Confident	92.7	Very high	42 Å²	42	28.6 Å²	28.6	43%	0.433	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.9	-175.5	0	0	0	0	0	114.7	R554 D555 S556	R554-G558 PolarHBondContact O-N 3.14Å; D555-G558 PolarHBondContact O-N 2.86Å; S556-G558 VanDerWaalsContact C-N 3.31Å; S556-G558 PolarHBondContact O-N 2.97Å
559	F	93.2	Very high	92.6	Very high	32 Å²	32	32.3 Å²	32.3	14%	0.14	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	2.1	178	-58.7	-69.2	0	0	0	114.3	R554 D555 C557 E561 D562 V617	R554-F559 HydrophobicContact CB-CD2 4.27Å; R554-F559 HydrophobicContact CG-CE2 4.25Å; D555-F559 WeakPolarHBondContact OD2-CE2 3.29Å; C557-F559 PolarHBondContact O-N 3.19Å; F559-E561 VanDerWaalsContact C-N 3.26Å; F559-E561 PolarHBondContact O-N 2.96Å; F559-D562 VanDerWaalsContact O-CB 3.27Å; F559-D562 WeakPolarHBondContact O-CB 3.44Å; F559-D562 PolarHBondContact O-N 2.93Å; F559-V617 HydrophobicContact CB-CG2 4.16Å; F559-V617 HydrophobicContact CD1-CB 4.43Å; F559-V617 HydrophobicContact CD1-CG2 3.65Å; F559-V617 HydrophobicContact CE1-CG2 4.33Å; F559-V617 HydrophobicContact CG-CG1 4.46Å; F559-V617 HydrophobicContact CG-CG2 4.08Å
560	A	93.3	Very high	92.4	Very high	3 Å²	3	34.3 Å²	34.3	3%	0.025	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-60.6	-32	-177.2	0	0	0	0	0	113.7	G485 L489 C557 D562	G485-A560 WeakPolarHBondContact CA-O 3.3Å; G485-A560 PolarHBondContact N-O 3.1Å; L489-A560 HydrophobicContact CD1-CB 3.55Å; C557-A560 HydrophobicContact CB-CB 4.27Å; C557-A560 VanDerWaalsContact O-CB 3.23Å; C557-A560 WeakPolarHBondContact O-CB 3.41Å; C557-A560 PolarHBondContact O-N 3.29Å; A560-D562 PolarHBondContact O-N 2.95Å
561	E	92.8	Very high	92.1	Very high	55 Å²	55	36.3 Å²	36.3	26%	0.257	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-70.4	-15.4	174.8	-74	-73.1	-165.2	0	0	113.7	K486 F559 R564	K486-E561 HydrophobicContact CD-CG 4.49Å; K486-E561 WeakPolarHBondContact CD-OE1 3.36Å; K486-E561 WeakPolarHBondContact CE-OE1 3.41Å; K486-E561 IonicContact NZ-OE1 3.55Å; K486-E561 PolarHBondContact NZ-OE1 2.97Å; F559-E561 VanDerWaalsContact C-N 3.26Å; F559-E561 PolarHBondContact O-N 2.96Å; E561-R564 PolarHBondContact O-NH1 3.5Å; E561-R564 PolarHBondContact O-NH2 3.37Å
562	D	95.6	Very high	91.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-88.8	-10.5	-175.1	-58.5	16.9	0	0	0	111.8	F559 A560 L613 N614 V617 Y819 R827	F559-D562 VanDerWaalsContact O-CB 3.27Å; F559-D562 WeakPolarHBondContact O-CB 3.44Å; F559-D562 PolarHBondContact O-N 2.93Å; A560-D562 PolarHBondContact O-N 2.95Å; D562-L613 WeakPolarHBondContact O-CB 3.46Å; D562-L613 PolarHBondContact O-N 3.21Å; D562-N614 HydrophobicContact CB-CB 3.79Å; D562-N614 VanDerWaalsContact OD2-CB 3.29Å; D562-N614 WeakPolarHBondContact OD2-CB 3.47Å; D562-N614 PolarHBondContact OD2-ND2 2.86Å; D562-V617 HydrophobicContact CB-CG2 3.95Å; D562-Y819 HydrophobicContact CB-CE2 4.46Å; D562-R827 IonicContact OD1-CZ 2.71Å; D562-R827 IonicContact OD1-NH1 2.89Å; D562-R827 PolarHBondContact OD1-NH1 3.34Å; D562-R827 IonicContact OD1-NH2 3.55Å; D562-R827 PolarHBondContact OD1-NH2 3.47Å; D562-R827 IonicContact OD2-CZ 2.84Å; D562-R827 IonicContact OD2-NH1 2.77Å; D562-R827 PolarHBondContact OD2-NH1 3.38Å; D562-R827 IonicContact OD2-NH2 3.26Å
563	Y	97.3	Very high	90.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	142.2	178.6	-79.8	-89.2	0	0	0	112.7	A421 G485 V548 F551 L552 W611 C612 V617	A421-Y563 VanDerWaalsContact O-CE1 3.27Å; A421-Y563 WeakPolarHBondContact O-CE1 3.38Å; A421-Y563 PolarHBondContact O-OH 3.47Å; G485-Y563 PolarHBondContact N-O 3.06Å; G485-Y563 VanDerWaalsContact N-O 3.12Å; V548-Y563 HydrophobicContact CG1-CE1 4.08Å; F551-Y563 HydrophobicContact CB-CE2 3.96Å; F551-Y563 WeakPolarHBondContact CB-OH 3.46Å; F551-Y563 WeakPolarHBondContact CD2-OH 3.23Å; L552-Y563 HydrophobicContact CD2-CD2 3.59Å; L552-Y563 HydrophobicContact CD2-CE2 4.31Å; L552-Y563 HydrophobicContact CD2-CG 3.74Å; L552-Y563 HydrophobicContact CG-CD2 4.26Å; L552-Y563 HydrophobicContact CG-CG 4.45Å; Y563-W611 WeakPolarHBondContact CA-O 3.4Å; Y563-C612 HydrophobicContact CD1-CB 4.31Å; Y563-C612 HydrophobicContact CE1-CB 3.76Å; Y563-V617 HydrophobicContact CE2-CG1 4.2Å
564	R	97.3	Very high	90.3	Very high	22 Å²	22	45.7 Å²	45.7	8%	0.083	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.7	161.9	-61.7	-64.9	175.1	-92.2	0.8	108.5	V482 W483 E561 W611 L613 L815	V482-R564 HydrophobicContact CG1-CB 4.12Å; W483-R564 WeakPolarHBondContact O-CA 3.33Å; E561-R564 PolarHBondContact O-NH1 3.5Å; E561-R564 PolarHBondContact O-NH2 3.37Å; R564-W611 PolarHBondContact N-O 2.87Å; R564-W611 PolarHBondContact O-N 2.68Å; R564-L613 HydrophobicContact CB-CD1 4.41Å; R564-L613 HydrophobicContact CG-CD1 3.51Å; R564-L613 HydrophobicContact CG-CG 4.27Å; R564-L815 HydrophobicContact CB-CD1 4.1Å; R564-L815 HydrophobicContact CG-CD1 4.45Å; R564-L815 HydrophobicContact CG-CD2 4.32Å
565	I	97.3	Very high	89.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127.2	-177.5	-63.6	78.1	0	0	0	106.6	V482 W483 I488 L608 S609 F610	V482-I565 CarbonylContact C-O 3.54Å; V482-I565 VanDerWaalsContact CA-O 3.3Å; V482-I565 WeakPolarHBondContact CA-O 3.27Å; W483-I565 PolarHBondContact N-O 2.72Å; W483-I565 PolarHBondContact O-N 3.41Å; I488-I565 HydrophobicContact CB-CD1 3.91Å; I488-I565 HydrophobicContact CB-CG1 4.07Å; I488-I565 HydrophobicContact CD1-CB 4.38Å; I488-I565 HydrophobicContact CD1-CG2 3.98Å; I488-I565 HydrophobicContact CG1-CB 4.44Å; I488-I565 HydrophobicContact CG1-CD1 4.49Å; I488-I565 HydrophobicContact CG1-CG1 4.11Å; I488-I565 HydrophobicContact CG1-CG2 4.32Å; I488-I565 HydrophobicContact CG2-CD1 3.57Å; I488-I565 HydrophobicContact CG2-CG1 4.01Å; I565-L608 HydrophobicContact CG2-CD1 3.7Å; I565-L608 HydrophobicContact CG2-CG 4.45Å; I565-S609 CarbonylContact C-O 3.6Å; I565-S609 WeakPolarHBondContact CA-O 3.49Å; I565-F610 HydrophobicContact CB-CD1 4.49Å; I565-F610 HydrophobicContact CG1-CD1 3.5Å; I565-F610 VanDerWaalsContact CG1-CD1 3.5Å; I565-F610 HydrophobicContact CG1-CE1 3.93Å; I565-F610 HydrophobicContact CG1-CG 4.35Å; I565-F610 HydrophobicContact CG2-CD1 4.22Å; I565-F610 HydrophobicContact CG2-CE1 4.15Å
566	A	96.4	Very high	88.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	116.6	-173.7	0	0	0	0	0	110.7	K481 V482 Q568 S609 W611	K481-A566 CarbonylContact O-C 3.6Å; K481-A566 WeakPolarHBondContact O-CA 3.5Å; V482-A566 HydrophobicContact CG2-CB 4.07Å; A566-Q568 HydrophobicContact CB-CG 4.32Å; A566-S609 PolarHBondContact N-O 2.72Å; A566-S609 PolarHBondContact O-N 3.2Å; A566-W611 HydrophobicContact CB-CE3 3.86Å; A566-W611 HydrophobicContact CB-CH2 3.61Å; A566-W611 HydrophobicContact CB-CZ2 4.34Å; A566-W611 HydrophobicContact CB-CZ3 3.32Å
567	L	96.7	Very high	87.4	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	128.6	163.8	-176.3	68.3	0	0	0	107.4	I464 L471 C480 K481 W483 L606 T607 L608	I464-L567 HydrophobicContact CG2-CD1 3.91Å; L471-L567 HydrophobicContact CD2-CB 4.26Å; L471-L567 HydrophobicContact CD2-CD2 4.07Å; L471-L567 HydrophobicContact CD2-CG 4.02Å; L471-L567 WeakPolarHBondContact CD2-O 3.45Å; L471-L567 HydrophobicContact CG-CD2 4.47Å; C480-L567 CarbonylContact C-O 3.57Å; C480-L567 WeakPolarHBondContact CA-O 3.28Å; K481-L567 PolarHBondContact N-O 3.44Å; K481-L567 PolarHBondContact O-N 3.32Å; W483-L567 HydrophobicContact CH2-CB 3.91Å; W483-L567 HydrophobicContact CH2-CD2 4.4Å; W483-L567 HydrophobicContact CZ3-CB 3.61Å; L567-L606 HydrophobicContact CD1-CD1 4.05Å; L567-L606 HydrophobicContact CD1-CD2 4.06Å; L567-L606 HydrophobicContact CD1-CG 3.89Å; L567-L606 HydrophobicContact CG-CD1 4.22Å; L567-T607 WeakPolarHBondContact CA-O 3.22Å; L567-L608 HydrophobicContact CB-CD1 4.38Å; L567-L608 HydrophobicContact CD1-CD1 4.45Å
568	Q	94.5	Very high	85.9	Confident	52 Å²	52	45.5 Å²	45.5	24%	0.243	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	126.1	-177.1	-58	-177.2	-89.2	0	0	110.6	A479 C480 A566 L606 T607	A479-Q568 WeakPolarHBondContact O-CA 3.46Å; C480-Q568 HydrophobicContact CB-CG 4.16Å; A566-Q568 HydrophobicContact CB-CG 4.32Å; Q568-L606 WeakPolarHBondContact O-CA 3.34Å; Q568-T607 PolarHBondContact N-O 3.41Å; Q568-T607 PolarHBondContact O-N 2.87Å
569	R	93.4	Very high	84.3	Confident	77 Å²	77	48.5 Å²	48.5	29%	0.291	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	129.4	162.4	177.6	176.7	67.7	-178.7	4.8	108.5	L471 S478 A479 E604 L606	L471-R569 HydrophobicContact CD1-CB 3.95Å; S478-R569 WeakPolarHBondContact CA-O 3.24Å; A479-R569 HydrophobicContact CB-CB 4.48Å; A479-R569 PolarHBondContact N-O 3.3Å; A479-R569 VanDerWaalsContact N-O 3.15Å; A479-R569 PolarHBondContact O-N 3.39Å; R569-E604 VanDerWaalsContact CD-CD 3.45Å; R569-E604 WeakPolarHBondContact CD-OE1 3.32Å; R569-E604 HydrophobicContact CG-CG 3.87Å; R569-E604 WeakPolarHBondContact CG-OE1 3.41Å; R569-L606 HydrophobicContact CB-CD1 4.13Å
570	S	90.7	Very high	82.5	Confident	42 Å²	42	51.1 Å²	51.1	29%	0.294	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	174.9	-179.2	64.4	0	0	0	0	110.3	V605	S570-V605 PolarHBondContact N-O 3.03Å; S570-V605 PolarHBondContact O-N 3.25Å; S570-V605 PolarHBondContact OG-O 3.24Å; S570-V605 VanDerWaalsContact OG-O 3.07Å
571	Y	88.1	Confident	80.7	Confident	88 Å²	88	58 Å²	58	35%	0.345	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.9	175.7	-64.3	-93.1	0	0	0	111.5	E477 K602 K603 E604	E477-Y571 HydrophobicContact CB-CD2 3.75Å; E477-Y571 HydrophobicContact CB-CE2 4.05Å; E477-Y571 WeakPolarHBondContact O-CD2 3.48Å; Y571-K602 HydrophobicContact CD1-CG 4.26Å; Y571-K602 HydrophobicContact CG-CG 4.39Å; Y571-K603 CarbonylContact C-O 3.59Å; Y571-K603 WeakPolarHBondContact CA-O 3.28Å; Y571-E604 HydrophobicContact CD1-CB 4.03Å; Y571-E604 HydrophobicContact CD1-CG 4.42Å; Y571-E604 HydrophobicContact CE1-CB 3.65Å; Y571-E604 HydrophobicContact CE1-CG 3.87Å; Y571-E604 PolarHBondContact OH-OE2 3.01Å
572	A	82.4	Confident	78.8	Confident	39 Å²	39	59.1 Å²	59.1	32%	0.322	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	139.4	175.8	0	0	0	0	0	111	T574 K603 V605	A572-T574 PolarHBondContact O-N 3.41Å; A572-K603 PolarHBondContact N-O 3.43Å; A572-K603 PolarHBondContact O-N 3.12Å; A572-V605 HydrophobicContact CB-CG2 3.59Å
573	W	79.9	Confident	76.8	Confident	131 Å²	131	62 Å²	62	50%	0.496	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	101.5	174.8	-72.9	108.8	0	0	0	110.8	R600 K602	W573-R600 HydrophobicContact CB-CG 4.1Å; W573-R600 HydrophobicContact CE3-CG 4.02Å; W573-R600 VanDerWaalsContact CZ3-O 3.3Å; W573-R600 WeakPolarHBondContact CZ3-O 3.36Å; W573-K602 HydrophobicContact CD2-CB 4.36Å; W573-K602 HydrophobicContact CD2-CG 4.49Å; W573-K602 HydrophobicContact CE3-CB 3.86Å; W573-K602 HydrophobicContact CE3-CG 4.47Å; W573-K602 HydrophobicContact CH2-CB 4.05Å; W573-K602 HydrophobicContact CH2-CD 4.16Å; W573-K602 HydrophobicContact CH2-CG 4.47Å; W573-K602 HydrophobicContact CZ2-CB 4.49Å; W573-K602 HydrophobicContact CZ2-CD 4.03Å; W573-K602 HydrophobicContact CZ2-CG 4.45Å; W573-K602 HydrophobicContact CZ3-CB 3.7Å; W573-K602 HydrophobicContact CZ3-CG 4.47Å
574	T	77.2	Confident	74.9	Confident	41 Å²	41	66.7 Å²	66.7	25%	0.252	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	137.7	-179.9	61.2	0	0	0	0	111.3	A572 Q576 R600 V601 K603	A572-T574 PolarHBondContact O-N 3.41Å; T574-Q576 PolarHBondContact O-N 2.82Å; T574-Q576 PolarHBondContact OG1-NE2 3.44Å; T574-R600 CarbonylContact O-C 3.59Å; T574-R600 WeakPolarHBondContact O-CA 3.28Å; T574-V601 PolarHBondContact N-O 3.15Å; T574-V601 PolarHBondContact O-N 3.35Å; T574-V601 PolarHBondContact OG1-O 3.35Å; T574-K603 HydrophobicContact CG2-CB 3.84Å; T574-K603 HydrophobicContact CG2-CD 4.18Å
575	N	75.6	Confident	73.1	Confident	108 Å²	108	73.2 Å²	73.2	58%	0.578	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	98.2	170.2	-71	-21	0	0	0	108.3	N598	N575-N598 HydrophobicContact CB-CB 4.44Å
576	Q	61.8	Low	70.9	Confident	77 Å²	77	75.8 Å²	75.8	36%	0.36	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	135.3	178	-65.7	-169.8	22.3	0	0	110.7	T574 P578 A599 V601	T574-Q576 PolarHBondContact O-N 2.82Å; T574-Q576 PolarHBondContact OG1-NE2 3.44Å; Q576-P578 WeakPolarHBondContact O-CD 3.33Å; Q576-A599 PolarHBondContact N-O 3.28Å; Q576-A599 PolarHBondContact O-N 3.16Å; Q576-V601 HydrophobicContact CB-CB 4.4Å; Q576-V601 HydrophobicContact CB-CG2 3.99Å; Q576-V601 HydrophobicContact CG-CB 4.04Å; Q576-V601 HydrophobicContact CG-CG2 4.18Å
577	V	57.8	Low	68.9	Low	90 Å²	90	83.2 Å²	83.2	55%	0.545	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-80.2	117.9	163.9	-179.6	0	0	0	0	105.7	R596	V577-R596 VanDerWaalsContact CG1-CZ 3.48Å; V577-R596 VanDerWaalsContact CG1-NE 3.28Å
578	P	54.9	Low	66.6	Low	56 Å²	56	88.9 Å²	88.9	36%	0.364	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-57.3	136.2	-178.8	-25.6	34.5	0	0	0	110.4	Q576 R596	Q576-P578 WeakPolarHBondContact O-CD 3.33Å; P578-R596 PolarHBondContact O-NH2 3.1Å
579	P	54.2	Low	64.4	Low	105 Å²	105	91.1 Å²	91.1	68%	0.682	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-61.2	146	178.8	26.2	-34.3	0	0	0	110.8	L581	P579-L581 PolarHBondContact O-N 3.16Å
580	D	55.9	Low	62.2	Low	88 Å²	88	97.9 Å²	97.9	47%	0.471	53%	0.532	S	S	.	.			trans	-72.8	98.6	175.8	-66.2	-25.3	0	0	0	108.5	L588 R596	D580-L588 HydrophobicContact CB-CD2 4.5Å; D580-R596 IonicContact OD1-CZ 3.14Å; D580-R596 IonicContact OD1-NH1 3.28Å; D580-R596 PolarHBondContact OD1-NH1 3.12Å; D580-R596 IonicContact OD1-NH2 2.74Å; D580-R596 PolarHBondContact OD1-NH2 3.14Å
581	L	54.8	Low	60	Low	146 Å²	146	99.6 Å²	99.6	76%	0.764	54%	0.542	S	S	*	.			trans	-68.1	129.7	176.7	-69	172.3	0	0	0	110.1	P579	P579-L581 PolarHBondContact O-N 3.16Å
582	P	54.1	Low	58	Low	80 Å²	80	104 Å²	104	52%	0.519	57%	0.565	S	S	.	*			trans	-69.2	151	167.8	30.9	-34.1	0	0	0	110.2
583	D	52.7	Low	56.5	Low	60 Å²	60	110.8 Å²	110.8	32%	0.321	59%	0.59	S	S	.	*			trans	-74.6	175.6	168.5	64.1	29.8	0	0	0	112.2	Q585 G586 F587	D583-Q585 PolarHBondContact O-N 3.03Å; D583-Q585 VanDerWaalsContact OD1-C 3.25Å; D583-Q585 WeakPolarHBondContact OD1-CA 3.35Å; D583-Q585 PolarHBondContact OD1-N 3.29Å; D583-G586 PolarHBondContact O-N 2.88Å; D583-G586 PolarHBondContact OD1-N 3.38Å; D583-F587 PolarHBondContact N-O 3.37Å; D583-F587 PolarHBondContact OD1-N 3.34Å; D583-F587 WeakPolarHBondContact OD2-CB 3.48Å
584	A	56.2	Low	54.8	Low	99 Å²	99	115.7 Å²	115.7	82%	0.818	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	2.1	178.9	0	0	0	0	0	114.1
585	Q	60.3	Low	53.4	Low	158 Å²	158	120.8 Å²	120.8	74%	0.738	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.8	7.8	172.8	-72.8	75.1	36.9	0	0	112	D583	D583-Q585 PolarHBondContact O-N 3.03Å; D583-Q585 VanDerWaalsContact OD1-C 3.25Å; D583-Q585 WeakPolarHBondContact OD1-CA 3.35Å; D583-Q585 PolarHBondContact OD1-N 3.29Å
586	G	50.3	Low	52.2	Low	55 Å²	55	121 Å²	121	57%	0.567	62%	0.622	S	S	*	*	S	Bend	trans	80	10.7	176	0	0	0	0	0	115.3	D583	D583-G586 PolarHBondContact O-N 2.88Å; D583-G586 PolarHBondContact OD1-N 3.38Å
587	F	54.8	Low	51.9	Low	156 Å²	156	124.6 Å²	124.6	68%	0.684	64%	0.638	S	S	*	*			trans	-88.9	135.2	-178.4	-115.3	-96.1	0	0	0	112.7	D583 V589	D583-F587 PolarHBondContact N-O 3.37Å; D583-F587 PolarHBondContact OD1-N 3.34Å; D583-F587 WeakPolarHBondContact OD2-CB 3.48Å; F587-V589 PolarHBondContact O-N 2.84Å; F587-V589 VanDerWaalsContact O-N 3.15Å
588	L	48.8	Very low	51.8	Low	118 Å²	118	125.1 Å²	125.1	62%	0.618	64%	0.638	S	S	*	*			trans	-83.2	86	176.6	-70.2	174.2	0	0	0	110.9	D580 R590	D580-L588 HydrophobicContact CB-CD2 4.5Å; L588-R590 PolarHBondContact O-N 2.9Å
589	V	48.7	Very low	52.4	Low	99 Å²	99	124.6 Å²	124.6	60%	0.6	64%	0.638	S	S	*	*			trans	-70.2	96.6	176.4	-177.6	0	0	0	0	110.4	F587 P591	F587-V589 PolarHBondContact O-N 2.84Å; F587-V589 VanDerWaalsContact O-N 3.15Å; V589-P591 WeakPolarHBondContact O-CD 3.38Å
590	R	47.7	Very low	53.3	Low	220 Å²	220	127.6 Å²	127.6	83%	0.83	64%	0.636	S	S	*	*			trans	-59	114	174.8	-72.2	-174	177.4	-176.7	0.5	111.3	L588	L588-R590 PolarHBondContact O-N 2.9Å
591	P	44.5	Very low	54.5	Low	78 Å²	78	126 Å²	126	51%	0.506	63%	0.63	S	S	.	*			trans	-69.1	147	178	-18.4	33.4	0	0	0	111.5	V589 H593	V589-P591 WeakPolarHBondContact O-CD 3.38Å; P591-H593 PolarHBondContact O-N 2.91Å
592	H	46.2	Very low	56	Low	181 Å²	181	122.7 Å²	122.7	84%	0.838	61%	0.609	S	S	*	*			trans	-61.2	122.2	179.5	-106.6	49.6	0	0	0	111.8	R594	H592-R594 PolarHBondContact O-N 3.18Å
593	H	50.9	Low	57.5	Low	181 Å²	181	123.2 Å²	123.2	84%	0.838	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.3	-8.5	-169	-86.2	-75.9	0	0	0	117.6	P591	P591-H593 PolarHBondContact O-N 2.91Å
594	R	44.4	Very low	59.2	Low	234 Å²	234	124.2 Å²	124.2	88%	0.883	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-4.7	-171.3	-73.9	-171.7	173.9	-174.3	-1.3	115.9	H592	H592-R594 PolarHBondContact O-N 3.18Å
595	H	47.5	Very low	60.9	Low	148 Å²	148	120.2 Å²	120.2	69%	0.685	57%	0.571	S	S	*	*			trans	-141.6	22.5	-176.7	-125.3	-62	0	0	0	117.4	Q597	H595-Q597 PolarHBondContact O-N 3.5Å
596	R	49.8	Very low	62.5	Low	113 Å²	113	113.5 Å²	113.5	43%	0.426	54%	0.54	S	S	.	.			trans	-68.8	92.1	171.5	-155.7	172.1	-161.6	150.4	5.6	109.3	V577 P578 D580	V577-R596 VanDerWaalsContact CG1-CZ 3.48Å; V577-R596 VanDerWaalsContact CG1-NE 3.28Å; P578-R596 PolarHBondContact O-NH2 3.1Å; D580-R596 IonicContact OD1-CZ 3.14Å; D580-R596 IonicContact OD1-NH1 3.28Å; D580-R596 PolarHBondContact OD1-NH1 3.12Å; D580-R596 IonicContact OD1-NH2 2.74Å; D580-R596 PolarHBondContact OD1-NH2 3.14Å
597	Q	55	Low	64.7	Low	151 Å²	151	111.9 Å²	111.9	71%	0.706	52%	0.519	S	S	*	.			trans	-71	132.2	171.2	-60.9	-163.1	32.6	0	0	108.7	H595 A599	H595-Q597 PolarHBondContact O-N 3.5Å; Q597-A599 PolarHBondContact O-N 3.3Å
598	N	56.4	Low	66.7	Low	101 Å²	101	104.5 Å²	104.5	54%	0.54	49%	0.487	S	S	.	.			trans	-74	112.2	173.8	-70.7	-9.6	0	0	0	108.5	N575 R600	N575-N598 HydrophobicContact CB-CB 4.44Å; N598-R600 PolarHBondContact O-N 2.8Å
599	A	67.6	Low	69	Low	45 Å²	45	99 Å²	99	37%	0.372	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	124	172.4	0	0	0	0	0	108.9	Q576 Q597 V601	Q576-A599 PolarHBondContact N-O 3.28Å; Q576-A599 PolarHBondContact O-N 3.16Å; Q597-A599 PolarHBondContact O-N 3.3Å; A599-V601 HydrophobicContact CB-CG2 4.01Å; A599-V601 PolarHBondContact O-N 2.62Å; A599-V601 VanDerWaalsContact O-N 3.17Å
600	R	72.6	Confident	71.3	Confident	169 Å²	169	94.2 Å²	94.2	64%	0.638	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	89.9	174.4	-161.5	179.8	-167.9	-166.2	-0.4	108.1	W573 T574 N598	W573-R600 HydrophobicContact CB-CG 4.1Å; W573-R600 HydrophobicContact CE3-CG 4.02Å; W573-R600 VanDerWaalsContact CZ3-O 3.3Å; W573-R600 WeakPolarHBondContact CZ3-O 3.36Å; T574-R600 CarbonylContact O-C 3.59Å; T574-R600 WeakPolarHBondContact O-CA 3.28Å; N598-R600 PolarHBondContact O-N 2.8Å
601	V	82.1	Confident	73.7	Confident	54 Å²	54	84.3 Å²	84.3	33%	0.327	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	125.7	-175.4	-178.6	0	0	0	0	109.8	T574 Q576 A599 K603	T574-V601 PolarHBondContact N-O 3.15Å; T574-V601 PolarHBondContact O-N 3.35Å; T574-V601 PolarHBondContact OG1-O 3.35Å; Q576-V601 HydrophobicContact CB-CB 4.4Å; Q576-V601 HydrophobicContact CB-CG2 3.99Å; Q576-V601 HydrophobicContact CG-CB 4.04Å; Q576-V601 HydrophobicContact CG-CG2 4.18Å; A599-V601 HydrophobicContact CB-CG2 4.01Å; A599-V601 PolarHBondContact O-N 2.62Å; A599-V601 VanDerWaalsContact O-N 3.17Å; V601-K603 PolarHBondContact O-N 3Å
602	K	84.4	Confident	76.2	Confident	77 Å²	77	80.6 Å²	80.6	34%	0.335	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	110.4	170.5	-162.8	170.3	-166.6	171.1	0	108.6	E477 Y571 W573	E477-K602 WeakPolarHBondContact OE1-CE 3.41Å; E477-K602 IonicContact OE1-NZ 2.78Å; E477-K602 PolarHBondContact OE1-NZ 2.71Å; E477-K602 WeakPolarHBondContact OE2-CE 3.31Å; E477-K602 IonicContact OE2-NZ 3.81Å; E477-K602 PolarHBondContact OE2-NZ 3.39Å; Y571-K602 HydrophobicContact CD1-CG 4.26Å; Y571-K602 HydrophobicContact CG-CG 4.39Å; W573-K602 HydrophobicContact CD2-CB 4.36Å; W573-K602 HydrophobicContact CD2-CG 4.49Å; W573-K602 HydrophobicContact CE3-CB 3.86Å; W573-K602 HydrophobicContact CE3-CG 4.47Å; W573-K602 HydrophobicContact CH2-CB 4.05Å; W573-K602 HydrophobicContact CH2-CD 4.16Å; W573-K602 HydrophobicContact CH2-CG 4.47Å; W573-K602 HydrophobicContact CZ2-CB 4.49Å; W573-K602 HydrophobicContact CZ2-CD 4.03Å; W573-K602 HydrophobicContact CZ2-CG 4.45Å; W573-K602 HydrophobicContact CZ3-CB 3.7Å; W573-K602 HydrophobicContact CZ3-CG 4.47Å
603	K	87.1	Confident	78.6	Confident	90 Å²	90	72 Å²	72	39%	0.391	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	136.5	-179.7	-168.1	-158.8	169.6	-167.3	0	109.1	Y571 A572 T574 V601	Y571-K603 CarbonylContact C-O 3.59Å; Y571-K603 WeakPolarHBondContact CA-O 3.28Å; A572-K603 PolarHBondContact N-O 3.43Å; A572-K603 PolarHBondContact O-N 3.12Å; T574-K603 HydrophobicContact CG2-CB 3.84Å; T574-K603 HydrophobicContact CG2-CD 4.18Å; V601-K603 PolarHBondContact O-N 3Å
604	E	87.6	Confident	80.7	Confident	81 Å²	81	63.7 Å²	63.7	38%	0.379	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	137	167.5	-165	170.1	132	0	0	110.5	R569 Y571	R569-E604 VanDerWaalsContact CD-CD 3.45Å; R569-E604 WeakPolarHBondContact CD-OE1 3.32Å; R569-E604 HydrophobicContact CG-CG 3.87Å; R569-E604 WeakPolarHBondContact CG-OE1 3.41Å; Y571-E604 HydrophobicContact CD1-CB 4.03Å; Y571-E604 HydrophobicContact CD1-CG 4.42Å; Y571-E604 HydrophobicContact CE1-CB 3.65Å; Y571-E604 HydrophobicContact CE1-CG 3.87Å; Y571-E604 PolarHBondContact OH-OE2 3.01Å
605	V	91.6	Very high	83.2	Confident	15 Å²	15	52.6 Å²	52.6	9%	0.091	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	120.7	178.7	-176.1	0	0	0	0	108.9	E426 S570 A572 T607	E426-V605 HydrophobicContact CG-CG1 3.8Å; S570-V605 PolarHBondContact N-O 3.03Å; S570-V605 PolarHBondContact O-N 3.25Å; S570-V605 PolarHBondContact OG-O 3.24Å; S570-V605 VanDerWaalsContact OG-O 3.07Å; A572-V605 HydrophobicContact CB-CG2 3.59Å; V605-T607 HydrophobicContact CG1-CG2 4.09Å
606	L	94.5	Very high	85.4	Confident	17 Å²	17	46.2 Å²	46.2	9%	0.089	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.3	175.8	-167.7	79.7	0	0	0	109.6	L427 I464 Q468 L471 L567 Q568 R569	L427-L606 HydrophobicContact CD2-CD2 3.92Å; L427-L606 PolarHBondContact N-O 3.49Å; L427-L606 VanDerWaalsContact N-O 3.15Å; I464-L606 HydrophobicContact CG2-CD2 3.47Å; I464-L606 VanDerWaalsContact CG2-CD2 3.47Å; Q468-L606 HydrophobicContact CG-CD1 4.35Å; Q468-L606 HydrophobicContact CG-CD2 4.08Å; L471-L606 HydrophobicContact CD1-CD1 4.37Å; L567-L606 HydrophobicContact CD1-CD1 4.05Å; L567-L606 HydrophobicContact CD1-CD2 4.06Å; L567-L606 HydrophobicContact CD1-CG 3.89Å; L567-L606 HydrophobicContact CG-CD1 4.22Å; Q568-L606 WeakPolarHBondContact O-CA 3.34Å; R569-L606 HydrophobicContact CB-CD1 4.13Å
607	T	95.6	Very high	87.5	Confident	21 Å²	21	40.8 Å²	40.8	13%	0.129	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	141.2	178.4	59.3	0	0	0	0	111.7	T424 L425 L567 Q568 V605	T424-T607 HydrophobicContact CG2-CG2 4.22Å; L425-T607 CarbonylContact O-C 3.48Å; L425-T607 VanDerWaalsContact O-CA 3.31Å; L425-T607 WeakPolarHBondContact O-CA 3.42Å; L567-T607 WeakPolarHBondContact CA-O 3.22Å; Q568-T607 PolarHBondContact N-O 3.41Å; Q568-T607 PolarHBondContact O-N 2.87Å; V605-T607 HydrophobicContact CG1-CG2 4.09Å
608	L	97.2	Very high	89.4	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	111.3	167.6	-178.1	67.5	0	0	0	108.3	L425 L460 W463 I464 I565 L567 F610	L425-L608 PolarHBondContact N-O 3.41Å; L425-L608 PolarHBondContact O-N 2.73Å; L460-L608 HydrophobicContact CD1-CD2 4.07Å; W463-L608 HydrophobicContact CH2-CD1 4.11Å; W463-L608 HydrophobicContact CZ3-CD1 3.84Å; W463-L608 HydrophobicContact CZ3-CD2 3.9Å; I464-L608 HydrophobicContact CD1-CB 4.21Å; I464-L608 HydrophobicContact CD1-CD2 3.89Å; I464-L608 HydrophobicContact CG1-CD2 4.08Å; I565-L608 HydrophobicContact CG2-CD1 3.7Å; I565-L608 HydrophobicContact CG2-CG 4.45Å; L567-L608 HydrophobicContact CB-CD1 4.38Å; L567-L608 HydrophobicContact CD1-CD1 4.45Å; L608-F610 HydrophobicContact CD2-CE2 3.72Å; L608-F610 HydrophobicContact CD2-CZ 3.66Å; L608-F610 HydrophobicContact CG-CE2 3.89Å; L608-F610 HydrophobicContact CG-CZ 4.14Å
609	S	97.6	Very high	91.1	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.014	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.8	-179.5	-64.8	0	0	0	0	111.5	T424 I565 A566 W611	T424-S609 WeakPolarHBondContact CG2-OG 3.45Å; T424-S609 WeakPolarHBondContact OG1-CB 3.43Å; T424-S609 PolarHBondContact OG1-OG 3.35Å; I565-S609 CarbonylContact C-O 3.6Å; I565-S609 WeakPolarHBondContact CA-O 3.49Å; A566-S609 PolarHBondContact N-O 2.72Å; A566-S609 PolarHBondContact O-N 3.2Å; S609-W611 VanDerWaalsContact CB-CE2 3.48Å
610	F	97.6	Very high	92.2	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	99.2	169.4	-59.7	-97	0	0	0	108	S422 Y423 F492 L545 V548 I565 L608	S422-F610 VanDerWaalsContact CA-O 3.25Å; S422-F610 WeakPolarHBondContact CA-O 3.28Å; S422-F610 VanDerWaalsContact CB-O 3.28Å; S422-F610 WeakPolarHBondContact CB-O 3.47Å; Y423-F610 PolarHBondContact N-O 2.83Å; Y423-F610 PolarHBondContact O-N 3.39Å; F492-F610 HydrophobicContact CE2-CE1 4.25Å; F492-F610 AromaticContact CZ-CE1 3.83Å; F492-F610 HydrophobicContact CZ-CE1 3.83Å; F492-F610 HydrophobicContact CZ-CZ 4.11Å; L545-F610 HydrophobicContact CD1-CE2 3.93Å; L545-F610 HydrophobicContact CD1-CZ 4.02Å; V548-F610 HydrophobicContact CG1-CB 3.64Å; V548-F610 HydrophobicContact CG1-CD1 3.72Å; V548-F610 HydrophobicContact CG1-CG 3.76Å; V548-F610 HydrophobicContact CG2-CB 4.25Å; I565-F610 HydrophobicContact CB-CD1 4.49Å; I565-F610 HydrophobicContact CG1-CD1 3.5Å; I565-F610 VanDerWaalsContact CG1-CD1 3.5Å; I565-F610 HydrophobicContact CG1-CE1 3.93Å; I565-F610 HydrophobicContact CG1-CG 4.35Å; I565-F610 HydrophobicContact CG2-CD1 4.22Å; I565-F610 HydrophobicContact CG2-CE1 4.15Å; L608-F610 HydrophobicContact CD2-CE2 3.72Å; L608-F610 HydrophobicContact CD2-CZ 3.66Å; L608-F610 HydrophobicContact CG-CE2 3.89Å; L608-F610 HydrophobicContact CG-CZ 4.14Å
611	W	97.8	Very high	92.9	Very high	12 Å²	12	21.7 Å²	21.7	5%	0.045	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	119.1	-178.1	-63.4	-39.8	0	0	0	111.4	Y563 R564 A566 S609 L811 Q812 L815	Y563-W611 WeakPolarHBondContact CA-O 3.4Å; R564-W611 PolarHBondContact N-O 2.87Å; R564-W611 PolarHBondContact O-N 2.68Å; A566-W611 HydrophobicContact CB-CE3 3.86Å; A566-W611 HydrophobicContact CB-CH2 3.61Å; A566-W611 HydrophobicContact CB-CZ2 4.34Å; A566-W611 HydrophobicContact CB-CZ3 3.32Å; S609-W611 VanDerWaalsContact CB-CE2 3.48Å; W611-L811 HydrophobicContact CH2-CD2 3.86Å; W611-L811 HydrophobicContact CH2-CG 4.23Å; W611-L811 HydrophobicContact CZ3-CD2 3.79Å; W611-L811 HydrophobicContact CZ3-CG 3.89Å; W611-Q812 HydrophobicContact CD2-CG 3.8Å; W611-Q812 HydrophobicContact CE3-CG 4Å; W611-Q812 HydrophobicContact CG-CG 4.32Å; W611-Q812 HydrophobicContact CH2-CG 4.23Å; W611-Q812 HydrophobicContact CZ2-CG 4.04Å; W611-Q812 HydrophobicContact CZ3-CG 4.21Å; W611-L815 HydrophobicContact CE3-CD1 3.9Å; W611-L815 HydrophobicContact CZ3-CD1 3.86Å
612	C	97.3	Very high	93.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	124.3	166.4	-173.5	0	0	0	0	109.8	R418 A421 S422 Y563 N614 V617	R418-C612 WeakPolarHBondContact CB-O 3.41Å; R418-C612 WeakPolarHBondContact CG-O 3.41Å; A421-C612 HydrophobicContact CB-CB 3.96Å; S422-C612 PolarHBondContact OG-N 2.61Å; Y563-C612 HydrophobicContact CD1-CB 4.31Å; Y563-C612 HydrophobicContact CE1-CB 3.76Å; C612-N614 PolarHBondContact SG-O 2.69Å; C612-V617 VanDerWaalsContact SG-CG2 3.6Å
613	L	96.5	Very high	93	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.1	C	C	.	.			trans	-98.1	-8	178.5	-57.5	-173.1	0	0	0	113.1	D562 R564 L815 K816 Y819	D562-L613 WeakPolarHBondContact O-CB 3.46Å; D562-L613 PolarHBondContact O-N 3.21Å; R564-L613 HydrophobicContact CB-CD1 4.41Å; R564-L613 HydrophobicContact CG-CD1 3.51Å; R564-L613 HydrophobicContact CG-CG 4.27Å; L613-L815 HydrophobicContact CD1-CB 4.17Å; L613-K816 HydrophobicContact CB-CD 4.34Å; L613-K816 HydrophobicContact CD2-CB 4.41Å; L613-K816 VanDerWaalsContact O-CD 3.31Å; L613-K816 WeakPolarHBondContact O-CD 3.47Å; L613-K816 WeakPolarHBondContact O-CE 3.35Å; L613-K816 PolarHBondContact O-NZ 2.96Å; L613-Y819 HydrophobicContact CB-CD1 4.05Å; L613-Y819 HydrophobicContact CB-CD2 4.26Å; L613-Y819 HydrophobicContact CB-CG 3.92Å; L613-Y819 HydrophobicContact CD1-CD2 4.37Å; L613-Y819 HydrophobicContact CD1-CG 4.05Å
614	N	95.4	Very high	92.7	Very high	7 Å²	7	17.6 Å²	17.6	4%	0.037	12%	0.119	C	C	.	.			trans	-122.8	110.1	-176	-171.4	17.7	0	0	0	111.9	D562 C612 A616 V617 E645 Y819 R827	D562-N614 HydrophobicContact CB-CB 3.79Å; D562-N614 VanDerWaalsContact OD2-CB 3.29Å; D562-N614 WeakPolarHBondContact OD2-CB 3.47Å; D562-N614 PolarHBondContact OD2-ND2 2.86Å; C612-N614 PolarHBondContact SG-O 2.69Å; N614-A616 PolarHBondContact O-N 3.26Å; N614-A616 VanDerWaalsContact O-N 3.12Å; N614-A616 PolarHBondContact OD1-N 3.3Å; N614-V617 HydrophobicContact CB-CG2 4.26Å; N614-V617 WeakPolarHBondContact O-CG2 3.23Å; N614-V617 PolarHBondContact O-N 3.34Å; N614-V617 VanDerWaalsContact O-N 3.09Å; N614-E645 PolarHBondContact OD1-O 3.46Å; N614-Y819 HydrophobicContact CB-CE1 4.19Å; N614-Y819 WeakPolarHBondContact CB-OH 3.46Å; N614-Y819 PolarHBondContact ND2-OH 3.4Å; N614-R827 PolarHBondContact ND2-NH1 2.95Å
615	P	95.1	Very high	92.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-18.2	-179.2	18	-20	0	0	0	113.9	E414 A417 R418 V617 A618 F619 E645 L646	E414-P615 HydrophobicContact CB-CG 4.09Å; E414-P615 HydrophobicContact CG-CG 4.21Å; E414-P615 WeakPolarHBondContact O-CB 3.37Å; A417-P615 HydrophobicContact CB-CB 3.62Å; R418-P615 HydrophobicContact CG-CB 4.15Å; R418-P615 HydrophobicContact CG-CG 4.34Å; P615-V617 PolarHBondContact O-N 2.89Å; P615-V617 VanDerWaalsContact O-N 3.15Å; P615-A618 PolarHBondContact O-N 2.9Å; P615-F619 PolarHBondContact O-N 3.28Å; P615-E645 WeakPolarHBondContact CD-O 3.04Å; P615-E645 HydrophobicContact CG-CB 4.22Å; P615-E645 WeakPolarHBondContact CG-O 3.4Å; P615-L646 HydrophobicContact CB-CD2 3.88Å; P615-L646 HydrophobicContact CG-CD2 4.02Å
616	A	94.4	Very high	92.7	Very high	14 Å²	14	15.5 Å²	15.5	12%	0.116	11%	0.113	C	C	.	.	H	α-helix	trans	-56.2	-23.6	170.5	0	0	0	0	0	114.3	N614 F619 S620 E645 L646	N614-A616 PolarHBondContact O-N 3.26Å; N614-A616 VanDerWaalsContact O-N 3.12Å; N614-A616 PolarHBondContact OD1-N 3.3Å; A616-F619 CarbonylContact O-C 3.43Å; A616-F619 PolarHBondContact O-N 2.95Å; A616-S620 PolarHBondContact O-N 2.75Å; A616-E645 PolarHBondContact N-O 3.21Å; A616-L646 WeakPolarHBondContact CA-O 3.33Å
617	V	94.7	Very high	92.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61	-53.4	177.2	178	0	0	0	0	110.7	A421 F551 F559 D562 Y563 C612 N614 P615 F619 S620	A421-V617 HydrophobicContact CB-CB 4.45Å; A421-V617 HydrophobicContact CB-CG1 4.11Å; F551-V617 HydrophobicContact CB-CG1 3.88Å; F551-V617 HydrophobicContact CD1-CG1 3.41Å; F551-V617 VanDerWaalsContact CD1-CG1 3.41Å; F551-V617 HydrophobicContact CD2-CG1 4.24Å; F551-V617 HydrophobicContact CE1-CG1 3.91Å; F551-V617 HydrophobicContact CG-CG1 3.6Å; F559-V617 HydrophobicContact CB-CG2 4.16Å; F559-V617 HydrophobicContact CD1-CB 4.43Å; F559-V617 HydrophobicContact CD1-CG2 3.65Å; F559-V617 HydrophobicContact CE1-CG2 4.33Å; F559-V617 HydrophobicContact CG-CG1 4.46Å; F559-V617 HydrophobicContact CG-CG2 4.08Å; D562-V617 HydrophobicContact CB-CG2 3.95Å; Y563-V617 HydrophobicContact CE2-CG1 4.2Å; C612-V617 VanDerWaalsContact SG-CG2 3.6Å; N614-V617 HydrophobicContact CB-CG2 4.26Å; N614-V617 WeakPolarHBondContact O-CG2 3.23Å; N614-V617 PolarHBondContact O-N 3.34Å; N614-V617 VanDerWaalsContact O-N 3.09Å; P615-V617 PolarHBondContact O-N 2.89Å; P615-V617 VanDerWaalsContact O-N 3.15Å; V617-F619 VanDerWaalsContact C-N 3.35Å; V617-S620 WeakPolarHBondContact O-CB 3.31Å; V617-S620 PolarHBondContact O-N 3.16Å; V617-S620 PolarHBondContact O-OG 3.35Å
618	A	93.6	Very high	92.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-69.5	-32	175.8	0	0	0	0	0	112.6	A417 A421 P615 S620	A417-A618 HydrophobicContact CB-CB 4.13Å; A417-A618 WeakPolarHBondContact O-CB 3.41Å; A421-A618 HydrophobicContact CB-CB 4.22Å; P615-A618 PolarHBondContact O-N 2.9Å; A618-S620 VanDerWaalsContact C-N 3.26Å; A618-S620 PolarHBondContact O-N 3.4Å
619	F	93.2	Very high	92.6	Very high	1 Å²	1	17.6 Å²	17.6	0%	0.004	12%	0.117	C	C	.	.	H	α-helix	trans	-73.1	-13.3	176	-91.9	-91.9	0	0	0	114	L388 I413 A417 P615 A616 V617 D621 L622 S623 L646 V648	L388-F619 HydrophobicContact CD2-CD2 4.06Å; L388-F619 HydrophobicContact CD2-CE2 3.64Å; L388-F619 HydrophobicContact CD2-CZ 3.96Å; I413-F619 HydrophobicContact CG1-CE2 4Å; I413-F619 HydrophobicContact CG1-CZ 3.83Å; A417-F619 HydrophobicContact CB-CD2 3.91Å; A417-F619 HydrophobicContact CB-CE2 3.88Å; P615-F619 PolarHBondContact O-N 3.28Å; A616-F619 CarbonylContact O-C 3.43Å; A616-F619 PolarHBondContact O-N 2.95Å; V617-F619 VanDerWaalsContact C-N 3.35Å; F619-D621 VanDerWaalsContact C-N 3.35Å; F619-D621 PolarHBondContact O-N 3.25Å; F619-L622 HydrophobicContact CD1-CB 4.49Å; F619-L622 HydrophobicContact CD1-CD1 3.99Å; F619-L622 HydrophobicContact CE1-CD1 4.04Å; F619-L622 PolarHBondContact O-N 2.81Å; F619-S623 WeakPolarHBondContact O-CB 3.36Å; F619-S623 PolarHBondContact O-N 3.05Å; F619-L646 WeakPolarHBondContact CB-O 3.39Å; F619-L646 HydrophobicContact CD2-CB 4.45Å; F619-L646 HydrophobicContact CD2-CD2 4.02Å; F619-L646 HydrophobicContact CE1-CD1 4.37Å; F619-L646 HydrophobicContact CE2-CD1 4.22Å; F619-L646 HydrophobicContact CE2-CD2 3.76Å; F619-L646 HydrophobicContact CE2-CG 4.43Å; F619-L646 HydrophobicContact CG-CB 4.47Å; F619-L646 HydrophobicContact CZ-CD1 3.98Å; F619-L646 HydrophobicContact CZ-CD2 4.37Å; F619-V648 HydrophobicContact CB-CG2 4.35Å; F619-V648 HydrophobicContact CD1-CG2 3.9Å; F619-V648 HydrophobicContact CG-CG2 4.49Å
620	S	91.3	Very high	92.5	Very high	28 Å²	28	17.6 Å²	17.6	20%	0.196	12%	0.117	C	C	.	.	H	α-helix	trans	-57.2	-47.5	177.6	66.3	0	0	0	0	111.5	R554 A616 V617 A618 L622 S623	R554-S620 PolarHBondContact NH1-OG 3.29Å; A616-S620 PolarHBondContact O-N 2.75Å; V617-S620 WeakPolarHBondContact O-CB 3.31Å; V617-S620 PolarHBondContact O-N 3.16Å; V617-S620 PolarHBondContact O-OG 3.35Å; A618-S620 VanDerWaalsContact C-N 3.26Å; A618-S620 PolarHBondContact O-N 3.4Å; S620-L622 PolarHBondContact O-N 3.08Å; S620-L622 VanDerWaalsContact O-N 3.16Å; S620-S623 PolarHBondContact O-N 2.86Å; S620-S623 PolarHBondContact O-OG 3.45Å
621	D	86.8	Confident	92.4	Very high	36 Å²	36	17.6 Å²	17.6	19%	0.193	12%	0.117	C	C	.	.	H	α-helix	trans	-52.1	-35.2	174	-79.4	21.2	0	0	0	113.4	R393 R554 F619 S625	R393-D621 IonicContact CZ-OD2 2.62Å; R393-D621 VanDerWaalsContact CZ-OD2 3.23Å; R393-D621 IonicContact NH1-OD2 3.81Å; R393-D621 PolarHBondContact NH1-OD2 2.82Å; R393-D621 IonicContact NH2-OD2 3.9Å; R393-D621 PolarHBondContact NH2-OD2 3.43Å; R554-D621 IonicContact CZ-OD1 2.71Å; R554-D621 IonicContact NH1-OD1 3.19Å; R554-D621 PolarHBondContact NH1-OD1 2.84Å; R554-D621 IonicContact NH2-OD1 3.85Å; R554-D621 PolarHBondContact NH2-OD1 2.86Å; F619-D621 VanDerWaalsContact C-N 3.35Å; F619-D621 PolarHBondContact O-N 3.25Å; D621-S625 WeakPolarHBondContact O-CB 3.42Å; D621-S625 PolarHBondContact O-OG 3.48Å
622	L	88.9	Confident	92.2	Very high	1 Å²	1	17 Å²	17	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-87.6	-34.3	-177.5	-57	-178.2	0	0	0	112.2	L388 L400 L405 F619 S620 G624 S625 V626 I629	L388-L622 HydrophobicContact CD2-CD1 3.96Å; L400-L622 HydrophobicContact CD1-CD2 3.46Å; L400-L622 VanDerWaalsContact CD1-CD2 3.46Å; L405-L622 HydrophobicContact CD2-CD1 3.98Å; F619-L622 HydrophobicContact CD1-CB 4.49Å; F619-L622 HydrophobicContact CD1-CD1 3.99Å; F619-L622 HydrophobicContact CE1-CD1 4.04Å; F619-L622 PolarHBondContact O-N 2.81Å; S620-L622 PolarHBondContact O-N 3.08Å; S620-L622 VanDerWaalsContact O-N 3.16Å; L622-G624 VanDerWaalsContact C-N 3.32Å; L622-G624 PolarHBondContact O-N 3.26Å; L622-S625 PolarHBondContact O-N 2.93Å; L622-S625 PolarHBondContact O-OG 3.33Å; L622-V626 HydrophobicContact CD2-CG1 4.36Å; L622-V626 WeakPolarHBondContact O-CG2 3.5Å; L622-V626 PolarHBondContact O-N 3.04Å; L622-I629 HydrophobicContact CB-CD1 4.41Å
623	S	79.7	Confident	91.8	Very high	57 Å²	57	17.1 Å²	17.1	40%	0.399	12%	0.115	S	C	.	.	H	α-helix	trans	-63.3	-32.3	-165.9	68.1	0	0	0	0	114.5	F619 S620	F619-S623 WeakPolarHBondContact O-CB 3.36Å; F619-S623 PolarHBondContact O-N 3.05Å; S620-S623 PolarHBondContact O-N 2.86Å; S620-S623 PolarHBondContact O-OG 3.45Å
624	G	79.6	Confident	91.1	Very high	77 Å²	77	17.6 Å²	17.6	79%	0.794	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-12.5	178.5	0	0	0	0	0	115.4	L622	L622-G624 VanDerWaalsContact C-N 3.32Å; L622-G624 PolarHBondContact O-N 3.26Å
625	S	85.2	Confident	90.4	Very high	38 Å²	38	17.9 Å²	17.9	27%	0.266	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-40.3	-172.1	58.4	0	0	0	0	113.6	E401 G402 D621 L622	E401-S625 WeakPolarHBondContact CA-O 3.33Å; G402-S625 PolarHBondContact N-O 3.35Å; D621-S625 WeakPolarHBondContact O-CB 3.42Å; D621-S625 PolarHBondContact O-OG 3.48Å; L622-S625 PolarHBondContact O-N 2.93Å; L622-S625 PolarHBondContact O-OG 3.33Å
626	V	93.9	Very high	89.6	Confident	13 Å²	13	17.9 Å²	17.9	8%	0.079	12%	0.123	C	C	.	.			trans	-85.4	145.6	-171	-47.2	0	0	0	0	112.5	L400 L622 S628 I629	L400-V626 HydrophobicContact CB-CG1 3.96Å; L622-V626 HydrophobicContact CD2-CG1 4.36Å; L622-V626 WeakPolarHBondContact O-CG2 3.5Å; L622-V626 PolarHBondContact O-N 3.04Å; V626-S628 PolarHBondContact O-N 2.9Å; V626-I629 HydrophobicContact CG2-CD1 3.9Å; V626-I629 HydrophobicContact CG2-CG1 3.42Å; V626-I629 VanDerWaalsContact CG2-CG1 3.42Å
627	R	94	Very high	88.5	Confident	84 Å²	84	19.3 Å²	19.3	32%	0.317	13%	0.131	S	C	.	.	S	Bend	trans	-66.6	-35.9	179.3	172	-177.7	176.6	75.2	12.8	113.1	L35 N36 G38 G402 Q403	L35-R627 PolarHBondContact O-NE 2.75Å; L35-R627 PolarHBondContact O-NH2 3.12Å; N36-R627 PolarHBondContact O-NH2 2.83Å; G38-R627 CarbonylContact C-O 3.58Å; G38-R627 VanDerWaalsContact CA-O 3.27Å; G38-R627 WeakPolarHBondContact CA-O 3.25Å; G402-R627 VanDerWaalsContact O-CB 3.23Å; G402-R627 WeakPolarHBondContact O-CB 3.46Å; Q403-R627 WeakPolarHBondContact O-CB 3.46Å; Q403-R627 PolarHBondContact O-N 3.4Å
628	S	95.4	Very high	87.7	Confident	0 Å²	0	22 Å²	22	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	146.4	179.5	-179.2	0	0	0	0	109.7	Q39 L405 V626	Q39-S628 PolarHBondContact O-OG 2.94Å; L405-S628 PolarHBondContact N-O 2.86Å; V626-S628 PolarHBondContact O-N 2.9Å
629	I	96.2	Very high	87.1	Confident	0 Å²	0	23 Å²	23	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.4	170.4	-57.9	172.6	0	0	0	106.8	H40 C41 L405 L407 L622 V626 L631 V648 F650	H40-I629 CarbonylContact C-O 3.58Å; H40-I629 VanDerWaalsContact CA-O 3.26Å; H40-I629 WeakPolarHBondContact CA-O 3.41Å; H40-I629 HydrophobicContact CB-CB 4.28Å; H40-I629 PolarHBondContact ND1-N 3.02Å; C41-I629 PolarHBondContact N-O 3.46Å; L405-I629 HydrophobicContact CB-CG1 4.22Å; L405-I629 HydrophobicContact CD2-CG1 4.29Å; L405-I629 HydrophobicContact CD2-CG2 4.47Å; L405-I629 CarbonylContact O-C 3.59Å; L405-I629 WeakPolarHBondContact O-CA 3.13Å; L407-I629 HydrophobicContact CD1-CG2 4.29Å; L622-I629 HydrophobicContact CB-CD1 4.41Å; V626-I629 HydrophobicContact CG2-CD1 3.9Å; V626-I629 HydrophobicContact CG2-CG1 3.42Å; V626-I629 VanDerWaalsContact CG2-CG1 3.42Å; I629-L631 HydrophobicContact CG2-CB 4.31Å; I629-V648 HydrophobicContact CD1-CG1 4.45Å; I629-F650 HydrophobicContact CB-CE1 4.36Å; I629-F650 HydrophobicContact CG2-CE1 4.14Å
630	V	96.6	Very high	86.5	Confident	1 Å²	1	25 Å²	25	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	98.7	174.2	-179.4	0	0	0	0	107.8	I31 L35 C41 L43 L55 L405 V406 L407 T632	I31-V630 HydrophobicContact CD1-CG1 4.37Å; I31-V630 HydrophobicContact CG1-CG1 3.89Å; I31-V630 HydrophobicContact CG2-CG2 4.45Å; L35-V630 HydrophobicContact CD2-CG2 4.19Å; C41-V630 HydrophobicContact CB-CG1 4.36Å; C41-V630 HydrophobicContact CB-CG2 4.32Å; L43-V630 HydrophobicContact CD1-CG1 4.07Å; L55-V630 HydrophobicContact CD2-CG1 3.56Å; L405-V630 PolarHBondContact O-N 3Å; V406-V630 CarbonylContact C-O 3.5Å; V406-V630 WeakPolarHBondContact CA-O 3.5Å; V406-V630 HydrophobicContact CG2-CB 4.39Å; L407-V630 PolarHBondContact N-O 3.42Å; V630-T632 HydrophobicContact CG1-CG2 4.21Å
631	L	95.3	Very high	86.1	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	126.9	-172.9	-162.9	161.8	0	0	0	110.6	C41 L42 L43 L407 A410 I413 I629 L636 F642 L646 F650	C41-L631 PolarHBondContact O-N 2.79Å; L42-L631 WeakPolarHBondContact CA-O 3.45Å; L42-L631 HydrophobicContact CD1-CB 4.22Å; L42-L631 HydrophobicContact CD1-CD2 3.76Å; L42-L631 HydrophobicContact CD1-CG 4.43Å; L43-L631 PolarHBondContact N-O 3.45Å; L407-L631 HydrophobicContact CB-CG 4.24Å; L407-L631 HydrophobicContact CD1-CD1 4.28Å; L407-L631 HydrophobicContact CD1-CG 4.43Å; A410-L631 HydrophobicContact CB-CD2 3.56Å; A410-L631 HydrophobicContact CB-CG 3.87Å; I413-L631 HydrophobicContact CG2-CD1 4.31Å; I629-L631 HydrophobicContact CG2-CB 4.31Å; L631-L636 HydrophobicContact CD2-CD1 4.17Å; L631-L636 HydrophobicContact CD2-CD2 4.07Å; L631-F642 HydrophobicContact CD1-CE1 3.8Å; L631-F642 HydrophobicContact CD1-CZ 4.34Å; L631-F642 HydrophobicContact CD2-CE1 3.47Å; L631-F642 VanDerWaalsContact CD2-CE1 3.47Å; L631-F642 HydrophobicContact CD2-CZ 3.69Å; L631-F642 HydrophobicContact CG-CE1 4.29Å; L631-L646 HydrophobicContact CD1-CD1 3.68Å; L631-F650 HydrophobicContact CB-CE1 4.13Å; L631-F650 HydrophobicContact CB-CZ 4.35Å; L631-F650 HydrophobicContact CD1-CZ 3.92Å
632	T	92.9	Very high	86.1	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	142.6	-169.9	67.8	0	0	0	0	113.5	M27 L43 L55 L407 D408 E409 A410 V630	M27-T632 HydrophobicContact CE-CG2 3.7Å; L43-T632 HydrophobicContact CB-CG2 3.97Å; L43-T632 HydrophobicContact CD1-CG2 4.16Å; L43-T632 HydrophobicContact CG-CG2 4.36Å; L43-T632 WeakPolarHBondContact O-CA 3.48Å; L55-T632 HydrophobicContact CD1-CG2 3.95Å; L55-T632 WeakPolarHBondContact CD1-OG1 3.48Å; L55-T632 HydrophobicContact CD2-CG2 3.74Å; L55-T632 HydrophobicContact CG-CG2 4.38Å; L407-T632 PolarHBondContact O-N 3.02Å; L407-T632 PolarHBondContact O-OG1 3.39Å; D408-T632 CarbonylContact C-O 3.47Å; D408-T632 WeakPolarHBondContact CA-OG1 3.17Å; D408-T632 PolarHBondContact OD1-OG1 3.48Å; E409-T632 PolarHBondContact N-O 2.66Å; E409-T632 VanDerWaalsContact N-O 3.08Å; A410-T632 PolarHBondContact N-O 3.06Å; A410-T632 VanDerWaalsContact N-O 3.09Å; V630-T632 HydrophobicContact CG1-CG2 4.21Å
633	S	88.7	Confident	86.2	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.007	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	171.4	166	-169.2	0	0	0	0	109.7	E44 S45 H411	E44-S633 WeakPolarHBondContact CA-O 3.44Å; S45-S633 PolarHBondContact N-O 3.36Å; S45-S633 VanDerWaalsContact N-O 3.12Å; H411-S633 WeakPolarHBondContact CE1-CB 3.3Å; H411-S633 PolarHBondContact CE1-OG 3.16Å; H411-S633 PolarHBondContact ND1-OG 3.34Å
634	G	82.4	Confident	86.7	Confident	10 Å²	10	22.6 Å²	22.6	10%	0.103	16%	0.161	C	C	.	.	S	Bend	trans	-86.4	1.3	177.6	0	0	0	0	0	115.5	S45	S45-G634 VanDerWaalsContact O-CA 3.3Å; S45-G634 WeakPolarHBondContact O-CA 3.37Å
635	T	79.6	Confident	87.3	Confident	14 Å²	14	19 Å²	19	9%	0.086	12%	0.124	C	C	.	.			trans	-140.7	31.1	-169.7	54.5	0	0	0	0	113.7	H411 S637 N845 Q846	H411-T635 WeakPolarHBondContact CB-OG1 3.38Å; T635-S637 VanDerWaalsContact C-N 3.35Å; T635-S637 PolarHBondContact O-N 3.2Å; T635-N845 HydrophobicContact CG2-CB 3.67Å; T635-Q846 HydrophobicContact CG2-CG 4.42Å
636	L	78.7	Confident	87.7	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.111	C	C	.	.			trans	-78.1	-12.3	-175.4	-64.3	176.3	0	0	0	114.7	L42 E44 L631 P638 M639 F642	L42-L636 HydrophobicContact CD1-CD1 3.8Å; L42-L636 HydrophobicContact CG-CD1 4.41Å; E44-L636 HydrophobicContact CB-CB 4.2Å; E44-L636 HydrophobicContact CG-CB 4.35Å; L631-L636 HydrophobicContact CD2-CD1 4.17Å; L631-L636 HydrophobicContact CD2-CD2 4.07Å; L636-P638 CarbonylContact O-C 3.54Å; L636-M639 PolarHBondContact O-N 3.06Å; L636-F642 HydrophobicContact CD2-CD2 4.23Å; L636-F642 HydrophobicContact CD2-CE1 4.06Å; L636-F642 HydrophobicContact CD2-CE2 3.7Å; L636-F642 HydrophobicContact CD2-CZ 3.58Å
637	S	71.2	Confident	87.5	Confident	43 Å²	43	19.1 Å²	19.1	30%	0.301	13%	0.133	S	C	.	.			trans	-62.9	137.4	178.8	-97.8	0	0	0	0	113	E44 T635	E44-S637 PolarHBondContact OE1-N 3.49Å; E44-S637 WeakPolarHBondContact OE2-CA 3.26Å; E44-S637 VanDerWaalsContact OE2-CB 3.26Å; E44-S637 WeakPolarHBondContact OE2-CB 3.34Å; E44-S637 PolarHBondContact OE2-N 2.94Å; E44-S637 VanDerWaalsContact OE2-N 3.08Å; E44-S637 PolarHBondContact OE2-OG 3.08Å; T635-S637 VanDerWaalsContact C-N 3.35Å; T635-S637 PolarHBondContact O-N 3.2Å
638	P	77.7	Confident	87.4	Confident	58 Å²	58	15.4 Å²	15.4	38%	0.377	12%	0.12	S	C	.	.	S	Bend	cis	-84.3	117.8	-1.6	32.4	-32.7	0	0	0	113	L636 G640 S641 L830 I838	L636-P638 CarbonylContact O-C 3.54Å; P638-G640 VanDerWaalsContact C-N 3.28Å; P638-G640 PolarHBondContact O-N 2.64Å; P638-G640 VanDerWaalsContact O-N 3.12Å; P638-S641 PolarHBondContact O-N 3.41Å; P638-S641 VanDerWaalsContact O-N 3.12Å; P638-L830 HydrophobicContact CG-CD1 4.29Å; P638-I838 HydrophobicContact CG-CD1 3.64Å
639	M	81.8	Confident	87.1	Confident	20 Å²	20	23.3 Å²	23.3	10%	0.099	15%	0.154	C	C	.	.	H	α-helix	trans	-55.7	-34.9	-171.6	-56.5	178	79.3	0	0	114.7	L42 E44 L636 S641 F642 S643 Q653 L654 E655	L42-M639 HydrophobicContact CB-CE 4.25Å; L42-M639 HydrophobicContact CD2-CB 3.95Å; L42-M639 HydrophobicContact CD2-CE 4.26Å; L42-M639 WeakPolarHBondContact CD2-O 3.28Å; L42-M639 HydrophobicContact CG-CE 3.84Å; L42-M639 WeakPolarHBondContact O-CE 3.15Å; E44-M639 HydrophobicContact CB-CE 4.32Å; E44-M639 HydrophobicContact CB-SD 4.33Å; L636-M639 PolarHBondContact O-N 3.06Å; M639-S641 PolarHBondContact O-N 3.17Å; M639-F642 WeakPolarHBondContact O-CB 3.49Å; M639-F642 PolarHBondContact O-N 3.22Å; M639-S643 PolarHBondContact O-N 3.31Å; M639-Q653 HydrophobicContact CE-CB 4.08Å; M639-L654 VanDerWaalsContact CE-O 3.26Å; M639-L654 WeakPolarHBondContact CE-O 3.3Å; M639-E655 HydrophobicContact SD-CB 4.12Å
640	G	80.4	Confident	86.9	Confident	43 Å²	43	23.6 Å²	23.6	44%	0.443	16%	0.156	S	C	.	.	H	α-helix	trans	-62.3	-42.2	179.2	0	0	0	0	0	113.2	P638 F642 S643 S644	P638-G640 VanDerWaalsContact C-N 3.28Å; P638-G640 PolarHBondContact O-N 2.64Å; P638-G640 VanDerWaalsContact O-N 3.12Å; G640-F642 VanDerWaalsContact C-N 3.32Å; G640-F642 PolarHBondContact O-N 3.01Å; G640-S643 PolarHBondContact O-N 3.01Å; G640-S644 PolarHBondContact O-N 3.07Å; G640-S644 PolarHBondContact O-OG 2.86Å
641	S	83.1	Confident	86.7	Confident	16 Å²	16	26.7 Å²	26.7	11%	0.112	18%	0.175	C	C	.	.	H	α-helix	trans	-65.3	-39	176.3	-176.8	0	0	0	0	111.9	P638 M639 S643 S644 E645 L830	P638-S641 PolarHBondContact O-N 3.41Å; P638-S641 VanDerWaalsContact O-N 3.12Å; M639-S641 PolarHBondContact O-N 3.17Å; S641-S643 VanDerWaalsContact C-N 3.31Å; S641-S643 PolarHBondContact O-N 3.33Å; S641-S644 PolarHBondContact O-N 2.86Å; S641-S644 VanDerWaalsContact O-N 3.16Å; S641-E645 WeakPolarHBondContact O-CG 3.3Å; S641-E645 PolarHBondContact O-N 3.06Å; S641-L830 VanDerWaalsContact OG-CD1 3.25Å; S641-L830 WeakPolarHBondContact OG-CD1 3.38Å; S641-L830 VanDerWaalsContact OG-CG 3.28Å; S641-L830 WeakPolarHBondContact OG-CG 3.46Å
642	F	87.7	Confident	86.6	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64	-38.9	180	-168.6	-86.3	0	0	0	110.9	L42 A410 I413 E414 L631 L636 M639 G640 S644 L646	L42-F642 HydrophobicContact CD1-CD1 3.61Å; L42-F642 HydrophobicContact CD1-CE1 3.68Å; L42-F642 HydrophobicContact CD2-CD1 4.08Å; A410-F642 WeakPolarHBondContact O-CZ 3.46Å; I413-F642 HydrophobicContact CG2-CE1 4.19Å; I413-F642 HydrophobicContact CG2-CE2 4.13Å; I413-F642 HydrophobicContact CG2-CZ 3.43Å; I413-F642 VanDerWaalsContact CG2-CZ 3.43Å; E414-F642 HydrophobicContact CG-CD2 4.43Å; E414-F642 HydrophobicContact CG-CE2 4.28Å; E414-F642 WeakPolarHBondContact OE1-CD2 3.37Å; L631-F642 HydrophobicContact CD1-CE1 3.8Å; L631-F642 HydrophobicContact CD1-CZ 4.34Å; L631-F642 HydrophobicContact CD2-CE1 3.47Å; L631-F642 VanDerWaalsContact CD2-CE1 3.47Å; L631-F642 HydrophobicContact CD2-CZ 3.69Å; L631-F642 HydrophobicContact CG-CE1 4.29Å; L636-F642 HydrophobicContact CD2-CD2 4.23Å; L636-F642 HydrophobicContact CD2-CE1 4.06Å; L636-F642 HydrophobicContact CD2-CE2 3.7Å; L636-F642 HydrophobicContact CD2-CZ 3.58Å; M639-F642 WeakPolarHBondContact O-CB 3.49Å; M639-F642 PolarHBondContact O-N 3.22Å; G640-F642 VanDerWaalsContact C-N 3.32Å; G640-F642 PolarHBondContact O-N 3.01Å; F642-S644 PolarHBondContact O-N 3.17Å; F642-L646 HydrophobicContact CD1-CD1 3.95Å; F642-L646 HydrophobicContact CD1-CG 4.45Å; F642-L646 HydrophobicContact CE1-CD1 3.45Å; F642-L646 VanDerWaalsContact CE1-CD1 3.45Å; F642-L646 HydrophobicContact CE1-CG 4.3Å; F642-L646 HydrophobicContact CZ-CD1 4.05Å; F642-L646 WeakPolarHBondContact O-CG 3.25Å; F642-L646 PolarHBondContact O-N 2.79Å
643	S	90.7	Very high	86.7	Confident	18 Å²	18	31 Å²	31	13%	0.126	20%	0.195	C	C	.	.	H	α-helix	trans	-61.8	-40.1	171.7	-163.1	0	0	0	0	112.6	M639 G640 S641 G647 V648 F650	M639-S643 PolarHBondContact O-N 3.31Å; G640-S643 PolarHBondContact O-N 3.01Å; S641-S643 VanDerWaalsContact C-N 3.31Å; S641-S643 PolarHBondContact O-N 3.33Å; S643-G647 PolarHBondContact O-N 3.2Å; S643-V648 PolarHBondContact OG-O 2.94Å; S643-F650 PolarHBondContact OG-N 2.97Å
644	S	90.6	Very high	86.8	Confident	38 Å²	38	32.7 Å²	32.7	27%	0.266	20%	0.203	S	C	.	.	H	α-helix	trans	-68.4	-46.2	178.1	-54	0	0	0	0	112.9	G640 S641 F642 L646 G647 G828	G640-S644 PolarHBondContact O-N 3.07Å; G640-S644 PolarHBondContact O-OG 2.86Å; S641-S644 PolarHBondContact O-N 2.86Å; S641-S644 VanDerWaalsContact O-N 3.16Å; F642-S644 PolarHBondContact O-N 3.17Å; S644-L646 VanDerWaalsContact C-N 3.35Å; S644-L646 PolarHBondContact O-N 3.41Å; S644-G647 PolarHBondContact O-N 3.26Å; S644-G647 VanDerWaalsContact O-N 3.12Å; S644-G828 WeakPolarHBondContact CB-O 3.38Å; S644-G828 PolarHBondContact OG-O 3.02Å
645	E	91.9	Very high	87.1	Confident	1 Å²	1	35 Å²	35	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-40.7	-179	-71.5	-78.9	167.7	0	0	112	E414 N614 P615 A616 S641 G647 K816 N820 L829	E414-E645 HydrophobicContact CG-CB 4.34Å; N614-E645 PolarHBondContact OD1-O 3.46Å; P615-E645 WeakPolarHBondContact CD-O 3.04Å; P615-E645 HydrophobicContact CG-CB 4.22Å; P615-E645 WeakPolarHBondContact CG-O 3.4Å; A616-E645 PolarHBondContact N-O 3.21Å; S641-E645 WeakPolarHBondContact O-CG 3.3Å; S641-E645 PolarHBondContact O-N 3.06Å; E645-G647 VanDerWaalsContact C-N 3.27Å; E645-G647 PolarHBondContact O-N 2.99Å; E645-K816 IonicContact OE1-NZ 3.09Å; E645-K816 IonicContact OE2-NZ 2.78Å; E645-K816 PolarHBondContact OE2-NZ 3.41Å; E645-N820 PolarHBondContact OE1-ND2 2.89Å; E645-L829 HydrophobicContact CG-CD2 4.19Å
646	L	92.5	Very high	87.4	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-7.6	177.8	-58.4	-171.3	0	0	0	113.9	I413 E414 P615 A616 F619 L631 F642 S644 V648 F650	I413-L646 HydrophobicContact CG2-CD1 3.91Å; I413-L646 HydrophobicContact CG2-CD2 4.07Å; E414-L646 HydrophobicContact CG-CD2 3.96Å; P615-L646 HydrophobicContact CB-CD2 3.88Å; P615-L646 HydrophobicContact CG-CD2 4.02Å; A616-L646 WeakPolarHBondContact CA-O 3.33Å; F619-L646 WeakPolarHBondContact CB-O 3.39Å; F619-L646 HydrophobicContact CD2-CB 4.45Å; F619-L646 HydrophobicContact CD2-CD2 4.02Å; F619-L646 HydrophobicContact CE1-CD1 4.37Å; F619-L646 HydrophobicContact CE2-CD1 4.22Å; F619-L646 HydrophobicContact CE2-CD2 3.76Å; F619-L646 HydrophobicContact CE2-CG 4.43Å; F619-L646 HydrophobicContact CG-CB 4.47Å; F619-L646 HydrophobicContact CZ-CD1 3.98Å; F619-L646 HydrophobicContact CZ-CD2 4.37Å; L631-L646 HydrophobicContact CD1-CD1 3.68Å; F642-L646 HydrophobicContact CD1-CD1 3.95Å; F642-L646 HydrophobicContact CD1-CG 4.45Å; F642-L646 HydrophobicContact CE1-CD1 3.45Å; F642-L646 VanDerWaalsContact CE1-CD1 3.45Å; F642-L646 HydrophobicContact CE1-CG 4.3Å; F642-L646 HydrophobicContact CZ-CD1 4.05Å; F642-L646 WeakPolarHBondContact O-CG 3.25Å; F642-L646 PolarHBondContact O-N 2.79Å; S644-L646 VanDerWaalsContact C-N 3.35Å; S644-L646 PolarHBondContact O-N 3.41Å; L646-V648 PolarHBondContact O-N 3Å; L646-V648 VanDerWaalsContact O-N 3.08Å; L646-F650 HydrophobicContact CD1-CE2 4.22Å; L646-F650 HydrophobicContact CD1-CZ 4.37Å
647	G	90.8	Very high	87.7	Confident	53 Å²	53	40.1 Å²	40.1	55%	0.546	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	3	-176	0	0	0	0	0	115.4	S643 S644 E645	S643-G647 PolarHBondContact O-N 3.2Å; S644-G647 PolarHBondContact O-N 3.26Å; S644-G647 VanDerWaalsContact O-N 3.12Å; E645-G647 VanDerWaalsContact C-N 3.27Å; E645-G647 PolarHBondContact O-N 2.99Å
648	V	90.4	Very high	88.2	Confident	6 Å²	6	39.5 Å²	39.5	4%	0.036	23%	0.232	C	C	.	.			trans	-101	129.7	-176.5	174.1	0	0	0	0	110.7	H40 F619 I629 S643 L646 F650	H40-V648 HydrophobicContact CB-CG1 4.27Å; F619-V648 HydrophobicContact CB-CG2 4.35Å; F619-V648 HydrophobicContact CD1-CG2 3.9Å; F619-V648 HydrophobicContact CG-CG2 4.49Å; I629-V648 HydrophobicContact CD1-CG1 4.45Å; S643-V648 PolarHBondContact OG-O 2.94Å; L646-V648 PolarHBondContact O-N 3Å; L646-V648 VanDerWaalsContact O-N 3.08Å; V648-F650 HydrophobicContact CB-CD2 4.42Å; V648-F650 HydrophobicContact CB-CE2 3.83Å; V648-F650 HydrophobicContact CB-CZ 4.03Å; V648-F650 HydrophobicContact CG1-CD1 4.39Å; V648-F650 HydrophobicContact CG1-CD2 4.26Å; V648-F650 HydrophobicContact CG1-CE1 4.04Å; V648-F650 HydrophobicContact CG1-CE2 3.89Å; V648-F650 HydrophobicContact CG1-CG 4.5Å; V648-F650 HydrophobicContact CG1-CZ 3.77Å; V648-F650 VanDerWaalsContact O-CD2 3.31Å; V648-F650 WeakPolarHBondContact O-CD2 3.48Å; V648-F650 PolarHBondContact O-N 2.69Å; V648-F650 VanDerWaalsContact O-N 3.14Å
649	K	89.6	Confident	88.5	Confident	166 Å²	166	38.1 Å²	38.1	72%	0.722	22%	0.222	S	C	*	.			trans	-81.3	90.7	177.8	-171.9	176.8	-178.7	176.2	0	111.5	T651	K649-T651 HydrophobicContact CG-CG2 4.25Å; K649-T651 PolarHBondContact O-N 3.02Å
650	F	92.4	Very high	88.7	Confident	6 Å²	6	38.4 Å²	38.4	3%	0.026	22%	0.224	C	C	.	.			trans	-73.6	92.5	172.9	-63.6	-79.9	0	0	0	110.9	H40 L42 I629 L631 S643 L646 V648 I652 Q653	H40-F650 HydrophobicContact CB-CD1 3.61Å; H40-F650 HydrophobicContact CB-CE1 3.94Å; H40-F650 HydrophobicContact CB-CG 4.49Å; L42-F650 HydrophobicContact CB-CB 3.63Å; L42-F650 HydrophobicContact CB-CD1 3.88Å; L42-F650 HydrophobicContact CB-CD2 4.21Å; L42-F650 HydrophobicContact CB-CG 3.64Å; L42-F650 HydrophobicContact CD2-CB 4.43Å; L42-F650 HydrophobicContact CD2-CD2 4.16Å; L42-F650 HydrophobicContact CD2-CG 4.37Å; L42-F650 HydrophobicContact CG-CG 4.46Å; I629-F650 HydrophobicContact CB-CE1 4.36Å; I629-F650 HydrophobicContact CG2-CE1 4.14Å; L631-F650 HydrophobicContact CB-CE1 4.13Å; L631-F650 HydrophobicContact CB-CZ 4.35Å; L631-F650 HydrophobicContact CD1-CZ 3.92Å; S643-F650 PolarHBondContact OG-N 2.97Å; L646-F650 HydrophobicContact CD1-CE2 4.22Å; L646-F650 HydrophobicContact CD1-CZ 4.37Å; V648-F650 HydrophobicContact CB-CD2 4.42Å; V648-F650 HydrophobicContact CB-CE2 3.83Å; V648-F650 HydrophobicContact CB-CZ 4.03Å; V648-F650 HydrophobicContact CG1-CD1 4.39Å; V648-F650 HydrophobicContact CG1-CD2 4.26Å; V648-F650 HydrophobicContact CG1-CE1 4.04Å; V648-F650 HydrophobicContact CG1-CE2 3.89Å; V648-F650 HydrophobicContact CG1-CG 4.5Å; V648-F650 HydrophobicContact CG1-CZ 3.77Å; V648-F650 VanDerWaalsContact O-CD2 3.31Å; V648-F650 WeakPolarHBondContact O-CD2 3.48Å; V648-F650 PolarHBondContact O-N 2.69Å; V648-F650 VanDerWaalsContact O-N 3.14Å; F650-I652 PolarHBondContact O-N 2.88Å; F650-Q653 HydrophobicContact CB-CG 4.41Å; F650-Q653 WeakPolarHBondContact O-CG 3.48Å; F650-Q653 PolarHBondContact O-NE2 2.91Å; F650-Q653 VanDerWaalsContact O-NE2 3.07Å
651	T	92.1	Very high	89	Confident	67 Å²	67	41.2 Å²	41.2	41%	0.411	23%	0.229	S	C	.	.	S	Bend	trans	-69.5	-18.5	-179.8	61.1	0	0	0	0	113.9	Q39 H40 K649	Q39-T651 WeakPolarHBondContact CB-OG1 3.37Å; H40-T651 PolarHBondContact O-N 3.35Å; K649-T651 HydrophobicContact CG-CG2 4.25Å; K649-T651 PolarHBondContact O-N 3.02Å
652	I	93.9	Very high	89.3	Confident	1 Å²	1	47 Å²	47	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	115.3	174.6	-50.1	-169.4	0	0	0	107.8	R33 Q39 H40 C41 L42 F650	R33-I652 HydrophobicContact CB-CD1 3.88Å; R33-I652 HydrophobicContact CG-CD1 3.97Å; Q39-I652 HydrophobicContact CB-CD1 4.19Å; Q39-I652 HydrophobicContact CB-CG1 4.37Å; H40-I652 PolarHBondContact O-N 3.46Å; C41-I652 CarbonylContact C-O 3.59Å; C41-I652 WeakPolarHBondContact CA-O 3.35Å; C41-I652 HydrophobicContact CB-CB 4.37Å; L42-I652 PolarHBondContact N-O 2.96Å; F650-I652 PolarHBondContact O-N 2.88Å
653	Q	93.9	Very high	89.4	Confident	91 Å²	91	51 Å²	51	43%	0.425	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	137.3	176.8	-55.4	-168.6	9.2	0	0	110	L42 M639 F650	L42-Q653 HydrophobicContact CB-CG 4.4Å; L42-Q653 VanDerWaalsContact O-CA 3.32Å; L42-Q653 WeakPolarHBondContact O-CA 3.34Å; M639-Q653 HydrophobicContact CE-CB 4.08Å; F650-Q653 HydrophobicContact CB-CG 4.41Å; F650-Q653 WeakPolarHBondContact O-CG 3.48Å; F650-Q653 PolarHBondContact O-NE2 2.91Å; F650-Q653 VanDerWaalsContact O-NE2 3.07Å
654	L	91.5	Very high	89.5	Confident	35 Å²	35	51 Å²	51	18%	0.183	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	128.9	178.1	179.1	67.5	0	0	0	110.7	A26 M27 L42 L43 E44 M639	A26-L654 HydrophobicContact CB-CD1 4.37Å; A26-L654 HydrophobicContact CB-CD2 4.12Å; M27-L654 HydrophobicContact CB-CD2 4.28Å; L42-L654 PolarHBondContact O-N 3.36Å; L42-L654 VanDerWaalsContact O-N 3.11Å; L43-L654 HydrophobicContact CD2-CB 3.63Å; L43-L654 HydrophobicContact CD2-CD2 4.38Å; E44-L654 PolarHBondContact N-O 3.25Å; M639-L654 VanDerWaalsContact CE-O 3.26Å; M639-L654 WeakPolarHBondContact CE-O 3.3Å
655	E	89.3	Confident	89.6	Confident	60 Å²	60	49.5 Å²	49.5	28%	0.28	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	96.3	167.7	-175.8	-161.8	-154.7	0	0	108.3	M639 K881	M639-E655 HydrophobicContact SD-CB 4.12Å; E655-K881 HydrophobicContact CG-CD 4.12Å; E655-K881 WeakPolarHBondContact OE1-CB 3.35Å; E655-K881 WeakPolarHBondContact OE1-CD 3.3Å; E655-K881 WeakPolarHBondContact OE2-CD 3.38Å; E655-K881 WeakPolarHBondContact OE2-CE 3.15Å; E655-K881 IonicContact OE2-NZ 2.67Å; E655-K881 PolarHBondContact OE2-NZ 3.23Å
656	A	85.7	Confident	89.8	Confident	10 Å²	10	49.8 Å²	49.8	8%	0.083	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-76	142	-174.5	0	0	0	0	0	112.4	E44 P46	E44-A656 WeakPolarHBondContact O-CB 3.44Å; E44-A656 PolarHBondContact O-N 2.79Å; P46-A656 VanDerWaalsContact CD-O 3.3Å; P46-A656 WeakPolarHBondContact CD-O 3.33Å
657	N	83.7	Confident	90	Very high	111 Å²	111	49.8 Å²	49.8	59%	0.594	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-73	151.6	174.4	-64.5	-32.5	0	0	0	111.2	K881	N657-K881 WeakPolarHBondContact OD1-CE 3.19Å; N657-K881 PolarHBondContact OD1-NZ 3.37Å
658	H	82.8	Confident	90.2	Very high	30 Å²	30	47.3 Å²	47.3	14%	0.139	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-69.2	154.7	177.8	-149.2	-65.2	0	0	0	112.2	P46 T47 I660 W882	P46-H658 HydrophobicContact CB-CB 4.43Å; P46-H658 WeakPolarHBondContact CB-CD2 3.41Å; P46-H658 HydrophobicContact CG-CB 4.35Å; T47-H658 PolarHBondContact O-CE1 3.03Å; T47-H658 VanDerWaalsContact O-CE1 3.29Å; T47-H658 PolarHBondContact O-NE2 3.03Å; H658-I660 HydrophobicContact CB-CG1 4.22Å; H658-I660 WeakPolarHBondContact ND1-CG1 3.32Å; H658-W882 HydrophobicContact CB-CB 3.78Å; H658-W882 HydrophobicContact CB-CG 4.25Å; H658-W882 AromaticContact CD2-CD1 3.7Å; H658-W882 AromaticContact CD2-CD2 3.45Å; H658-W882 VanDerWaalsContact CD2-CD2 3.45Å; H658-W882 AromaticContact CD2-CE2 3.7Å; H658-W882 AromaticContact CD2-CE3 3.98Å; H658-W882 AromaticContact CD2-CG 3.45Å; H658-W882 VanDerWaalsContact CD2-CG 3.45Å; H658-W882 AromaticContact CD2-NE1 3.84Å; H658-W882 AromaticContact NE2-CE2 3.98Å
659	V	83.5	Confident	90.4	Very high	28 Å²	28	47.1 Å²	47.1	17%	0.17	24%	0.242	C	C	.	.	S	Bend	trans	-91.6	12.7	-177.8	-59.8	0	0	0	0	114.8	Y21 S23 R855	Y21-V659 HydrophobicContact CD2-CG1 3.91Å; Y21-V659 HydrophobicContact CG-CG1 4.04Å; S23-V659 VanDerWaalsContact OG-CG1 3.28Å; S23-V659 WeakPolarHBondContact OG-CG1 3.41Å; V659-R855 HydrophobicContact CB-CB 4.34Å; V659-R855 HydrophobicContact CG2-CB 4.1Å; V659-R855 WeakPolarHBondContact O-CB 3.5Å
660	I	86.6	Confident	90.7	Very high	26 Å²	26	39.3 Å²	39.3	13%	0.133	21%	0.208	C	C	.	.	S	Bend	trans	-109.5	152.9	-174.9	62.2	-172.4	0	0	0	111.8	H658 V665 I852 W882	H658-I660 HydrophobicContact CB-CG1 4.22Å; H658-I660 WeakPolarHBondContact ND1-CG1 3.32Å; I660-V665 HydrophobicContact CD1-CG2 3.71Å; I660-I852 HydrophobicContact CD1-CG2 4.29Å; I660-I852 HydrophobicContact CG2-CG2 3.79Å; I660-W882 HydrophobicContact CD1-CE3 3.92Å; I660-W882 HydrophobicContact CD1-CZ3 3.95Å
661	N	86.7	Confident	90.7	Very high	103 Å²	103	39.2 Å²	39.2	55%	0.551	21%	0.209	S	C	*	.			trans	-81.2	149.2	170.2	-57.7	-76	0	0	0	110.6	S663 Q664	N661-S663 PolarHBondContact O-N 2.81Å; N661-S663 VanDerWaalsContact O-N 3.13Å; N661-Q664 HydrophobicContact CB-CG 4.44Å; N661-Q664 VanDerWaalsContact CB-OE1 3.26Å; N661-Q664 PolarHBondContact ND2-OE1 2.93Å; N661-Q664 WeakPolarHBondContact O-CB 3.41Å; N661-Q664 PolarHBondContact O-N 2.98Å
662	K	87.9	Confident	90.7	Very high	136 Å²	136	36.9 Å²	36.9	59%	0.591	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-61.9	-21.9	-178.8	-60.5	-159.5	170	-161.7	0	114.1	Q664 L886	K662-Q664 VanDerWaalsContact C-N 3.34Å; K662-L886 HydrophobicContact CB-CD2 3.74Å; K662-L886 HydrophobicContact CD-CD2 3.8Å; K662-L886 HydrophobicContact CG-CD2 3.77Å
663	S	90.4	Very high	90.7	Very high	85 Å²	85	37 Å²	37	59%	0.594	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-77.4	-13.9	176.3	48.6	0	0	0	0	114.3	N661 F903 F907	N661-S663 PolarHBondContact O-N 2.81Å; N661-S663 VanDerWaalsContact O-N 3.13Å; S663-F903 WeakPolarHBondContact O-CE2 3.49Å; S663-F907 WeakPolarHBondContact O-CZ 3.25Å
664	Q	92.7	Very high	90.7	Very high	19 Å²	19	34.6 Å²	34.6	9%	0.089	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-87.4	-11.9	-177.9	-69.5	169.9	-103.8	0	0	113.6	N661 K662 R855 D857 W858 G859	N661-Q664 HydrophobicContact CB-CG 4.44Å; N661-Q664 VanDerWaalsContact CB-OE1 3.26Å; N661-Q664 PolarHBondContact ND2-OE1 2.93Å; N661-Q664 WeakPolarHBondContact O-CB 3.41Å; N661-Q664 PolarHBondContact O-N 2.98Å; K662-Q664 VanDerWaalsContact C-N 3.34Å; Q664-R855 PolarHBondContact NE2-O 2.69Å; Q664-D857 PolarHBondContact NE2-O 2.94Å; Q664-W858 HydrophobicContact CB-CB 4.31Å; Q664-W858 WeakPolarHBondContact O-CA 3.43Å; Q664-W858 VanDerWaalsContact O-CB 3.3Å; Q664-W858 WeakPolarHBondContact O-CB 3.42Å; Q664-G859 PolarHBondContact O-N 2.88Å; Q664-G859 VanDerWaalsContact O-N 3.12Å
665	V	93.9	Very high	90.7	Very high	6 Å²	6	37.3 Å²	37.3	4%	0.036	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	118.9	-177.8	-179.8	0	0	0	0	111.6	I660 V667 I852 G859 L861 W882 L886	I660-V665 HydrophobicContact CD1-CG2 3.71Å; V665-V667 HydrophobicContact CG1-CG2 3.73Å; V665-I852 HydrophobicContact CG2-CD1 3.57Å; V665-I852 HydrophobicContact CG2-CG1 3.74Å; V665-G859 WeakPolarHBondContact CA-O 3.22Å; V665-L861 HydrophobicContact CG1-CD1 4.29Å; V665-L861 HydrophobicContact CG1-CG 4.22Å; V665-W882 HydrophobicContact CG1-CZ3 4.3Å; V665-L886 HydrophobicContact CB-CD1 4.2Å; V665-L886 HydrophobicContact CG1-CD1 4.42Å
666	W	95.9	Very high	90.7	Very high	7 Å²	7	37 Å²	37	3%	0.027	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	134.7	167.2	-172.6	97.8	0	0	0	109.4	G668 G859 A860 L861 I862 H890 S899 L900 F903	W666-G668 VanDerWaalsContact CZ3-CA 3.49Å; W666-G668 VanDerWaalsContact CZ3-N 3.26Å; W666-G859 PolarHBondContact N-O 3.47Å; W666-A860 HydrophobicContact CB-CB 4.23Å; W666-A860 HydrophobicContact CE3-CB 4.12Å; W666-A860 WeakPolarHBondContact O-CA 3.21Å; W666-L861 PolarHBondContact O-N 2.8Å; W666-I862 HydrophobicContact CE3-CG1 4.29Å; W666-I862 HydrophobicContact CH2-CG1 4.38Å; W666-I862 HydrophobicContact CZ3-CB 4.44Å; W666-I862 HydrophobicContact CZ3-CG1 3.58Å; W666-H890 AromaticContact CZ2-NE2 3.55Å; W666-S899 PolarHBondContact NE1-OG 2.83Å; W666-L900 HydrophobicContact CD2-CD1 3.86Å; W666-L900 HydrophobicContact CE3-CD1 3.88Å; W666-L900 HydrophobicContact CG-CD1 4.28Å; W666-L900 HydrophobicContact CH2-CB 4.5Å; W666-L900 HydrophobicContact CZ2-CB 4.08Å; W666-L900 HydrophobicContact CZ3-CD1 4.24Å; W666-F903 HydrophobicContact CB-CB 4.37Å; W666-F903 HydrophobicContact CB-CD1 3.66Å; W666-F903 HydrophobicContact CB-CD2 3.84Å; W666-F903 HydrophobicContact CB-CE1 3.77Å; W666-F903 HydrophobicContact CB-CE2 3.93Å; W666-F903 HydrophobicContact CB-CG 3.69Å; W666-F903 HydrophobicContact CB-CZ 3.9Å; W666-F903 HydrophobicContact CG-CB 4.36Å; W666-F903 HydrophobicContact CG-CD1 4.33Å; W666-F903 HydrophobicContact CG-CG 4.2Å
667	V	95.9	Very high	91	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	112	175.7	-172.4	0	0	0	0	108.6	V665 L861 L863 V883 L886 V887 Q888	V665-V667 HydrophobicContact CG1-CG2 3.73Å; V667-L861 WeakPolarHBondContact CA-O 3.42Å; V667-L861 HydrophobicContact CB-CB 4.47Å; V667-L861 HydrophobicContact CG1-CB 4.19Å; V667-L861 HydrophobicContact CG2-CB 4.2Å; V667-L861 HydrophobicContact CG2-CD1 4.06Å; V667-L861 HydrophobicContact CG2-CG 4.4Å; V667-L863 HydrophobicContact CG1-CD1 4.42Å; V667-V883 HydrophobicContact CG1-CG1 3.78Å; V667-V883 HydrophobicContact CG2-CG1 4.43Å; V667-L886 HydrophobicContact CB-CB 4.06Å; V667-L886 HydrophobicContact CG2-CB 3.61Å; V667-L886 HydrophobicContact CG2-CD1 4.25Å; V667-V887 HydrophobicContact CG1-CB 4.4Å; V667-V887 HydrophobicContact CG1-CG2 3.76Å; V667-Q888 PolarHBondContact O-N 3.1Å
668	G	95.4	Very high	91.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	138.7	-176.3	0	0	0	0	0	112.8	W666 L861 L863 Q888	W666-G668 VanDerWaalsContact CZ3-CA 3.49Å; W666-G668 VanDerWaalsContact CZ3-N 3.26Å; G668-L861 PolarHBondContact N-O 3.05Å; G668-L863 PolarHBondContact O-N 2.81Å; G668-Q888 WeakPolarHBondContact CA-O 3.4Å
669	T	95.2	Very high	91.8	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.018	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	134.1	172.1	66.2	0	0	0	0	111	L863 Y868 V887 Q888 H889 H890	T669-L863 CarbonylContact C-O 3.5Å; T669-L863 VanDerWaalsContact CA-O 3.27Å; T669-L863 WeakPolarHBondContact CA-O 3.34Å; T669-L863 HydrophobicContact CG2-CB 4.03Å; T669-L863 HydrophobicContact CG2-CD1 4.05Å; T669-Y868 HydrophobicContact CG2-CD2 4.43Å; T669-Y868 HydrophobicContact CG2-CG 3.99Å; T669-V887 HydrophobicContact CG2-CG1 3.77Å; T669-Q888 PolarHBondContact N-O 3.22Å; T669-H889 PolarHBondContact OG1-ND1 2.96Å; T669-H890 PolarHBondContact O-N 3.18Å
670	V	94.8	Very high	92.2	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.012	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	108.9	178.5	-176.5	0	0	0	0	109.2	A672 L679 L698 I862 L863 V864 D865 F893 A896	V670-A672 VanDerWaalsContact CG1-O 3.22Å; V670-A672 WeakPolarHBondContact CG1-O 3.16Å; V670-L679 HydrophobicContact CG1-CD1 4.39Å; V670-L698 HydrophobicContact CB-CD1 4.39Å; V670-L698 HydrophobicContact CG1-CD1 3.77Å; V670-I862 HydrophobicContact CG2-CG2 4.26Å; V670-L863 PolarHBondContact N-O 3.31Å; V670-V864 WeakPolarHBondContact O-CA 3.27Å; V670-D865 PolarHBondContact O-N 3.31Å; V670-F893 HydrophobicContact CG1-CD2 4.04Å; V670-A896 HydrophobicContact CG2-CB 3.88Å
671	G	92.4	Very high	92.3	Very high	4 Å²	4	40.9 Å²	40.9	4%	0.041	22%	0.222	C	C	.	.			trans	-94.8	-12	-179.9	0	0	0	0	0	115.1	L679	G671-L679 PolarHBondContact O-N 3.12Å
672	A	93.5	Very high	92.3	Very high	18 Å²	18	38.1 Å²	38.1	15%	0.149	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-141.1	146.3	179.6	0	0	0	0	0	111.1	V670 R677	V670-A672 VanDerWaalsContact CG1-O 3.22Å; V670-A672 WeakPolarHBondContact CG1-O 3.16Å; A672-R677 CarbonylContact C-O 3.34Å; A672-R677 WeakPolarHBondContact CA-O 3.4Å; A672-R677 WeakPolarHBondContact CB-O 3.5Å
673	G	92.1	Very high	92	Very high	2 Å²	2	37.2 Å²	37.2	2%	0.021	21%	0.205	C	C	.	.			trans	-83.1	-180	-176.2	0	0	0	0	0	114.5	Q675 G676 R677 E694 F893	G673-Q675 VanDerWaalsContact C-N 3.26Å; G673-Q675 PolarHBondContact O-N 3.12Å; G673-G676 WeakPolarHBondContact O-CA 3.41Å; G673-G676 PolarHBondContact O-N 2.92Å; G673-R677 PolarHBondContact N-O 3.07Å; G673-E694 WeakPolarHBondContact CA-OE2 3.38Å; G673-F893 WeakPolarHBondContact O-CB 3.19Å
674	P	93.7	Very high	91.8	Very high	41 Å²	41	37 Å²	37	27%	0.266	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-37.2	174.6	-29.3	34.4	0	0	0	116	G676 E694 D697 L698 F893	P674-G676 VanDerWaalsContact C-N 3.32Å; P674-E694 WeakPolarHBondContact CD-OE2 3.34Å; P674-D697 HydrophobicContact CB-CB 4.46Å; P674-D697 HydrophobicContact CG-CB 3.92Å; P674-L698 HydrophobicContact CG-CB 4.49Å; P674-F893 HydrophobicContact CB-CD1 4.03Å; P674-F893 HydrophobicContact CB-CE1 4.19Å; P674-F893 HydrophobicContact CG-CD1 3.83Å; P674-F893 HydrophobicContact CG-CD2 4.44Å; P674-F893 HydrophobicContact CG-CE1 3.68Å; P674-F893 HydrophobicContact CG-CE2 4.34Å; P674-F893 HydrophobicContact CG-CG 4.21Å; P674-F893 HydrophobicContact CG-CZ 3.95Å
675	Q	92.4	Very high	91.5	Very high	93 Å²	93	40.4 Å²	40.4	44%	0.435	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	8.1	177.3	-55.2	121.4	48.9	0	0	113	G673 R677 E694 D697	G673-Q675 VanDerWaalsContact C-N 3.26Å; G673-Q675 PolarHBondContact O-N 3.12Å; Q675-R677 VanDerWaalsContact C-N 3.35Å; Q675-R677 PolarHBondContact O-N 3.28Å; Q675-E694 WeakPolarHBondContact CA-OE1 3.45Å; Q675-E694 WeakPolarHBondContact CB-OE1 3.48Å; Q675-E694 PolarHBondContact N-OE1 2.89Å; Q675-E694 PolarHBondContact N-OE2 3.18Å; Q675-D697 PolarHBondContact NE2-OD2 3.41Å
676	G	90.2	Very high	91.2	Very high	54 Å²	54	41 Å²	41	56%	0.557	22%	0.215	S	C	*	.	S	Bend	trans	80.5	3.2	175.1	0	0	0	0	0	115.5	G673 P674 E694	G673-G676 WeakPolarHBondContact O-CA 3.41Å; G673-G676 PolarHBondContact O-N 2.92Å; P674-G676 VanDerWaalsContact C-N 3.32Å; G676-E694 PolarHBondContact N-OE1 3.13Å
677	R	91.3	Very high	90.9	Very high	110 Å²	110	44 Å²	44	42%	0.415	23%	0.229	S	C	.	.			trans	-72.1	148	175.5	-51.8	179.8	-169.6	121.4	7	110.1	A672 G673 Q675 L679 A690 E694	A672-R677 CarbonylContact C-O 3.34Å; A672-R677 WeakPolarHBondContact CA-O 3.4Å; A672-R677 WeakPolarHBondContact CB-O 3.5Å; G673-R677 PolarHBondContact N-O 3.07Å; Q675-R677 VanDerWaalsContact C-N 3.35Å; Q675-R677 PolarHBondContact O-N 3.28Å; R677-L679 PolarHBondContact O-N 2.88Å; R677-A690 PolarHBondContact NH1-O 3.34Å; R677-E694 WeakPolarHBondContact CA-OE1 3.28Å; R677-E694 HydrophobicContact CB-CG 4.12Å; R677-E694 WeakPolarHBondContact CB-OE1 3.34Å; R677-E694 HydrophobicContact CG-CG 4.25Å; R677-E694 WeakPolarHBondContact CG-OE1 3.22Å; R677-E694 PolarHBondContact N-OE1 2.91Å
678	K	91.3	Very high	90.9	Very high	140 Å²	140	47 Å²	47	61%	0.609	25%	0.248	S	C	*	.	B	Isolated β-bridge	trans	-67.9	129.7	179.2	-69.4	-173.8	168.9	-153.7	0	111.8	C680 D866	K678-C680 PolarHBondContact O-N 3Å; K678-D866 WeakPolarHBondContact CD-OD2 3.3Å; K678-D866 IonicContact NZ-OD2 2.73Å; K678-D866 PolarHBondContact NZ-OD2 2.83Å
679	L	92.8	Very high	90.8	Very high	1 Å²	1	53 Å²	53	1%	0.005	27%	0.274	C	S	.	.			trans	-92.3	75	176.3	-63.8	179	0	0	0	110.1	V670 G671 R677 F691 E694 V695 L698 V864 D865 D866	V670-L679 HydrophobicContact CG1-CD1 4.39Å; G671-L679 PolarHBondContact O-N 3.12Å; R677-L679 PolarHBondContact O-N 2.88Å; L679-F691 HydrophobicContact CB-CE2 4.41Å; L679-F691 HydrophobicContact CD2-CD2 4.21Å; L679-F691 HydrophobicContact CD2-CE2 4.29Å; L679-E694 HydrophobicContact CD2-CB 3.83Å; L679-V695 HydrophobicContact CD2-CG2 3.92Å; L679-L698 HydrophobicContact CD1-CD1 3.66Å; L679-V864 HydrophobicContact CB-CG1 4.11Å; L679-V864 HydrophobicContact CD1-CG1 3.46Å; L679-V864 VanDerWaalsContact CD1-CG1 3.46Å; L679-V864 HydrophobicContact CG-CG1 4.38Å; L679-D865 CarbonylContact O-C 3.58Å; L679-D865 VanDerWaalsContact O-CA 3.32Å; L679-D865 WeakPolarHBondContact O-CA 3.47Å; L679-D866 PolarHBondContact O-N 3.38Å
680	C	90.6	Very high	90.8	Very high	24 Å²	24	54.8 Å²	54.8	16%	0.162	29%	0.29	C	S	.	.			trans	-93	98.4	174.8	-175.1	0	0	0	0	110	K678 T682 H685	K678-C680 PolarHBondContact O-N 3Å; C680-T682 PolarHBondContact O-N 3.22Å; C680-T682 PolarHBondContact SG-OG1 3.42Å; C680-T682 VanDerWaalsContact SG-OG1 3.33Å; C680-H685 HydrophobicContact CB-CB 4.28Å; C680-H685 WeakPolarHBondContact O-CB 3.35Å
681	A	88.9	Confident	90.8	Very high	11 Å²	11	55.1 Å²	55.1	9%	0.091	29%	0.291	C	S	.	.			trans	-82.4	64	-179.9	0	0	0	0	0	111.5	F691 I801 D865 R867	A681-F691 HydrophobicContact CB-CE2 4.22Å; A681-F691 HydrophobicContact CB-CZ 3.89Å; A681-I801 HydrophobicContact CB-CG2 4.37Å; A681-D865 WeakPolarHBondContact CB-OD2 3.34Å; A681-D865 PolarHBondContact N-OD2 3.15Å; A681-R867 PolarHBondContact O-NH2 3.11Å
682	T	87.6	Confident	91	Very high	44 Å²	44	55.3 Å²	55.3	27%	0.27	29%	0.291	S	S	.	.	S	Bend	trans	-110.3	155.7	169.1	55.1	0	0	0	0	109.3	C680 Q684 H685 S686	C680-T682 PolarHBondContact O-N 3.22Å; C680-T682 PolarHBondContact SG-OG1 3.42Å; C680-T682 VanDerWaalsContact SG-OG1 3.33Å; T682-Q684 PolarHBondContact O-N 2.87Å; T682-H685 PolarHBondContact O-N 2.92Å; T682-H685 VanDerWaalsContact O-N 3.08Å; T682-H685 PolarHBondContact OG1-ND1 3.04Å; T682-S686 WeakPolarHBondContact O-CB 3.44Å; T682-S686 PolarHBondContact O-N 3.03Å; T682-S686 PolarHBondContact O-OG 3.36Å
683	F	81.5	Confident	91.1	Very high	118 Å²	118	56 Å²	56	52%	0.518	29%	0.292	S	S	.	.	H	α-helix	trans	-46.6	-59.5	-174.2	179.2	-107.9	0	0	0	112.7	H685 S686 E687 T1054	F683-H685 VanDerWaalsContact C-N 3.29Å; F683-H685 PolarHBondContact O-N 3.11Å; F683-S686 WeakPolarHBondContact CA-OG 3.38Å; F683-S686 PolarHBondContact O-N 2.88Å; F683-S686 VanDerWaalsContact O-N 3.15Å; F683-S686 PolarHBondContact O-OG 3.45Å; F683-E687 HydrophobicContact CE2-CG 4.42Å; F683-E687 WeakPolarHBondContact CE2-OE1 3.47Å; F683-E687 HydrophobicContact CZ-CG 4.43Å; F683-E687 WeakPolarHBondContact O-CG 3.42Å; F683-E687 PolarHBondContact O-N 3Å; F683-T1054 HydrophobicContact CE1-CG2 3.9Å; F683-T1054 HydrophobicContact CZ-CG2 4.42Å
684	Q	84.9	Confident	91.3	Very high	80 Å²	80	55.9 Å²	55.9	37%	0.374	29%	0.291	S	S	.	.	H	α-helix	trans	-52.2	-41.7	-180	-70.7	169.5	-34	0	0	113.8	T682 F1052	T682-Q684 PolarHBondContact O-N 2.87Å; Q684-F1052 HydrophobicContact CG-CD1 4.43Å; Q684-F1052 HydrophobicContact CG-CE1 4.36Å
685	H	86.1	Confident	91.4	Very high	90 Å²	90	54 Å²	54	42%	0.417	28%	0.278	S	S	.	.	H	α-helix	trans	-80.1	-35.3	-178.4	-69.4	90.8	0	0	0	112.3	C680 T682 F683 E687 T688 F691	C680-H685 HydrophobicContact CB-CB 4.28Å; C680-H685 WeakPolarHBondContact O-CB 3.35Å; T682-H685 PolarHBondContact O-N 2.92Å; T682-H685 VanDerWaalsContact O-N 3.08Å; T682-H685 PolarHBondContact OG1-ND1 3.04Å; F683-H685 VanDerWaalsContact C-N 3.29Å; F683-H685 PolarHBondContact O-N 3.11Å; H685-E687 PolarHBondContact O-N 2.7Å; H685-T688 WeakPolarHBondContact O-CB 3.38Å; H685-T688 PolarHBondContact O-N 2.82Å; H685-T688 PolarHBondContact O-OG1 2.89Å; H685-F691 WeakPolarHBondContact O-CB 3.22Å
686	S	88.8	Confident	91.6	Very high	18 Å²	18	49.5 Å²	49.5	13%	0.126	26%	0.257	C	S	.	.	H	α-helix	trans	-67.6	-21.2	179.2	64.6	0	0	0	0	113.9	T682 F683 T688 Q692	T682-S686 WeakPolarHBondContact O-CB 3.44Å; T682-S686 PolarHBondContact O-N 3.03Å; T682-S686 PolarHBondContact O-OG 3.36Å; F683-S686 WeakPolarHBondContact CA-OG 3.38Å; F683-S686 PolarHBondContact O-N 2.88Å; F683-S686 VanDerWaalsContact O-N 3.15Å; F683-S686 PolarHBondContact O-OG 3.45Å; S686-T688 VanDerWaalsContact C-N 3.26Å; S686-T688 PolarHBondContact O-N 3.29Å; S686-Q692 PolarHBondContact O-NE2 2.05Å
687	E	90.3	Very high	91.9	Very high	70 Å²	70	48.8 Å²	48.8	33%	0.327	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-15.8	170.5	-63.8	-60.5	158.2	0	0	112.9	F683 H685 Q692 K722	F683-E687 HydrophobicContact CE2-CG 4.42Å; F683-E687 WeakPolarHBondContact CE2-OE1 3.47Å; F683-E687 HydrophobicContact CZ-CG 4.43Å; F683-E687 WeakPolarHBondContact O-CG 3.42Å; F683-E687 PolarHBondContact O-N 3Å; H685-E687 PolarHBondContact O-N 2.7Å; E687-Q692 PolarHBondContact O-NE2 3.16Å; E687-K722 IonicContact OE1-NZ 2.85Å; E687-K722 PolarHBondContact OE1-NZ 3.13Å; E687-K722 IonicContact OE2-NZ 2.83Å; E687-K722 PolarHBondContact OE2-NZ 2.8Å
688	T	94.5	Very high	92.2	Very high	63 Å²	63	43.6 Å²	43.6	39%	0.387	22%	0.221	S	C	.	.	S	Bend	trans	-81.7	129.3	-178	71.9	0	0	0	0	111.8	H685 S686 A690 F691 Q692	H685-T688 WeakPolarHBondContact O-CB 3.38Å; H685-T688 PolarHBondContact O-N 2.82Å; H685-T688 PolarHBondContact O-OG1 2.89Å; S686-T688 VanDerWaalsContact C-N 3.26Å; S686-T688 PolarHBondContact O-N 3.29Å; T688-A690 PolarHBondContact O-N 3.35Å; T688-F691 PolarHBondContact O-N 3.04Å; T688-F691 VanDerWaalsContact O-N 3.08Å; T688-F691 WeakPolarHBondContact OG1-CB 3.38Å; T688-F691 PolarHBondContact OG1-N 3.01Å; T688-Q692 WeakPolarHBondContact O-CG 3.48Å; T688-Q692 PolarHBondContact O-N 3.02Å; T688-Q692 VanDerWaalsContact O-N 3.15Å
689	F	94.8	Very high	92.5	Very high	126 Å²	126	36.9 Å²	36.9	55%	0.553	19%	0.192	S	C	*	.	H	α-helix	trans	-54.1	-37.9	174.2	-63.2	-28.8	0	0	0	112.5	F691 Q692 D693	F689-F691 VanDerWaalsContact C-N 3.27Å; F689-F691 PolarHBondContact O-N 3.05Å; F689-Q692 PolarHBondContact O-N 3.06Å; F689-D693 WeakPolarHBondContact O-CB 3.25Å; F689-D693 PolarHBondContact O-N 3.48Å
690	A	94.1	Very high	92.7	Very high	42 Å²	42	37.2 Å²	37.2	35%	0.347	19%	0.193	S	C	.	.	H	α-helix	trans	-61.8	-29.7	179.4	0	0	0	0	0	114.2	R677 T688 E694	R677-A690 PolarHBondContact NH1-O 3.34Å; T688-A690 PolarHBondContact O-N 3.35Å; A690-E694 VanDerWaalsContact O-CG 3.24Å; A690-E694 WeakPolarHBondContact O-CG 3.27Å
691	F	95.4	Very high	93	Very high	9 Å²	9	39.5 Å²	39.5	4%	0.039	20%	0.202	C	C	.	.	H	α-helix	trans	-77.6	-43.9	170.3	170.3	-82.6	0	0	0	111.1	L679 A681 H685 T688 F689 D693 E694 V695 M719 I801	L679-F691 HydrophobicContact CB-CE2 4.41Å; L679-F691 HydrophobicContact CD2-CD2 4.21Å; L679-F691 HydrophobicContact CD2-CE2 4.29Å; A681-F691 HydrophobicContact CB-CE2 4.22Å; A681-F691 HydrophobicContact CB-CZ 3.89Å; H685-F691 WeakPolarHBondContact O-CB 3.22Å; T688-F691 PolarHBondContact O-N 3.04Å; T688-F691 VanDerWaalsContact O-N 3.08Å; T688-F691 WeakPolarHBondContact OG1-CB 3.38Å; T688-F691 PolarHBondContact OG1-N 3.01Å; F689-F691 VanDerWaalsContact C-N 3.27Å; F689-F691 PolarHBondContact O-N 3.05Å; F691-D693 VanDerWaalsContact C-N 3.33Å; F691-D693 PolarHBondContact O-N 3.48Å; F691-E694 PolarHBondContact O-N 3.27Å; F691-V695 HydrophobicContact CD1-CG2 4.17Å; F691-V695 HydrophobicContact CE1-CG2 3.65Å; F691-V695 HydrophobicContact CE2-CG2 4.08Å; F691-V695 HydrophobicContact CZ-CG2 3.6Å; F691-V695 WeakPolarHBondContact O-CG2 3.35Å; F691-V695 PolarHBondContact O-N 3.37Å; F691-M719 HydrophobicContact CE1-CE 3.49Å; F691-M719 VanDerWaalsContact CE1-CE 3.49Å; F691-M719 HydrophobicContact CZ-CE 3.82Å; F691-I801 HydrophobicContact CZ-CG2 4.09Å
692	Q	95.7	Very high	93.4	Very high	8 Å²	8	39 Å²	39	4%	0.037	20%	0.197	C	C	.	.	H	α-helix	trans	-63	-40.1	-176.6	-63.9	168.9	8.1	0	0	111.9	S686 E687 T688 F689 G696 L723 R726 W727	S686-Q692 PolarHBondContact O-NE2 2.05Å; E687-Q692 PolarHBondContact O-NE2 3.16Å; T688-Q692 WeakPolarHBondContact O-CG 3.48Å; T688-Q692 PolarHBondContact O-N 3.02Å; T688-Q692 VanDerWaalsContact O-N 3.15Å; F689-Q692 PolarHBondContact O-N 3.06Å; Q692-G696 PolarHBondContact O-N 3.2Å; Q692-L723 HydrophobicContact CB-CD2 3.71Å; Q692-L723 HydrophobicContact CG-CD2 3.74Å; Q692-R726 HydrophobicContact CB-CB 4.4Å; Q692-R726 HydrophobicContact CB-CG 3.87Å; Q692-W727 PolarHBondContact O-NE1 3.48Å
693	D	95.9	Very high	93.7	Very high	32 Å²	32	37 Å²	37	17%	0.171	19%	0.185	C	C	.	.	H	α-helix	trans	-66.6	-50	176.6	-61.2	-20.3	0	0	0	111	F689 F691 V695 G696 D697 R726	F689-D693 WeakPolarHBondContact O-CB 3.25Å; F689-D693 PolarHBondContact O-N 3.48Å; F691-D693 VanDerWaalsContact C-N 3.33Å; F691-D693 PolarHBondContact O-N 3.48Å; D693-V695 VanDerWaalsContact C-N 3.3Å; D693-V695 PolarHBondContact O-N 3.2Å; D693-G696 WeakPolarHBondContact O-CA 3.49Å; D693-G696 PolarHBondContact O-N 2.98Å; D693-D697 PolarHBondContact O-N 3.21Å; D693-R726 IonicContact OD1-CZ 3.83Å; D693-R726 IonicContact OD1-NE 3.61Å; D693-R726 PolarHBondContact OD1-NE 3.08Å; D693-R726 IonicContact OD1-NH2 2.73Å; D693-R726 PolarHBondContact OD1-NH2 2.89Å; D693-R726 IonicContact OD2-CZ 2.73Å; D693-R726 IonicContact OD2-NE 3.34Å; D693-R726 IonicContact OD2-NH2 2.64Å; D693-R726 PolarHBondContact OD2-NH2 3.24Å
694	E	95.9	Very high	94.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.1	-34.8	178.6	-76.4	-95.8	-129.2	0	0	113.3	G673 P674 Q675 G676 R677 L679 A690 F691 L698	G673-E694 WeakPolarHBondContact CA-OE2 3.38Å; P674-E694 WeakPolarHBondContact CD-OE2 3.34Å; Q675-E694 WeakPolarHBondContact CA-OE1 3.45Å; Q675-E694 WeakPolarHBondContact CB-OE1 3.48Å; Q675-E694 PolarHBondContact N-OE1 2.89Å; Q675-E694 PolarHBondContact N-OE2 3.18Å; G676-E694 PolarHBondContact N-OE1 3.13Å; R677-E694 WeakPolarHBondContact CA-OE1 3.28Å; R677-E694 HydrophobicContact CB-CG 4.12Å; R677-E694 WeakPolarHBondContact CB-OE1 3.34Å; R677-E694 HydrophobicContact CG-CG 4.25Å; R677-E694 WeakPolarHBondContact CG-OE1 3.22Å; R677-E694 PolarHBondContact N-OE1 2.91Å; L679-E694 HydrophobicContact CD2-CB 3.83Å; A690-E694 VanDerWaalsContact O-CG 3.24Å; A690-E694 WeakPolarHBondContact O-CG 3.27Å; F691-E694 PolarHBondContact O-N 3.27Å; E694-L698 WeakPolarHBondContact O-CB 3.39Å; E694-L698 PolarHBondContact O-N 3.1Å
695	V	96.8	Very high	94.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-69.3	-37.6	173.8	172.3	0	0	0	0	111.5	L679 F691 D693 L699 W727 I801	L679-V695 HydrophobicContact CD2-CG2 3.92Å; F691-V695 HydrophobicContact CD1-CG2 4.17Å; F691-V695 HydrophobicContact CE1-CG2 3.65Å; F691-V695 HydrophobicContact CE2-CG2 4.08Å; F691-V695 HydrophobicContact CZ-CG2 3.6Å; F691-V695 WeakPolarHBondContact O-CG2 3.35Å; F691-V695 PolarHBondContact O-N 3.37Å; D693-V695 VanDerWaalsContact C-N 3.3Å; D693-V695 PolarHBondContact O-N 3.2Å; V695-L699 HydrophobicContact CG1-CD1 4.15Å; V695-L699 WeakPolarHBondContact O-CG 3.32Å; V695-L699 PolarHBondContact O-N 2.74Å; V695-W727 HydrophobicContact CB-CZ2 4.42Å; V695-W727 HydrophobicContact CG1-CH2 4.39Å; V695-W727 HydrophobicContact CG1-CZ2 4Å; V695-I801 HydrophobicContact CG1-CD1 3.77Å; V695-I801 HydrophobicContact CG1-CG1 3.94Å; V695-I801 HydrophobicContact CG1-CG2 4.21Å; V695-I801 HydrophobicContact CG2-CG2 4.26Å
696	G	96.9	Very high	95.2	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-68.2	-44.4	175.9	0	0	0	0	0	112.2	Q692 D693 L698 L699 L700	Q692-G696 PolarHBondContact O-N 3.2Å; D693-G696 WeakPolarHBondContact O-CA 3.49Å; D693-G696 PolarHBondContact O-N 2.98Å; G696-L698 VanDerWaalsContact C-N 3.33Å; G696-L698 PolarHBondContact O-N 3.42Å; G696-L699 PolarHBondContact O-N 2.91Å; G696-L700 PolarHBondContact O-N 3.45Å
697	D	97	Very high	95.2	Very high	38 Å²	38	31.9 Å²	31.9	20%	0.203	16%	0.164	C	C	.	.	H	α-helix	trans	-64.9	-37.1	175.6	-74.4	-43	0	0	0	111.6	P674 Q675 D693 L700 H701	P674-D697 HydrophobicContact CB-CB 4.46Å; P674-D697 HydrophobicContact CG-CB 3.92Å; Q675-D697 PolarHBondContact NE2-OD2 3.41Å; D693-D697 PolarHBondContact O-N 3.21Å; D697-L700 PolarHBondContact O-N 2.67Å; D697-H701 PolarHBondContact O-N 3.05Å; D697-H701 VanDerWaalsContact O-N 3.15Å; D697-H701 PolarHBondContact O-ND1 2.93Å
698	L	97.3	Very high	95.3	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-58.8	-47.5	170.8	174	148.8	0	0	0	111.3	V670 P674 L679 E694 G696 L700 H701 V702 V799 V864 F893	V670-L698 HydrophobicContact CB-CD1 4.39Å; V670-L698 HydrophobicContact CG1-CD1 3.77Å; P674-L698 HydrophobicContact CG-CB 4.49Å; L679-L698 HydrophobicContact CD1-CD1 3.66Å; E694-L698 WeakPolarHBondContact O-CB 3.39Å; E694-L698 PolarHBondContact O-N 3.1Å; G696-L698 VanDerWaalsContact C-N 3.33Å; G696-L698 PolarHBondContact O-N 3.42Å; L698-L700 VanDerWaalsContact C-N 3.35Å; L698-L700 PolarHBondContact O-N 2.95Å; L698-H701 PolarHBondContact O-N 2.89Å; L698-V702 HydrophobicContact CD2-CG2 4.38Å; L698-V702 WeakPolarHBondContact O-CG2 3.36Å; L698-V702 PolarHBondContact O-N 3.29Å; L698-V799 HydrophobicContact CD2-CG1 4.34Å; L698-V864 HydrophobicContact CD1-CG1 3.93Å; L698-V864 HydrophobicContact CD1-CG2 4.07Å; L698-V864 HydrophobicContact CD2-CG2 4Å; L698-F893 HydrophobicContact CB-CE2 4.2Å; L698-F893 HydrophobicContact CD1-CD2 4.24Å; L698-F893 HydrophobicContact CD1-CE2 3.96Å; L698-F893 HydrophobicContact CG-CE2 3.8Å
699	L	97.3	Very high	95.4	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.8	-37.3	179.6	-74.7	166.7	0	0	0	112	V695 G696 H701 V702 C703 C712 W727 L736 V799	V695-L699 HydrophobicContact CG1-CD1 4.15Å; V695-L699 WeakPolarHBondContact O-CG 3.32Å; V695-L699 PolarHBondContact O-N 2.74Å; G696-L699 PolarHBondContact O-N 2.91Å; L699-H701 PolarHBondContact O-N 3.3Å; L699-V702 PolarHBondContact O-N 3.22Å; L699-C703 WeakPolarHBondContact O-CB 3.45Å; L699-C703 PolarHBondContact O-N 2.9Å; L699-C703 PolarHBondContact O-SG 3.08Å; L699-C712 HydrophobicContact CD2-CB 4.07Å; L699-W727 HydrophobicContact CD1-CH2 3.43Å; L699-W727 VanDerWaalsContact CD1-CH2 3.43Å; L699-W727 HydrophobicContact CD1-CZ2 4.14Å; L699-W727 HydrophobicContact CD1-CZ3 4.1Å; L699-L736 HydrophobicContact CB-CD2 4.37Å; L699-V799 HydrophobicContact CD2-CB 4.12Å; L699-V799 HydrophobicContact CD2-CG1 3.95Å; L699-V799 HydrophobicContact CD2-CG2 4.01Å
700	L	97.1	Very high	95.5	Very high	7 Å²	7	22 Å²	22	4%	0.037	12%	0.115	C	C	.	.	H	α-helix	trans	-61.2	-43.3	176	-175.3	65.3	0	0	0	111.8	G696 D697 L698 C703 R704 L732 K735 L736 E739	G696-L700 PolarHBondContact O-N 3.45Å; D697-L700 PolarHBondContact O-N 2.67Å; L698-L700 VanDerWaalsContact C-N 3.35Å; L698-L700 PolarHBondContact O-N 2.95Å; L700-C703 PolarHBondContact O-N 3.3Å; L700-R704 WeakPolarHBondContact O-CG 3.36Å; L700-R704 PolarHBondContact O-N 2.66Å; L700-L732 HydrophobicContact CD2-CD1 4.05Å; L700-K735 HydrophobicContact CD1-CB 4.06Å; L700-K735 WeakPolarHBondContact CD1-O 3.41Å; L700-K735 HydrophobicContact CD2-CB 4.11Å; L700-K735 HydrophobicContact CD2-CD 4.42Å; L700-L736 HydrophobicContact CB-CD2 3.95Å; L700-L736 HydrophobicContact CD1-CD2 3.95Å; L700-L736 HydrophobicContact CD1-CG 4.31Å; L700-E739 HydrophobicContact CD1-CG 3.78Å
701	H	96.2	Very high	95.6	Very high	72 Å²	72	20 Å²	20	33%	0.333	10%	0.098	S	C	.	.	H	α-helix	trans	-66.4	-40.9	174.4	-74.5	86.8	0	0	0	112.4	D697 L698 L699 C703 R704 V705 F893 M897	D697-H701 PolarHBondContact O-N 3.05Å; D697-H701 VanDerWaalsContact O-N 3.15Å; D697-H701 PolarHBondContact O-ND1 2.93Å; L698-H701 PolarHBondContact O-N 2.89Å; L699-H701 PolarHBondContact O-N 3.3Å; H701-C703 VanDerWaalsContact C-N 3.33Å; H701-C703 PolarHBondContact O-N 2.93Å; H701-R704 PolarHBondContact O-N 3.19Å; H701-V705 WeakPolarHBondContact O-CG2 3.3Å; H701-V705 PolarHBondContact O-N 2.66Å; H701-V705 VanDerWaalsContact O-N 3.09Å; H701-F893 HydrophobicContact CB-CE1 4.04Å; H701-F893 HydrophobicContact CB-CZ 3.68Å; H701-F893 AromaticContact CG-CE1 3.9Å; H701-M897 HydrophobicContact CB-SD 4.34Å
702	V	96.6	Very high	95.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.3	-41.2	175.2	171.7	0	0	0	0	111.1	L698 L699 R704 V705 M706 V710 V799 I862 M897	L698-V702 HydrophobicContact CD2-CG2 4.38Å; L698-V702 WeakPolarHBondContact O-CG2 3.36Å; L698-V702 PolarHBondContact O-N 3.29Å; L699-V702 PolarHBondContact O-N 3.22Å; V702-R704 VanDerWaalsContact C-N 3.26Å; V702-R704 PolarHBondContact O-N 3.45Å; V702-V705 PolarHBondContact O-N 2.63Å; V702-M706 HydrophobicContact CG1-CG 4.05Å; V702-M706 VanDerWaalsContact O-CB 3.31Å; V702-M706 WeakPolarHBondContact O-CB 3.34Å; V702-M706 WeakPolarHBondContact O-CG 3.33Å; V702-M706 PolarHBondContact O-N 2.9Å; V702-V710 HydrophobicContact CG1-CG1 4.38Å; V702-V799 HydrophobicContact CG1-CG2 3.93Å; V702-I862 HydrophobicContact CB-CD1 4.48Å; V702-I862 HydrophobicContact CG1-CD1 3.63Å; V702-I862 HydrophobicContact CG2-CD1 3.91Å; V702-M897 HydrophobicContact CG2-CE 4.09Å; V702-M897 HydrophobicContact CG2-SD 4.05Å
703	C	95.9	Very high	95.9	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.014	9%	0.094	C	C	.	.	H	α-helix	trans	-67	-23.3	177.5	-72.2	0	0	0	0	114	L699 L700 H701 K740	L699-C703 WeakPolarHBondContact O-CB 3.45Å; L699-C703 PolarHBondContact O-N 2.9Å; L699-C703 PolarHBondContact O-SG 3.08Å; L700-C703 PolarHBondContact O-N 3.3Å; H701-C703 VanDerWaalsContact C-N 3.33Å; H701-C703 PolarHBondContact O-N 2.93Å; C703-K740 HydrophobicContact CB-CD 4.24Å; C703-K740 HydrophobicContact CB-CG 4.25Å; C703-K740 WeakPolarHBondContact O-CE 3.49Å; C703-K740 PolarHBondContact O-NZ 3.33Å
704	R	94.4	Very high	95.9	Very high	130 Å²	130	17.7 Å²	17.7	49%	0.491	9%	0.086	S	C	.	.	H	α-helix	trans	-80.1	-34.6	172.1	-75.3	168.5	172.5	162.1	4.5	113.5	L700 H701 V702 E739	L700-R704 WeakPolarHBondContact O-CG 3.36Å; L700-R704 PolarHBondContact O-N 2.66Å; H701-R704 PolarHBondContact O-N 3.19Å; V702-R704 VanDerWaalsContact C-N 3.26Å; V702-R704 PolarHBondContact O-N 3.45Å; R704-E739 HydrophobicContact CG-CG 4.23Å; R704-E739 WeakPolarHBondContact CG-OE2 3.33Å; R704-E739 IonicContact CZ-OE1 2.66Å; R704-E739 IonicContact NE-OE1 2.9Å; R704-E739 PolarHBondContact NE-OE1 2.66Å; R704-E739 IonicContact NE-OE2 2.67Å; R704-E739 IonicContact NH2-OE1 2.63Å; R704-E739 PolarHBondContact NH2-OE1 2.95Å
705	V	94.3	Very high	95.8	Very high	34 Å²	34	19.4 Å²	19.4	21%	0.206	10%	0.097	C	C	.	.	H	α-helix	trans	-86.8	-29.2	-177.4	175	0	0	0	0	112.3	H701 V702 L900 E901	H701-V705 WeakPolarHBondContact O-CG2 3.3Å; H701-V705 PolarHBondContact O-N 2.66Å; H701-V705 VanDerWaalsContact O-N 3.09Å; V702-V705 PolarHBondContact O-N 2.63Å; V705-L900 HydrophobicContact CB-CD2 4.48Å; V705-L900 HydrophobicContact CG1-CB 4.31Å; V705-L900 HydrophobicContact CG1-CD2 4Å; V705-L900 HydrophobicContact CG1-CG 3.87Å; V705-E901 HydrophobicContact CG1-CB 3.91Å; V705-E901 HydrophobicContact CG1-CG 4.42Å
706	M	93.8	Very high	95.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-103	119.5	-177.8	-63.3	-57.4	-46.5	0	0	111.2	V702 V710 K740 R796 A797 W858 A860 L900 T904	V702-M706 HydrophobicContact CG1-CG 4.05Å; V702-M706 VanDerWaalsContact O-CB 3.31Å; V702-M706 WeakPolarHBondContact O-CB 3.34Å; V702-M706 WeakPolarHBondContact O-CG 3.33Å; V702-M706 PolarHBondContact O-N 2.9Å; M706-V710 HydrophobicContact CB-CG2 4.09Å; M706-K740 WeakPolarHBondContact O-CE 3.36Å; M706-K740 PolarHBondContact O-NZ 3.41Å; M706-R796 HydrophobicContact CE-CB 4.16Å; M706-R796 WeakPolarHBondContact CE-O 3.08Å; M706-A797 HydrophobicContact CB-CB 4.18Å; M706-A797 HydrophobicContact CE-CB 4.15Å; M706-A797 HydrophobicContact CG-CB 3.78Å; M706-A797 HydrophobicContact SD-CB 4.46Å; M706-W858 HydrophobicContact CE-CZ3 4.3Å; M706-A860 HydrophobicContact CE-CB 4.28Å; M706-A860 HydrophobicContact SD-CB 4.22Å; M706-L900 HydrophobicContact CG-CD2 4.15Å; M706-L900 HydrophobicContact SD-CD1 3.65Å; M706-L900 HydrophobicContact SD-CD2 4.06Å; M706-L900 HydrophobicContact SD-CG 3.82Å; M706-T904 PolarHBondContact SD-OG1 2.68Å
707	A	89.5	Confident	95.3	Very high	36 Å²	36	24.8 Å²	24.8	30%	0.298	13%	0.125	S	C	.	.			trans	-72.4	159	174	0	0	0	0	0	112.7	D772	A707-D772 WeakPolarHBondContact CA-OD2 3.36Å; A707-D772 WeakPolarHBondContact CB-OD2 3.11Å
708	K	93.1	Very high	94.9	Very high	52 Å²	52	29.4 Å²	29.4	23%	0.226	14%	0.144	C	C	.	.	S	Bend	trans	59.2	-139.4	173.5	-54.2	-62.9	-160.9	169.1	0	113.6	K740 I765 C768 D772 D793 R796	K708-K740 WeakPolarHBondContact O-CD 3.33Å; K708-K740 WeakPolarHBondContact O-CE 3.45Å; K708-I765 HydrophobicContact CB-CG2 4.36Å; K708-I765 HydrophobicContact CD-CG2 4.48Å; K708-I765 PolarHBondContact NZ-O 3.04Å; K708-I765 VanDerWaalsContact NZ-O 3.16Å; K708-C768 PolarHBondContact NZ-SG 2.85Å; K708-D772 PolarHBondContact N-O 3.14Å; K708-D772 PolarHBondContact N-OD1 2.65Å; K708-D793 HydrophobicContact CB-CB 3.96Å; K708-D793 WeakPolarHBondContact CB-O 3.29Å; K708-D793 HydrophobicContact CG-CB 3.92Å; K708-R796 HydrophobicContact CB-CG 4.45Å
709	G	95.1	Very high	94.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.148	C	C	.	.			trans	-74.6	124.5	-170.5	0	0	0	0	0	114.5	Y761 D793 A795 R796 A797	G709-Y761 WeakPolarHBondContact CA-OH 3.45Å; G709-D793 WeakPolarHBondContact CA-O 3.46Å; G709-D793 PolarHBondContact N-O 3.17Å; G709-A795 CarbonylContact O-C 3.53Å; G709-R796 PolarHBondContact O-N 3.43Å; G709-A797 PolarHBondContact O-N 3.4Å
710	V	97.2	Very high	94.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128	171.6	-178.2	0	0	0	0	109.4	V702 M706 K740 A774 L775 L776 A797 V799	V702-V710 HydrophobicContact CG1-CG1 4.38Å; M706-V710 HydrophobicContact CB-CG2 4.09Å; V710-K740 HydrophobicContact CG2-CD 4.13Å; V710-A774 PolarHBondContact N-O 2.95Å; V710-L775 HydrophobicContact CB-CD1 4.01Å; V710-L775 HydrophobicContact CG1-CD1 3.77Å; V710-L775 WeakPolarHBondContact O-CA 3.18Å; V710-L776 PolarHBondContact O-N 2.99Å; V710-A797 HydrophobicContact CG1-CB 4.31Å; V710-A797 HydrophobicContact CG2-CB 4.39Å; V710-V799 HydrophobicContact CG1-CG2 4.26Å
711	L	97.4	Very high	94.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	130.1	171.9	-55.3	-177.9	0	0	0	109.6	F713 Y761 L776 F790 A795 A797 V798 V799 R850	L711-F713 HydrophobicContact CB-CD2 4.34Å; L711-F713 HydrophobicContact CB-CE2 3.74Å; L711-F713 HydrophobicContact CB-CZ 4.38Å; L711-F713 HydrophobicContact CD1-CE2 4.02Å; L711-F713 HydrophobicContact CD1-CZ 4.21Å; L711-Y761 HydrophobicContact CD2-CE1 4.32Å; L711-Y761 HydrophobicContact CD2-CE2 4.47Å; L711-Y761 VanDerWaalsContact CD2-OH 3.31Å; L711-Y761 WeakPolarHBondContact CD2-OH 3.49Å; L711-L776 HydrophobicContact CD2-CB 3.88Å; L711-L776 HydrophobicContact CD2-CD2 4.07Å; L711-L776 HydrophobicContact CD2-CG 4.35Å; L711-F790 HydrophobicContact CD1-CD2 4.02Å; L711-F790 HydrophobicContact CD1-CE2 4.26Å; L711-F790 HydrophobicContact CD1-CG 4.21Å; L711-F790 HydrophobicContact CD2-CE1 4.26Å; L711-F790 HydrophobicContact CD2-CZ 4.4Å; L711-A795 HydrophobicContact CD1-CB 3.81Å; L711-A795 HydrophobicContact CG-CB 4.15Å; L711-A797 PolarHBondContact N-O 3.25Å; L711-V798 HydrophobicContact CB-CG2 4.24Å; L711-V798 HydrophobicContact CD1-CG2 4.21Å; L711-V798 WeakPolarHBondContact O-CA 3.23Å; L711-V799 PolarHBondContact O-N 3.46Å; L711-R850 HydrophobicContact CD1-CB 3.93Å
712	C	97.9	Very high	94.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	112	174.8	179.5	0	0	0	0	110	L699 L775 L776 I777 A778 V799	L699-C712 HydrophobicContact CD2-CB 4.07Å; C712-L775 HydrophobicContact CB-CD1 4.04Å; C712-L776 PolarHBondContact N-O 2.99Å; C712-I777 HydrophobicContact CB-CG1 4.39Å; C712-I777 CarbonylContact O-C 3.5Å; C712-I777 WeakPolarHBondContact O-CA 3.44Å; C712-A778 PolarHBondContact O-N 3.36Å; C712-V799 CarbonylContact C-O 3.58Å; C712-V799 WeakPolarHBondContact CA-O 3.39Å
713	F	97.8	Very high	94.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	129	-179.6	-68.8	-82.2	0	0	0	112.3	L711 A778 V784 V798 V799 T800 I801 A847 R850	L711-F713 HydrophobicContact CB-CD2 4.34Å; L711-F713 HydrophobicContact CB-CE2 3.74Å; L711-F713 HydrophobicContact CB-CZ 4.38Å; L711-F713 HydrophobicContact CD1-CE2 4.02Å; L711-F713 HydrophobicContact CD1-CZ 4.21Å; F713-A778 WeakPolarHBondContact CA-O 3.43Å; F713-A778 HydrophobicContact CD1-CB 3.72Å; F713-A778 HydrophobicContact CE1-CB 3.67Å; F713-V784 HydrophobicContact CE1-CB 4.44Å; F713-V784 HydrophobicContact CE1-CG1 4.01Å; F713-V784 HydrophobicContact CZ-CG1 4.12Å; F713-V798 HydrophobicContact CD2-CG1 3.8Å; F713-V798 HydrophobicContact CE2-CG1 3.96Å; F713-V799 PolarHBondContact N-O 2.92Å; F713-T800 HydrophobicContact CB-CG2 4.48Å; F713-I801 PolarHBondContact O-N 2.99Å; F713-A847 HydrophobicContact CB-CB 4.2Å; F713-A847 HydrophobicContact CD1-CB 4.16Å; F713-A847 HydrophobicContact CD2-CB 3.68Å; F713-A847 HydrophobicContact CE1-CB 4.48Å; F713-A847 HydrophobicContact CE2-CB 4.01Å; F713-A847 HydrophobicContact CG-CB 3.75Å; F713-A847 HydrophobicContact CZ-CB 4.4Å; F713-R850 HydrophobicContact CZ-CG 4.22Å
714	L	96.1	Very high	94.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	156.2	-179.7	-56.5	179.2	0	0	0	111.6	S716 L720 L723 I777 A778 V779 C780 I801	L714-S716 VanDerWaalsContact C-N 3.33Å; L714-S716 PolarHBondContact O-N 3.48Å; L714-L720 VanDerWaalsContact CD1-CA 3.46Å; L714-L720 HydrophobicContact CD1-CB 3.71Å; L714-L720 HydrophobicContact CD1-CG 4.03Å; L714-L723 HydrophobicContact CD1-CD1 3.95Å; L714-L723 HydrophobicContact CD2-CD1 3.88Å; L714-I777 HydrophobicContact CD1-CG2 3.66Å; L714-I777 HydrophobicContact CG-CG2 4.24Å; L714-A778 PolarHBondContact N-O 3.34Å; L714-V779 WeakPolarHBondContact O-CA 3.18Å; L714-C780 PolarHBondContact O-N 3.45Å; L714-I801 HydrophobicContact CD2-CB 3.67Å; L714-I801 HydrophobicContact CD2-CG1 3.53Å; L714-I801 HydrophobicContact CD2-CG2 4.44Å
715	P	93.5	Very high	94.3	Very high	35 Å²	35	34.7 Å²	34.7	23%	0.227	18%	0.176	C	C	.	.	S	Bend	trans	-68.3	-25.7	-177.7	-22.1	35.8	0	0	0	114.8	M719 I801	P715-M719 WeakPolarHBondContact CD-SD 3.08Å; P715-M719 HydrophobicContact CG-SD 3.94Å; P715-I801 VanDerWaalsContact CD-O 3.26Å; P715-I801 WeakPolarHBondContact CD-O 3.47Å; P715-I801 VanDerWaalsContact CG-O 3.26Å; P715-I801 WeakPolarHBondContact CG-O 3.32Å
716	S	92	Very high	94.4	Very high	48 Å²	48	35.8 Å²	35.8	34%	0.336	18%	0.176	S	C	.	.			trans	-160.8	157.2	-179.4	71.1	0	0	0	0	112.2	L714 K718 M719 L720	L714-S716 VanDerWaalsContact C-N 3.33Å; L714-S716 PolarHBondContact O-N 3.48Å; S716-K718 PolarHBondContact O-N 2.9Å; S716-K718 PolarHBondContact OG-N 3.39Å; S716-M719 PolarHBondContact O-N 3.42Å; S716-M719 VanDerWaalsContact O-N 3.1Å; S716-M719 PolarHBondContact OG-N 2.79Å; S716-L720 PolarHBondContact O-N 2.87Å; S716-L720 VanDerWaalsContact O-N 3.16Å
717	Y	91.4	Very high	94.5	Very high	65 Å²	65	35.9 Å²	35.9	26%	0.255	18%	0.177	S	C	.	.	H	α-helix	trans	-61.2	-28.1	170.9	-59.6	-86.1	0	0	0	112.6	M719 L720 D721 E745 R747 V779	Y717-M719 PolarHBondContact O-N 3.41Å; Y717-L720 PolarHBondContact O-N 3.37Å; Y717-L720 VanDerWaalsContact O-N 3.16Å; Y717-D721 PolarHBondContact O-N 3.32Å; Y717-E745 HydrophobicContact CE1-CG 4.14Å; Y717-E745 PolarHBondContact OH-OE1 3.15Å; Y717-R747 VanDerWaalsContact C-NH2 3.31Å; Y717-R747 HydrophobicContact CD1-CG 3.73Å; Y717-R747 HydrophobicContact CE1-CG 4.46Å; Y717-R747 HydrophobicContact CG-CG 3.94Å; Y717-R747 PolarHBondContact O-NH2 2.89Å; Y717-V779 HydrophobicContact CD1-CB 4.3Å; Y717-V779 HydrophobicContact CD1-CG2 3.53Å; Y717-V779 HydrophobicContact CD2-CB 4.42Å; Y717-V779 HydrophobicContact CD2-CG1 4.14Å; Y717-V779 HydrophobicContact CD2-CG2 4.21Å; Y717-V779 HydrophobicContact CE1-CB 4.14Å; Y717-V779 HydrophobicContact CE1-CG2 3.79Å; Y717-V779 HydrophobicContact CE2-CB 4.25Å; Y717-V779 HydrophobicContact CE2-CG1 4.14Å; Y717-V779 HydrophobicContact CE2-CG2 4.42Å; Y717-V779 HydrophobicContact CG-CB 4.44Å; Y717-V779 HydrophobicContact CG-CG1 4.49Å; Y717-V779 HydrophobicContact CG-CG2 3.76Å
718	K	89.9	Confident	94.9	Very high	136 Å²	136	37.8 Å²	37.8	59%	0.591	19%	0.185	S	C	*	.	H	α-helix	trans	-62.4	-30.7	175.3	-73.7	-166.6	175.2	-170.8	0	112.5	S716 K722	S716-K718 PolarHBondContact O-N 2.9Å; S716-K718 PolarHBondContact OG-N 3.39Å; K718-K722 WeakPolarHBondContact O-CG 3.34Å
719	M	92.4	Very high	95	Very high	20 Å²	20	41.8 Å²	41.8	10%	0.099	21%	0.208	C	C	.	.	H	α-helix	trans	-81.9	-33.6	174.1	-171.6	168	177.1	0	0	112.1	F691 P715 S716 Y717 L723 I801	F691-M719 HydrophobicContact CE1-CE 3.49Å; F691-M719 VanDerWaalsContact CE1-CE 3.49Å; F691-M719 HydrophobicContact CZ-CE 3.82Å; P715-M719 WeakPolarHBondContact CD-SD 3.08Å; P715-M719 HydrophobicContact CG-SD 3.94Å; S716-M719 PolarHBondContact O-N 3.42Å; S716-M719 VanDerWaalsContact O-N 3.1Å; S716-M719 PolarHBondContact OG-N 2.79Å; Y717-M719 PolarHBondContact O-N 3.41Å; M719-L723 HydrophobicContact CE-CD1 4.16Å; M719-L723 HydrophobicContact CG-CD1 4.05Å; M719-L723 HydrophobicContact CG-CG 4.4Å; M719-L723 WeakPolarHBondContact O-CB 3.32Å; M719-L723 VanDerWaalsContact O-CG 3.3Å; M719-L723 WeakPolarHBondContact O-CG 3.48Å; M719-L723 PolarHBondContact O-N 2.69Å; M719-I801 HydrophobicContact CE-CG2 3.76Å
720	L	94.4	Very high	95.1	Very high	7 Å²	7	44.2 Å²	44.2	4%	0.037	22%	0.223	C	C	.	.	H	α-helix	trans	-59.6	-54.4	175.6	-172.2	157.7	0	0	0	111.7	L714 S716 Y717 K722 L723 K724 T744 I777 V779	L714-L720 VanDerWaalsContact CD1-CA 3.46Å; L714-L720 HydrophobicContact CD1-CB 3.71Å; L714-L720 HydrophobicContact CD1-CG 4.03Å; S716-L720 PolarHBondContact O-N 2.87Å; S716-L720 VanDerWaalsContact O-N 3.16Å; Y717-L720 PolarHBondContact O-N 3.37Å; Y717-L720 VanDerWaalsContact O-N 3.16Å; L720-K722 PolarHBondContact O-N 3.48Å; L720-L723 PolarHBondContact O-N 3.48Å; L720-K724 WeakPolarHBondContact O-CB 3.21Å; L720-K724 PolarHBondContact O-N 3.34Å; L720-T744 HydrophobicContact CD2-CG2 3.91Å; L720-T744 HydrophobicContact CG-CG2 4.47Å; L720-I777 HydrophobicContact CD1-CG2 4.04Å; L720-I777 HydrophobicContact CG-CG2 4.02Å; L720-V779 HydrophobicContact CB-CG2 4.37Å; L720-V779 HydrophobicContact CD1-CG2 3.83Å
721	D	93.4	Very high	95.1	Very high	48 Å²	48	45 Å²	45	26%	0.257	23%	0.232	S	C	.	.	H	α-helix	trans	-59.1	-48.5	-179.9	-64	46.2	0	0	0	110.6	Y717 L723 K724 D725 R747	Y717-D721 PolarHBondContact O-N 3.32Å; D721-L723 PolarHBondContact O-N 2.87Å; D721-K724 WeakPolarHBondContact O-CB 3.34Å; D721-K724 PolarHBondContact O-N 3.48Å; D721-K724 VanDerWaalsContact O-N 3.12Å; D721-D725 WeakPolarHBondContact O-CB 3.49Å; D721-D725 PolarHBondContact O-N 3.48Å; D721-R747 VanDerWaalsContact CG-NE 3.27Å; D721-R747 IonicContact OD1-CZ 2.69Å; D721-R747 IonicContact OD1-NE 3.57Å; D721-R747 PolarHBondContact OD1-NE 3.01Å; D721-R747 IonicContact OD1-NH2 3.75Å; D721-R747 PolarHBondContact OD1-NH2 3.18Å; D721-R747 IonicContact OD2-CZ 3.16Å; D721-R747 IonicContact OD2-NE 2.72Å; D721-R747 PolarHBondContact OD2-NE 3.02Å; D721-R747 IonicContact OD2-NH1 2.72Å; D721-R747 IonicContact OD2-NH2 3.74Å; D721-R747 PolarHBondContact OD2-NH2 2.96Å
722	K	93.6	Very high	95	Very high	88 Å²	88	45.4 Å²	45.4	38%	0.383	23%	0.234	S	C	.	.	H	α-helix	trans	-59.8	-41.8	179.8	-72.2	-176.2	178.7	-166.6	0	113.6	E687 K718 L720 R726	E687-K722 IonicContact OE1-NZ 2.85Å; E687-K722 PolarHBondContact OE1-NZ 3.13Å; E687-K722 IonicContact OE2-NZ 2.83Å; E687-K722 PolarHBondContact OE2-NZ 2.8Å; K718-K722 WeakPolarHBondContact O-CG 3.34Å; L720-K722 PolarHBondContact O-N 3.48Å; K722-R726 VanDerWaalsContact O-CB 3.25Å; K722-R726 WeakPolarHBondContact O-CB 3.31Å; K722-R726 PolarHBondContact O-N 3.25Å
723	L	95.8	Very high	95	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-66.3	-44.4	174.8	-71.7	174.8	0	0	0	111.2	Q692 L714 M719 L720 D721 R726 W727	Q692-L723 HydrophobicContact CB-CD2 3.71Å; Q692-L723 HydrophobicContact CG-CD2 3.74Å; L714-L723 HydrophobicContact CD1-CD1 3.95Å; L714-L723 HydrophobicContact CD2-CD1 3.88Å; M719-L723 HydrophobicContact CE-CD1 4.16Å; M719-L723 HydrophobicContact CG-CD1 4.05Å; M719-L723 HydrophobicContact CG-CG 4.4Å; M719-L723 WeakPolarHBondContact O-CB 3.32Å; M719-L723 VanDerWaalsContact O-CG 3.3Å; M719-L723 WeakPolarHBondContact O-CG 3.48Å; M719-L723 PolarHBondContact O-N 2.69Å; L720-L723 PolarHBondContact O-N 3.48Å; D721-L723 PolarHBondContact O-N 2.87Å; L723-R726 PolarHBondContact O-N 2.82Å; L723-W727 HydrophobicContact CB-CD2 4.34Å; L723-W727 HydrophobicContact CB-CE3 4.42Å; L723-W727 HydrophobicContact CB-CH2 3.89Å; L723-W727 HydrophobicContact CB-CZ2 3.81Å; L723-W727 HydrophobicContact CB-CZ3 4.21Å; L723-W727 HydrophobicContact CD1-CH2 4.04Å; L723-W727 HydrophobicContact CD1-CZ2 4.07Å; L723-W727 HydrophobicContact CD2-CH2 4.49Å; L723-W727 HydrophobicContact CD2-CZ2 3.74Å; L723-W727 HydrophobicContact CG-CH2 4.36Å; L723-W727 HydrophobicContact CG-CZ2 4.08Å; L723-W727 WeakPolarHBondContact O-CB 3.46Å; L723-W727 VanDerWaalsContact O-CD2 3.24Å; L723-W727 PolarHBondContact O-N 3.25Å
724	K	95.3	Very high	94.9	Very high	68 Å²	68	53.5 Å²	53.5	30%	0.296	27%	0.27	S	S	.	.	H	α-helix	trans	-57.5	-52.8	176.1	179.5	175.9	-166	166.8	0	111.7	L720 D721 R726 W727 V728 W733 T744	L720-K724 WeakPolarHBondContact O-CB 3.21Å; L720-K724 PolarHBondContact O-N 3.34Å; D721-K724 WeakPolarHBondContact O-CB 3.34Å; D721-K724 PolarHBondContact O-N 3.48Å; D721-K724 VanDerWaalsContact O-N 3.12Å; K724-R726 VanDerWaalsContact C-N 3.31Å; K724-R726 PolarHBondContact O-N 2.9Å; K724-W727 PolarHBondContact O-N 2.98Å; K724-V728 WeakPolarHBondContact O-CG2 3.24Å; K724-V728 PolarHBondContact O-N 2.88Å; K724-W733 HydrophobicContact CB-CZ3 4.19Å; K724-W733 HydrophobicContact CD-CH2 4.35Å; K724-W733 HydrophobicContact CD-CZ3 4.25Å; K724-W733 HydrophobicContact CG-CE3 4.04Å; K724-W733 HydrophobicContact CG-CH2 4.25Å; K724-W733 HydrophobicContact CG-CZ3 3.69Å; K724-T744 HydrophobicContact CD-CG2 4.21Å; K724-T744 PolarHBondContact NZ-OG1 2.85Å
725	D	95.5	Very high	94.9	Very high	89 Å²	89	58 Å²	58	48%	0.476	29%	0.29	S	S	.	.	H	α-helix	trans	-62.5	-40.6	-178.4	-60.7	-23.5	0	0	0	110.7	D721 N729	D721-D725 WeakPolarHBondContact O-CB 3.49Å; D721-D725 PolarHBondContact O-N 3.48Å; D725-N729 WeakPolarHBondContact O-CB 3.19Å; D725-N729 VanDerWaalsContact O-CG 3.27Å; D725-N729 PolarHBondContact O-N 3.36Å; D725-N729 PolarHBondContact O-ND2 3.04Å
726	R	96.4	Very high	95	Very high	57 Å²	57	56.4 Å²	56.4	22%	0.215	28%	0.279	C	S	.	.	H	α-helix	trans	-63.1	-44.7	174	-179.4	63.8	-176.3	171.1	7.3	112.2	Q692 D693 K722 L723 K724 N729 T730	Q692-R726 HydrophobicContact CB-CB 4.4Å; Q692-R726 HydrophobicContact CB-CG 3.87Å; D693-R726 IonicContact OD1-CZ 3.83Å; D693-R726 IonicContact OD1-NE 3.61Å; D693-R726 PolarHBondContact OD1-NE 3.08Å; D693-R726 IonicContact OD1-NH2 2.73Å; D693-R726 PolarHBondContact OD1-NH2 2.89Å; D693-R726 IonicContact OD2-CZ 2.73Å; D693-R726 IonicContact OD2-NE 3.34Å; D693-R726 IonicContact OD2-NH2 2.64Å; D693-R726 PolarHBondContact OD2-NH2 3.24Å; K722-R726 VanDerWaalsContact O-CB 3.25Å; K722-R726 WeakPolarHBondContact O-CB 3.31Å; K722-R726 PolarHBondContact O-N 3.25Å; L723-R726 PolarHBondContact O-N 2.82Å; K724-R726 VanDerWaalsContact C-N 3.31Å; K724-R726 PolarHBondContact O-N 2.9Å; R726-N729 PolarHBondContact O-N 3.45Å; R726-T730 WeakPolarHBondContact O-CB 3.21Å; R726-T730 WeakPolarHBondContact O-CG2 3.37Å; R726-T730 PolarHBondContact O-N 3.44Å; R726-T730 VanDerWaalsContact O-N 3.11Å; R726-T730 PolarHBondContact O-OG1 2.87Å
727	W	97.5	Very high	95.1	Very high	2 Å²	2	56 Å²	56	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-72.6	-32.2	-177.5	-61.5	-19.1	0	0	0	113	Q692 V695 L699 L723 K724 T730 G731 L732 W733 L736 I777	Q692-W727 PolarHBondContact O-NE1 3.48Å; V695-W727 HydrophobicContact CB-CZ2 4.42Å; V695-W727 HydrophobicContact CG1-CH2 4.39Å; V695-W727 HydrophobicContact CG1-CZ2 4Å; L699-W727 HydrophobicContact CD1-CH2 3.43Å; L699-W727 VanDerWaalsContact CD1-CH2 3.43Å; L699-W727 HydrophobicContact CD1-CZ2 4.14Å; L699-W727 HydrophobicContact CD1-CZ3 4.1Å; L723-W727 HydrophobicContact CB-CD2 4.34Å; L723-W727 HydrophobicContact CB-CE3 4.42Å; L723-W727 HydrophobicContact CB-CH2 3.89Å; L723-W727 HydrophobicContact CB-CZ2 3.81Å; L723-W727 HydrophobicContact CB-CZ3 4.21Å; L723-W727 HydrophobicContact CD1-CH2 4.04Å; L723-W727 HydrophobicContact CD1-CZ2 4.07Å; L723-W727 HydrophobicContact CD2-CH2 4.49Å; L723-W727 HydrophobicContact CD2-CZ2 3.74Å; L723-W727 HydrophobicContact CG-CH2 4.36Å; L723-W727 HydrophobicContact CG-CZ2 4.08Å; L723-W727 WeakPolarHBondContact O-CB 3.46Å; L723-W727 VanDerWaalsContact O-CD2 3.24Å; L723-W727 PolarHBondContact O-N 3.25Å; K724-W727 PolarHBondContact O-N 2.98Å; W727-T730 WeakPolarHBondContact CA-OG1 3.22Å; W727-T730 PolarHBondContact O-OG1 3.37Å; W727-G731 PolarHBondContact O-N 2.76Å; W727-L732 HydrophobicContact CB-CB 4.19Å; W727-L732 HydrophobicContact CG-CB 4.47Å; W727-L732 HydrophobicContact CG-CD2 4.38Å; W727-L732 HydrophobicContact CG-CG 4.49Å; W727-L732 PolarHBondContact O-N 3.44Å; W727-W733 HydrophobicContact CB-CB 4.16Å; W727-W733 HydrophobicContact CE3-CE3 4.49Å; W727-W733 PolarHBondContact O-N 2.83Å; W727-L736 HydrophobicContact CE3-CD1 4.16Å; W727-I777 HydrophobicContact CZ3-CD1 3.92Å
728	V	96.6	Very high	95.2	Very high	77 Å²	77	59.1 Å²	59.1	47%	0.467	29%	0.29	S	S	.	.	H	α-helix	trans	-64.6	-52.1	169.2	170.6	0	0	0	0	109.9	K724 T730 G731 W733	K724-V728 WeakPolarHBondContact O-CG2 3.24Å; K724-V728 PolarHBondContact O-N 2.88Å; V728-T730 PolarHBondContact O-N 2.73Å; V728-G731 PolarHBondContact O-N 2.85Å; V728-G731 VanDerWaalsContact O-N 3.13Å; V728-W733 HydrophobicContact CG2-CB 3.93Å; V728-W733 HydrophobicContact CG2-CD2 4.16Å; V728-W733 HydrophobicContact CG2-CE3 4.49Å; V728-W733 HydrophobicContact CG2-CG 3.89Å
729	N	96.5	Very high	95.4	Very high	135 Å²	135	55.3 Å²	55.3	72%	0.722	27%	0.274	S	S	*	.	H	α-helix	trans	-65.8	-11.3	-178.8	-72.8	-46.4	0	0	0	114.9	D725 R726	D725-N729 WeakPolarHBondContact O-CB 3.19Å; D725-N729 VanDerWaalsContact O-CG 3.27Å; D725-N729 PolarHBondContact O-N 3.36Å; D725-N729 PolarHBondContact O-ND2 3.04Å; R726-N729 PolarHBondContact O-N 3.45Å
730	T	96.6	Very high	95.5	Very high	51 Å²	51	54.4 Å²	54.4	31%	0.313	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	1.7	177.5	50.3	0	0	0	0	113.6	R726 W727 V728 L732	R726-T730 WeakPolarHBondContact O-CB 3.21Å; R726-T730 WeakPolarHBondContact O-CG2 3.37Å; R726-T730 PolarHBondContact O-N 3.44Å; R726-T730 VanDerWaalsContact O-N 3.11Å; R726-T730 PolarHBondContact O-OG1 2.87Å; W727-T730 WeakPolarHBondContact CA-OG1 3.22Å; W727-T730 PolarHBondContact O-OG1 3.37Å; V728-T730 PolarHBondContact O-N 2.73Å; T730-L732 PolarHBondContact O-N 3.11Å
731	G	96.5	Very high	95.6	Very high	18 Å²	18	55.4 Å²	55.4	19%	0.186	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	11.9	-173.3	0	0	0	0	0	114	W727 V728 K735	W727-G731 PolarHBondContact O-N 2.76Å; V728-G731 PolarHBondContact O-N 2.85Å; V728-G731 VanDerWaalsContact O-N 3.13Å; G731-K735 WeakPolarHBondContact O-CG 3.37Å; G731-K735 PolarHBondContact O-N 3.21Å
732	L	96.4	Very high	95.7	Very high	7 Å²	7	53.9 Å²	53.9	4%	0.037	27%	0.269	C	S	.	.	H	α-helix	trans	-76.9	-28.7	177.4	-173	52.4	0	0	0	111.6	L700 W727 T730 K735 L736	L700-L732 HydrophobicContact CD2-CD1 4.05Å; W727-L732 HydrophobicContact CB-CB 4.19Å; W727-L732 HydrophobicContact CG-CB 4.47Å; W727-L732 HydrophobicContact CG-CD2 4.38Å; W727-L732 HydrophobicContact CG-CG 4.49Å; W727-L732 PolarHBondContact O-N 3.44Å; T730-L732 PolarHBondContact O-N 3.11Å; L732-K735 HydrophobicContact CD1-CB 4.49Å; L732-K735 HydrophobicContact CD1-CD 4.13Å; L732-K735 PolarHBondContact O-N 3.39Å; L732-L736 WeakPolarHBondContact O-CG 3.35Å; L732-L736 PolarHBondContact O-N 3.46Å
733	W	97	Very high	95.7	Very high	43 Å²	43	50.1 Å²	50.1	16%	0.163	25%	0.253	C	S	.	.	H	α-helix	trans	-61.7	-42.9	171.4	-175.2	-80.5	0	0	0	111.9	K724 W727 V728 K735 L736 D737 V742 T744 I777	K724-W733 HydrophobicContact CB-CZ3 4.19Å; K724-W733 HydrophobicContact CD-CH2 4.35Å; K724-W733 HydrophobicContact CD-CZ3 4.25Å; K724-W733 HydrophobicContact CG-CE3 4.04Å; K724-W733 HydrophobicContact CG-CH2 4.25Å; K724-W733 HydrophobicContact CG-CZ3 3.69Å; W727-W733 HydrophobicContact CB-CB 4.16Å; W727-W733 HydrophobicContact CE3-CE3 4.49Å; W727-W733 PolarHBondContact O-N 2.83Å; V728-W733 HydrophobicContact CG2-CB 3.93Å; V728-W733 HydrophobicContact CG2-CD2 4.16Å; V728-W733 HydrophobicContact CG2-CE3 4.49Å; V728-W733 HydrophobicContact CG2-CG 3.89Å; W733-K735 PolarHBondContact O-N 3.42Å; W733-L736 WeakPolarHBondContact O-CB 3.43Å; W733-L736 PolarHBondContact O-N 3.32Å; W733-D737 PolarHBondContact O-N 2.83Å; W733-V742 HydrophobicContact CD2-CG1 4.5Å; W733-V742 HydrophobicContact CE3-CG1 4.4Å; W733-V742 HydrophobicContact CH2-CB 4.22Å; W733-V742 HydrophobicContact CH2-CG1 3.4Å; W733-V742 VanDerWaalsContact CH2-CG1 3.4Å; W733-V742 HydrophobicContact CZ2-CB 3.79Å; W733-V742 HydrophobicContact CZ2-CG1 3.51Å; W733-V742 HydrophobicContact CZ3-CG1 3.87Å; W733-T744 HydrophobicContact CH2-CG2 3.62Å; W733-T744 HydrophobicContact CZ3-CG2 4.05Å; W733-I777 HydrophobicContact CH2-CD1 4.29Å; W733-I777 HydrophobicContact CZ3-CD1 3.94Å
734	E	96.2	Very high	95.7	Very high	128 Å²	128	51.1 Å²	51.1	60%	0.598	26%	0.259	S	S	*	.	H	α-helix	trans	-64.8	-40.1	178.3	-60.7	177.6	171.1	0	0	111.5	L736 D737 Q738	E734-L736 VanDerWaalsContact C-N 3.33Å; E734-L736 PolarHBondContact O-N 3.47Å; E734-D737 PolarHBondContact O-N 2.87Å; E734-Q738 VanDerWaalsContact O-CG 3.23Å; E734-Q738 WeakPolarHBondContact O-CG 3.48Å; E734-Q738 PolarHBondContact O-N 2.94Å
735	K	96.3	Very high	95.5	Very high	94 Å²	94	48.1 Å²	48.1	41%	0.409	25%	0.246	S	C	.	.	H	α-helix	trans	-62.8	-37.9	173.5	-65	167.9	-167.2	162.7	0	112	L700 G731 L732 W733 E739	L700-K735 HydrophobicContact CD1-CB 4.06Å; L700-K735 WeakPolarHBondContact CD1-O 3.41Å; L700-K735 HydrophobicContact CD2-CB 4.11Å; L700-K735 HydrophobicContact CD2-CD 4.42Å; G731-K735 WeakPolarHBondContact O-CG 3.37Å; G731-K735 PolarHBondContact O-N 3.21Å; L732-K735 HydrophobicContact CD1-CB 4.49Å; L732-K735 HydrophobicContact CD1-CD 4.13Å; L732-K735 PolarHBondContact O-N 3.39Å; W733-K735 PolarHBondContact O-N 3.42Å; K735-E739 WeakPolarHBondContact O-CG 3.34Å
736	L	95.7	Very high	95	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-66.2	-44.7	174.7	-72	164.8	0	0	0	111.1	L699 L700 W727 L732 W733 E734 Q738 E739 K740 V742 L775	L699-L736 HydrophobicContact CB-CD2 4.37Å; L700-L736 HydrophobicContact CB-CD2 3.95Å; L700-L736 HydrophobicContact CD1-CD2 3.95Å; L700-L736 HydrophobicContact CD1-CG 4.31Å; W727-L736 HydrophobicContact CE3-CD1 4.16Å; L732-L736 WeakPolarHBondContact O-CG 3.35Å; L732-L736 PolarHBondContact O-N 3.46Å; W733-L736 WeakPolarHBondContact O-CB 3.43Å; W733-L736 PolarHBondContact O-N 3.32Å; E734-L736 VanDerWaalsContact C-N 3.33Å; E734-L736 PolarHBondContact O-N 3.47Å; L736-Q738 VanDerWaalsContact C-N 3.28Å; L736-Q738 PolarHBondContact O-N 3.1Å; L736-E739 PolarHBondContact O-N 3.42Å; L736-E739 VanDerWaalsContact O-N 3.1Å; L736-K740 PolarHBondContact O-N 3.19Å; L736-V742 HydrophobicContact CB-CG2 3.62Å; L736-L775 HydrophobicContact CD2-CD2 4.12Å
737	D	94.8	Very high	94.1	Very high	41 Å²	41	49.2 Å²	49.2	22%	0.219	25%	0.248	C	C	.	.	H	α-helix	trans	-71.7	-18.5	-178.7	-159.7	58.4	0	0	0	114	W733 E734 K740 T741 V742 R771	W733-D737 PolarHBondContact O-N 2.83Å; E734-D737 PolarHBondContact O-N 2.87Å; D737-K740 WeakPolarHBondContact CA-O 3.45Å; D737-T741 WeakPolarHBondContact OD1-CA 3.49Å; D737-V742 HydrophobicContact CB-CG2 3.98Å; D737-V742 PolarHBondContact OD1-N 3.09Å; D737-R771 PolarHBondContact O-NE 3.19Å; D737-R771 PolarHBondContact O-NH1 2.96Å; D737-R771 PolarHBondContact O-NH2 2.99Å; D737-R771 IonicContact OD1-CZ 3.13Å; D737-R771 IonicContact OD1-NH1 2.77Å; D737-R771 PolarHBondContact OD1-NH1 3.31Å; D737-R771 IonicContact OD1-NH2 3.64Å; D737-R771 IonicContact OD2-CZ 2.78Å; D737-R771 VanDerWaalsContact OD2-CZ 3.26Å; D737-R771 IonicContact OD2-NH1 3.55Å; D737-R771 PolarHBondContact OD2-NH1 2.84Å; D737-R771 VanDerWaalsContact OD2-NH1 3.07Å; D737-R771 IonicContact OD2-NH2 2.71Å; D737-R771 PolarHBondContact OD2-NH2 3.49Å
738	Q	93.4	Very high	92.4	Very high	129 Å²	129	51.1 Å²	51.1	60%	0.603	27%	0.269	S	S	*	.	H	α-helix	trans	-69.5	-36.7	166.9	-74.5	162	15.3	0	0	112.6	E734 L736	E734-Q738 VanDerWaalsContact O-CG 3.23Å; E734-Q738 WeakPolarHBondContact O-CG 3.48Å; E734-Q738 PolarHBondContact O-N 2.94Å; L736-Q738 VanDerWaalsContact C-N 3.28Å; L736-Q738 PolarHBondContact O-N 3.1Å
739	E	93.6	Very high	90.5	Very high	56 Å²	56	49.9 Å²	49.9	26%	0.262	27%	0.271	S	S	.	.	H	α-helix	trans	-84.1	-45.1	-179.2	-52.5	-74.2	167.9	0	0	111.7	L700 R704 K735 L736 D772	L700-E739 HydrophobicContact CD1-CG 3.78Å; R704-E739 HydrophobicContact CG-CG 4.23Å; R704-E739 WeakPolarHBondContact CG-OE2 3.33Å; R704-E739 IonicContact CZ-OE1 2.66Å; R704-E739 IonicContact NE-OE1 2.9Å; R704-E739 PolarHBondContact NE-OE1 2.66Å; R704-E739 IonicContact NE-OE2 2.67Å; R704-E739 IonicContact NH2-OE1 2.63Å; R704-E739 PolarHBondContact NH2-OE1 2.95Å; K735-E739 WeakPolarHBondContact O-CG 3.34Å; L736-E739 PolarHBondContact O-N 3.42Å; L736-E739 VanDerWaalsContact O-N 3.1Å; E739-D772 PolarHBondContact O-N 2.98Å; E739-D772 VanDerWaalsContact O-N 3.13Å
740	K	94.7	Very high	88.7	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.009	25%	0.254	C	S	.	.	S	Bend	trans	-149.6	140.7	-176.7	-60	-158	-171.5	-43.4	0	111.2	C703 M706 K708 V710 L736 D737 V742 D772 G773 L775	C703-K740 HydrophobicContact CB-CD 4.24Å; C703-K740 HydrophobicContact CB-CG 4.25Å; C703-K740 WeakPolarHBondContact O-CE 3.49Å; C703-K740 PolarHBondContact O-NZ 3.33Å; M706-K740 WeakPolarHBondContact O-CE 3.36Å; M706-K740 PolarHBondContact O-NZ 3.41Å; K708-K740 WeakPolarHBondContact O-CD 3.33Å; K708-K740 WeakPolarHBondContact O-CE 3.45Å; V710-K740 HydrophobicContact CG2-CD 4.13Å; L736-K740 PolarHBondContact O-N 3.19Å; D737-K740 WeakPolarHBondContact CA-O 3.45Å; K740-V742 WeakPolarHBondContact O-CG2 3.35Å; K740-V742 PolarHBondContact O-N 2.92Å; K740-V742 VanDerWaalsContact O-N 3.11Å; K740-D772 WeakPolarHBondContact CD-O 3.49Å; K740-D772 WeakPolarHBondContact CE-O 3.26Å; K740-D772 WeakPolarHBondContact CG-O 3.48Å; K740-D772 PolarHBondContact NZ-O 3.5Å; K740-D772 IonicContact NZ-OD2 3.07Å; K740-G773 WeakPolarHBondContact CA-O 3.47Å; K740-L775 HydrophobicContact CB-CB 4.43Å
741	T	95.5	Very high	87	Confident	28 Å²	28	49 Å²	49	17%	0.172	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	117	177.1	-63.1	0	0	0	0	111.7	D737 I743 A764 R771 G773 A774 L775	D737-T741 WeakPolarHBondContact OD1-CA 3.49Å; T741-I743 HydrophobicContact CG2-CD1 4.45Å; T741-I743 HydrophobicContact CG2-CG1 4.28Å; T741-A764 HydrophobicContact CG2-CB 4.42Å; T741-R771 VanDerWaalsContact OG1-CD 3.24Å; T741-R771 WeakPolarHBondContact OG1-CD 3.2Å; T741-R771 PolarHBondContact OG1-NH1 3.24Å; T741-G773 PolarHBondContact N-O 3.15Å; T741-A774 CarbonylContact O-C 3.54Å; T741-A774 VanDerWaalsContact O-CA 3.28Å; T741-A774 WeakPolarHBondContact O-CA 3.33Å; T741-A774 WeakPolarHBondContact O-CB 3.48Å; T741-L775 PolarHBondContact O-N 2.97Å
742	V	95.7	Very high	85.7	Confident	16 Å²	16	49.8 Å²	49.8	10%	0.097	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	122.1	-173.2	-168.7	0	0	0	0	111.5	W733 L736 D737 K740 L775 I777	W733-V742 HydrophobicContact CD2-CG1 4.5Å; W733-V742 HydrophobicContact CE3-CG1 4.4Å; W733-V742 HydrophobicContact CH2-CB 4.22Å; W733-V742 HydrophobicContact CH2-CG1 3.4Å; W733-V742 VanDerWaalsContact CH2-CG1 3.4Å; W733-V742 HydrophobicContact CZ2-CB 3.79Å; W733-V742 HydrophobicContact CZ2-CG1 3.51Å; W733-V742 HydrophobicContact CZ3-CG1 3.87Å; L736-V742 HydrophobicContact CB-CG2 3.62Å; D737-V742 HydrophobicContact CB-CG2 3.98Å; D737-V742 PolarHBondContact OD1-N 3.09Å; K740-V742 WeakPolarHBondContact O-CG2 3.35Å; K740-V742 PolarHBondContact O-N 2.92Å; K740-V742 VanDerWaalsContact O-N 3.11Å; V742-L775 HydrophobicContact CG1-CD2 4.27Å; V742-L775 HydrophobicContact CG1-CG 4.5Å; V742-L775 HydrophobicContact CG2-CD2 4.47Å; V742-I777 HydrophobicContact CG1-CD1 3.73Å
743	I	94.7	Very high	84.7	Confident	9 Å²	9	53.7 Å²	53.7	5%	0.046	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	137	-178	-59	-179.5	0	0	0	109.1	T741 L757 M760 Y761 L775 L776 I777	T741-I743 HydrophobicContact CG2-CD1 4.45Å; T741-I743 HydrophobicContact CG2-CG1 4.28Å; I743-L757 HydrophobicContact CG2-CD1 3.76Å; I743-L757 HydrophobicContact CG2-CD2 3.61Å; I743-L757 HydrophobicContact CG2-CG 3.52Å; I743-M760 HydrophobicContact CD1-CB 4.32Å; I743-M760 HydrophobicContact CD1-CG 4.02Å; I743-M760 HydrophobicContact CD1-SD 4.15Å; I743-Y761 HydrophobicContact CD1-CD2 4.31Å; I743-L775 PolarHBondContact N-O 3.33Å; I743-L776 HydrophobicContact CB-CD1 4.08Å; I743-L776 HydrophobicContact CG2-CD1 3.76Å; I743-L776 WeakPolarHBondContact O-CA 3.47Å; I743-I777 PolarHBondContact O-N 2.95Å
744	T	94.2	Very high	84.1	Confident	23 Å²	23	52.3 Å²	52.3	14%	0.141	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	133.4	175.3	44.6	0	0	0	0	111.9	L720 K724 W733 I777	L720-T744 HydrophobicContact CD2-CG2 3.91Å; L720-T744 HydrophobicContact CG-CG2 4.47Å; K724-T744 HydrophobicContact CD-CG2 4.21Å; K724-T744 PolarHBondContact NZ-OG1 2.85Å; W733-T744 HydrophobicContact CH2-CG2 3.62Å; W733-T744 HydrophobicContact CZ3-CG2 4.05Å; T744-I777 CarbonylContact C-O 3.56Å; T744-I777 WeakPolarHBondContact CA-O 3.46Å; T744-I777 HydrophobicContact CG2-CB 3.91Å; T744-I777 HydrophobicContact CG2-CD1 4.06Å; T744-I777 HydrophobicContact CG2-CG2 4.34Å
745	E	90.7	Very high	83.5	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.019	28%	0.276	C	S	.	.			trans	-57	126.8	173.4	-174.5	-179.9	173.9	0	0	111.8	Y717 F754 I777 A778 V779 G782 K783 V784	Y717-E745 HydrophobicContact CE1-CG 4.14Å; Y717-E745 PolarHBondContact OH-OE1 3.15Å; E745-F754 HydrophobicContact CG-CE2 4.47Å; E745-I777 PolarHBondContact N-O 3.35Å; E745-A778 HydrophobicContact CB-CB 4.41Å; E745-A778 WeakPolarHBondContact OE2-CA 3.24Å; E745-A778 WeakPolarHBondContact OE2-CB 3.46Å; E745-V779 PolarHBondContact OE2-N 3Å; E745-G782 VanDerWaalsContact OE1-CA 3.22Å; E745-G782 WeakPolarHBondContact OE1-CA 3.4Å; E745-K783 WeakPolarHBondContact OE1-CA 3.45Å; E745-K783 WeakPolarHBondContact OE1-CB 3.49Å; E745-K783 PolarHBondContact OE1-N 2.85Å; E745-V784 HydrophobicContact CB-CG2 4.16Å; E745-V784 HydrophobicContact CG-CG2 3.92Å
746	P	85.1	Confident	83.1	Confident	37 Å²	37	51.1 Å²	51.1	24%	0.24	29%	0.288	C	S	.	.			trans	-77.5	137.8	-175.8	29.9	-33.8	0	0	0	112.2	G748 F754	P746-G748 PolarHBondContact O-N 3.16Å; P746-F754 HydrophobicContact CG-CD2 4.26Å
747	R	77.9	Confident	82.8	Confident	133 Å²	133	52.6 Å²	52.6	50%	0.502	30%	0.296	S	S	.	.	S	Bend	trans	-67.1	96.9	168.6	-71.4	-176	178.7	-161.7	2.1	110.2	Y717 D721	Y717-R747 VanDerWaalsContact C-NH2 3.31Å; Y717-R747 HydrophobicContact CD1-CG 3.73Å; Y717-R747 HydrophobicContact CE1-CG 4.46Å; Y717-R747 HydrophobicContact CG-CG 3.94Å; Y717-R747 PolarHBondContact O-NH2 2.89Å; D721-R747 VanDerWaalsContact CG-NE 3.27Å; D721-R747 IonicContact OD1-CZ 2.69Å; D721-R747 IonicContact OD1-NE 3.57Å; D721-R747 PolarHBondContact OD1-NE 3.01Å; D721-R747 IonicContact OD1-NH2 3.75Å; D721-R747 PolarHBondContact OD1-NH2 3.18Å; D721-R747 IonicContact OD2-CZ 3.16Å; D721-R747 IonicContact OD2-NE 2.72Å; D721-R747 PolarHBondContact OD2-NE 3.02Å; D721-R747 IonicContact OD2-NH1 2.72Å; D721-R747 IonicContact OD2-NH2 3.74Å; D721-R747 PolarHBondContact OD2-NH2 2.96Å
748	G	62.1	Low	82.5	Confident	42 Å²	42	51.2 Å²	51.2	43%	0.433	29%	0.289	S	S	.	.	S	Bend	trans	78	-126	-176.5	0	0	0	0	0	111.4	P746 K783	P746-G748 PolarHBondContact O-N 3.16Å; G748-K783 PolarHBondContact O-NZ 2.94Å
749	G	56.9	Low	82.4	Confident	50 Å²	50	49.7 Å²	49.7	52%	0.515	28%	0.282	S	S	.	.			trans	76.3	160.7	-171.3	0	0	0	0	0	113.5	D753 K783	G749-D753 WeakPolarHBondContact CA-OD2 3.3Å; G749-K783 PolarHBondContact O-NZ 3.15Å
750	G	57.9	Low	82.3	Confident	36 Å²	36	52.5 Å²	52.5	37%	0.371	30%	0.296	S	S	.	.			trans	-63.9	177.1	175	0	0	0	0	0	113	D753	G750-D753 VanDerWaalsContact N-CG 3.31Å; G750-D753 PolarHBondContact N-OD2 3.12Å
751	K	62.6	Low	82.2	Confident	131 Å²	131	52.4 Å²	52.4	57%	0.57	30%	0.296	S	S	*	.	H	α-helix	trans	-71.2	-39.6	175.3	-166.1	-170.6	171	-162.1	0	111.4	F754 D755	K751-F754 PolarHBondContact O-N 3.05Å; K751-D755 WeakPolarHBondContact CE-OD2 3.49Å; K751-D755 PolarHBondContact O-N 3.15Å; K751-D755 VanDerWaalsContact O-N 3.14Å
752	G	67.7	Low	82.1	Confident	35 Å²	35	53.3 Å²	53.3	36%	0.361	30%	0.297	S	S	.	.	H	α-helix	trans	-58.9	-53.3	178.7	0	0	0	0	0	112	F754 D755 E756	G752-F754 PolarHBondContact O-N 3.45Å; G752-D755 PolarHBondContact O-N 3.35Å; G752-E756 WeakPolarHBondContact O-CB 3.1Å; G752-E756 WeakPolarHBondContact O-CG 3.41Å; G752-E756 PolarHBondContact O-N 2.83Å
753	D	76.8	Confident	81.9	Confident	89 Å²	89	55.3 Å²	55.3	48%	0.476	31%	0.307	S	S	.	.	H	α-helix	trans	-51	-33.6	-178.5	-26.1	-0.5	0	0	0	112.8	G749 G750 L757	G749-D753 WeakPolarHBondContact CA-OD2 3.3Å; G750-D753 VanDerWaalsContact N-CG 3.31Å; G750-D753 PolarHBondContact N-OD2 3.12Å; D753-L757 WeakPolarHBondContact O-CB 3.28Å; D753-L757 PolarHBondContact O-N 3.15Å
754	F	83.7	Confident	81.8	Confident	15 Å²	15	55.7 Å²	55.7	7%	0.066	31%	0.311	C	S	.	.	H	α-helix	trans	-85.3	-39.6	178.9	-176.4	-98.6	0	0	0	113.4	E745 P746 K751 G752 E756 L757 L758 K783 V784 L788	E745-F754 HydrophobicContact CG-CE2 4.47Å; P746-F754 HydrophobicContact CG-CD2 4.26Å; K751-F754 PolarHBondContact O-N 3.05Å; G752-F754 PolarHBondContact O-N 3.45Å; F754-E756 VanDerWaalsContact C-N 3.34Å; F754-L757 PolarHBondContact O-N 3.03Å; F754-L758 WeakPolarHBondContact O-CB 3.47Å; F754-L758 PolarHBondContact O-N 2.93Å; F754-K783 HydrophobicContact CB-CD 4.42Å; F754-K783 HydrophobicContact CD1-CD 4.37Å; F754-K783 HydrophobicContact CD2-CB 4.15Å; F754-K783 HydrophobicContact CD2-CD 3.59Å; F754-K783 HydrophobicContact CE1-CB 4.06Å; F754-K783 HydrophobicContact CE2-CB 3.51Å; F754-K783 HydrophobicContact CE2-CD 3.87Å; F754-K783 HydrophobicContact CE2-CG 4.35Å; F754-K783 HydrophobicContact CG-CD 3.86Å; F754-K783 HydrophobicContact CZ-CB 3.45Å; F754-K783 VanDerWaalsContact CZ-CB 3.45Å; F754-K783 HydrophobicContact CZ-CD 4.36Å; F754-V784 HydrophobicContact CE2-CG2 3.81Å; F754-V784 HydrophobicContact CZ-CG2 3.89Å; F754-L788 HydrophobicContact CE1-CD1 4.13Å; F754-L788 HydrophobicContact CZ-CD1 3.98Å
755	D	83.7	Confident	81.7	Confident	53 Å²	53	54.9 Å²	54.9	28%	0.283	31%	0.306	S	S	.	.	H	α-helix	trans	-69.3	-33.1	176.6	-73.2	-31.7	0	0	0	110.7	K269 K751 G752 Q759	K269-D755 IonicContact NZ-OD1 3.53Å; K269-D755 PolarHBondContact NZ-OD1 2.99Å; K269-D755 IonicContact NZ-OD2 2.99Å; K751-D755 WeakPolarHBondContact CE-OD2 3.49Å; K751-D755 PolarHBondContact O-N 3.15Å; K751-D755 VanDerWaalsContact O-N 3.14Å; G752-D755 PolarHBondContact O-N 3.35Å; D755-Q759 PolarHBondContact O-N 3.4Å; D755-Q759 VanDerWaalsContact O-N 3.08Å
756	E	87.3	Confident	81.6	Confident	143 Å²	143	60.8 Å²	60.8	67%	0.668	33%	0.332	S	S	*	.	H	α-helix	trans	-64.9	-46.8	170.8	-73.4	172.6	-157.2	0	0	112.6	G752 F754 L758 Q759 M760	G752-E756 WeakPolarHBondContact O-CB 3.1Å; G752-E756 WeakPolarHBondContact O-CG 3.41Å; G752-E756 PolarHBondContact O-N 2.83Å; F754-E756 VanDerWaalsContact C-N 3.34Å; E756-L758 VanDerWaalsContact C-N 3.28Å; E756-L758 PolarHBondContact O-N 3.25Å; E756-Q759 WeakPolarHBondContact O-CB 3.5Å; E756-Q759 PolarHBondContact O-N 2.95Å; E756-M760 PolarHBondContact O-N 2.99Å
757	L	89.3	Confident	81.4	Confident	32 Å²	32	62.7 Å²	62.7	17%	0.168	34%	0.343	C	S	.	.	H	α-helix	trans	-61.9	-35.9	176.6	175.4	147.3	0	0	0	112.2	I743 D753 F754 M760 Y761 L776	I743-L757 HydrophobicContact CG2-CD1 3.76Å; I743-L757 HydrophobicContact CG2-CD2 3.61Å; I743-L757 HydrophobicContact CG2-CG 3.52Å; D753-L757 WeakPolarHBondContact O-CB 3.28Å; D753-L757 PolarHBondContact O-N 3.15Å; F754-L757 PolarHBondContact O-N 3.03Å; L757-M760 PolarHBondContact O-N 2.95Å; L757-Y761 PolarHBondContact O-N 3.18Å; L757-Y761 VanDerWaalsContact O-N 3.16Å; L757-L776 HydrophobicContact CD2-CD1 4.43Å
758	L	89.3	Confident	81.2	Confident	12 Å²	12	58.1 Å²	58.1	6%	0.063	33%	0.331	C	S	.	.	H	α-helix	trans	-72.1	-34.5	176.4	-173.2	64.2	0	0	0	112.1	F754 E756 Y761 Y762 L788 F790	F754-L758 WeakPolarHBondContact O-CB 3.47Å; F754-L758 PolarHBondContact O-N 2.93Å; E756-L758 VanDerWaalsContact C-N 3.28Å; E756-L758 PolarHBondContact O-N 3.25Å; L758-Y761 PolarHBondContact O-N 3.46Å; L758-Y762 HydrophobicContact CD1-CE1 4.22Å; L758-Y762 HydrophobicContact CD1-CE2 4.01Å; L758-Y762 HydrophobicContact CD2-CE2 3.93Å; L758-Y762 HydrophobicContact CG-CD2 4.19Å; L758-Y762 HydrophobicContact CG-CE2 3.56Å; L758-Y762 WeakPolarHBondContact O-CD2 3.33Å; L758-Y762 PolarHBondContact O-N 3.49Å; L758-Y762 VanDerWaalsContact O-N 3.12Å; L758-L788 HydrophobicContact CD1-CD1 3.87Å; L758-L788 HydrophobicContact CD2-CD1 3.74Å; L758-L788 HydrophobicContact CD2-CD2 3.68Å; L758-L788 HydrophobicContact CD2-CG 4.36Å; L758-L788 HydrophobicContact CG-CD1 4.45Å; L758-F790 HydrophobicContact CD1-CE1 3.99Å; L758-F790 HydrophobicContact CD1-CZ 4.12Å
759	Q	90.3	Very high	81.3	Confident	97 Å²	97	63.8 Å²	63.8	45%	0.453	35%	0.346	S	S	.	.	H	α-helix	trans	-61.5	-46.1	172.1	-175	64.3	34.6	0	0	111	D755 E756 Y761 Y762 D763	D755-Q759 PolarHBondContact O-N 3.4Å; D755-Q759 VanDerWaalsContact O-N 3.08Å; E756-Q759 WeakPolarHBondContact O-CB 3.5Å; E756-Q759 PolarHBondContact O-N 2.95Å; Q759-Y761 VanDerWaalsContact C-N 3.31Å; Q759-Y761 PolarHBondContact O-N 3.07Å; Q759-Y762 PolarHBondContact O-N 2.94Å; Q759-D763 VanDerWaalsContact NE2-CG 3.28Å; Q759-D763 PolarHBondContact NE2-OD1 3.11Å; Q759-D763 VanDerWaalsContact NE2-OD1 3.12Å; Q759-D763 PolarHBondContact NE2-OD2 3.35Å; Q759-D763 PolarHBondContact O-N 3.16Å
760	M	91.5	Very high	81.8	Confident	115 Å²	115	65.3 Å²	65.3	57%	0.567	36%	0.361	S	S	*	.	H	α-helix	trans	-56.7	-41.5	175	-174.9	-172.2	-66.1	0	0	112.5	I743 E756 L757 A764	I743-M760 HydrophobicContact CD1-CB 4.32Å; I743-M760 HydrophobicContact CD1-CG 4.02Å; I743-M760 HydrophobicContact CD1-SD 4.15Å; E756-M760 PolarHBondContact O-N 2.99Å; L757-M760 PolarHBondContact O-N 2.95Å; M760-A764 WeakPolarHBondContact O-CB 3.49Å; M760-A764 PolarHBondContact O-N 2.71Å; M760-A764 VanDerWaalsContact O-N 3.17Å
761	Y	93.6	Very high	82.9	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-61.4	-48.2	175.5	179.4	-103.7	0	0	0	112.3	G709 L711 I743 L757 L758 Q759 I765 A774 L776 F790 N794	G709-Y761 WeakPolarHBondContact CA-OH 3.45Å; L711-Y761 HydrophobicContact CD2-CE1 4.32Å; L711-Y761 HydrophobicContact CD2-CE2 4.47Å; L711-Y761 VanDerWaalsContact CD2-OH 3.31Å; L711-Y761 WeakPolarHBondContact CD2-OH 3.49Å; I743-Y761 HydrophobicContact CD1-CD2 4.31Å; L757-Y761 PolarHBondContact O-N 3.18Å; L757-Y761 VanDerWaalsContact O-N 3.16Å; L758-Y761 PolarHBondContact O-N 3.46Å; Q759-Y761 VanDerWaalsContact C-N 3.31Å; Q759-Y761 PolarHBondContact O-N 3.07Å; Y761-I765 HydrophobicContact CD1-CD1 4.02Å; Y761-I765 HydrophobicContact CD2-CD1 4.31Å; Y761-I765 HydrophobicContact CE1-CD1 3.5Å; Y761-I765 VanDerWaalsContact CE1-CD1 3.5Å; Y761-I765 HydrophobicContact CE2-CD1 3.83Å; Y761-I765 HydrophobicContact CG-CD1 4.4Å; Y761-I765 WeakPolarHBondContact O-CG1 3.47Å; Y761-I765 PolarHBondContact O-N 3.38Å; Y761-A774 HydrophobicContact CD2-CB 3.54Å; Y761-A774 HydrophobicContact CE2-CB 3.64Å; Y761-L776 HydrophobicContact CD2-CB 3.72Å; Y761-L776 HydrophobicContact CD2-CD2 4.36Å; Y761-L776 HydrophobicContact CE2-CB 3.48Å; Y761-L776 VanDerWaalsContact CE2-CB 3.48Å; Y761-L776 HydrophobicContact CE2-CD2 4.49Å; Y761-L776 HydrophobicContact CG-CD2 4.37Å; Y761-F790 AromaticContact CD1-CE1 3.99Å; Y761-F790 HydrophobicContact CD1-CE1 3.99Å; Y761-F790 AromaticContact CE1-CD1 3.93Å; Y761-F790 HydrophobicContact CE1-CD1 3.93Å; Y761-F790 AromaticContact CE1-CE1 3.67Å; Y761-F790 HydrophobicContact CE1-CE1 3.67Å; Y761-N794 WeakPolarHBondContact CE1-O 3.37Å; Y761-N794 PolarHBondContact OH-O 2.64Å
762	Y	92.9	Very high	84	Confident	48 Å²	48	64.4 Å²	64.4	19%	0.188	35%	0.348	C	S	.	.	H	α-helix	trans	-67.6	-36.7	-179.9	-65.2	-38.3	0	0	0	113.2	L758 Q759 I765 K766 D789 F790 N794	L758-Y762 HydrophobicContact CD1-CE1 4.22Å; L758-Y762 HydrophobicContact CD1-CE2 4.01Å; L758-Y762 HydrophobicContact CD2-CE2 3.93Å; L758-Y762 HydrophobicContact CG-CD2 4.19Å; L758-Y762 HydrophobicContact CG-CE2 3.56Å; L758-Y762 WeakPolarHBondContact O-CD2 3.33Å; L758-Y762 PolarHBondContact O-N 3.49Å; L758-Y762 VanDerWaalsContact O-N 3.12Å; Q759-Y762 PolarHBondContact O-N 2.94Å; Y762-I765 PolarHBondContact O-N 3.04Å; Y762-K766 WeakPolarHBondContact O-CE 3.44Å; Y762-K766 VanDerWaalsContact O-CG 3.29Å; Y762-K766 WeakPolarHBondContact O-CG 3.48Å; Y762-K766 PolarHBondContact O-N 3.28Å; Y762-D789 PolarHBondContact OH-O 2.77Å; Y762-D789 VanDerWaalsContact OH-O 3.11Å; Y762-F790 AromaticContact CE1-CD1 3.96Å; Y762-F790 HydrophobicContact CE1-CD1 3.96Å; Y762-F790 HydrophobicContact CE1-CE1 4.05Å; Y762-N794 HydrophobicContact CD1-CB 4.41Å; Y762-N794 VanDerWaalsContact CD1-OD1 3.26Å; Y762-N794 WeakPolarHBondContact CD1-OD1 3.33Å; Y762-N794 HydrophobicContact CE1-CB 4.26Å
763	D	91.8	Very high	85.2	Confident	58 Å²	58	62.7 Å²	62.7	31%	0.31	33%	0.331	S	S	.	.	H	α-helix	trans	-72.8	-38.5	-177.5	-68	-21.4	0	0	0	111.8	Q759 I765 K766 T767	Q759-D763 VanDerWaalsContact NE2-CG 3.28Å; Q759-D763 PolarHBondContact NE2-OD1 3.11Å; Q759-D763 VanDerWaalsContact NE2-OD1 3.12Å; Q759-D763 PolarHBondContact NE2-OD2 3.35Å; Q759-D763 PolarHBondContact O-N 3.16Å; D763-I765 PolarHBondContact O-N 3.28Å; D763-K766 PolarHBondContact O-N 3.49Å; D763-K766 VanDerWaalsContact O-N 3.08Å; D763-K766 IonicContact OD1-NZ 3.52Å; D763-K766 PolarHBondContact OD1-NZ 2.85Å; D763-T767 PolarHBondContact O-N 2.76Å; D763-T767 PolarHBondContact O-OG1 3.34Å
764	A	92.6	Very high	86.1	Confident	17 Å²	17	58.5 Å²	58.5	14%	0.14	31%	0.308	C	S	.	.	H	α-helix	trans	-58.6	-31.2	172.2	0	0	0	0	0	113.5	T741 M760 C768 A774	T741-A764 HydrophobicContact CG2-CB 4.42Å; M760-A764 WeakPolarHBondContact O-CB 3.49Å; M760-A764 PolarHBondContact O-N 2.71Å; M760-A764 VanDerWaalsContact O-N 3.17Å; A764-C768 PolarHBondContact O-N 3.16Å; A764-A774 HydrophobicContact CB-CB 4.07Å
765	I	92.3	Very high	86.8	Confident	6 Å²	6	57.8 Å²	57.8	3%	0.031	31%	0.305	C	S	.	.	H	α-helix	trans	-79.2	-28.2	177.4	-69.6	170.9	0	0	0	112.6	K708 Y761 Y762 D763 C768 A774 D793	K708-I765 HydrophobicContact CB-CG2 4.36Å; K708-I765 HydrophobicContact CD-CG2 4.48Å; K708-I765 PolarHBondContact NZ-O 3.04Å; K708-I765 VanDerWaalsContact NZ-O 3.16Å; Y761-I765 HydrophobicContact CD1-CD1 4.02Å; Y761-I765 HydrophobicContact CD2-CD1 4.31Å; Y761-I765 HydrophobicContact CE1-CD1 3.5Å; Y761-I765 VanDerWaalsContact CE1-CD1 3.5Å; Y761-I765 HydrophobicContact CE2-CD1 3.83Å; Y761-I765 HydrophobicContact CG-CD1 4.4Å; Y761-I765 WeakPolarHBondContact O-CG1 3.47Å; Y761-I765 PolarHBondContact O-N 3.38Å; Y762-I765 PolarHBondContact O-N 3.04Å; D763-I765 PolarHBondContact O-N 3.28Å; I765-C768 PolarHBondContact O-SG 3.17Å; I765-C768 VanDerWaalsContact O-SG 3.42Å; I765-A774 HydrophobicContact CD1-CB 4.23Å; I765-A774 HydrophobicContact CG1-CB 3.98Å; I765-D793 HydrophobicContact CG2-CB 4.22Å
766	K	89	Confident	87.4	Confident	128 Å²	128	55.3 Å²	55.3	56%	0.557	29%	0.292	S	S	*	.	H	α-helix	trans	-78.7	-49.5	176.8	-67.7	165.1	-152.9	159.2	0	112.3	Y762 D763	Y762-K766 WeakPolarHBondContact O-CE 3.44Å; Y762-K766 VanDerWaalsContact O-CG 3.29Å; Y762-K766 WeakPolarHBondContact O-CG 3.48Å; Y762-K766 PolarHBondContact O-N 3.28Å; D763-K766 PolarHBondContact O-N 3.49Å; D763-K766 VanDerWaalsContact O-N 3.08Å; D763-K766 IonicContact OD1-NZ 3.52Å; D763-K766 PolarHBondContact OD1-NZ 2.85Å
767	T	81.1	Confident	87.9	Confident	77 Å²	77	48.6 Å²	48.6	47%	0.472	26%	0.261	S	S	.	.	H	α-helix	trans	-79.4	-39.7	-171.1	62.2	0	0	0	0	112.4	D763 E769	D763-T767 PolarHBondContact O-N 2.76Å; D763-T767 PolarHBondContact O-OG1 3.34Å; T767-E769 PolarHBondContact O-N 3.2Å
768	C	72.3	Confident	88.2	Confident	37 Å²	37	47.1 Å²	47.1	25%	0.25	25%	0.253	C	S	.	.			trans	49.3	35.6	-176	-68.4	0	0	0	0	114.1	K708 A764 I765 G770 R771	K708-C768 PolarHBondContact NZ-SG 2.85Å; A764-C768 PolarHBondContact O-N 3.16Å; I765-C768 PolarHBondContact O-SG 3.17Å; I765-C768 VanDerWaalsContact O-SG 3.42Å; C768-G770 PolarHBondContact O-N 2.93Å; C768-R771 CarbonylContact C-O 3.56Å; C768-R771 VanDerWaalsContact CA-O 3.23Å; C768-R771 WeakPolarHBondContact CA-O 3.42Å; C768-R771 WeakPolarHBondContact CB-O 3.46Å
769	E	64.1	Low	88.4	Confident	160 Å²	160	46.7 Å²	46.7	75%	0.748	25%	0.251	S	S	*	.	S	Bend	trans	-69.8	94.4	179.3	-75.3	168.3	-157	0	0	110.4	T767 R771	T767-E769 PolarHBondContact O-N 3.2Å; E769-R771 PolarHBondContact O-N 2.73Å
770	G	67.8	Low	88.4	Confident	82 Å²	82	42.4 Å²	42.4	85%	0.845	23%	0.231	S	C	*	.	S	Bend	trans	75.6	-3.4	178.2	0	0	0	0	0	115.9	C768	C768-G770 PolarHBondContact O-N 2.93Å
771	R	80.9	Confident	88.1	Confident	84 Å²	84	42.2 Å²	42.2	32%	0.317	22%	0.224	S	C	.	.	S	Bend	trans	-137.8	142.5	-179	-60.2	172.7	-177.9	-156.9	-14.8	110.3	D737 T741 C768 E769 G773	D737-R771 PolarHBondContact O-NE 3.19Å; D737-R771 PolarHBondContact O-NH1 2.96Å; D737-R771 PolarHBondContact O-NH2 2.99Å; D737-R771 IonicContact OD1-CZ 3.13Å; D737-R771 IonicContact OD1-NH1 2.77Å; D737-R771 PolarHBondContact OD1-NH1 3.31Å; D737-R771 IonicContact OD1-NH2 3.64Å; D737-R771 IonicContact OD2-CZ 2.78Å; D737-R771 VanDerWaalsContact OD2-CZ 3.26Å; D737-R771 IonicContact OD2-NH1 3.55Å; D737-R771 PolarHBondContact OD2-NH1 2.84Å; D737-R771 VanDerWaalsContact OD2-NH1 3.07Å; D737-R771 IonicContact OD2-NH2 2.71Å; D737-R771 PolarHBondContact OD2-NH2 3.49Å; T741-R771 VanDerWaalsContact OG1-CD 3.24Å; T741-R771 WeakPolarHBondContact OG1-CD 3.2Å; T741-R771 PolarHBondContact OG1-NH1 3.24Å; C768-R771 CarbonylContact C-O 3.56Å; C768-R771 VanDerWaalsContact CA-O 3.23Å; C768-R771 WeakPolarHBondContact CA-O 3.42Å; C768-R771 WeakPolarHBondContact CB-O 3.46Å; E769-R771 PolarHBondContact O-N 2.73Å; R771-G773 PolarHBondContact O-N 2.76Å
772	D	87	Confident	87.8	Confident	64 Å²	64	42.3 Å²	42.3	34%	0.342	23%	0.225	S	C	.	.	S	Bend	trans	-85.5	64.3	-179.8	-176	7.7	0	0	0	111.7	A707 K708 E739 K740	A707-D772 WeakPolarHBondContact CA-OD2 3.36Å; A707-D772 WeakPolarHBondContact CB-OD2 3.11Å; K708-D772 PolarHBondContact N-O 3.14Å; K708-D772 PolarHBondContact N-OD1 2.65Å; E739-D772 PolarHBondContact O-N 2.98Å; E739-D772 VanDerWaalsContact O-N 3.13Å; K740-D772 WeakPolarHBondContact CD-O 3.49Å; K740-D772 WeakPolarHBondContact CE-O 3.26Å; K740-D772 WeakPolarHBondContact CG-O 3.48Å; K740-D772 PolarHBondContact NZ-O 3.5Å; K740-D772 IonicContact NZ-OD2 3.07Å
773	G	92.9	Very high	87.3	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	83.5	-142.5	177.5	0	0	0	0	0	114	K740 T741 R771	K740-G773 WeakPolarHBondContact CA-O 3.47Å; T741-G773 PolarHBondContact N-O 3.15Å; R771-G773 PolarHBondContact O-N 2.76Å
774	A	95.9	Very high	87.1	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	148.6	-166.2	0	0	0	0	0	113.5	V710 T741 Y761 A764 I765	V710-A774 PolarHBondContact N-O 2.95Å; T741-A774 CarbonylContact O-C 3.54Å; T741-A774 VanDerWaalsContact O-CA 3.28Å; T741-A774 WeakPolarHBondContact O-CA 3.33Å; T741-A774 WeakPolarHBondContact O-CB 3.48Å; Y761-A774 HydrophobicContact CD2-CB 3.54Å; Y761-A774 HydrophobicContact CE2-CB 3.64Å; A764-A774 HydrophobicContact CB-CB 4.07Å; I765-A774 HydrophobicContact CD1-CB 4.23Å; I765-A774 HydrophobicContact CG1-CB 3.98Å
775	L	96.9	Very high	86.7	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	113.9	172.6	171.6	61.3	0	0	0	109	V710 C712 L736 K740 T741 V742 I743 I777	V710-L775 HydrophobicContact CB-CD1 4.01Å; V710-L775 HydrophobicContact CG1-CD1 3.77Å; V710-L775 WeakPolarHBondContact O-CA 3.18Å; C712-L775 HydrophobicContact CB-CD1 4.04Å; L736-L775 HydrophobicContact CD2-CD2 4.12Å; K740-L775 HydrophobicContact CB-CB 4.43Å; T741-L775 PolarHBondContact O-N 2.97Å; V742-L775 HydrophobicContact CG1-CD2 4.27Å; V742-L775 HydrophobicContact CG1-CG 4.5Å; V742-L775 HydrophobicContact CG2-CD2 4.47Å; I743-L775 PolarHBondContact N-O 3.33Å; L775-I777 HydrophobicContact CD2-CD1 4.45Å; L775-I777 HydrophobicContact CD2-CG1 4.36Å; L775-I777 HydrophobicContact CG-CG1 4.16Å
776	L	96.7	Very high	86	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	108.1	174.6	178.2	56	0	0	0	110.7	V710 L711 C712 I743 L757 Y761 V784 F790	V710-L776 PolarHBondContact O-N 2.99Å; L711-L776 HydrophobicContact CD2-CB 3.88Å; L711-L776 HydrophobicContact CD2-CD2 4.07Å; L711-L776 HydrophobicContact CD2-CG 4.35Å; C712-L776 PolarHBondContact N-O 2.99Å; I743-L776 HydrophobicContact CB-CD1 4.08Å; I743-L776 HydrophobicContact CG2-CD1 3.76Å; I743-L776 WeakPolarHBondContact O-CA 3.47Å; L757-L776 HydrophobicContact CD2-CD1 4.43Å; Y761-L776 HydrophobicContact CD2-CB 3.72Å; Y761-L776 HydrophobicContact CD2-CD2 4.36Å; Y761-L776 HydrophobicContact CE2-CB 3.48Å; Y761-L776 VanDerWaalsContact CE2-CB 3.48Å; Y761-L776 HydrophobicContact CE2-CD2 4.49Å; Y761-L776 HydrophobicContact CG-CD2 4.37Å; L776-V784 HydrophobicContact CD2-CG1 3.64Å; L776-V784 HydrophobicContact CD2-CG2 4.07Å; L776-V784 HydrophobicContact CG-CG1 4.24Å; L776-F790 HydrophobicContact CD2-CE1 4.39Å; L776-F790 HydrophobicContact CD2-CZ 4.13Å
777	I	97.1	Very high	84.8	Confident	3 Å²	3	36.6 Å²	36.6	2%	0.015	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	117.7	174.1	-56.2	162.1	0	0	0	108.3	C712 L714 L720 W727 W733 V742 I743 T744 E745 L775	C712-I777 HydrophobicContact CB-CG1 4.39Å; C712-I777 CarbonylContact O-C 3.5Å; C712-I777 WeakPolarHBondContact O-CA 3.44Å; L714-I777 HydrophobicContact CD1-CG2 3.66Å; L714-I777 HydrophobicContact CG-CG2 4.24Å; L720-I777 HydrophobicContact CD1-CG2 4.04Å; L720-I777 HydrophobicContact CG-CG2 4.02Å; W727-I777 HydrophobicContact CZ3-CD1 3.92Å; W733-I777 HydrophobicContact CH2-CD1 4.29Å; W733-I777 HydrophobicContact CZ3-CD1 3.94Å; V742-I777 HydrophobicContact CG1-CD1 3.73Å; I743-I777 PolarHBondContact O-N 2.95Å; T744-I777 CarbonylContact C-O 3.56Å; T744-I777 WeakPolarHBondContact CA-O 3.46Å; T744-I777 HydrophobicContact CG2-CB 3.91Å; T744-I777 HydrophobicContact CG2-CD1 4.06Å; T744-I777 HydrophobicContact CG2-CG2 4.34Å; E745-I777 PolarHBondContact N-O 3.35Å; L775-I777 HydrophobicContact CD2-CD1 4.45Å; L775-I777 HydrophobicContact CD2-CG1 4.36Å; L775-I777 HydrophobicContact CG-CG1 4.16Å
778	A	95.4	Very high	84.6	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	172.6	-169.3	0	0	0	0	0	111.8	C712 F713 L714 E745 V784	C712-A778 PolarHBondContact O-N 3.36Å; F713-A778 WeakPolarHBondContact CA-O 3.43Å; F713-A778 HydrophobicContact CD1-CB 3.72Å; F713-A778 HydrophobicContact CE1-CB 3.67Å; L714-A778 PolarHBondContact N-O 3.34Å; E745-A778 HydrophobicContact CB-CB 4.41Å; E745-A778 WeakPolarHBondContact OE2-CA 3.24Å; E745-A778 WeakPolarHBondContact OE2-CB 3.46Å; A778-V784 HydrophobicContact CB-CB 3.68Å; A778-V784 HydrophobicContact CB-CG1 3.7Å; A778-V784 HydrophobicContact CB-CG2 4.09Å
779	V	93.7	Very high	84.8	Confident	4 Å²	4	35.1 Å²	35.1	2%	0.024	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	138.9	179.9	177.7	0	0	0	0	111.1	L714 Y717 L720 E745 R781 G782 S785	L714-V779 WeakPolarHBondContact O-CA 3.18Å; Y717-V779 HydrophobicContact CD1-CB 4.3Å; Y717-V779 HydrophobicContact CD1-CG2 3.53Å; Y717-V779 HydrophobicContact CD2-CB 4.42Å; Y717-V779 HydrophobicContact CD2-CG1 4.14Å; Y717-V779 HydrophobicContact CD2-CG2 4.21Å; Y717-V779 HydrophobicContact CE1-CB 4.14Å; Y717-V779 HydrophobicContact CE1-CG2 3.79Å; Y717-V779 HydrophobicContact CE2-CB 4.25Å; Y717-V779 HydrophobicContact CE2-CG1 4.14Å; Y717-V779 HydrophobicContact CE2-CG2 4.42Å; Y717-V779 HydrophobicContact CG-CB 4.44Å; Y717-V779 HydrophobicContact CG-CG1 4.49Å; Y717-V779 HydrophobicContact CG-CG2 3.76Å; L720-V779 HydrophobicContact CB-CG2 4.37Å; L720-V779 HydrophobicContact CD1-CG2 3.83Å; E745-V779 PolarHBondContact OE2-N 3Å; V779-R781 PolarHBondContact O-N 3.38Å; V779-G782 WeakPolarHBondContact O-CA 3.35Å; V779-G782 PolarHBondContact O-N 2.97Å; V779-S785 PolarHBondContact O-OG 3.06Å
780	C	91	Very high	85.9	Confident	7 Å²	7	27.5 Å²	27.5	5%	0.047	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	125.7	169	-67.4	0	0	0	0	109.7	L714 P804 A843	L714-C780 PolarHBondContact O-N 3.45Å; C780-P804 HydrophobicContact CB-CB 3.42Å; C780-P804 VanDerWaalsContact CB-CB 3.42Å; C780-P804 HydrophobicContact CB-CG 3.87Å; C780-A843 HydrophobicContact CB-CB 4.5Å
781	R	85.8	Confident	86.8	Confident	111 Å²	111	26.3 Å²	26.3	42%	0.419	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	9	-167.3	-44.7	163.4	171.2	-117.9	-10.1	114	V779 S785 Q839 A843	V779-R781 PolarHBondContact O-N 3.38Å; R781-S785 WeakPolarHBondContact CA-OG 3.14Å; R781-S785 PolarHBondContact N-OG 3.41Å; R781-Q839 PolarHBondContact NH2-O 3.23Å; R781-A843 HydrophobicContact CG-CB 3.75Å
782	G	85.8	Confident	87.2	Confident	2 Å²	2	25 Å²	25	2%	0.021	13%	0.128	C	C	.	.	S	Bend	trans	-81.1	166.3	167.4	0	0	0	0	0	112.5	E745 V779 V784 S785	E745-G782 VanDerWaalsContact OE1-CA 3.22Å; E745-G782 WeakPolarHBondContact OE1-CA 3.4Å; V779-G782 WeakPolarHBondContact O-CA 3.35Å; V779-G782 PolarHBondContact O-N 2.97Å; G782-V784 PolarHBondContact O-N 3.05Å; G782-V784 VanDerWaalsContact O-N 3.11Å; G782-S785 PolarHBondContact N-OG 2.98Å; G782-S785 VanDerWaalsContact N-OG 3.17Å; G782-S785 PolarHBondContact O-N 3.49Å; G782-S785 PolarHBondContact O-OG 3.36Å
783	K	83.8	Confident	87.5	Confident	69 Å²	69	25 Å²	25	30%	0.3	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-32.8	178.2	-64.1	176.9	172.1	179.1	0	113	E745 G748 G749 F754	E745-K783 WeakPolarHBondContact OE1-CA 3.45Å; E745-K783 WeakPolarHBondContact OE1-CB 3.49Å; E745-K783 PolarHBondContact OE1-N 2.85Å; G748-K783 PolarHBondContact O-NZ 2.94Å; G749-K783 PolarHBondContact O-NZ 3.15Å; F754-K783 HydrophobicContact CB-CD 4.42Å; F754-K783 HydrophobicContact CD1-CD 4.37Å; F754-K783 HydrophobicContact CD2-CB 4.15Å; F754-K783 HydrophobicContact CD2-CD 3.59Å; F754-K783 HydrophobicContact CE1-CB 4.06Å; F754-K783 HydrophobicContact CE2-CB 3.51Å; F754-K783 HydrophobicContact CE2-CD 3.87Å; F754-K783 HydrophobicContact CE2-CG 4.35Å; F754-K783 HydrophobicContact CG-CD 3.86Å; F754-K783 HydrophobicContact CZ-CB 3.45Å; F754-K783 VanDerWaalsContact CZ-CB 3.45Å; F754-K783 HydrophobicContact CZ-CD 4.36Å
784	V	86.9	Confident	87.4	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.006	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-33.9	179.2	176.1	0	0	0	0	112.1	F713 E745 F754 L776 A778 G782 E786 F790	F713-V784 HydrophobicContact CE1-CB 4.44Å; F713-V784 HydrophobicContact CE1-CG1 4.01Å; F713-V784 HydrophobicContact CZ-CG1 4.12Å; E745-V784 HydrophobicContact CB-CG2 4.16Å; E745-V784 HydrophobicContact CG-CG2 3.92Å; F754-V784 HydrophobicContact CE2-CG2 3.81Å; F754-V784 HydrophobicContact CZ-CG2 3.89Å; L776-V784 HydrophobicContact CD2-CG1 3.64Å; L776-V784 HydrophobicContact CD2-CG2 4.07Å; L776-V784 HydrophobicContact CG-CG1 4.24Å; A778-V784 HydrophobicContact CB-CB 3.68Å; A778-V784 HydrophobicContact CB-CG1 3.7Å; A778-V784 HydrophobicContact CB-CG2 4.09Å; G782-V784 PolarHBondContact O-N 3.05Å; G782-V784 VanDerWaalsContact O-N 3.11Å; V784-E786 PolarHBondContact O-N 3.24Å; V784-F790 HydrophobicContact CG1-CE2 4.07Å; V784-F790 HydrophobicContact CG1-CZ 3.95Å
785	S	84.4	Confident	87.3	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.007	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-7	-179.1	73.3	0	0	0	0	113.7	V779 R781 G782 R850	V779-S785 PolarHBondContact O-OG 3.06Å; R781-S785 WeakPolarHBondContact CA-OG 3.14Å; R781-S785 PolarHBondContact N-OG 3.41Å; G782-S785 PolarHBondContact N-OG 2.98Å; G782-S785 VanDerWaalsContact N-OG 3.17Å; G782-S785 PolarHBondContact O-N 3.49Å; G782-S785 PolarHBondContact O-OG 3.36Å; S785-R850 PolarHBondContact O-NE 3.11Å; S785-R850 PolarHBondContact O-NH2 3.1Å
786	E	76.6	Confident	87.3	Confident	47 Å²	47	26.9 Å²	26.9	22%	0.22	14%	0.137	C	C	.	.	S	Bend	trans	-129.4	143.7	-172	-56.7	-167.3	148.3	0	0	111.7	R266 V784 L788	R266-E786 VanDerWaalsContact CZ-CD 3.4Å; R266-E786 IonicContact CZ-OE1 2.74Å; R266-E786 IonicContact CZ-OE2 2.81Å; R266-E786 VanDerWaalsContact CZ-OE2 3.28Å; R266-E786 IonicContact NH1-OE1 3.54Å; R266-E786 PolarHBondContact NH1-OE1 2.94Å; R266-E786 IonicContact NH1-OE2 3.62Å; R266-E786 IonicContact NH2-OE1 2.79Å; R266-E786 PolarHBondContact NH2-OE1 3.25Å; R266-E786 IonicContact NH2-OE2 2.69Å; R266-E786 PolarHBondContact NH2-OE2 3.09Å; V784-E786 PolarHBondContact O-N 3.24Å; E786-L788 PolarHBondContact O-N 2.95Å
787	G	65.5	Low	87.2	Confident	18 Å²	18	26.9 Å²	26.9	19%	0.186	14%	0.137	C	C	.	.	S	Bend	trans	65.9	-20.4	170.2	0	0	0	0	0	118
788	L	76.1	Confident	87.2	Confident	14 Å²	14	26.8 Å²	26.8	7%	0.073	14%	0.137	C	C	.	.			trans	-85.2	136.3	-179.9	-63.5	-170.4	0	0	0	113	F754 L758 E786 F790 R850 R853	F754-L788 HydrophobicContact CE1-CD1 4.13Å; F754-L788 HydrophobicContact CZ-CD1 3.98Å; L758-L788 HydrophobicContact CD1-CD1 3.87Å; L758-L788 HydrophobicContact CD2-CD1 3.74Å; L758-L788 HydrophobicContact CD2-CD2 3.68Å; L758-L788 HydrophobicContact CD2-CG 4.36Å; L758-L788 HydrophobicContact CG-CD1 4.45Å; E786-L788 PolarHBondContact O-N 2.95Å; L788-F790 HydrophobicContact CB-CD2 4.19Å; L788-F790 HydrophobicContact CB-CE2 3.64Å; L788-F790 HydrophobicContact CB-CZ 4.16Å; L788-F790 HydrophobicContact CD1-CE2 3.98Å; L788-F790 HydrophobicContact CD1-CZ 3.73Å; L788-F790 HydrophobicContact CG-CE2 4.49Å; L788-R850 PolarHBondContact O-NH1 2.99Å; L788-R853 PolarHBondContact O-NH2 2.73Å
789	D	76.5	Confident	87.4	Confident	69 Å²	69	26.8 Å²	26.8	37%	0.369	14%	0.137	S	C	.	.			trans	-94.9	139.1	166.8	-146.6	-8.3	0	0	0	110.1	Y762 R853	Y762-D789 PolarHBondContact OH-O 2.77Å; Y762-D789 VanDerWaalsContact OH-O 3.11Å; D789-R853 WeakPolarHBondContact OD1-CD 3.27Å; D789-R853 WeakPolarHBondContact OD1-CG 3.22Å; D789-R853 IonicContact OD1-CZ 2.93Å; D789-R853 IonicContact OD1-NE 2.8Å; D789-R853 PolarHBondContact OD1-NE 3.07Å; D789-R853 VanDerWaalsContact OD1-NE 3.13Å; D789-R853 IonicContact OD1-NH1 3.17Å; D789-R853 PolarHBondContact OD1-NH1 3Å; D789-R853 IonicContact OD1-NH2 2.88Å
790	F	87	Confident	87.5	Confident	1 Å²	1	26.7 Å²	26.7	0%	0.004	14%	0.136	C	C	.	.			trans	-138.5	89	-177.7	-70.9	-79.4	0	0	0	105.4	L711 L758 Y761 Y762 L776 V784 L788 N794 A795 R850 R853	L711-F790 HydrophobicContact CD1-CD2 4.02Å; L711-F790 HydrophobicContact CD1-CE2 4.26Å; L711-F790 HydrophobicContact CD1-CG 4.21Å; L711-F790 HydrophobicContact CD2-CE1 4.26Å; L711-F790 HydrophobicContact CD2-CZ 4.4Å; L758-F790 HydrophobicContact CD1-CE1 3.99Å; L758-F790 HydrophobicContact CD1-CZ 4.12Å; Y761-F790 AromaticContact CD1-CE1 3.99Å; Y761-F790 HydrophobicContact CD1-CE1 3.99Å; Y761-F790 AromaticContact CE1-CD1 3.93Å; Y761-F790 HydrophobicContact CE1-CD1 3.93Å; Y761-F790 AromaticContact CE1-CE1 3.67Å; Y761-F790 HydrophobicContact CE1-CE1 3.67Å; Y762-F790 AromaticContact CE1-CD1 3.96Å; Y762-F790 HydrophobicContact CE1-CD1 3.96Å; Y762-F790 HydrophobicContact CE1-CE1 4.05Å; L776-F790 HydrophobicContact CD2-CE1 4.39Å; L776-F790 HydrophobicContact CD2-CZ 4.13Å; V784-F790 HydrophobicContact CG1-CE2 4.07Å; V784-F790 HydrophobicContact CG1-CZ 3.95Å; L788-F790 HydrophobicContact CB-CD2 4.19Å; L788-F790 HydrophobicContact CB-CE2 3.64Å; L788-F790 HydrophobicContact CB-CZ 4.16Å; L788-F790 HydrophobicContact CD1-CE2 3.98Å; L788-F790 HydrophobicContact CD1-CZ 3.73Å; L788-F790 HydrophobicContact CG-CE2 4.49Å; F790-N794 HydrophobicContact CB-CB 4.39Å; F790-N794 HydrophobicContact CD1-CB 4.29Å; F790-A795 HydrophobicContact CB-CB 3.76Å; F790-R850 HydrophobicContact CD2-CB 4.36Å; F790-R853 VanDerWaalsContact N-CZ 3.34Å; F790-R853 WeakPolarHBondContact O-CG 3.39Å; F790-R853 PolarHBondContact O-NE 3.06Å; F790-R853 VanDerWaalsContact O-NE 3.09Å
791	T	86.3	Confident	87.8	Confident	56 Å²	56	26.5 Å²	26.5	34%	0.344	13%	0.134	S	C	.	.			trans	-90.1	144.8	-176.4	57.5	0	0	0	0	110.6	D793 N794 R853	T791-D793 PolarHBondContact O-N 3.38Å; T791-N794 WeakPolarHBondContact O-CB 3.2Å; T791-N794 PolarHBondContact O-N 2.83Å; T791-N794 PolarHBondContact O-ND2 2.62Å; T791-R853 HydrophobicContact CG2-CB 3.9Å; T791-R853 HydrophobicContact CG2-CG 3.95Å
792	D	89.7	Confident	88.2	Confident	58 Å²	58	21.2 Å²	21.2	31%	0.31	12%	0.115	S	C	.	.	G	3₁₀ helix	trans	54.1	-126.8	168.9	-62.9	-71.8	0	0	0	113.1	N794 A795 R796 H854	D792-N794 PolarHBondContact O-N 2.8Å; D792-A795 PolarHBondContact O-N 3.38Å; D792-A795 VanDerWaalsContact O-N 3.16Å; D792-R796 VanDerWaalsContact CB-NH2 3.33Å; D792-R796 IonicContact OD1-NH2 2.66Å; D792-H854 IonicContact OD1-CE1 3.39Å; D792-H854 PolarHBondContact OD1-CE1 3.42Å; D792-H854 IonicContact OD1-NE2 2.88Å; D792-H854 IonicContact OD2-CE1 2.66Å; D792-H854 IonicContact OD2-NE2 3.88Å
793	D	92.6	Very high	88.5	Confident	63 Å²	63	21.4 Å²	21.4	34%	0.337	12%	0.115	S	C	.	.	G	3₁₀ helix	trans	-63.2	-10.8	-173.4	-72.2	7.4	0	0	0	113.7	K708 G709 I765 T791 A795 R796	K708-D793 HydrophobicContact CB-CB 3.96Å; K708-D793 WeakPolarHBondContact CB-O 3.29Å; K708-D793 HydrophobicContact CG-CB 3.92Å; G709-D793 WeakPolarHBondContact CA-O 3.46Å; G709-D793 PolarHBondContact N-O 3.17Å; I765-D793 HydrophobicContact CG2-CB 4.22Å; T791-D793 PolarHBondContact O-N 3.38Å; D793-A795 VanDerWaalsContact C-N 3.29Å; D793-A795 PolarHBondContact O-N 2.76Å; D793-R796 IonicContact OD1-CZ 3.89Å; D793-R796 VanDerWaalsContact OD1-CZ 3.26Å; D793-R796 IonicContact OD1-NE 3.84Å; D793-R796 PolarHBondContact OD1-NE 3.16Å; D793-R796 IonicContact OD1-NH2 3.8Å; D793-R796 PolarHBondContact OD1-NH2 3.15Å
794	N	92.4	Very high	89	Confident	29 Å²	29	18.4 Å²	18.4	16%	0.155	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-75.2	-12	176.9	-58	-73.6	0	0	0	114	Y761 Y762 F790 T791 D792	Y761-N794 WeakPolarHBondContact CE1-O 3.37Å; Y761-N794 PolarHBondContact OH-O 2.64Å; Y762-N794 HydrophobicContact CD1-CB 4.41Å; Y762-N794 VanDerWaalsContact CD1-OD1 3.26Å; Y762-N794 WeakPolarHBondContact CD1-OD1 3.33Å; Y762-N794 HydrophobicContact CE1-CB 4.26Å; F790-N794 HydrophobicContact CB-CB 4.39Å; F790-N794 HydrophobicContact CD1-CB 4.29Å; T791-N794 WeakPolarHBondContact O-CB 3.2Å; T791-N794 PolarHBondContact O-N 2.83Å; T791-N794 PolarHBondContact O-ND2 2.62Å; D792-N794 PolarHBondContact O-N 2.8Å
795	A	93.8	Very high	89.2	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-156.2	57.5	176.7	0	0	0	0	0	113.8	G709 L711 F790 D792 D793 A797 C851	G709-A795 CarbonylContact O-C 3.53Å; L711-A795 HydrophobicContact CD1-CB 3.81Å; L711-A795 HydrophobicContact CG-CB 4.15Å; F790-A795 HydrophobicContact CB-CB 3.76Å; D792-A795 PolarHBondContact O-N 3.38Å; D792-A795 VanDerWaalsContact O-N 3.16Å; D793-A795 VanDerWaalsContact C-N 3.29Å; D793-A795 PolarHBondContact O-N 2.76Å; A795-A797 VanDerWaalsContact C-N 3.26Å; A795-A797 PolarHBondContact O-N 2.81Å; A795-C851 PolarHBondContact O-SG 2.99Å
796	R	95.3	Very high	89.6	Confident	12 Å²	12	21.7 Å²	21.7	5%	0.045	12%	0.119	C	C	.	.	S	Bend	trans	-67.9	-23	178.6	-68.5	-68.4	173.4	-137.8	-2	113.8	M706 K708 G709 D792 D793 D857 W858 G859 A860	M706-R796 HydrophobicContact CE-CB 4.16Å; M706-R796 WeakPolarHBondContact CE-O 3.08Å; K708-R796 HydrophobicContact CB-CG 4.45Å; G709-R796 PolarHBondContact O-N 3.43Å; D792-R796 VanDerWaalsContact CB-NH2 3.33Å; D792-R796 IonicContact OD1-NH2 2.66Å; D793-R796 IonicContact OD1-CZ 3.89Å; D793-R796 VanDerWaalsContact OD1-CZ 3.26Å; D793-R796 IonicContact OD1-NE 3.84Å; D793-R796 PolarHBondContact OD1-NE 3.16Å; D793-R796 IonicContact OD1-NH2 3.8Å; D793-R796 PolarHBondContact OD1-NH2 3.15Å; R796-D857 IonicContact CZ-OD1 3.7Å; R796-D857 IonicContact NH1-OD1 3.39Å; R796-D857 PolarHBondContact NH1-OD1 3.28Å; R796-W858 PolarHBondContact NH1-O 2.93Å; R796-G859 CarbonylContact O-C 3.54Å; R796-G859 WeakPolarHBondContact O-CA 3.37Å; R796-A860 PolarHBondContact O-N 2.88Å
797	A	96.4	Very high	90.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	143.3	166.5	0	0	0	0	0	112.8	M706 G709 V710 L711 A795 A860 I862	M706-A797 HydrophobicContact CB-CB 4.18Å; M706-A797 HydrophobicContact CE-CB 4.15Å; M706-A797 HydrophobicContact CG-CB 3.78Å; M706-A797 HydrophobicContact SD-CB 4.46Å; G709-A797 PolarHBondContact O-N 3.4Å; V710-A797 HydrophobicContact CG1-CB 4.31Å; V710-A797 HydrophobicContact CG2-CB 4.39Å; L711-A797 PolarHBondContact N-O 3.25Å; A795-A797 VanDerWaalsContact C-N 3.26Å; A795-A797 PolarHBondContact O-N 2.81Å; A797-A860 CarbonylContact C-O 3.47Å; A797-A860 WeakPolarHBondContact CA-O 3.42Å; A797-A860 HydrophobicContact CB-CB 4.4Å; A797-I862 HydrophobicContact CB-CD1 4.43Å
798	V	97.1	Very high	91.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	111.8	167.6	177.3	0	0	0	0	108.9	L711 F713 T800 L848 C851 A860 L861 I862	L711-V798 HydrophobicContact CB-CG2 4.24Å; L711-V798 HydrophobicContact CD1-CG2 4.21Å; L711-V798 WeakPolarHBondContact O-CA 3.23Å; F713-V798 HydrophobicContact CD2-CG1 3.8Å; F713-V798 HydrophobicContact CE2-CG1 3.96Å; V798-T800 HydrophobicContact CG1-CG2 4.18Å; V798-L848 HydrophobicContact CG1-CD2 4.36Å; V798-C851 HydrophobicContact CB-CB 4.36Å; V798-C851 HydrophobicContact CG2-CB 3.58Å; V798-A860 PolarHBondContact N-O 3.21Å; V798-L861 HydrophobicContact CB-CD2 3.93Å; V798-L861 HydrophobicContact CG2-CD2 4.46Å; V798-I862 PolarHBondContact O-N 2.96Å
799	V	98	Very high	91.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.7	171.7	-169.5	0	0	0	0	108.6	L698 L699 V702 V710 L711 C712 F713 I801 I862 V864	L698-V799 HydrophobicContact CD2-CG1 4.34Å; L699-V799 HydrophobicContact CD2-CB 4.12Å; L699-V799 HydrophobicContact CD2-CG1 3.95Å; L699-V799 HydrophobicContact CD2-CG2 4.01Å; V702-V799 HydrophobicContact CG1-CG2 3.93Å; V710-V799 HydrophobicContact CG1-CG2 4.26Å; L711-V799 PolarHBondContact O-N 3.46Å; C712-V799 CarbonylContact C-O 3.58Å; C712-V799 WeakPolarHBondContact CA-O 3.39Å; F713-V799 PolarHBondContact N-O 2.92Å; V799-I801 HydrophobicContact CG1-CD1 3.74Å; V799-I862 WeakPolarHBondContact CA-O 3.39Å; V799-I862 HydrophobicContact CG1-CB 4.35Å; V799-I862 HydrophobicContact CG1-CG2 4.21Å; V799-I862 HydrophobicContact CG2-CB 4.24Å; V799-I862 HydrophobicContact CG2-CD1 3.94Å; V799-V864 HydrophobicContact CG1-CG2 3.81Å
800	T	97.4	Very high	92.4	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	114.9	172.9	65.7	0	0	0	0	109.6	F713 V798 G802 L844 L848 I862 L863 V864	F713-T800 HydrophobicContact CB-CG2 4.48Å; V798-T800 HydrophobicContact CG1-CG2 4.18Å; T800-G802 PolarHBondContact O-N 3.41Å; T800-L844 HydrophobicContact CG2-CD1 3.8Å; T800-L848 HydrophobicContact CG2-CD2 3.7Å; T800-L848 HydrophobicContact CG2-CG 4.37Å; T800-I862 PolarHBondContact N-O 3.12Å; T800-L863 WeakPolarHBondContact OG1-CD2 3.3Å; T800-V864 PolarHBondContact O-N 2.73Å
801	I	96.5	Very high	92.6	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.015	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	111.4	177.3	-48.8	-55.7	0	0	0	108.6	A681 F691 V695 F713 L714 P715 M719 V799 V864	A681-I801 HydrophobicContact CB-CG2 4.37Å; F691-I801 HydrophobicContact CZ-CG2 4.09Å; V695-I801 HydrophobicContact CG1-CD1 3.77Å; V695-I801 HydrophobicContact CG1-CG1 3.94Å; V695-I801 HydrophobicContact CG1-CG2 4.21Å; V695-I801 HydrophobicContact CG2-CG2 4.26Å; F713-I801 PolarHBondContact O-N 2.99Å; L714-I801 HydrophobicContact CD2-CB 3.67Å; L714-I801 HydrophobicContact CD2-CG1 3.53Å; L714-I801 HydrophobicContact CD2-CG2 4.44Å; P715-I801 VanDerWaalsContact CD-O 3.26Å; P715-I801 WeakPolarHBondContact CD-O 3.47Å; P715-I801 VanDerWaalsContact CG-O 3.26Å; P715-I801 WeakPolarHBondContact CG-O 3.32Å; M719-I801 HydrophobicContact CE-CG2 3.76Å; V799-I801 HydrophobicContact CG1-CD1 3.74Å; I801-V864 HydrophobicContact CD1-CB 3.76Å; I801-V864 HydrophobicContact CD1-CG1 4.05Å; I801-V864 HydrophobicContact CD1-CG2 3.8Å
802	G	94.1	Very high	93	Very high	1 Å²	1	35 Å²	35	1%	0.01	18%	0.176	C	C	.	.	S	Bend	trans	75.1	-160.1	179.7	0	0	0	0	0	115.9	T800 V864 D865	T800-G802 PolarHBondContact O-N 3.41Å; G802-V864 PolarHBondContact N-O 2.74Å; G802-D865 WeakPolarHBondContact CA-OD2 3.1Å
803	I	93.1	Very high	93.2	Very high	6 Å²	6	33 Å²	33	3%	0.031	17%	0.165	C	C	.	.			trans	-126.1	119.6	-176.4	-51	-176	0	0	0	107.7	F805 A840 R867 Y868 Y875	I803-F805 VanDerWaalsContact C-N 3.27Å; I803-F805 HydrophobicContact CB-CD2 3.97Å; I803-F805 HydrophobicContact CB-CE2 3.74Å; I803-F805 HydrophobicContact CD1-CE2 4.5Å; I803-F805 HydrophobicContact CG2-CD2 3.82Å; I803-F805 HydrophobicContact CG2-CE2 3.47Å; I803-F805 VanDerWaalsContact CG2-CE2 3.47Å; I803-F805 HydrophobicContact CG2-CZ 4.12Å; I803-F805 WeakPolarHBondContact O-CD2 3.44Å; I803-F805 PolarHBondContact O-N 3.43Å; I803-A840 HydrophobicContact CG2-CB 4.02Å; I803-R867 HydrophobicContact CD1-CB 4.5Å; I803-Y868 HydrophobicContact CD1-CE1 4.38Å; I803-Y868 HydrophobicContact CG1-CE2 4.36Å; I803-Y875 HydrophobicContact CD1-CD1 3.35Å; I803-Y875 HydrophobicContact CD1-CE1 3.71Å; I803-Y875 HydrophobicContact CD1-CG 4.1Å
804	P	93.6	Very high	93.3	Very high	5 Å²	5	32 Å²	32	3%	0.032	16%	0.159	C	C	.	.			trans	-81.5	66.6	-168.5	34	-37.7	0	0	0	112.6	C780 A840 A843 L844	C780-P804 HydrophobicContact CB-CB 3.42Å; C780-P804 VanDerWaalsContact CB-CB 3.42Å; C780-P804 HydrophobicContact CB-CG 3.87Å; P804-A840 WeakPolarHBondContact O-CA 3.37Å; P804-A843 HydrophobicContact CB-CB 4.44Å; P804-A843 HydrophobicContact CG-CB 3.92Å; P804-L844 HydrophobicContact CG-CB 4.14Å
805	F	92.1	Very high	93.5	Very high	52 Å²	52	31.4 Å²	31.4	23%	0.228	16%	0.156	C	C	.	.			trans	-62.8	141	174	-77.2	-82.1	0	0	0	112	I803 Y836 E837 A840	I803-F805 VanDerWaalsContact C-N 3.27Å; I803-F805 HydrophobicContact CB-CD2 3.97Å; I803-F805 HydrophobicContact CB-CE2 3.74Å; I803-F805 HydrophobicContact CD1-CE2 4.5Å; I803-F805 HydrophobicContact CG2-CD2 3.82Å; I803-F805 HydrophobicContact CG2-CE2 3.47Å; I803-F805 VanDerWaalsContact CG2-CE2 3.47Å; I803-F805 HydrophobicContact CG2-CZ 4.12Å; I803-F805 WeakPolarHBondContact O-CD2 3.44Å; I803-F805 PolarHBondContact O-N 3.43Å; F805-Y836 AromaticContact CD1-CD1 3.9Å; F805-Y836 HydrophobicContact CD1-CD1 3.9Å; F805-Y836 AromaticContact CD1-CE1 3.35Å; F805-Y836 HydrophobicContact CD1-CE1 3.35Å; F805-Y836 AromaticContact CD1-CZ 3.76Å; F805-Y836 HydrophobicContact CE1-CD1 4.13Å; F805-Y836 AromaticContact CE1-CE1 3.84Å; F805-Y836 HydrophobicContact CE1-CE1 3.84Å; F805-Y836 HydrophobicContact CG-CE1 4.25Å; F805-E837 HydrophobicContact CE1-CG 3.99Å; F805-E837 HydrophobicContact CZ-CG 4.5Å; F805-A840 HydrophobicContact CB-CB 4.42Å; F805-A840 HydrophobicContact CD1-CB 3.68Å; F805-A840 HydrophobicContact CD2-CB 4.34Å; F805-A840 HydrophobicContact CE1-CB 3.97Å; F805-A840 HydrophobicContact CG-CB 3.9Å; F805-A840 HydrophobicContact CZ-CB 4.39Å
806	P	90.8	Very high	93.6	Very high	19 Å²	19	31.5 Å²	31.5	12%	0.123	16%	0.156	C	C	.	.			trans	-57	158.5	166.4	-20.7	32.1	0	0	0	111.7	I808 V813 Y836 Q839	P806-I808 PolarHBondContact O-N 2.98Å; P806-I808 VanDerWaalsContact O-N 3.14Å; P806-V813 HydrophobicContact CB-CG1 4.38Å; P806-V813 HydrophobicContact CB-CG2 4.08Å; P806-Y836 HydrophobicContact CB-CD2 4.31Å; P806-Y836 HydrophobicContact CB-CE2 4Å; P806-Y836 HydrophobicContact CG-CD2 4.16Å; P806-Y836 HydrophobicContact CG-CE2 4.18Å; P806-Y836 WeakPolarHBondContact O-CE2 3.33Å; P806-Y836 PolarHBondContact O-OH 2.9Å; P806-Y836 VanDerWaalsContact O-OH 3.09Å; P806-Q839 HydrophobicContact CG-CB 3.74Å
807	N	89.3	Confident	93.6	Very high	100 Å²	100	32.4 Å²	32.4	54%	0.535	16%	0.161	S	C	.	.			trans	-68.6	112.3	174.3	178.2	16.4	0	0	0	110.4	K809 D810	N807-K809 PolarHBondContact O-N 2.82Å; N807-K809 PolarHBondContact OD1-N 3.38Å; N807-D810 HydrophobicContact CB-CB 4.26Å; N807-D810 WeakPolarHBondContact O-CB 3.33Å; N807-D810 PolarHBondContact O-N 2.8Å
808	I	88.3	Confident	93.5	Very high	100 Å²	100	37.4 Å²	37.4	51%	0.513	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-19.7	178.5	-161.3	167	0	0	0	113.7	P806 D810 Y836	P806-I808 PolarHBondContact O-N 2.98Å; P806-I808 VanDerWaalsContact O-N 3.14Å; I808-D810 VanDerWaalsContact C-N 3.3Å; I808-Y836 HydrophobicContact CB-CE2 4.32Å
809	K	87.3	Confident	93.5	Very high	129 Å²	129	37.5 Å²	37.5	56%	0.561	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-6.3	172.7	-64.5	-168.9	178.3	-172	0	113.3	N807 L811 T1054	N807-K809 PolarHBondContact O-N 2.82Å; N807-K809 PolarHBondContact OD1-N 3.38Å; K809-L811 PolarHBondContact O-N 2.96Å; K809-T1054 PolarHBondContact NZ-OG1 3.31Å
810	D	89.6	Confident	93.3	Very high	69 Å²	69	37.5 Å²	37.5	37%	0.369	18%	0.183	S	C	.	.			trans	-69	126	175.1	-173.2	-45.1	0	0	0	110	N807 I808 Q812 V813 E814	N807-D810 HydrophobicContact CB-CB 4.26Å; N807-D810 WeakPolarHBondContact O-CB 3.33Å; N807-D810 PolarHBondContact O-N 2.8Å; I808-D810 VanDerWaalsContact C-N 3.3Å; D810-Q812 VanDerWaalsContact C-N 3.3Å; D810-Q812 PolarHBondContact O-N 3.49Å; D810-Q812 WeakPolarHBondContact OD1-CB 3.4Å; D810-Q812 PolarHBondContact OD1-N 2.84Å; D810-V813 HydrophobicContact CB-CB 4.03Å; D810-V813 HydrophobicContact CB-CG2 3.76Å; D810-V813 PolarHBondContact O-N 3.27Å; D810-V813 VanDerWaalsContact O-N 3.15Å; D810-E814 PolarHBondContact O-N 3.48Å
811	L	91.6	Very high	93.3	Very high	16 Å²	16	41 Å²	41	8%	0.084	20%	0.202	C	C	.	.	H	α-helix	trans	-62	-34.9	-177	179.4	58.3	0	0	0	112.4	C480 V482 W611 K809 L815	C480-L811 HydrophobicContact CB-CD2 4.24Å; V482-L811 HydrophobicContact CG2-CD1 4.29Å; V482-L811 HydrophobicContact CG2-CD2 4.03Å; W611-L811 HydrophobicContact CH2-CD2 3.86Å; W611-L811 HydrophobicContact CH2-CG 4.23Å; W611-L811 HydrophobicContact CZ3-CD2 3.79Å; W611-L811 HydrophobicContact CZ3-CG 3.89Å; K809-L811 PolarHBondContact O-N 2.96Å; L811-L815 HydrophobicContact CD1-CD1 3.86Å; L811-L815 HydrophobicContact CD1-CG 3.95Å; L811-L815 HydrophobicContact CG-CD1 3.88Å; L811-L815 HydrophobicContact CG-CG 4.4Å; L811-L815 VanDerWaalsContact O-CB 3.3Å; L811-L815 WeakPolarHBondContact O-CB 3.35Å; L811-L815 WeakPolarHBondContact O-CD1 3.16Å; L811-L815 WeakPolarHBondContact O-CG 3.29Å; L811-L815 PolarHBondContact O-N 2.82Å
812	Q	93.7	Very high	93.2	Very high	70 Å²	70	46.4 Å²	46.4	33%	0.327	23%	0.227	S	C	.	.	H	α-helix	trans	-70.4	-37.5	175.8	-68.2	-168.3	45.9	0	0	111.7	W611 D810 K816	W611-Q812 HydrophobicContact CD2-CG 3.8Å; W611-Q812 HydrophobicContact CE3-CG 4Å; W611-Q812 HydrophobicContact CG-CG 4.32Å; W611-Q812 HydrophobicContact CH2-CG 4.23Å; W611-Q812 HydrophobicContact CZ2-CG 4.04Å; W611-Q812 HydrophobicContact CZ3-CG 4.21Å; D810-Q812 VanDerWaalsContact C-N 3.3Å; D810-Q812 PolarHBondContact O-N 3.49Å; D810-Q812 WeakPolarHBondContact OD1-CB 3.4Å; D810-Q812 PolarHBondContact OD1-N 2.84Å; Q812-K816 WeakPolarHBondContact O-CB 3.35Å; Q812-K816 PolarHBondContact O-N 3.06Å
813	V	94.4	Very high	93.1	Very high	16 Å²	16	47.4 Å²	47.4	10%	0.097	23%	0.232	C	C	.	.	H	α-helix	trans	-64.3	-47.5	175.8	177.1	0	0	0	0	110.1	P806 D810 K816 M817 W835 Y836	P806-V813 HydrophobicContact CB-CG1 4.38Å; P806-V813 HydrophobicContact CB-CG2 4.08Å; D810-V813 HydrophobicContact CB-CB 4.03Å; D810-V813 HydrophobicContact CB-CG2 3.76Å; D810-V813 PolarHBondContact O-N 3.27Å; D810-V813 VanDerWaalsContact O-N 3.15Å; V813-K816 PolarHBondContact O-N 2.75Å; V813-M817 HydrophobicContact CG1-SD 4.06Å; V813-M817 WeakPolarHBondContact O-CB 3.39Å; V813-M817 VanDerWaalsContact O-CG 3.27Å; V813-M817 WeakPolarHBondContact O-CG 3.46Å; V813-M817 PolarHBondContact O-N 3.21Å; V813-W835 HydrophobicContact CG1-CZ3 4.28Å; V813-Y836 HydrophobicContact CG1-CD2 3.81Å; V813-Y836 HydrophobicContact CG1-CE2 4.04Å
814	E	94.5	Very high	93	Very high	42 Å²	42	48.4 Å²	48.4	20%	0.196	24%	0.239	C	C	.	.	H	α-helix	trans	-60.3	-46.8	176.7	-172.2	-162.3	125.7	0	0	112.1	R474 D810 M817 K818	R474-E814 IonicContact CZ-OE1 2.99Å; R474-E814 IonicContact CZ-OE2 2.68Å; R474-E814 IonicContact NH1-OE2 3.25Å; R474-E814 PolarHBondContact NH1-OE2 2.9Å; R474-E814 VanDerWaalsContact NH2-CD 3.26Å; R474-E814 IonicContact NH2-OE1 3.68Å; R474-E814 PolarHBondContact NH2-OE1 2.88Å; R474-E814 IonicContact NH2-OE2 3.18Å; R474-E814 PolarHBondContact NH2-OE2 3.12Å; D810-E814 PolarHBondContact O-N 3.48Å; E814-M817 PolarHBondContact O-N 3.05Å; E814-K818 HydrophobicContact CG-CD 4.25Å; E814-K818 WeakPolarHBondContact O-CB 3.37Å; E814-K818 WeakPolarHBondContact O-CG 3.42Å; E814-K818 PolarHBondContact O-N 3.21Å; E814-K818 WeakPolarHBondContact OE1-CE 3.18Å; E814-K818 IonicContact OE1-NZ 3.57Å; E814-K818 PolarHBondContact OE1-NZ 3.07Å
815	L	95.8	Very high	92.8	Very high	17 Å²	17	57.8 Å²	57.8	9%	0.089	28%	0.279	C	S	.	.	H	α-helix	trans	-66.1	-40.8	179.8	-71.5	171.6	0	0	0	111.9	V482 R564 W611 L613 L811 K818 Y819	V482-L815 HydrophobicContact CG1-CD1 4.06Å; V482-L815 HydrophobicContact CG1-CD2 4.14Å; V482-L815 HydrophobicContact CG2-CD1 4.4Å; R564-L815 HydrophobicContact CB-CD1 4.1Å; R564-L815 HydrophobicContact CG-CD1 4.45Å; R564-L815 HydrophobicContact CG-CD2 4.32Å; W611-L815 HydrophobicContact CE3-CD1 3.9Å; W611-L815 HydrophobicContact CZ3-CD1 3.86Å; L613-L815 HydrophobicContact CD1-CB 4.17Å; L811-L815 HydrophobicContact CD1-CD1 3.86Å; L811-L815 HydrophobicContact CD1-CG 3.95Å; L811-L815 HydrophobicContact CG-CD1 3.88Å; L811-L815 HydrophobicContact CG-CG 4.4Å; L811-L815 VanDerWaalsContact O-CB 3.3Å; L811-L815 WeakPolarHBondContact O-CB 3.35Å; L811-L815 WeakPolarHBondContact O-CD1 3.16Å; L811-L815 WeakPolarHBondContact O-CG 3.29Å; L811-L815 PolarHBondContact O-N 2.82Å; L815-K818 PolarHBondContact O-N 3.29Å; L815-Y819 WeakPolarHBondContact O-CB 3.36Å; L815-Y819 PolarHBondContact O-N 2.91Å
816	K	95.9	Very high	92.7	Very high	3 Å²	3	59.4 Å²	59.4	1%	0.013	30%	0.297	C	S	.	.	H	α-helix	trans	-65.6	-41.6	175.4	178.8	53.9	175.8	165.9	0	111.7	L613 E645 Q812 V813 Y819 N820 W835	L613-K816 HydrophobicContact CB-CD 4.34Å; L613-K816 HydrophobicContact CD2-CB 4.41Å; L613-K816 VanDerWaalsContact O-CD 3.31Å; L613-K816 WeakPolarHBondContact O-CD 3.47Å; L613-K816 WeakPolarHBondContact O-CE 3.35Å; L613-K816 PolarHBondContact O-NZ 2.96Å; E645-K816 IonicContact OE1-NZ 3.09Å; E645-K816 IonicContact OE2-NZ 2.78Å; E645-K816 PolarHBondContact OE2-NZ 3.41Å; Q812-K816 WeakPolarHBondContact O-CB 3.35Å; Q812-K816 PolarHBondContact O-N 3.06Å; V813-K816 PolarHBondContact O-N 2.75Å; K816-Y819 HydrophobicContact CD-CD1 4.35Å; K816-Y819 PolarHBondContact O-N 3.39Å; K816-N820 WeakPolarHBondContact CD-OD1 3.45Å; K816-N820 WeakPolarHBondContact CE-OD1 3.3Å; K816-N820 PolarHBondContact NZ-OD1 3.01Å; K816-N820 WeakPolarHBondContact O-CB 3.46Å; K816-N820 PolarHBondContact O-N 3.39Å; K816-N820 PolarHBondContact O-OD1 3.4Å; K816-W835 HydrophobicContact CB-CH2 3.98Å; K816-W835 HydrophobicContact CB-CZ2 4.39Å; K816-W835 HydrophobicContact CB-CZ3 4.18Å; K816-W835 HydrophobicContact CD-CZ2 4.4Å; K816-W835 HydrophobicContact CG-CD2 4.08Å; K816-W835 HydrophobicContact CG-CE3 4.1Å; K816-W835 HydrophobicContact CG-CH2 3.45Å; K816-W835 VanDerWaalsContact CG-CH2 3.45Å; K816-W835 HydrophobicContact CG-CZ2 3.39Å; K816-W835 HydrophobicContact CG-CZ3 3.8Å
817	M	95.9	Very high	92.6	Very high	30 Å²	30	62.8 Å²	62.8	15%	0.148	31%	0.307	C	S	.	.	H	α-helix	trans	-58.8	-49.1	172.9	-73.3	175.7	69.5	0	0	111.4	V813 E814 Y819 N820 D821 G832 W835 Y836	V813-M817 HydrophobicContact CG1-SD 4.06Å; V813-M817 WeakPolarHBondContact O-CB 3.39Å; V813-M817 VanDerWaalsContact O-CG 3.27Å; V813-M817 WeakPolarHBondContact O-CG 3.46Å; V813-M817 PolarHBondContact O-N 3.21Å; E814-M817 PolarHBondContact O-N 3.05Å; M817-Y819 PolarHBondContact O-N 3.18Å; M817-N820 PolarHBondContact O-N 2.76Å; M817-D821 PolarHBondContact O-N 3.35Å; M817-G832 WeakPolarHBondContact O-CA 3.1Å; M817-W835 HydrophobicContact CG-CE3 3.93Å; M817-W835 HydrophobicContact CG-CZ3 4.01Å; M817-Y836 HydrophobicContact CE-CG 4.31Å; M817-Y836 HydrophobicContact SD-CD2 3.91Å; M817-Y836 HydrophobicContact SD-CG 3.97Å
818	K	95.4	Very high	92.6	Very high	106 Å²	106	60.1 Å²	60.1	46%	0.461	30%	0.303	S	S	.	.	H	α-helix	trans	-60.6	-43.3	177.8	-74.9	173	174.1	177.8	0	112.8	E814 L815 D821 Q822	E814-K818 HydrophobicContact CG-CD 4.25Å; E814-K818 WeakPolarHBondContact O-CB 3.37Å; E814-K818 WeakPolarHBondContact O-CG 3.42Å; E814-K818 PolarHBondContact O-N 3.21Å; E814-K818 WeakPolarHBondContact OE1-CE 3.18Å; E814-K818 IonicContact OE1-NZ 3.57Å; E814-K818 PolarHBondContact OE1-NZ 3.07Å; L815-K818 PolarHBondContact O-N 3.29Å; K818-D821 PolarHBondContact O-N 3.12Å; K818-Q822 WeakPolarHBondContact O-CB 3.13Å; K818-Q822 VanDerWaalsContact O-CG 3.24Å; K818-Q822 WeakPolarHBondContact O-CG 3.39Å; K818-Q822 PolarHBondContact O-N 2.97Å
819	Y	95.5	Very high	92.7	Very high	1 Å²	1	55.8 Å²	55.8	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-43.5	174	170.2	-89.7	0	0	0	111.5	D562 L613 N614 L815 K816 M817 Q822 H823 R827 L829	D562-Y819 HydrophobicContact CB-CE2 4.46Å; L613-Y819 HydrophobicContact CB-CD1 4.05Å; L613-Y819 HydrophobicContact CB-CD2 4.26Å; L613-Y819 HydrophobicContact CB-CG 3.92Å; L613-Y819 HydrophobicContact CD1-CD2 4.37Å; L613-Y819 HydrophobicContact CD1-CG 4.05Å; N614-Y819 HydrophobicContact CB-CE1 4.19Å; N614-Y819 WeakPolarHBondContact CB-OH 3.46Å; N614-Y819 PolarHBondContact ND2-OH 3.4Å; L815-Y819 WeakPolarHBondContact O-CB 3.36Å; L815-Y819 PolarHBondContact O-N 2.91Å; K816-Y819 HydrophobicContact CD-CD1 4.35Å; K816-Y819 PolarHBondContact O-N 3.39Å; M817-Y819 PolarHBondContact O-N 3.18Å; Y819-Q822 WeakPolarHBondContact O-CB 3.31Å; Y819-Q822 PolarHBondContact O-N 2.97Å; Y819-H823 AromaticContact CD2-CD2 3.41Å; Y819-H823 VanDerWaalsContact CD2-CD2 3.41Å; Y819-H823 WeakPolarHBondContact CD2-CD2 3.37Å; Y819-H823 AromaticContact CD2-NE2 3.87Å; Y819-H823 AromaticContact CE2-CD2 3.21Å; Y819-H823 WeakPolarHBondContact CE2-CD2 3.36Å; Y819-H823 AromaticContact CE2-NE2 3.6Å; Y819-H823 AromaticContact CZ-CD2 3.71Å; Y819-H823 PolarHBondContact O-CD2 3.39Å; Y819-H823 VanDerWaalsContact O-CD2 3.29Å; Y819-H823 PolarHBondContact O-N 3.31Å; Y819-R827 PolarHBondContact OH-NH1 3.49Å; Y819-L829 HydrophobicContact CD1-CD1 4.37Å; Y819-L829 HydrophobicContact CE1-CD1 3.64Å
820	N	95.3	Very high	92.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64	-41.3	176.7	-93.8	59.6	0	0	0	112.7	E645 K816 M817 H823 C824 L830	E645-N820 PolarHBondContact OE1-ND2 2.89Å; K816-N820 WeakPolarHBondContact CD-OD1 3.45Å; K816-N820 WeakPolarHBondContact CE-OD1 3.3Å; K816-N820 PolarHBondContact NZ-OD1 3.01Å; K816-N820 WeakPolarHBondContact O-CB 3.46Å; K816-N820 PolarHBondContact O-N 3.39Å; K816-N820 PolarHBondContact O-OD1 3.4Å; M817-N820 PolarHBondContact O-N 2.76Å; N820-H823 PolarHBondContact O-N 3.12Å; N820-C824 WeakPolarHBondContact O-CA 3.35Å; N820-C824 VanDerWaalsContact O-CB 3.23Å; N820-C824 WeakPolarHBondContact O-CB 3.02Å; N820-C824 PolarHBondContact O-N 3.12Å; N820-L830 WeakPolarHBondContact CB-O 3.36Å; N820-L830 PolarHBondContact ND2-O 3.42Å
821	D	95.8	Very high	93.2	Very high	77 Å²	77	50 Å²	50	41%	0.412	26%	0.258	S	S	.	.	H	α-helix	trans	-65	-37.4	173.7	-71.1	-41.8	0	0	0	112.1	M817 K818 C824 P831 G832	M817-D821 PolarHBondContact O-N 3.35Å; K818-D821 PolarHBondContact O-N 3.12Å; D821-C824 PolarHBondContact O-SG 3.46Å; D821-P831 WeakPolarHBondContact OD1-CA 3.44Å; D821-P831 WeakPolarHBondContact OD1-CB 3.17Å; D821-G832 PolarHBondContact OD1-N 2.82Å
822	Q	94.6	Very high	93.3	Very high	115 Å²	115	49.2 Å²	49.2	54%	0.537	25%	0.254	S	S	.	.	H	α-helix	trans	-64.3	-40.5	174.1	-74.4	169.3	-20.4	0	0	112.8	K818 Y819	K818-Q822 WeakPolarHBondContact O-CB 3.13Å; K818-Q822 VanDerWaalsContact O-CG 3.24Å; K818-Q822 WeakPolarHBondContact O-CG 3.39Å; K818-Q822 PolarHBondContact O-N 2.97Å; Y819-Q822 WeakPolarHBondContact O-CB 3.31Å; Y819-Q822 PolarHBondContact O-N 2.97Å
823	H	92.4	Very high	93.2	Very high	23 Å²	23	50.4 Å²	50.4	11%	0.106	26%	0.259	C	S	.	.	H	α-helix	trans	-105.2	-1.7	-171.2	-67.9	-73.8	0	0	0	115.7	Y819 N820 K825 S826 R827 L829	Y819-H823 AromaticContact CD2-CD2 3.41Å; Y819-H823 VanDerWaalsContact CD2-CD2 3.41Å; Y819-H823 WeakPolarHBondContact CD2-CD2 3.37Å; Y819-H823 AromaticContact CD2-NE2 3.87Å; Y819-H823 AromaticContact CE2-CD2 3.21Å; Y819-H823 WeakPolarHBondContact CE2-CD2 3.36Å; Y819-H823 AromaticContact CE2-NE2 3.6Å; Y819-H823 AromaticContact CZ-CD2 3.71Å; Y819-H823 PolarHBondContact O-CD2 3.39Å; Y819-H823 VanDerWaalsContact O-CD2 3.29Å; Y819-H823 PolarHBondContact O-N 3.31Å; N820-H823 PolarHBondContact O-N 3.12Å; H823-K825 VanDerWaalsContact C-N 3.32Å; H823-K825 PolarHBondContact O-N 3.43Å; H823-S826 PolarHBondContact O-N 2.83Å; H823-S826 PolarHBondContact O-OG 3.45Å; H823-R827 HydrophobicContact CB-CB 4.5Å; H823-R827 HydrophobicContact CB-CG 4.39Å; H823-R827 PolarHBondContact O-N 3.37Å; H823-L829 HydrophobicContact CB-CD1 3.93Å
824	C	91.7	Very high	93.1	Very high	26 Å²	26	56.6 Å²	56.6	18%	0.176	28%	0.281	C	S	.	.	H	α-helix	trans	-53.8	-44.1	-178.8	61.3	0	0	0	0	113.7	N820 D821 G828 L829 P831	N820-C824 WeakPolarHBondContact O-CA 3.35Å; N820-C824 VanDerWaalsContact O-CB 3.23Å; N820-C824 WeakPolarHBondContact O-CB 3.02Å; N820-C824 PolarHBondContact O-N 3.12Å; D821-C824 PolarHBondContact O-SG 3.46Å; C824-G828 VanDerWaalsContact O-CA 3.29Å; C824-G828 WeakPolarHBondContact O-CA 3.42Å; C824-G828 PolarHBondContact O-N 3.13Å; C824-L829 VanDerWaalsContact CA-O 3.23Å; C824-L829 WeakPolarHBondContact CA-O 3.5Å; C824-L829 VanDerWaalsContact CB-O 3.25Å; C824-L829 WeakPolarHBondContact CB-O 3.33Å; C824-L829 PolarHBondContact O-N 3.39Å; C824-P831 HydrophobicContact CB-CG 4.35Å
825	K	89.5	Confident	93	Very high	202 Å²	202	55.3 Å²	55.3	88%	0.878	28%	0.275	S	S	*	.	H	α-helix	trans	-77.8	-34.2	-179.8	-65.7	178.9	-176.4	175	0	113.7	H823	H823-K825 VanDerWaalsContact C-N 3.32Å; H823-K825 PolarHBondContact O-N 3.43Å
826	S	90.1	Very high	92.9	Very high	86 Å²	86	56 Å²	56	60%	0.601	28%	0.276	S	S	*	.	H	α-helix	trans	-90.5	-27.8	-171.7	51.2	0	0	0	0	113.6	H823	H823-S826 PolarHBondContact O-N 2.83Å; H823-S826 PolarHBondContact O-OG 3.45Å
827	R	88.9	Confident	92.6	Very high	90 Å²	90	57.6 Å²	57.6	34%	0.34	28%	0.284	S	S	.	.	H	α-helix	trans	-120.4	4.3	-179.9	-59.3	-170.9	-174.8	-176.7	9.5	114.1	D562 N614 Y819 H823 L829	D562-R827 IonicContact OD1-CZ 2.71Å; D562-R827 IonicContact OD1-NH1 2.89Å; D562-R827 PolarHBondContact OD1-NH1 3.34Å; D562-R827 IonicContact OD1-NH2 3.55Å; D562-R827 PolarHBondContact OD1-NH2 3.47Å; D562-R827 IonicContact OD2-CZ 2.84Å; D562-R827 IonicContact OD2-NH1 2.77Å; D562-R827 PolarHBondContact OD2-NH1 3.38Å; D562-R827 IonicContact OD2-NH2 3.26Å; N614-R827 PolarHBondContact ND2-NH1 2.95Å; Y819-R827 PolarHBondContact OH-NH1 3.49Å; H823-R827 HydrophobicContact CB-CB 4.5Å; H823-R827 HydrophobicContact CB-CG 4.39Å; H823-R827 PolarHBondContact O-N 3.37Å; R827-L829 VanDerWaalsContact C-N 3.25Å; R827-L829 HydrophobicContact CB-CG 4.14Å; R827-L829 PolarHBondContact O-N 3.09Å
828	G	87.9	Confident	92.3	Very high	44 Å²	44	57.4 Å²	57.4	45%	0.454	28%	0.283	S	S	.	.			trans	67.8	22.5	179.5	0	0	0	0	0	114.4	S644 C824	S644-G828 WeakPolarHBondContact CB-O 3.38Å; S644-G828 PolarHBondContact OG-O 3.02Å; C824-G828 VanDerWaalsContact O-CA 3.29Å; C824-G828 WeakPolarHBondContact O-CA 3.42Å; C824-G828 PolarHBondContact O-N 3.13Å
829	L	91.8	Very high	92.1	Very high	9 Å²	9	52.7 Å²	52.7	5%	0.047	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-73	159.8	173.4	-53.3	-175.8	0	0	0	110.7	E645 Y819 H823 C824 R827	E645-L829 HydrophobicContact CG-CD2 4.19Å; Y819-L829 HydrophobicContact CD1-CD1 4.37Å; Y819-L829 HydrophobicContact CE1-CD1 3.64Å; H823-L829 HydrophobicContact CB-CD1 3.93Å; C824-L829 VanDerWaalsContact CA-O 3.23Å; C824-L829 WeakPolarHBondContact CA-O 3.5Å; C824-L829 VanDerWaalsContact CB-O 3.25Å; C824-L829 WeakPolarHBondContact CB-O 3.33Å; C824-L829 PolarHBondContact O-N 3.39Å; R827-L829 VanDerWaalsContact C-N 3.25Å; R827-L829 HydrophobicContact CB-CG 4.14Å; R827-L829 PolarHBondContact O-N 3.09Å
830	L	91.2	Very high	91.9	Very high	38 Å²	38	52.7 Å²	52.7	20%	0.199	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-73.9	145.5	168.9	-77.2	177.2	0	0	0	111.3	P638 S641 N820 R834 I838	P638-L830 HydrophobicContact CG-CD1 4.29Å; S641-L830 VanDerWaalsContact OG-CD1 3.25Å; S641-L830 WeakPolarHBondContact OG-CD1 3.38Å; S641-L830 VanDerWaalsContact OG-CG 3.28Å; S641-L830 WeakPolarHBondContact OG-CG 3.46Å; N820-L830 WeakPolarHBondContact CB-O 3.36Å; N820-L830 PolarHBondContact ND2-O 3.42Å; L830-R834 HydrophobicContact CB-CB 4.27Å; L830-R834 HydrophobicContact CD1-CB 4.38Å; L830-R834 HydrophobicContact CD2-CB 4.46Å; L830-I838 HydrophobicContact CD1-CD1 3.17Å
831	P	94.4	Very high	91.6	Very high	39 Å²	39	53.3 Å²	53.3	25%	0.253	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-52.1	148.7	167.2	-26.4	35.5	0	0	0	112.1	D821 C824 H833 R834 W835	D821-P831 WeakPolarHBondContact OD1-CA 3.44Å; D821-P831 WeakPolarHBondContact OD1-CB 3.17Å; C824-P831 HydrophobicContact CB-CG 4.35Å; P831-H833 VanDerWaalsContact C-N 3.28Å; P831-H833 PolarHBondContact O-N 3.07Å; P831-R834 PolarHBondContact O-N 2.93Å; P831-W835 PolarHBondContact O-N 3.31Å
832	G	94.3	Very high	91.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-54.1	-41.5	-172.3	0	0	0	0	0	113.2	M817 D821 R834 W835 Y836	M817-G832 WeakPolarHBondContact O-CA 3.1Å; D821-G832 PolarHBondContact OD1-N 2.82Å; G832-R834 PolarHBondContact O-N 2.9Å; G832-W835 PolarHBondContact O-N 3.24Å; G832-Y836 VanDerWaalsContact O-CB 3.28Å; G832-Y836 WeakPolarHBondContact O-CB 3.4Å; G832-Y836 PolarHBondContact O-N 3.45Å
833	H	92.7	Very high	91.1	Very high	94 Å²	94	44.9 Å²	44.9	44%	0.435	22%	0.223	S	C	.	.	H	α-helix	trans	-62.5	-37.8	176.1	72.1	-90.4	0	0	0	113.4	P831 E837	P831-H833 VanDerWaalsContact C-N 3.28Å; P831-H833 PolarHBondContact O-N 3.07Å; H833-E837 WeakPolarHBondContact O-CG 3.44Å; H833-E837 PolarHBondContact O-N 3.35Å
834	R	91.3	Very high	91	Very high	146 Å²	146	43.8 Å²	43.8	55%	0.551	22%	0.218	S	C	*	.	H	α-helix	trans	-76.8	-37.8	178.1	-68.9	-143.5	177.6	-167.5	-0.6	112.3	L830 P831 G832 Y836 E837 I838	L830-R834 HydrophobicContact CB-CB 4.27Å; L830-R834 HydrophobicContact CD1-CB 4.38Å; L830-R834 HydrophobicContact CD2-CB 4.46Å; P831-R834 PolarHBondContact O-N 2.93Å; G832-R834 PolarHBondContact O-N 2.9Å; R834-Y836 VanDerWaalsContact C-N 3.35Å; R834-E837 PolarHBondContact O-N 3.4Å; R834-I838 WeakPolarHBondContact O-CD1 3.14Å; R834-I838 WeakPolarHBondContact O-CG1 3.26Å; R834-I838 PolarHBondContact O-N 3.34Å
835	W	92.3	Very high	91	Very high	16 Å²	16	43.2 Å²	43.2	6%	0.061	21%	0.213	C	C	.	.	H	α-helix	trans	-57.2	-50.7	170.7	172.9	88.8	0	0	0	110.1	V813 K816 M817 P831 G832 E837 I838 Q839	V813-W835 HydrophobicContact CG1-CZ3 4.28Å; K816-W835 HydrophobicContact CB-CH2 3.98Å; K816-W835 HydrophobicContact CB-CZ2 4.39Å; K816-W835 HydrophobicContact CB-CZ3 4.18Å; K816-W835 HydrophobicContact CD-CZ2 4.4Å; K816-W835 HydrophobicContact CG-CD2 4.08Å; K816-W835 HydrophobicContact CG-CE3 4.1Å; K816-W835 HydrophobicContact CG-CH2 3.45Å; K816-W835 VanDerWaalsContact CG-CH2 3.45Å; K816-W835 HydrophobicContact CG-CZ2 3.39Å; K816-W835 HydrophobicContact CG-CZ3 3.8Å; M817-W835 HydrophobicContact CG-CE3 3.93Å; M817-W835 HydrophobicContact CG-CZ3 4.01Å; P831-W835 PolarHBondContact O-N 3.31Å; G832-W835 PolarHBondContact O-N 3.24Å; W835-E837 PolarHBondContact O-N 3.06Å; W835-I838 PolarHBondContact O-N 3.01Å; W835-I838 VanDerWaalsContact O-N 3.15Å; W835-Q839 HydrophobicContact CD2-CG 4.17Å; W835-Q839 HydrophobicContact CE3-CG 4.48Å; W835-Q839 HydrophobicContact CH2-CG 4.11Å; W835-Q839 HydrophobicContact CZ2-CG 3.76Å; W835-Q839 HydrophobicContact CZ3-CG 4.47Å; W835-Q839 VanDerWaalsContact NE1-NE2 3.12Å; W835-Q839 WeakPolarHBondContact O-CG 3.49Å; W835-Q839 PolarHBondContact O-N 3.1Å
836	Y	93.3	Very high	90.9	Very high	32 Å²	32	34.6 Å²	34.6	13%	0.125	18%	0.176	C	C	.	.	H	α-helix	trans	-58.8	-42.7	177.9	174.1	-101.7	0	0	0	113.2	F805 P806 I808 V813 M817 G832 R834 Q839 A840	F805-Y836 AromaticContact CD1-CD1 3.9Å; F805-Y836 HydrophobicContact CD1-CD1 3.9Å; F805-Y836 AromaticContact CD1-CE1 3.35Å; F805-Y836 HydrophobicContact CD1-CE1 3.35Å; F805-Y836 AromaticContact CD1-CZ 3.76Å; F805-Y836 HydrophobicContact CE1-CD1 4.13Å; F805-Y836 AromaticContact CE1-CE1 3.84Å; F805-Y836 HydrophobicContact CE1-CE1 3.84Å; F805-Y836 HydrophobicContact CG-CE1 4.25Å; P806-Y836 HydrophobicContact CB-CD2 4.31Å; P806-Y836 HydrophobicContact CB-CE2 4Å; P806-Y836 HydrophobicContact CG-CD2 4.16Å; P806-Y836 HydrophobicContact CG-CE2 4.18Å; P806-Y836 WeakPolarHBondContact O-CE2 3.33Å; P806-Y836 PolarHBondContact O-OH 2.9Å; P806-Y836 VanDerWaalsContact O-OH 3.09Å; I808-Y836 HydrophobicContact CB-CE2 4.32Å; V813-Y836 HydrophobicContact CG1-CD2 3.81Å; V813-Y836 HydrophobicContact CG1-CE2 4.04Å; M817-Y836 HydrophobicContact CE-CG 4.31Å; M817-Y836 HydrophobicContact SD-CD2 3.91Å; M817-Y836 HydrophobicContact SD-CG 3.97Å; G832-Y836 VanDerWaalsContact O-CB 3.28Å; G832-Y836 WeakPolarHBondContact O-CB 3.4Å; G832-Y836 PolarHBondContact O-N 3.45Å; R834-Y836 VanDerWaalsContact C-N 3.35Å; Y836-Q839 PolarHBondContact O-N 2.94Å; Y836-A840 PolarHBondContact O-N 2.86Å
837	E	91	Very high	91	Very high	36 Å²	36	30.5 Å²	30.5	17%	0.168	15%	0.147	C	C	.	.	H	α-helix	trans	-61.7	-44.1	173.3	-78.9	177.3	-168.3	0	0	112.5	F805 H833 R834 W835 Q839 A840 Y841 K874	F805-E837 HydrophobicContact CE1-CG 3.99Å; F805-E837 HydrophobicContact CZ-CG 4.5Å; H833-E837 WeakPolarHBondContact O-CG 3.44Å; H833-E837 PolarHBondContact O-N 3.35Å; R834-E837 PolarHBondContact O-N 3.4Å; W835-E837 PolarHBondContact O-N 3.06Å; E837-Q839 VanDerWaalsContact C-N 3.31Å; E837-Q839 PolarHBondContact O-N 3.18Å; E837-A840 WeakPolarHBondContact O-CB 3.39Å; E837-A840 PolarHBondContact O-N 2.58Å; E837-A840 VanDerWaalsContact O-N 3.09Å; E837-Y841 HydrophobicContact CB-CE2 4.08Å; E837-Y841 WeakPolarHBondContact O-CD2 3.37Å; E837-Y841 PolarHBondContact O-N 2.94Å; E837-Y841 VanDerWaalsContact O-N 3.16Å; E837-K874 VanDerWaalsContact CD-CE 3.43Å; E837-K874 WeakPolarHBondContact OE1-CE 3.34Å; E837-K874 IonicContact OE1-NZ 2.62Å; E837-K874 PolarHBondContact OE1-NZ 2.9Å; E837-K874 WeakPolarHBondContact OE2-CE 3.5Å; E837-K874 IonicContact OE2-NZ 3.2Å
838	I	89.2	Confident	91	Very high	25 Å²	25	26.2 Å²	26.2	13%	0.128	13%	0.131	C	C	.	.	H	α-helix	trans	-63.4	-36	177.3	-73.2	159.8	0	0	0	111.9	P638 L830 R834 W835 A840 Y841 R842	P638-I838 HydrophobicContact CG-CD1 3.64Å; L830-I838 HydrophobicContact CD1-CD1 3.17Å; R834-I838 WeakPolarHBondContact O-CD1 3.14Å; R834-I838 WeakPolarHBondContact O-CG1 3.26Å; R834-I838 PolarHBondContact O-N 3.34Å; W835-I838 PolarHBondContact O-N 3.01Å; W835-I838 VanDerWaalsContact O-N 3.15Å; I838-A840 PolarHBondContact O-N 2.87Å; I838-Y841 PolarHBondContact O-N 3.17Å; I838-R842 HydrophobicContact CG2-CG 4.11Å; I838-R842 WeakPolarHBondContact O-CG 3.02Å; I838-R842 PolarHBondContact O-N 3.41Å
839	Q	90.3	Very high	91	Very high	8 Å²	8	24.3 Å²	24.3	4%	0.037	11%	0.112	C	C	.	.	H	α-helix	trans	-61.6	-30.4	174.8	-64.1	-52	-19.4	0	0	112.6	R781 P806 W835 Y836 E837	R781-Q839 PolarHBondContact NH2-O 3.23Å; P806-Q839 HydrophobicContact CG-CB 3.74Å; W835-Q839 HydrophobicContact CD2-CG 4.17Å; W835-Q839 HydrophobicContact CE3-CG 4.48Å; W835-Q839 HydrophobicContact CH2-CG 4.11Å; W835-Q839 HydrophobicContact CZ2-CG 3.76Å; W835-Q839 HydrophobicContact CZ3-CG 4.47Å; W835-Q839 VanDerWaalsContact NE1-NE2 3.12Å; W835-Q839 WeakPolarHBondContact O-CG 3.49Å; W835-Q839 PolarHBondContact O-N 3.1Å; Y836-Q839 PolarHBondContact O-N 2.94Å; E837-Q839 VanDerWaalsContact C-N 3.31Å; E837-Q839 PolarHBondContact O-N 3.18Å
840	A	91.6	Very high	90.9	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-71.2	-50	172.2	0	0	0	0	0	111.5	I803 P804 F805 Y836 E837 I838 R842 A843 L844	I803-A840 HydrophobicContact CG2-CB 4.02Å; P804-A840 WeakPolarHBondContact O-CA 3.37Å; F805-A840 HydrophobicContact CB-CB 4.42Å; F805-A840 HydrophobicContact CD1-CB 3.68Å; F805-A840 HydrophobicContact CD2-CB 4.34Å; F805-A840 HydrophobicContact CE1-CB 3.97Å; F805-A840 HydrophobicContact CG-CB 3.9Å; F805-A840 HydrophobicContact CZ-CB 4.39Å; Y836-A840 PolarHBondContact O-N 2.86Å; E837-A840 WeakPolarHBondContact O-CB 3.39Å; E837-A840 PolarHBondContact O-N 2.58Å; E837-A840 VanDerWaalsContact O-N 3.09Å; I838-A840 PolarHBondContact O-N 2.87Å; A840-R842 PolarHBondContact O-N 2.88Å; A840-A843 PolarHBondContact O-N 3Å; A840-L844 PolarHBondContact O-N 3.17Å
841	Y	90.3	Very high	90.8	Very high	13 Å²	13	23.3 Å²	23.3	5%	0.051	11%	0.105	C	C	.	.	H	α-helix	trans	-66.6	-32.2	-178.1	-59.9	-61.8	0	0	0	113.6	E837 I838 A843 L844 N845 Y875 G878	E837-Y841 HydrophobicContact CB-CE2 4.08Å; E837-Y841 WeakPolarHBondContact O-CD2 3.37Å; E837-Y841 PolarHBondContact O-N 2.94Å; E837-Y841 VanDerWaalsContact O-N 3.16Å; I838-Y841 PolarHBondContact O-N 3.17Å; Y841-A843 VanDerWaalsContact C-N 3.32Å; Y841-A843 PolarHBondContact O-N 3.06Å; Y841-L844 HydrophobicContact CD1-CD2 4.39Å; Y841-L844 PolarHBondContact O-N 2.89Å; Y841-N845 WeakPolarHBondContact O-CB 3.31Å; Y841-N845 VanDerWaalsContact O-CG 3.32Å; Y841-N845 PolarHBondContact O-N 3.31Å; Y841-N845 PolarHBondContact O-ND2 3.06Å; Y841-Y875 HydrophobicContact CE1-CD1 4.45Å; Y841-Y875 WeakPolarHBondContact OH-CD1 3.38Å; Y841-G878 WeakPolarHBondContact CB-O 3.38Å
842	R	88.1	Confident	90.4	Very high	13 Å²	13	21.4 Å²	21.4	5%	0.049	9%	0.093	C	C	.	.	H	α-helix	trans	-60.5	-40.1	173.3	-77.8	-179.8	-176.5	166.9	2.6	112.4	E414 I838 A840 Q846	E414-R842 IonicContact OE1-CZ 2.66Å; E414-R842 IonicContact OE1-NH1 2.86Å; E414-R842 PolarHBondContact OE1-NH1 3.25Å; E414-R842 IonicContact OE1-NH2 3.74Å; E414-R842 PolarHBondContact OE1-NH2 2.92Å; E414-R842 IonicContact OE2-CZ 3.59Å; E414-R842 IonicContact OE2-NH1 3.87Å; E414-R842 PolarHBondContact OE2-NH1 2.84Å; E414-R842 IonicContact OE2-NH2 3.81Å; I838-R842 HydrophobicContact CG2-CG 4.11Å; I838-R842 WeakPolarHBondContact O-CG 3.02Å; I838-R842 PolarHBondContact O-N 3.41Å; A840-R842 PolarHBondContact O-N 2.88Å; R842-Q846 VanDerWaalsContact O-CG 3.29Å; R842-Q846 WeakPolarHBondContact O-CG 3.05Å; R842-Q846 PolarHBondContact O-N 3.26Å; R842-Q846 PolarHBondContact O-NE2 2.86Å
843	A	90.4	Very high	90	Very high	2 Å²	2	23 Å²	23	2%	0.017	10%	0.098	C	C	.	.	H	α-helix	trans	-71.7	-40.1	176.4	0	0	0	0	0	111.6	C780 R781 P804 A840 Y841 Q846 A847	C780-A843 HydrophobicContact CB-CB 4.5Å; R781-A843 HydrophobicContact CG-CB 3.75Å; P804-A843 HydrophobicContact CB-CB 4.44Å; P804-A843 HydrophobicContact CG-CB 3.92Å; A840-A843 PolarHBondContact O-N 3Å; Y841-A843 VanDerWaalsContact C-N 3.32Å; Y841-A843 PolarHBondContact O-N 3.06Å; A843-Q846 PolarHBondContact O-N 3.06Å; A843-A847 PolarHBondContact O-N 2.88Å
844	L	91.9	Very high	89.7	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.7	-49.9	175.8	-175.4	67.9	0	0	0	112.2	T800 P804 A840 Y841 Q846 A847 L848 Y868 L879	T800-L844 HydrophobicContact CG2-CD1 3.8Å; P804-L844 HydrophobicContact CG-CB 4.14Å; A840-L844 PolarHBondContact O-N 3.17Å; Y841-L844 HydrophobicContact CD1-CD2 4.39Å; Y841-L844 PolarHBondContact O-N 2.89Å; L844-Q846 VanDerWaalsContact C-N 3.26Å; L844-Q846 PolarHBondContact O-N 3.21Å; L844-A847 WeakPolarHBondContact O-CB 3.41Å; L844-A847 PolarHBondContact O-N 2.88Å; L844-L848 HydrophobicContact CG-CD1 4.06Å; L844-L848 HydrophobicContact CG-CG 4.48Å; L844-L848 WeakPolarHBondContact O-CG 3.45Å; L844-L848 PolarHBondContact O-N 3.1Å; L844-Y868 WeakPolarHBondContact CD2-OH 3.44Å; L844-L879 HydrophobicContact CD2-CD2 3.58Å; L844-L879 HydrophobicContact CG-CD2 4.4Å
845	N	89.8	Confident	89.5	Confident	14 Å²	14	20.6 Å²	20.6	8%	0.075	9%	0.088	C	C	.	.	H	α-helix	trans	-64	-30.3	179.7	-70.4	-47.7	0	0	0	112.2	T635 Y841 G849 G878 L879 S880	T635-N845 HydrophobicContact CG2-CB 3.67Å; Y841-N845 WeakPolarHBondContact O-CB 3.31Å; Y841-N845 VanDerWaalsContact O-CG 3.32Å; Y841-N845 PolarHBondContact O-N 3.31Å; Y841-N845 PolarHBondContact O-ND2 3.06Å; N845-G849 PolarHBondContact O-N 2.92Å; N845-G878 PolarHBondContact ND2-O 3.4Å; N845-L879 WeakPolarHBondContact OD1-CA 3.49Å; N845-S880 VanDerWaalsContact CG-OG 3.31Å; N845-S880 PolarHBondContact OD1-N 2.84Å; N845-S880 PolarHBondContact OD1-OG 2.85Å
846	Q	88.8	Confident	89.3	Confident	21 Å²	21	24.8 Å²	24.8	10%	0.098	11%	0.112	C	C	.	.	H	α-helix	trans	-66.4	-35.1	171.5	-81	172.3	76.7	0	0	113.3	T635 R842 A843 L844 R850	T635-Q846 HydrophobicContact CG2-CG 4.42Å; R842-Q846 VanDerWaalsContact O-CG 3.29Å; R842-Q846 WeakPolarHBondContact O-CG 3.05Å; R842-Q846 PolarHBondContact O-N 3.26Å; R842-Q846 PolarHBondContact O-NE2 2.86Å; A843-Q846 PolarHBondContact O-N 3.06Å; L844-Q846 VanDerWaalsContact C-N 3.26Å; L844-Q846 PolarHBondContact O-N 3.21Å; Q846-R850 WeakPolarHBondContact O-CG 3.34Å; Q846-R850 PolarHBondContact O-NE 3.36Å
847	A	91.2	Very high	89.2	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-71.6	-47.8	174	0	0	0	0	0	111.3	F713 A843 L844 G849 R850	F713-A847 HydrophobicContact CB-CB 4.2Å; F713-A847 HydrophobicContact CD1-CB 4.16Å; F713-A847 HydrophobicContact CD2-CB 3.68Å; F713-A847 HydrophobicContact CE1-CB 4.48Å; F713-A847 HydrophobicContact CE2-CB 4.01Å; F713-A847 HydrophobicContact CG-CB 3.75Å; F713-A847 HydrophobicContact CZ-CB 4.4Å; A843-A847 PolarHBondContact O-N 2.88Å; L844-A847 WeakPolarHBondContact O-CB 3.41Å; L844-A847 PolarHBondContact O-N 2.88Å; A847-G849 VanDerWaalsContact C-N 3.29Å; A847-G849 PolarHBondContact O-N 3.46Å; A847-R850 VanDerWaalsContact O-CB 3.27Å; A847-R850 WeakPolarHBondContact O-CB 3.04Å; A847-R850 VanDerWaalsContact O-CG 3.31Å; A847-R850 WeakPolarHBondContact O-CG 3.32Å; A847-R850 PolarHBondContact O-N 2.82Å
848	L	90.6	Very high	89.3	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.3	-36.3	178	-62.6	173.6	0	0	0	112.5	V798 T800 L844 R850 C851 L861 L863 L879 V883	V798-L848 HydrophobicContact CG1-CD2 4.36Å; T800-L848 HydrophobicContact CG2-CD2 3.7Å; T800-L848 HydrophobicContact CG2-CG 4.37Å; L844-L848 HydrophobicContact CG-CD1 4.06Å; L844-L848 HydrophobicContact CG-CG 4.48Å; L844-L848 WeakPolarHBondContact O-CG 3.45Å; L844-L848 PolarHBondContact O-N 3.1Å; L848-R850 PolarHBondContact O-N 2.78Å; L848-C851 PolarHBondContact O-N 3.22Å; L848-L861 HydrophobicContact CB-CD1 4.29Å; L848-L861 HydrophobicContact CB-CD2 4.39Å; L848-L861 HydrophobicContact CD2-CB 4.23Å; L848-L861 HydrophobicContact CD2-CD1 4.34Å; L848-L861 HydrophobicContact CD2-CD2 4.04Å; L848-L861 HydrophobicContact CD2-CG 4.44Å; L848-L863 HydrophobicContact CD1-CD2 3.97Å; L848-L863 HydrophobicContact CD2-CD2 3.71Å; L848-L863 HydrophobicContact CG-CD2 4.44Å; L848-L879 HydrophobicContact CD1-CD2 3.97Å; L848-V883 HydrophobicContact CD1-CG1 4.45Å
849	G	87.6	Confident	89.5	Confident	5 Å²	5	22.5 Å²	22.5	5%	0.052	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-4.4	173.9	0	0	0	0	0	115.3	N845 A847	N845-G849 PolarHBondContact O-N 2.92Å; A847-G849 VanDerWaalsContact C-N 3.29Å; A847-G849 PolarHBondContact O-N 3.46Å
850	R	88.1	Confident	89.8	Confident	24 Å²	24	22.1 Å²	22.1	9%	0.091	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-18.4	176.3	-58.1	-65.1	161.6	-156.4	-17.7	114.1	L711 F713 S785 L788 F790 Q846 A847 L848 R853	L711-R850 HydrophobicContact CD1-CB 3.93Å; F713-R850 HydrophobicContact CZ-CG 4.22Å; S785-R850 PolarHBondContact O-NE 3.11Å; S785-R850 PolarHBondContact O-NH2 3.1Å; L788-R850 PolarHBondContact O-NH1 2.99Å; F790-R850 HydrophobicContact CD2-CB 4.36Å; Q846-R850 WeakPolarHBondContact O-CG 3.34Å; Q846-R850 PolarHBondContact O-NE 3.36Å; A847-R850 VanDerWaalsContact O-CB 3.27Å; A847-R850 WeakPolarHBondContact O-CB 3.04Å; A847-R850 VanDerWaalsContact O-CG 3.31Å; A847-R850 WeakPolarHBondContact O-CG 3.32Å; A847-R850 PolarHBondContact O-N 2.82Å; L848-R850 PolarHBondContact O-N 2.78Å; R850-R853 VanDerWaalsContact CD-NH2 3.25Å; R850-R853 PolarHBondContact O-NE 2.95Å; R850-R853 PolarHBondContact O-NH2 3.46Å; R850-R853 VanDerWaalsContact O-NH2 3.17Å
851	C	89	Confident	90.1	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.007	10%	0.098	C	C	.	.	S	Bend	trans	-78.4	-23.3	-173.9	-164.5	0	0	0	0	114.9	A795 V798 L848 L861	A795-C851 PolarHBondContact O-SG 2.99Å; V798-C851 HydrophobicContact CB-CB 4.36Å; V798-C851 HydrophobicContact CG2-CB 3.58Å; L848-C851 PolarHBondContact O-N 3.22Å; C851-L861 HydrophobicContact CB-CD2 3.64Å
852	I	87.9	Confident	90.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.096	C	C	.	.			trans	-136.9	113.2	-165.7	-63.8	-65.3	0	0	0	111.3	I660 V665 D857	I660-I852 HydrophobicContact CD1-CG2 4.29Å; I660-I852 HydrophobicContact CG2-CG2 3.79Å; V665-I852 HydrophobicContact CG2-CD1 3.57Å; V665-I852 HydrophobicContact CG2-CG1 3.74Å; I852-D857 HydrophobicContact CD1-CB 4.09Å; I852-D857 HydrophobicContact CG2-CB 4.33Å
853	R	85.3	Confident	90.8	Very high	32 Å²	32	20.9 Å²	20.9	12%	0.121	9%	0.093	C	C	.	.			trans	-116	-14.9	-170.7	-52	-50.3	-175.2	134	5.1	115.4	G48 L788 D789 F790 T791 R850 D857	G48-R853 VanDerWaalsContact CA-C 3.5Å; G48-R853 WeakPolarHBondContact CA-O 3.41Å; L788-R853 PolarHBondContact O-NH2 2.73Å; D789-R853 WeakPolarHBondContact OD1-CD 3.27Å; D789-R853 WeakPolarHBondContact OD1-CG 3.22Å; D789-R853 IonicContact OD1-CZ 2.93Å; D789-R853 IonicContact OD1-NE 2.8Å; D789-R853 PolarHBondContact OD1-NE 3.07Å; D789-R853 VanDerWaalsContact OD1-NE 3.13Å; D789-R853 IonicContact OD1-NH1 3.17Å; D789-R853 PolarHBondContact OD1-NH1 3Å; D789-R853 IonicContact OD1-NH2 2.88Å; F790-R853 VanDerWaalsContact N-CZ 3.34Å; F790-R853 WeakPolarHBondContact O-CG 3.39Å; F790-R853 PolarHBondContact O-NE 3.06Å; F790-R853 VanDerWaalsContact O-NE 3.09Å; T791-R853 HydrophobicContact CG2-CB 3.9Å; T791-R853 HydrophobicContact CG2-CG 3.95Å; R850-R853 VanDerWaalsContact CD-NH2 3.25Å; R850-R853 PolarHBondContact O-NE 2.95Å; R850-R853 PolarHBondContact O-NH2 3.46Å; R850-R853 VanDerWaalsContact O-NH2 3.17Å; R853-D857 PolarHBondContact N-OD2 3.01Å
854	H	86	Confident	91.1	Very high	68 Å²	68	20.8 Å²	20.8	32%	0.315	9%	0.093	S	C	.	.	S	Bend	trans	-153.3	168.8	170.8	56.8	17.2	0	0	0	113.6	D792 N856 D857	D792-H854 IonicContact OD1-CE1 3.39Å; D792-H854 PolarHBondContact OD1-CE1 3.42Å; D792-H854 IonicContact OD1-NE2 2.88Å; D792-H854 IonicContact OD2-CE1 2.66Å; D792-H854 IonicContact OD2-NE2 3.88Å; H854-N856 PolarHBondContact O-N 2.73Å; H854-D857 WeakPolarHBondContact ND1-CB 3.5Å; H854-D857 PolarHBondContact ND1-N 2.85Å; H854-D857 WeakPolarHBondContact O-CB 3.27Å; H854-D857 PolarHBondContact O-N 2.83Å
855	R	86.3	Confident	91.2	Very high	122 Å²	122	20.8 Å²	20.8	46%	0.46	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-20.7	-179.2	64.1	150.8	-158.3	-105.1	10	115.4	Y21 V659 Q664	Y21-R855 HydrophobicContact CE1-CG 4.3Å; Y21-R855 WeakPolarHBondContact OH-CG 3.32Å; Y21-R855 PolarHBondContact OH-NH1 3.14Å; V659-R855 HydrophobicContact CB-CB 4.34Å; V659-R855 HydrophobicContact CG2-CB 4.1Å; V659-R855 WeakPolarHBondContact O-CB 3.5Å; Q664-R855 PolarHBondContact NE2-O 2.69Å
856	N	88.5	Confident	91.3	Very high	105 Å²	105	20.6 Å²	20.6	56%	0.561	9%	0.092	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-3.8	179.9	-70.1	12.5	0	0	0	112.3	H854	H854-N856 PolarHBondContact O-N 2.73Å
857	D	90.8	Very high	91.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	9%	0.094	C	C	.	.			trans	-75.9	163.3	-174.2	-142.3	-17.3	0	0	0	111.9	Q664 R796 I852 R853 H854	Q664-D857 PolarHBondContact NE2-O 2.94Å; R796-D857 IonicContact CZ-OD1 3.7Å; R796-D857 IonicContact NH1-OD1 3.39Å; R796-D857 PolarHBondContact NH1-OD1 3.28Å; I852-D857 HydrophobicContact CD1-CB 4.09Å; I852-D857 HydrophobicContact CG2-CB 4.33Å; R853-D857 PolarHBondContact N-OD2 3.01Å; H854-D857 WeakPolarHBondContact ND1-CB 3.5Å; H854-D857 PolarHBondContact ND1-N 2.85Å; H854-D857 WeakPolarHBondContact O-CB 3.27Å; H854-D857 PolarHBondContact O-N 2.83Å
858	W	93.5	Very high	91.4	Very high	44 Å²	44	21.4 Å²	21.4	17%	0.167	9%	0.094	C	C	.	.			trans	-151.5	153	174.7	72.8	-86.1	0	0	0	112.1	Q664 M706 R796 F903 T904 F907	Q664-W858 HydrophobicContact CB-CB 4.31Å; Q664-W858 WeakPolarHBondContact O-CA 3.43Å; Q664-W858 VanDerWaalsContact O-CB 3.3Å; Q664-W858 WeakPolarHBondContact O-CB 3.42Å; M706-W858 HydrophobicContact CE-CZ3 4.3Å; R796-W858 PolarHBondContact NH1-O 2.93Å; W858-F903 AromaticContact CE3-CE1 3.75Å; W858-F903 HydrophobicContact CE3-CE1 3.75Å; W858-F903 AromaticContact CE3-CZ 3.93Å; W858-F903 HydrophobicContact CE3-CZ 3.93Å; W858-F903 AromaticContact CZ3-CE1 3.91Å; W858-F903 HydrophobicContact CZ3-CE1 3.91Å; W858-T904 HydrophobicContact CH2-CG2 4.36Å; W858-F907 HydrophobicContact CB-CD1 4.27Å; W858-F907 HydrophobicContact CB-CE1 4.03Å; W858-F907 HydrophobicContact CB-CZ 4.19Å; W858-F907 AromaticContact CD1-CD1 3.96Å; W858-F907 HydrophobicContact CD2-CB 3.9Å; W858-F907 AromaticContact CD2-CD1 3.99Å; W858-F907 HydrophobicContact CD2-CD1 3.99Å; W858-F907 AromaticContact CD2-CD2 3.98Å; W858-F907 HydrophobicContact CD2-CD2 3.98Å; W858-F907 AromaticContact CD2-CG 3.67Å; W858-F907 HydrophobicContact CD2-CG 3.67Å; W858-F907 AromaticContact CE2-CG 3.93Å; W858-F907 HydrophobicContact CE3-CB 4.12Å; W858-F907 AromaticContact CE3-CD2 3.75Å; W858-F907 HydrophobicContact CE3-CD2 3.75Å; W858-F907 HydrophobicContact CE3-CE2 4.37Å; W858-F907 AromaticContact CE3-CG 3.89Å; W858-F907 HydrophobicContact CE3-CG 3.89Å; W858-F907 AromaticContact CG-CD1 3.81Å; W858-F907 HydrophobicContact CG-CD1 3.81Å; W858-F907 HydrophobicContact CG-CD2 4.41Å; W858-F907 HydrophobicContact CG-CE1 4.08Å; W858-F907 HydrophobicContact CG-CG 4Å; W858-F907 HydrophobicContact CH2-CB 3.94Å; W858-F907 HydrophobicContact CZ2-CB 3.69Å; W858-F907 HydrophobicContact CZ2-CG 4.39Å; W858-F907 HydrophobicContact CZ3-CB 4.15Å; W858-F907 HydrophobicContact CZ3-CD2 4.21Å; W858-F907 HydrophobicContact CZ3-CG 4.35Å
859	G	94.8	Very high	91.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.3	179.3	178	0	0	0	0	0	114.6	Q664 V665 W666 R796 F903	Q664-G859 PolarHBondContact O-N 2.88Å; Q664-G859 VanDerWaalsContact O-N 3.12Å; V665-G859 WeakPolarHBondContact CA-O 3.22Å; W666-G859 PolarHBondContact N-O 3.47Å; R796-G859 CarbonylContact O-C 3.54Å; R796-G859 WeakPolarHBondContact O-CA 3.37Å; G859-F903 WeakPolarHBondContact O-CZ 3.49Å
860	A	96.4	Very high	91.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134	-174.8	0	0	0	0	0	113.1	W666 M706 R796 A797 V798 L900 F903	W666-A860 HydrophobicContact CB-CB 4.23Å; W666-A860 HydrophobicContact CE3-CB 4.12Å; W666-A860 WeakPolarHBondContact O-CA 3.21Å; M706-A860 HydrophobicContact CE-CB 4.28Å; M706-A860 HydrophobicContact SD-CB 4.22Å; R796-A860 PolarHBondContact O-N 2.88Å; A797-A860 CarbonylContact C-O 3.47Å; A797-A860 WeakPolarHBondContact CA-O 3.42Å; A797-A860 HydrophobicContact CB-CB 4.4Å; V798-A860 PolarHBondContact N-O 3.21Å; A860-L900 HydrophobicContact CB-CD1 3.41Å; A860-L900 VanDerWaalsContact CB-CD1 3.41Å; A860-F903 HydrophobicContact CB-CE1 4.35Å
861	L	96.6	Very high	90.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	114.2	174	-58.2	-176.1	0	0	0	109.9	V665 W666 V667 G668 V798 L848 C851 W882 V883	V665-L861 HydrophobicContact CG1-CD1 4.29Å; V665-L861 HydrophobicContact CG1-CG 4.22Å; W666-L861 PolarHBondContact O-N 2.8Å; V667-L861 WeakPolarHBondContact CA-O 3.42Å; V667-L861 HydrophobicContact CB-CB 4.47Å; V667-L861 HydrophobicContact CG1-CB 4.19Å; V667-L861 HydrophobicContact CG2-CB 4.2Å; V667-L861 HydrophobicContact CG2-CD1 4.06Å; V667-L861 HydrophobicContact CG2-CG 4.4Å; G668-L861 PolarHBondContact N-O 3.05Å; V798-L861 HydrophobicContact CB-CD2 3.93Å; V798-L861 HydrophobicContact CG2-CD2 4.46Å; L848-L861 HydrophobicContact CB-CD1 4.29Å; L848-L861 HydrophobicContact CB-CD2 4.39Å; L848-L861 HydrophobicContact CD2-CB 4.23Å; L848-L861 HydrophobicContact CD2-CD1 4.34Å; L848-L861 HydrophobicContact CD2-CD2 4.04Å; L848-L861 HydrophobicContact CD2-CG 4.44Å; C851-L861 HydrophobicContact CB-CD2 3.64Å; L861-W882 HydrophobicContact CD1-CH2 3.91Å; L861-W882 HydrophobicContact CD1-CZ3 4.17Å; L861-V883 HydrophobicContact CD1-CG1 4.14Å; L861-V883 HydrophobicContact CD1-CG2 4.12Å
862	I	97.3	Very high	90.5	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	105.4	-173.6	-60.2	154	0	0	0	109.1	W666 V670 V702 A797 V798 V799 T800 V864 L900	W666-I862 HydrophobicContact CE3-CG1 4.29Å; W666-I862 HydrophobicContact CH2-CG1 4.38Å; W666-I862 HydrophobicContact CZ3-CB 4.44Å; W666-I862 HydrophobicContact CZ3-CG1 3.58Å; V670-I862 HydrophobicContact CG2-CG2 4.26Å; V702-I862 HydrophobicContact CB-CD1 4.48Å; V702-I862 HydrophobicContact CG1-CD1 3.63Å; V702-I862 HydrophobicContact CG2-CD1 3.91Å; A797-I862 HydrophobicContact CB-CD1 4.43Å; V798-I862 PolarHBondContact O-N 2.96Å; V799-I862 WeakPolarHBondContact CA-O 3.39Å; V799-I862 HydrophobicContact CG1-CB 4.35Å; V799-I862 HydrophobicContact CG1-CG2 4.21Å; V799-I862 HydrophobicContact CG2-CB 4.24Å; V799-I862 HydrophobicContact CG2-CD1 3.94Å; T800-I862 PolarHBondContact N-O 3.12Å; I862-V864 HydrophobicContact CG2-CG2 3.86Å; I862-L900 HydrophobicContact CD1-CD2 4Å
863	L	96.4	Very high	90.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	102.5	-175.3	-58.6	178.6	0	0	0	110.6	V667 G668 T669 V670 T800 L848 D865 Y868 L879	V667-L863 HydrophobicContact CG1-CD1 4.42Å; G668-L863 PolarHBondContact O-N 2.81Å; T669-L863 CarbonylContact C-O 3.5Å; T669-L863 VanDerWaalsContact CA-O 3.27Å; T669-L863 WeakPolarHBondContact CA-O 3.34Å; T669-L863 HydrophobicContact CG2-CB 4.03Å; T669-L863 HydrophobicContact CG2-CD1 4.05Å; V670-L863 PolarHBondContact N-O 3.31Å; T800-L863 WeakPolarHBondContact OG1-CD2 3.3Å; L848-L863 HydrophobicContact CD1-CD2 3.97Å; L848-L863 HydrophobicContact CD2-CD2 3.71Å; L848-L863 HydrophobicContact CG-CD2 4.44Å; L863-D865 PolarHBondContact O-N 3.49Å; L863-Y868 HydrophobicContact CB-CD2 4.12Å; L863-Y868 HydrophobicContact CB-CE2 3.88Å; L863-L879 HydrophobicContact CD1-CD1 3.72Å
864	V	96.1	Very high	90.2	Very high	1 Å²	1	44 Å²	44	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	88.5	-171.4	-172	0	0	0	0	111.1	V670 L679 L698 V799 T800 I801 G802 I862	V670-V864 WeakPolarHBondContact O-CA 3.27Å; L679-V864 HydrophobicContact CB-CG1 4.11Å; L679-V864 HydrophobicContact CD1-CG1 3.46Å; L679-V864 VanDerWaalsContact CD1-CG1 3.46Å; L679-V864 HydrophobicContact CG-CG1 4.38Å; L698-V864 HydrophobicContact CD1-CG1 3.93Å; L698-V864 HydrophobicContact CD1-CG2 4.07Å; L698-V864 HydrophobicContact CD2-CG2 4Å; V799-V864 HydrophobicContact CG1-CG2 3.81Å; T800-V864 PolarHBondContact O-N 2.73Å; I801-V864 HydrophobicContact CD1-CB 3.76Å; I801-V864 HydrophobicContact CD1-CG1 4.05Å; I801-V864 HydrophobicContact CD1-CG2 3.8Å; G802-V864 PolarHBondContact N-O 2.74Å; I862-V864 HydrophobicContact CG2-CG2 3.86Å
865	D	94.3	Very high	90.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.203	C	C	.	.			trans	-162.7	134.1	167	-157.2	-73.1	0	0	0	112.3	V670 L679 A681 G802 L863 R867 Y868	V670-D865 PolarHBondContact O-N 3.31Å; L679-D865 CarbonylContact O-C 3.58Å; L679-D865 VanDerWaalsContact O-CA 3.32Å; L679-D865 WeakPolarHBondContact O-CA 3.47Å; A681-D865 WeakPolarHBondContact CB-OD2 3.34Å; A681-D865 PolarHBondContact N-OD2 3.15Å; G802-D865 WeakPolarHBondContact CA-OD2 3.1Å; L863-D865 PolarHBondContact O-N 3.49Å; D865-R867 VanDerWaalsContact CG-NE 3.31Å; D865-R867 PolarHBondContact O-N 2.86Å; D865-R867 WeakPolarHBondContact OD1-CB 3.42Å; D865-R867 WeakPolarHBondContact OD1-CG 3.4Å; D865-R867 IonicContact OD1-CZ 3.21Å; D865-R867 PolarHBondContact OD1-N 3.24Å; D865-R867 IonicContact OD1-NE 3.86Å; D865-R867 PolarHBondContact OD1-NE 3.49Å; D865-R867 IonicContact OD1-NH2 2.83Å; D865-R867 IonicContact OD2-CZ 2.86Å; D865-R867 IonicContact OD2-NE 3.89Å; D865-R867 PolarHBondContact OD2-NE 2.59Å; D865-R867 IonicContact OD2-NH2 2.69Å; D865-R867 PolarHBondContact OD2-NH2 2.73Å; D865-Y868 HydrophobicContact CB-CD2 3.66Å; D865-Y868 HydrophobicContact CB-CE2 3.69Å; D865-Y868 WeakPolarHBondContact O-CD2 3.3Å; D865-Y868 PolarHBondContact O-N 3.4Å
866	D	92.3	Very high	90.2	Very high	10 Å²	10	37.7 Å²	37.7	5%	0.053	19%	0.187	C	C	.	.	H	α-helix	trans	-61.4	-23.5	175.8	-162.6	44.1	0	0	0	112.7	K678 L679 Y868 K869 N870	K678-D866 WeakPolarHBondContact CD-OD2 3.3Å; K678-D866 IonicContact NZ-OD2 2.73Å; K678-D866 PolarHBondContact NZ-OD2 2.83Å; L679-D866 PolarHBondContact O-N 3.38Å; D866-Y868 VanDerWaalsContact C-N 3.26Å; D866-Y868 PolarHBondContact O-N 3.11Å; D866-K869 WeakPolarHBondContact O-CB 3.25Å; D866-K869 PolarHBondContact O-N 2.57Å; D866-N870 VanDerWaalsContact CG-ND2 3.33Å; D866-N870 PolarHBondContact O-N 2.78Å; D866-N870 PolarHBondContact O-ND2 2.92Å; D866-N870 PolarHBondContact OD2-ND2 3.41Å
867	R	91.7	Very high	90.1	Very high	38 Å²	38	35.9 Å²	35.9	14%	0.143	19%	0.187	C	C	.	.	H	α-helix	trans	-58.7	-33.5	175	-71.5	175.9	-74.6	-171.7	-5.6	113	A681 I803 D865 K869 N870 N871 Y875	A681-R867 PolarHBondContact O-NH2 3.11Å; I803-R867 HydrophobicContact CD1-CB 4.5Å; D865-R867 VanDerWaalsContact CG-NE 3.31Å; D865-R867 PolarHBondContact O-N 2.86Å; D865-R867 WeakPolarHBondContact OD1-CB 3.42Å; D865-R867 WeakPolarHBondContact OD1-CG 3.4Å; D865-R867 IonicContact OD1-CZ 3.21Å; D865-R867 PolarHBondContact OD1-N 3.24Å; D865-R867 IonicContact OD1-NE 3.86Å; D865-R867 PolarHBondContact OD1-NE 3.49Å; D865-R867 IonicContact OD1-NH2 2.83Å; D865-R867 IonicContact OD2-CZ 2.86Å; D865-R867 IonicContact OD2-NE 3.89Å; D865-R867 PolarHBondContact OD2-NE 2.59Å; D865-R867 IonicContact OD2-NH2 2.69Å; D865-R867 PolarHBondContact OD2-NH2 2.73Å; R867-K869 VanDerWaalsContact C-N 3.27Å; R867-K869 PolarHBondContact O-N 3.05Å; R867-N870 PolarHBondContact O-N 2.83Å; R867-N871 PolarHBondContact O-N 3.44Å; R867-Y875 HydrophobicContact CB-CD2 3.92Å; R867-Y875 HydrophobicContact CB-CE2 3.76Å; R867-Y875 HydrophobicContact CB-CG 4.41Å; R867-Y875 HydrophobicContact CG-CE2 4.32Å; R867-Y875 VanDerWaalsContact O-CD2 3.25Å; R867-Y875 WeakPolarHBondContact O-CD2 3.49Å
868	Y	90.3	Very high	89.8	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.9	-32.5	176.5	-66.2	-68.3	0	0	0	112.5	T669 I803 L844 L863 D865 D866 P872 H889	T669-Y868 HydrophobicContact CG2-CD2 4.43Å; T669-Y868 HydrophobicContact CG2-CG 3.99Å; I803-Y868 HydrophobicContact CD1-CE1 4.38Å; I803-Y868 HydrophobicContact CG1-CE2 4.36Å; L844-Y868 WeakPolarHBondContact CD2-OH 3.44Å; L863-Y868 HydrophobicContact CB-CD2 4.12Å; L863-Y868 HydrophobicContact CB-CE2 3.88Å; D865-Y868 HydrophobicContact CB-CD2 3.66Å; D865-Y868 HydrophobicContact CB-CE2 3.69Å; D865-Y868 WeakPolarHBondContact O-CD2 3.3Å; D865-Y868 PolarHBondContact O-N 3.4Å; D866-Y868 VanDerWaalsContact C-N 3.26Å; D866-Y868 PolarHBondContact O-N 3.11Å; Y868-P872 WeakPolarHBondContact O-CA 3.35Å; Y868-H889 PolarHBondContact O-CE1 3.3Å
869	K	86	Confident	89.6	Confident	81 Å²	81	34.9 Å²	34.9	35%	0.352	19%	0.19	S	C	.	.	H	α-helix	trans	-79.2	-43	177.3	-178.3	-178.2	179	-178.7	0	111.8	D866 R867 P872 N891	D866-K869 WeakPolarHBondContact O-CB 3.25Å; D866-K869 PolarHBondContact O-N 2.57Å; R867-K869 VanDerWaalsContact C-N 3.27Å; R867-K869 PolarHBondContact O-N 3.05Å; K869-P872 WeakPolarHBondContact O-CD 3.4Å; K869-N891 PolarHBondContact NZ-O 3.49Å
870	N	86.1	Confident	89.2	Confident	85 Å²	85	35.2 Å²	35.2	46%	0.455	19%	0.192	S	C	.	.	H	α-helix	trans	-76.8	-27.5	-174.9	-61.9	-28.5	0	0	0	113.1	D866 R867	D866-N870 VanDerWaalsContact CG-ND2 3.33Å; D866-N870 PolarHBondContact O-N 2.78Å; D866-N870 PolarHBondContact O-ND2 2.92Å; D866-N870 PolarHBondContact OD2-ND2 3.41Å; R867-N870 PolarHBondContact O-N 2.83Å
871	N	83.6	Confident	88.6	Confident	88 Å²	88	37.6 Å²	37.6	47%	0.471	20%	0.203	S	C	.	.			trans	-140.5	58	-176.1	-85.4	-85.3	0	0	0	112.1	R867 N873 K874 Y875	R867-N871 PolarHBondContact O-N 3.44Å; N871-N873 PolarHBondContact O-N 3.04Å; N871-K874 HydrophobicContact CB-CB 4.33Å; N871-K874 PolarHBondContact O-N 3.27Å; N871-Y875 HydrophobicContact CB-CD2 3.62Å; N871-Y875 HydrophobicContact CB-CE2 3.61Å; N871-Y875 WeakPolarHBondContact O-CD2 3.38Å; N871-Y875 PolarHBondContact O-N 3.32Å; N871-Y875 VanDerWaalsContact O-N 3.09Å
872	P	81.1	Confident	88	Confident	41 Å²	41	38.9 Å²	38.9	27%	0.266	21%	0.208	S	C	.	.	H	α-helix	trans	-58	-46.6	-171.3	22.5	-33.8	0	0	0	112.4	Y868 K869 K874 Y875 I876	Y868-P872 WeakPolarHBondContact O-CA 3.35Å; K869-P872 WeakPolarHBondContact O-CD 3.4Å; P872-K874 PolarHBondContact O-N 2.99Å; P872-K874 VanDerWaalsContact O-N 3.08Å; P872-Y875 PolarHBondContact O-N 2.89Å; P872-I876 HydrophobicContact CB-CD1 3.53Å; P872-I876 HydrophobicContact CB-CG1 4.45Å; P872-I876 WeakPolarHBondContact O-CB 3.3Å; P872-I876 WeakPolarHBondContact O-CD1 3Å; P872-I876 VanDerWaalsContact O-CG1 3.25Å; P872-I876 WeakPolarHBondContact O-CG1 3.42Å; P872-I876 PolarHBondContact O-N 3.28Å
873	N	81.6	Confident	87.6	Confident	153 Å²	153	38.9 Å²	38.9	82%	0.818	21%	0.208	S	C	*	.	H	α-helix	trans	-58.6	-24.5	178.9	-68.4	-21.3	0	0	0	114	N871 A877	N871-N873 PolarHBondContact O-N 3.04Å; N873-A877 WeakPolarHBondContact O-CB 3.42Å
874	K	84.3	Confident	87.2	Confident	87 Å²	87	43.6 Å²	43.6	38%	0.378	23%	0.225	S	C	.	.	H	α-helix	trans	-86	-55.1	175	-177.2	174.2	179.6	173.9	0	111.3	E837 N871 P872	E837-K874 VanDerWaalsContact CD-CE 3.43Å; E837-K874 WeakPolarHBondContact OE1-CE 3.34Å; E837-K874 IonicContact OE1-NZ 2.62Å; E837-K874 PolarHBondContact OE1-NZ 2.9Å; E837-K874 WeakPolarHBondContact OE2-CE 3.5Å; E837-K874 IonicContact OE2-NZ 3.2Å; N871-K874 HydrophobicContact CB-CB 4.33Å; N871-K874 PolarHBondContact O-N 3.27Å; P872-K874 PolarHBondContact O-N 2.99Å; P872-K874 VanDerWaalsContact O-N 3.08Å
875	Y	84.9	Confident	86.8	Confident	31 Å²	31	48.9 Å²	48.9	12%	0.122	25%	0.25	C	S	.	.	H	α-helix	trans	-81.9	-23.1	-167.6	-66.2	-72.9	0	0	0	114.2	I803 Y841 R867 N871 P872	I803-Y875 HydrophobicContact CD1-CD1 3.35Å; I803-Y875 HydrophobicContact CD1-CE1 3.71Å; I803-Y875 HydrophobicContact CD1-CG 4.1Å; Y841-Y875 HydrophobicContact CE1-CD1 4.45Å; Y841-Y875 WeakPolarHBondContact OH-CD1 3.38Å; R867-Y875 HydrophobicContact CB-CD2 3.92Å; R867-Y875 HydrophobicContact CB-CE2 3.76Å; R867-Y875 HydrophobicContact CB-CG 4.41Å; R867-Y875 HydrophobicContact CG-CE2 4.32Å; R867-Y875 VanDerWaalsContact O-CD2 3.25Å; R867-Y875 WeakPolarHBondContact O-CD2 3.49Å; N871-Y875 HydrophobicContact CB-CD2 3.62Å; N871-Y875 HydrophobicContact CB-CE2 3.61Å; N871-Y875 WeakPolarHBondContact O-CD2 3.38Å; N871-Y875 PolarHBondContact O-N 3.32Å; N871-Y875 VanDerWaalsContact O-N 3.09Å; P872-Y875 PolarHBondContact O-N 2.89Å
876	I	87.4	Confident	86.6	Confident	28 Å²	28	50.2 Å²	50.2	14%	0.144	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-28.7	174.7	-58.5	166.5	0	0	0	111.5	P872 G878 L879 R884 V887 H889	P872-I876 HydrophobicContact CB-CD1 3.53Å; P872-I876 HydrophobicContact CB-CG1 4.45Å; P872-I876 WeakPolarHBondContact O-CB 3.3Å; P872-I876 WeakPolarHBondContact O-CD1 3Å; P872-I876 VanDerWaalsContact O-CG1 3.25Å; P872-I876 WeakPolarHBondContact O-CG1 3.42Å; P872-I876 PolarHBondContact O-N 3.28Å; I876-G878 PolarHBondContact O-N 2.77Å; I876-L879 HydrophobicContact CG2-CD1 4.42Å; I876-L879 WeakPolarHBondContact O-CB 3.2Å; I876-L879 PolarHBondContact O-N 2.77Å; I876-R884 HydrophobicContact CG2-CB 3.76Å; I876-V887 HydrophobicContact CD1-CG1 4.2Å; I876-V887 HydrophobicContact CG1-CG1 4.44Å; I876-V887 HydrophobicContact CG2-CG2 4.31Å; I876-H889 VanDerWaalsContact CD1-CE1 3.46Å; I876-H889 WeakPolarHBondContact CD1-CE1 3.31Å; I876-H889 WeakPolarHBondContact CD1-NE2 3.49Å
877	A	86.3	Confident	86.6	Confident	66 Å²	66	51 Å²	51	55%	0.545	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-26.2	-178.7	0	0	0	0	0	113.2	N873	N873-A877 WeakPolarHBondContact O-CB 3.42Å
878	G	85.2	Confident	86.6	Confident	22 Å²	22	53.7 Å²	53.7	23%	0.227	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-14	173.1	0	0	0	0	0	115	Y841 N845 I876	Y841-G878 WeakPolarHBondContact CB-O 3.38Å; N845-G878 PolarHBondContact ND2-O 3.4Å; I876-G878 PolarHBondContact O-N 2.77Å
879	L	88.6	Confident	86.6	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.01	29%	0.294	C	S	.	.	S	Bend	trans	-74.4	145.4	176.8	-59.7	176	0	0	0	110.8	L844 N845 L848 L863 I876 V883 R884 V887	L844-L879 HydrophobicContact CD2-CD2 3.58Å; L844-L879 HydrophobicContact CG-CD2 4.4Å; N845-L879 WeakPolarHBondContact OD1-CA 3.49Å; L848-L879 HydrophobicContact CD1-CD2 3.97Å; L863-L879 HydrophobicContact CD1-CD1 3.72Å; I876-L879 HydrophobicContact CG2-CD1 4.42Å; I876-L879 WeakPolarHBondContact O-CB 3.2Å; I876-L879 PolarHBondContact O-N 2.77Å; L879-V883 HydrophobicContact CB-CB 4.39Å; L879-V883 HydrophobicContact CB-CG1 4.43Å; L879-V883 HydrophobicContact CD1-CG1 4.2Å; L879-R884 HydrophobicContact CB-CB 4.15Å; L879-V887 HydrophobicContact CD1-CG2 3.92Å
880	S	85.7	Confident	86.7	Confident	7 Å²	7	54.7 Å²	54.7	5%	0.049	28%	0.282	C	S	.	.			trans	-50.9	142.2	175.6	-67.9	0	0	0	0	111.5	N845 W882 V883 R884	N845-S880 VanDerWaalsContact CG-OG 3.31Å; N845-S880 PolarHBondContact OD1-N 2.84Å; N845-S880 PolarHBondContact OD1-OG 2.85Å; S880-W882 PolarHBondContact O-N 2.9Å; S880-V883 PolarHBondContact O-N 3.48Å; S880-R884 PolarHBondContact O-N 3.11Å
881	K	84.6	Confident	86.4	Confident	49 Å²	49	56 Å²	56	21%	0.213	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-30.6	-173.6	172.4	174.2	167.2	-169.2	0	115.1	E655 N657 Q885	E655-K881 HydrophobicContact CG-CD 4.12Å; E655-K881 WeakPolarHBondContact OE1-CB 3.35Å; E655-K881 WeakPolarHBondContact OE1-CD 3.3Å; E655-K881 WeakPolarHBondContact OE2-CD 3.38Å; E655-K881 WeakPolarHBondContact OE2-CE 3.15Å; E655-K881 IonicContact OE2-NZ 2.67Å; E655-K881 PolarHBondContact OE2-NZ 3.23Å; N657-K881 WeakPolarHBondContact OD1-CE 3.19Å; N657-K881 PolarHBondContact OD1-NZ 3.37Å; K881-Q885 WeakPolarHBondContact O-CG 3.35Å
882	W	84.5	Confident	86.6	Confident	28 Å²	28	54.9 Å²	54.9	11%	0.106	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-37.7	178	71	-91.6	0	0	0	113.1	H658 I660 V665 L861 S880	H658-W882 HydrophobicContact CB-CB 3.78Å; H658-W882 HydrophobicContact CB-CG 4.25Å; H658-W882 AromaticContact CD2-CD1 3.7Å; H658-W882 AromaticContact CD2-CD2 3.45Å; H658-W882 VanDerWaalsContact CD2-CD2 3.45Å; H658-W882 AromaticContact CD2-CE2 3.7Å; H658-W882 AromaticContact CD2-CE3 3.98Å; H658-W882 AromaticContact CD2-CG 3.45Å; H658-W882 VanDerWaalsContact CD2-CG 3.45Å; H658-W882 AromaticContact CD2-NE1 3.84Å; H658-W882 AromaticContact NE2-CE2 3.98Å; I660-W882 HydrophobicContact CD1-CE3 3.92Å; I660-W882 HydrophobicContact CD1-CZ3 3.95Å; V665-W882 HydrophobicContact CG1-CZ3 4.3Å; L861-W882 HydrophobicContact CD1-CH2 3.91Å; L861-W882 HydrophobicContact CD1-CZ3 4.17Å; S880-W882 PolarHBondContact O-N 2.9Å
883	V	89	Confident	87.2	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-49.9	175.6	-176.3	0	0	0	0	110.1	V667 L848 L861 L879 S880 Q885 L886 V887	V667-V883 HydrophobicContact CG1-CG1 3.78Å; V667-V883 HydrophobicContact CG2-CG1 4.43Å; L848-V883 HydrophobicContact CD1-CG1 4.45Å; L861-V883 HydrophobicContact CD1-CG1 4.14Å; L861-V883 HydrophobicContact CD1-CG2 4.12Å; L879-V883 HydrophobicContact CB-CB 4.39Å; L879-V883 HydrophobicContact CB-CG1 4.43Å; L879-V883 HydrophobicContact CD1-CG1 4.2Å; S880-V883 PolarHBondContact O-N 3.48Å; V883-Q885 PolarHBondContact O-N 3.06Å; V883-L886 PolarHBondContact O-N 2.83Å; V883-V887 HydrophobicContact CG1-CG2 4.46Å; V883-V887 PolarHBondContact O-N 3.23Å
884	R	87.9	Confident	87.8	Confident	98 Å²	98	49.7 Å²	49.7	37%	0.37	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-16.6	-172.4	80.6	-175.7	-178.3	-140.7	-3.6	115	I876 L879 S880	I876-R884 HydrophobicContact CG2-CB 3.76Å; L879-R884 HydrophobicContact CB-CB 4.15Å; S880-R884 PolarHBondContact O-N 3.11Å
885	Q	86.4	Confident	88.2	Confident	113 Å²	113	49.8 Å²	49.8	53%	0.528	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-1.3	175.6	-70.4	-173	9.9	0	0	114.2	K881 V883	K881-Q885 WeakPolarHBondContact O-CG 3.35Å; V883-Q885 PolarHBondContact O-N 3.06Å
886	L	90.4	Very high	88.6	Confident	27 Å²	27	48.3 Å²	48.3	14%	0.141	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.8	-12.2	-178.4	-60.1	177.4	0	0	0	112.9	K662 V665 V667 V883 Q888	K662-L886 HydrophobicContact CB-CD2 3.74Å; K662-L886 HydrophobicContact CD-CD2 3.8Å; K662-L886 HydrophobicContact CG-CD2 3.77Å; V665-L886 HydrophobicContact CB-CD1 4.2Å; V665-L886 HydrophobicContact CG1-CD1 4.42Å; V667-L886 HydrophobicContact CB-CB 4.06Å; V667-L886 HydrophobicContact CG2-CB 3.61Å; V667-L886 HydrophobicContact CG2-CD1 4.25Å; V883-L886 PolarHBondContact O-N 2.83Å; L886-Q888 PolarHBondContact O-N 2.93Å
887	V	92.5	Very high	89	Confident	27 Å²	27	47.6 Å²	47.6	16%	0.164	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	122.4	-177.5	175.4	0	0	0	0	111.6	V667 T669 I876 L879 V883	V667-V887 HydrophobicContact CG1-CB 4.4Å; V667-V887 HydrophobicContact CG1-CG2 3.76Å; T669-V887 HydrophobicContact CG2-CG1 3.77Å; I876-V887 HydrophobicContact CD1-CG1 4.2Å; I876-V887 HydrophobicContact CG1-CG1 4.44Å; I876-V887 HydrophobicContact CG2-CG2 4.31Å; L879-V887 HydrophobicContact CD1-CG2 3.92Å; V883-V887 HydrophobicContact CG1-CG2 4.46Å; V883-V887 PolarHBondContact O-N 3.23Å
888	Q	92	Very high	89.4	Confident	95 Å²	95	50.5 Å²	50.5	44%	0.444	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	135.8	170.8	-57.6	-175.7	33.2	0	0	109.8	V667 G668 T669 L886	V667-Q888 PolarHBondContact O-N 3.1Å; G668-Q888 WeakPolarHBondContact CA-O 3.4Å; T669-Q888 PolarHBondContact N-O 3.22Å; L886-Q888 PolarHBondContact O-N 2.93Å
889	H	90.2	Very high	89.9	Confident	80 Å²	80	51 Å²	51	37%	0.37	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	115.4	177	-68.6	-57.6	0	0	0	110.7	T669 Y868 I876	T669-H889 PolarHBondContact OG1-ND1 2.96Å; Y868-H889 PolarHBondContact O-CE1 3.3Å; I876-H889 VanDerWaalsContact CD1-CE1 3.46Å; I876-H889 WeakPolarHBondContact CD1-CE1 3.31Å; I876-H889 WeakPolarHBondContact CD1-NE2 3.49Å
890	H	88	Confident	90.2	Very high	22 Å²	22	51 Å²	51	10%	0.102	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	120.8	176	-58.9	-87.3	0	0	0	109.7	W666 T669 T892 N895 A896	W666-H890 AromaticContact CZ2-NE2 3.55Å; T669-H890 PolarHBondContact O-N 3.18Å; H890-T892 VanDerWaalsContact C-N 3.28Å; H890-T892 PolarHBondContact O-N 3.15Å; H890-N895 PolarHBondContact ND1-O 3.32Å; H890-N895 VanDerWaalsContact ND1-O 3.11Å; H890-A896 HydrophobicContact CB-CB 3.68Å; H890-A896 WeakPolarHBondContact ND1-CA 3.25Å
891	N	79.8	Confident	90.7	Very high	113 Å²	113	54.4 Å²	54.4	60%	0.604	27%	0.273	S	S	*	.	S	Bend	trans	-71.7	-23.4	-177.2	-79.5	-38.7	0	0	0	113.6	K869	K869-N891 PolarHBondContact NZ-O 3.49Å
892	T	88.9	Confident	91.2	Very high	64 Å²	64	55.2 Å²	55.2	39%	0.393	29%	0.288	S	S	.	.	S	Bend	trans	-136.6	154.8	-178	55.6	0	0	0	0	109.7	H890 N895 A896	H890-T892 VanDerWaalsContact C-N 3.28Å; H890-T892 PolarHBondContact O-N 3.15Å; T892-N895 PolarHBondContact O-N 2.88Å; T892-N895 WeakPolarHBondContact OG1-CB 3.47Å; T892-N895 PolarHBondContact OG1-OD1 3.42Å; T892-A896 PolarHBondContact O-N 3.07Å
893	F	93.3	Very high	91.7	Very high	16 Å²	16	55 Å²	55	7%	0.07	29%	0.288	C	S	.	.	H	α-helix	trans	-59.9	-46.8	177.2	-179.1	-106.1	0	0	0	112.7	V670 G673 P674 L698 H701 N895 A896 M897	V670-F893 HydrophobicContact CG1-CD2 4.04Å; G673-F893 WeakPolarHBondContact O-CB 3.19Å; P674-F893 HydrophobicContact CB-CD1 4.03Å; P674-F893 HydrophobicContact CB-CE1 4.19Å; P674-F893 HydrophobicContact CG-CD1 3.83Å; P674-F893 HydrophobicContact CG-CD2 4.44Å; P674-F893 HydrophobicContact CG-CE1 3.68Å; P674-F893 HydrophobicContact CG-CE2 4.34Å; P674-F893 HydrophobicContact CG-CG 4.21Å; P674-F893 HydrophobicContact CG-CZ 3.95Å; L698-F893 HydrophobicContact CB-CE2 4.2Å; L698-F893 HydrophobicContact CD1-CD2 4.24Å; L698-F893 HydrophobicContact CD1-CE2 3.96Å; L698-F893 HydrophobicContact CG-CE2 3.8Å; H701-F893 HydrophobicContact CB-CE1 4.04Å; H701-F893 HydrophobicContact CB-CZ 3.68Å; H701-F893 AromaticContact CG-CE1 3.9Å; F893-N895 VanDerWaalsContact C-N 3.3Å; F893-N895 PolarHBondContact O-N 3.5Å; F893-A896 WeakPolarHBondContact O-CA 3.38Å; F893-A896 VanDerWaalsContact O-CB 3.31Å; F893-A896 WeakPolarHBondContact O-CB 3.21Å; F893-A896 PolarHBondContact O-N 3.36Å; F893-M897 HydrophobicContact CD1-CG 4.14Å; F893-M897 HydrophobicContact CD2-CG 4.41Å; F893-M897 HydrophobicContact CE1-CG 3.47Å; F893-M897 VanDerWaalsContact CE1-CG 3.47Å; F893-M897 HydrophobicContact CE1-SD 4.38Å; F893-M897 HydrophobicContact CE2-CE 3.92Å; F893-M897 HydrophobicContact CE2-CG 3.77Å; F893-M897 HydrophobicContact CE2-SD 3.92Å; F893-M897 HydrophobicContact CZ-CE 4.22Å; F893-M897 HydrophobicContact CZ-CG 3.25Å; F893-M897 HydrophobicContact CZ-SD 3.58Å; F893-M897 VanDerWaalsContact CZ-SD 3.58Å; F893-M897 PolarHBondContact O-N 2.99Å; F893-M897 VanDerWaalsContact O-N 3.07Å
894	S	93.6	Very high	91.8	Very high	68 Å²	68	55.8 Å²	55.8	48%	0.476	29%	0.293	S	S	.	.	H	α-helix	trans	-58.3	-39.9	-178	-39.6	0	0	0	0	112.7	A896 M897 Q898	S894-A896 VanDerWaalsContact C-N 3.28Å; S894-A896 PolarHBondContact O-N 3.05Å; S894-M897 PolarHBondContact O-N 3.15Å; S894-Q898 WeakPolarHBondContact O-CB 3.5Å; S894-Q898 VanDerWaalsContact O-CG 3.31Å; S894-Q898 WeakPolarHBondContact O-CG 3.42Å; S894-Q898 PolarHBondContact O-N 2.98Å
895	N	93.3	Very high	92	Very high	89 Å²	89	57.2 Å²	57.2	48%	0.476	30%	0.302	S	S	.	.	H	α-helix	trans	-71.4	-23.5	178.5	-66	35.4	0	0	0	112.4	H890 T892 F893 S899	H890-N895 PolarHBondContact ND1-O 3.32Å; H890-N895 VanDerWaalsContact ND1-O 3.11Å; T892-N895 PolarHBondContact O-N 2.88Å; T892-N895 WeakPolarHBondContact OG1-CB 3.47Å; T892-N895 PolarHBondContact OG1-OD1 3.42Å; F893-N895 VanDerWaalsContact C-N 3.3Å; F893-N895 PolarHBondContact O-N 3.5Å; N895-S899 WeakPolarHBondContact O-CB 2.96Å
896	A	93.8	Very high	92.1	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-72.7	-49.5	170.8	0	0	0	0	0	110.5	V670 H890 T892 F893 S894 S899 L900	V670-A896 HydrophobicContact CG2-CB 3.88Å; H890-A896 HydrophobicContact CB-CB 3.68Å; H890-A896 WeakPolarHBondContact ND1-CA 3.25Å; T892-A896 PolarHBondContact O-N 3.07Å; F893-A896 WeakPolarHBondContact O-CA 3.38Å; F893-A896 VanDerWaalsContact O-CB 3.31Å; F893-A896 WeakPolarHBondContact O-CB 3.21Å; F893-A896 PolarHBondContact O-N 3.36Å; S894-A896 VanDerWaalsContact C-N 3.28Å; S894-A896 PolarHBondContact O-N 3.05Å; A896-S899 PolarHBondContact O-N 2.76Å; A896-L900 WeakPolarHBondContact O-CB 3.37Å; A896-L900 PolarHBondContact O-N 3.39Å
897	M	95.1	Very high	91.8	Very high	14 Å²	14	58 Å²	58	7%	0.069	31%	0.313	C	S	.	.	H	α-helix	trans	-65.8	-40.5	-178.2	-63.7	-59.4	95.9	0	0	112.7	H701 V702 F893 S894 S899 L900 E901	H701-M897 HydrophobicContact CB-SD 4.34Å; V702-M897 HydrophobicContact CG2-CE 4.09Å; V702-M897 HydrophobicContact CG2-SD 4.05Å; F893-M897 HydrophobicContact CD1-CG 4.14Å; F893-M897 HydrophobicContact CD2-CG 4.41Å; F893-M897 HydrophobicContact CE1-CG 3.47Å; F893-M897 VanDerWaalsContact CE1-CG 3.47Å; F893-M897 HydrophobicContact CE1-SD 4.38Å; F893-M897 HydrophobicContact CE2-CE 3.92Å; F893-M897 HydrophobicContact CE2-CG 3.77Å; F893-M897 HydrophobicContact CE2-SD 3.92Å; F893-M897 HydrophobicContact CZ-CE 4.22Å; F893-M897 HydrophobicContact CZ-CG 3.25Å; F893-M897 HydrophobicContact CZ-SD 3.58Å; F893-M897 VanDerWaalsContact CZ-SD 3.58Å; F893-M897 PolarHBondContact O-N 2.99Å; F893-M897 VanDerWaalsContact O-N 3.07Å; S894-M897 PolarHBondContact O-N 3.15Å; M897-S899 VanDerWaalsContact C-N 3.3Å; M897-S899 PolarHBondContact O-N 3.45Å; M897-L900 HydrophobicContact CE-CD2 3.9Å; M897-L900 PolarHBondContact O-N 2.68Å; M897-L900 HydrophobicContact SD-CD2 4.2Å; M897-E901 VanDerWaalsContact O-CB 3.29Å; M897-E901 WeakPolarHBondContact O-CB 3.48Å; M897-E901 PolarHBondContact O-N 3.26Å
898	Q	94.8	Very high	90.7	Very high	127 Å²	127	60.3 Å²	60.3	59%	0.593	33%	0.33	S	S	*	.	H	α-helix	trans	-61.5	-38	174.5	-73.1	171.8	-3.6	0	0	112.6	S894 A902	S894-Q898 WeakPolarHBondContact O-CB 3.5Å; S894-Q898 VanDerWaalsContact O-CG 3.31Å; S894-Q898 WeakPolarHBondContact O-CG 3.42Å; S894-Q898 PolarHBondContact O-N 2.98Å; Q898-A902 WeakPolarHBondContact O-CB 3.47Å; Q898-A902 PolarHBondContact O-N 3.3Å; Q898-A902 VanDerWaalsContact O-N 3.1Å
899	S	95.7	Very high	88.8	Confident	33 Å²	33	59 Å²	59	23%	0.231	34%	0.342	C	S	.	.	H	α-helix	trans	-69.3	-40.7	175.9	-178	0	0	0	0	112	W666 N895 A896 M897 F903	W666-S899 PolarHBondContact NE1-OG 2.83Å; N895-S899 WeakPolarHBondContact O-CB 2.96Å; A896-S899 PolarHBondContact O-N 2.76Å; M897-S899 VanDerWaalsContact C-N 3.3Å; M897-S899 PolarHBondContact O-N 3.45Å; S899-F903 WeakPolarHBondContact O-CB 3.38Å; S899-F903 PolarHBondContact O-N 2.87Å
900	L	95.4	Very high	86.2	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-65.2	-43.9	176.4	-175.6	65.5	0	0	0	111.8	W666 V705 M706 A860 I862 A896 M897 F903 T904	W666-L900 HydrophobicContact CD2-CD1 3.86Å; W666-L900 HydrophobicContact CE3-CD1 3.88Å; W666-L900 HydrophobicContact CG-CD1 4.28Å; W666-L900 HydrophobicContact CH2-CB 4.5Å; W666-L900 HydrophobicContact CZ2-CB 4.08Å; W666-L900 HydrophobicContact CZ3-CD1 4.24Å; V705-L900 HydrophobicContact CB-CD2 4.48Å; V705-L900 HydrophobicContact CG1-CB 4.31Å; V705-L900 HydrophobicContact CG1-CD2 4Å; V705-L900 HydrophobicContact CG1-CG 3.87Å; M706-L900 HydrophobicContact CG-CD2 4.15Å; M706-L900 HydrophobicContact SD-CD1 3.65Å; M706-L900 HydrophobicContact SD-CD2 4.06Å; M706-L900 HydrophobicContact SD-CG 3.82Å; A860-L900 HydrophobicContact CB-CD1 3.41Å; A860-L900 VanDerWaalsContact CB-CD1 3.41Å; I862-L900 HydrophobicContact CD1-CD2 4Å; A896-L900 WeakPolarHBondContact O-CB 3.37Å; A896-L900 PolarHBondContact O-N 3.39Å; M897-L900 HydrophobicContact CE-CD2 3.9Å; M897-L900 PolarHBondContact O-N 2.68Å; M897-L900 HydrophobicContact SD-CD2 4.2Å; L900-F903 WeakPolarHBondContact O-CB 3.47Å; L900-F903 PolarHBondContact O-N 3.46Å; L900-T904 PolarHBondContact O-N 2.95Å; L900-T904 PolarHBondContact O-OG1 3.17Å
901	E	95.3	Very high	83.8	Confident	80 Å²	80	68.3 Å²	68.3	37%	0.374	40%	0.396	S	S	.	.	H	α-helix	trans	-64.2	-43.7	178.1	-168.8	-164.1	150.7	0	0	111.6	V705 M897 F903 T904 K905	V705-E901 HydrophobicContact CG1-CB 3.91Å; V705-E901 HydrophobicContact CG1-CG 4.42Å; M897-E901 VanDerWaalsContact O-CB 3.29Å; M897-E901 WeakPolarHBondContact O-CB 3.48Å; M897-E901 PolarHBondContact O-N 3.26Å; E901-F903 VanDerWaalsContact C-N 3.3Å; E901-F903 PolarHBondContact O-N 2.9Å; E901-T904 PolarHBondContact O-N 3.3Å; E901-K905 HydrophobicContact CG-CD 4.28Å; E901-K905 WeakPolarHBondContact O-CB 3.32Å; E901-K905 WeakPolarHBondContact O-CG 3.31Å; E901-K905 PolarHBondContact O-N 3.29Å; E901-K905 WeakPolarHBondContact OE1-CE 3.23Å; E901-K905 IonicContact OE1-NZ 3.4Å; E901-K905 PolarHBondContact OE1-NZ 2.71Å
902	A	94.8	Very high	81.5	Confident	66 Å²	66	71.1 Å²	71.1	55%	0.545	41%	0.406	S	S	.	.	H	α-helix	trans	-62.9	-36.1	174.3	0	0	0	0	0	112.4	Q898 S906	Q898-A902 WeakPolarHBondContact O-CB 3.47Å; Q898-A902 PolarHBondContact O-N 3.3Å; Q898-A902 VanDerWaalsContact O-N 3.1Å; A902-S906 PolarHBondContact O-N 2.91Å
903	F	94.8	Very high	78.8	Confident	24 Å²	24	73.8 Å²	73.8	11%	0.105	42%	0.424	C	S	.	.	H	α-helix	trans	-65.4	-52.6	172.7	168.5	-98.4	0	0	0	111.6	S663 W666 W858 G859 A860 S899 L900 E901 K905 S906 F907	S663-F903 WeakPolarHBondContact O-CE2 3.49Å; W666-F903 HydrophobicContact CB-CB 4.37Å; W666-F903 HydrophobicContact CB-CD1 3.66Å; W666-F903 HydrophobicContact CB-CD2 3.84Å; W666-F903 HydrophobicContact CB-CE1 3.77Å; W666-F903 HydrophobicContact CB-CE2 3.93Å; W666-F903 HydrophobicContact CB-CG 3.69Å; W666-F903 HydrophobicContact CB-CZ 3.9Å; W666-F903 HydrophobicContact CG-CB 4.36Å; W666-F903 HydrophobicContact CG-CD1 4.33Å; W666-F903 HydrophobicContact CG-CG 4.2Å; W858-F903 AromaticContact CE3-CE1 3.75Å; W858-F903 HydrophobicContact CE3-CE1 3.75Å; W858-F903 AromaticContact CE3-CZ 3.93Å; W858-F903 HydrophobicContact CE3-CZ 3.93Å; W858-F903 AromaticContact CZ3-CE1 3.91Å; W858-F903 HydrophobicContact CZ3-CE1 3.91Å; G859-F903 WeakPolarHBondContact O-CZ 3.49Å; A860-F903 HydrophobicContact CB-CE1 4.35Å; S899-F903 WeakPolarHBondContact O-CB 3.38Å; S899-F903 PolarHBondContact O-N 2.87Å; L900-F903 WeakPolarHBondContact O-CB 3.47Å; L900-F903 PolarHBondContact O-N 3.46Å; E901-F903 VanDerWaalsContact C-N 3.3Å; E901-F903 PolarHBondContact O-N 2.9Å; F903-K905 VanDerWaalsContact C-N 3.29Å; F903-K905 PolarHBondContact O-N 3.27Å; F903-S906 WeakPolarHBondContact O-CB 3.48Å; F903-S906 PolarHBondContact O-N 3.42Å; F903-S906 PolarHBondContact O-OG 2.9Å; F903-F907 HydrophobicContact CD2-CE2 4.07Å; F903-F907 HydrophobicContact CE2-CD2 4.3Å; F903-F907 AromaticContact CE2-CE2 3.61Å; F903-F907 HydrophobicContact CE2-CE2 3.61Å; F903-F907 HydrophobicContact CZ-CD2 4.35Å; F903-F907 AromaticContact CZ-CE2 3.97Å; F903-F907 HydrophobicContact CZ-CE2 3.97Å; F903-F907 WeakPolarHBondContact O-CD2 3.47Å
904	T	92.3	Very high	75.8	Confident	16 Å²	16	84.2 Å²	84.2	10%	0.098	46%	0.463	C	S	.	.	H	α-helix	trans	-58.3	-41	178.9	-58.8	0	0	0	0	111.9	M706 W858 L900 E901 S906 F907 S908	M706-T904 PolarHBondContact SD-OG1 2.68Å; W858-T904 HydrophobicContact CH2-CG2 4.36Å; L900-T904 PolarHBondContact O-N 2.95Å; L900-T904 PolarHBondContact O-OG1 3.17Å; E901-T904 PolarHBondContact O-N 3.3Å; T904-S906 PolarHBondContact O-N 2.92Å; T904-F907 PolarHBondContact O-N 3.31Å; T904-S908 PolarHBondContact O-N 3.19Å
905	K	91.6	Very high	72.8	Confident	128 Å²	128	92.1 Å²	92.1	56%	0.557	48%	0.482	S	S	*	.	H	α-helix	trans	-60.3	-27.1	175.9	-79	173.7	169.6	174.4	0	114	E901 F903 F907 S908	E901-K905 HydrophobicContact CG-CD 4.28Å; E901-K905 WeakPolarHBondContact O-CB 3.32Å; E901-K905 WeakPolarHBondContact O-CG 3.31Å; E901-K905 PolarHBondContact O-N 3.29Å; E901-K905 WeakPolarHBondContact OE1-CE 3.23Å; E901-K905 IonicContact OE1-NZ 3.4Å; E901-K905 PolarHBondContact OE1-NZ 2.71Å; F903-K905 VanDerWaalsContact C-N 3.29Å; F903-K905 PolarHBondContact O-N 3.27Å; K905-F907 PolarHBondContact O-N 3.44Å; K905-S908 WeakPolarHBondContact CA-OG 3.38Å; K905-S908 PolarHBondContact O-OG 3.41Å
906	S	89.3	Confident	69.8	Low	85 Å²	85	94.4 Å²	94.4	59%	0.594	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-12.6	174.5	74.9	0	0	0	0	114.2	A902 F903 T904	A902-S906 PolarHBondContact O-N 2.91Å; F903-S906 WeakPolarHBondContact O-CB 3.48Å; F903-S906 PolarHBondContact O-N 3.42Å; F903-S906 PolarHBondContact O-OG 2.9Å; T904-S906 PolarHBondContact O-N 2.92Å
907	F	84.1	Confident	66.8	Low	71 Å²	71	99.7 Å²	99.7	31%	0.311	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-14.7	176.6	-67.5	-80.8	0	0	0	113.7	S663 W858 F903 T904 K905 G909	S663-F907 WeakPolarHBondContact O-CZ 3.25Å; W858-F907 HydrophobicContact CB-CD1 4.27Å; W858-F907 HydrophobicContact CB-CE1 4.03Å; W858-F907 HydrophobicContact CB-CZ 4.19Å; W858-F907 AromaticContact CD1-CD1 3.96Å; W858-F907 HydrophobicContact CD2-CB 3.9Å; W858-F907 AromaticContact CD2-CD1 3.99Å; W858-F907 HydrophobicContact CD2-CD1 3.99Å; W858-F907 AromaticContact CD2-CD2 3.98Å; W858-F907 HydrophobicContact CD2-CD2 3.98Å; W858-F907 AromaticContact CD2-CG 3.67Å; W858-F907 HydrophobicContact CD2-CG 3.67Å; W858-F907 AromaticContact CE2-CG 3.93Å; W858-F907 HydrophobicContact CE3-CB 4.12Å; W858-F907 AromaticContact CE3-CD2 3.75Å; W858-F907 HydrophobicContact CE3-CD2 3.75Å; W858-F907 HydrophobicContact CE3-CE2 4.37Å; W858-F907 AromaticContact CE3-CG 3.89Å; W858-F907 HydrophobicContact CE3-CG 3.89Å; W858-F907 AromaticContact CG-CD1 3.81Å; W858-F907 HydrophobicContact CG-CD1 3.81Å; W858-F907 HydrophobicContact CG-CD2 4.41Å; W858-F907 HydrophobicContact CG-CE1 4.08Å; W858-F907 HydrophobicContact CG-CG 4Å; W858-F907 HydrophobicContact CH2-CB 3.94Å; W858-F907 HydrophobicContact CZ2-CB 3.69Å; W858-F907 HydrophobicContact CZ2-CG 4.39Å; W858-F907 HydrophobicContact CZ3-CB 4.15Å; W858-F907 HydrophobicContact CZ3-CD2 4.21Å; W858-F907 HydrophobicContact CZ3-CG 4.35Å; F903-F907 HydrophobicContact CD2-CE2 4.07Å; F903-F907 HydrophobicContact CE2-CD2 4.3Å; F903-F907 AromaticContact CE2-CE2 3.61Å; F903-F907 HydrophobicContact CE2-CE2 3.61Å; F903-F907 HydrophobicContact CZ-CD2 4.35Å; F903-F907 AromaticContact CZ-CE2 3.97Å; F903-F907 HydrophobicContact CZ-CE2 3.97Å; F903-F907 WeakPolarHBondContact O-CD2 3.47Å; T904-F907 PolarHBondContact O-N 3.31Å; K905-F907 PolarHBondContact O-N 3.44Å; F907-G909 VanDerWaalsContact C-N 3.27Å; F907-G909 PolarHBondContact O-N 2.8Å
908	S	68.6	Low	63.7	Low	75 Å²	75	104 Å²	104	52%	0.524	57%	0.569	S	S	.	*	S	Bend	trans	-78.6	-0	-175.7	69.5	0	0	0	0	115.6	T904 K905 E910	T904-S908 PolarHBondContact O-N 3.19Å; K905-S908 WeakPolarHBondContact CA-OG 3.38Å; K905-S908 PolarHBondContact O-OG 3.41Å; S908-E910 PolarHBondContact O-N 3.22Å
909	G	53.1	Low	60.6	Low	67 Å²	67	107.5 Å²	107.5	69%	0.691	58%	0.582	S	S	*	*			trans	79.2	12.9	158.2	0	0	0	0	0	118.2	F907	F907-G909 VanDerWaalsContact C-N 3.27Å; F907-G909 PolarHBondContact O-N 2.8Å
910	E	35.3	Very low	57.5	Low	180 Å²	180	112.8 Å²	112.8	84%	0.841	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-66.9	129.4	165.3	-73.2	-152.8	140.4	0	0	110.2	S908	S908-E910 PolarHBondContact O-N 3.22Å
911	P	37.2	Very low	54.2	Low	118 Å²	118	122.6 Å²	122.6	77%	0.766	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-73.3	129.4	174.6	29.8	-32.6	0	0	0	109.8
912	E	31.6	Very low	51.1	Low	173 Å²	173	124.7 Å²	124.7	81%	0.808	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-52.8	134.8	169.7	-84.5	-154.9	145	0	0	110.1	R914	E912-R914 PolarHBondContact O-N 2.68Å
913	P	31.6	Very low	47.8	Very low	119 Å²	119	127.3 Å²	127.3	77%	0.773	69%	0.685	S	S	*	*			trans	-63	106.9	174.2	25.8	-32.9	0	0	0	108.5	R915	P913-R915 PolarHBondContact O-N 3.05Å
914	R	31.1	Very low	44.5	Very low	235 Å²	235	137.4 Å²	137.4	89%	0.887	72%	0.724	S	S	*	*			trans	-48.9	106.4	-174.4	-69.1	-178.5	178.7	178.5	0.4	110.6	E912 T916	E912-R914 PolarHBondContact O-N 2.68Å; R914-T916 PolarHBondContact O-N 3.47Å
915	R	30.7	Very low	41.3	Very low	234 Å²	234	141.6 Å²	141.6	88%	0.883	75%	0.754	S	S	*	*			trans	-63	106.2	170.3	-70.7	-174	177.9	-167.7	0.3	108.3	P913 S917	P913-R915 PolarHBondContact O-N 3.05Å; R915-S917 VanDerWaalsContact C-N 3.3Å; R915-S917 PolarHBondContact O-N 3.01Å
916	T	29.2	Very low	38.2	Very low	137 Å²	137	143.7 Å²	143.7	84%	0.84	77%	0.766	S	S	*	*			trans	-70.7	83.5	179.6	48.1	0	0	0	0	110.5	R914 S918	R914-T916 PolarHBondContact O-N 3.47Å; T916-S918 PolarHBondContact O-N 3.02Å
917	S	31.2	Very low	35.3	Very low	112 Å²	112	147.3 Å²	147.3	78%	0.783	77%	0.774	S	S	*	*			trans	-83.8	90.8	167.4	52.5	0	0	0	0	109.4	R915 F919	R915-S917 VanDerWaalsContact C-N 3.3Å; R915-S917 PolarHBondContact O-N 3.01Å; S917-F919 PolarHBondContact O-N 3.12Å
918	S	30.5	Very low	32.6	Very low	105 Å²	105	149.9 Å²	149.9	73%	0.734	79%	0.79	S	S	*	*			trans	-69.2	114.6	168.9	52	0	0	0	0	110.3	T916	T916-S918 PolarHBondContact O-N 3.02Å
919	F	30.1	Very low	30.6	Very low	199 Å²	199	151.7 Å²	151.7	87%	0.873	80%	0.798	S	S	*	*			trans	-149.2	149.5	158.8	-95.9	-65.5	0	0	0	110.9	S917	S917-F919 PolarHBondContact O-N 3.12Å
920	D	29.3	Very low	29.4	Very low	145 Å²	145	155.1 Å²	155.1	78%	0.775	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-82.6	163.6	-158	-59.6	-84	0	0	0	115.6
921	K	26.8	Very low	28.9	Very low	206 Å²	206	152.2 Å²	152.2	90%	0.896	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-83.3	130.2	169.5	-63	176.5	-179	175.2	0	110.7
922	P	31	Very low	28.6	Very low	124 Å²	124	154 Å²	154	81%	0.805	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-82.6	143.9	149.5	-7.9	26.6	0	0	0	110.1
923	S	24.6	Very low	28.3	Very low	120 Å²	120	152.6 Å²	152.6	84%	0.839	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-87	161.5	172	44	0	0	0	0	112.3
924	Y	25	Very low	28	Very low	236 Å²	236	155.6 Å²	155.6	93%	0.925	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-66.9	140.8	173	-96.4	-106.6	0	0	0	112.6
925	S	24.5	Very low	27.7	Very low	105 Å²	105	149.5 Å²	149.5	73%	0.734	78%	0.78	S	S	*	*			trans	-164	143.9	137.8	45.6	0	0	0	0	114.4
926	Q	28.3	Very low	27.5	Very low	171 Å²	171	145.3 Å²	145.3	80%	0.799	77%	0.77	S	S	*	*			trans	56.2	98.4	147.9	-67.9	172.4	-3.3	0	0	121.9
927	Q	27	Very low	27.5	Very low	162 Å²	162	145.6 Å²	145.6	76%	0.757	76%	0.762	S	S	*	*				57	130.2	107.9	-80.3	-179.2	-27.2	0	0	123
928	N	27	Very low	27.4	Very low	124 Å²	124	146.7 Å²	146.7	66%	0.663	75%	0.754	S	S	*	*			trans	90	105.5	131.5	-67.1	0.4	0	0	0	122.6
929	T	27.2	Very low	27.4	Very low	113 Å²	113	147.8 Å²	147.8	69%	0.693	75%	0.752	S	S	*	*				80.3	126.3	124.2	55	0	0	0	0	124
930	I	27.1	Very low	27.4	Very low	140 Å²	140	144.6 Å²	144.6	72%	0.718	75%	0.749	S	S	*	*				93.4	125.2	126	-79	169.9	0	0	0	121
931	T	26.1	Very low	27.3	Very low	118 Å²	118	142.5 Å²	142.5	72%	0.724	75%	0.751	S	S	*	*			trans	62.8	161.2	158.4	46.8	0	0	0	0	120.2
932	Q	29.6	Very low	27.6	Very low	156 Å²	156	138.5 Å²	138.5	73%	0.729	74%	0.74	S	S	*	*			cis	-169.6	162.5	-38.8	-121.5	-175.8	20.4	0	0	108.8
933	L	25.4	Very low	28.5	Very low	144 Å²	144	138.1 Å²	138.1	75%	0.754	74%	0.737	S	S	*	*			trans	65.1	140.7	165.5	-58.7	153.9	0	0	0	115.4
934	K	25.5	Very low	28.8	Very low	181 Å²	181	137.7 Å²	137.7	79%	0.787	73%	0.725	S	S	*	*			cis	91	144	32.9	-91.3	-161	170.6	-168.4	0	115.6
935	T	25.8	Very low	29.1	Very low	108 Å²	108	134.5 Å²	134.5	66%	0.663	72%	0.716	S	S	*	*			trans	66.8	145.8	161.9	51.6	0	0	0	0	118.2
936	E	26.4	Very low	29.3	Very low	146 Å²	146	132.8 Å²	132.8	68%	0.682	72%	0.715	S	S	*	*			cis	-171.5	159.6	-16	-114.5	164.7	-152.4	0	0	110.7
937	H	29	Very low	29.2	Very low	143 Å²	143	131.1 Å²	131.1	66%	0.662	71%	0.711	S	S	*	*			trans	53.3	160.2	143.9	-65.3	-44.2	0	0	0	122.5
938	H	29.2	Very low	29.2	Very low	135 Å²	135	131.2 Å²	131.2	63%	0.625	71%	0.711	S	S	*	*			cis	-162.4	163.3	-11.9	-125.3	-60.2	0	0	0	112.3
939	N	30.5	Very low	29.1	Very low	127 Å²	127	130.5 Å²	130.5	68%	0.679	72%	0.716	S	S	*	*			trans	71.1	153.7	149.1	-65.7	-14.4	0	0	0	119.5
940	T	30.2	Very low	29.1	Very low	133 Å²	133	129.6 Å²	129.6	82%	0.816	72%	0.72	S	S	*	*			cis	-154.2	170.2	-3.4	6.5	0	0	0	0	107.8
941	A	27.7	Very low	30.4	Very low	100 Å²	100	129.1 Å²	129.1	83%	0.826	73%	0.726	S	S	*	*			cis	-157.3	-175.6	33.4	0	0	0	0	0	113.9
942	D	32.3	Very low	30.7	Very low	123 Å²	123	128 Å²	128	66%	0.658	73%	0.728	S	S	*	*			trans	-101.2	178.4	-177.1	-137.3	-19.5	0	0	0	111.2	L944	D942-L944 PolarHBondContact OD1-N 3.15Å
943	P	50.6	Low	30.5	Very low	116 Å²	116	131 Å²	131	75%	0.753	74%	0.739	S	S	*	*			cis	-137.3	138.2	43.4	36.4	-15.5	0	0	0	118.8
944	L	30.6	Very low	30.7	Very low	111 Å²	111	132.2 Å²	132.2	58%	0.581	74%	0.741	S	S	*	*				30.2	146.8	117.5	-54.4	174.9	0	0	0	120	D942	D942-L944 PolarHBondContact OD1-N 3.15Å
945	K	31.6	Very low	30.8	Very low	169 Å²	169	130.8 Å²	130.8	74%	0.735	74%	0.741	S	S	*	*			cis	-156.1	149.4	11.4	-119.3	151.3	-174.6	165.5	0	107.2	L947	K945-L947 HydrophobicContact CG-CD1 4.08Å
946	G	28.2	Very low	30.7	Very low	69 Å²	69	131.8 Å²	131.8	71%	0.711	75%	0.753	S	S	*	*			cis	106.5	140.6	31	0	0	0	0	0	108.5
947	L	27.1	Very low	30.6	Very low	135 Å²	135	129 Å²	129	71%	0.707	75%	0.754	S	S	*	*			cis	-146.9	176.7	28.1	-88.4	46.9	0	0	0	107.4	K945	K945-L947 HydrophobicContact CG-CD1 4.08Å
948	Q	26.8	Very low	30.3	Very low	165 Å²	165	130.4 Å²	130.4	77%	0.771	76%	0.761	S	S	*	*			cis	-171.9	167.7	-16.9	-102.9	174.5	-43.5	0	0	106.4
949	S	24.8	Very low	30.1	Very low	108 Å²	108	132 Å²	132	76%	0.755	77%	0.769	S	S	*	*			cis	-160.3	151	-10.4	46.8	0	0	0	0	110.7
950	A	27.4	Very low	29.8	Very low	95 Å²	95	134.1 Å²	134.1	79%	0.785	78%	0.779	S	S	*	*			trans	-144.5	-165	166.9	0	0	0	0	0	107
951	P	54.2	Low	29.5	Very low	129 Å²	129	136.8 Å²	136.8	84%	0.838	78%	0.776	S	S	*	*			cis	-131.4	-150.1	-12	41.3	-21.6	0	0	0	111.8
952	A	32.2	Very low	29.4	Very low	94 Å²	94	139.8 Å²	139.8	78%	0.777	77%	0.772	S	S	*	*			trans	-92.4	164.1	-177.5	0	0	0	0	0	115.6
953	K	26.1	Very low	29	Very low	219 Å²	219	140 Å²	140	95%	0.952	77%	0.772	S	S	*	*			trans	-153.9	172.7	154.5	-121.9	175.7	-175.7	178.8	0	112.1
954	Q	27.6	Very low	27.7	Very low	170 Å²	170	143 Å²	143	79%	0.794	77%	0.773	S	S	*	*			trans	-111.6	155.8	-160.9	-96.1	178.9	-45.5	0	0	115.9
955	L	28.8	Very low	27.3	Very low	151 Å²	151	142.8 Å²	142.8	79%	0.791	78%	0.777	S	S	*	*			trans	62.4	116.4	144.9	-70.1	163.9	0	0	0	121.2
956	S	22.9	Very low	26.9	Very low	130 Å²	130	142.2 Å²	142.2	91%	0.909	78%	0.78	S	S	*	*				-168.3	-174	119.3	44.5	0	0	0	0	110.3
957	A	24.6	Very low	26.7	Very low	86 Å²	86	143.9 Å²	143.9	71%	0.711	78%	0.781	S	S	*	*			trans	-118.5	176.3	-145.7	0	0	0	0	0	117.3
958	Q	23.5	Very low	27.9	Very low	173 Å²	173	143 Å²	143	81%	0.808	78%	0.783	S	S	*	*			trans	83.4	117.7	152.2	-73.8	170	-10.5	0	0	122.3
959	H	25.2	Very low	27.7	Very low	169 Å²	169	142.3 Å²	142.3	78%	0.782	79%	0.79	S	S	*	*			trans	59.6	123.2	134.5	-73	12.8	0	0	0	122.1
960	L	23.4	Very low	27.9	Very low	172 Å²	172	144.2 Å²	144.2	90%	0.901	79%	0.792	S	S	*	*				-166.5	179.9	118.1	-103.5	163.3	0	0	0	111.7
961	Y	24.3	Very low	27.9	Very low	189 Å²	189	145.9 Å²	145.9	74%	0.741	79%	0.793	S	S	*	*			trans	-112	153.6	-161	-80.4	-99.1	0	0	0	115.8
962	H	25.6	Very low	26.5	Very low	163 Å²	163	146.4 Å²	146.4	76%	0.755	79%	0.788	S	S	*	*			trans	63.7	166.5	147.8	-77.4	-49.2	0	0	0	118.2
963	I	23.7	Very low	26.3	Very low	126 Å²	126	148.6 Å²	148.6	65%	0.646	79%	0.786	S	S	*	*			cis	-153.8	141	2.6	-125.1	154.8	0	0	0	109.9
964	F	23.4	Very low	26.4	Very low	180 Å²	180	146.4 Å²	146.4	79%	0.789	78%	0.777	S	S	*	*			trans	58	173.8	163.2	-72.3	-123.3	0	0	0	117.1
965	T	21.7	Very low	26.2	Very low	106 Å²	106	146.3 Å²	146.3	65%	0.65	78%	0.778	S	S	*	*			cis	-157.3	151	7.9	-10.2	0	0	0	0	111.6
966	I	22.8	Very low	26.5	Very low	157 Å²	157	143.8 Å²	143.8	81%	0.805	77%	0.771	S	S	*	*			trans	64.9	145.9	143.8	-70.1	170.3	0	0	0	121.9
967	S	23.8	Very low	26.7	Very low	105 Å²	105	144.4 Å²	144.4	73%	0.734	76%	0.763	S	S	*	*			trans	-113.8	-165.6	172.4	-28.5	0	0	0	0	110.5
968	P	52.6	Low	26.7	Very low	115 Å²	115	148.2 Å²	148.2	75%	0.747	76%	0.764	S	S	*	*			cis	-129.3	-171.5	-29.1	41.2	-25.8	0	0	0	111.9
969	T	24	Very low	26.7	Very low	151 Å²	151	148.3 Å²	148.3	93%	0.926	76%	0.761	S	S	*	*			trans	-174.2	179.6	143.9	14.8	0	0	0	0	113.8
970	N	28.1	Very low	26.7	Very low	149 Å²	149	144.6 Å²	144.6	80%	0.797	76%	0.76	S	S	*	*			trans	-157.1	137.7	-159.2	169.6	23	0	0	0	113.6
971	T	26.5	Very low	26.7	Very low	129 Å²	129	145.7 Å²	145.7	79%	0.791	76%	0.757	S	S	*	*			trans	-172.1	160.7	168	39	0	0	0	0	112.9
972	N	26.8	Very low	27.5	Very low	140 Å²	140	142.5 Å²	142.5	75%	0.749	76%	0.76	S	S	*	*			cis	-179.1	178.1	-30.2	-153.9	-26.6	0	0	0	110.1
973	L	26.9	Very low	27.4	Very low	140 Å²	140	139 Å²	139	73%	0.733	76%	0.759	S	S	*	*			trans	77.6	154.7	161.4	-57.6	163.1	0	0	0	120.1
974	K	27.8	Very low	27.5	Very low	174 Å²	174	140.4 Å²	140.4	76%	0.757	77%	0.768	S	S	*	*			cis	-175.5	137.9	-35.8	-126.1	-168.3	-165.1	172.8	0	114.2
975	M	24.6	Very low	27.5	Very low	167 Å²	167	137.1 Å²	137.1	82%	0.823	77%	0.766	S	S	*	*			trans	62.5	174.4	144.9	-73.7	-75.8	165.9	0	0	120.1
976	P	35.3	Very low	27.5	Very low	99 Å²	99	136.8 Å²	136.8	64%	0.643	77%	0.768	S	S	*	*			cis	-136	166.7	-0.1	41.6	-24.6	0	0	0	118.9
977	I	25.8	Very low	27.6	Very low	143 Å²	143	136 Å²	136	73%	0.733	77%	0.77	S	S	*	*			trans	68.2	148.8	145.9	-86	170.7	0	0	0	118.1
978	F	25.8	Very low	27.7	Very low	165 Å²	165	142.2 Å²	142.2	72%	0.724	78%	0.778	S	S	*	*			cis	-154.5	-164.4	-15.7	-116.6	-37.3	0	0	0	106.5
979	K	23.1	Very low	27.2	Very low	176 Å²	176	143.1 Å²	143.1	77%	0.765	78%	0.783	S	S	*	*			cis	-161.6	-168.9	-0	-125.9	164.3	-171.3	178.2	0	106.2
980	A	23.8	Very low	27.2	Very low	91 Å²	91	139.6 Å²	139.6	75%	0.752	78%	0.777	S	S	*	*			cis	-143.8	-119	1.3	0	0	0	0	0	111.9
981	K	23.5	Very low	27.2	Very low	194 Å²	194	137.4 Å²	137.4	84%	0.843	78%	0.78	S	S	*	*			trans	-165.1	170.8	-177.3	-108.9	-173	-176.6	-175.7	0	112.5
982	P	41.4	Very low	27.3	Very low	123 Å²	123	138.8 Å²	138.8	80%	0.799	78%	0.781	S	S	*	*			cis	-106.1	-151.8	20.3	34.2	-16.5	0	0	0	113.4
983	A	23.7	Very low	27.3	Very low	88 Å²	88	140.2 Å²	140.2	73%	0.727	78%	0.784	S	S	*	*			cis	-153.8	-155.3	9.2	0	0	0	0	0	113.8
984	N	26.1	Very low	27.2	Very low	156 Å²	156	140.9 Å²	140.9	83%	0.834	79%	0.787	S	S	*	*			trans	-116.3	-162.3	-177.2	-51.2	1.5	0	0	0	111
985	C	22.5	Very low	27.1	Very low	111 Å²	111	138.1 Å²	138.1	75%	0.75	79%	0.789	S	S	*	*			cis	-166.7	177.3	11.3	-115.8	0	0	0	0	107.1
986	S	22.6	Very low	27.3	Very low	100 Å²	100	135.3 Å²	135.3	70%	0.699	79%	0.786	S	S	*	*			cis	-175.1	-175.6	-22.6	52.2	0	0	0	0	110.7
987	V	25.4	Very low	28	Very low	140 Å²	140	136.1 Å²	136.1	85%	0.848	79%	0.791	S	S	*	*			trans	82.3	145.5	166.6	-169.6	0	0	0	0	120.2
988	R	25.7	Very low	29	Very low	236 Å²	236	134.2 Å²	134.2	89%	0.891	79%	0.788	S	S	*	*			trans	-154.8	165.8	176.8	-103.6	-173.1	176.5	-163.7	-0.1	107.3
989	P	41.2	Very low	29.2	Very low	133 Å²	133	132.3 Å²	132.3	86%	0.864	79%	0.79	S	S	*	*			cis	-157	-174.8	49.8	42.5	-19	0	0	0	119.6
990	G	24.8	Very low	29.4	Very low	78 Å²	78	130.6 Å²	130.6	80%	0.804	79%	0.789	S	S	*	*			trans	151.7	-178.4	170	0	0	0	0	0	113.5
991	A	28.4	Very low	29.7	Very low	103 Å²	103	132 Å²	132	85%	0.851	78%	0.783	S	S	*	*			cis	176.6	156.9	-33.9	0	0	0	0	0	108.7
992	L	27.3	Very low	29.8	Very low	157 Å²	157	130.7 Å²	130.7	82%	0.822	78%	0.78	S	S	*	*			cis	-144.9	-106	-12.9	-139.3	-179	0	0	0	113.9
993	Q	26.6	Very low	29.3	Very low	170 Å²	170	130.7 Å²	130.7	79%	0.794	77%	0.772	S	S	*	*			trans	-147.8	164	-171.1	-75.6	177.7	-17.4	0	0	113.6
994	I	26.4	Very low	29.3	Very low	155 Å²	155	134.8 Å²	134.8	80%	0.795	78%	0.781	S	S	*	*				-173.4	143.4	84.5	-86.3	170	0	0	0	114.6
995	S	24.5	Very low	29.4	Very low	116 Å²	116	134 Å²	134	81%	0.811	77%	0.772	S	S	*	*			trans	23.1	155.8	159.1	71.6	0	0	0	0	129.2
996	S	29.4	Very low	29.5	Very low	108 Å²	108	136 Å²	136	76%	0.755	78%	0.781	S	S	*	*			trans	-137.3	-163.7	166.5	62.5	0	0	0	0	110.1
997	P	50.3	Low	29.7	Very low	115 Å²	115	138.6 Å²	138.6	75%	0.747	78%	0.779	S	S	*	*			cis	-118.6	-103.6	-12.4	19.8	8.4	0	0	0	113.1
998	P	47.3	Very low	29.7	Very low	103 Å²	103	139.9 Å²	139.9	67%	0.669	78%	0.776	S	S	*	*			cis	-142.7	151.3	-36.6	40.1	-20.2	0	0	0	120.5
999	V	29	Very low	29.7	Very low	126 Å²	126	134.9 Å²	134.9	76%	0.764	77%	0.772	S	S	*	*			trans	79.8	139.5	132	169	0	0	0	0	126.4
1000	N	27.6	Very low	29	Very low	140 Å²	140	136 Å²	136	75%	0.749	77%	0.77	S	S	*	*			trans	73.5	159.8	156.8	-81.8	-1.1	0	0	0	122.9
1001	L	29.2	Very low	29.1	Very low	121 Å²	121	136.3 Å²	136.3	63%	0.634	77%	0.774	S	S	*	*			cis	-172	141.7	-28.9	-167.6	69.7	0	0	0	108.5	I1003	L1001-I1003 HydrophobicContact CD1-CD1 4.49Å; L1001-I1003 HydrophobicContact CD2-CD1 4.27Å; L1001-I1003 HydrophobicContact CG-CD1 4.32Å
1002	E	26.4	Very low	29	Very low	166 Å²	166	138.2 Å²	138.2	78%	0.776	77%	0.77	S	S	*	*				165.5	136.4	104.7	-84.8	-166.7	153	0	0	107.5
1003	I	30.2	Very low	29	Very low	123 Å²	123	136 Å²	136	63%	0.631	77%	0.766	S	S	*	*				82.9	113.5	59.1	-63.9	170.4	0	0	0	114.9	L1001	L1001-I1003 HydrophobicContact CD1-CD1 4.49Å; L1001-I1003 HydrophobicContact CD2-CD1 4.27Å; L1001-I1003 HydrophobicContact CG-CD1 4.32Å
1004	L	25.4	Very low	28.9	Very low	174 Å²	174	134.7 Å²	134.7	91%	0.911	76%	0.764	S	S	*	*			trans	-154	146.1	140.1	-131	150.8	0	0	0	111
1005	H	27.1	Very low	29	Very low	140 Å²	140	131.7 Å²	131.7	65%	0.648	76%	0.757	S	S	*	*			trans	-96.3	150.9	-169.4	-97.7	-132.3	0	0	0	114.5
1006	T	25.2	Very low	29.1	Very low	152 Å²	152	134.3 Å²	134.3	93%	0.933	76%	0.756	S	S	*	*				-150.5	164.5	127.9	5.7	0	0	0	0	111.6
1007	K	26.6	Very low	28.9	Very low	155 Å²	155	135.8 Å²	135.8	67%	0.674	76%	0.755	S	S	*	*			trans	-124.8	161.6	-169.4	-74.2	-176.4	174	-178.6	0	112.3
1008	Q	26.3	Very low	27.9	Very low	166 Å²	166	137.3 Å²	137.3	78%	0.776	76%	0.763	S	S	*	*			trans	67.3	151.9	157.2	-70.6	156.6	-71.7	0	0	114.5
1009	T	25.6	Very low	27	Very low	131 Å²	131	140.9 Å²	140.9	80%	0.804	77%	0.771	S	S	*	*			cis	-136.4	167.8	28.1	46.4	0	0	0	0	114.4
1010	D	25.4	Very low	27.2	Very low	156 Å²	156	138.7 Å²	138.7	83%	0.834	77%	0.766	S	S	*	*			trans	-64.5	156.9	173	-49.9	-96.3	0	0	0	114.1
1011	G	26.9	Very low	28.1	Very low	85 Å²	85	138.4 Å²	138.4	88%	0.876	77%	0.772	S	S	*	*			trans	-160	89.9	176.9	0	0	0	0	0	111.6
1012	N	26.3	Very low	28.1	Very low	143 Å²	143	135.7 Å²	135.7	77%	0.765	77%	0.773	S	S	*	*			trans	-104.2	128.2	-166.5	-170.7	26.1	0	0	0	112.9
1013	C	26.6	Very low	28.1	Very low	111 Å²	111	134.4 Å²	134.4	75%	0.75	78%	0.776	S	S	*	*			trans	-175.2	130.7	158.1	-101.5	0	0	0	0	107.5
1014	L	24.9	Very low	28	Very low	143 Å²	143	133.2 Å²	133.2	75%	0.749	78%	0.779	S	S	*	*			cis	61.8	125.8	48.7	-55.4	172.5	0	0	0	112.1
1015	S	28.6	Very low	28.1	Very low	91 Å²	91	130.3 Å²	130.3	64%	0.636	77%	0.769	S	S	*	*			cis	-155.3	-173.9	-6.3	59.7	0	0	0	0	108.4
1016	E	26.3	Very low	28.2	Very low	171 Å²	171	130.7 Å²	130.7	80%	0.799	77%	0.774	S	S	*	*			cis	-155	-167.1	12.4	-150	143.2	-66.8	0	0	111.6
1017	N	27	Very low	28.1	Very low	139 Å²	139	129.7 Å²	129.7	74%	0.743	77%	0.768	S	S	*	*			trans	-110.2	165.6	-174.5	-63.9	-46.9	0	0	0	113.4
1018	T	27.3	Very low	28.1	Very low	147 Å²	147	128.4 Å²	128.4	90%	0.902	77%	0.773	S	S	*	*			trans	-148.8	118	142.9	-48	0	0	0	0	110.2
1019	E	29.3	Very low	29.2	Very low	178 Å²	178	126 Å²	126	83%	0.832	77%	0.772	S	S	*	*			trans	-92.6	-174.4	174	-47.2	175.3	111	0	0	109.6
1020	A	32.7	Very low	30	Very low	81 Å²	81	125.8 Å²	125.8	67%	0.669	77%	0.772	S	S	*	*			cis	-158.8	-150.1	3.3	0	0	0	0	0	106.2
1021	P	47.9	Very low	29.9	Very low	133 Å²	133	121.6 Å²	121.6	86%	0.864	77%	0.766	S	S	*	*			cis	-115.7	-172	-43.1	25	-3.1	0	0	0	110.2
1022	G	27.9	Very low	29.8	Very low	64 Å²	64	126.1 Å²	126.1	66%	0.66	76%	0.762	S	S	*	*			cis	160.7	176.6	-3.9	0	0	0	0	0	111.6
1023	V	26.6	Very low	29.7	Very low	139 Å²	139	127.2 Å²	127.2	84%	0.842	76%	0.76	S	S	*	*			trans	75.5	97.8	177.8	-169.2	0	0	0	0	114.3
1024	S	29.4	Very low	29.7	Very low	99 Å²	99	126.4 Å²	126.4	69%	0.692	76%	0.755	S	S	*	*				77.3	148	65.4	92.1	0	0	0	0	114.4
1025	T	27.5	Very low	29.6	Very low	113 Å²	113	128.4 Å²	128.4	69%	0.693	76%	0.761	S	S	*	*			cis	-157.7	148.3	13.8	-24.7	0	0	0	0	113
1026	I	27.8	Very low	29.5	Very low	147 Å²	147	129 Å²	129	75%	0.754	77%	0.765	S	S	*	*			trans	10.9	133.5	148.7	-53.8	167	0	0	0	118.5
1027	T	24.4	Very low	29.9	Very low	131 Å²	131	126 Å²	126	80%	0.804	76%	0.761	S	S	*	*				-171.1	172.9	87.7	-43	0	0	0	0	113
1028	T	25.6	Very low	30.2	Very low	129 Å²	129	125.8 Å²	125.8	79%	0.791	76%	0.764	S	S	*	*			trans	-112.5	-147.2	-159.8	47.6	0	0	0	0	117.1
1029	P	49.9	Very low	30.3	Very low	115 Å²	115	124.7 Å²	124.7	75%	0.747	76%	0.76	S	S	*	*				-104.1	-162.7	-119.8	41.2	-22.3	0	0	0	113.7
1030	P	41.7	Very low	30.2	Very low	126 Å²	126	120.5 Å²	120.5	82%	0.818	76%	0.755	S	S	*	*			cis	-128.9	-160.6	0.3	46.4	-28.4	0	0	0	112.9
1031	G	23.9	Very low	29.9	Very low	68 Å²	68	126.1 Å²	126.1	70%	0.701	77%	0.765	S	S	*	*			cis	159.4	-160.5	-8.6	0	0	0	0	0	113.8
1032	F	24.7	Very low	28.8	Very low	181 Å²	181	124.7 Å²	124.7	79%	0.794	76%	0.757	S	S	*	*			trans	73.6	107.1	170.6	-93.3	-104.9	0	0	0	122.3
1033	K	24.6	Very low	29	Very low	165 Å²	165	126.2 Å²	126.2	72%	0.717	76%	0.758	S	S	*	*				51.7	116	124.6	-64.3	-164.8	-173.9	-172.4	0	120
1034	S	25.3	Very low	29.3	Very low	94 Å²	94	126.8 Å²	126.8	66%	0.657	76%	0.756	S	S	*	*				57.7	128.7	82.2	76.3	0	0	0	0	114.2
1035	E	23.6	Very low	29.2	Very low	186 Å²	186	129.8 Å²	129.8	87%	0.869	77%	0.765	S	S	*	*			cis	-159.5	-173.6	12.9	-133	166.8	-178.7	0	0	112
1036	S	26.4	Very low	29.4	Very low	102 Å²	102	132.8 Å²	132.8	71%	0.713	78%	0.777	S	S	*	*			trans	-66.9	172.2	173.3	51.6	0	0	0	0	112.7
1037	P	33.7	Very low	29.5	Very low	110 Å²	110	133.6 Å²	133.6	71%	0.714	78%	0.777	S	S	*	*			cis	-150.3	169.9	28	44.2	-22.7	0	0	0	120.9
1038	V	33.8	Very low	29.8	Very low	133 Å²	133	135.2 Å²	135.2	81%	0.806	78%	0.781	S	S	*	*			trans	34.2	125.9	137.6	-178.8	0	0	0	0	120.7
1039	P	29.6	Very low	29.8	Very low	125 Å²	125	137.6 Å²	137.6	81%	0.812	78%	0.78	S	S	*	*				-137.2	166.4	113.6	39.8	-30.4	0	0	0	115.4
1040	A	26.4	Very low	28.9	Very low	89 Å²	89	134.9 Å²	134.9	74%	0.736	76%	0.764	S	S	*	*			trans	-106.7	-175.7	166.1	0	0	0	0	0	109.3
1041	K	27.8	Very low	28.1	Very low	200 Å²	200	134.6 Å²	134.6	87%	0.87	76%	0.76	S	S	*	*			cis	-168	147	14.7	-157.1	176.5	-174.1	-176.1	0	110.5
1042	S	24.9	Very low	28.6	Very low	102 Å²	102	138.2 Å²	138.2	71%	0.713	76%	0.756	S	S	*	*			trans	-166.1	114.3	155	52.4	0	0	0	0	107.6
1043	S	31.3	Very low	28.7	Very low	96 Å²	96	139.4 Å²	139.4	67%	0.671	76%	0.757	S	S	*	*				54.6	102.3	72.8	74.8	0	0	0	0	110.2
1044	D	32.4	Very low	28.8	Very low	152 Å²	152	133.7 Å²	133.7	81%	0.813	74%	0.736	S	S	*	*			cis	-142.5	137.6	41.7	-62.2	-38.4	0	0	0	113.7
1045	D	27.7	Very low	29.1	Very low	161 Å²	161	135 Å²	135	86%	0.861	74%	0.742	S	S	*	*			trans	-165.1	118.2	164.9	-101.7	-40.6	0	0	0	107.4	E1047	D1045-E1047 PolarHBondContact O-N 3.24Å
1046	D	30.9	Very low	29.4	Very low	177 Å²	177	131 Å²	131	95%	0.947	72%	0.723	S	S	*	*			trans	-83.2	96.9	-178.9	-87	-51.4	0	0	0	111.4
1047	E	30	Very low	29.7	Very low	164 Å²	164	131 Å²	131	77%	0.766	72%	0.715	S	S	*	*			trans	-76.6	123.8	172	-76.3	-163	138	0	0	112.7	D1045 K1049	D1045-E1047 PolarHBondContact O-N 3.24Å; E1047-K1049 PolarHBondContact O-N 2.98Å
1048	D	32	Very low	29.2	Very low	164 Å²	164	135.8 Å²	135.8	88%	0.877	73%	0.725	S	S	*	*			trans	-65.4	83.6	179.2	-128.4	-20.1	0	0	0	112.4	S1050	D1048-S1050 PolarHBondContact O-N 2.87Å
1049	K	24.9	Very low	29	Very low	179 Å²	179	136.4 Å²	136.4	78%	0.778	72%	0.719	S	S	*	*			trans	-73.5	70.6	179.8	-75.6	176.1	-177	164.4	0	112.8	E1047 V1051	E1047-K1049 PolarHBondContact O-N 2.98Å; K1049-V1051 PolarHBondContact O-N 3.02Å
1050	S	31.3	Very low	29	Very low	59 Å²	59	138.1 Å²	138.1	41%	0.413	72%	0.721	S	S	.	*			trans	-67	89.3	167.5	42.3	0	0	0	0	110.9	D1048 F1052	D1048-S1050 PolarHBondContact O-N 2.87Å; S1050-F1052 WeakPolarHBondContact O-CD2 3.35Å; S1050-F1052 VanDerWaalsContact O-CE2 3.28Å; S1050-F1052 WeakPolarHBondContact O-CE2 3.14Å; S1050-F1052 PolarHBondContact O-N 2.98Å; S1050-F1052 VanDerWaalsContact O-N 3.12Å; S1050-F1052 WeakPolarHBondContact OG-CE2 3.4Å; S1050-F1052 WeakPolarHBondContact OG-CZ 3.34Å
1051	V	26	Very low	29	Very low	119 Å²	119	143.6 Å²	143.6	72%	0.721	73%	0.732	S	S	*	*			trans	-70.5	104.6	173.8	178.5	0	0	0	0	109.4	K1049 Y1053	K1049-V1051 PolarHBondContact O-N 3.02Å; V1051-Y1053 PolarHBondContact O-N 2.92Å; V1051-Y1053 VanDerWaalsContact O-N 3.13Å
1052	F	33.5	Very low	29	Very low	144 Å²	144	137.2 Å²	137.2	63%	0.632	72%	0.722	S	S	*	*			trans	-84.3	81.7	-177.9	-66.7	-71.4	0	0	0	112.7	Q684 S1050	Q684-F1052 HydrophobicContact CG-CD1 4.43Å; Q684-F1052 HydrophobicContact CG-CE1 4.36Å; S1050-F1052 WeakPolarHBondContact O-CD2 3.35Å; S1050-F1052 VanDerWaalsContact O-CE2 3.28Å; S1050-F1052 WeakPolarHBondContact O-CE2 3.14Å; S1050-F1052 PolarHBondContact O-N 2.98Å; S1050-F1052 VanDerWaalsContact O-N 3.12Å; S1050-F1052 WeakPolarHBondContact OG-CE2 3.4Å; S1050-F1052 WeakPolarHBondContact OG-CZ 3.34Å
1053	Y	26.8	Very low	29.1	Very low	206 Å²	206	140.1 Å²	140.1	81%	0.808	73%	0.73	S	S	*	*			trans	-92	151.4	164.9	-143.6	-95.9	0	0	0	111.3	V1051	V1051-Y1053 PolarHBondContact O-N 2.92Å; V1051-Y1053 VanDerWaalsContact O-N 3.13Å
1054	T	27	Very low	28.9	Very low	45 Å²	45	143.1 Å²	143.1	28%	0.276	74%	0.738	S	S	.	*			trans	-136.2	123.2	177.5	40.2	0	0	0	0	110.7	F683 K809	F683-T1054 HydrophobicContact CE1-CG2 3.9Å; F683-T1054 HydrophobicContact CZ-CG2 4.42Å; K809-T1054 PolarHBondContact NZ-OG1 3.31Å
1055	P	30.2	Very low	28.8	Very low	121 Å²	121	141.5 Å²	141.5	79%	0.786	74%	0.735	S	S	*	*			trans	-72.4	145.7	150.8	-9	27.1	0	0	0	109.5
1056	E	30.3	Very low	28.7	Very low	103 Å²	103	143.4 Å²	143.4	48%	0.481	74%	0.736	S	S	.	*			trans	-104.8	-176.8	173.6	-66.2	-172.4	103.9	0	0	110.8	F476	F476-E1056 WeakPolarHBondContact CB-OE2 3.12Å; F476-E1056 HydrophobicContact CD2-CB 4.49Å; F476-E1056 PolarHBondContact N-OE2 3.23Å
1057	L	32.3	Very low	28.6	Very low	103 Å²	103	144.3 Å²	144.3	54%	0.539	73%	0.734	S	S	.	*			trans	-73.3	140.2	-162.1	-63.1	98.5	0	0	0	114	E1059	L1057-E1059 HydrophobicContact CB-CG 4.39Å; L1057-E1059 HydrophobicContact CD2-CG 4.21Å
1058	F	25.1	Very low	28.4	Very low	210 Å²	210	143 Å²	143	92%	0.921	73%	0.733	S	S	*	*			trans	-89.7	137.3	140.8	-75.1	-97.1	0	0	0	108.1
1059	E	29.6	Very low	28.1	Very low	146 Å²	146	143.7 Å²	143.7	68%	0.682	73%	0.73	S	S	*	*			trans	-125.9	132.1	165.3	-71.1	-174.2	162.8	0	0	108.6	L1057	L1057-E1059 HydrophobicContact CB-CG 4.39Å; L1057-E1059 HydrophobicContact CD2-CG 4.21Å
1060	D	28.4	Very low	28.2	Very low	160 Å²	160	142.1 Å²	142.1	86%	0.856	74%	0.735	S	S	*	*			trans	42.3	88.5	160.9	-59.3	-7.9	0	0	0	120.6
1061	E	26.8	Very low	27.9	Very low	205 Å²	205	143.6 Å²	143.6	96%	0.958	75%	0.746	S	S	*	*			trans	-97.3	118.1	134	-77	-139.2	139.9	0	0	109
1062	G	27.1	Very low	27.8	Very low	65 Å²	65	143.3 Å²	143.3	67%	0.67	75%	0.749	S	S	*	*			trans	-163	23.3	-165.3	0	0	0	0	0	117.4
1063	N	27.4	Very low	27.7	Very low	163 Å²	163	142.5 Å²	142.5	87%	0.872	76%	0.758	S	S	*	*			trans	-161.2	102.5	165.5	-102.6	-63.1	0	0	0	112.2
1064	L	27.4	Very low	27.7	Very low	159 Å²	159	143.2 Å²	143.2	83%	0.832	76%	0.76	S	S	*	*			trans	-110.4	145.6	158.6	-79.2	170.3	0	0	0	109.2
1065	P	29.2	Very low	27.8	Very low	118 Å²	118	149.2 Å²	149.2	77%	0.766	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-73.9	148.3	-172.5	30.2	-35	0	0	0	112.3
1066	K	26.8	Very low	27.4	Very low	202 Å²	202	149.7 Å²	149.7	88%	0.878	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-79.1	126.1	170	-65.9	-176	177.6	-176.1	0	110.3
1067	E	27.8	Very low	28.2	Very low	195 Å²	195	149.8 Å²	149.8	91%	0.911	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-76.3	166.6	160.2	-66.6	-163	126.1	0	0	111.4
1068	N	26.6	Very low	27.9	Very low	137 Å²	137	151.2 Å²	151.2	73%	0.733	80%	0.802	S	S	*	*			trans	-110.8	138.1	-167.7	-85	-41.5	0	0	0	113.3
1069	H	26.5	Very low	28	Very low	178 Å²	178	146.4 Å²	146.4	82%	0.824	79%	0.79	S	S	*	*			trans	64.9	148.2	166.7	-55.2	-57.2	0	0	0	114.5
1070	V	26.4	Very low	27.9	Very low	146 Å²	146	145.9 Å²	145.9	89%	0.885	79%	0.787	S	S	*	*			cis	-130.7	165.1	44	170.4	0	0	0	0	112.8
1071	S	24.8	Very low	27.8	Very low	90 Å²	90	147.3 Å²	147.3	63%	0.629	78%	0.781	S	S	*	*			trans	-97.6	151.7	-169.7	56.1	0	0	0	0	115.5
1072	S	23	Very low	27.7	Very low	114 Å²	114	143.1 Å²	143.1	80%	0.797	77%	0.774	S	S	*	*			trans	69	147.2	141.8	-67.1	0	0	0	0	117.8
1073	P	32.9	Very low	27.6	Very low	126 Å²	126	144.2 Å²	144.2	82%	0.818	78%	0.776	S	S	*	*			cis	-130.3	170.2	39.9	39.5	-23.5	0	0	0	117.4
1074	R	26.2	Very low	27.5	Very low	222 Å²	222	142.6 Å²	142.6	84%	0.838	77%	0.773	S	S	*	*			trans	-82.6	144.6	166	-55.1	171.6	179.1	166.9	-5	110.4
1075	I	28.4	Very low	28.5	Very low	170 Å²	170	140.1 Å²	140.1	87%	0.872	77%	0.766	S	S	*	*			trans	-143	124.6	142.1	-69.6	-167.9	0	0	0	107.2
1076	D	23.4	Very low	28.3	Very low	132 Å²	132	138.9 Å²	138.9	71%	0.706	76%	0.761	S	S	*	*			trans	-86.9	177	168.3	-50.7	-82	0	0	0	109.8
1077	P	46.6	Very low	28.4	Very low	104 Å²	104	136.4 Å²	136.4	68%	0.675	75%	0.752	S	S	*	*			cis	-136.3	-159.6	-3.8	26.2	0.6	0	0	0	113.1
1078	D	25	Very low	28.4	Very low	133 Å²	133	134.2 Å²	134.2	71%	0.711	74%	0.742	S	S	*	*			trans	87.3	108	131	-88.6	-27.7	0	0	0	123.4
1079	T	28	Very low	28.4	Very low	109 Å²	109	135.2 Å²	135.2	67%	0.669	75%	0.746	S	S	*	*				85.2	105	107.4	-70	0	0	0	0	121.6
1080	E	27.2	Very low	28.6	Very low	135 Å²	135	130.4 Å²	130.4	63%	0.631	74%	0.737	S	S	*	*			trans	89.7	129.2	134.3	-79.2	-165.1	152.5	0	0	125.3
1081	R	26.7	Very low	29.4	Very low	191 Å²	191	130 Å²	130	72%	0.721	74%	0.737	S	S	*	*			trans	62.5	114.8	132.9	-66.4	178.6	-163.8	-160	18.5	122.7
1082	S	24.2	Very low	29.6	Very low	117 Å²	117	129.8 Å²	129.8	82%	0.818	74%	0.741	S	S	*	*				71.2	159.6	126.5	80.6	0	0	0	0	118.3
1083	A	25.9	Very low	29.8	Very low	87 Å²	87	134.7 Å²	134.7	72%	0.719	75%	0.749	S	S	*	*			cis	-144.5	166.4	2.9	0	0	0	0	0	112.9
1084	T	25.2	Very low	29.4	Very low	130 Å²	130	132 Å²	132	80%	0.798	74%	0.744	S	S	*	*			trans	-56.9	175.1	159.3	45.1	0	0	0	0	114.8
1085	P	47.5	Very low	29.5	Very low	106 Å²	106	129.4 Å²	129.4	69%	0.688	74%	0.741	S	S	*	*			cis	-137.7	-162.9	-14.9	29.5	-5.3	0	0	0	114
1086	S	25.7	Very low	29.5	Very low	93 Å²	93	129 Å²	129	65%	0.65	74%	0.736	S	S	*	*			trans	76.1	154.1	150.7	-67.1	0	0	0	0	118
1087	Q	28.3	Very low	29.6	Very low	149 Å²	149	128.4 Å²	128.4	70%	0.696	74%	0.742	S	S	*	*			cis	-152.1	174.9	-6.4	-127.8	159.6	-78.2	0	0	110.3
1088	E	27.5	Very low	28.7	Very low	149 Å²	149	129.9 Å²	129.9	70%	0.696	75%	0.748	S	S	*	*			trans	16.3	145	146.3	-73	167.4	130.8	0	0	120.9
1089	L	27.2	Very low	28.9	Very low	158 Å²	158	127.9 Å²	127.9	83%	0.827	75%	0.75	S	S	*	*			cis	-168.6	169.3	41.4	-127.1	148.6	0	0	0	110.7
1090	A	30	Very low	28.8	Very low	77 Å²	77	128 Å²	128	64%	0.636	76%	0.756	S	S	*	*			trans	-104.4	164.3	166.5	0	0	0	0	0	111.4
1091	P	43.4	Very low	28.8	Very low	137 Å²	137	125.8 Å²	125.8	89%	0.89	76%	0.761	S	S	*	*				-149.2	-157	98.5	39.5	-20.4	0	0	0	114.5
1092	A	29.2	Very low	28.8	Very low	86 Å²	86	121.9 Å²	121.9	71%	0.711	76%	0.763	S	S	*	*			trans	-122.9	-150.4	-160.9	0	0	0	0	0	115.5
1093	F	26.8	Very low	29.1	Very low	218 Å²	218	124.9 Å²	124.9	96%	0.956	76%	0.761	S	S	*	*			trans	77.4	147.9	-172.3	-53.9	-82.6	0	0	0	115.6
1094	G	25.6	Very low	29.2	Very low	69 Å²	69	128.8 Å²	128.8	71%	0.711	76%	0.764	S	S	*	*			cis	173.9	144.9	-9.8	0	0	0	0	0	114.7
1095	E	28.7	Very low	29.4	Very low	168 Å²	168	128 Å²	128	79%	0.785	76%	0.764	S	S	*	*			trans	59.1	130.2	154	-59.5	-149.1	98.1	0	0	126
1096	Q	27.8	Very low	28.4	Very low	161 Å²	161	129.2 Å²	129.2	75%	0.752	77%	0.77	S	S	*	*			trans	50.8	124.8	135.8	-57.8	-172.6	44.5	0	0	124.7
1097	S	25.8	Very low	28.5	Very low	120 Å²	120	133.4 Å²	133.4	84%	0.839	78%	0.776	S	S	*	*			trans	154.1	169.1	130.9	52.8	0	0	0	0	111.9
1098	V	27.9	Very low	28.6	Very low	134 Å²	134	133.9 Å²	133.9	81%	0.812	78%	0.783	S	S	*	*				-171.7	128.9	-51.7	143.1	0	0	0	0	106.6
1099	A	27.6	Very low	28.7	Very low	91 Å²	91	132.2 Å²	132.2	75%	0.752	79%	0.787	S	S	*	*			trans	60.7	172.1	165.5	0	0	0	0	0	118.1
1100	S	25.7	Very low	28.9	Very low	111 Å²	111	133.9 Å²	133.9	78%	0.776	79%	0.791	S	S	*	*			cis	-152.7	170.5	15.2	-55.9	0	0	0	0	114.5
1101	A	27.9	Very low	28.7	Very low	89 Å²	89	133.8 Å²	133.8	74%	0.736	80%	0.797	S	S	*	*			trans	15.5	127.9	151	0	0	0	0	0	121.1
1102	S	27.7	Very low	28.2	Very low	110 Å²	110	136.5 Å²	136.5	77%	0.769	80%	0.798	S	S	*	*			cis	86.8	133.5	44.8	84	0	0	0	0	117.1
1103	K	30.4	Very low	28.2	Very low	180 Å²	180	140.9 Å²	140.9	78%	0.783	80%	0.801	S	S	*	*			trans	177.5	121.4	149.6	-99.1	170.3	-178	176	0	111.3
1104	Q	27.8	Very low	28.4	Very low	169 Å²	169	137.3 Å²	137.3	79%	0.79	79%	0.788	S	S	*	*				72.6	126.6	101.1	-70	178.6	-30.2	0	0	115.5
1105	S	28.6	Very low	28.8	Very low	114 Å²	114	140.9 Å²	140.9	80%	0.797	79%	0.79	S	S	*	*			cis	115.3	120.4	1.2	-175.8	0	0	0	0	115.4
1106	T	26.7	Very low	28.9	Very low	130 Å²	130	139 Å²	139	80%	0.798	79%	0.791	S	S	*	*			trans	-166.1	124.2	154.2	22.7	0	0	0	0	115
1107	K	29	Very low	28.8	Very low	182 Å²	182	139.6 Å²	139.6	79%	0.791	79%	0.793	S	S	*	*			trans	48.6	123.1	133.6	-63.4	-170.9	177.3	-177.8	0	120.9
1108	L	29.3	Very low	29.1	Very low	159 Å²	159	137.8 Å²	137.8	83%	0.832	79%	0.786	S	S	*	*				67.2	139.8	82.5	-77	156.3	0	0	0	113.9
1109	S	28.7	Very low	29.3	Very low	113 Å²	113	139.2 Å²	139.2	79%	0.79	79%	0.788	S	S	*	*			cis	-151.6	-155.3	34.7	59.1	0	0	0	0	115.4
1110	Q	32.7	Very low	29.3	Very low	193 Å²	193	142.4 Å²	142.4	90%	0.902	79%	0.787	S	S	*	*			trans	-109.2	166.9	-166.3	-58.2	162	-78	0	0	114.9
1111	G	25.7	Very low	29.5	Very low	75 Å²	75	144.9 Å²	144.9	77%	0.773	79%	0.787	S	S	*	*			trans	-170.3	156.2	165.6	0	0	0	0	0	113.8
1112	Q	31.8	Very low	29.6	Very low	194 Å²	194	145 Å²	145	91%	0.907	78%	0.782	S	S	*	*			trans	-138.9	174.3	180	-70.8	-177	-91	0	0	111.6
1113	K	29.3	Very low	29.6	Very low	179 Å²	179	148.5 Å²	148.5	78%	0.778	79%	0.786	S	S	*	*			trans	94	157.1	172.3	-65.9	-174.6	162.7	-81.5	0	116.6
1114	E	32.6	Very low	29.6	Very low	142 Å²	142	148.2 Å²	148.2	66%	0.664	79%	0.785	S	S	*	*			cis	-177.2	127.3	-37.7	-108.3	164.2	-177.1	0	0	107.4
1115	D	32.3	Very low	29.6	Very low	144 Å²	144	145.1 Å²	145.1	77%	0.77	78%	0.778	S	S	*	*			trans	49.5	158.5	150.8	-58.8	-7.5	0	0	0	126.4
1116	T	30.8	Very low	29.5	Very low	129 Å²	129	147.9 Å²	147.9	79%	0.791	78%	0.778	S	S	*	*			trans	69	148.5	163.8	39.2	0	0	0	0	118.8
1117	E	27	Very low	29.5	Very low	173 Å²	173	150.4 Å²	150.4	81%	0.808	78%	0.781	S	S	*	*			cis	-147.6	148.2	6.3	-110.6	159.8	-172.1	0	0	108.4
1118	A	32.4	Very low	29.5	Very low	82 Å²	82	148.8 Å²	148.8	68%	0.678	78%	0.781	S	S	*	*				60.9	139.4	81.9	0	0	0	0	0	115.7
1119	L	31.4	Very low	29.5	Very low	164 Å²	164	148.4 Å²	148.4	86%	0.859	78%	0.775	S	S	*	*			cis	-123.4	-133.7	-2.7	-65.2	86.5	0	0	0	109.7
1120	Q	28	Very low	29.4	Very low	159 Å²	159	147.3 Å²	147.3	74%	0.743	77%	0.767	S	S	*	*			cis	-151.2	-118.9	-5.5	-153	-173.7	-27.1	0	0	115.5
1121	Q	29.6	Very low	29.1	Very low	163 Å²	163	146.6 Å²	146.6	76%	0.762	76%	0.764	S	S	*	*			trans	-147.7	-176.4	-160.2	-60.7	157.8	-66.4	0	0	110.8
1122	S	29.4	Very low	29.2	Very low	91 Å²	91	150.3 Å²	150.3	64%	0.636	77%	0.766	S	S	*	*			cis	-154.8	175.9	8.7	62.6	0	0	0	0	114
1123	E	28.7	Very low	28.9	Very low	183 Å²	183	152.7 Å²	152.7	86%	0.855	77%	0.767	S	S	*	*			trans	76.9	178.6	146.2	-80.8	158.5	142.1	0	0	124.2
1124	K	29.3	Very low	28.9	Very low	175 Å²	175	152 Å²	152	76%	0.761	77%	0.766	S	S	*	*				-165.9	156.5	-115.9	-168.6	-164.5	-177.4	-164.5	0	113.9
1125	T	27.7	Very low	28.8	Very low	104 Å²	104	156.2 Å²	156.2	64%	0.638	78%	0.776	S	S	*	*			trans	65.7	160.5	162.2	26.8	0	0	0	0	116.3
1126	E	26.9	Very low	28.6	Very low	172 Å²	172	152.7 Å²	152.7	80%	0.804	77%	0.774	S	S	*	*			cis	-151.4	-174.3	6.8	-141.8	145.5	-126.9	0	0	112.1
1127	E	27.8	Very low	28.7	Very low	182 Å²	182	151.8 Å²	151.8	85%	0.85	77%	0.772	S	S	*	*			trans	-90.7	-173.3	179	-62.1	163.7	131.2	0	0	111.1
1128	D	29	Very low	28.9	Very low	149 Å²	149	154.3 Å²	154.3	80%	0.797	78%	0.775	S	S	*	*			cis	-165.2	-174.1	17.2	-160.8	-0.6	0	0	0	112.4
1129	E	28.9	Very low	28.8	Very low	151 Å²	151	157.3 Å²	157.3	71%	0.706	78%	0.778	S	S	*	*			trans	77.6	92	151.8	-74.7	-127.4	100.2	0	0	124.2
1130	S	26.5	Very low	28.7	Very low	89 Å²	89	157.2 Å²	157.2	62%	0.622	77%	0.773	S	S	*	*				94.9	158.9	109.1	88.1	0	0	0	0	124.7
1131	Q	27.1	Very low	28.7	Very low	178 Å²	178	159.4 Å²	159.4	83%	0.832	78%	0.775	S	S	*	*			trans	78.3	68.5	158.7	-60.8	-165.7	43.3	0	0	124
1132	N	26.5	Very low	28.5	Very low	154 Å²	154	159.2 Å²	159.2	82%	0.824	78%	0.778	S	S	*	*				38.7	112.9	110.7	-176	10.8	0	0	0	120.9
1133	R	26.8	Very low	28.3	Very low	244 Å²	244	160.6 Å²	160.6	92%	0.921	79%	0.787	S	S	*	*			trans	-154.1	133	150.2	-116.7	174.1	-169.7	-172	4.1	117.1
1134	Q	29	Very low	28.1	Very low	164 Å²	164	162.9 Å²	162.9	77%	0.766	79%	0.788	S	S	*	*			trans	-17.9	162.4	157.1	-68.5	-174.1	12.7	0	0	121.5
1135	R	30.5	Very low	27.9	Very low	231 Å²	231	159.8 Å²	159.8	87%	0.872	79%	0.789	S	S	*	*			cis	174.6	146.2	-14	179	-175.2	-157	-169.4	8.3	112
1136	G	26.3	Very low	27.8	Very low	70 Å²	70	165.3 Å²	165.3	72%	0.722	80%	0.798	S	S	*	*			trans	111.7	166.9	147.5	0	0	0	0	0	118.4
1137	S	33.2	Very low	27.8	Very low	109 Å²	109	165 Å²	165	76%	0.762	80%	0.797	S	S	*	*			cis	-168.1	169.6	-10.5	63.4	0	0	0	0	113.8
1138	R	30.9	Very low	27.6	Very low	227 Å²	227	167.7 Å²	167.7	86%	0.857	80%	0.799	S	S	*	*			trans	105	143.8	160.2	-63	-167.7	173.2	-178.3	-1.9	117.9
1139	L	31.3	Very low	27.4	Very low	144 Å²	144	166 Å²	166	75%	0.754	79%	0.794	S	S	*	*			cis	-176.9	140.8	-35	-120.6	177	0	0	0	108.9
1140	H	28.8	Very low	27.2	Very low	163 Å²	163	164.2 Å²	164.2	76%	0.755	80%	0.798	S	S	*	*				-170.4	166.7	126.4	-117.4	-106.8	0	0	0	115.4
1141	R	28.1	Very low	27.1	Very low	205 Å²	205	167.5 Å²	167.5	77%	0.774	81%	0.807	S	S	*	*			trans	-58.2	135.9	-167.2	-72.1	174.2	175.3	161.7	-2	115.4
1142	L	26.4	Very low	27.1	Very low	158 Å²	158	163.4 Å²	163.4	83%	0.827	80%	0.799	S	S	*	*				60.1	130.7	86.7	-62.1	169.5	0	0	0	113.8
1143	S	25	Very low	27.2	Very low	120 Å²	120	164.7 Å²	164.7	84%	0.839	80%	0.8	S	S	*	*				-147.5	-173	56.4	57.2	0	0	0	0	116.3
1144	R	25.1	Very low	27.3	Very low	232 Å²	232	158 Å²	158	88%	0.875	80%	0.796	S	S	*	*			trans	-115.2	154.1	-178.7	-65.7	171.2	169.9	170.8	-4.9	109.6
1145	S	24.3	Very low	27.2	Very low	110 Å²	110	153.7 Å²	153.7	77%	0.769	80%	0.796	S	S	*	*				-163	160.6	69.4	56.3	0	0	0	0	111.2
1146	R	25.6	Very low	27.1	Very low	220 Å²	220	149.1 Å²	149.1	83%	0.83	79%	0.789	S	S	*	*			cis	64.6	132.1	45.5	-80.1	-170.7	178.7	-161	-1.1	113.1
1147	Q	26	Very low	27.3	Very low	166 Å²	166	152.7 Å²	152.7	78%	0.776	79%	0.787	S	S	*	*			cis	-133.9	-174.4	4.7	-84.8	146.9	-58.5	0	0	109.6
1148	R	24.4	Very low	27.2	Very low	237 Å²	237	155.2 Å²	155.2	89%	0.894	79%	0.787	S	S	*	*			cis	-136.3	159.7	15.7	-65.2	172.5	174.1	166.9	-3.9	109.1
1149	V	24.5	Very low	27.1	Very low	115 Å²	115	150.2 Å²	150.2	70%	0.697	79%	0.787	S	S	*	*			cis	92.7	93.2	20.9	-176.8	0	0	0	0	116.3
1150	S	24.9	Very low	27	Very low	112 Å²	112	146.4 Å²	146.4	78%	0.783	78%	0.782	S	S	*	*			trans	-177.7	128.7	146.4	38.4	0	0	0	0	106.4
1151	L	24.9	Very low	27.3	Very low	158 Å²	158	147.3 Å²	147.3	83%	0.827	79%	0.786	S	S	*	*			cis	62.3	129.6	18.3	-72.2	165.6	0	0	0	113.2
1152	S	27.5	Very low	27.6	Very low	93 Å²	93	143 Å²	143	65%	0.65	78%	0.783	S	S	*	*			cis	-152.2	-158.7	10.8	52.9	0	0	0	0	109.6
1153	Q	27.2	Very low	28.2	Very low	181 Å²	181	148.4 Å²	148.4	85%	0.846	80%	0.804	S	S	*	*			cis	-163.7	159.8	13.5	-148.3	164.3	13.6	0	0	110.8
1154	A	29.7	Very low	28.3	Very low	102 Å²	102	149.9 Å²	149.9	84%	0.843	80%	0.802	S	S	*	*			trans	-147.7	133.3	160.1	0	0	0	0	0	108.6
1155	G	26.4	Very low	28.5	Very low	75 Å²	75	145.5 Å²	145.5	77%	0.773	80%	0.798	S	S	*	*			trans	-127.2	87.5	-164.2	0	0	0	0	0	115.4
1156	N	29.6	Very low	28.7	Very low	135 Å²	135	147.5 Å²	147.5	72%	0.722	80%	0.8	S	S	*	*				47.6	153.3	124.3	-123	38.1	0	0	0	123.7
1157	H	29.7	Very low	28.9	Very low	144 Å²	144	143.2 Å²	143.2	67%	0.667	80%	0.798	S	S	*	*			trans	80.3	143.9	160.9	-62.8	-68.8	0	0	0	119.9
1158	Q	31.2	Very low	29.1	Very low	163 Å²	163	141.8 Å²	141.8	76%	0.762	80%	0.8	S	S	*	*			cis	-168.1	-178.8	-29.6	-142.1	175.5	-14.9	0	0	111.6
1159	S	29.9	Very low	29.4	Very low	122 Å²	122	135.5 Å²	135.5	85%	0.853	79%	0.793	S	S	*	*			trans	80.2	140.5	167.6	75.7	0	0	0	0	117.8
1160	G	28.8	Very low	29.8	Very low	64 Å²	64	136.9 Å²	136.9	66%	0.66	80%	0.8	S	S	*	*			cis	156.5	147.2	-15.6	0	0	0	0	0	114.7
1161	H	33.9	Very low	30.1	Very low	181 Å²	181	138.8 Å²	138.8	84%	0.838	80%	0.801	S	S	*	*			trans	65.2	154.5	165.3	-74.2	-75.7	0	0	0	118.5
1162	T	35.1	Very low	30.6	Very low	116 Å²	116	137.3 Å²	137.3	71%	0.712	80%	0.799	S	S	*	*			cis	-160.8	158.3	-45.4	8.4	0	0	0	0	107.8
1163	E	38	Very low	30.8	Very low	271 Å²	271	141.3 Å²	141.3	100%	1.266	81%	0.813	S	S	*	*			trans	67.6	0	176	-59.5	-171.3	144.9	0	0	116.4

Retrieved 1,163 of 1,163 residues in 3868.6 ms (Link to these results)

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