A0A087YAI8_POEFO Loading...

AP-3 complex subunit beta

Subunit of non-clathrin- and clathrin-associated adaptor protein complex 3 (AP-3) that plays a role in protein sorting in the late-Golgi/trans-Golgi network (TGN) and/or endosomes. The AP complexes mediate both the recruitment of clathrin to membranes and the recognition of sorting signals within the cytosolic tails of transmembrane cargo molecules. AP-3 appears to be involved in the sorting of a subset of transmembrane proteins targeted to lysosomes and lysosome-related organelles. In concert with the BLOC-1 complex, AP-3 is required to target cargos into vesicles assembled at cell bodies for delivery into neurites and nerve terminals.

AlphaFold DB , UniProt , Accession A0A087YAI8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,088 aa.

						>A0A087YAI8_POEFO|A0A087YAI8
RSGKNLAYDVFAGGGLFLSCLTEITGLCSLQTKFLTSKGNLSRHDDLKEMLDSNKDSLKLEAMKRIVAMIARGKNASDLFPAVVKNVACKNIEVKKLVYVYLVRYAEEQQDLALLSISTFQRGLKDPNQLIRASALRVLSSIRVTIIVPIMMLAIKEAASDMSPYVRKTAAHAIPKLYSLDPEQKDQLIEVIEKLLADKTTLVAGSVVMAFEEVCPERIDLIHKNYRKLCNLLIDVEEWGQVVIINMLTRYARTQFLNPNINESLLEEGGGADKTFYGSDEDEDEDEEEKEKKPYVMDPDHRLLLRNTKPLRQMCKFQVVMAVAQLYFHLAPKAEVGVIAKALVRLLRSHSEVQYVVLQNVATMTIKRRGMFEPYLKSFYIRSTDPTQIKILKLEVLTNLANETNISTILREFQTYIKSMDKDFVAATIQAIGRCATNIGEVRDTCLNGLVQLLSNRDELVVAESVVVIKKLLQMQPEKHSDIIKHMAKLTDNIQVPMARASILWLIGEYCEHVPKIAPDVLRKMAKSFTNEEDIVKLQILNLAAKLYLTNSKQTKLLTQYVLNLAKYDQNYDIRDRARFIRQLIVPTEKSGALSKYAKKLFLALKPAPVLESPFKDRDHFQLGSLSHLLNAKAGGYQELPDWPESAPDPSVRNVEIFSLKVPEWTKCSSREKRKEKKVEKPFYSDSEGESGPTESADSESDSASGSESGSEGSGSASESEESGGVSVFVSEQSSEEEDRKHERKMKQQKSDSESESDEEEESESESSQSESDDSESEAENSEEKLLSKAAESKPPSKPAKRETTKEKKEMSLLDLDDFEPAPSPQVTPVNNLFSNSLVTDLEGLSLSEAVLLPATITPSSALKSYELLHRITGEGLSVEYCFSRQPFSPDANMVAVQMQFTNSSASDTKSLHMEDVKLQSGMRVKEFPEIELLPAGETATAVMGIDFCDSTQAANFQLCTHTRKFFVSIQPPVGELMRPVFLTENEFKKEQGQLMGMNEITEKLTLDAKCRNEHAIVQRVTTAANLSRVPCGSDKECRFAGRTVTSGSLVLVTVATREEGAAQLTINCEKMVIGTMLVKDILLALTQ
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	R	23.7	Very low	24.6	Very low	288 Å²	288	129.7 Å²	129.7	100%	1.087	67%	0.669	S	S	*	*				0	-47.2	0	-97.2	177.9	173.1	161	-3.4	113	G3 K4	R1-G3 VanDerWaalsContact C-N 3.35Å; R1-G3 PolarHBondContact O-N 2.97Å; R1-K4 PolarHBondContact O-N 2.91Å
2	S	21.2	Very low	25	Very low	108 Å²	108	124.4 Å²	124.4	76%	0.755	66%	0.659	S	S	*	*	G	3₁₀ helix	trans	-45.6	-44.9	-177.5	179.6	0	0	0	0	116.2	K4 N5	S2-K4 PolarHBondContact O-N 2.95Å; S2-N5 PolarHBondContact O-N 3.34Å
3	G	20.3	Very low	25.2	Very low	67 Å²	67	116 Å²	116	69%	0.691	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-63.2	0.2	-174.1	0	0	0	0	0	118.3	R1	R1-G3 VanDerWaalsContact C-N 3.35Å; R1-G3 PolarHBondContact O-N 2.97Å
4	K	23.2	Very low	25.3	Very low	164 Å²	164	109.7 Å²	109.7	71%	0.713	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-76.5	-23.9	175.2	-78.1	-161.5	171.4	-167	0	113.9	R1 S2	R1-K4 PolarHBondContact O-N 2.91Å; S2-K4 PolarHBondContact O-N 2.95Å
5	N	26.2	Very low	25.5	Very low	117 Å²	117	105.5 Å²	105.5	63%	0.626	59%	0.589	S	S	*	*	H	α-helix	trans	-78.2	-36.8	-169.3	-66.9	17.4	0	0	0	113.1	S2 A7 Y8	S2-N5 PolarHBondContact O-N 3.34Å; N5-A7 PolarHBondContact O-N 3.4Å; N5-Y8 PolarHBondContact O-N 3.28Å
6	L	24.2	Very low	26.3	Very low	132 Å²	132	100.9 Å²	100.9	69%	0.691	56%	0.562	S	S	*	*	H	α-helix	trans	-61.7	-29.4	178.3	-91.2	79.3	0	0	0	113.3	Y8 V10	L6-Y8 PolarHBondContact O-N 3.01Å; L6-V10 WeakPolarHBondContact O-CG2 3.49Å; L6-V10 PolarHBondContact O-N 3.21Å
7	A	23.4	Very low	26.6	Very low	59 Å²	59	103.2 Å²	103.2	49%	0.488	57%	0.565	S	S	.	*	H	α-helix	trans	-67.8	-35.8	-176.7	0	0	0	0	0	112.9	N5 F11	N5-A7 PolarHBondContact O-N 3.4Å; A7-F11 PolarHBondContact O-N 2.84Å
8	Y	26.6	Very low	26.8	Very low	166 Å²	166	103.4 Å²	103.4	65%	0.651	57%	0.565	S	S	*	*	H	α-helix	trans	-71.7	-44.2	177.7	-86.7	-87.5	0	0	0	112	N5 L6 V10 F11 A12	N5-Y8 PolarHBondContact O-N 3.28Å; L6-Y8 PolarHBondContact O-N 3.01Å; Y8-V10 PolarHBondContact O-N 3.06Å; Y8-F11 PolarHBondContact O-N 3.15Å; Y8-A12 PolarHBondContact O-N 3.15Å
9	D	26.9	Very low	27	Very low	73 Å²	73	100.7 Å²	100.7	39%	0.39	55%	0.554	S	S	.	*	H	α-helix	trans	-64	-24.7	179	-76.5	-35.5	0	0	0	112.7	G13 R143	D9-G13 CarbonylContact O-C 3.51Å; D9-G13 WeakPolarHBondContact O-CA 3.23Å; D9-G13 PolarHBondContact O-N 3.06Å; D9-R143 IonicContact OD1-NH2 2.67Å; D9-R143 PolarHBondContact OD1-NH2 2.95Å; D9-R143 IonicContact OD2-NH2 3.04Å; D9-R143 PolarHBondContact OD2-NH2 3.33Å
10	V	28	Very low	27.3	Very low	93 Å²	93	97.8 Å²	97.8	56%	0.564	54%	0.541	S	S	*	.	H	α-helix	trans	-76.9	-44.5	175.9	170	0	0	0	0	112.9	L6 Y8 G14	L6-V10 WeakPolarHBondContact O-CG2 3.49Å; L6-V10 PolarHBondContact O-N 3.21Å; Y8-V10 PolarHBondContact O-N 3.06Å; V10-G14 VanDerWaalsContact O-CA 3.27Å; V10-G14 WeakPolarHBondContact O-CA 3.46Å; V10-G14 PolarHBondContact O-N 3.15Å
11	F	27.4	Very low	27.5	Very low	160 Å²	160	96.4 Å²	96.4	70%	0.702	53%	0.532	S	S	*	.	H	α-helix	trans	-81.8	-42	-173.9	-90.7	-89.2	0	0	0	113.9	A7 Y8 L626	A7-F11 PolarHBondContact O-N 2.84Å; Y8-F11 PolarHBondContact O-N 3.15Å; F11-L626 HydrophobicContact CZ-CD2 4.08Å
12	A	29.2	Very low	27.9	Very low	66 Å²	66	86.9 Å²	86.9	55%	0.545	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-27.8	174.2	0	0	0	0	0	112.5	Y8	Y8-A12 PolarHBondContact O-N 3.15Å
13	G	27.8	Very low	28.4	Very low	15 Å²	15	86.6 Å²	86.6	16%	0.155	49%	0.493	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-4.2	-174.5	0	0	0	0	0	115.8	D9 G15 L16 F17	D9-G13 CarbonylContact O-C 3.51Å; D9-G13 WeakPolarHBondContact O-CA 3.23Å; D9-G13 PolarHBondContact O-N 3.06Å; G13-G15 PolarHBondContact O-N 2.91Å; G13-L16 CarbonylContact O-C 3.57Å; G13-L16 WeakPolarHBondContact O-CA 3.3Å; G13-L16 WeakPolarHBondContact O-CB 3.32Å; G13-L16 PolarHBondContact O-N 3.21Å; G13-F17 PolarHBondContact O-N 3.25Å
14	G	25.6	Very low	29.2	Very low	28 Å²	28	85.8 Å²	85.8	29%	0.289	47%	0.472	S	S	.	.	H	α-helix	trans	-46.6	-53.4	-169.3	0	0	0	0	0	114.7	V10 L16 L18	V10-G14 VanDerWaalsContact O-CA 3.27Å; V10-G14 WeakPolarHBondContact O-CA 3.46Å; V10-G14 PolarHBondContact O-N 3.15Å; G14-L16 PolarHBondContact O-N 3.01Å; G14-L18 WeakPolarHBondContact O-CB 3.4Å; G14-L18 PolarHBondContact O-N 3.3Å
15	G	29.2	Very low	29.7	Very low	47 Å²	47	81.9 Å²	81.9	49%	0.485	46%	0.462	S	S	.	.	H	α-helix	trans	-72.4	-21.6	177.5	0	0	0	0	0	115.1	G13 S19	G13-G15 PolarHBondContact O-N 2.91Å; G15-S19 WeakPolarHBondContact O-CB 3.44Å; G15-S19 PolarHBondContact O-N 3.14Å; G15-S19 PolarHBondContact O-OG 3.01Å
16	L	37.5	Very low	29.8	Very low	32 Å²	32	78.3 Å²	78.3	17%	0.168	45%	0.453	C	S	.	.	H	α-helix	trans	-82.9	-40.3	178.4	-72.6	166.5	0	0	0	111.7	G13 G14 S19 C20 H172	G13-L16 CarbonylContact O-C 3.57Å; G13-L16 WeakPolarHBondContact O-CA 3.3Å; G13-L16 WeakPolarHBondContact O-CB 3.32Å; G13-L16 PolarHBondContact O-N 3.21Å; G14-L16 PolarHBondContact O-N 3.01Å; L16-S19 PolarHBondContact O-OG 3.46Å; L16-C20 PolarHBondContact O-N 3.41Å; L16-H172 HydrophobicContact CD1-CB 4.23Å; L16-H172 HydrophobicContact CD2-CB 4.3Å
17	F	31.3	Very low	30.3	Very low	139 Å²	139	75.6 Å²	75.6	61%	0.61	44%	0.439	S	S	*	.	H	α-helix	trans	-72.9	-42.3	173.2	-132.1	-91.5	0	0	0	110.7	G13 L21	G13-F17 PolarHBondContact O-N 3.25Å; F17-L21 HydrophobicContact CD1-CD1 3.79Å; F17-L21 HydrophobicContact CD1-CG 4.32Å; F17-L21 HydrophobicContact CE1-CD1 4.35Å; F17-L21 VanDerWaalsContact O-CB 3.28Å; F17-L21 WeakPolarHBondContact O-CB 3.31Å; F17-L21 WeakPolarHBondContact O-CG 3.14Å; F17-L21 PolarHBondContact O-N 3.16Å
18	L	31.7	Very low	30.6	Very low	108 Å²	108	75.8 Å²	75.8	57%	0.565	44%	0.436	S	S	*	.	H	α-helix	trans	-66.1	-39.5	174.4	-100.1	69.2	0	0	0	113.3	G14 C20 L21 T22	G14-L18 WeakPolarHBondContact O-CB 3.4Å; G14-L18 PolarHBondContact O-N 3.3Å; L18-C20 VanDerWaalsContact C-N 3.34Å; L18-C20 PolarHBondContact O-N 3.27Å; L18-L21 CarbonylContact O-C 3.56Å; L18-L21 WeakPolarHBondContact O-CA 3.34Å; L18-L21 PolarHBondContact O-N 3.17Å; L18-L21 VanDerWaalsContact O-N 3.16Å; L18-T22 WeakPolarHBondContact O-CG2 3.16Å; L18-T22 PolarHBondContact O-N 3.11Å; L18-T22 PolarHBondContact O-OG1 3.04Å
19	S	30.6	Very low	30.7	Very low	51 Å²	51	72 Å²	72	36%	0.357	43%	0.434	S	S	.	.	H	α-helix	trans	-65.7	-38.3	179.5	52.1	0	0	0	0	112.5	G15 L16 T22 E23	G15-S19 WeakPolarHBondContact O-CB 3.44Å; G15-S19 PolarHBondContact O-N 3.14Å; G15-S19 PolarHBondContact O-OG 3.01Å; L16-S19 PolarHBondContact O-OG 3.46Å; S19-T22 WeakPolarHBondContact CA-OG1 3.46Å; S19-T22 PolarHBondContact O-N 3.31Å; S19-T22 PolarHBondContact O-OG1 2.97Å; S19-E23 PolarHBondContact O-N 3.43Å
20	C	31.9	Very low	30.9	Very low	42 Å²	42	75 Å²	75	28%	0.284	45%	0.449	S	S	.	.	H	α-helix	trans	-67	-40.8	171	-146.4	0	0	0	0	111.2	L16 L18 T22 E23 I24	L16-C20 PolarHBondContact O-N 3.41Å; L18-C20 VanDerWaalsContact C-N 3.34Å; L18-C20 PolarHBondContact O-N 3.27Å; C20-T22 VanDerWaalsContact C-N 3.32Å; C20-T22 PolarHBondContact O-N 2.96Å; C20-E23 PolarHBondContact O-N 3Å; C20-I24 WeakPolarHBondContact O-CD1 3.31Å; C20-I24 WeakPolarHBondContact O-CG1 3.13Å; C20-I24 PolarHBondContact O-N 3.48Å
21	L	31.4	Very low	31.1	Very low	69 Å²	69	74.3 Å²	74.3	36%	0.361	44%	0.44	S	S	.	.	H	α-helix	trans	-67.2	-24.4	173.8	-81	169.8	0	0	0	113.8	F17 L18 I24 T25	F17-L21 HydrophobicContact CD1-CD1 3.79Å; F17-L21 HydrophobicContact CD1-CG 4.32Å; F17-L21 HydrophobicContact CE1-CD1 4.35Å; F17-L21 VanDerWaalsContact O-CB 3.28Å; F17-L21 WeakPolarHBondContact O-CB 3.31Å; F17-L21 WeakPolarHBondContact O-CG 3.14Å; F17-L21 PolarHBondContact O-N 3.16Å; L18-L21 CarbonylContact O-C 3.56Å; L18-L21 WeakPolarHBondContact O-CA 3.34Å; L18-L21 PolarHBondContact O-N 3.17Å; L18-L21 VanDerWaalsContact O-N 3.16Å; L21-I24 HydrophobicContact CD2-CB 4.4Å; L21-I24 HydrophobicContact CD2-CD1 4.25Å; L21-I24 HydrophobicContact CD2-CG2 4.41Å; L21-I24 CarbonylContact O-C 3.34Å; L21-I24 WeakPolarHBondContact O-CA 3.47Å; L21-I24 PolarHBondContact O-N 2.93Å; L21-I24 VanDerWaalsContact O-N 3.17Å; L21-T25 WeakPolarHBondContact O-CG2 3.34Å; L21-T25 PolarHBondContact O-N 3.47Å; L21-T25 PolarHBondContact O-OG1 3.26Å
22	T	31.6	Very low	31.1	Very low	88 Å²	88	72.8 Å²	72.8	54%	0.54	44%	0.444	S	S	.	.	H	α-helix	trans	-76.5	-30.6	176.7	45.1	0	0	0	0	112.9	L18 S19 C20 I24 T25 G26	L18-T22 WeakPolarHBondContact O-CG2 3.16Å; L18-T22 PolarHBondContact O-N 3.11Å; L18-T22 PolarHBondContact O-OG1 3.04Å; S19-T22 WeakPolarHBondContact CA-OG1 3.46Å; S19-T22 PolarHBondContact O-N 3.31Å; S19-T22 PolarHBondContact O-OG1 2.97Å; C20-T22 VanDerWaalsContact C-N 3.32Å; C20-T22 PolarHBondContact O-N 2.96Å; T22-I24 VanDerWaalsContact C-N 3.28Å; T22-T25 WeakPolarHBondContact CA-OG1 3.43Å; T22-T25 PolarHBondContact O-OG1 3.5Å; T22-G26 PolarHBondContact O-N 2.89Å
23	E	33.2	Very low	31.2	Very low	103 Å²	103	79.1 Å²	79.1	48%	0.481	46%	0.459	S	S	.	.	H	α-helix	trans	-66.4	-34.9	164.2	-66.8	-165.7	146.9	0	0	110.7	S19 C20 L27 K96	S19-E23 PolarHBondContact O-N 3.43Å; C20-E23 PolarHBondContact O-N 3Å; E23-L27 PolarHBondContact O-N 2.99Å; E23-K96 IonicContact OE1-NZ 3.24Å; E23-K96 PolarHBondContact OE1-NZ 3.32Å; E23-K96 IonicContact OE2-NZ 2.66Å; E23-K96 PolarHBondContact OE2-NZ 3.26Å
24	I	37	Very low	31.4	Very low	49 Å²	49	86.4 Å²	86.4	25%	0.251	49%	0.487	S	S	.	.	H	α-helix	trans	-74.3	-37.3	178.1	-64	163.9	0	0	0	112.2	C20 L21 T22 L27 C28	C20-I24 WeakPolarHBondContact O-CD1 3.31Å; C20-I24 WeakPolarHBondContact O-CG1 3.13Å; C20-I24 PolarHBondContact O-N 3.48Å; L21-I24 HydrophobicContact CD2-CB 4.4Å; L21-I24 HydrophobicContact CD2-CD1 4.25Å; L21-I24 HydrophobicContact CD2-CG2 4.41Å; L21-I24 CarbonylContact O-C 3.34Å; L21-I24 WeakPolarHBondContact O-CA 3.47Å; L21-I24 PolarHBondContact O-N 2.93Å; L21-I24 VanDerWaalsContact O-N 3.17Å; T22-I24 VanDerWaalsContact C-N 3.28Å; I24-L27 CarbonylContact O-C 3.56Å; I24-L27 WeakPolarHBondContact O-CA 3.24Å; I24-L27 WeakPolarHBondContact O-CB 3.32Å; I24-L27 PolarHBondContact O-N 3.48Å; I24-C28 PolarHBondContact O-N 3.08Å; I24-C28 PolarHBondContact O-SG 3.43Å
25	T	32.8	Very low	31.8	Very low	82 Å²	82	88.9 Å²	88.9	50%	0.503	49%	0.493	S	S	.	.	H	α-helix	trans	-72.5	-31.2	178.5	53.1	0	0	0	0	112.1	L21 T22 L27 C28 S29	L21-T25 WeakPolarHBondContact O-CG2 3.34Å; L21-T25 PolarHBondContact O-N 3.47Å; L21-T25 PolarHBondContact O-OG1 3.26Å; T22-T25 WeakPolarHBondContact CA-OG1 3.43Å; T22-T25 PolarHBondContact O-OG1 3.5Å; T25-L27 PolarHBondContact O-N 2.87Å; T25-C28 PolarHBondContact O-N 3.46Å; T25-S29 PolarHBondContact O-N 3.47Å; T25-S29 VanDerWaalsContact O-N 3.08Å
26	G	29.6	Very low	31.9	Very low	43 Å²	43	94 Å²	94	44%	0.443	52%	0.515	S	S	.	.	H	α-helix	trans	-62.1	-22.4	165.3	0	0	0	0	0	113.9	T22 S29	T22-G26 PolarHBondContact O-N 2.89Å; G26-S29 PolarHBondContact O-OG 2.77Å
27	L	34.4	Very low	31.6	Very low	74 Å²	74	96.1 Å²	96.1	39%	0.387	53%	0.533	S	S	.	.	H	α-helix	trans	-91	-34.8	170.8	-77	160.9	0	0	0	112.7	E23 I24 T25 S29 L30	E23-L27 PolarHBondContact O-N 2.99Å; I24-L27 CarbonylContact O-C 3.56Å; I24-L27 WeakPolarHBondContact O-CA 3.24Å; I24-L27 WeakPolarHBondContact O-CB 3.32Å; I24-L27 PolarHBondContact O-N 3.48Å; T25-L27 PolarHBondContact O-N 2.87Å; L27-S29 PolarHBondContact O-N 2.94Å; L27-L30 WeakPolarHBondContact O-CB 3.43Å; L27-L30 PolarHBondContact O-N 3.37Å
28	C	29.7	Very low	31.8	Very low	63 Å²	63	99.3 Å²	99.3	43%	0.426	55%	0.546	S	S	.	.	H	α-helix	trans	-67.5	-33.2	179.2	-68.1	0	0	0	0	112.9	I24 T25 L30 Q31	I24-C28 PolarHBondContact O-N 3.08Å; I24-C28 PolarHBondContact O-SG 3.43Å; T25-C28 PolarHBondContact O-N 3.46Å; C28-L30 PolarHBondContact O-N 3.04Å; C28-Q31 PolarHBondContact O-N 3.25Å
29	S	28	Very low	31.8	Very low	88 Å²	88	95.6 Å²	95.6	62%	0.615	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-27.7	173.9	60.8	0	0	0	0	113	T25 G26 L27	T25-S29 PolarHBondContact O-N 3.47Å; T25-S29 VanDerWaalsContact O-N 3.08Å; G26-S29 PolarHBondContact O-OG 2.77Å; L27-S29 PolarHBondContact O-N 2.94Å
30	L	30.9	Very low	31.9	Very low	135 Å²	135	99.5 Å²	99.5	71%	0.707	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-7.9	175	-90.9	153.9	0	0	0	113.8	L27 C28	L27-L30 WeakPolarHBondContact O-CB 3.43Å; L27-L30 PolarHBondContact O-N 3.37Å; C28-L30 PolarHBondContact O-N 3.04Å
31	Q	32.1	Very low	32.2	Very low	78 Å²	78	100 Å²	100	36%	0.364	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110.7	-2	-168	-113.8	177.9	-27.8	0	0	116.1	C28 K33	C28-Q31 PolarHBondContact O-N 3.25Å; Q31-K33 PolarHBondContact O-N 2.82Å
32	T	27.8	Very low	32.9	Very low	128 Å²	128	101.8 Å²	101.8	79%	0.785	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-7.5	177.6	-21.4	0	0	0	0	114.6
33	K	30.8	Very low	34	Very low	199 Å²	199	102.5 Å²	102.5	87%	0.865	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.6	-3	-178.8	-74.7	-169.9	175.9	-177	0	115.4	Q31	Q31-K33 PolarHBondContact O-N 2.82Å
34	F	32.1	Very low	35.5	Very low	168 Å²	168	99.5 Å²	99.5	74%	0.737	55%	0.547	S	S	*	.	S	Bend	trans	-127.2	150.3	177.9	-79.4	-91.6	0	0	0	111
35	L	34.9	Very low	37.2	Very low	81 Å²	81	102 Å²	102	42%	0.424	56%	0.561	S	S	.	*			trans	82.8	42.9	176.5	-54	167.6	0	0	0	118	S37	L35-S37 VanDerWaalsContact C-N 3.3Å; L35-S37 PolarHBondContact O-N 2.88Å
36	T	30.9	Very low	39.6	Very low	154 Å²	154	102.1 Å²	102.1	95%	0.945	56%	0.559	S	S	*	*			trans	-80.2	73.9	147.3	39.9	0	0	0	0	110.8
37	S	30.7	Very low	42.2	Very low	76 Å²	76	100.5 Å²	100.5	53%	0.531	54%	0.54	S	S	.	.			trans	-130.5	106.3	171.4	-176	0	0	0	0	110.5	L35	L35-S37 VanDerWaalsContact C-N 3.3Å; L35-S37 PolarHBondContact O-N 2.88Å
38	K	35.4	Very low	44.6	Very low	206 Å²	206	100.3 Å²	100.3	90%	0.896	54%	0.536	S	S	*	.			trans	-63.8	155.5	163.9	-80.9	-168.9	172.5	-168.8	0	109.6	R43	K38-R43 PolarHBondContact O-NH1 2.85Å
39	G	31.3	Very low	47.3	Very low	31 Å²	31	104.4 Å²	104.4	32%	0.32	55%	0.549	S	S	.	.			trans	152	105.7	168.6	0	0	0	0	0	112.3	R43	G39-R43 VanDerWaalsContact CA-NH1 3.28Å; G39-R43 WeakPolarHBondContact O-CD 3.48Å; G39-R43 PolarHBondContact O-NH1 3.43Å
40	N	33.1	Very low	50	Low	132 Å²	132	101.6 Å²	101.6	71%	0.706	53%	0.527	S	S	*	.				42.2	134.6	125.6	-52.5	27	0	0	0	118.7	S42	N40-S42 VanDerWaalsContact C-N 3.29Å; N40-S42 PolarHBondContact O-N 3.4Å
41	L	38.2	Very low	52.6	Low	54 Å²	54	95.2 Å²	95.2	28%	0.283	49%	0.493	S	S	.	.	S	Bend	trans	-73.3	-7.2	-165.7	-145	72.7	0	0	0	115.9	R43 S911	L41-R43 PolarHBondContact O-N 3.42Å; L41-S911 WeakPolarHBondContact CD2-OG 3.49Å
42	S	45.8	Very low	55.2	Low	105 Å²	105	95 Å²	95	73%	0.734	50%	0.495	S	S	*	.			trans	-75	29.2	-180	55.4	0	0	0	0	114.5	N40	N40-S42 VanDerWaalsContact C-N 3.29Å; N40-S42 PolarHBondContact O-N 3.4Å
43	R	55.2	Low	58.1	Low	103 Å²	103	90.6 Å²	90.6	39%	0.389	47%	0.469	S	S	.	.			trans	-112.3	6.3	-161.8	-96	178.1	166.4	178.9	-7.2	116.3	K38 G39 L41	K38-R43 PolarHBondContact O-NH1 2.85Å; G39-R43 VanDerWaalsContact CA-NH1 3.28Å; G39-R43 WeakPolarHBondContact O-CD 3.48Å; G39-R43 PolarHBondContact O-NH1 3.43Å; L41-R43 PolarHBondContact O-N 3.42Å
44	H	64.1	Low	60.6	Low	40 Å²	40	88.8 Å²	88.8	19%	0.185	47%	0.469	C	S	.	.	H	α-helix	trans	-80	-24.5	178.9	-72.9	-80.6	0	0	0	113.4	L47 K48 L79	H44-L47 PolarHBondContact O-N 2.93Å; H44-K48 WeakPolarHBondContact O-CG 3.46Å; H44-K48 PolarHBondContact O-N 2.87Å; H44-L79 HydrophobicContact CB-CD2 4.14Å
45	D	72.8	Confident	63.3	Low	101 Å²	101	87.2 Å²	87.2	54%	0.54	46%	0.462	S	S	.	.	H	α-helix	trans	-76.1	-38.8	-177	-62.5	-38.5	0	0	0	112.5	L47 K48 E49	D45-L47 PolarHBondContact O-N 2.91Å; D45-K48 WeakPolarHBondContact O-CB 3.45Å; D45-K48 PolarHBondContact O-N 3.25Å; D45-K48 WeakPolarHBondContact OD1-CD 3.44Å; D45-K48 WeakPolarHBondContact OD1-CE 3.4Å; D45-K48 IonicContact OD1-NZ 3.84Å; D45-K48 PolarHBondContact OD1-NZ 2.95Å; D45-E49 PolarHBondContact O-N 3.41Å
46	D	83.6	Confident	65.8	Low	85 Å²	85	86.1 Å²	86.1	46%	0.455	46%	0.456	S	S	.	.	H	α-helix	trans	-48.6	-44	166	-57.1	4.2	0	0	0	111.5	E49 M50	D46-E49 PolarHBondContact O-N 3.1Å; D46-M50 WeakPolarHBondContact O-CB 3.33Å; D46-M50 VanDerWaalsContact O-CG 3.25Å; D46-M50 WeakPolarHBondContact O-CG 3.39Å; D46-M50 PolarHBondContact O-N 3.3Å
47	L	84.4	Confident	68.5	Low	10 Å²	10	82.6 Å²	82.6	5%	0.052	44%	0.438	C	S	.	.	H	α-helix	trans	-73.3	-34.1	-178.6	-65.8	173.3	0	0	0	112.1	H44 D45 L51 A62 R65 I66 M69 L79	H44-L47 PolarHBondContact O-N 2.93Å; D45-L47 PolarHBondContact O-N 2.91Å; L47-L51 WeakPolarHBondContact O-CB 3.45Å; L47-L51 WeakPolarHBondContact O-CG 3.48Å; L47-L51 PolarHBondContact O-N 3.02Å; L47-A62 HydrophobicContact CD2-CB 4.15Å; L47-R65 HydrophobicContact CD2-CB 4.03Å; L47-I66 HydrophobicContact CD1-CG1 4.19Å; L47-M69 HydrophobicContact CD1-CE 3.49Å; L47-M69 VanDerWaalsContact CD1-CE 3.49Å; L47-M69 HydrophobicContact CD1-SD 4.45Å; L47-L79 HydrophobicContact CB-CD1 4.37Å; L47-L79 HydrophobicContact CB-CD2 4.49Å; L47-L79 HydrophobicContact CD1-CD1 4.19Å
48	K	84.9	Confident	71.2	Confident	70 Å²	70	81.6 Å²	81.6	30%	0.304	43%	0.426	S	S	.	.	H	α-helix	trans	-63.9	-46.5	171.4	-67	167.5	-161	163.8	0	110.4	H44 D45 M50 L51 D52 L79 A82	H44-K48 WeakPolarHBondContact O-CG 3.46Å; H44-K48 PolarHBondContact O-N 2.87Å; D45-K48 WeakPolarHBondContact O-CB 3.45Å; D45-K48 PolarHBondContact O-N 3.25Å; D45-K48 WeakPolarHBondContact OD1-CD 3.44Å; D45-K48 WeakPolarHBondContact OD1-CE 3.4Å; D45-K48 IonicContact OD1-NZ 3.84Å; D45-K48 PolarHBondContact OD1-NZ 2.95Å; K48-M50 PolarHBondContact O-N 3.08Å; K48-L51 PolarHBondContact O-N 3.18Å; K48-D52 WeakPolarHBondContact O-CB 3.32Å; K48-D52 PolarHBondContact O-N 3.22Å; K48-L79 HydrophobicContact CD-CD2 4.41Å; K48-L79 HydrophobicContact CG-CD2 3.64Å; K48-A82 HydrophobicContact CG-CB 4.49Å
49	E	85.5	Confident	73.7	Confident	149 Å²	149	73 Å²	73	70%	0.696	39%	0.389	S	S	*	.	H	α-helix	trans	-62.4	-44.4	177.8	-168.7	-176.5	170.1	0	0	111.8	D45 D46 L51 D52 S53	D45-E49 PolarHBondContact O-N 3.41Å; D46-E49 PolarHBondContact O-N 3.1Å; E49-L51 VanDerWaalsContact C-N 3.28Å; E49-L51 PolarHBondContact O-N 3.49Å; E49-D52 PolarHBondContact O-N 2.97Å; E49-S53 WeakPolarHBondContact O-CB 3.34Å; E49-S53 PolarHBondContact O-N 3.35Å
50	M	85.7	Confident	76.4	Confident	29 Å²	29	73.1 Å²	73.1	14%	0.143	38%	0.382	C	S	.	.	H	α-helix	trans	-62.9	-31.1	175	-70.9	176.9	74.3	0	0	113.2	D46 K48 L58 K59 E61 A62	D46-M50 WeakPolarHBondContact O-CB 3.33Å; D46-M50 VanDerWaalsContact O-CG 3.25Å; D46-M50 WeakPolarHBondContact O-CG 3.39Å; D46-M50 PolarHBondContact O-N 3.3Å; K48-M50 PolarHBondContact O-N 3.08Å; M50-L58 HydrophobicContact CB-CB 4.43Å; M50-L58 HydrophobicContact CE-CD2 4.25Å; M50-L58 CarbonylContact O-C 3.48Å; M50-K59 PolarHBondContact O-N 3.11Å; M50-E61 HydrophobicContact CE-CB 3.89Å; M50-E61 HydrophobicContact CE-CG 4.17Å; M50-A62 HydrophobicContact CB-CB 3.73Å; M50-A62 HydrophobicContact CE-CB 4.43Å
51	L	86.1	Confident	79	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-77.7	-33.2	174.7	-75.6	174.8	0	0	0	113.5	L47 K48 E49 K59 A62 M63 I66 A82 V83 N86	L47-L51 WeakPolarHBondContact O-CB 3.45Å; L47-L51 WeakPolarHBondContact O-CG 3.48Å; L47-L51 PolarHBondContact O-N 3.02Å; K48-L51 PolarHBondContact O-N 3.18Å; E49-L51 VanDerWaalsContact C-N 3.28Å; E49-L51 PolarHBondContact O-N 3.49Å; L51-K59 VanDerWaalsContact O-CE 3.28Å; L51-K59 WeakPolarHBondContact O-CE 3.49Å; L51-A62 HydrophobicContact CD2-CB 4.01Å; L51-A62 HydrophobicContact CG-CB 3.99Å; L51-M63 HydrophobicContact CD2-CG 3.86Å; L51-M63 HydrophobicContact CD2-SD 3.7Å; L51-I66 HydrophobicContact CD1-CD1 3.76Å; L51-I66 HydrophobicContact CG-CD1 4.42Å; L51-A82 HydrophobicContact CB-CB 4.38Å; L51-A82 HydrophobicContact CD1-CB 3.91Å; L51-V83 HydrophobicContact CD1-CG2 3.76Å; L51-N86 PolarHBondContact O-ND2 3.01Å
52	D	86.5	Confident	81.5	Confident	74 Å²	74	68.1 Å²	68.1	40%	0.396	35%	0.353	S	S	.	.	H	α-helix	trans	-84	-19.3	178.7	-88.3	-18.7	0	0	0	113.6	K48 E49 K85	K48-D52 WeakPolarHBondContact O-CB 3.32Å; K48-D52 PolarHBondContact O-N 3.22Å; E49-D52 PolarHBondContact O-N 2.97Å; D52-K85 VanDerWaalsContact CG-NZ 3.26Å; D52-K85 VanDerWaalsContact OD1-CD 3.3Å; D52-K85 WeakPolarHBondContact OD1-CD 3.48Å; D52-K85 VanDerWaalsContact OD1-CE 3.26Å; D52-K85 WeakPolarHBondContact OD1-CE 3.06Å; D52-K85 IonicContact OD1-NZ 3.19Å; D52-K85 PolarHBondContact OD1-NZ 3.34Å; D52-K85 IonicContact OD2-NZ 2.86Å; D52-K85 PolarHBondContact OD2-NZ 3.18Å
53	S	87.9	Confident	83.6	Confident	36 Å²	36	63.1 Å²	63.1	25%	0.252	32%	0.318	S	S	.	.	S	Bend	trans	-55.2	143.1	173.1	-167.9	0	0	0	0	112.7	E49 K55 K59	E49-S53 WeakPolarHBondContact O-CB 3.34Å; E49-S53 PolarHBondContact O-N 3.35Å; S53-K55 PolarHBondContact O-N 2.94Å; S53-K55 VanDerWaalsContact O-N 3.12Å; S53-K59 WeakPolarHBondContact O-CE 3.22Å
54	N	84.2	Confident	85.2	Confident	160 Å²	160	60.8 Å²	60.8	86%	0.856	31%	0.311	S	S	*	.	S	Bend	trans	-72.2	-0.4	177.8	-76	-37.1	0	0	0	114.7
55	K	88.7	Confident	86.3	Confident	136 Å²	136	63 Å²	63	59%	0.591	32%	0.317	S	S	*	.			trans	-96.2	110.4	-178.6	-65.5	179.6	-179.7	176.8	0	111.3	S53 S57 L58 K59	S53-K55 PolarHBondContact O-N 2.94Å; S53-K55 VanDerWaalsContact O-N 3.12Å; K55-S57 PolarHBondContact O-N 3.47Å; K55-L58 HydrophobicContact CB-CB 4.48Å; K55-L58 HydrophobicContact CB-CD1 4.15Å; K55-L58 HydrophobicContact CB-CG 4.18Å; K55-L58 HydrophobicContact CD-CD1 4.09Å; K55-L58 PolarHBondContact O-N 2.88Å; K55-K59 PolarHBondContact O-N 3.04Å
56	D	86.1	Confident	87.1	Confident	57 Å²	57	58.2 Å²	58.2	31%	0.305	29%	0.292	S	S	.	.	H	α-helix	trans	-57.1	-24.1	179	-79.6	-9.4	0	0	0	113.8	L60 C89 N91	D56-L60 WeakPolarHBondContact O-CB 3.39Å; D56-L60 PolarHBondContact O-N 3.43Å; D56-C89 PolarHBondContact OD1-SG 2.96Å; D56-C89 VanDerWaalsContact OD1-SG 3.35Å; D56-N91 HydrophobicContact CB-CB 4.26Å
57	S	87.3	Confident	87.2	Confident	80 Å²	80	55.6 Å²	55.6	56%	0.559	28%	0.279	S	S	*	.	H	α-helix	trans	-67.4	-40.5	173.6	51.6	0	0	0	0	113.4	K55 L60 E61	K55-S57 PolarHBondContact O-N 3.47Å; S57-L60 PolarHBondContact O-N 3.02Å; S57-E61 PolarHBondContact O-N 2.94Å
58	L	88.1	Confident	87.2	Confident	56 Å²	56	56.5 Å²	56.5	29%	0.293	29%	0.287	S	S	.	.	H	α-helix	trans	-69.6	-39.3	176.3	-65.1	176.9	0	0	0	110.8	M50 K55 L60 E61 A62	M50-L58 HydrophobicContact CB-CB 4.43Å; M50-L58 HydrophobicContact CE-CD2 4.25Å; M50-L58 CarbonylContact O-C 3.48Å; K55-L58 HydrophobicContact CB-CB 4.48Å; K55-L58 HydrophobicContact CB-CD1 4.15Å; K55-L58 HydrophobicContact CB-CG 4.18Å; K55-L58 HydrophobicContact CD-CD1 4.09Å; K55-L58 PolarHBondContact O-N 2.88Å; L58-L60 VanDerWaalsContact C-N 3.33Å; L58-L60 PolarHBondContact O-N 3.49Å; L58-E61 PolarHBondContact O-N 3.25Å; L58-A62 WeakPolarHBondContact O-CB 3.33Å; L58-A62 PolarHBondContact O-N 3.46Å
59	K	89.1	Confident	87	Confident	26 Å²	26	55 Å²	55	11%	0.113	28%	0.282	C	S	.	.	H	α-helix	trans	-59.7	-44.3	172.5	-58.6	-173.9	179.2	-162.4	0	111.9	M50 L51 S53 K55 A62 M63 N86 V94	M50-K59 PolarHBondContact O-N 3.11Å; L51-K59 VanDerWaalsContact O-CE 3.28Å; L51-K59 WeakPolarHBondContact O-CE 3.49Å; S53-K59 WeakPolarHBondContact O-CE 3.22Å; K55-K59 PolarHBondContact O-N 3.04Å; K59-A62 PolarHBondContact O-N 2.94Å; K59-M63 WeakPolarHBondContact O-CB 3.48Å; K59-M63 VanDerWaalsContact O-CG 3.3Å; K59-M63 WeakPolarHBondContact O-CG 3.22Å; K59-M63 PolarHBondContact O-N 2.93Å; K59-N86 VanDerWaalsContact CD-OD1 3.31Å; K59-N86 WeakPolarHBondContact CD-OD1 3.42Å; K59-N86 WeakPolarHBondContact CE-OD1 3.29Å; K59-N86 PolarHBondContact NZ-OD1 2.88Å; K59-V94 HydrophobicContact CB-CG1 4.26Å; K59-V94 HydrophobicContact CB-CG2 4.29Å
60	L	88	Confident	87.1	Confident	33 Å²	33	50 Å²	50	17%	0.173	26%	0.259	C	S	.	.	H	α-helix	trans	-63.7	-42.4	178.7	179.8	153.4	0	0	0	111.4	D56 S57 L58 K64 E93 V94	D56-L60 WeakPolarHBondContact O-CB 3.39Å; D56-L60 PolarHBondContact O-N 3.43Å; S57-L60 PolarHBondContact O-N 3.02Å; L58-L60 VanDerWaalsContact C-N 3.33Å; L58-L60 PolarHBondContact O-N 3.49Å; L60-K64 HydrophobicContact CD2-CD 3.86Å; L60-K64 WeakPolarHBondContact O-CB 3.11Å; L60-K64 WeakPolarHBondContact O-CG 3.24Å; L60-K64 PolarHBondContact O-N 3.39Å; L60-E93 HydrophobicContact CD1-CB 3.88Å; L60-V94 HydrophobicContact CB-CG2 3.78Å
61	E	87.3	Confident	87	Confident	80 Å²	80	52.8 Å²	52.8	37%	0.374	29%	0.288	S	S	.	.	H	α-helix	trans	-66.5	-46.1	174.7	-165.7	-172.1	171	0	0	111.8	M50 S57 L58 M63 K64 R65	M50-E61 HydrophobicContact CE-CB 3.89Å; M50-E61 HydrophobicContact CE-CG 4.17Å; S57-E61 PolarHBondContact O-N 2.94Å; L58-E61 PolarHBondContact O-N 3.25Å; E61-M63 PolarHBondContact O-N 2.71Å; E61-K64 PolarHBondContact O-N 2.69Å; E61-R65 WeakPolarHBondContact O-CG 3.41Å; E61-R65 PolarHBondContact O-N 3.21Å; E61-R65 IonicContact OE1-CZ 2.7Å; E61-R65 VanDerWaalsContact OE1-CZ 3.24Å; E61-R65 IonicContact OE1-NE 2.71Å; E61-R65 PolarHBondContact OE1-NE 3.45Å; E61-R65 IonicContact OE1-NH2 3.85Å; E61-R65 PolarHBondContact OE1-NH2 2.9Å; E61-R65 IonicContact OE2-NH2 3.94Å
62	A	89.9	Confident	86.8	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-57.8	-47.2	176.2	0	0	0	0	0	111.5	L47 M50 L51 L58 K59 K64 R65 I66	L47-A62 HydrophobicContact CD2-CB 4.15Å; M50-A62 HydrophobicContact CB-CB 3.73Å; M50-A62 HydrophobicContact CE-CB 4.43Å; L51-A62 HydrophobicContact CD2-CB 4.01Å; L51-A62 HydrophobicContact CG-CB 3.99Å; L58-A62 WeakPolarHBondContact O-CB 3.33Å; L58-A62 PolarHBondContact O-N 3.46Å; K59-A62 PolarHBondContact O-N 2.94Å; A62-K64 PolarHBondContact O-N 3.07Å; A62-R65 WeakPolarHBondContact O-CB 3.4Å; A62-R65 PolarHBondContact O-N 3.44Å; A62-I66 WeakPolarHBondContact O-CB 3.32Å; A62-I66 WeakPolarHBondContact O-CD1 3.41Å; A62-I66 WeakPolarHBondContact O-CG1 3.28Å; A62-I66 PolarHBondContact O-N 3.44Å
63	M	89.6	Confident	86.5	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.7	-38.3	175.9	-73.2	-53.8	-51.5	0	0	112.8	L51 K59 E61 I66 V67 V83 V94 L97 V98	L51-M63 HydrophobicContact CD2-CG 3.86Å; L51-M63 HydrophobicContact CD2-SD 3.7Å; K59-M63 WeakPolarHBondContact O-CB 3.48Å; K59-M63 VanDerWaalsContact O-CG 3.3Å; K59-M63 WeakPolarHBondContact O-CG 3.22Å; K59-M63 PolarHBondContact O-N 2.93Å; E61-M63 PolarHBondContact O-N 2.71Å; M63-I66 PolarHBondContact O-N 3.21Å; M63-I66 HydrophobicContact SD-CD1 4.17Å; M63-V67 WeakPolarHBondContact O-CG2 3.47Å; M63-V67 PolarHBondContact O-N 3.2Å; M63-V83 HydrophobicContact CE-CG1 3.98Å; M63-V83 HydrophobicContact SD-CG1 3.98Å; M63-V83 HydrophobicContact SD-CG2 3.91Å; M63-V94 HydrophobicContact CG-CG1 4.5Å; M63-L97 HydrophobicContact CB-CB 3.81Å; M63-L97 HydrophobicContact CB-CD1 3.76Å; M63-L97 HydrophobicContact CB-CG 4.43Å; M63-L97 HydrophobicContact CE-CB 4.09Å; M63-L97 HydrophobicContact CG-CB 4.43Å; M63-V98 HydrophobicContact CE-CG2 4.04Å; M63-V98 HydrophobicContact CG-CG2 4.19Å; M63-V98 HydrophobicContact SD-CG2 3.95Å
64	K	88.9	Confident	86.3	Confident	54 Å²	54	63.5 Å²	63.5	24%	0.235	34%	0.34	C	S	.	.	H	α-helix	trans	-64.7	-40.6	173.3	-74.5	-179.7	-173.9	179.6	0	111.5	L60 E61 A62 A68 E93 L97	L60-K64 HydrophobicContact CD2-CD 3.86Å; L60-K64 WeakPolarHBondContact O-CB 3.11Å; L60-K64 WeakPolarHBondContact O-CG 3.24Å; L60-K64 PolarHBondContact O-N 3.39Å; E61-K64 PolarHBondContact O-N 2.69Å; A62-K64 PolarHBondContact O-N 3.07Å; K64-A68 WeakPolarHBondContact O-CB 3.05Å; K64-A68 PolarHBondContact O-N 3.25Å; K64-E93 IonicContact NZ-OE2 3.71Å; K64-E93 PolarHBondContact NZ-OE2 2.96Å; K64-L97 HydrophobicContact CG-CD1 3.71Å
65	R	87.8	Confident	86.2	Confident	87 Å²	87	60.1 Å²	60.1	33%	0.328	32%	0.322	S	S	.	.	H	α-helix	trans	-63	-43.5	173.3	-68	172.8	-178.2	-162.4	3.7	111.5	L47 E61 A62 A68 M69	L47-R65 HydrophobicContact CD2-CB 4.03Å; E61-R65 WeakPolarHBondContact O-CG 3.41Å; E61-R65 PolarHBondContact O-N 3.21Å; E61-R65 IonicContact OE1-CZ 2.7Å; E61-R65 VanDerWaalsContact OE1-CZ 3.24Å; E61-R65 IonicContact OE1-NE 2.71Å; E61-R65 PolarHBondContact OE1-NE 3.45Å; E61-R65 IonicContact OE1-NH2 3.85Å; E61-R65 PolarHBondContact OE1-NH2 2.9Å; E61-R65 IonicContact OE2-NH2 3.94Å; A62-R65 WeakPolarHBondContact O-CB 3.4Å; A62-R65 PolarHBondContact O-N 3.44Å; R65-A68 PolarHBondContact O-N 2.91Å; R65-M69 WeakPolarHBondContact O-CG 3.49Å; R65-M69 PolarHBondContact O-N 2.9Å
66	I	88.8	Confident	86	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.7	-48	179.3	-68.1	162	0	0	0	111.6	L47 L51 A62 M63 A68 M69 I70 A76 L79 V83 Y101	L47-I66 HydrophobicContact CD1-CG1 4.19Å; L51-I66 HydrophobicContact CD1-CD1 3.76Å; L51-I66 HydrophobicContact CG-CD1 4.42Å; A62-I66 WeakPolarHBondContact O-CB 3.32Å; A62-I66 WeakPolarHBondContact O-CD1 3.41Å; A62-I66 WeakPolarHBondContact O-CG1 3.28Å; A62-I66 PolarHBondContact O-N 3.44Å; M63-I66 PolarHBondContact O-N 3.21Å; M63-I66 HydrophobicContact SD-CD1 4.17Å; I66-A68 VanDerWaalsContact C-N 3.25Å; I66-A68 PolarHBondContact O-N 2.93Å; I66-M69 HydrophobicContact CG1-CE 4.1Å; I66-M69 WeakPolarHBondContact O-CB 3.49Å; I66-M69 PolarHBondContact O-N 2.96Å; I66-I70 HydrophobicContact CG2-CD1 4Å; I66-I70 WeakPolarHBondContact O-CG1 3.21Å; I66-I70 PolarHBondContact O-N 2.94Å; I66-A76 HydrophobicContact CG2-CB 4.33Å; I66-L79 HydrophobicContact CD1-CD1 3.68Å; I66-L79 HydrophobicContact CG1-CD1 3.62Å; I66-V83 HydrophobicContact CD1-CG2 4.31Å; I66-Y101 HydrophobicContact CG2-CD2 3.71Å; I66-Y101 HydrophobicContact CG2-CE2 3.83Å
67	V	86.4	Confident	86	Confident	31 Å²	31	52.7 Å²	52.7	19%	0.188	29%	0.292	C	S	.	.	H	α-helix	trans	-63.1	-34.3	176.1	173.9	0	0	0	0	111.2	M63 I70 A71 L97	M63-V67 WeakPolarHBondContact O-CG2 3.47Å; M63-V67 PolarHBondContact O-N 3.2Å; V67-I70 PolarHBondContact O-N 3.16Å; V67-A71 WeakPolarHBondContact O-CB 3.32Å; V67-A71 PolarHBondContact O-N 3.39Å; V67-L97 HydrophobicContact CG2-CD2 4.15Å
68	A	83.8	Confident	85.9	Confident	28 Å²	28	54.6 Å²	54.6	23%	0.231	30%	0.296	C	S	.	.	H	α-helix	trans	-68.9	-27	172.6	0	0	0	0	0	114.1	K64 R65 I66 R72	K64-A68 WeakPolarHBondContact O-CB 3.05Å; K64-A68 PolarHBondContact O-N 3.25Å; R65-A68 PolarHBondContact O-N 2.91Å; I66-A68 VanDerWaalsContact C-N 3.25Å; I66-A68 PolarHBondContact O-N 2.93Å; A68-R72 WeakPolarHBondContact O-CD 3.49Å; A68-R72 VanDerWaalsContact O-CG 3.27Å; A68-R72 WeakPolarHBondContact O-CG 3.19Å; A68-R72 PolarHBondContact O-N 2.57Å
69	M	82.2	Confident	85.9	Confident	39 Å²	39	52 Å²	52	19%	0.192	28%	0.282	C	S	.	.	H	α-helix	trans	-71.5	-44.3	170.1	-68.5	-169.2	-63.1	0	0	111.4	L47 R65 I66 A71 R72 G73 K74 L79	L47-M69 HydrophobicContact CD1-CE 3.49Å; L47-M69 VanDerWaalsContact CD1-CE 3.49Å; L47-M69 HydrophobicContact CD1-SD 4.45Å; R65-M69 WeakPolarHBondContact O-CG 3.49Å; R65-M69 PolarHBondContact O-N 2.9Å; I66-M69 HydrophobicContact CG1-CE 4.1Å; I66-M69 WeakPolarHBondContact O-CB 3.49Å; I66-M69 PolarHBondContact O-N 2.96Å; M69-A71 VanDerWaalsContact C-N 3.35Å; M69-A71 PolarHBondContact O-N 3.31Å; M69-R72 CarbonylContact O-C 3.43Å; M69-R72 WeakPolarHBondContact O-CA 3.36Å; M69-R72 WeakPolarHBondContact O-CB 3.3Å; M69-R72 PolarHBondContact O-N 3.36Å; M69-G73 PolarHBondContact O-N 3Å; M69-K74 HydrophobicContact CB-CB 4.3Å; M69-K74 PolarHBondContact O-N 3.32Å; M69-L79 HydrophobicContact CE-CD1 4.29Å
70	I	86	Confident	85.8	Confident	43 Å²	43	50.8 Å²	50.8	22%	0.221	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-42.2	177.2	-63.5	162.6	0	0	0	110.8	I66 V67 R72 G73 A76 Y101 Y105	I66-I70 HydrophobicContact CG2-CD1 4Å; I66-I70 WeakPolarHBondContact O-CG1 3.21Å; I66-I70 PolarHBondContact O-N 2.94Å; V67-I70 PolarHBondContact O-N 3.16Å; I70-R72 PolarHBondContact O-N 3.04Å; I70-G73 PolarHBondContact O-N 2.96Å; I70-A76 HydrophobicContact CD1-CB 4.33Å; I70-A76 HydrophobicContact CG1-CB 3.99Å; I70-Y101 HydrophobicContact CD1-CD2 3.59Å; I70-Y101 HydrophobicContact CD1-CE2 4.04Å; I70-Y105 HydrophobicContact CD1-CE2 3.76Å; I70-Y105 HydrophobicContact CG1-CE2 4.03Å
71	A	83.3	Confident	85.7	Confident	89 Å²	89	52.8 Å²	52.8	74%	0.736	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-17.9	175	0	0	0	0	0	113.8	V67 M69	V67-A71 WeakPolarHBondContact O-CB 3.32Å; V67-A71 PolarHBondContact O-N 3.39Å; M69-A71 VanDerWaalsContact C-N 3.35Å; M69-A71 PolarHBondContact O-N 3.31Å
72	R	83.6	Confident	85.7	Confident	185 Å²	185	49.6 Å²	49.6	70%	0.698	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	4.4	171.7	-69.7	170.9	178.7	-178.9	-0.4	113	A68 M69 I70 K74	A68-R72 WeakPolarHBondContact O-CD 3.49Å; A68-R72 VanDerWaalsContact O-CG 3.27Å; A68-R72 WeakPolarHBondContact O-CG 3.19Å; A68-R72 PolarHBondContact O-N 2.57Å; M69-R72 CarbonylContact O-C 3.43Å; M69-R72 WeakPolarHBondContact O-CA 3.36Å; M69-R72 WeakPolarHBondContact O-CB 3.3Å; M69-R72 PolarHBondContact O-N 3.36Å; I70-R72 PolarHBondContact O-N 3.04Å; R72-K74 VanDerWaalsContact C-N 3.33Å; R72-K74 PolarHBondContact O-N 2.99Å
73	G	79.8	Confident	85.6	Confident	67 Å²	67	49.6 Å²	49.6	69%	0.691	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	13.8	-179.2	0	0	0	0	0	115.2	M69 I70	M69-G73 PolarHBondContact O-N 3Å; I70-G73 PolarHBondContact O-N 2.96Å
74	K	83.9	Confident	85.5	Confident	83 Å²	83	50.4 Å²	50.4	36%	0.361	28%	0.284	S	S	.	.			trans	-81.2	145.3	174.9	-81.2	-170.8	165.7	-85	0	111.5	M69 R72 E930	M69-K74 HydrophobicContact CB-CB 4.3Å; M69-K74 PolarHBondContact O-N 3.32Å; R72-K74 VanDerWaalsContact C-N 3.33Å; R72-K74 PolarHBondContact O-N 2.99Å; K74-E930 IonicContact NZ-OE2 2.69Å
75	N	82.1	Confident	85.4	Confident	89 Å²	89	54.3 Å²	54.3	48%	0.476	30%	0.301	S	S	.	.			trans	-66.5	139	174.6	-67.7	-40.2	0	0	0	110.9	E932	N75-E932 PolarHBondContact ND2-OE2 3.4Å
76	A	84.6	Confident	85.4	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.008	29%	0.287	C	S	.	.			trans	-142	18.4	179.2	0	0	0	0	0	112.5	I66 I70 L79 Y101 Y105	I66-A76 HydrophobicContact CG2-CB 4.33Å; I70-A76 HydrophobicContact CD1-CB 4.33Å; I70-A76 HydrophobicContact CG1-CB 3.99Å; A76-L79 PolarHBondContact O-N 3.1Å; A76-Y101 HydrophobicContact CB-CE2 4.28Å; A76-Y101 PolarHBondContact O-OH 3.35Å; A76-Y105 HydrophobicContact CB-CE2 4.18Å; A76-Y105 PolarHBondContact N-OH 3.31Å; A76-Y105 VanDerWaalsContact N-OH 3.12Å
77	S	84.6	Confident	85.3	Confident	36 Å²	36	50.5 Å²	50.5	25%	0.252	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-62	-36.7	179	41	0	0	0	0	112.8	L79 F80	S77-L79 PolarHBondContact O-N 2.85Å; S77-F80 WeakPolarHBondContact O-CB 3.31Å; S77-F80 PolarHBondContact O-N 3.43Å
78	D	86.1	Confident	85.1	Confident	120 Å²	120	51.8 Å²	51.8	64%	0.642	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-58.2	-18.4	176.9	-70	1.2	0	0	0	114.4
79	L	87.3	Confident	85.2	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.005	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-89.6	-4.8	177.5	-60.7	177.4	0	0	0	113	H44 L47 K48 I66 M69 A76 S77 A82 V83	H44-L79 HydrophobicContact CB-CD2 4.14Å; L47-L79 HydrophobicContact CB-CD1 4.37Å; L47-L79 HydrophobicContact CB-CD2 4.49Å; L47-L79 HydrophobicContact CD1-CD1 4.19Å; K48-L79 HydrophobicContact CD-CD2 4.41Å; K48-L79 HydrophobicContact CG-CD2 3.64Å; I66-L79 HydrophobicContact CD1-CD1 3.68Å; I66-L79 HydrophobicContact CG1-CD1 3.62Å; M69-L79 HydrophobicContact CE-CD1 4.29Å; A76-L79 PolarHBondContact O-N 3.1Å; S77-L79 PolarHBondContact O-N 2.85Å; L79-A82 PolarHBondContact O-N 3.09Å; L79-A82 VanDerWaalsContact O-N 3.07Å; L79-V83 HydrophobicContact CB-CG2 4.29Å; L79-V83 WeakPolarHBondContact O-CG2 3.2Å; L79-V83 PolarHBondContact O-N 3.14Å
80	F	87.1	Confident	85.3	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-54.4	-44.3	-171.9	-164.7	-88.8	0	0	0	113.7	S77 A82 V83 V84 Y101 L102 Q109 L112 A113	S77-F80 WeakPolarHBondContact O-CB 3.31Å; S77-F80 PolarHBondContact O-N 3.43Å; F80-A82 PolarHBondContact O-N 3.42Å; F80-V83 PolarHBondContact O-N 2.99Å; F80-V84 HydrophobicContact CD1-CG2 3.63Å; F80-V84 HydrophobicContact CE1-CG2 3.38Å; F80-V84 HydrophobicContact CG-CG2 4.38Å; F80-V84 HydrophobicContact CZ-CG2 3.96Å; F80-V84 WeakPolarHBondContact O-CB 3.36Å; F80-V84 VanDerWaalsContact O-CG2 3.29Å; F80-V84 WeakPolarHBondContact O-CG2 3.44Å; F80-V84 PolarHBondContact O-N 2.91Å; F80-Y101 VanDerWaalsContact CA-OH 3.25Å; F80-Y101 WeakPolarHBondContact CA-OH 3.38Å; F80-Y101 HydrophobicContact CB-CE1 4.31Å; F80-Y101 HydrophobicContact CD2-CD1 4.45Å; F80-Y101 AromaticContact CD2-CE1 3.51Å; F80-Y101 HydrophobicContact CD2-CE1 3.51Å; F80-Y101 HydrophobicContact CE2-CE1 4.17Å; F80-Y101 HydrophobicContact CG-CE1 4.21Å; F80-Y101 PolarHBondContact N-OH 3.27Å; F80-Y101 VanDerWaalsContact N-OH 3.09Å; F80-L102 HydrophobicContact CD2-CD2 4.47Å; F80-L102 HydrophobicContact CE1-CD2 4.4Å; F80-L102 HydrophobicContact CE2-CD2 3.62Å; F80-L102 HydrophobicContact CZ-CD2 3.58Å; F80-Q109 HydrophobicContact CD1-CB 3.79Å; F80-Q109 HydrophobicContact CD1-CG 4.39Å; F80-Q109 HydrophobicContact CD2-CB 4.23Å; F80-Q109 HydrophobicContact CE1-CB 3.75Å; F80-Q109 HydrophobicContact CE2-CB 4.2Å; F80-Q109 HydrophobicContact CG-CB 4.05Å; F80-Q109 HydrophobicContact CG-CG 4.28Å; F80-Q109 HydrophobicContact CZ-CB 3.97Å; F80-L112 HydrophobicContact CD1-CB 3.76Å; F80-L112 HydrophobicContact CD1-CD1 4.09Å; F80-L112 HydrophobicContact CE1-CB 3.57Å; F80-A113 HydrophobicContact CE1-CB 4.5Å; F80-A113 HydrophobicContact CZ-CB 4.09Å
81	P	87.4	Confident	85.3	Confident	76 Å²	76	58.9 Å²	58.9	49%	0.494	33%	0.328	S	S	.	.	H	α-helix	trans	-62.5	-41.4	177	-20.9	32.9	0	0	0	113.4	V83 K85 L112	P81-V83 VanDerWaalsContact C-N 3.35Å; P81-K85 WeakPolarHBondContact O-CB 3.45Å; P81-K85 PolarHBondContact O-N 3.16Å; P81-K85 VanDerWaalsContact O-N 3.12Å; P81-L112 HydrophobicContact CG-CD1 4.13Å
82	A	86.8	Confident	85.3	Confident	12 Å²	12	58.6 Å²	58.6	10%	0.099	31%	0.313	C	S	.	.	H	α-helix	trans	-70.2	-32	179.7	0	0	0	0	0	112.2	K48 L51 L79 F80 N86	K48-A82 HydrophobicContact CG-CB 4.49Å; L51-A82 HydrophobicContact CB-CB 4.38Å; L51-A82 HydrophobicContact CD1-CB 3.91Å; L79-A82 PolarHBondContact O-N 3.09Å; L79-A82 VanDerWaalsContact O-N 3.07Å; F80-A82 PolarHBondContact O-N 3.42Å; A82-N86 PolarHBondContact O-ND2 3.41Å
83	V	88.6	Confident	85.3	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-76.5	-42.8	175.2	179	0	0	0	0	111.4	L51 M63 I66 L79 F80 P81 K85 N86 V98 Y101	L51-V83 HydrophobicContact CD1-CG2 3.76Å; M63-V83 HydrophobicContact CE-CG1 3.98Å; M63-V83 HydrophobicContact SD-CG1 3.98Å; M63-V83 HydrophobicContact SD-CG2 3.91Å; I66-V83 HydrophobicContact CD1-CG2 4.31Å; L79-V83 HydrophobicContact CB-CG2 4.29Å; L79-V83 WeakPolarHBondContact O-CG2 3.2Å; L79-V83 PolarHBondContact O-N 3.14Å; F80-V83 PolarHBondContact O-N 2.99Å; P81-V83 VanDerWaalsContact C-N 3.35Å; V83-K85 VanDerWaalsContact C-N 3.32Å; V83-K85 PolarHBondContact O-N 3.07Å; V83-N86 PolarHBondContact O-N 2.83Å; V83-V98 HydrophobicContact CG1-CB 4.34Å; V83-V98 HydrophobicContact CG1-CG1 3.93Å; V83-V98 HydrophobicContact CG1-CG2 4.14Å; V83-Y101 HydrophobicContact CB-CD1 3.9Å; V83-Y101 HydrophobicContact CB-CE1 3.76Å; V83-Y101 HydrophobicContact CB-CG 4.49Å; V83-Y101 HydrophobicContact CG1-CD1 3.34Å; V83-Y101 HydrophobicContact CG1-CD2 4.49Å; V83-Y101 HydrophobicContact CG1-CE1 3.77Å; V83-Y101 HydrophobicContact CG1-CG 3.76Å; V83-Y101 HydrophobicContact CG2-CD1 4.32Å; V83-Y101 HydrophobicContact CG2-CE1 4.09Å; V83-Y101 HydrophobicContact CG2-CE2 4.32Å
84	V	87.2	Confident	85.6	Confident	17 Å²	17	51.1 Å²	51.1	10%	0.103	27%	0.268	C	S	.	.	H	α-helix	trans	-56.8	-43.3	175	163.8	0	0	0	0	111.8	F80 N86 V87 L102 L115	F80-V84 HydrophobicContact CD1-CG2 3.63Å; F80-V84 HydrophobicContact CE1-CG2 3.38Å; F80-V84 HydrophobicContact CG-CG2 4.38Å; F80-V84 HydrophobicContact CZ-CG2 3.96Å; F80-V84 WeakPolarHBondContact O-CB 3.36Å; F80-V84 VanDerWaalsContact O-CG2 3.29Å; F80-V84 WeakPolarHBondContact O-CG2 3.44Å; F80-V84 PolarHBondContact O-N 2.91Å; V84-N86 PolarHBondContact O-N 3.28Å; V84-V87 WeakPolarHBondContact O-CB 3.42Å; V84-V87 WeakPolarHBondContact O-CG2 3.2Å; V84-V87 PolarHBondContact O-N 3.07Å; V84-V87 VanDerWaalsContact O-N 3.11Å; V84-L102 HydrophobicContact CG2-CD2 3.84Å; V84-L115 HydrophobicContact CG1-CB 4.32Å
85	K	86.4	Confident	85.7	Confident	136 Å²	136	48.4 Å²	48.4	59%	0.591	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-26.3	175.8	-173.9	175.5	173.1	-173.4	0	113.2	D52 P81 V83	D52-K85 VanDerWaalsContact CG-NZ 3.26Å; D52-K85 VanDerWaalsContact OD1-CD 3.3Å; D52-K85 WeakPolarHBondContact OD1-CD 3.48Å; D52-K85 VanDerWaalsContact OD1-CE 3.26Å; D52-K85 WeakPolarHBondContact OD1-CE 3.06Å; D52-K85 IonicContact OD1-NZ 3.19Å; D52-K85 PolarHBondContact OD1-NZ 3.34Å; D52-K85 IonicContact OD2-NZ 2.86Å; D52-K85 PolarHBondContact OD2-NZ 3.18Å; P81-K85 WeakPolarHBondContact O-CB 3.45Å; P81-K85 PolarHBondContact O-N 3.16Å; P81-K85 VanDerWaalsContact O-N 3.12Å; V83-K85 VanDerWaalsContact C-N 3.32Å; V83-K85 PolarHBondContact O-N 3.07Å
86	N	87.8	Confident	85.9	Confident	6 Å²	6	48.3 Å²	48.3	3%	0.032	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	0.7	-177.1	-77.2	-64.7	0	0	0	115.2	L51 K59 A82 V83 V84 A88 C89 V98	L51-N86 PolarHBondContact O-ND2 3.01Å; K59-N86 VanDerWaalsContact CD-OD1 3.31Å; K59-N86 WeakPolarHBondContact CD-OD1 3.42Å; K59-N86 WeakPolarHBondContact CE-OD1 3.29Å; K59-N86 PolarHBondContact NZ-OD1 2.88Å; A82-N86 PolarHBondContact O-ND2 3.41Å; V83-N86 PolarHBondContact O-N 2.83Å; V84-N86 PolarHBondContact O-N 3.28Å; N86-A88 PolarHBondContact O-N 3.47Å; N86-A88 VanDerWaalsContact O-N 3.16Å; N86-C89 WeakPolarHBondContact O-CB 3.28Å; N86-C89 PolarHBondContact O-N 3.41Å; N86-V98 HydrophobicContact CB-CG2 4.3Å
87	V	85.7	Confident	86	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.012	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.5	175.1	178.1	0	0	0	0	112.5	V84 V98 Y99 L102 T119 F120	V84-V87 WeakPolarHBondContact O-CB 3.42Å; V84-V87 WeakPolarHBondContact O-CG2 3.2Å; V84-V87 PolarHBondContact O-N 3.07Å; V84-V87 VanDerWaalsContact O-N 3.11Å; V87-V98 HydrophobicContact CB-CG1 4.24Å; V87-V98 HydrophobicContact CG2-CG1 3.45Å; V87-V98 VanDerWaalsContact CG2-CG1 3.45Å; V87-Y99 HydrophobicContact CG1-CE1 4.18Å; V87-L102 HydrophobicContact CG2-CD1 3.56Å; V87-T119 HydrophobicContact CG1-CG2 3.81Å; V87-F120 HydrophobicContact CG1-CE1 4.42Å; V87-F120 HydrophobicContact CG1-CZ 4.36Å
88	A	83.6	Confident	86.2	Confident	57 Å²	57	47.8 Å²	47.8	47%	0.471	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	8.1	178.1	0	0	0	0	0	114.7	N86 T119	N86-A88 PolarHBondContact O-N 3.47Å; N86-A88 VanDerWaalsContact O-N 3.16Å; A88-T119 HydrophobicContact CB-CG2 4.11Å
89	C	84.9	Confident	86.3	Confident	14 Å²	14	42.5 Å²	42.5	10%	0.095	22%	0.217	C	C	.	.			trans	-59.8	146.1	176.5	-178.9	0	0	0	0	111.9	D56 N86 N91 V94	D56-C89 PolarHBondContact OD1-SG 2.96Å; D56-C89 VanDerWaalsContact OD1-SG 3.35Å; N86-C89 WeakPolarHBondContact O-CB 3.28Å; N86-C89 PolarHBondContact O-N 3.41Å; C89-N91 PolarHBondContact SG-N 3.44Å; C89-N91 VanDerWaalsContact SG-N 3.36Å; C89-V94 HydrophobicContact CB-CG1 4.14Å
90	K	84.4	Confident	86.1	Confident	200 Å²	200	45 Å²	45	87%	0.87	23%	0.231	S	C	*	.	S	Bend	trans	-78.7	-29.3	176.9	-66.6	-177.7	-179.9	178.7	0	112.6	I92	K90-I92 PolarHBondContact O-N 2.99Å
91	N	86.4	Confident	86.2	Confident	46 Å²	46	45 Å²	45	25%	0.246	23%	0.232	C	C	.	.			trans	-69.6	120.7	179.4	-176	-23.6	0	0	0	110.9	D56 C89 E93 V94 K95	D56-N91 HydrophobicContact CB-CB 4.26Å; C89-N91 PolarHBondContact SG-N 3.44Å; C89-N91 VanDerWaalsContact SG-N 3.36Å; N91-E93 VanDerWaalsContact C-N 3.34Å; N91-E93 PolarHBondContact O-N 3Å; N91-E93 PolarHBondContact OD1-N 2.88Å; N91-V94 HydrophobicContact CB-CB 4.22Å; N91-V94 HydrophobicContact CB-CG2 3.96Å; N91-V94 PolarHBondContact O-N 3.46Å; N91-K95 VanDerWaalsContact O-CB 3.31Å; N91-K95 WeakPolarHBondContact O-CB 3.49Å; N91-K95 PolarHBondContact O-N 3.28Å
92	I	82.6	Confident	86.1	Confident	82 Å²	82	41.4 Å²	41.4	42%	0.421	21%	0.208	S	C	.	.	H	α-helix	trans	-65.2	-34.2	-176.5	-57.9	176	0	0	0	111.8	K90 K95 K96 I131	K90-I92 PolarHBondContact O-N 2.99Å; I92-K95 PolarHBondContact O-N 3.21Å; I92-K96 WeakPolarHBondContact O-CB 3.47Å; I92-K96 WeakPolarHBondContact O-CG 3.27Å; I92-K96 PolarHBondContact O-N 3.45Å; I92-I131 HydrophobicContact CD1-CD1 4.32Å; I92-I131 HydrophobicContact CG1-CD1 4.34Å
93	E	84.4	Confident	86	Confident	96 Å²	96	43.4 Å²	43.4	45%	0.449	22%	0.219	S	C	.	.	H	α-helix	trans	-68.6	-46.9	177.2	-74.7	-170.9	-140	0	0	111.9	L60 K64 N91 K95 K96 L97	L60-E93 HydrophobicContact CD1-CB 3.88Å; K64-E93 IonicContact NZ-OE2 3.71Å; K64-E93 PolarHBondContact NZ-OE2 2.96Å; N91-E93 VanDerWaalsContact C-N 3.34Å; N91-E93 PolarHBondContact O-N 3Å; N91-E93 PolarHBondContact OD1-N 2.88Å; E93-K95 VanDerWaalsContact C-N 3.29Å; E93-K95 PolarHBondContact O-N 2.92Å; E93-K96 PolarHBondContact O-N 2.93Å; E93-L97 WeakPolarHBondContact O-CG 3.26Å; E93-L97 PolarHBondContact O-N 3.02Å
94	V	86.5	Confident	85.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.6	-48	174.4	178.9	0	0	0	0	109.3	K59 L60 M63 C89 N91 K96 L97 V98	K59-V94 HydrophobicContact CB-CG1 4.26Å; K59-V94 HydrophobicContact CB-CG2 4.29Å; L60-V94 HydrophobicContact CB-CG2 3.78Å; M63-V94 HydrophobicContact CG-CG1 4.5Å; C89-V94 HydrophobicContact CB-CG1 4.14Å; N91-V94 HydrophobicContact CB-CB 4.22Å; N91-V94 HydrophobicContact CB-CG2 3.96Å; N91-V94 PolarHBondContact O-N 3.46Å; V94-K96 PolarHBondContact O-N 3.06Å; V94-L97 PolarHBondContact O-N 3.31Å; V94-V98 HydrophobicContact CG1-CG2 4.15Å; V94-V98 WeakPolarHBondContact O-CB 3.49Å; V94-V98 VanDerWaalsContact O-CG2 3.24Å; V94-V98 WeakPolarHBondContact O-CG2 3.39Å; V94-V98 PolarHBondContact O-N 3.29Å
95	K	85.3	Confident	85.8	Confident	25 Å²	25	50.3 Å²	50.3	11%	0.109	24%	0.243	C	C	.	.	H	α-helix	trans	-58.8	-43.7	178.6	-167.3	171.3	-178.1	176.4	0	112.4	N91 I92 E93 V98 Y99	N91-K95 VanDerWaalsContact O-CB 3.31Å; N91-K95 WeakPolarHBondContact O-CB 3.49Å; N91-K95 PolarHBondContact O-N 3.28Å; I92-K95 PolarHBondContact O-N 3.21Å; E93-K95 VanDerWaalsContact C-N 3.29Å; E93-K95 PolarHBondContact O-N 2.92Å; K95-V98 PolarHBondContact O-N 3.48Å; K95-Y99 WeakPolarHBondContact CE-OH 3.39Å; K95-Y99 HydrophobicContact CG-CD1 4.15Å; K95-Y99 HydrophobicContact CG-CE1 3.66Å; K95-Y99 HydrophobicContact CG-CE2 4.34Å; K95-Y99 VanDerWaalsContact O-CB 3.25Å; K95-Y99 WeakPolarHBondContact O-CB 3.49Å; K95-Y99 WeakPolarHBondContact O-CD1 3.37Å; K95-Y99 PolarHBondContact O-N 2.86Å
96	K	85.8	Confident	85.7	Confident	87 Å²	87	43.9 Å²	43.9	38%	0.378	22%	0.216	S	C	.	.	H	α-helix	trans	-59.2	-45.6	173.4	-82.3	-172.9	173.7	-165.2	0	112.5	E23 I92 E93 V94 Y99 V100	E23-K96 IonicContact OE1-NZ 3.24Å; E23-K96 PolarHBondContact OE1-NZ 3.32Å; E23-K96 IonicContact OE2-NZ 2.66Å; E23-K96 PolarHBondContact OE2-NZ 3.26Å; I92-K96 WeakPolarHBondContact O-CB 3.47Å; I92-K96 WeakPolarHBondContact O-CG 3.27Å; I92-K96 PolarHBondContact O-N 3.45Å; E93-K96 PolarHBondContact O-N 2.93Å; V94-K96 PolarHBondContact O-N 3.06Å; K96-Y99 WeakPolarHBondContact O-CB 3.42Å; K96-Y99 PolarHBondContact O-N 2.69Å; K96-V100 WeakPolarHBondContact O-CG2 3.15Å; K96-V100 PolarHBondContact O-N 3.29Å
97	L	87	Confident	85.5	Confident	26 Å²	26	47.2 Å²	47.2	14%	0.136	23%	0.231	C	C	.	.	H	α-helix	trans	-68.5	-40.7	-179.7	-64.5	168.3	0	0	0	112	M63 K64 V67 E93 V94 Y99 V100 Y101	M63-L97 HydrophobicContact CB-CB 3.81Å; M63-L97 HydrophobicContact CB-CD1 3.76Å; M63-L97 HydrophobicContact CB-CG 4.43Å; M63-L97 HydrophobicContact CE-CB 4.09Å; M63-L97 HydrophobicContact CG-CB 4.43Å; K64-L97 HydrophobicContact CG-CD1 3.71Å; V67-L97 HydrophobicContact CG2-CD2 4.15Å; E93-L97 WeakPolarHBondContact O-CG 3.26Å; E93-L97 PolarHBondContact O-N 3.02Å; V94-L97 PolarHBondContact O-N 3.31Å; L97-Y99 VanDerWaalsContact C-N 3.29Å; L97-Y99 PolarHBondContact O-N 2.88Å; L97-V100 PolarHBondContact O-N 2.92Å; L97-Y101 PolarHBondContact O-N 3.24Å
98	V	88.4	Confident	85.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.8	-39.8	173.7	172.3	0	0	0	0	110.6	M63 V83 N86 V87 V94 K95 Y101 L102	M63-V98 HydrophobicContact CE-CG2 4.04Å; M63-V98 HydrophobicContact CG-CG2 4.19Å; M63-V98 HydrophobicContact SD-CG2 3.95Å; V83-V98 HydrophobicContact CG1-CB 4.34Å; V83-V98 HydrophobicContact CG1-CG1 3.93Å; V83-V98 HydrophobicContact CG1-CG2 4.14Å; N86-V98 HydrophobicContact CB-CG2 4.3Å; V87-V98 HydrophobicContact CB-CG1 4.24Å; V87-V98 HydrophobicContact CG2-CG1 3.45Å; V87-V98 VanDerWaalsContact CG2-CG1 3.45Å; V94-V98 HydrophobicContact CG1-CG2 4.15Å; V94-V98 WeakPolarHBondContact O-CB 3.49Å; V94-V98 VanDerWaalsContact O-CG2 3.24Å; V94-V98 WeakPolarHBondContact O-CG2 3.39Å; V94-V98 PolarHBondContact O-N 3.29Å; K95-V98 PolarHBondContact O-N 3.48Å; V98-Y101 PolarHBondContact O-N 2.75Å; V98-L102 HydrophobicContact CG1-CD1 4.42Å; V98-L102 WeakPolarHBondContact O-CG 3.47Å; V98-L102 PolarHBondContact O-N 2.89Å
99	Y	87.9	Confident	85.5	Confident	10 Å²	10	53.2 Å²	53.2	4%	0.039	25%	0.249	C	C	.	.	H	α-helix	trans	-62.7	-44	176.5	-81.5	20.5	0	0	0	112	V87 K95 K96 L97 L102 V103 F120 V138	V87-Y99 HydrophobicContact CG1-CE1 4.18Å; K95-Y99 WeakPolarHBondContact CE-OH 3.39Å; K95-Y99 HydrophobicContact CG-CD1 4.15Å; K95-Y99 HydrophobicContact CG-CE1 3.66Å; K95-Y99 HydrophobicContact CG-CE2 4.34Å; K95-Y99 VanDerWaalsContact O-CB 3.25Å; K95-Y99 WeakPolarHBondContact O-CB 3.49Å; K95-Y99 WeakPolarHBondContact O-CD1 3.37Å; K95-Y99 PolarHBondContact O-N 2.86Å; K96-Y99 WeakPolarHBondContact O-CB 3.42Å; K96-Y99 PolarHBondContact O-N 2.69Å; L97-Y99 VanDerWaalsContact C-N 3.29Å; L97-Y99 PolarHBondContact O-N 2.88Å; Y99-L102 PolarHBondContact O-N 2.76Å; Y99-V103 WeakPolarHBondContact O-CG2 3.28Å; Y99-V103 PolarHBondContact O-N 3.06Å; Y99-F120 AromaticContact CD1-CE1 3.94Å; Y99-F120 HydrophobicContact CD1-CE1 3.94Å; Y99-F120 HydrophobicContact CE1-CD1 4.19Å; Y99-F120 AromaticContact CE1-CE1 3.48Å; Y99-F120 HydrophobicContact CE1-CE1 3.48Å; Y99-F120 VanDerWaalsContact CE1-CE1 3.48Å; Y99-F120 HydrophobicContact CE1-CZ 4.37Å; Y99-F120 HydrophobicContact CE2-CE1 4.28Å; Y99-F120 AromaticContact CZ-CD1 3.95Å; Y99-F120 AromaticContact CZ-CE1 3.64Å; Y99-V138 HydrophobicContact CD2-CG2 3.57Å; Y99-V138 HydrophobicContact CE2-CG2 4.35Å; Y99-V138 HydrophobicContact CG-CG2 3.66Å
100	V	84.8	Confident	85.5	Confident	52 Å²	52	56.9 Å²	56.9	32%	0.315	27%	0.265	S	S	.	.	H	α-helix	trans	-63.3	-42.8	174.5	171.3	0	0	0	0	111.6	K96 L97 V103 R104	K96-V100 WeakPolarHBondContact O-CG2 3.15Å; K96-V100 PolarHBondContact O-N 3.29Å; L97-V100 PolarHBondContact O-N 2.92Å; V100-V103 PolarHBondContact O-N 2.89Å; V100-R104 PolarHBondContact O-N 2.92Å
101	Y	88	Confident	85.5	Confident	1 Å²	1	53.6 Å²	53.6	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-60.2	-45.6	176.9	176.9	-84	0	0	0	112.3	I66 I70 A76 F80 V83 L97 V98 V103 R104 Y105	I66-Y101 HydrophobicContact CG2-CD2 3.71Å; I66-Y101 HydrophobicContact CG2-CE2 3.83Å; I70-Y101 HydrophobicContact CD1-CD2 3.59Å; I70-Y101 HydrophobicContact CD1-CE2 4.04Å; A76-Y101 HydrophobicContact CB-CE2 4.28Å; A76-Y101 PolarHBondContact O-OH 3.35Å; F80-Y101 VanDerWaalsContact CA-OH 3.25Å; F80-Y101 WeakPolarHBondContact CA-OH 3.38Å; F80-Y101 HydrophobicContact CB-CE1 4.31Å; F80-Y101 HydrophobicContact CD2-CD1 4.45Å; F80-Y101 AromaticContact CD2-CE1 3.51Å; F80-Y101 HydrophobicContact CD2-CE1 3.51Å; F80-Y101 HydrophobicContact CE2-CE1 4.17Å; F80-Y101 HydrophobicContact CG-CE1 4.21Å; F80-Y101 PolarHBondContact N-OH 3.27Å; F80-Y101 VanDerWaalsContact N-OH 3.09Å; V83-Y101 HydrophobicContact CB-CD1 3.9Å; V83-Y101 HydrophobicContact CB-CE1 3.76Å; V83-Y101 HydrophobicContact CB-CG 4.49Å; V83-Y101 HydrophobicContact CG1-CD1 3.34Å; V83-Y101 HydrophobicContact CG1-CD2 4.49Å; V83-Y101 HydrophobicContact CG1-CE1 3.77Å; V83-Y101 HydrophobicContact CG1-CG 3.76Å; V83-Y101 HydrophobicContact CG2-CD1 4.32Å; V83-Y101 HydrophobicContact CG2-CE1 4.09Å; V83-Y101 HydrophobicContact CG2-CE2 4.32Å; L97-Y101 PolarHBondContact O-N 3.24Å; V98-Y101 PolarHBondContact O-N 2.75Å; Y101-V103 PolarHBondContact O-N 3.16Å; Y101-R104 PolarHBondContact O-N 2.93Å; Y101-R104 VanDerWaalsContact O-N 3.13Å; Y101-Y105 HydrophobicContact CD1-CD2 4.41Å; Y101-Y105 AromaticContact CD2-CD2 3.97Å; Y101-Y105 HydrophobicContact CD2-CD2 3.97Å; Y101-Y105 HydrophobicContact CD2-CE2 4.24Å; Y101-Y105 HydrophobicContact CE1-CD2 4.08Å; Y101-Y105 AromaticContact CE2-CD2 3.56Å; Y101-Y105 HydrophobicContact CE2-CD2 3.56Å; Y101-Y105 AromaticContact CE2-CE2 3.76Å; Y101-Y105 HydrophobicContact CE2-CE2 3.76Å; Y101-Y105 HydrophobicContact CG-CD2 4.36Å; Y101-Y105 AromaticContact CZ-CD2 3.61Å; Y101-Y105 PolarHBondContact O-N 3.04Å; Y101-Y105 VanDerWaalsContact O-N 3.15Å
102	L	86.5	Confident	85.4	Confident	1 Å²	1	54.2 Å²	54.2	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-64.8	-38	179.8	-74.2	-178.5	0	0	0	113	F80 V84 V87 V98 Y99 R104 Y105 A106 F120	F80-L102 HydrophobicContact CD2-CD2 4.47Å; F80-L102 HydrophobicContact CE1-CD2 4.4Å; F80-L102 HydrophobicContact CE2-CD2 3.62Å; F80-L102 HydrophobicContact CZ-CD2 3.58Å; V84-L102 HydrophobicContact CG2-CD2 3.84Å; V87-L102 HydrophobicContact CG2-CD1 3.56Å; V98-L102 HydrophobicContact CG1-CD1 4.42Å; V98-L102 WeakPolarHBondContact O-CG 3.47Å; V98-L102 PolarHBondContact O-N 2.89Å; Y99-L102 PolarHBondContact O-N 2.76Å; L102-R104 PolarHBondContact O-N 3.26Å; L102-Y105 PolarHBondContact O-N 2.86Å; L102-A106 WeakPolarHBondContact O-CB 3.42Å; L102-A106 PolarHBondContact O-N 3.14Å; L102-F120 HydrophobicContact CD1-CE2 4.32Å; L102-F120 HydrophobicContact CD1-CZ 3.76Å
103	V	84.2	Confident	85.4	Confident	53 Å²	53	50.4 Å²	50.4	32%	0.321	24%	0.241	S	C	.	.	H	α-helix	trans	-61.6	-24.4	175.9	173.3	0	0	0	0	112.1	Y99 V100 Y101 V138	Y99-V103 WeakPolarHBondContact O-CG2 3.28Å; Y99-V103 PolarHBondContact O-N 3.06Å; V100-V103 PolarHBondContact O-N 2.89Å; Y101-V103 PolarHBondContact O-N 3.16Å; V103-V138 HydrophobicContact CG2-CB 4.36Å; V103-V138 HydrophobicContact CG2-CG1 3.99Å; V103-V138 HydrophobicContact CG2-CG2 4.09Å
104	R	85	Confident	85.5	Confident	154 Å²	154	48.5 Å²	48.5	58%	0.581	23%	0.233	S	C	*	.	H	α-helix	trans	-82.8	-46.5	174	178.1	58	-171.1	-176	4.4	113.3	V100 Y101 L102	V100-R104 PolarHBondContact O-N 2.92Å; Y101-R104 PolarHBondContact O-N 2.93Å; Y101-R104 VanDerWaalsContact O-N 3.13Å; L102-R104 PolarHBondContact O-N 3.26Å
105	Y	85.9	Confident	85.4	Confident	8 Å²	8	53.9 Å²	53.9	3%	0.031	26%	0.261	C	S	.	.	H	α-helix	trans	-103.3	-9.8	-166.5	-74.4	-67.9	0	0	0	115.5	I70 A76 Y101 L102 E107 E108 Q109	I70-Y105 HydrophobicContact CD1-CE2 3.76Å; I70-Y105 HydrophobicContact CG1-CE2 4.03Å; A76-Y105 HydrophobicContact CB-CE2 4.18Å; A76-Y105 PolarHBondContact N-OH 3.31Å; A76-Y105 VanDerWaalsContact N-OH 3.12Å; Y101-Y105 HydrophobicContact CD1-CD2 4.41Å; Y101-Y105 AromaticContact CD2-CD2 3.97Å; Y101-Y105 HydrophobicContact CD2-CD2 3.97Å; Y101-Y105 HydrophobicContact CD2-CE2 4.24Å; Y101-Y105 HydrophobicContact CE1-CD2 4.08Å; Y101-Y105 AromaticContact CE2-CD2 3.56Å; Y101-Y105 HydrophobicContact CE2-CD2 3.56Å; Y101-Y105 AromaticContact CE2-CE2 3.76Å; Y101-Y105 HydrophobicContact CE2-CE2 3.76Å; Y101-Y105 HydrophobicContact CG-CD2 4.36Å; Y101-Y105 AromaticContact CZ-CD2 3.61Å; Y101-Y105 PolarHBondContact O-N 3.04Å; Y101-Y105 VanDerWaalsContact O-N 3.15Å; L102-Y105 PolarHBondContact O-N 2.86Å; Y105-E107 PolarHBondContact O-N 3.3Å; Y105-E108 VanDerWaalsContact CD1-OE2 3.27Å; Y105-E108 WeakPolarHBondContact CD1-OE2 3.28Å; Y105-E108 PolarHBondContact O-N 3.3Å; Y105-E108 VanDerWaalsContact O-N 3.09Å; Y105-Q109 PolarHBondContact O-N 2.84Å; Y105-Q109 VanDerWaalsContact O-N 3.14Å
106	A	84.1	Confident	85.4	Confident	2 Å²	2	52.8 Å²	52.8	2%	0.017	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.5	-178.4	0	0	0	0	0	114.2	L102 Q110 A113 I142	L102-A106 WeakPolarHBondContact O-CB 3.42Å; L102-A106 PolarHBondContact O-N 3.14Å; A106-Q110 WeakPolarHBondContact O-CG 3.5Å; A106-A113 HydrophobicContact CB-CB 3.8Å; A106-I142 HydrophobicContact CB-CG1 4.01Å; A106-I142 HydrophobicContact CB-CG2 4.26Å
107	E	83.3	Confident	85.5	Confident	76 Å²	76	49.5 Å²	49.5	36%	0.355	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-33.1	172.4	-60.1	-171.4	170.5	0	0	112.3	Y105 Q110 R143	Y105-E107 PolarHBondContact O-N 3.3Å; E107-Q110 WeakPolarHBondContact O-CG 3.37Å; E107-Q110 PolarHBondContact O-NE2 3.06Å; E107-R143 HydrophobicContact CG-CB 4.23Å; E107-R143 WeakPolarHBondContact OE1-CD 3.41Å; E107-R143 WeakPolarHBondContact OE1-CG 3.41Å; E107-R143 IonicContact OE1-CZ 3.86Å; E107-R143 IonicContact OE1-NE 2.74Å; E107-R143 IonicContact OE1-NH1 3.79Å; E107-R143 PolarHBondContact OE1-NH1 2.88Å; E107-R143 IonicContact OE2-NH1 3.85Å
108	E	85.4	Confident	85.5	Confident	100 Å²	100	51.7 Å²	51.7	47%	0.467	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-27.1	-179.2	-63	175.5	-162.3	0	0	112.6	Y105	Y105-E108 VanDerWaalsContact CD1-OE2 3.27Å; Y105-E108 WeakPolarHBondContact CD1-OE2 3.28Å; Y105-E108 PolarHBondContact O-N 3.3Å; Y105-E108 VanDerWaalsContact O-N 3.09Å
109	Q	84.2	Confident	85.5	Confident	85 Å²	85	52.5 Å²	52.5	40%	0.397	27%	0.266	S	S	.	.	S	Bend	trans	-129.9	58	-174.1	-68.4	-64.2	-70.8	0	0	111.9	F80 Y105 D111 L112 A113	F80-Q109 HydrophobicContact CD1-CB 3.79Å; F80-Q109 HydrophobicContact CD1-CG 4.39Å; F80-Q109 HydrophobicContact CD2-CB 4.23Å; F80-Q109 HydrophobicContact CE1-CB 3.75Å; F80-Q109 HydrophobicContact CE2-CB 4.2Å; F80-Q109 HydrophobicContact CG-CB 4.05Å; F80-Q109 HydrophobicContact CG-CG 4.28Å; F80-Q109 HydrophobicContact CZ-CB 3.97Å; Y105-Q109 PolarHBondContact O-N 2.84Å; Y105-Q109 VanDerWaalsContact O-N 3.14Å; Q109-D111 PolarHBondContact O-N 2.71Å; Q109-L112 PolarHBondContact O-N 3.1Å; Q109-A113 PolarHBondContact O-N 3.05Å
110	Q	85.1	Confident	85.6	Confident	90 Å²	90	52 Å²	52	42%	0.421	26%	0.264	S	S	.	.	H	α-helix	trans	-60	-46.4	-168.5	-57.2	-172.9	15.3	0	0	113.3	A106 E107 L112 A113 L114 V144	A106-Q110 WeakPolarHBondContact O-CG 3.5Å; E107-Q110 WeakPolarHBondContact O-CG 3.37Å; E107-Q110 PolarHBondContact O-NE2 3.06Å; Q110-L112 PolarHBondContact O-N 3.44Å; Q110-A113 WeakPolarHBondContact O-CA 3.5Å; Q110-A113 VanDerWaalsContact O-CB 3.31Å; Q110-A113 WeakPolarHBondContact O-CB 3.48Å; Q110-A113 PolarHBondContact O-N 3.09Å; Q110-L114 WeakPolarHBondContact O-CG 3.26Å; Q110-L114 PolarHBondContact O-N 3.4Å; Q110-L114 VanDerWaalsContact O-N 3.11Å; Q110-V144 HydrophobicContact CB-CG2 4.03Å; Q110-V144 HydrophobicContact CG-CG2 3.93Å
111	D	84.7	Confident	85.9	Confident	132 Å²	132	53.5 Å²	53.5	71%	0.706	27%	0.267	S	S	*	.	H	α-helix	trans	-61.2	-42.5	-177.9	-61.6	-50.3	0	0	0	112.8	Q109 A113 L114	Q109-D111 PolarHBondContact O-N 2.71Å; D111-A113 VanDerWaalsContact C-N 3.33Å; D111-L114 WeakPolarHBondContact O-CB 3.31Å; D111-L114 PolarHBondContact O-N 3.4Å
112	L	83.4	Confident	85.9	Confident	58 Å²	58	61.1 Å²	61.1	30%	0.304	30%	0.296	S	S	.	.	H	α-helix	trans	-71.4	-29.7	175.9	-67.3	176.8	0	0	0	111.8	F80 P81 Q109 Q110 L114 L115	F80-L112 HydrophobicContact CD1-CB 3.76Å; F80-L112 HydrophobicContact CD1-CD1 4.09Å; F80-L112 HydrophobicContact CE1-CB 3.57Å; P81-L112 HydrophobicContact CG-CD1 4.13Å; Q109-L112 PolarHBondContact O-N 3.1Å; Q110-L112 PolarHBondContact O-N 3.44Å; L112-L114 VanDerWaalsContact C-N 3.28Å; L112-L114 PolarHBondContact O-N 3.25Å; L112-L115 HydrophobicContact CD2-CD1 4.24Å; L112-L115 WeakPolarHBondContact O-CB 3.41Å; L112-L115 PolarHBondContact O-N 3.02Å
113	A	83.9	Confident	86	Confident	3 Å²	3	61.2 Å²	61.2	3%	0.025	30%	0.298	C	S	.	.	H	α-helix	trans	-65.1	-31.5	173.2	0	0	0	0	0	112	F80 A106 Q109 Q110 D111 L115 S116	F80-A113 HydrophobicContact CE1-CB 4.5Å; F80-A113 HydrophobicContact CZ-CB 4.09Å; A106-A113 HydrophobicContact CB-CB 3.8Å; Q109-A113 PolarHBondContact O-N 3.05Å; Q110-A113 WeakPolarHBondContact O-CA 3.5Å; Q110-A113 VanDerWaalsContact O-CB 3.31Å; Q110-A113 WeakPolarHBondContact O-CB 3.48Å; Q110-A113 PolarHBondContact O-N 3.09Å; D111-A113 VanDerWaalsContact C-N 3.33Å; A113-L115 PolarHBondContact O-N 3.44Å; A113-S116 VanDerWaalsContact O-CB 3.29Å; A113-S116 WeakPolarHBondContact O-CB 3.31Å; A113-S116 PolarHBondContact O-N 3Å
114	L	85.3	Confident	86.3	Confident	55 Å²	55	59.8 Å²	59.8	29%	0.288	29%	0.288	S	S	.	.	H	α-helix	trans	-56.8	-36.1	178.6	-58.8	-177.8	0	0	0	112.7	Q110 D111 L112 S116 I117 V144 I147	Q110-L114 WeakPolarHBondContact O-CG 3.26Å; Q110-L114 PolarHBondContact O-N 3.4Å; Q110-L114 VanDerWaalsContact O-N 3.11Å; D111-L114 WeakPolarHBondContact O-CB 3.31Å; D111-L114 PolarHBondContact O-N 3.4Å; L112-L114 VanDerWaalsContact C-N 3.28Å; L112-L114 PolarHBondContact O-N 3.25Å; L114-S116 PolarHBondContact O-N 3.2Å; L114-S116 VanDerWaalsContact O-N 3.16Å; L114-I117 HydrophobicContact CB-CD1 4.06Å; L114-I117 HydrophobicContact CD2-CD1 3.68Å; L114-I117 HydrophobicContact CG-CD1 4.49Å; L114-I117 WeakPolarHBondContact O-CB 3.33Å; L114-I117 WeakPolarHBondContact O-CD1 3.4Å; L114-I117 VanDerWaalsContact O-CG1 3.29Å; L114-I117 WeakPolarHBondContact O-CG1 3.44Å; L114-I117 PolarHBondContact O-N 2.92Å; L114-I117 VanDerWaalsContact O-N 3.09Å; L114-V144 HydrophobicContact CD2-CG1 4.17Å; L114-I147 HydrophobicContact CD2-CG2 4.26Å
115	L	84.7	Confident	86.6	Confident	113 Å²	113	59 Å²	59	59%	0.592	29%	0.289	S	S	*	.	H	α-helix	trans	-56.8	-32.6	177.3	-58.1	175.6	0	0	0	112.2	V84 L112 A113 S118	V84-L115 HydrophobicContact CG1-CB 4.32Å; L112-L115 HydrophobicContact CD2-CD1 4.24Å; L112-L115 WeakPolarHBondContact O-CB 3.41Å; L112-L115 PolarHBondContact O-N 3.02Å; A113-L115 PolarHBondContact O-N 3.44Å; L115-S118 PolarHBondContact O-OG 3.37Å
116	S	86.3	Confident	86.8	Confident	3 Å²	3	60.5 Å²	60.5	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-73.7	-23.6	-178.8	-57.2	0	0	0	0	113.5	A113 L114 S118 T119 F120	A113-S116 VanDerWaalsContact O-CB 3.29Å; A113-S116 WeakPolarHBondContact O-CB 3.31Å; A113-S116 PolarHBondContact O-N 3Å; L114-S116 PolarHBondContact O-N 3.2Å; L114-S116 VanDerWaalsContact O-N 3.16Å; S116-S118 VanDerWaalsContact C-N 3.3Å; S116-S118 PolarHBondContact O-N 3.49Å; S116-T119 PolarHBondContact O-N 2.93Å; S116-F120 VanDerWaalsContact O-CD2 3.26Å; S116-F120 WeakPolarHBondContact O-CD2 3.28Å; S116-F120 PolarHBondContact O-N 2.74Å
117	I	87.1	Confident	87	Confident	17 Å²	17	66.3 Å²	66.3	9%	0.087	34%	0.335	C	S	.	.	H	α-helix	trans	-56.1	-44.7	-176.6	-57.9	163	0	0	0	111.2	L114 T119 F120 Q121 L139 I147 I150	L114-I117 HydrophobicContact CB-CD1 4.06Å; L114-I117 HydrophobicContact CD2-CD1 3.68Å; L114-I117 HydrophobicContact CG-CD1 4.49Å; L114-I117 WeakPolarHBondContact O-CB 3.33Å; L114-I117 WeakPolarHBondContact O-CD1 3.4Å; L114-I117 VanDerWaalsContact O-CG1 3.29Å; L114-I117 WeakPolarHBondContact O-CG1 3.44Å; L114-I117 PolarHBondContact O-N 2.92Å; L114-I117 VanDerWaalsContact O-N 3.09Å; I117-T119 PolarHBondContact O-N 2.92Å; I117-F120 PolarHBondContact O-N 3Å; I117-F120 VanDerWaalsContact O-N 3.08Å; I117-Q121 HydrophobicContact CG2-CG 4.26Å; I117-Q121 WeakPolarHBondContact O-CG 3.5Å; I117-Q121 PolarHBondContact O-N 3.35Å; I117-L139 HydrophobicContact CG2-CD1 4.38Å; I117-I147 HydrophobicContact CD1-CB 4.48Å; I117-I147 HydrophobicContact CD1-CG2 3.32Å; I117-I147 HydrophobicContact CG1-CG2 4.09Å; I117-I150 HydrophobicContact CG2-CD1 4.11Å; I117-I150 HydrophobicContact CG2-CG2 4.18Å
118	S	87.4	Confident	87.3	Confident	72 Å²	72	65.3 Å²	65.3	50%	0.503	33%	0.332	S	S	.	.	H	α-helix	trans	-54.2	-36.1	177.1	65.8	0	0	0	0	112.8	L115 S116 R122	L115-S118 PolarHBondContact O-OG 3.37Å; S116-S118 VanDerWaalsContact C-N 3.3Å; S116-S118 PolarHBondContact O-N 3.49Å; S118-R122 PolarHBondContact O-N 2.87Å
119	T	88.9	Confident	87.6	Confident	17 Å²	17	64.6 Å²	64.6	10%	0.104	33%	0.329	C	S	.	.	H	α-helix	trans	-84.4	-30	179.4	-67.1	0	0	0	0	112.2	V87 A88 S116 I117 R122 G123	V87-T119 HydrophobicContact CG1-CG2 3.81Å; A88-T119 HydrophobicContact CB-CG2 4.11Å; S116-T119 PolarHBondContact O-N 2.93Å; I117-T119 PolarHBondContact O-N 2.92Å; T119-R122 PolarHBondContact OG1-NH2 2.85Å; T119-G123 PolarHBondContact O-N 2.73Å
120	F	89.4	Confident	87.8	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-65.6	-45	167.8	-63.7	-56.8	0	0	0	111.7	V87 Y99 L102 S116 I117 R122 G123 L124 A135 V138 L139 I142	V87-F120 HydrophobicContact CG1-CE1 4.42Å; V87-F120 HydrophobicContact CG1-CZ 4.36Å; Y99-F120 AromaticContact CD1-CE1 3.94Å; Y99-F120 HydrophobicContact CD1-CE1 3.94Å; Y99-F120 HydrophobicContact CE1-CD1 4.19Å; Y99-F120 AromaticContact CE1-CE1 3.48Å; Y99-F120 HydrophobicContact CE1-CE1 3.48Å; Y99-F120 VanDerWaalsContact CE1-CE1 3.48Å; Y99-F120 HydrophobicContact CE1-CZ 4.37Å; Y99-F120 HydrophobicContact CE2-CE1 4.28Å; Y99-F120 AromaticContact CZ-CD1 3.95Å; Y99-F120 AromaticContact CZ-CE1 3.64Å; L102-F120 HydrophobicContact CD1-CE2 4.32Å; L102-F120 HydrophobicContact CD1-CZ 3.76Å; S116-F120 VanDerWaalsContact O-CD2 3.26Å; S116-F120 WeakPolarHBondContact O-CD2 3.28Å; S116-F120 PolarHBondContact O-N 2.74Å; I117-F120 PolarHBondContact O-N 3Å; I117-F120 VanDerWaalsContact O-N 3.08Å; F120-R122 VanDerWaalsContact C-N 3.3Å; F120-R122 PolarHBondContact O-N 3.44Å; F120-G123 CarbonylContact O-C 3.59Å; F120-G123 WeakPolarHBondContact O-CA 3.29Å; F120-G123 PolarHBondContact O-N 3.21Å; F120-L124 WeakPolarHBondContact O-CG 3.27Å; F120-L124 PolarHBondContact O-N 3.34Å; F120-A135 HydrophobicContact CD1-CB 4.41Å; F120-V138 HydrophobicContact CD1-CB 4.42Å; F120-V138 HydrophobicContact CE1-CB 3.78Å; F120-V138 HydrophobicContact CE1-CG1 3.57Å; F120-V138 HydrophobicContact CE1-CG2 4.46Å; F120-V138 HydrophobicContact CE2-CG1 4.06Å; F120-V138 HydrophobicContact CZ-CB 4.07Å; F120-V138 HydrophobicContact CZ-CG1 3.32Å; F120-L139 HydrophobicContact CB-CB 4.46Å; F120-L139 HydrophobicContact CB-CD1 4.37Å; F120-I142 HydrophobicContact CD2-CD1 4.36Å; F120-I142 HydrophobicContact CE2-CD1 3.73Å; F120-I142 HydrophobicContact CZ-CD1 4.42Å
121	Q	90.3	Very high	87.9	Confident	83 Å²	83	61.6 Å²	61.6	39%	0.388	32%	0.318	S	S	.	.	H	α-helix	trans	-55.8	-42.6	174.5	-74.8	176.4	-26.9	0	0	112.3	I117 L124 I150	I117-Q121 HydrophobicContact CG2-CG 4.26Å; I117-Q121 WeakPolarHBondContact O-CG 3.5Å; I117-Q121 PolarHBondContact O-N 3.35Å; Q121-L124 PolarHBondContact O-N 2.98Å; Q121-I150 HydrophobicContact CG-CG2 4.1Å; Q121-I150 VanDerWaalsContact NE2-CG2 3.31Å
122	R	89.6	Confident	88.2	Confident	161 Å²	161	57.1 Å²	57.1	61%	0.608	29%	0.291	S	S	*	.	H	α-helix	trans	-66.5	-38.9	171.9	-179.4	170.4	54.5	-177.2	-6.8	112.3	S118 T119 F120 L124 K125	S118-R122 PolarHBondContact O-N 2.87Å; T119-R122 PolarHBondContact OG1-NH2 2.85Å; F120-R122 VanDerWaalsContact C-N 3.3Å; F120-R122 PolarHBondContact O-N 3.44Å; R122-L124 VanDerWaalsContact C-N 3.31Å; R122-L124 PolarHBondContact O-N 2.61Å; R122-K125 PolarHBondContact O-N 2.74Å; R122-K125 VanDerWaalsContact O-N 3.07Å
123	G	88.4	Confident	88.4	Confident	4 Å²	4	54.3 Å²	54.3	4%	0.041	28%	0.276	C	S	.	.	H	α-helix	trans	-63.7	-30.4	176.2	0	0	0	0	0	114.2	T119 F120 K125 D126 R132	T119-G123 PolarHBondContact O-N 2.73Å; F120-G123 CarbonylContact O-C 3.59Å; F120-G123 WeakPolarHBondContact O-CA 3.29Å; F120-G123 PolarHBondContact O-N 3.21Å; G123-K125 PolarHBondContact O-N 3.48Å; G123-D126 VanDerWaalsContact O-CB 3.28Å; G123-D126 WeakPolarHBondContact O-CB 3.47Å; G123-D126 PolarHBondContact O-N 2.72Å; G123-R132 WeakPolarHBondContact O-CA 3.48Å
124	L	89.7	Confident	88.6	Confident	22 Å²	22	55.6 Å²	55.6	12%	0.115	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-15.9	171.7	-67.1	172.2	0	0	0	113.4	F120 Q121 R122 R132 A135 L136 L139 A154	F120-L124 WeakPolarHBondContact O-CG 3.27Å; F120-L124 PolarHBondContact O-N 3.34Å; Q121-L124 PolarHBondContact O-N 2.98Å; R122-L124 VanDerWaalsContact C-N 3.31Å; R122-L124 PolarHBondContact O-N 2.61Å; L124-R132 WeakPolarHBondContact O-CD 3.23Å; L124-R132 WeakPolarHBondContact O-CG 3.46Å; L124-A135 HydrophobicContact CD2-CB 4.36Å; L124-L136 HydrophobicContact CD2-CB 3.67Å; L124-L136 HydrophobicContact CD2-CD1 4.07Å; L124-L136 HydrophobicContact CD2-CG 4.41Å; L124-L139 HydrophobicContact CD1-CD2 4.08Å; L124-A154 HydrophobicContact CD1-CB 3.46Å; L124-A154 VanDerWaalsContact CD1-CB 3.46Å
125	K	91.3	Very high	88.8	Confident	137 Å²	137	53 Å²	53	60%	0.596	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	15.7	-178.7	-54.2	-166.9	178.8	-163.8	0	112.4	R122 G123 E157	R122-K125 PolarHBondContact O-N 2.74Å; R122-K125 VanDerWaalsContact O-N 3.07Å; G123-K125 PolarHBondContact O-N 3.48Å; K125-E157 WeakPolarHBondContact CE-OE2 3.43Å; K125-E157 VanDerWaalsContact NZ-CD 3.3Å; K125-E157 IonicContact NZ-OE1 2.69Å; K125-E157 PolarHBondContact NZ-OE1 2.92Å; K125-E157 IonicContact NZ-OE2 2.83Å; K125-E157 PolarHBondContact NZ-OE2 3.36Å
126	D	90.3	Very high	89	Confident	41 Å²	41	47.6 Å²	47.6	22%	0.219	24%	0.243	C	C	.	.			trans	-71.6	141	174.3	-167.6	-67.9	0	0	0	111.2	G123 N128 I131 R132	G123-D126 VanDerWaalsContact O-CB 3.28Å; G123-D126 WeakPolarHBondContact O-CB 3.47Å; G123-D126 PolarHBondContact O-N 2.72Å; D126-N128 PolarHBondContact O-N 2.56Å; D126-N128 WeakPolarHBondContact OD1-CB 3.32Å; D126-N128 PolarHBondContact OD1-N 3.46Å; D126-I131 HydrophobicContact CB-CB 4.06Å; D126-I131 HydrophobicContact CB-CG2 3.75Å; D126-I131 WeakPolarHBondContact OD2-CG2 3.13Å; D126-R132 HydrophobicContact CB-CG 4.35Å; D126-R132 WeakPolarHBondContact O-CD 3.3Å; D126-R132 WeakPolarHBondContact O-CG 3.19Å; D126-R132 PolarHBondContact O-NH1 3.09Å
127	P	89.3	Confident	89.2	Confident	123 Å²	123	50.1 Å²	50.1	80%	0.799	25%	0.252	S	S	*	.	S	Bend	trans	-60.4	-27.8	177	24.4	-35.1	0	0	0	113.6	Q129 R132	P127-Q129 PolarHBondContact O-N 3.38Å; P127-R132 VanDerWaalsContact C-NH1 3.26Å; P127-R132 PolarHBondContact O-NH1 3.26Å
128	N	88.9	Confident	89.3	Confident	55 Å²	55	49.7 Å²	49.7	29%	0.294	25%	0.25	S	S	.	.			trans	-81.9	116.5	-179.2	-174	-17.1	0	0	0	111.9	D126 L130 I131 R132	D126-N128 PolarHBondContact O-N 2.56Å; D126-N128 WeakPolarHBondContact OD1-CB 3.32Å; D126-N128 PolarHBondContact OD1-N 3.46Å; N128-L130 PolarHBondContact O-N 3.44Å; N128-L130 VanDerWaalsContact O-N 3.12Å; N128-L130 WeakPolarHBondContact OD1-CB 3.4Å; N128-L130 PolarHBondContact OD1-N 2.77Å; N128-I131 HydrophobicContact CB-CB 4.25Å; N128-I131 HydrophobicContact CB-CD1 4.01Å; N128-I131 HydrophobicContact CB-CG1 3.99Å; N128-I131 PolarHBondContact O-N 2.93Å; N128-R132 PolarHBondContact O-N 3.34Å
129	Q	90.6	Very high	89.3	Confident	86 Å²	86	46.2 Å²	46.2	40%	0.402	23%	0.226	S	C	.	.	H	α-helix	trans	-53.4	-31.9	177	64.5	-179.1	-1.5	0	0	114.2	P127 A133 S163 V166	P127-Q129 PolarHBondContact O-N 3.38Å; Q129-A133 VanDerWaalsContact O-CB 3.28Å; Q129-A133 WeakPolarHBondContact O-CB 3.14Å; Q129-A133 PolarHBondContact O-N 2.89Å; Q129-S163 VanDerWaalsContact OE1-CB 3.3Å; Q129-S163 PolarHBondContact OE1-OG 3.47Å; Q129-V166 HydrophobicContact CB-CG2 4.1Å; Q129-V166 WeakPolarHBondContact O-CG2 2.99Å
130	L	88.3	Confident	89.3	Confident	95 Å²	95	45.6 Å²	45.6	50%	0.497	22%	0.222	S	C	.	.	H	α-helix	trans	-73.3	-32.2	178.4	-58.2	179.6	0	0	0	111.6	N128 S134 Y165	N128-L130 PolarHBondContact O-N 3.44Å; N128-L130 VanDerWaalsContact O-N 3.12Å; N128-L130 WeakPolarHBondContact OD1-CB 3.4Å; N128-L130 PolarHBondContact OD1-N 2.77Å; L130-S134 VanDerWaalsContact O-CB 3.28Å; L130-S134 WeakPolarHBondContact O-CB 3.44Å; L130-S134 PolarHBondContact O-N 3.26Å; L130-S134 PolarHBondContact O-OG 2.91Å; L130-Y165 HydrophobicContact CD2-CD1 4.04Å; L130-Y165 HydrophobicContact CD2-CE1 3.82Å
131	I	87.3	Confident	89.2	Confident	17 Å²	17	46.6 Å²	46.6	9%	0.087	23%	0.23	C	C	.	.	H	α-helix	trans	-74.4	-42.4	175.6	-61.1	-179	0	0	0	110	I92 D126 N128 S134 A135	I92-I131 HydrophobicContact CD1-CD1 4.32Å; I92-I131 HydrophobicContact CG1-CD1 4.34Å; D126-I131 HydrophobicContact CB-CB 4.06Å; D126-I131 HydrophobicContact CB-CG2 3.75Å; D126-I131 WeakPolarHBondContact OD2-CG2 3.13Å; N128-I131 HydrophobicContact CB-CB 4.25Å; N128-I131 HydrophobicContact CB-CD1 4.01Å; N128-I131 HydrophobicContact CB-CG1 3.99Å; N128-I131 PolarHBondContact O-N 2.93Å; I131-S134 WeakPolarHBondContact CA-OG 3.4Å; I131-S134 PolarHBondContact O-N 2.99Å; I131-S134 PolarHBondContact O-OG 3.13Å; I131-A135 VanDerWaalsContact O-CB 3.27Å; I131-A135 WeakPolarHBondContact O-CB 3.33Å; I131-A135 PolarHBondContact O-N 3.5Å
132	R	90.9	Very high	89	Confident	37 Å²	37	42.9 Å²	42.9	14%	0.14	21%	0.212	C	C	.	.	H	α-helix	trans	-59.1	-50.1	173.3	-61.3	-161.1	-63.1	-83.3	9.1	112.1	G123 L124 D126 P127 N128 A135 L136 D161 V166	G123-R132 WeakPolarHBondContact O-CA 3.48Å; L124-R132 WeakPolarHBondContact O-CD 3.23Å; L124-R132 WeakPolarHBondContact O-CG 3.46Å; D126-R132 HydrophobicContact CB-CG 4.35Å; D126-R132 WeakPolarHBondContact O-CD 3.3Å; D126-R132 WeakPolarHBondContact O-CG 3.19Å; D126-R132 PolarHBondContact O-NH1 3.09Å; P127-R132 VanDerWaalsContact C-NH1 3.26Å; P127-R132 PolarHBondContact O-NH1 3.26Å; N128-R132 PolarHBondContact O-N 3.34Å; R132-A135 PolarHBondContact O-N 2.72Å; R132-L136 PolarHBondContact O-N 2.68Å; R132-D161 IonicContact CZ-OD1 3.05Å; R132-D161 IonicContact CZ-OD2 3.24Å; R132-D161 IonicContact NE-OD1 2.75Å; R132-D161 IonicContact NE-OD2 3.41Å; R132-D161 PolarHBondContact NE-OD2 3.04Å; R132-D161 IonicContact NH2-OD1 3.85Å; R132-D161 PolarHBondContact NH2-OD1 3.32Å; R132-D161 IonicContact NH2-OD2 2.66Å; R132-D161 PolarHBondContact NH2-OD2 3.29Å; R132-D161 VanDerWaalsContact NH2-OD2 3.15Å; R132-V166 HydrophobicContact CB-CG2 4.1Å
133	A	88.4	Confident	88.6	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.3	-42.5	179.5	0	0	0	0	0	112.9	Q129 L136 R137 Y165 V166 T169	Q129-A133 VanDerWaalsContact O-CB 3.28Å; Q129-A133 WeakPolarHBondContact O-CB 3.14Å; Q129-A133 PolarHBondContact O-N 2.89Å; A133-L136 PolarHBondContact O-N 2.83Å; A133-R137 WeakPolarHBondContact O-CB 3.35Å; A133-R137 PolarHBondContact O-N 2.82Å; A133-Y165 HydrophobicContact CB-CD1 3.59Å; A133-Y165 HydrophobicContact CB-CE1 3.48Å; A133-Y165 VanDerWaalsContact CB-CE1 3.48Å; A133-V166 HydrophobicContact CB-CG2 4.23Å; A133-T169 HydrophobicContact CB-CG2 4.34Å; A133-T169 WeakPolarHBondContact O-CG2 3.13Å
134	S	87.5	Confident	88.4	Confident	29 Å²	29	40.1 Å²	40.1	20%	0.203	20%	0.201	C	C	.	.	H	α-helix	trans	-68.8	-37.9	177.9	55.2	0	0	0	0	112.6	L130 I131 R137 V138	L130-S134 VanDerWaalsContact O-CB 3.28Å; L130-S134 WeakPolarHBondContact O-CB 3.44Å; L130-S134 PolarHBondContact O-N 3.26Å; L130-S134 PolarHBondContact O-OG 2.91Å; I131-S134 WeakPolarHBondContact CA-OG 3.4Å; I131-S134 PolarHBondContact O-N 2.99Å; I131-S134 PolarHBondContact O-OG 3.13Å; S134-R137 PolarHBondContact O-N 2.98Å; S134-V138 WeakPolarHBondContact O-CG2 3.43Å; S134-V138 PolarHBondContact O-N 2.96Å
135	A	89.5	Confident	88.1	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-60.8	-45	172.9	0	0	0	0	0	111.7	F120 L124 I131 R132 V138 L139	F120-A135 HydrophobicContact CD1-CB 4.41Å; L124-A135 HydrophobicContact CD2-CB 4.36Å; I131-A135 VanDerWaalsContact O-CB 3.27Å; I131-A135 WeakPolarHBondContact O-CB 3.33Å; I131-A135 PolarHBondContact O-N 3.5Å; R132-A135 PolarHBondContact O-N 2.72Å; A135-V138 PolarHBondContact O-N 3Å; A135-L139 VanDerWaalsContact O-CB 3.3Å; A135-L139 WeakPolarHBondContact O-CB 3.3Å; A135-L139 PolarHBondContact O-N 2.79Å
136	L	90.4	Very high	87.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.5	-42	175.1	-172.5	61.4	0	0	0	112.2	L124 R132 A133 V138 L139 S140 A154 I155 A158 T169 A170	L124-L136 HydrophobicContact CD2-CB 3.67Å; L124-L136 HydrophobicContact CD2-CD1 4.07Å; L124-L136 HydrophobicContact CD2-CG 4.41Å; R132-L136 PolarHBondContact O-N 2.68Å; A133-L136 PolarHBondContact O-N 2.83Å; L136-V138 PolarHBondContact O-N 2.81Å; L136-L139 PolarHBondContact O-N 2.98Å; L136-S140 VanDerWaalsContact O-CB 3.29Å; L136-S140 WeakPolarHBondContact O-CB 3.27Å; L136-S140 PolarHBondContact O-N 3.03Å; L136-S140 PolarHBondContact O-OG 3.26Å; L136-A154 HydrophobicContact CD1-CB 4.13Å; L136-I155 HydrophobicContact CD1-CG1 4.33Å; L136-A158 HydrophobicContact CD2-CB 3.5Å; L136-T169 HydrophobicContact CB-CG2 4.5Å; L136-T169 HydrophobicContact CD2-CG2 4.4Å; L136-A170 HydrophobicContact CD2-CB 3.98Å
137	R	89.6	Confident	87.8	Confident	56 Å²	56	41.2 Å²	41.2	21%	0.211	22%	0.216	C	C	.	.	H	α-helix	trans	-62.4	-40.9	179.6	-168.7	178.3	-58.1	156.7	9.4	112.2	A133 S134 S140 S141 Y165 T169	A133-R137 WeakPolarHBondContact O-CB 3.35Å; A133-R137 PolarHBondContact O-N 2.82Å; S134-R137 PolarHBondContact O-N 2.98Å; R137-S140 PolarHBondContact O-OG 3.46Å; R137-S141 WeakPolarHBondContact O-CB 3.44Å; R137-S141 PolarHBondContact O-N 3.41Å; R137-S141 PolarHBondContact O-OG 3.06Å; R137-Y165 PolarHBondContact NH2-OH 2.87Å; R137-T169 HydrophobicContact CB-CG2 4.17Å
138	V	88.3	Confident	87.8	Confident	8 Å²	8	35.7 Å²	35.7	5%	0.048	18%	0.18	C	C	.	.	H	α-helix	trans	-73	-47	175.6	179.9	0	0	0	0	111.5	Y99 V103 F120 S134 A135 L136 S140 S141 I142	Y99-V138 HydrophobicContact CD2-CG2 3.57Å; Y99-V138 HydrophobicContact CE2-CG2 4.35Å; Y99-V138 HydrophobicContact CG-CG2 3.66Å; V103-V138 HydrophobicContact CG2-CB 4.36Å; V103-V138 HydrophobicContact CG2-CG1 3.99Å; V103-V138 HydrophobicContact CG2-CG2 4.09Å; F120-V138 HydrophobicContact CD1-CB 4.42Å; F120-V138 HydrophobicContact CE1-CB 3.78Å; F120-V138 HydrophobicContact CE1-CG1 3.57Å; F120-V138 HydrophobicContact CE1-CG2 4.46Å; F120-V138 HydrophobicContact CE2-CG1 4.06Å; F120-V138 HydrophobicContact CZ-CB 4.07Å; F120-V138 HydrophobicContact CZ-CG1 3.32Å; S134-V138 WeakPolarHBondContact O-CG2 3.43Å; S134-V138 PolarHBondContact O-N 2.96Å; A135-V138 PolarHBondContact O-N 3Å; L136-V138 PolarHBondContact O-N 2.81Å; V138-S140 PolarHBondContact O-N 3.47Å; V138-S141 PolarHBondContact O-N 2.82Å; V138-I142 HydrophobicContact CG1-CD1 4.18Å; V138-I142 HydrophobicContact CG1-CG1 4.5Å; V138-I142 PolarHBondContact O-N 3.37Å
139	L	89.1	Confident	87.9	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-53.9	-42.5	177.4	-175.7	67.1	0	0	0	111.5	I117 F120 L124 A135 L136 S141 I147 A154	I117-L139 HydrophobicContact CG2-CD1 4.38Å; F120-L139 HydrophobicContact CB-CB 4.46Å; F120-L139 HydrophobicContact CB-CD1 4.37Å; L124-L139 HydrophobicContact CD1-CD2 4.08Å; A135-L139 VanDerWaalsContact O-CB 3.3Å; A135-L139 WeakPolarHBondContact O-CB 3.3Å; A135-L139 PolarHBondContact O-N 2.79Å; L136-L139 PolarHBondContact O-N 2.98Å; L139-S141 VanDerWaalsContact C-N 3.29Å; L139-S141 PolarHBondContact O-N 3.48Å; L139-I147 HydrophobicContact CD1-CD1 3.79Å; L139-I147 HydrophobicContact CG-CD1 4.38Å; L139-I147 WeakPolarHBondContact O-CD1 3.42Å; L139-A154 HydrophobicContact CD2-CB 3.9Å
140	S	88.5	Confident	87.9	Confident	3 Å²	3	36 Å²	36	2%	0.021	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-7.5	176.1	68.6	0	0	0	0	116	L136 R137 V138 K176	L136-S140 VanDerWaalsContact O-CB 3.29Å; L136-S140 WeakPolarHBondContact O-CB 3.27Å; L136-S140 PolarHBondContact O-N 3.03Å; L136-S140 PolarHBondContact O-OG 3.26Å; R137-S140 PolarHBondContact O-OG 3.46Å; V138-S140 PolarHBondContact O-N 3.47Å; S140-K176 VanDerWaalsContact O-CB 3.29Å; S140-K176 WeakPolarHBondContact O-CB 3.24Å; S140-K176 WeakPolarHBondContact O-CD 3.5Å
141	S	87.1	Confident	88	Confident	22 Å²	22	31.6 Å²	31.6	15%	0.154	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-3.3	178.5	-51	0	0	0	0	113	R137 V138 L139 R143 K176	R137-S141 WeakPolarHBondContact O-CB 3.44Å; R137-S141 PolarHBondContact O-N 3.41Å; R137-S141 PolarHBondContact O-OG 3.06Å; V138-S141 PolarHBondContact O-N 2.82Å; L139-S141 VanDerWaalsContact C-N 3.29Å; L139-S141 PolarHBondContact O-N 3.48Å; S141-R143 PolarHBondContact O-N 3.39Å; S141-K176 PolarHBondContact OG-NZ 3.05Å
142	I	85.2	Confident	88.2	Confident	5 Å²	5	31 Å²	31	3%	0.026	16%	0.163	C	C	.	.			trans	-83.4	106.2	172.9	-67.4	166.8	0	0	0	107.6	A106 F120 V138 V144 I147	A106-I142 HydrophobicContact CB-CG1 4.01Å; A106-I142 HydrophobicContact CB-CG2 4.26Å; F120-I142 HydrophobicContact CD2-CD1 4.36Å; F120-I142 HydrophobicContact CE2-CD1 3.73Å; F120-I142 HydrophobicContact CZ-CD1 4.42Å; V138-I142 HydrophobicContact CG1-CD1 4.18Å; V138-I142 HydrophobicContact CG1-CG1 4.5Å; V138-I142 PolarHBondContact O-N 3.37Å; I142-V144 HydrophobicContact CG2-CB 4.03Å; I142-V144 HydrophobicContact CG2-CG2 3.65Å; I142-V144 PolarHBondContact O-N 2.66Å; I142-I147 HydrophobicContact CB-CD1 4.21Å; I142-I147 HydrophobicContact CG2-CD1 4.29Å
143	R	81.8	Confident	88.2	Confident	105 Å²	105	34.3 Å²	34.3	40%	0.396	18%	0.182	S	C	.	.			trans	-77.8	57.9	-177.4	-61.9	-162.7	-178.5	111	-9.8	112.9	D9 E107 S141 L180	D9-R143 IonicContact OD1-NH2 2.67Å; D9-R143 PolarHBondContact OD1-NH2 2.95Å; D9-R143 IonicContact OD2-NH2 3.04Å; D9-R143 PolarHBondContact OD2-NH2 3.33Å; E107-R143 HydrophobicContact CG-CB 4.23Å; E107-R143 WeakPolarHBondContact OE1-CD 3.41Å; E107-R143 WeakPolarHBondContact OE1-CG 3.41Å; E107-R143 IonicContact OE1-CZ 3.86Å; E107-R143 IonicContact OE1-NE 2.74Å; E107-R143 IonicContact OE1-NH1 3.79Å; E107-R143 PolarHBondContact OE1-NH1 2.88Å; E107-R143 IonicContact OE2-NH1 3.85Å; S141-R143 PolarHBondContact O-N 3.39Å; R143-L180 HydrophobicContact CB-CD2 3.67Å; R143-L180 HydrophobicContact CG-CD2 3.94Å
144	V	84.4	Confident	88.4	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.012	19%	0.185	C	C	.	.			trans	-116.9	120.7	179.1	176.3	0	0	0	0	110.2	Q110 L114 I142 I146 I147	Q110-V144 HydrophobicContact CB-CG2 4.03Å; Q110-V144 HydrophobicContact CG-CG2 3.93Å; L114-V144 HydrophobicContact CD2-CG1 4.17Å; I142-V144 HydrophobicContact CG2-CB 4.03Å; I142-V144 HydrophobicContact CG2-CG2 3.65Å; I142-V144 PolarHBondContact O-N 2.66Å; V144-I146 VanDerWaalsContact C-N 3.33Å; V144-I146 HydrophobicContact CG1-CB 4.14Å; V144-I146 HydrophobicContact CG1-CG1 4.47Å; V144-I146 PolarHBondContact O-N 3.17Å; V144-I147 HydrophobicContact CB-CG2 4.47Å; V144-I147 HydrophobicContact CG1-CG2 4.32Å; V144-I147 WeakPolarHBondContact O-CG1 3.47Å; V144-I147 PolarHBondContact O-N 3.32Å
145	T	84.3	Confident	88.7	Confident	99 Å²	99	33.2 Å²	33.2	61%	0.607	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-64.5	-33.6	-174.7	51.4	0	0	0	0	113.5	I147 V148	T145-I147 PolarHBondContact O-N 3.07Å; T145-V148 VanDerWaalsContact O-CB 3.32Å; T145-V148 WeakPolarHBondContact O-CB 3.38Å; T145-V148 WeakPolarHBondContact O-CG2 3.19Å; T145-V148 PolarHBondContact O-N 3.39Å; T145-V148 VanDerWaalsContact O-N 3.07Å
146	I	86.7	Confident	88.9	Confident	122 Å²	122	36 Å²	36	63%	0.626	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-56.9	-26.5	179.8	-58.2	171.1	0	0	0	112.3	V144	V144-I146 VanDerWaalsContact C-N 3.33Å; V144-I146 HydrophobicContact CG1-CB 4.14Å; V144-I146 HydrophobicContact CG1-CG1 4.47Å; V144-I146 PolarHBondContact O-N 3.17Å
147	I	88.2	Confident	89	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-88.3	-3.3	-177.5	76.4	154.5	0	0	0	114.3	L114 I117 L139 I142 V144 T145 I150 M151	L114-I147 HydrophobicContact CD2-CG2 4.26Å; I117-I147 HydrophobicContact CD1-CB 4.48Å; I117-I147 HydrophobicContact CD1-CG2 3.32Å; I117-I147 HydrophobicContact CG1-CG2 4.09Å; L139-I147 HydrophobicContact CD1-CD1 3.79Å; L139-I147 HydrophobicContact CG-CD1 4.38Å; L139-I147 WeakPolarHBondContact O-CD1 3.42Å; I142-I147 HydrophobicContact CB-CD1 4.21Å; I142-I147 HydrophobicContact CG2-CD1 4.29Å; V144-I147 HydrophobicContact CB-CG2 4.47Å; V144-I147 HydrophobicContact CG1-CG2 4.32Å; V144-I147 WeakPolarHBondContact O-CG1 3.47Å; V144-I147 PolarHBondContact O-N 3.32Å; T145-I147 PolarHBondContact O-N 3.07Å; I147-I150 WeakPolarHBondContact O-CB 3.46Å; I147-I150 PolarHBondContact O-N 2.94Å; I147-I150 VanDerWaalsContact O-N 3.1Å; I147-M151 HydrophobicContact CD1-CE 4.49Å; I147-M151 HydrophobicContact CG1-CE 4.44Å; I147-M151 PolarHBondContact O-N 3.43Å
148	V	89.2	Confident	89.1	Confident	7 Å²	7	37.6 Å²	37.6	4%	0.042	20%	0.198	C	C	.	.	H	α-helix	trans	-52.1	-49.4	-175.6	157.1	0	0	0	0	113.5	T145 I150 M151 M152 L177 D181 Q184	T145-V148 VanDerWaalsContact O-CB 3.32Å; T145-V148 WeakPolarHBondContact O-CB 3.38Å; T145-V148 WeakPolarHBondContact O-CG2 3.19Å; T145-V148 PolarHBondContact O-N 3.39Å; T145-V148 VanDerWaalsContact O-N 3.07Å; V148-I150 VanDerWaalsContact C-N 3.31Å; V148-I150 PolarHBondContact O-N 3.39Å; V148-M151 PolarHBondContact O-N 3.05Å; V148-M152 WeakPolarHBondContact O-CB 3.23Å; V148-M152 PolarHBondContact O-N 3.34Å; V148-L177 HydrophobicContact CB-CD1 4.27Å; V148-L177 HydrophobicContact CG1-CD1 3.87Å; V148-L177 HydrophobicContact CG2-CD1 3.93Å; V148-D181 HydrophobicContact CG1-CB 4.01Å; V148-D181 HydrophobicContact CG2-CB 3.96Å; V148-Q184 HydrophobicContact CG1-CG 4Å
149	P	90.8	Very high	89.3	Confident	92 Å²	92	37.5 Å²	37.5	60%	0.597	20%	0.199	S	C	*	.	H	α-helix	trans	-64.3	-35	179.3	-23.3	35	0	0	0	113.3	L153	P149-L153 PolarHBondContact O-N 3.39Å; P149-L153 VanDerWaalsContact O-N 3.12Å
150	I	90.3	Very high	89.5	Confident	57 Å²	57	40.6 Å²	40.6	29%	0.292	22%	0.22	S	C	.	.	H	α-helix	trans	-68.3	-42.5	176.8	-64.9	170	0	0	0	110.2	I117 Q121 I147 V148 L153 A154	I117-I150 HydrophobicContact CG2-CD1 4.11Å; I117-I150 HydrophobicContact CG2-CG2 4.18Å; Q121-I150 HydrophobicContact CG-CG2 4.1Å; Q121-I150 VanDerWaalsContact NE2-CG2 3.31Å; I147-I150 WeakPolarHBondContact O-CB 3.46Å; I147-I150 PolarHBondContact O-N 2.94Å; I147-I150 VanDerWaalsContact O-N 3.1Å; V148-I150 VanDerWaalsContact C-N 3.31Å; V148-I150 PolarHBondContact O-N 3.39Å; I150-L153 PolarHBondContact O-N 2.85Å; I150-A154 WeakPolarHBondContact O-CB 3.36Å; I150-A154 PolarHBondContact O-N 2.9Å
151	M	90.7	Very high	89.7	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-66.1	-42.1	176.7	171.2	162.6	38.6	0	0	111.9	I147 V148 L153 A154 I155 L177 L180	I147-M151 HydrophobicContact CD1-CE 4.49Å; I147-M151 HydrophobicContact CG1-CE 4.44Å; I147-M151 PolarHBondContact O-N 3.43Å; V148-M151 PolarHBondContact O-N 3.05Å; M151-L153 PolarHBondContact O-N 3.28Å; M151-A154 PolarHBondContact O-N 3.43Å; M151-I155 HydrophobicContact CG-CD1 3.74Å; M151-I155 HydrophobicContact CG-CG1 4.4Å; M151-I155 WeakPolarHBondContact O-CB 3.44Å; M151-I155 VanDerWaalsContact O-CG1 3.29Å; M151-I155 WeakPolarHBondContact O-CG1 3.35Å; M151-I155 PolarHBondContact O-N 2.96Å; M151-L177 HydrophobicContact CE-CB 4.36Å; M151-L177 HydrophobicContact CE-CD1 3.88Å; M151-L177 HydrophobicContact CG-CB 4.36Å; M151-L177 HydrophobicContact CG-CD1 4.45Å; M151-L177 HydrophobicContact CG-CD2 4.35Å; M151-L177 HydrophobicContact SD-CB 4.07Å; M151-L180 HydrophobicContact CE-CD1 3.84Å
152	M	91.1	Very high	89.9	Confident	6 Å²	6	49 Å²	49	3%	0.03	26%	0.259	C	S	.	.	H	α-helix	trans	-60.4	-44.8	176.1	-175.8	68.2	-88.5	0	0	111.3	V148 I155 K156 L177 Q184 Q187 L188 V191	V148-M152 WeakPolarHBondContact O-CB 3.23Å; V148-M152 PolarHBondContact O-N 3.34Å; M152-I155 HydrophobicContact CE-CB 4.31Å; M152-I155 HydrophobicContact CE-CG2 4.21Å; M152-I155 PolarHBondContact O-N 3.23Å; M152-K156 HydrophobicContact CE-CD 4.03Å; M152-K156 HydrophobicContact CE-CG 3.89Å; M152-K156 PolarHBondContact O-N 3.08Å; M152-L177 HydrophobicContact CB-CD2 3.93Å; M152-L177 HydrophobicContact CE-CD2 4.31Å; M152-L177 HydrophobicContact CG-CD2 4.42Å; M152-L177 HydrophobicContact SD-CD2 3.72Å; M152-Q184 HydrophobicContact SD-CB 4.32Å; M152-Q187 HydrophobicContact SD-CB 3.69Å; M152-L188 HydrophobicContact CE-CD2 3.93Å; M152-L188 HydrophobicContact SD-CD2 4.14Å; M152-L188 HydrophobicContact SD-CG 4.38Å; M152-V191 HydrophobicContact CE-CG2 4.15Å
153	L	91.1	Very high	90.2	Very high	106 Å²	106	49.1 Å²	49.1	56%	0.555	26%	0.261	S	S	*	.	H	α-helix	trans	-63.4	-44.8	174.4	-177	63.3	0	0	0	111.9	P149 I150 M151 I155 K156 E157	P149-L153 PolarHBondContact O-N 3.39Å; P149-L153 VanDerWaalsContact O-N 3.12Å; I150-L153 PolarHBondContact O-N 2.85Å; M151-L153 PolarHBondContact O-N 3.28Å; L153-I155 VanDerWaalsContact C-N 3.31Å; L153-I155 PolarHBondContact O-N 3.17Å; L153-K156 PolarHBondContact O-N 2.95Å; L153-E157 PolarHBondContact O-N 3.13Å
154	A	92.4	Very high	90.6	Very high	6 Å²	6	46.1 Å²	46.1	5%	0.05	26%	0.255	C	S	.	.	H	α-helix	trans	-59.9	-38.7	177.1	0	0	0	0	0	112.8	L124 L136 L139 I150 M151 A158	L124-A154 HydrophobicContact CD1-CB 3.46Å; L124-A154 VanDerWaalsContact CD1-CB 3.46Å; L136-A154 HydrophobicContact CD1-CB 4.13Å; L139-A154 HydrophobicContact CD2-CB 3.9Å; I150-A154 WeakPolarHBondContact O-CB 3.36Å; I150-A154 PolarHBondContact O-N 2.9Å; M151-A154 PolarHBondContact O-N 3.43Å; A154-A158 WeakPolarHBondContact O-CB 3.41Å; A154-A158 PolarHBondContact O-N 3.09Å
155	I	93.7	Very high	90.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68.7	-42.6	175.3	-71.1	168.5	0	0	0	110.7	L136 M151 M152 L153 A158 A159 A173 I174 L177 V191	L136-I155 HydrophobicContact CD1-CG1 4.33Å; M151-I155 HydrophobicContact CG-CD1 3.74Å; M151-I155 HydrophobicContact CG-CG1 4.4Å; M151-I155 WeakPolarHBondContact O-CB 3.44Å; M151-I155 VanDerWaalsContact O-CG1 3.29Å; M151-I155 WeakPolarHBondContact O-CG1 3.35Å; M151-I155 PolarHBondContact O-N 2.96Å; M152-I155 HydrophobicContact CE-CB 4.31Å; M152-I155 HydrophobicContact CE-CG2 4.21Å; M152-I155 PolarHBondContact O-N 3.23Å; L153-I155 VanDerWaalsContact C-N 3.31Å; L153-I155 PolarHBondContact O-N 3.17Å; I155-A158 PolarHBondContact O-N 3.45Å; I155-A159 VanDerWaalsContact O-CB 3.26Å; I155-A159 WeakPolarHBondContact O-CB 3.44Å; I155-A159 PolarHBondContact O-N 3.24Å; I155-A173 HydrophobicContact CD1-CB 3.8Å; I155-A173 HydrophobicContact CG1-CB 3.92Å; I155-I174 HydrophobicContact CG2-CD1 4.43Å; I155-I174 HydrophobicContact CG2-CG1 3.87Å; I155-L177 HydrophobicContact CD1-CB 4.1Å; I155-L177 HydrophobicContact CD1-CD2 3.98Å; I155-V191 HydrophobicContact CG2-CG1 4.09Å
156	K	93.8	Very high	91.4	Very high	59 Å²	59	45.2 Å²	45.2	26%	0.257	24%	0.241	S	C	.	.	H	α-helix	trans	-64.3	-39.1	175.5	-85.8	172.9	174.8	-170.9	0	112.8	M152 L153 S160 Q187 E190 V191	M152-K156 HydrophobicContact CE-CD 4.03Å; M152-K156 HydrophobicContact CE-CG 3.89Å; M152-K156 PolarHBondContact O-N 3.08Å; L153-K156 PolarHBondContact O-N 2.95Å; K156-S160 PolarHBondContact O-OG 2.85Å; K156-Q187 WeakPolarHBondContact CE-O 3.49Å; K156-E190 WeakPolarHBondContact CE-OE2 3.42Å; K156-E190 IonicContact NZ-OE2 3.17Å; K156-E190 PolarHBondContact NZ-OE2 3.26Å; K156-V191 HydrophobicContact CD-CG2 4.37Å; K156-V191 HydrophobicContact CG-CG2 3.5Å; K156-V191 VanDerWaalsContact CG-CG2 3.5Å
157	E	92.1	Very high	91.7	Very high	81 Å²	81	40.9 Å²	40.9	38%	0.379	22%	0.217	S	C	.	.	H	α-helix	trans	-63.9	-54.3	170	-73.5	-169.3	165.6	0	0	110.9	K125 L153 A159 S160	K125-E157 WeakPolarHBondContact CE-OE2 3.43Å; K125-E157 VanDerWaalsContact NZ-CD 3.3Å; K125-E157 IonicContact NZ-OE1 2.69Å; K125-E157 PolarHBondContact NZ-OE1 2.92Å; K125-E157 IonicContact NZ-OE2 2.83Å; K125-E157 PolarHBondContact NZ-OE2 3.36Å; L153-E157 PolarHBondContact O-N 3.13Å; E157-A159 PolarHBondContact O-N 2.87Å; E157-S160 WeakPolarHBondContact O-CA 3.45Å; E157-S160 WeakPolarHBondContact O-CB 3.4Å; E157-S160 PolarHBondContact O-N 3.02Å; E157-S160 PolarHBondContact O-OG 3.1Å
158	A	92.7	Very high	91.9	Very high	8 Å²	8	42.3 Å²	42.3	7%	0.066	22%	0.223	C	C	.	.	H	α-helix	trans	-67.3	-28.6	-173.5	0	0	0	0	0	114.6	L136 A154 I155 S160 D161 V166 A170	L136-A158 HydrophobicContact CD2-CB 3.5Å; A154-A158 WeakPolarHBondContact O-CB 3.41Å; A154-A158 PolarHBondContact O-N 3.09Å; I155-A158 PolarHBondContact O-N 3.45Å; A158-S160 PolarHBondContact O-N 3.31Å; A158-D161 WeakPolarHBondContact O-CB 3.46Å; A158-D161 PolarHBondContact O-N 3.21Å; A158-D161 VanDerWaalsContact O-N 3.14Å; A158-V166 HydrophobicContact CB-CG1 3.99Å; A158-A170 HydrophobicContact CB-CB 3.95Å
159	A	92.9	Very high	92.1	Very high	6 Å²	6	42.2 Å²	42.2	5%	0.05	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-11.3	170	0	0	0	0	0	113.2	I155 E157 R167 V191 L195	I155-A159 VanDerWaalsContact O-CB 3.26Å; I155-A159 WeakPolarHBondContact O-CB 3.44Å; I155-A159 PolarHBondContact O-N 3.24Å; E157-A159 PolarHBondContact O-N 2.87Å; A159-R167 WeakPolarHBondContact O-CD 3.3Å; A159-V191 HydrophobicContact CB-CG1 3.57Å; A159-L195 HydrophobicContact CB-CD1 4.09Å; A159-L195 HydrophobicContact CB-CD2 3.93Å; A159-L195 HydrophobicContact CB-CG 4.04Å
160	S	92	Very high	92.2	Very high	64 Å²	64	37.9 Å²	37.9	45%	0.448	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	0.3	176	-41.9	0	0	0	0	113.2	K156 E157 A158 K194	K156-S160 PolarHBondContact O-OG 2.85Å; E157-S160 WeakPolarHBondContact O-CA 3.45Å; E157-S160 WeakPolarHBondContact O-CB 3.4Å; E157-S160 PolarHBondContact O-N 3.02Å; E157-S160 PolarHBondContact O-OG 3.1Å; A158-S160 PolarHBondContact O-N 3.31Å; S160-K194 PolarHBondContact OG-NZ 3.36Å
161	D	93.6	Very high	92.3	Very high	26 Å²	26	35.1 Å²	35.1	14%	0.139	18%	0.18	C	C	.	.			trans	-64.4	145.3	-174.3	-163	-70.7	0	0	0	112.1	R132 A158 S163 V166 R167	R132-D161 IonicContact CZ-OD1 3.05Å; R132-D161 IonicContact CZ-OD2 3.24Å; R132-D161 IonicContact NE-OD1 2.75Å; R132-D161 IonicContact NE-OD2 3.41Å; R132-D161 PolarHBondContact NE-OD2 3.04Å; R132-D161 IonicContact NH2-OD1 3.85Å; R132-D161 PolarHBondContact NH2-OD1 3.32Å; R132-D161 IonicContact NH2-OD2 2.66Å; R132-D161 PolarHBondContact NH2-OD2 3.29Å; R132-D161 VanDerWaalsContact NH2-OD2 3.15Å; A158-D161 WeakPolarHBondContact O-CB 3.46Å; A158-D161 PolarHBondContact O-N 3.21Å; A158-D161 VanDerWaalsContact O-N 3.14Å; D161-S163 PolarHBondContact O-N 3.28Å; D161-S163 VanDerWaalsContact OD1-CB 3.3Å; D161-S163 WeakPolarHBondContact OD1-CB 3.45Å; D161-S163 PolarHBondContact OD1-N 3.37Å; D161-V166 HydrophobicContact CB-CB 3.76Å; D161-V166 HydrophobicContact CB-CG1 3.61Å; D161-R167 HydrophobicContact CB-CG 4.32Å; D161-R167 VanDerWaalsContact O-CD 3.28Å; D161-R167 WeakPolarHBondContact O-CD 3.15Å; D161-R167 WeakPolarHBondContact O-CG 3.37Å; D161-R167 PolarHBondContact O-NH1 3.22Å
162	M	90	Very high	92.4	Very high	176 Å²	176	37.1 Å²	37.1	87%	0.867	19%	0.189	S	C	*	.	S	Bend	trans	-59.6	-33.6	175.6	-60.4	-60.2	-69.8	0	0	112.3	P164 R167	M162-P164 WeakPolarHBondContact O-CD 3.29Å; M162-R167 PolarHBondContact O-NH1 2.65Å
163	S	92.3	Very high	92.4	Very high	7 Å²	7	36.8 Å²	36.8	5%	0.049	19%	0.188	C	C	.	.			trans	-79.9	123.3	-178.5	179	0	0	0	0	112.8	Q129 D161 Y165 V166 R167	Q129-S163 VanDerWaalsContact OE1-CB 3.3Å; Q129-S163 PolarHBondContact OE1-OG 3.47Å; D161-S163 PolarHBondContact O-N 3.28Å; D161-S163 VanDerWaalsContact OD1-CB 3.3Å; D161-S163 WeakPolarHBondContact OD1-CB 3.45Å; D161-S163 PolarHBondContact OD1-N 3.37Å; S163-Y165 PolarHBondContact O-N 2.65Å; S163-Y165 PolarHBondContact OG-N 3.48Å; S163-V166 PolarHBondContact O-N 3.2Å; S163-R167 PolarHBondContact O-N 2.97Å; S163-R167 VanDerWaalsContact O-N 3.13Å
164	P	91.1	Very high	92.4	Very high	42 Å²	42	31.8 Å²	31.8	27%	0.273	16%	0.161	S	C	.	.	H	α-helix	trans	-58.8	-27.9	170.3	-23.3	34.5	0	0	0	113.3	M162 R167 K168 T200 L202 V203	M162-P164 WeakPolarHBondContact O-CD 3.29Å; P164-R167 PolarHBondContact O-N 2.74Å; P164-K168 VanDerWaalsContact O-CB 3.31Å; P164-K168 WeakPolarHBondContact O-CB 3.41Å; P164-K168 PolarHBondContact O-N 3.48Å; P164-T200 HydrophobicContact CG-CG2 4.17Å; P164-L202 HydrophobicContact CB-CD2 4.22Å; P164-V203 HydrophobicContact CB-CG2 4.05Å; P164-V203 WeakPolarHBondContact O-CG2 3.3Å
165	Y	91	Very high	92.4	Very high	80 Å²	80	32.5 Å²	32.5	31%	0.314	17%	0.165	S	C	.	.	H	α-helix	trans	-70	-36.1	178.2	-174.3	-102.5	0	0	0	112.5	L130 A133 R137 S163 T169	L130-Y165 HydrophobicContact CD2-CD1 4.04Å; L130-Y165 HydrophobicContact CD2-CE1 3.82Å; A133-Y165 HydrophobicContact CB-CD1 3.59Å; A133-Y165 HydrophobicContact CB-CE1 3.48Å; A133-Y165 VanDerWaalsContact CB-CE1 3.48Å; R137-Y165 PolarHBondContact NH2-OH 2.87Å; S163-Y165 PolarHBondContact O-N 2.65Å; S163-Y165 PolarHBondContact OG-N 3.48Å; Y165-T169 WeakPolarHBondContact O-CB 3.35Å; Y165-T169 PolarHBondContact O-N 2.91Å; Y165-T169 VanDerWaalsContact O-N 3.08Å; Y165-T169 PolarHBondContact O-OG1 3.39Å
166	V	93.3	Very high	92.2	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.012	18%	0.176	C	C	.	.	H	α-helix	trans	-70.7	-44.6	174	179.7	0	0	0	0	110	Q129 R132 A133 A158 D161 S163 K168 T169 A170	Q129-V166 HydrophobicContact CB-CG2 4.1Å; Q129-V166 WeakPolarHBondContact O-CG2 2.99Å; R132-V166 HydrophobicContact CB-CG2 4.1Å; A133-V166 HydrophobicContact CB-CG2 4.23Å; A158-V166 HydrophobicContact CB-CG1 3.99Å; D161-V166 HydrophobicContact CB-CB 3.76Å; D161-V166 HydrophobicContact CB-CG1 3.61Å; S163-V166 PolarHBondContact O-N 3.2Å; V166-K168 PolarHBondContact O-N 2.68Å; V166-T169 CarbonylContact O-C 3.51Å; V166-T169 WeakPolarHBondContact O-CA 3.34Å; V166-T169 WeakPolarHBondContact O-CB 3.27Å; V166-T169 PolarHBondContact O-N 3.3Å; V166-A170 PolarHBondContact O-N 2.94Å
167	R	94.5	Very high	92	Very high	32 Å²	32	32.1 Å²	32.1	12%	0.121	16%	0.164	C	C	.	.	H	α-helix	trans	-62.3	-39.8	176	-62.1	-164.1	-53.8	-85.1	3.6	112.9	A159 D161 M162 S163 P164 T169 A170 A171 L195 D198 T200 V203	A159-R167 WeakPolarHBondContact O-CD 3.3Å; D161-R167 HydrophobicContact CB-CG 4.32Å; D161-R167 VanDerWaalsContact O-CD 3.28Å; D161-R167 WeakPolarHBondContact O-CD 3.15Å; D161-R167 WeakPolarHBondContact O-CG 3.37Å; D161-R167 PolarHBondContact O-NH1 3.22Å; M162-R167 PolarHBondContact O-NH1 2.65Å; S163-R167 PolarHBondContact O-N 2.97Å; S163-R167 VanDerWaalsContact O-N 3.13Å; P164-R167 PolarHBondContact O-N 2.74Å; R167-T169 VanDerWaalsContact C-N 3.31Å; R167-T169 PolarHBondContact O-N 3.18Å; R167-A170 WeakPolarHBondContact O-CB 3.2Å; R167-A170 PolarHBondContact O-N 2.84Å; R167-A171 PolarHBondContact O-N 2.96Å; R167-L195 HydrophobicContact CB-CD2 4.15Å; R167-D198 IonicContact CZ-OD2 3.15Å; R167-D198 IonicContact NE-OD2 3.85Å; R167-D198 PolarHBondContact NE-OD2 2.85Å; R167-D198 IonicContact NH2-OD1 3.78Å; R167-D198 PolarHBondContact NH2-OD1 2.8Å; R167-D198 IonicContact NH2-OD2 3.33Å; R167-D198 PolarHBondContact NH2-OD2 2.73Å; R167-T200 PolarHBondContact NH2-OG1 3.4Å; R167-V203 HydrophobicContact CB-CG1 4.44Å; R167-V203 HydrophobicContact CB-CG2 4.07Å
168	K	92	Very high	91.9	Very high	30 Å²	30	31 Å²	31	13%	0.13	16%	0.157	C	C	.	.	H	α-helix	trans	-58.4	-42.8	170.1	-169.3	-170.6	-174.3	179	0	111.4	P164 V166 A171 H172 L202 V203 S206 E237	P164-K168 VanDerWaalsContact O-CB 3.31Å; P164-K168 WeakPolarHBondContact O-CB 3.41Å; P164-K168 PolarHBondContact O-N 3.48Å; V166-K168 PolarHBondContact O-N 2.68Å; K168-A171 WeakPolarHBondContact O-CB 3.32Å; K168-A171 PolarHBondContact O-N 2.93Å; K168-H172 PolarHBondContact O-CD2 3.4Å; K168-H172 PolarHBondContact O-N 2.92Å; K168-H172 VanDerWaalsContact O-N 3.17Å; K168-L202 HydrophobicContact CD-CD1 4.39Å; K168-L202 HydrophobicContact CD-CG 4.24Å; K168-L202 VanDerWaalsContact CD-O 3.31Å; K168-L202 WeakPolarHBondContact CD-O 3.45Å; K168-L202 WeakPolarHBondContact CG-O 3.5Å; K168-V203 HydrophobicContact CB-CG2 4.38Å; K168-S206 WeakPolarHBondContact CE-OG 3.29Å; K168-S206 WeakPolarHBondContact CG-OG 3.32Å; K168-E237 IonicContact NZ-OE1 2.62Å; K168-E237 PolarHBondContact NZ-OE1 2.92Å; K168-E237 IonicContact NZ-OE2 2.97Å; K168-E237 PolarHBondContact NZ-OE2 2.92Å
169	T	91.9	Very high	91.8	Very high	6 Å²	6	34.7 Å²	34.7	4%	0.037	18%	0.182	C	C	.	.	H	α-helix	trans	-70.1	-32.2	178.5	-55.3	0	0	0	0	112.2	A133 L136 R137 Y165 V166 R167 H172 A173	A133-T169 HydrophobicContact CB-CG2 4.34Å; A133-T169 WeakPolarHBondContact O-CG2 3.13Å; L136-T169 HydrophobicContact CB-CG2 4.5Å; L136-T169 HydrophobicContact CD2-CG2 4.4Å; R137-T169 HydrophobicContact CB-CG2 4.17Å; Y165-T169 WeakPolarHBondContact O-CB 3.35Å; Y165-T169 PolarHBondContact O-N 2.91Å; Y165-T169 VanDerWaalsContact O-N 3.08Å; Y165-T169 PolarHBondContact O-OG1 3.39Å; V166-T169 CarbonylContact O-C 3.51Å; V166-T169 WeakPolarHBondContact O-CA 3.34Å; V166-T169 WeakPolarHBondContact O-CB 3.27Å; V166-T169 PolarHBondContact O-N 3.3Å; R167-T169 VanDerWaalsContact C-N 3.31Å; R167-T169 PolarHBondContact O-N 3.18Å; T169-H172 PolarHBondContact O-N 2.86Å; T169-A173 PolarHBondContact O-N 3.23Å; T169-A173 VanDerWaalsContact O-N 3.17Å
170	A	94	Very high	91.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.8	-43.1	171	0	0	0	0	0	111.7	L136 A158 V166 R167 H172 A173 I174	L136-A170 HydrophobicContact CD2-CB 3.98Å; A158-A170 HydrophobicContact CB-CB 3.95Å; V166-A170 PolarHBondContact O-N 2.94Å; R167-A170 WeakPolarHBondContact O-CB 3.2Å; R167-A170 PolarHBondContact O-N 2.84Å; A170-H172 VanDerWaalsContact C-N 3.32Å; A170-H172 PolarHBondContact O-N 2.89Å; A170-A173 WeakPolarHBondContact O-CB 3.39Å; A170-A173 PolarHBondContact O-N 2.86Å; A170-I174 PolarHBondContact O-N 2.65Å
171	A	93.1	Very high	91.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57.5	-42.8	173	0	0	0	0	0	112.3	R167 K168 A173 I174 P175 L195 V207	R167-A171 PolarHBondContact O-N 2.96Å; K168-A171 WeakPolarHBondContact O-CB 3.32Å; K168-A171 PolarHBondContact O-N 2.93Å; A171-A173 PolarHBondContact O-N 2.8Å; A171-I174 PolarHBondContact O-N 2.84Å; A171-P175 VanDerWaalsContact O-CD 3.23Å; A171-P175 WeakPolarHBondContact O-CD 3.42Å; A171-L195 HydrophobicContact CB-CD1 4.3Å; A171-V207 HydrophobicContact CB-CG2 3.71Å
172	H	90.9	Very high	91.1	Very high	42 Å²	42	37.1 Å²	37.1	19%	0.194	19%	0.193	C	C	.	.	H	α-helix	trans	-69	-12.5	174.4	-74.7	-66.8	0	0	0	115.2	L16 K168 T169 A170 S206 M209	L16-H172 HydrophobicContact CD1-CB 4.23Å; L16-H172 HydrophobicContact CD2-CB 4.3Å; K168-H172 PolarHBondContact O-CD2 3.4Å; K168-H172 PolarHBondContact O-N 2.92Å; K168-H172 VanDerWaalsContact O-N 3.17Å; T169-H172 PolarHBondContact O-N 2.86Å; A170-H172 VanDerWaalsContact C-N 3.32Å; A170-H172 PolarHBondContact O-N 2.89Å; H172-S206 PolarHBondContact CD2-OG 2.86Å; H172-S206 PolarHBondContact CE1-OG 3.49Å; H172-S206 PolarHBondContact NE2-OG 2.91Å; H172-M209 WeakPolarHBondContact ND1-CE 3.44Å
173	A	91.2	Very high	91.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-89.2	-21.9	175.4	0	0	0	0	0	112.7	I155 T169 A170 A171 K176 L177	I155-A173 HydrophobicContact CD1-CB 3.8Å; I155-A173 HydrophobicContact CG1-CB 3.92Å; T169-A173 PolarHBondContact O-N 3.23Å; T169-A173 VanDerWaalsContact O-N 3.17Å; A170-A173 WeakPolarHBondContact O-CB 3.39Å; A170-A173 PolarHBondContact O-N 2.86Å; A171-A173 PolarHBondContact O-N 2.8Å; A173-K176 PolarHBondContact O-N 3.32Å; A173-L177 PolarHBondContact O-N 2.88Å
174	I	92.4	Very high	90.8	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-61.7	-51	-177.3	-71	169.9	0	0	0	112.5	I155 A170 A171 K176 L177 Y178 L188 V191 I192 L195 A210 V214	I155-I174 HydrophobicContact CG2-CD1 4.43Å; I155-I174 HydrophobicContact CG2-CG1 3.87Å; A170-I174 PolarHBondContact O-N 2.65Å; A171-I174 PolarHBondContact O-N 2.84Å; I174-K176 PolarHBondContact O-N 2.94Å; I174-L177 PolarHBondContact O-N 3.41Å; I174-Y178 PolarHBondContact O-N 3.44Å; I174-L188 HydrophobicContact CB-CD2 4.22Å; I174-L188 HydrophobicContact CG1-CD2 3.98Å; I174-L188 HydrophobicContact CG2-CB 4.31Å; I174-L188 HydrophobicContact CG2-CD1 4.35Å; I174-L188 HydrophobicContact CG2-CD2 3.88Å; I174-L188 HydrophobicContact CG2-CG 4.42Å; I174-V191 HydrophobicContact CD1-CB 4.3Å; I174-V191 HydrophobicContact CD1-CG1 3.78Å; I174-I192 HydrophobicContact CD1-CG1 4.05Å; I174-I192 HydrophobicContact CG2-CD1 3.96Å; I174-I192 HydrophobicContact CG2-CG1 4.12Å; I174-L195 HydrophobicContact CD1-CD1 4.02Å; I174-A210 HydrophobicContact CB-CB 4.24Å; I174-A210 HydrophobicContact CG2-CB 4.17Å; I174-V214 HydrophobicContact CG2-CG2 3.93Å
175	P	91.3	Very high	90.6	Very high	20 Å²	20	38.7 Å²	38.7	13%	0.13	19%	0.193	C	C	.	.	H	α-helix	trans	-55.3	-36.8	172.8	-31.7	39.3	0	0	0	114.1	A171 Y178 S179 M209 A210 E213	A171-P175 VanDerWaalsContact O-CD 3.23Å; A171-P175 WeakPolarHBondContact O-CD 3.42Å; P175-Y178 PolarHBondContact O-N 3.3Å; P175-S179 WeakPolarHBondContact O-CB 3.31Å; P175-S179 PolarHBondContact O-N 3.24Å; P175-S179 PolarHBondContact O-OG 3.23Å; P175-M209 HydrophobicContact CG-CE 4.11Å; P175-M209 HydrophobicContact CG-SD 3.94Å; P175-A210 HydrophobicContact CG-CB 4.1Å; P175-E213 HydrophobicContact CB-CG 4.2Å; P175-E213 HydrophobicContact CG-CB 4.45Å
176	K	89.8	Confident	90.5	Very high	51 Å²	51	40.6 Å²	40.6	22%	0.222	21%	0.209	C	C	.	.	H	α-helix	trans	-69.7	-43.5	-177.9	-58.3	-171.2	179.8	-177.9	0	111.6	S140 S141 A173 I174 S179 L180	S140-K176 VanDerWaalsContact O-CB 3.29Å; S140-K176 WeakPolarHBondContact O-CB 3.24Å; S140-K176 WeakPolarHBondContact O-CD 3.5Å; S141-K176 PolarHBondContact OG-NZ 3.05Å; A173-K176 PolarHBondContact O-N 3.32Å; I174-K176 PolarHBondContact O-N 2.94Å; K176-S179 PolarHBondContact O-N 2.68Å; K176-S179 PolarHBondContact O-OG 3.29Å; K176-L180 WeakPolarHBondContact O-CG 3.42Å; K176-L180 PolarHBondContact O-N 3.37Å
177	L	90.1	Very high	90.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.3	-45.8	172.6	173.5	55.1	0	0	0	110.8	V148 M151 M152 I155 A173 I174 S179 L180 D181 L188	V148-L177 HydrophobicContact CB-CD1 4.27Å; V148-L177 HydrophobicContact CG1-CD1 3.87Å; V148-L177 HydrophobicContact CG2-CD1 3.93Å; M151-L177 HydrophobicContact CE-CB 4.36Å; M151-L177 HydrophobicContact CE-CD1 3.88Å; M151-L177 HydrophobicContact CG-CB 4.36Å; M151-L177 HydrophobicContact CG-CD1 4.45Å; M151-L177 HydrophobicContact CG-CD2 4.35Å; M151-L177 HydrophobicContact SD-CB 4.07Å; M152-L177 HydrophobicContact CB-CD2 3.93Å; M152-L177 HydrophobicContact CE-CD2 4.31Å; M152-L177 HydrophobicContact CG-CD2 4.42Å; M152-L177 HydrophobicContact SD-CD2 3.72Å; I155-L177 HydrophobicContact CD1-CB 4.1Å; I155-L177 HydrophobicContact CD1-CD2 3.98Å; A173-L177 PolarHBondContact O-N 2.88Å; I174-L177 PolarHBondContact O-N 3.41Å; L177-S179 VanDerWaalsContact C-N 3.3Å; L177-S179 PolarHBondContact O-N 2.93Å; L177-L180 PolarHBondContact O-N 3.16Å; L177-D181 PolarHBondContact O-N 3.1Å; L177-L188 HydrophobicContact CD2-CD1 4.5Å; L177-L188 HydrophobicContact CD2-CD2 3.86Å; L177-L188 HydrophobicContact CD2-CG 4.39Å; L177-L188 HydrophobicContact CG-CD1 4.27Å; L177-L188 HydrophobicContact CG-CD2 4.42Å
178	Y	90.4	Very high	90.2	Very high	59 Å²	59	42.6 Å²	42.6	23%	0.231	22%	0.219	C	C	.	.	H	α-helix	trans	-59.6	-37.4	176.7	-177	-121	0	0	0	113.3	I174 P175 L180 D181 P182 K185 V214	I174-Y178 PolarHBondContact O-N 3.44Å; P175-Y178 PolarHBondContact O-N 3.3Å; Y178-L180 PolarHBondContact O-N 2.67Å; Y178-D181 CarbonylContact O-C 3.5Å; Y178-P182 HydrophobicContact CD2-CB 4.43Å; Y178-P182 HydrophobicContact CE2-CB 4.08Å; Y178-K185 HydrophobicContact CE2-CB 4.16Å; Y178-K185 HydrophobicContact CE2-CD 4.21Å; Y178-K185 HydrophobicContact CE2-CG 4.21Å; Y178-V214 HydrophobicContact CD1-CB 4.23Å; Y178-V214 HydrophobicContact CD1-CG1 4.29Å; Y178-V214 HydrophobicContact CD1-CG2 3.79Å; Y178-V214 HydrophobicContact CD2-CG1 4.02Å; Y178-V214 HydrophobicContact CE2-CG1 4.34Å; Y178-V214 HydrophobicContact CG-CB 4.36Å; Y178-V214 HydrophobicContact CG-CG1 4Å; Y178-V214 HydrophobicContact CG-CG2 3.86Å
179	S	89.6	Confident	90.1	Very high	85 Å²	85	42 Å²	42	59%	0.594	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-12.1	175.4	75.2	0	0	0	0	114.9	P175 K176 L177	P175-S179 WeakPolarHBondContact O-CB 3.31Å; P175-S179 PolarHBondContact O-N 3.24Å; P175-S179 PolarHBondContact O-OG 3.23Å; K176-S179 PolarHBondContact O-N 2.68Å; K176-S179 PolarHBondContact O-OG 3.29Å; L177-S179 VanDerWaalsContact C-N 3.3Å; L177-S179 PolarHBondContact O-N 2.93Å
180	L	87.6	Confident	90	Very high	35 Å²	35	47.1 Å²	47.1	18%	0.183	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-36.6	179.9	-71	168.3	0	0	0	112.4	R143 M151 K176 L177 Y178	R143-L180 HydrophobicContact CB-CD2 3.67Å; R143-L180 HydrophobicContact CG-CD2 3.94Å; M151-L180 HydrophobicContact CE-CD1 3.84Å; K176-L180 WeakPolarHBondContact O-CG 3.42Å; K176-L180 PolarHBondContact O-N 3.37Å; L177-L180 PolarHBondContact O-N 3.16Å; Y178-L180 PolarHBondContact O-N 2.67Å
181	D	88.8	Confident	89.9	Confident	29 Å²	29	47.3 Å²	47.3	16%	0.155	24%	0.242	C	C	.	.			trans	-144.9	100.7	173.8	-180	12.1	0	0	0	111	V148 L177 Y178 E183 Q184	V148-D181 HydrophobicContact CG1-CB 4.01Å; V148-D181 HydrophobicContact CG2-CB 3.96Å; L177-D181 PolarHBondContact O-N 3.1Å; Y178-D181 CarbonylContact O-C 3.5Å; D181-E183 PolarHBondContact O-N 3.01Å; D181-E183 VanDerWaalsContact OD1-CB 3.24Å; D181-E183 WeakPolarHBondContact OD1-CB 3.33Å; D181-E183 WeakPolarHBondContact OD1-CG 3.39Å; D181-E183 PolarHBondContact OD1-N 3.35Å; D181-Q184 HydrophobicContact CB-CG 4.37Å; D181-Q184 PolarHBondContact O-N 3.43Å; D181-Q184 WeakPolarHBondContact OD2-CG 3.43Å; D181-Q184 PolarHBondContact OD2-NE2 3.28Å
182	P	88.5	Confident	89.9	Confident	82 Å²	82	47.3 Å²	47.3	53%	0.532	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-64.8	-18.3	173.8	-23.7	35.4	0	0	0	114.7	Y178 Q184 K185	Y178-P182 HydrophobicContact CD2-CB 4.43Å; Y178-P182 HydrophobicContact CE2-CB 4.08Å; P182-Q184 PolarHBondContact O-N 2.82Å; P182-K185 WeakPolarHBondContact O-CB 3.38Å; P182-K185 PolarHBondContact O-N 3.3Å
183	E	89	Confident	89.9	Confident	170 Å²	170	48.8 Å²	48.8	79%	0.794	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-66.6	-22.2	-179.1	-58.8	-174	-179.6	0	0	112	D181 K185	D181-E183 PolarHBondContact O-N 3.01Å; D181-E183 VanDerWaalsContact OD1-CB 3.24Å; D181-E183 WeakPolarHBondContact OD1-CB 3.33Å; D181-E183 WeakPolarHBondContact OD1-CG 3.39Å; D181-E183 PolarHBondContact OD1-N 3.35Å; E183-K185 PolarHBondContact O-N 3.06Å
184	Q	85.6	Confident	89.9	Confident	37 Å²	37	54.1 Å²	54.1	17%	0.173	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-78.7	6	176.1	-50	-48.7	-46.3	0	0	114.4	V148 M152 D181 P182 D186 Q187 L188	V148-Q184 HydrophobicContact CG1-CG 4Å; M152-Q184 HydrophobicContact SD-CB 4.32Å; D181-Q184 HydrophobicContact CB-CG 4.37Å; D181-Q184 PolarHBondContact O-N 3.43Å; D181-Q184 WeakPolarHBondContact OD2-CG 3.43Å; D181-Q184 PolarHBondContact OD2-NE2 3.28Å; P182-Q184 PolarHBondContact O-N 2.82Å; Q184-D186 VanDerWaalsContact C-N 3.3Å; Q184-D186 PolarHBondContact O-N 3.44Å; Q184-Q187 PolarHBondContact O-N 3.5Å; Q184-Q187 VanDerWaalsContact O-N 3.09Å; Q184-L188 WeakPolarHBondContact O-CG 3.23Å; Q184-L188 PolarHBondContact O-N 3.36Å
185	K	88.2	Confident	89.8	Confident	52 Å²	52	54.3 Å²	54.3	23%	0.226	27%	0.273	C	S	.	.	H	α-helix	trans	-48.9	-46	-175.1	-175.4	175.1	177.1	179.4	0	113.1	Y178 P182 E183 L188 I189 V214 E217	Y178-K185 HydrophobicContact CE2-CB 4.16Å; Y178-K185 HydrophobicContact CE2-CD 4.21Å; Y178-K185 HydrophobicContact CE2-CG 4.21Å; P182-K185 WeakPolarHBondContact O-CB 3.38Å; P182-K185 PolarHBondContact O-N 3.3Å; E183-K185 PolarHBondContact O-N 3.06Å; K185-L188 WeakPolarHBondContact O-CB 3.46Å; K185-L188 PolarHBondContact O-N 2.78Å; K185-I189 HydrophobicContact CG-CD1 3.99Å; K185-I189 VanDerWaalsContact O-CG1 3.31Å; K185-I189 WeakPolarHBondContact O-CG1 3.42Å; K185-I189 PolarHBondContact O-N 3.43Å; K185-V214 WeakPolarHBondContact CE-O 3.32Å; K185-V214 HydrophobicContact CG-CG1 4.37Å; K185-E217 IonicContact NZ-OE2 2.7Å; K185-E217 PolarHBondContact NZ-OE2 3.25Å
186	D	89.4	Confident	89.8	Confident	120 Å²	120	53.8 Å²	53.8	64%	0.642	27%	0.269	S	S	*	.	H	α-helix	trans	-67.8	-41.8	-179.2	-66.4	-39.3	0	0	0	112.7	Q184 L188 I189 E190	Q184-D186 VanDerWaalsContact C-N 3.3Å; Q184-D186 PolarHBondContact O-N 3.44Å; D186-L188 VanDerWaalsContact C-N 3.26Å; D186-L188 PolarHBondContact O-N 3.02Å; D186-I189 WeakPolarHBondContact O-CB 3.46Å; D186-I189 PolarHBondContact O-N 2.85Å; D186-E190 PolarHBondContact O-N 3.35Å; D186-E190 VanDerWaalsContact O-N 3.17Å
187	Q	88.9	Confident	89.7	Confident	76 Å²	76	54.2 Å²	54.2	36%	0.355	28%	0.282	S	S	.	.	H	α-helix	trans	-66.9	-28.1	175.5	-67.1	-157.3	70.6	0	0	113.1	M152 K156 Q184 V191	M152-Q187 HydrophobicContact SD-CB 3.69Å; K156-Q187 WeakPolarHBondContact CE-O 3.49Å; Q184-Q187 PolarHBondContact O-N 3.5Å; Q184-Q187 VanDerWaalsContact O-N 3.09Å; Q187-V191 WeakPolarHBondContact O-CG2 3.38Å
188	L	90.6	Very high	89.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-73.4	-39.1	172	-74	176.6	0	0	0	111.5	M152 I174 L177 Q184 K185 D186 E190 V191 I192 V214	M152-L188 HydrophobicContact CE-CD2 3.93Å; M152-L188 HydrophobicContact SD-CD2 4.14Å; M152-L188 HydrophobicContact SD-CG 4.38Å; I174-L188 HydrophobicContact CB-CD2 4.22Å; I174-L188 HydrophobicContact CG1-CD2 3.98Å; I174-L188 HydrophobicContact CG2-CB 4.31Å; I174-L188 HydrophobicContact CG2-CD1 4.35Å; I174-L188 HydrophobicContact CG2-CD2 3.88Å; I174-L188 HydrophobicContact CG2-CG 4.42Å; L177-L188 HydrophobicContact CD2-CD1 4.5Å; L177-L188 HydrophobicContact CD2-CD2 3.86Å; L177-L188 HydrophobicContact CD2-CG 4.39Å; L177-L188 HydrophobicContact CG-CD1 4.27Å; L177-L188 HydrophobicContact CG-CD2 4.42Å; Q184-L188 WeakPolarHBondContact O-CG 3.23Å; Q184-L188 PolarHBondContact O-N 3.36Å; K185-L188 WeakPolarHBondContact O-CB 3.46Å; K185-L188 PolarHBondContact O-N 2.78Å; D186-L188 VanDerWaalsContact C-N 3.26Å; D186-L188 PolarHBondContact O-N 3.02Å; L188-E190 VanDerWaalsContact C-N 3.34Å; L188-E190 PolarHBondContact O-N 3.25Å; L188-V191 PolarHBondContact O-N 3.03Å; L188-V191 VanDerWaalsContact O-N 3.07Å; L188-I192 WeakPolarHBondContact O-CG1 3.17Å; L188-I192 PolarHBondContact O-N 2.93Å; L188-V214 HydrophobicContact CB-CG1 4.44Å; L188-V214 HydrophobicContact CD1-CG1 4.48Å
189	I	90.6	Very high	89.2	Confident	16 Å²	16	60.9 Å²	60.9	8%	0.082	31%	0.314	C	S	.	.	H	α-helix	trans	-59.6	-41.7	175.8	-75.3	164.5	0	0	0	111.6	K185 D186 V191 I192 E193 C215 R218 L221	K185-I189 HydrophobicContact CG-CD1 3.99Å; K185-I189 VanDerWaalsContact O-CG1 3.31Å; K185-I189 WeakPolarHBondContact O-CG1 3.42Å; K185-I189 PolarHBondContact O-N 3.43Å; D186-I189 WeakPolarHBondContact O-CB 3.46Å; D186-I189 PolarHBondContact O-N 2.85Å; I189-V191 VanDerWaalsContact C-N 3.25Å; I189-V191 PolarHBondContact O-N 2.91Å; I189-I192 PolarHBondContact O-N 2.94Å; I189-E193 PolarHBondContact O-N 3.21Å; I189-C215 HydrophobicContact CD1-CB 4.05Å; I189-C215 HydrophobicContact CG1-CB 3.99Å; I189-R218 HydrophobicContact CD1-CG 4.42Å; I189-L221 HydrophobicContact CG2-CD1 4.15Å
190	E	90.6	Very high	89.1	Confident	114 Å²	114	59 Å²	59	53%	0.533	30%	0.299	S	S	.	.	H	α-helix	trans	-54.4	-41.6	172.7	-64.6	178.4	141.5	0	0	112.3	K156 D186 L188 K194	K156-E190 WeakPolarHBondContact CE-OE2 3.42Å; K156-E190 IonicContact NZ-OE2 3.17Å; K156-E190 PolarHBondContact NZ-OE2 3.26Å; D186-E190 PolarHBondContact O-N 3.35Å; D186-E190 VanDerWaalsContact O-N 3.17Å; L188-E190 VanDerWaalsContact C-N 3.34Å; L188-E190 PolarHBondContact O-N 3.25Å; E190-K194 WeakPolarHBondContact O-CB 3.28Å; E190-K194 PolarHBondContact O-N 3.09Å
191	V	91.9	Very high	89.1	Confident	5 Å²	5	59.4 Å²	59.4	3%	0.03	30%	0.303	C	S	.	.	H	α-helix	trans	-74.4	-39.2	-179.7	-178.6	0	0	0	0	111	M152 I155 K156 A159 I174 Q187 L188 I189 K194 L195	M152-V191 HydrophobicContact CE-CG2 4.15Å; I155-V191 HydrophobicContact CG2-CG1 4.09Å; K156-V191 HydrophobicContact CD-CG2 4.37Å; K156-V191 HydrophobicContact CG-CG2 3.5Å; K156-V191 VanDerWaalsContact CG-CG2 3.5Å; A159-V191 HydrophobicContact CB-CG1 3.57Å; I174-V191 HydrophobicContact CD1-CB 4.3Å; I174-V191 HydrophobicContact CD1-CG1 3.78Å; Q187-V191 WeakPolarHBondContact O-CG2 3.38Å; L188-V191 PolarHBondContact O-N 3.03Å; L188-V191 VanDerWaalsContact O-N 3.07Å; I189-V191 VanDerWaalsContact C-N 3.25Å; I189-V191 PolarHBondContact O-N 2.91Å; V191-K194 PolarHBondContact O-N 3.31Å; V191-L195 HydrophobicContact CG1-CD1 3.86Å; V191-L195 HydrophobicContact CG1-CG 4.31Å; V191-L195 WeakPolarHBondContact O-CB 3.48Å; V191-L195 VanDerWaalsContact O-CG 3.32Å; V191-L195 WeakPolarHBondContact O-CG 3.42Å; V191-L195 PolarHBondContact O-N 3.15Å
192	I	92.3	Very high	89.1	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.9	-45.6	175.1	-67.2	168.4	0	0	0	110.3	I174 L188 I189 K194 L195 L196 V207 F211 V214	I174-I192 HydrophobicContact CD1-CG1 4.05Å; I174-I192 HydrophobicContact CG2-CD1 3.96Å; I174-I192 HydrophobicContact CG2-CG1 4.12Å; L188-I192 WeakPolarHBondContact O-CG1 3.17Å; L188-I192 PolarHBondContact O-N 2.93Å; I189-I192 PolarHBondContact O-N 2.94Å; I192-K194 PolarHBondContact O-N 2.99Å; I192-L195 PolarHBondContact O-N 2.97Å; I192-L196 HydrophobicContact CG2-CD1 3.87Å; I192-L196 HydrophobicContact CG2-CG 4.15Å; I192-L196 WeakPolarHBondContact O-CB 3.46Å; I192-L196 WeakPolarHBondContact O-CG 3.36Å; I192-L196 PolarHBondContact O-N 3.08Å; I192-V207 HydrophobicContact CG2-CG1 4.35Å; I192-F211 HydrophobicContact CG2-CB 4.13Å; I192-F211 HydrophobicContact CG2-CD2 4.27Å; I192-V214 HydrophobicContact CD1-CB 4.17Å; I192-V214 HydrophobicContact CD1-CG1 4.33Å
193	E	91.6	Very high	89.1	Confident	73 Å²	73	57.5 Å²	57.5	34%	0.341	29%	0.288	S	S	.	.	H	α-helix	trans	-60.8	-45.6	177.4	-178.4	164	-148.8	0	0	111.8	I189 L195 L196 A197 L221 K224	I189-E193 PolarHBondContact O-N 3.21Å; E193-L195 VanDerWaalsContact C-N 3.31Å; E193-L195 PolarHBondContact O-N 3.2Å; E193-L196 PolarHBondContact O-N 3.43Å; E193-A197 PolarHBondContact O-N 3.5Å; E193-A197 VanDerWaalsContact O-N 3.14Å; E193-L221 HydrophobicContact CB-CD2 4Å; E193-L221 HydrophobicContact CG-CD2 4.05Å; E193-K224 IonicContact OE1-NZ 3.86Å; E193-K224 PolarHBondContact OE1-NZ 3.07Å
194	K	91.1	Very high	89.1	Confident	112 Å²	112	50 Å²	50	49%	0.487	26%	0.255	S	S	.	.	H	α-helix	trans	-59.8	-39.3	176.1	-174.7	-178.3	-179.1	-179.9	0	112.5	S160 E190 V191 I192	S160-K194 PolarHBondContact OG-NZ 3.36Å; E190-K194 WeakPolarHBondContact O-CB 3.28Å; E190-K194 PolarHBondContact O-N 3.09Å; V191-K194 PolarHBondContact O-N 3.31Å; I192-K194 PolarHBondContact O-N 2.99Å
195	L	90.9	Very high	89.3	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-78.8	-32.9	179.1	-72.2	175	0	0	0	112.9	A159 R167 A171 I174 V191 I192 E193 A197 D198 V203 V207	A159-L195 HydrophobicContact CB-CD1 4.09Å; A159-L195 HydrophobicContact CB-CD2 3.93Å; A159-L195 HydrophobicContact CB-CG 4.04Å; R167-L195 HydrophobicContact CB-CD2 4.15Å; A171-L195 HydrophobicContact CB-CD1 4.3Å; I174-L195 HydrophobicContact CD1-CD1 4.02Å; V191-L195 HydrophobicContact CG1-CD1 3.86Å; V191-L195 HydrophobicContact CG1-CG 4.31Å; V191-L195 WeakPolarHBondContact O-CB 3.48Å; V191-L195 VanDerWaalsContact O-CG 3.32Å; V191-L195 WeakPolarHBondContact O-CG 3.42Å; V191-L195 PolarHBondContact O-N 3.15Å; I192-L195 PolarHBondContact O-N 2.97Å; E193-L195 VanDerWaalsContact C-N 3.31Å; E193-L195 PolarHBondContact O-N 3.2Å; L195-A197 PolarHBondContact O-N 3.37Å; L195-D198 WeakPolarHBondContact O-CB 3.4Å; L195-D198 PolarHBondContact O-N 2.82Å; L195-D198 VanDerWaalsContact O-N 3.1Å; L195-V203 HydrophobicContact CD2-CG1 4.46Å; L195-V207 HydrophobicContact CB-CB 4.48Å; L195-V207 HydrophobicContact CB-CG1 3.92Å; L195-V207 HydrophobicContact CB-CG2 3.63Å; L195-V207 HydrophobicContact CD1-CG2 4.32Å; L195-V207 HydrophobicContact CG-CG2 4.5Å
196	L	89.7	Confident	89.4	Confident	9 Å²	9	46.1 Å²	46.1	5%	0.047	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-29.4	171.7	-78.2	173.3	0	0	0	111.3	I192 E193 D198 V207 V208 L221 I222 N225 K228	I192-L196 HydrophobicContact CG2-CD1 3.87Å; I192-L196 HydrophobicContact CG2-CG 4.15Å; I192-L196 WeakPolarHBondContact O-CB 3.46Å; I192-L196 WeakPolarHBondContact O-CG 3.36Å; I192-L196 PolarHBondContact O-N 3.08Å; E193-L196 PolarHBondContact O-N 3.43Å; L196-D198 VanDerWaalsContact C-N 3.31Å; L196-D198 PolarHBondContact O-N 3.29Å; L196-V207 HydrophobicContact CB-CG1 4.46Å; L196-V207 HydrophobicContact CD2-CB 4.46Å; L196-V207 HydrophobicContact CD2-CG1 3.65Å; L196-V207 HydrophobicContact CG-CG1 3.65Å; L196-V208 HydrophobicContact CD2-CG2 4.1Å; L196-L221 HydrophobicContact CD1-CB 3.86Å; L196-I222 HydrophobicContact CD1-CD1 4.35Å; L196-N225 PolarHBondContact O-OD1 3.27Å; L196-K228 PolarHBondContact O-NZ 3.23Å
197	A	88.5	Confident	89.5	Confident	61 Å²	61	40.5 Å²	40.5	50%	0.504	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-18.9	174.3	0	0	0	0	0	114.2	E193 L195 K228	E193-A197 PolarHBondContact O-N 3.5Å; E193-A197 VanDerWaalsContact O-N 3.14Å; L195-A197 PolarHBondContact O-N 3.37Å; A197-K228 PolarHBondContact O-NZ 3.47Å
198	D	87.4	Confident	89.6	Confident	28 Å²	28	36.9 Å²	36.9	15%	0.15	19%	0.192	C	C	.	.			trans	-58.2	134.6	-179.3	-169.6	-23	0	0	0	112.3	R167 L195 L196 T200 K228	R167-D198 IonicContact CZ-OD2 3.15Å; R167-D198 IonicContact NE-OD2 3.85Å; R167-D198 PolarHBondContact NE-OD2 2.85Å; R167-D198 IonicContact NH2-OD1 3.78Å; R167-D198 PolarHBondContact NH2-OD1 2.8Å; R167-D198 IonicContact NH2-OD2 3.33Å; R167-D198 PolarHBondContact NH2-OD2 2.73Å; L195-D198 WeakPolarHBondContact O-CB 3.4Å; L195-D198 PolarHBondContact O-N 2.82Å; L195-D198 VanDerWaalsContact O-N 3.1Å; L196-D198 VanDerWaalsContact C-N 3.31Å; L196-D198 PolarHBondContact O-N 3.29Å; D198-T200 VanDerWaalsContact C-N 3.32Å; D198-T200 WeakPolarHBondContact OD1-CB 3.3Å; D198-T200 PolarHBondContact OD1-N 2.65Å; D198-T200 PolarHBondContact OD1-OG1 3.27Å; D198-T200 PolarHBondContact OD2-OG1 3.3Å; D198-T200 VanDerWaalsContact OD2-OG1 3.14Å; D198-K228 WeakPolarHBondContact O-CE 3.46Å; D198-K228 PolarHBondContact O-NZ 3.18Å
199	K	82.7	Confident	89.6	Confident	170 Å²	170	39 Å²	39	74%	0.739	20%	0.203	S	C	*	.			trans	-80.6	-9	-179.4	-62.7	-176.7	-179.5	-179.2	0	113.5
200	T	88.2	Confident	89.6	Confident	45 Å²	45	38.2 Å²	38.2	28%	0.276	20%	0.199	S	C	.	.			trans	-88.1	126.2	-172.8	58.7	0	0	0	0	113.4	P164 R167 D198 L202 V203 A204	P164-T200 HydrophobicContact CG-CG2 4.17Å; R167-T200 PolarHBondContact NH2-OG1 3.4Å; D198-T200 VanDerWaalsContact C-N 3.32Å; D198-T200 WeakPolarHBondContact OD1-CB 3.3Å; D198-T200 PolarHBondContact OD1-N 2.65Å; D198-T200 PolarHBondContact OD1-OG1 3.27Å; D198-T200 PolarHBondContact OD2-OG1 3.3Å; D198-T200 VanDerWaalsContact OD2-OG1 3.14Å; T200-L202 VanDerWaalsContact C-N 3.33Å; T200-L202 PolarHBondContact O-N 3.25Å; T200-V203 PolarHBondContact O-N 2.81Å; T200-V203 WeakPolarHBondContact OG1-CG2 3.42Å; T200-A204 PolarHBondContact O-N 2.97Å
201	T	86.9	Confident	89.7	Confident	44 Å²	44	33.2 Å²	33.2	27%	0.27	18%	0.175	S	C	.	.	H	α-helix	trans	-63.9	-34.6	-175.3	55.1	0	0	0	0	113.4	V203 A204 L232 D235 V236	T201-V203 PolarHBondContact O-N 3.01Å; T201-A204 PolarHBondContact O-N 3.13Å; T201-L232 HydrophobicContact CG2-CB 4.41Å; T201-L232 HydrophobicContact CG2-CD2 3.97Å; T201-D235 VanDerWaalsContact CB-O 3.28Å; T201-D235 WeakPolarHBondContact CB-O 3.22Å; T201-D235 HydrophobicContact CG2-CB 3.76Å; T201-D235 PolarHBondContact OG1-O 2.74Å; T201-V236 HydrophobicContact CG2-CG2 4.32Å
202	L	87.6	Confident	89.5	Confident	71 Å²	71	35.3 Å²	35.3	37%	0.372	19%	0.185	S	C	.	.	H	α-helix	trans	-59.3	-26.2	178.3	-171.7	66.6	0	0	0	113.4	P164 K168 T200	P164-L202 HydrophobicContact CB-CD2 4.22Å; K168-L202 HydrophobicContact CD-CD1 4.39Å; K168-L202 HydrophobicContact CD-CG 4.24Å; K168-L202 VanDerWaalsContact CD-O 3.31Å; K168-L202 WeakPolarHBondContact CD-O 3.45Å; K168-L202 WeakPolarHBondContact CG-O 3.5Å; T200-L202 VanDerWaalsContact C-N 3.33Å; T200-L202 PolarHBondContact O-N 3.25Å
203	V	89.6	Confident	89.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-91.9	-36.6	-178.2	178.3	0	0	0	0	111.1	P164 R167 K168 L195 T200 T201 G205 S206 V207	P164-V203 HydrophobicContact CB-CG2 4.05Å; P164-V203 WeakPolarHBondContact O-CG2 3.3Å; R167-V203 HydrophobicContact CB-CG1 4.44Å; R167-V203 HydrophobicContact CB-CG2 4.07Å; K168-V203 HydrophobicContact CB-CG2 4.38Å; L195-V203 HydrophobicContact CD2-CG1 4.46Å; T200-V203 PolarHBondContact O-N 2.81Å; T200-V203 WeakPolarHBondContact OG1-CG2 3.42Å; T201-V203 PolarHBondContact O-N 3.01Å; V203-G205 PolarHBondContact O-N 3.45Å; V203-S206 PolarHBondContact O-N 3.39Å; V203-V207 HydrophobicContact CG1-CG2 3.56Å; V203-V207 WeakPolarHBondContact O-CG2 3.27Å; V203-V207 PolarHBondContact O-N 2.84Å; V203-V207 VanDerWaalsContact O-N 3.16Å
204	A	88.8	Confident	89	Confident	13 Å²	13	37 Å²	37	11%	0.107	19%	0.193	C	C	.	.	H	α-helix	trans	-52.6	-47.7	-170.1	0	0	0	0	0	114.5	T200 T201 S206 V207 V208 V236	T200-A204 PolarHBondContact O-N 2.97Å; T201-A204 PolarHBondContact O-N 3.13Å; A204-S206 PolarHBondContact O-N 3.2Å; A204-V207 PolarHBondContact O-N 2.64Å; A204-V208 WeakPolarHBondContact O-CG2 3.39Å; A204-V208 PolarHBondContact O-N 3.39Å; A204-V236 HydrophobicContact CB-CG2 4.25Å
205	G	89.3	Confident	88.7	Confident	5 Å²	5	31.6 Å²	31.6	5%	0.052	17%	0.169	C	C	.	.	H	α-helix	trans	-61	-44.2	-179.4	0	0	0	0	0	113.5	V203 V207 V208 M209	V203-G205 PolarHBondContact O-N 3.45Å; G205-V207 VanDerWaalsContact C-N 3.32Å; G205-V207 PolarHBondContact O-N 2.99Å; G205-V208 PolarHBondContact O-N 3.44Å; G205-M209 PolarHBondContact O-N 3.32Å; G205-M209 VanDerWaalsContact O-N 3.11Å
206	S	90.6	Very high	88.2	Confident	3 Å²	3	34 Å²	34	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-68.9	-29.6	178.7	-59.6	0	0	0	0	113.1	K168 H172 V203 A204 A210	K168-S206 WeakPolarHBondContact CE-OG 3.29Å; K168-S206 WeakPolarHBondContact CG-OG 3.32Å; H172-S206 PolarHBondContact CD2-OG 2.86Å; H172-S206 PolarHBondContact CE1-OG 3.49Å; H172-S206 PolarHBondContact NE2-OG 2.91Å; V203-S206 PolarHBondContact O-N 3.39Å; A204-S206 PolarHBondContact O-N 3.2Å; S206-A210 PolarHBondContact O-N 2.81Å; S206-A210 VanDerWaalsContact O-N 3.11Å
207	V	92.6	Very high	87.8	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-75.5	-39.2	176.8	-179.4	0	0	0	0	111.3	A171 I192 L195 L196 V203 A204 G205 M209 A210 F211	A171-V207 HydrophobicContact CB-CG2 3.71Å; I192-V207 HydrophobicContact CG2-CG1 4.35Å; L195-V207 HydrophobicContact CB-CB 4.48Å; L195-V207 HydrophobicContact CB-CG1 3.92Å; L195-V207 HydrophobicContact CB-CG2 3.63Å; L195-V207 HydrophobicContact CD1-CG2 4.32Å; L195-V207 HydrophobicContact CG-CG2 4.5Å; L196-V207 HydrophobicContact CB-CG1 4.46Å; L196-V207 HydrophobicContact CD2-CB 4.46Å; L196-V207 HydrophobicContact CD2-CG1 3.65Å; L196-V207 HydrophobicContact CG-CG1 3.65Å; V203-V207 HydrophobicContact CG1-CG2 3.56Å; V203-V207 WeakPolarHBondContact O-CG2 3.27Å; V203-V207 PolarHBondContact O-N 2.84Å; V203-V207 VanDerWaalsContact O-N 3.16Å; A204-V207 PolarHBondContact O-N 2.64Å; G205-V207 VanDerWaalsContact C-N 3.32Å; G205-V207 PolarHBondContact O-N 2.99Å; V207-M209 VanDerWaalsContact C-N 3.31Å; V207-M209 PolarHBondContact O-N 3.37Å; V207-A210 PolarHBondContact O-N 3.26Å; V207-F211 WeakPolarHBondContact O-CB 3.44Å; V207-F211 PolarHBondContact O-N 2.89Å
208	V	90.9	Very high	87.5	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67.7	-34.2	175.8	177.5	0	0	0	0	111.2	L196 A204 G205 F211 E212 L229 V243 I244 M247	L196-V208 HydrophobicContact CD2-CG2 4.1Å; A204-V208 WeakPolarHBondContact O-CG2 3.39Å; A204-V208 PolarHBondContact O-N 3.39Å; G205-V208 PolarHBondContact O-N 3.44Å; V208-F211 PolarHBondContact O-N 3.03Å; V208-E212 PolarHBondContact O-N 2.89Å; V208-L229 HydrophobicContact CG2-CD1 4.18Å; V208-L229 HydrophobicContact CG2-CD2 4.11Å; V208-V243 HydrophobicContact CB-CG1 4.47Å; V208-V243 HydrophobicContact CG1-CG1 4.14Å; V208-I244 HydrophobicContact CB-CG1 4.02Å; V208-I244 HydrophobicContact CG1-CG1 4.19Å; V208-I244 HydrophobicContact CG2-CG1 4.02Å; V208-M247 HydrophobicContact CG1-CB 3.73Å; V208-M247 HydrophobicContact CG1-CE 3.59Å; V208-M247 HydrophobicContact CG1-CG 3.78Å; V208-M247 HydrophobicContact CG2-CE 4.3Å
209	M	90.6	Very high	87.2	Confident	45 Å²	45	42.4 Å²	42.4	22%	0.222	21%	0.21	C	C	.	.	H	α-helix	trans	-60.3	-46.3	168.2	-177.1	-80.8	-56.8	0	0	111.8	H172 P175 G205 V207 F211 E212 E213 V243	H172-M209 WeakPolarHBondContact ND1-CE 3.44Å; P175-M209 HydrophobicContact CG-CE 4.11Å; P175-M209 HydrophobicContact CG-SD 3.94Å; G205-M209 PolarHBondContact O-N 3.32Å; G205-M209 VanDerWaalsContact O-N 3.11Å; V207-M209 VanDerWaalsContact C-N 3.31Å; V207-M209 PolarHBondContact O-N 3.37Å; M209-F211 VanDerWaalsContact C-N 3.3Å; M209-F211 PolarHBondContact O-N 2.81Å; M209-E212 PolarHBondContact O-N 3Å; M209-E213 PolarHBondContact O-N 2.91Å; M209-V243 HydrophobicContact CB-CG1 4.02Å
210	A	90.8	Very high	87.1	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.6	-32.6	177.3	0	0	0	0	0	113.3	I174 P175 S206 V207 V214	I174-A210 HydrophobicContact CB-CB 4.24Å; I174-A210 HydrophobicContact CG2-CB 4.17Å; P175-A210 HydrophobicContact CG-CB 4.1Å; S206-A210 PolarHBondContact O-N 2.81Å; S206-A210 VanDerWaalsContact O-N 3.11Å; V207-A210 PolarHBondContact O-N 3.26Å; A210-V214 WeakPolarHBondContact O-CB 3.44Å; A210-V214 WeakPolarHBondContact O-CG2 3.24Å; A210-V214 PolarHBondContact O-N 2.87Å
211	F	91.6	Very high	86.9	Confident	8 Å²	8	35.8 Å²	35.8	4%	0.035	18%	0.181	C	C	.	.	H	α-helix	trans	-67.8	-45.3	173.3	170.5	-90.9	0	0	0	112.3	I192 V207 V208 M209 E213 V214 C215 R218 L221 I222 M247	I192-F211 HydrophobicContact CG2-CB 4.13Å; I192-F211 HydrophobicContact CG2-CD2 4.27Å; V207-F211 WeakPolarHBondContact O-CB 3.44Å; V207-F211 PolarHBondContact O-N 2.89Å; V208-F211 PolarHBondContact O-N 3.03Å; M209-F211 VanDerWaalsContact C-N 3.3Å; M209-F211 PolarHBondContact O-N 2.81Å; F211-E213 VanDerWaalsContact C-N 3.32Å; F211-E213 PolarHBondContact O-N 3.35Å; F211-V214 PolarHBondContact O-N 2.72Å; F211-C215 WeakPolarHBondContact CD2-SG 3.48Å; F211-C215 WeakPolarHBondContact CE2-O 3.27Å; F211-C215 WeakPolarHBondContact CZ-O 3.44Å; F211-C215 CarbonylContact O-C 3.53Å; F211-C215 PolarHBondContact O-N 2.74Å; F211-R218 HydrophobicContact CE2-CB 4.48Å; F211-R218 WeakPolarHBondContact CE2-O 3.38Å; F211-L221 HydrophobicContact CD2-CD1 4.34Å; F211-L221 HydrophobicContact CE2-CB 4.22Å; F211-L221 HydrophobicContact CE2-CD1 4.22Å; F211-I222 HydrophobicContact CD1-CD1 3.94Å; F211-I222 HydrophobicContact CD1-CG1 4.27Å; F211-I222 HydrophobicContact CD2-CD1 4.32Å; F211-I222 HydrophobicContact CE1-CD1 3.83Å; F211-I222 HydrophobicContact CE1-CG1 3.64Å; F211-I222 HydrophobicContact CE2-CD1 4.23Å; F211-I222 HydrophobicContact CE2-CG1 4.09Å; F211-I222 HydrophobicContact CG-CD1 4.2Å; F211-I222 HydrophobicContact CZ-CD1 3.99Å; F211-I222 HydrophobicContact CZ-CG1 3.54Å; F211-M247 HydrophobicContact CD1-CG 4.33Å; F211-M247 HydrophobicContact CE1-CG 4.34Å
212	E	88.3	Confident	86.9	Confident	50 Å²	50	33.8 Å²	33.8	23%	0.234	17%	0.168	C	C	.	.	H	α-helix	trans	-63.9	-35	-178.3	-170.9	167.1	-155.5	0	0	112.3	V208 M209 P216 R250	V208-E212 PolarHBondContact O-N 2.89Å; M209-E212 PolarHBondContact O-N 3Å; E212-P216 WeakPolarHBondContact O-CD 3.4Å; E212-R250 IonicContact OE1-NE 2.74Å
213	E	86.6	Confident	86.7	Confident	106 Å²	106	31.3 Å²	31.3	50%	0.495	16%	0.155	S	C	.	.	H	α-helix	trans	-79.2	-41.2	177.5	-168.1	76.8	177	0	0	113.4	P175 M209 F211	P175-E213 HydrophobicContact CB-CG 4.2Å; P175-E213 HydrophobicContact CG-CB 4.45Å; M209-E213 PolarHBondContact O-N 2.91Å; F211-E213 VanDerWaalsContact C-N 3.32Å; F211-E213 PolarHBondContact O-N 3.35Å
214	V	86.7	Confident	86.4	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-94.2	-36.5	-169.5	179.6	0	0	0	0	113.6	I174 Y178 K185 L188 I192 A210 F211	I174-V214 HydrophobicContact CG2-CG2 3.93Å; Y178-V214 HydrophobicContact CD1-CB 4.23Å; Y178-V214 HydrophobicContact CD1-CG1 4.29Å; Y178-V214 HydrophobicContact CD1-CG2 3.79Å; Y178-V214 HydrophobicContact CD2-CG1 4.02Å; Y178-V214 HydrophobicContact CE2-CG1 4.34Å; Y178-V214 HydrophobicContact CG-CB 4.36Å; Y178-V214 HydrophobicContact CG-CG1 4Å; Y178-V214 HydrophobicContact CG-CG2 3.86Å; K185-V214 WeakPolarHBondContact CE-O 3.32Å; K185-V214 HydrophobicContact CG-CG1 4.37Å; L188-V214 HydrophobicContact CB-CG1 4.44Å; L188-V214 HydrophobicContact CD1-CG1 4.48Å; I192-V214 HydrophobicContact CD1-CB 4.17Å; I192-V214 HydrophobicContact CD1-CG1 4.33Å; A210-V214 WeakPolarHBondContact O-CB 3.44Å; A210-V214 WeakPolarHBondContact O-CG2 3.24Å; A210-V214 PolarHBondContact O-N 2.87Å; F211-V214 PolarHBondContact O-N 2.72Å
215	C	84.6	Confident	86.3	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.176	C	C	.	.			trans	-150.1	51.9	-170.3	60.5	0	0	0	0	114.7	I189 F211 E217 R218	I189-C215 HydrophobicContact CD1-CB 4.05Å; I189-C215 HydrophobicContact CG1-CB 3.99Å; F211-C215 WeakPolarHBondContact CD2-SG 3.48Å; F211-C215 WeakPolarHBondContact CE2-O 3.27Å; F211-C215 WeakPolarHBondContact CZ-O 3.44Å; F211-C215 CarbonylContact O-C 3.53Å; F211-C215 PolarHBondContact O-N 2.74Å; C215-E217 PolarHBondContact O-N 3.28Å; C215-R218 HydrophobicContact CB-CB 4.39Å; C215-R218 HydrophobicContact CB-CG 4.36Å; C215-R218 PolarHBondContact O-N 3.38Å
216	P	81.3	Confident	86.2	Confident	55 Å²	55	36.4 Å²	36.4	36%	0.357	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.9	178.3	26.6	-35.3	0	0	0	113.3	E212 R218	E212-P216 WeakPolarHBondContact O-CD 3.4Å; P216-R218 VanDerWaalsContact C-N 3.35Å
217	E	79.9	Confident	86.1	Confident	139 Å²	139	40.2 Å²	40.2	65%	0.65	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-27.6	175.8	-57.1	159.6	134	0	0	113.4	K185 C215 I219	K185-E217 IonicContact NZ-OE2 2.7Å; K185-E217 PolarHBondContact NZ-OE2 3.25Å; C215-E217 PolarHBondContact O-N 3.28Å; E217-I219 VanDerWaalsContact C-N 3.33Å; E217-I219 PolarHBondContact O-N 3.16Å; E217-I219 VanDerWaalsContact O-N 3.08Å
218	R	82.3	Confident	85.8	Confident	93 Å²	93	42.7 Å²	42.7	35%	0.351	20%	0.199	S	C	.	.			trans	-91.4	61.5	-169.8	-68.8	-59.1	-53.3	-75.9	-0.4	112.8	I189 F211 C215 P216 D220 L221	I189-R218 HydrophobicContact CD1-CG 4.42Å; F211-R218 HydrophobicContact CE2-CB 4.48Å; F211-R218 WeakPolarHBondContact CE2-O 3.38Å; C215-R218 HydrophobicContact CB-CB 4.39Å; C215-R218 HydrophobicContact CB-CG 4.36Å; C215-R218 PolarHBondContact O-N 3.38Å; P216-R218 VanDerWaalsContact C-N 3.35Å; R218-D220 IonicContact CZ-OD2 2.95Å; R218-D220 IonicContact NE-OD2 2.66Å; R218-D220 PolarHBondContact NE-OD2 3.03Å; R218-D220 IonicContact NH2-OD2 3.3Å; R218-D220 PolarHBondContact NH2-OD2 2.71Å; R218-D220 PolarHBondContact O-N 3.21Å; R218-D220 VanDerWaalsContact O-N 3.07Å; R218-L221 HydrophobicContact CB-CD1 4.22Å; R218-L221 HydrophobicContact CB-CG 4.39Å; R218-L221 PolarHBondContact O-N 3.47Å; R218-L221 VanDerWaalsContact O-N 3.15Å
219	I	80.7	Confident	85.7	Confident	42 Å²	42	43 Å²	43	22%	0.215	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-29	-178.7	-54.7	-177.8	0	0	0	112.3	E217 L221 I222 H223 Y251 Q255	E217-I219 VanDerWaalsContact C-N 3.33Å; E217-I219 PolarHBondContact O-N 3.16Å; E217-I219 VanDerWaalsContact O-N 3.08Å; I219-L221 PolarHBondContact O-N 2.82Å; I219-I222 WeakPolarHBondContact O-CA 3.37Å; I219-I222 WeakPolarHBondContact O-CB 3.43Å; I219-I222 PolarHBondContact O-N 2.98Å; I219-H223 PolarHBondContact O-N 2.92Å; I219-Y251 HydrophobicContact CG2-CD2 3.7Å; I219-Y251 HydrophobicContact CG2-CE2 3.68Å; I219-Q255 HydrophobicContact CG2-CG 4.24Å
220	D	81.8	Confident	85.6	Confident	74 Å²	74	40.8 Å²	40.8	40%	0.396	19%	0.189	S	C	.	.	H	α-helix	trans	-43.2	-41.2	173.2	-36.6	-40.4	0	0	0	114.3	R218 I222 H223	R218-D220 IonicContact CZ-OD2 2.95Å; R218-D220 IonicContact NE-OD2 2.66Å; R218-D220 PolarHBondContact NE-OD2 3.03Å; R218-D220 IonicContact NH2-OD2 3.3Å; R218-D220 PolarHBondContact NH2-OD2 2.71Å; R218-D220 PolarHBondContact O-N 3.21Å; R218-D220 VanDerWaalsContact O-N 3.07Å; D220-I222 VanDerWaalsContact C-N 3.3Å; D220-I222 PolarHBondContact O-N 3.06Å; D220-H223 PolarHBondContact O-N 3.41Å
221	L	83.6	Confident	85.4	Confident	2 Å²	2	45 Å²	45	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-71.7	-29.8	-175.8	-57	-179.6	0	0	0	111.8	I189 E193 L196 F211 R218 I219 N225	I189-L221 HydrophobicContact CG2-CD1 4.15Å; E193-L221 HydrophobicContact CB-CD2 4Å; E193-L221 HydrophobicContact CG-CD2 4.05Å; L196-L221 HydrophobicContact CD1-CB 3.86Å; F211-L221 HydrophobicContact CD2-CD1 4.34Å; F211-L221 HydrophobicContact CE2-CB 4.22Å; F211-L221 HydrophobicContact CE2-CD1 4.22Å; R218-L221 HydrophobicContact CB-CD1 4.22Å; R218-L221 HydrophobicContact CB-CG 4.39Å; R218-L221 PolarHBondContact O-N 3.47Å; R218-L221 VanDerWaalsContact O-N 3.15Å; I219-L221 PolarHBondContact O-N 2.82Å; L221-N225 PolarHBondContact O-ND2 3.32Å
222	I	86.3	Confident	85.2	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-80.3	-37.4	175.9	-54.5	-56.4	0	0	0	110.4	L196 F211 I219 D220 K224 N225 Y226 L229 M247 Y251	L196-I222 HydrophobicContact CD1-CD1 4.35Å; F211-I222 HydrophobicContact CD1-CD1 3.94Å; F211-I222 HydrophobicContact CD1-CG1 4.27Å; F211-I222 HydrophobicContact CD2-CD1 4.32Å; F211-I222 HydrophobicContact CE1-CD1 3.83Å; F211-I222 HydrophobicContact CE1-CG1 3.64Å; F211-I222 HydrophobicContact CE2-CD1 4.23Å; F211-I222 HydrophobicContact CE2-CG1 4.09Å; F211-I222 HydrophobicContact CG-CD1 4.2Å; F211-I222 HydrophobicContact CZ-CD1 3.99Å; F211-I222 HydrophobicContact CZ-CG1 3.54Å; I219-I222 WeakPolarHBondContact O-CA 3.37Å; I219-I222 WeakPolarHBondContact O-CB 3.43Å; I219-I222 PolarHBondContact O-N 2.98Å; D220-I222 VanDerWaalsContact C-N 3.3Å; D220-I222 PolarHBondContact O-N 3.06Å; I222-K224 VanDerWaalsContact C-N 3.32Å; I222-K224 PolarHBondContact O-N 3.39Å; I222-N225 CarbonylContact O-C 3.58Å; I222-N225 PolarHBondContact O-N 3.09Å; I222-Y226 WeakPolarHBondContact O-CA 3.44Å; I222-Y226 WeakPolarHBondContact O-CB 3.46Å; I222-Y226 PolarHBondContact O-N 2.92Å; I222-L229 HydrophobicContact CD1-CD1 4.48Å; I222-M247 HydrophobicContact CD1-CE 4.04Å; I222-M247 HydrophobicContact CD1-SD 4.06Å; I222-M247 HydrophobicContact CG1-SD 4.03Å; I222-M247 HydrophobicContact CG2-CE 4.18Å; I222-M247 HydrophobicContact CG2-SD 3.92Å; I222-Y251 HydrophobicContact CB-CD2 3.98Å; I222-Y251 HydrophobicContact CB-CE2 4Å; I222-Y251 HydrophobicContact CG2-CD2 3.51Å; I222-Y251 HydrophobicContact CG2-CE2 3.64Å; I222-Y251 HydrophobicContact CG2-CG 4.27Å
223	H	84.9	Confident	85.2	Confident	19 Å²	19	44.1 Å²	44.1	9%	0.088	21%	0.209	C	C	.	.	H	α-helix	trans	-51.2	-48.8	176.6	-68.3	-37.3	0	0	0	112.8	I219 D220 N225 Y251 Q255 V652	I219-H223 PolarHBondContact O-N 2.92Å; D220-H223 PolarHBondContact O-N 3.41Å; H223-N225 PolarHBondContact O-N 2.97Å; H223-Y251 AromaticContact CE1-CE2 3.8Å; H223-Y251 AromaticContact ND1-CE2 3.42Å; H223-Y251 WeakPolarHBondContact ND1-CE2 3.39Å; H223-Y251 AromaticContact ND1-CZ 3.53Å; H223-Y251 PolarHBondContact ND1-OH 3.26Å; H223-Q255 PolarHBondContact CE1-OE1 3.17Å; H223-Q255 VanDerWaalsContact CE1-OE1 3.26Å; H223-V652 HydrophobicContact CB-CG1 3.98Å; H223-V652 VanDerWaalsContact CD2-CG1 3.45Å; H223-V652 WeakPolarHBondContact CD2-CG1 3.19Å
224	K	83.5	Confident	85.1	Confident	107 Å²	107	42.5 Å²	42.5	47%	0.465	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-27.7	178.2	-56.6	-179.7	-171.3	179.2	0	113.4	E193 I222 V655	E193-K224 IonicContact OE1-NZ 3.86Å; E193-K224 PolarHBondContact OE1-NZ 3.07Å; I222-K224 VanDerWaalsContact C-N 3.32Å; I222-K224 PolarHBondContact O-N 3.39Å; K224-V655 HydrophobicContact CG-CG2 4.28Å
225	N	86	Confident	85.2	Confident	18 Å²	18	47.8 Å²	47.8	10%	0.096	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114	-3.3	-170	-70	-74	0	0	0	114	L196 L221 I222 H223 R227 K228 L229	L196-N225 PolarHBondContact O-OD1 3.27Å; L221-N225 PolarHBondContact O-ND2 3.32Å; I222-N225 CarbonylContact O-C 3.58Å; I222-N225 PolarHBondContact O-N 3.09Å; H223-N225 PolarHBondContact O-N 2.97Å; N225-R227 PolarHBondContact O-N 2.66Å; N225-K228 WeakPolarHBondContact O-CB 3.44Å; N225-K228 PolarHBondContact O-N 2.96Å; N225-K228 VanDerWaalsContact O-N 3.13Å; N225-L229 HydrophobicContact CB-CD1 4.43Å; N225-L229 HydrophobicContact CB-CG 4.48Å; N225-L229 PolarHBondContact O-N 3.44Å
226	Y	87.5	Confident	85.3	Confident	1 Å²	1	48 Å²	48	0%	0.004	23%	0.233	C	C	.	.	H	α-helix	trans	-54.4	-57.2	-168.6	177.4	-93.9	0	0	0	112.7	I222 K228 L229 C230 L248 Y251 F256 D300 L304	I222-Y226 WeakPolarHBondContact O-CA 3.44Å; I222-Y226 WeakPolarHBondContact O-CB 3.46Å; I222-Y226 PolarHBondContact O-N 2.92Å; Y226-K228 VanDerWaalsContact C-N 3.26Å; Y226-K228 PolarHBondContact O-N 3.18Å; Y226-L229 PolarHBondContact O-N 3.22Å; Y226-L229 VanDerWaalsContact O-N 3.14Å; Y226-C230 PolarHBondContact O-N 3.36Å; Y226-C230 PolarHBondContact O-SG 3.44Å; Y226-C230 VanDerWaalsContact O-SG 3.33Å; Y226-L248 HydrophobicContact CD2-CD2 3.68Å; Y226-L248 HydrophobicContact CE2-CD2 3.67Å; Y226-Y251 AromaticContact CD2-CD1 3.7Å; Y226-Y251 HydrophobicContact CD2-CD1 3.7Å; Y226-Y251 AromaticContact CD2-CE1 3.24Å; Y226-Y251 HydrophobicContact CD2-CE1 3.24Å; Y226-Y251 HydrophobicContact CD2-CE2 4.34Å; Y226-Y251 HydrophobicContact CD2-CG 4.43Å; Y226-Y251 AromaticContact CD2-CZ 3.6Å; Y226-Y251 AromaticContact CE2-CD1 3.47Å; Y226-Y251 HydrophobicContact CE2-CD1 3.47Å; Y226-Y251 VanDerWaalsContact CE2-CD1 3.47Å; Y226-Y251 AromaticContact CE2-CE1 3.25Å; Y226-Y251 HydrophobicContact CE2-CE1 3.25Å; Y226-Y251 HydrophobicContact CE2-CG 4.48Å; Y226-Y251 HydrophobicContact CG-CE1 4.11Å; Y226-F256 HydrophobicContact CE1-CZ 4.33Å; Y226-F256 HydrophobicContact CE2-CZ 4.45Å; Y226-F256 AromaticContact CZ-CZ 3.84Å; Y226-F256 WeakPolarHBondContact OH-CE2 3.43Å; Y226-F256 WeakPolarHBondContact OH-CZ 3.49Å; Y226-D300 HydrophobicContact CD1-CB 4.33Å; Y226-D300 HydrophobicContact CE1-CB 3.76Å; Y226-D300 WeakPolarHBondContact CE1-O 3.42Å; Y226-D300 PolarHBondContact OH-O 2.88Å; Y226-L304 WeakPolarHBondContact OH-CB 3.46Å
227	R	87.3	Confident	85.6	Confident	82 Å²	82	48.6 Å²	48.6	31%	0.309	23%	0.231	S	C	.	.	H	α-helix	trans	-62.1	-34.3	-179.4	-61.3	-178.8	-175.7	137.3	5.6	112.7	N225 N231 D300 L303 R653 N654	N225-R227 PolarHBondContact O-N 2.66Å; R227-N231 WeakPolarHBondContact O-CB 3.49Å; R227-N231 PolarHBondContact O-N 2.92Å; R227-N231 PolarHBondContact O-ND2 3.41Å; R227-D300 WeakPolarHBondContact CG-OD1 3.37Å; R227-D300 IonicContact CZ-OD1 3.28Å; R227-D300 IonicContact CZ-OD2 3.9Å; R227-D300 IonicContact NE-OD1 3.5Å; R227-D300 PolarHBondContact NE-OD1 3.38Å; R227-D300 IonicContact NE-OD2 3.41Å; R227-D300 PolarHBondContact NE-OD2 2.71Å; R227-D300 IonicContact NH2-OD1 2.68Å; R227-D300 PolarHBondContact NH2-OD1 3.09Å; R227-D300 IonicContact NH2-OD2 2.66Å; R227-D300 PolarHBondContact NH2-OD2 3.04Å; R227-L303 HydrophobicContact CB-CD2 4.1Å; R227-L303 HydrophobicContact CG-CD2 3.96Å; R227-R653 PolarHBondContact NH1-O 2.68Å; R227-R653 VanDerWaalsContact NH1-O 3.16Å; R227-N654 VanDerWaalsContact CZ-OD1 3.23Å; R227-N654 PolarHBondContact NH1-OD1 2.9Å; R227-N654 PolarHBondContact NH2-OD1 3.49Å
228	K	87.4	Confident	85.9	Confident	53 Å²	53	45.7 Å²	45.7	23%	0.23	22%	0.217	C	C	.	.	H	α-helix	trans	-65.8	-47.2	175.4	169.5	-169.7	168	-166.3	0	110.6	L196 A197 D198 N225 Y226 N231 L232	L196-K228 PolarHBondContact O-NZ 3.23Å; A197-K228 PolarHBondContact O-NZ 3.47Å; D198-K228 WeakPolarHBondContact O-CE 3.46Å; D198-K228 PolarHBondContact O-NZ 3.18Å; N225-K228 WeakPolarHBondContact O-CB 3.44Å; N225-K228 PolarHBondContact O-N 2.96Å; N225-K228 VanDerWaalsContact O-N 3.13Å; Y226-K228 VanDerWaalsContact C-N 3.26Å; Y226-K228 PolarHBondContact O-N 3.18Å; K228-N231 PolarHBondContact O-N 3.44Å; K228-L232 HydrophobicContact CG-CD1 3.8Å; K228-L232 HydrophobicContact CG-CG 4.42Å; K228-L232 WeakPolarHBondContact O-CB 3.46Å; K228-L232 VanDerWaalsContact O-CG 3.3Å; K228-L232 WeakPolarHBondContact O-CG 3.39Å; K228-L232 PolarHBondContact O-N 3.18Å
229	L	88.1	Confident	86.1	Confident	6 Å²	6	48.5 Å²	48.5	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-62.2	-44.4	175.2	-68.8	173.5	0	0	0	111.4	V208 I222 N225 Y226 N231 L233 I244 M247	V208-L229 HydrophobicContact CG2-CD1 4.18Å; V208-L229 HydrophobicContact CG2-CD2 4.11Å; I222-L229 HydrophobicContact CD1-CD1 4.48Å; N225-L229 HydrophobicContact CB-CD1 4.43Å; N225-L229 HydrophobicContact CB-CG 4.48Å; N225-L229 PolarHBondContact O-N 3.44Å; Y226-L229 PolarHBondContact O-N 3.22Å; Y226-L229 VanDerWaalsContact O-N 3.14Å; L229-N231 VanDerWaalsContact C-N 3.33Å; L229-N231 PolarHBondContact O-N 3.22Å; L229-L233 WeakPolarHBondContact O-CB 3.38Å; L229-L233 PolarHBondContact O-N 2.98Å; L229-L233 VanDerWaalsContact O-N 3.13Å; L229-I244 HydrophobicContact CB-CG2 4.44Å; L229-M247 HydrophobicContact CD1-CE 3.87Å
230	C	88.1	Confident	86.5	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-38.5	175.6	-66.1	0	0	0	0	113	Y226 L303 N307	Y226-C230 PolarHBondContact O-N 3.36Å; Y226-C230 PolarHBondContact O-SG 3.44Å; Y226-C230 VanDerWaalsContact O-SG 3.33Å; C230-L303 HydrophobicContact CB-CD2 4.25Å; C230-L303 HydrophobicContact CB-CG 4.25Å; C230-N307 VanDerWaalsContact C-ND2 3.3Å; C230-N307 VanDerWaalsContact O-CB 3.29Å; C230-N307 WeakPolarHBondContact O-CB 3.44Å; C230-N307 PolarHBondContact O-ND2 3.04Å
231	N	87.9	Confident	86.9	Confident	89 Å²	89	43.5 Å²	43.5	48%	0.476	20%	0.201	S	C	.	.	H	α-helix	trans	-77.1	-42	-180	-72.6	-15.7	0	0	0	112.7	R227 K228 L229 L233 N307	R227-N231 WeakPolarHBondContact O-CB 3.49Å; R227-N231 PolarHBondContact O-N 2.92Å; R227-N231 PolarHBondContact O-ND2 3.41Å; K228-N231 PolarHBondContact O-N 3.44Å; L229-N231 VanDerWaalsContact C-N 3.33Å; L229-N231 PolarHBondContact O-N 3.22Å; N231-L233 PolarHBondContact O-N 2.94Å; N231-N307 PolarHBondContact OD1-ND2 2.67Å
232	L	87	Confident	87.2	Confident	37 Å²	37	44 Å²	44	19%	0.194	21%	0.205	C	C	.	.	H	α-helix	trans	-71.8	-13.9	178.8	-67.7	176.3	0	0	0	113.4	T201 K228 I234 D235 V236	T201-L232 HydrophobicContact CG2-CB 4.41Å; T201-L232 HydrophobicContact CG2-CD2 3.97Å; K228-L232 HydrophobicContact CG-CD1 3.8Å; K228-L232 HydrophobicContact CG-CG 4.42Å; K228-L232 WeakPolarHBondContact O-CB 3.46Å; K228-L232 VanDerWaalsContact O-CG 3.3Å; K228-L232 WeakPolarHBondContact O-CG 3.39Å; K228-L232 PolarHBondContact O-N 3.18Å; L232-I234 PolarHBondContact O-N 2.82Å; L232-D235 PolarHBondContact O-N 3.2Å; L232-V236 HydrophobicContact CB-CG2 4.44Å; L232-V236 WeakPolarHBondContact O-CG2 3.32Å; L232-V236 PolarHBondContact O-N 3.41Å
233	L	86.8	Confident	87.4	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-30.9	-171.1	-171	63.7	0	0	0	114.3	L229 N231 D235 Q241 I244 I245 T308 L311	L229-L233 WeakPolarHBondContact O-CB 3.38Å; L229-L233 PolarHBondContact O-N 2.98Å; L229-L233 VanDerWaalsContact O-N 3.13Å; N231-L233 PolarHBondContact O-N 2.94Å; L233-D235 VanDerWaalsContact C-N 3.33Å; L233-Q241 HydrophobicContact CD1-CB 4.29Å; L233-Q241 HydrophobicContact CD1-CG 4.44Å; L233-Q241 WeakPolarHBondContact O-CG 3.41Å; L233-Q241 PolarHBondContact O-NE2 2.89Å; L233-I244 HydrophobicContact CD1-CB 3.85Å; L233-I244 HydrophobicContact CD1-CD1 4.38Å; L233-I244 HydrophobicContact CD1-CG2 3.7Å; L233-I245 HydrophobicContact CD1-CG1 4.3Å; L233-I245 HydrophobicContact CD2-CD1 4.34Å; L233-I245 HydrophobicContact CD2-CG1 3.93Å; L233-T308 HydrophobicContact CD2-CG2 3.54Å; L233-L311 HydrophobicContact CD2-CD1 3.79Å; L233-L311 HydrophobicContact CG-CD1 3.87Å
234	I	85.9	Confident	87.7	Confident	72 Å²	72	44.6 Å²	44.6	37%	0.369	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-31.7	178.8	-59	176.2	0	0	0	111.4	L232 P310 L311	L232-I234 PolarHBondContact O-N 2.82Å; I234-P310 HydrophobicContact CD1-CG 4.22Å; I234-L311 HydrophobicContact CG1-CD2 4.49Å
235	D	87.6	Confident	88.1	Confident	112 Å²	112	39.5 Å²	39.5	60%	0.599	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	1.2	-173.7	-54.3	-42.1	0	0	0	113.5	T201 L232 L233	T201-D235 VanDerWaalsContact CB-O 3.28Å; T201-D235 WeakPolarHBondContact CB-O 3.22Å; T201-D235 HydrophobicContact CG2-CB 3.76Å; T201-D235 PolarHBondContact OG1-O 2.74Å; L232-D235 PolarHBondContact O-N 3.2Å; L233-D235 VanDerWaalsContact C-N 3.33Å
236	V	87.5	Confident	88.3	Confident	6 Å²	6	40.6 Å²	40.6	4%	0.036	19%	0.193	C	C	.	.	S	Bend	trans	-87.4	149.2	175.8	171.3	0	0	0	0	110.4	T201 A204 L232 Q241 I244	T201-V236 HydrophobicContact CG2-CG2 4.32Å; A204-V236 HydrophobicContact CB-CG2 4.25Å; L232-V236 HydrophobicContact CB-CG2 4.44Å; L232-V236 WeakPolarHBondContact O-CG2 3.32Å; L232-V236 PolarHBondContact O-N 3.41Å; V236-Q241 HydrophobicContact CB-CG 4.39Å; V236-Q241 WeakPolarHBondContact O-CG 3.32Å; V236-Q241 PolarHBondContact O-NE2 3.49Å; V236-I244 HydrophobicContact CG1-CD1 3.98Å; V236-I244 HydrophobicContact CG2-CD1 4.31Å
237	E	87.1	Confident	88.4	Confident	67 Å²	67	41 Å²	41	31%	0.313	20%	0.196	S	C	.	.			trans	-60.5	149.8	176.5	66.8	-179.7	-142.4	0	0	113.3	K168 W239 G240 Q241	K168-E237 IonicContact NZ-OE1 2.62Å; K168-E237 PolarHBondContact NZ-OE1 2.92Å; K168-E237 IonicContact NZ-OE2 2.97Å; K168-E237 PolarHBondContact NZ-OE2 2.92Å; E237-W239 VanDerWaalsContact C-N 3.34Å; E237-W239 PolarHBondContact O-N 2.85Å; E237-W239 VanDerWaalsContact O-N 3.16Å; E237-G240 CarbonylContact O-C 3.54Å; E237-G240 VanDerWaalsContact O-CA 3.3Å; E237-G240 WeakPolarHBondContact O-CA 3.31Å; E237-G240 PolarHBondContact O-N 3.22Å; E237-Q241 PolarHBondContact O-N 3.31Å
238	E	85.9	Confident	88.5	Confident	77 Å²	77	37.1 Å²	37.1	36%	0.36	18%	0.181	S	C	.	.	H	α-helix	trans	-50.1	-45.4	-170.5	-54.9	171.8	161.4	0	0	114.4	Q241 V242 K316 V319	E238-Q241 WeakPolarHBondContact O-CB 3.44Å; E238-Q241 PolarHBondContact O-N 2.93Å; E238-V242 WeakPolarHBondContact O-CG2 3.01Å; E238-V242 PolarHBondContact O-N 3.32Å; E238-K316 HydrophobicContact CG-CG 4.47Å; E238-K316 WeakPolarHBondContact OE1-CG 3.27Å; E238-K316 IonicContact OE1-NZ 3.74Å; E238-K316 PolarHBondContact OE1-NZ 3.12Å; E238-K316 IonicContact OE2-NZ 3.69Å; E238-K316 PolarHBondContact OE2-NZ 2.7Å; E238-V319 HydrophobicContact CB-CG2 4.33Å
239	W	87.6	Confident	88.6	Confident	152 Å²	152	34.6 Å²	34.6	58%	0.576	17%	0.17	S	C	*	.	H	α-helix	trans	-65.9	-39.1	176.8	-61.6	98.1	0	0	0	112	E237 V242 V243	E237-W239 VanDerWaalsContact C-N 3.34Å; E237-W239 PolarHBondContact O-N 2.85Å; E237-W239 VanDerWaalsContact O-N 3.16Å; W239-V242 PolarHBondContact O-N 3.01Å; W239-V243 WeakPolarHBondContact O-CG2 3.37Å; W239-V243 PolarHBondContact O-N 3.39Å
240	G	89.2	Confident	88.6	Confident	2 Å²	2	36.4 Å²	36.4	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-65.8	-37.7	173.7	0	0	0	0	0	112.5	E237 V242 V243 I244	E237-G240 CarbonylContact O-C 3.54Å; E237-G240 VanDerWaalsContact O-CA 3.3Å; E237-G240 WeakPolarHBondContact O-CA 3.31Å; E237-G240 PolarHBondContact O-N 3.22Å; G240-V242 VanDerWaalsContact C-N 3.33Å; G240-V242 PolarHBondContact O-N 3.09Å; G240-V243 PolarHBondContact O-N 3.07Å; G240-I244 WeakPolarHBondContact O-CB 3.49Å; G240-I244 WeakPolarHBondContact O-CD1 3.04Å; G240-I244 WeakPolarHBondContact O-CG1 3.48Å; G240-I244 PolarHBondContact O-N 3.41Å
241	Q	90.3	Very high	88.6	Confident	9 Å²	9	36.9 Å²	36.9	4%	0.042	18%	0.178	C	C	.	.	H	α-helix	trans	-58.6	-45.9	174.7	-62.7	-177.5	-1	0	0	111.1	L233 V236 E237 E238 I244 I245 V319	L233-Q241 HydrophobicContact CD1-CB 4.29Å; L233-Q241 HydrophobicContact CD1-CG 4.44Å; L233-Q241 WeakPolarHBondContact O-CG 3.41Å; L233-Q241 PolarHBondContact O-NE2 2.89Å; V236-Q241 HydrophobicContact CB-CG 4.39Å; V236-Q241 WeakPolarHBondContact O-CG 3.32Å; V236-Q241 PolarHBondContact O-NE2 3.49Å; E237-Q241 PolarHBondContact O-N 3.31Å; E238-Q241 WeakPolarHBondContact O-CB 3.44Å; E238-Q241 PolarHBondContact O-N 2.93Å; Q241-I244 PolarHBondContact O-N 2.73Å; Q241-I245 WeakPolarHBondContact O-CB 2.91Å; Q241-I245 WeakPolarHBondContact O-CD1 3.28Å; Q241-I245 WeakPolarHBondContact O-CG1 3.19Å; Q241-I245 PolarHBondContact O-N 3.34Å; Q241-V319 HydrophobicContact CB-CG2 4.41Å
242	V	90.1	Very high	88.5	Confident	13 Å²	13	32.7 Å²	32.7	8%	0.079	16%	0.156	C	C	.	.	H	α-helix	trans	-63.2	-47.5	-180	173.4	0	0	0	0	111.7	E238 W239 G240 I245 N246 Q318 V319 A322	E238-V242 WeakPolarHBondContact O-CG2 3.01Å; E238-V242 PolarHBondContact O-N 3.32Å; W239-V242 PolarHBondContact O-N 3.01Å; G240-V242 VanDerWaalsContact C-N 3.33Å; G240-V242 PolarHBondContact O-N 3.09Å; V242-I245 PolarHBondContact O-N 3.09Å; V242-N246 PolarHBondContact O-N 3.38Å; V242-Q318 HydrophobicContact CG1-CG 4.22Å; V242-Q318 HydrophobicContact CG2-CB 4.22Å; V242-Q318 HydrophobicContact CG2-CG 3.75Å; V242-V319 HydrophobicContact CG2-CG2 4.05Å; V242-A322 HydrophobicContact CG1-CB 4.25Å; V242-A322 HydrophobicContact CG2-CB 4.33Å
243	V	90.1	Very high	88.4	Confident	32 Å²	32	32.4 Å²	32.4	19%	0.194	15%	0.152	C	C	.	.	H	α-helix	trans	-62.8	-46.5	177.7	173.9	0	0	0	0	111.2	V208 M209 W239 G240 I245 N246 M247	V208-V243 HydrophobicContact CB-CG1 4.47Å; V208-V243 HydrophobicContact CG1-CG1 4.14Å; M209-V243 HydrophobicContact CB-CG1 4.02Å; W239-V243 WeakPolarHBondContact O-CG2 3.37Å; W239-V243 PolarHBondContact O-N 3.39Å; G240-V243 PolarHBondContact O-N 3.07Å; V243-I245 VanDerWaalsContact C-N 3.33Å; V243-I245 PolarHBondContact O-N 3.49Å; V243-N246 PolarHBondContact O-N 2.88Å; V243-M247 WeakPolarHBondContact O-CB 3.48Å; V243-M247 PolarHBondContact O-N 3.33Å
244	I	91.2	Very high	88.2	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-62.7	-40.8	178.4	-65	166.7	0	0	0	110.7	V208 L229 L233 V236 G240 Q241 L248	V208-I244 HydrophobicContact CB-CG1 4.02Å; V208-I244 HydrophobicContact CG1-CG1 4.19Å; V208-I244 HydrophobicContact CG2-CG1 4.02Å; L229-I244 HydrophobicContact CB-CG2 4.44Å; L233-I244 HydrophobicContact CD1-CB 3.85Å; L233-I244 HydrophobicContact CD1-CD1 4.38Å; L233-I244 HydrophobicContact CD1-CG2 3.7Å; V236-I244 HydrophobicContact CG1-CD1 3.98Å; V236-I244 HydrophobicContact CG2-CD1 4.31Å; G240-I244 WeakPolarHBondContact O-CB 3.49Å; G240-I244 WeakPolarHBondContact O-CD1 3.04Å; G240-I244 WeakPolarHBondContact O-CG1 3.48Å; G240-I244 PolarHBondContact O-N 3.41Å; Q241-I244 PolarHBondContact O-N 2.73Å; I244-L248 HydrophobicContact CG2-CD1 3.54Å; I244-L248 HydrophobicContact CG2-CG 4.04Å; I244-L248 VanDerWaalsContact O-CB 3.22Å; I244-L248 WeakPolarHBondContact O-CB 3.27Å; I244-L248 WeakPolarHBondContact O-CG 3.36Å; I244-L248 PolarHBondContact O-N 3.1Å
245	I	91.3	Very high	88	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.9	-42.2	176.1	-71.3	163.7	0	0	0	111.5	L233 Q241 V242 V243 L248 T249 T308 L311 A322 V323 L326	L233-I245 HydrophobicContact CD1-CG1 4.3Å; L233-I245 HydrophobicContact CD2-CD1 4.34Å; L233-I245 HydrophobicContact CD2-CG1 3.93Å; Q241-I245 WeakPolarHBondContact O-CB 2.91Å; Q241-I245 WeakPolarHBondContact O-CD1 3.28Å; Q241-I245 WeakPolarHBondContact O-CG1 3.19Å; Q241-I245 PolarHBondContact O-N 3.34Å; V242-I245 PolarHBondContact O-N 3.09Å; V243-I245 VanDerWaalsContact C-N 3.33Å; V243-I245 PolarHBondContact O-N 3.49Å; I245-L248 PolarHBondContact O-N 2.96Å; I245-T249 WeakPolarHBondContact O-CB 3.24Å; I245-T249 PolarHBondContact O-N 2.69Å; I245-T249 PolarHBondContact O-OG1 3.44Å; I245-T308 HydrophobicContact CG1-CG2 4.4Å; I245-L311 HydrophobicContact CD1-CD1 4.1Å; I245-A322 HydrophobicContact CB-CB 4.22Å; I245-A322 HydrophobicContact CD1-CB 4.34Å; I245-A322 HydrophobicContact CG2-CB 3.85Å; I245-A322 WeakPolarHBondContact CG2-O 3.37Å; I245-V323 HydrophobicContact CD1-CG2 3.88Å; I245-L326 HydrophobicContact CG2-CB 3.91Å; I245-L326 HydrophobicContact CG2-CD1 4.29Å; I245-L326 HydrophobicContact CG2-CD2 4.26Å; I245-L326 HydrophobicContact CG2-CG 4.39Å
246	N	90	Very high	87.8	Confident	41 Å²	41	26.3 Å²	26.3	22%	0.219	12%	0.121	C	C	.	.	H	α-helix	trans	-63.3	-49.4	177.8	-75.1	-16.8	0	0	0	112	V242 V243 L248 T249 R250 Q325	V242-N246 PolarHBondContact O-N 3.38Å; V243-N246 PolarHBondContact O-N 2.88Å; N246-L248 PolarHBondContact O-N 3.06Å; N246-T249 WeakPolarHBondContact O-CB 3.36Å; N246-T249 PolarHBondContact O-N 3.08Å; N246-T249 VanDerWaalsContact O-N 3.13Å; N246-R250 PolarHBondContact O-N 3.14Å; N246-R250 VanDerWaalsContact O-N 3.12Å; N246-Q325 PolarHBondContact OD1-NE2 2.91Å
247	M	89.9	Confident	87.4	Confident	10 Å²	10	28.2 Å²	28.2	5%	0.049	13%	0.131	C	C	.	.	H	α-helix	trans	-59.7	-46.4	175.3	179.1	-76.8	-65.4	0	0	111.2	V208 F211 I222 L229 V243 T249 R250 Y251	V208-M247 HydrophobicContact CG1-CB 3.73Å; V208-M247 HydrophobicContact CG1-CE 3.59Å; V208-M247 HydrophobicContact CG1-CG 3.78Å; V208-M247 HydrophobicContact CG2-CE 4.3Å; F211-M247 HydrophobicContact CD1-CG 4.33Å; F211-M247 HydrophobicContact CE1-CG 4.34Å; I222-M247 HydrophobicContact CD1-CE 4.04Å; I222-M247 HydrophobicContact CD1-SD 4.06Å; I222-M247 HydrophobicContact CG1-SD 4.03Å; I222-M247 HydrophobicContact CG2-CE 4.18Å; I222-M247 HydrophobicContact CG2-SD 3.92Å; L229-M247 HydrophobicContact CD1-CE 3.87Å; V243-M247 WeakPolarHBondContact O-CB 3.48Å; V243-M247 PolarHBondContact O-N 3.33Å; M247-T249 PolarHBondContact O-N 3.17Å; M247-R250 PolarHBondContact O-N 3.15Å; M247-R250 VanDerWaalsContact O-N 3.16Å; M247-Y251 WeakPolarHBondContact O-CB 3.1Å; M247-Y251 PolarHBondContact O-N 3.22Å
248	L	90.4	Very high	86.9	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65.5	-26	176.9	-69.2	175.3	0	0	0	112.6	Y226 I244 I245 N246 A252 L304	Y226-L248 HydrophobicContact CD2-CD2 3.68Å; Y226-L248 HydrophobicContact CE2-CD2 3.67Å; I244-L248 HydrophobicContact CG2-CD1 3.54Å; I244-L248 HydrophobicContact CG2-CG 4.04Å; I244-L248 VanDerWaalsContact O-CB 3.22Å; I244-L248 WeakPolarHBondContact O-CB 3.27Å; I244-L248 WeakPolarHBondContact O-CG 3.36Å; I244-L248 PolarHBondContact O-N 3.1Å; I245-L248 PolarHBondContact O-N 2.96Å; N246-L248 PolarHBondContact O-N 3.06Å; L248-A252 WeakPolarHBondContact O-CB 3.46Å; L248-A252 PolarHBondContact O-N 3.48Å; L248-L304 HydrophobicContact CB-CD1 4.22Å; L248-L304 HydrophobicContact CB-CD2 4.2Å; L248-L304 HydrophobicContact CD1-CD1 3.83Å
249	T	89.1	Confident	86.4	Confident	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-67.4	-45.9	171.7	-52.2	0	0	0	0	111	I245 N246 M247 A252 R253 L326 H329 L330 L640	I245-T249 WeakPolarHBondContact O-CB 3.24Å; I245-T249 PolarHBondContact O-N 2.69Å; I245-T249 PolarHBondContact O-OG1 3.44Å; N246-T249 WeakPolarHBondContact O-CB 3.36Å; N246-T249 PolarHBondContact O-N 3.08Å; N246-T249 VanDerWaalsContact O-N 3.13Å; M247-T249 PolarHBondContact O-N 3.17Å; T249-A252 PolarHBondContact O-N 3.14Å; T249-R253 PolarHBondContact O-N 2.88Å; T249-R253 VanDerWaalsContact O-N 3.11Å; T249-L326 HydrophobicContact CG2-CD1 4.46Å; T249-L326 WeakPolarHBondContact OG1-CD1 2.88Å; T249-H329 HydrophobicContact CG2-CB 4.43Å; T249-L330 HydrophobicContact CG2-CG 4.42Å; T249-L640 HydrophobicContact CG2-CD2 4.1Å
250	R	87.3	Confident	85.7	Confident	44 Å²	44	17.4 Å²	17.4	17%	0.166	9%	0.089	C	C	.	.	H	α-helix	trans	-65.3	-44.8	176.6	-68	180	175.3	-74.7	-15.4	111.7	E212 N246 M247 R253 T254 Q638 E639 L640	E212-R250 IonicContact OE1-NE 2.74Å; N246-R250 PolarHBondContact O-N 3.14Å; N246-R250 VanDerWaalsContact O-N 3.12Å; M247-R250 PolarHBondContact O-N 3.15Å; M247-R250 VanDerWaalsContact O-N 3.16Å; R250-R253 PolarHBondContact O-N 3.25Å; R250-T254 PolarHBondContact O-N 3.38Å; R250-T254 PolarHBondContact O-OG1 3.26Å; R250-Q638 PolarHBondContact NH2-O 3.49Å; R250-E639 PolarHBondContact NH1-O 3.1Å; R250-L640 HydrophobicContact CG-CD2 4.33Å
251	Y	87.6	Confident	84.5	Confident	10 Å²	10	20.6 Å²	20.6	4%	0.039	11%	0.106	C	C	.	.	H	α-helix	trans	-57.2	-51.1	173.2	175.8	-80.6	0	0	0	111.1	I219 I222 H223 Y226 M247 R253 T254 Q255 F256 R653	I219-Y251 HydrophobicContact CG2-CD2 3.7Å; I219-Y251 HydrophobicContact CG2-CE2 3.68Å; I222-Y251 HydrophobicContact CB-CD2 3.98Å; I222-Y251 HydrophobicContact CB-CE2 4Å; I222-Y251 HydrophobicContact CG2-CD2 3.51Å; I222-Y251 HydrophobicContact CG2-CE2 3.64Å; I222-Y251 HydrophobicContact CG2-CG 4.27Å; H223-Y251 AromaticContact CE1-CE2 3.8Å; H223-Y251 AromaticContact ND1-CE2 3.42Å; H223-Y251 WeakPolarHBondContact ND1-CE2 3.39Å; H223-Y251 AromaticContact ND1-CZ 3.53Å; H223-Y251 PolarHBondContact ND1-OH 3.26Å; Y226-Y251 AromaticContact CD2-CD1 3.7Å; Y226-Y251 HydrophobicContact CD2-CD1 3.7Å; Y226-Y251 AromaticContact CD2-CE1 3.24Å; Y226-Y251 HydrophobicContact CD2-CE1 3.24Å; Y226-Y251 HydrophobicContact CD2-CE2 4.34Å; Y226-Y251 HydrophobicContact CD2-CG 4.43Å; Y226-Y251 AromaticContact CD2-CZ 3.6Å; Y226-Y251 AromaticContact CE2-CD1 3.47Å; Y226-Y251 HydrophobicContact CE2-CD1 3.47Å; Y226-Y251 VanDerWaalsContact CE2-CD1 3.47Å; Y226-Y251 AromaticContact CE2-CE1 3.25Å; Y226-Y251 HydrophobicContact CE2-CE1 3.25Å; Y226-Y251 HydrophobicContact CE2-CG 4.48Å; Y226-Y251 HydrophobicContact CG-CE1 4.11Å; M247-Y251 WeakPolarHBondContact O-CB 3.1Å; M247-Y251 PolarHBondContact O-N 3.22Å; Y251-R253 VanDerWaalsContact C-N 3.28Å; Y251-R253 PolarHBondContact O-N 3.3Å; Y251-T254 PolarHBondContact O-N 3.12Å; Y251-T254 PolarHBondContact O-OG1 3.43Å; Y251-T254 VanDerWaalsContact O-OG1 3.04Å; Y251-Q255 HydrophobicContact CD1-CB 4.17Å; Y251-Q255 HydrophobicContact CD1-CG 4.18Å; Y251-Q255 HydrophobicContact CD2-CG 4.15Å; Y251-Q255 HydrophobicContact CE1-CB 3.89Å; Y251-Q255 HydrophobicContact CE1-CG 4.03Å; Y251-Q255 HydrophobicContact CE2-CG 4.02Å; Y251-Q255 HydrophobicContact CG-CG 4.23Å; Y251-Q255 VanDerWaalsContact O-CB 3.28Å; Y251-Q255 WeakPolarHBondContact O-CB 3.45Å; Y251-Q255 VanDerWaalsContact O-CG 3.27Å; Y251-Q255 WeakPolarHBondContact O-CG 3.13Å; Y251-Q255 PolarHBondContact O-N 2.8Å; Y251-F256 HydrophobicContact CE1-CE2 4.33Å; Y251-F256 HydrophobicContact CE1-CZ 4.39Å; Y251-R653 PolarHBondContact OH-NE 3.34Å
252	A	85.9	Confident	82.8	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63	-35.1	-176.5	0	0	0	0	0	112.6	L248 T249 T254 Q255 F256 L304 L330	L248-A252 WeakPolarHBondContact O-CB 3.46Å; L248-A252 PolarHBondContact O-N 3.48Å; T249-A252 PolarHBondContact O-N 3.14Å; A252-T254 VanDerWaalsContact C-N 3.33Å; A252-T254 PolarHBondContact O-N 3.41Å; A252-Q255 PolarHBondContact O-N 3.48Å; A252-F256 HydrophobicContact CB-CD2 3.7Å; A252-F256 HydrophobicContact CB-CE2 3.84Å; A252-F256 WeakPolarHBondContact O-CD2 3.24Å; A252-F256 PolarHBondContact O-N 3.13Å; A252-L304 HydrophobicContact CB-CD2 4.23Å; A252-L330 HydrophobicContact CB-CD1 3.43Å; A252-L330 VanDerWaalsContact CB-CD1 3.43Å; A252-L330 HydrophobicContact CB-CD2 3.7Å; A252-L330 HydrophobicContact CB-CG 4.23Å
253	R	85.1	Confident	81	Confident	32 Å²	32	27 Å²	27	12%	0.121	14%	0.137	C	C	.	.	H	α-helix	trans	-63.7	-32.9	172.4	-82.4	-54.5	-166	91.7	-9.5	114.2	T249 R250 Y251 H329 L330 L640 P641 W643 P644	T249-R253 PolarHBondContact O-N 2.88Å; T249-R253 VanDerWaalsContact O-N 3.11Å; R250-R253 PolarHBondContact O-N 3.25Å; Y251-R253 VanDerWaalsContact C-N 3.28Å; Y251-R253 PolarHBondContact O-N 3.3Å; R253-H329 PolarHBondContact NE-O 2.83Å; R253-H329 PolarHBondContact NH2-O 3.21Å; R253-L330 HydrophobicContact CG-CD2 3.93Å; R253-L640 HydrophobicContact CG-CD2 4.22Å; R253-P641 HydrophobicContact CB-CB 4.4Å; R253-P641 WeakPolarHBondContact CB-O 3.34Å; R253-P641 PolarHBondContact NH1-O 2.83Å; R253-P641 VanDerWaalsContact NH1-O 3.09Å; R253-W643 VanDerWaalsContact CD-CD2 3.46Å; R253-W643 VanDerWaalsContact NE-CE2 3.29Å; R253-W643 WeakPolarHBondContact O-CA 3.49Å; R253-P644 WeakPolarHBondContact O-CD 3.41Å
254	T	83.3	Confident	79	Confident	37 Å²	37	27.8 Å²	27.8	23%	0.227	14%	0.144	C	C	.	.	H	α-helix	trans	-91.2	-11.5	179.7	56.2	0	0	0	0	114.2	R250 Y251 A252 P641	R250-T254 PolarHBondContact O-N 3.38Å; R250-T254 PolarHBondContact O-OG1 3.26Å; Y251-T254 PolarHBondContact O-N 3.12Å; Y251-T254 PolarHBondContact O-OG1 3.43Å; Y251-T254 VanDerWaalsContact O-OG1 3.04Å; A252-T254 VanDerWaalsContact C-N 3.33Å; A252-T254 PolarHBondContact O-N 3.41Å; T254-P641 HydrophobicContact CG2-CB 3.49Å; T254-P641 VanDerWaalsContact CG2-CB 3.49Å; T254-P641 HydrophobicContact CG2-CG 3.68Å
255	Q	81.4	Confident	76.6	Confident	17 Å²	17	33.1 Å²	33.1	8%	0.079	17%	0.172	C	C	.	.	H	α-helix	trans	-124.5	-7.6	-165.9	-63.2	-57.4	-46.3	0	0	115.8	I219 H223 Y251 A252 R653	I219-Q255 HydrophobicContact CG2-CG 4.24Å; H223-Q255 PolarHBondContact CE1-OE1 3.17Å; H223-Q255 VanDerWaalsContact CE1-OE1 3.26Å; Y251-Q255 HydrophobicContact CD1-CB 4.17Å; Y251-Q255 HydrophobicContact CD1-CG 4.18Å; Y251-Q255 HydrophobicContact CD2-CG 4.15Å; Y251-Q255 HydrophobicContact CE1-CB 3.89Å; Y251-Q255 HydrophobicContact CE1-CG 4.03Å; Y251-Q255 HydrophobicContact CE2-CG 4.02Å; Y251-Q255 HydrophobicContact CG-CG 4.23Å; Y251-Q255 VanDerWaalsContact O-CB 3.28Å; Y251-Q255 WeakPolarHBondContact O-CB 3.45Å; Y251-Q255 VanDerWaalsContact O-CG 3.27Å; Y251-Q255 WeakPolarHBondContact O-CG 3.13Å; Y251-Q255 PolarHBondContact O-N 2.8Å; A252-Q255 PolarHBondContact O-N 3.48Å; Q255-R653 PolarHBondContact O-NH2 2.91Å
256	F	83.3	Confident	74.4	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.009	21%	0.205	C	C	.	.	S	Bend	trans	-127.8	158.7	174.4	-54.4	-68.2	0	0	0	110.2	Y226 Y251 A252 D298 D300 H301 W643 P644	Y226-F256 HydrophobicContact CE1-CZ 4.33Å; Y226-F256 HydrophobicContact CE2-CZ 4.45Å; Y226-F256 AromaticContact CZ-CZ 3.84Å; Y226-F256 WeakPolarHBondContact OH-CE2 3.43Å; Y226-F256 WeakPolarHBondContact OH-CZ 3.49Å; Y251-F256 HydrophobicContact CE1-CE2 4.33Å; Y251-F256 HydrophobicContact CE1-CZ 4.39Å; A252-F256 HydrophobicContact CB-CD2 3.7Å; A252-F256 HydrophobicContact CB-CE2 3.84Å; A252-F256 WeakPolarHBondContact O-CD2 3.24Å; A252-F256 PolarHBondContact O-N 3.13Å; F256-D298 HydrophobicContact CD1-CB 3.82Å; F256-D298 VanDerWaalsContact CD1-OD2 3.29Å; F256-D298 WeakPolarHBondContact CD1-OD2 3.16Å; F256-D298 HydrophobicContact CE1-CB 4.07Å; F256-D298 VanDerWaalsContact CE1-OD2 3.28Å; F256-D298 WeakPolarHBondContact CE1-OD2 3.38Å; F256-D300 HydrophobicContact CE1-CB 3.97Å; F256-D300 HydrophobicContact CZ-CB 4.03Å; F256-H301 HydrophobicContact CD1-CB 3.81Å; F256-H301 HydrophobicContact CD2-CB 3.88Å; F256-H301 AromaticContact CD2-CG 3.73Å; F256-H301 AromaticContact CD2-ND1 3.9Å; F256-H301 HydrophobicContact CE1-CB 3.82Å; F256-H301 HydrophobicContact CE2-CB 3.93Å; F256-H301 HydrophobicContact CG-CB 3.83Å; F256-H301 AromaticContact CG-CG 3.9Å; F256-H301 AromaticContact CG-ND1 3.81Å; F256-H301 HydrophobicContact CZ-CB 3.9Å; F256-W643 VanDerWaalsContact O-CE3 3.28Å; F256-P644 WeakPolarHBondContact O-CD 3.49Å; F256-P644 WeakPolarHBondContact O-CG 3.38Å
257	L	80.1	Confident	72.1	Confident	47 Å²	47	43.7 Å²	43.7	25%	0.246	22%	0.224	C	C	.	.			trans	-73.9	153.1	169	-58.8	179	0	0	0	110.8	P259 I261 Y295 P644 A647	L257-P259 WeakPolarHBondContact O-CD 3.28Å; L257-I261 HydrophobicContact CB-CD1 4.46Å; L257-Y295 HydrophobicContact CB-CE2 4.09Å; L257-Y295 HydrophobicContact CD1-CE2 4.44Å; L257-Y295 PolarHBondContact O-OH 3.44Å; L257-P644 VanDerWaalsContact CD2-O 3.22Å; L257-P644 WeakPolarHBondContact CD2-O 3.37Å; L257-A647 HydrophobicContact CD2-CB 4.48Å; L257-A647 HydrophobicContact CG-CB 4.21Å
258	N	76.9	Confident	69.6	Low	35 Å²	35	51.4 Å²	51.4	19%	0.187	26%	0.259	C	S	.	.			trans	-62.1	120.3	171.9	175.3	6	0	0	0	110	N260 I261 W643	N258-N260 PolarHBondContact O-N 3.35Å; N258-N260 PolarHBondContact OD1-N 2.86Å; N258-N260 VanDerWaalsContact OD1-N 3.07Å; N258-N260 PolarHBondContact OD1-ND2 3.29Å; N258-I261 HydrophobicContact CB-CD1 4.01Å; N258-I261 HydrophobicContact CB-CG1 3.79Å; N258-I261 WeakPolarHBondContact O-CD1 3.37Å; N258-I261 VanDerWaalsContact O-CG1 3.31Å; N258-I261 WeakPolarHBondContact O-CG1 3.39Å; N258-W643 HydrophobicContact CB-CB 4.16Å; N258-W643 HydrophobicContact CB-CD2 3.63Å; N258-W643 HydrophobicContact CB-CE3 4.32Å; N258-W643 HydrophobicContact CB-CG 3.6Å; N258-W643 HydrophobicContact CB-CZ2 4.2Å
259	P	74.3	Confident	66.7	Low	16 Å²	16	54.1 Å²	54.1	10%	0.104	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	1.2	-176.5	29.4	-33.9	0	0	0	114.9	L257 Y295 L330 P332	L257-P259 WeakPolarHBondContact O-CD 3.28Å; P259-Y295 VanDerWaalsContact CA-CE1 3.44Å; P259-Y295 HydrophobicContact CB-CD1 4.24Å; P259-Y295 HydrophobicContact CB-CE1 3.56Å; P259-L330 WeakPolarHBondContact CG-O 3.5Å; P259-P332 HydrophobicContact CB-CG 4.17Å; P259-P332 HydrophobicContact CG-CG 4.39Å
260	N	72.4	Confident	63.9	Low	17 Å²	17	57.6 Å²	57.6	9%	0.091	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	6.8	-175.9	-42.6	-90.1	0	0	0	113.5	N258 N262 E263 S264 P332 K333	N258-N260 PolarHBondContact O-N 3.35Å; N258-N260 PolarHBondContact OD1-N 2.86Å; N258-N260 VanDerWaalsContact OD1-N 3.07Å; N258-N260 PolarHBondContact OD1-ND2 3.29Å; N260-N262 PolarHBondContact O-N 2.95Å; N260-E263 WeakPolarHBondContact O-CB 3.39Å; N260-E263 PolarHBondContact O-N 2.87Å; N260-S264 PolarHBondContact O-N 2.85Å; N260-S264 VanDerWaalsContact O-N 3.09Å; N260-S264 PolarHBondContact O-OG 3.11Å; N260-P332 WeakPolarHBondContact OD1-CA 3.31Å; N260-K333 PolarHBondContact OD1-N 2.95Å
261	I	65.4	Low	61.2	Low	70 Å²	70	59.1 Å²	59.1	36%	0.359	35%	0.352	S	S	.	.	H	α-helix	trans	-53.3	-48.5	-174	-69.5	162.3	0	0	0	112.5	L257 N258 E263 S264	L257-I261 HydrophobicContact CB-CD1 4.46Å; N258-I261 HydrophobicContact CB-CD1 4.01Å; N258-I261 HydrophobicContact CB-CG1 3.79Å; N258-I261 WeakPolarHBondContact O-CD1 3.37Å; N258-I261 VanDerWaalsContact O-CG1 3.31Å; N258-I261 WeakPolarHBondContact O-CG1 3.39Å; I261-E263 PolarHBondContact O-N 2.9Å; I261-S264 PolarHBondContact O-OG 3.02Å
262	N	54.7	Low	58.5	Low	77 Å²	77	62.9 Å²	62.9	41%	0.412	39%	0.385	S	S	.	.	H	α-helix	trans	-68.7	-17.2	-178.6	-62.4	19.7	0	0	0	112.7	N260	N260-N262 PolarHBondContact O-N 2.95Å
263	E	51.9	Low	56.1	Low	80 Å²	80	70.4 Å²	70.4	37%	0.374	43%	0.426	S	S	.	.	H	α-helix	trans	-97	-30	-174.1	-159.2	178.5	-153.6	0	0	111.7	N260 I261 L265 L266 E267 K333	N260-E263 WeakPolarHBondContact O-CB 3.39Å; N260-E263 PolarHBondContact O-N 2.87Å; I261-E263 PolarHBondContact O-N 2.9Å; E263-L265 VanDerWaalsContact C-N 3.34Å; E263-L266 PolarHBondContact O-N 3.5Å; E263-E267 PolarHBondContact O-N 3.43Å; E263-K333 HydrophobicContact CG-CD 4.38Å; E263-K333 WeakPolarHBondContact OE2-CD 3.5Å; E263-K333 WeakPolarHBondContact OE2-CE 3.1Å; E263-K333 VanDerWaalsContact OE2-CG 3.27Å; E263-K333 WeakPolarHBondContact OE2-CG 3.35Å; E263-K333 IonicContact OE2-NZ 4Å
264	S	47.2	Very low	53.7	Low	47 Å²	47	79 Å²	79	33%	0.329	46%	0.464	S	S	.	.	H	α-helix	trans	-64.7	-36.8	169.5	33.4	0	0	0	0	112.6	N260 I261 L266 E267 E268	N260-S264 PolarHBondContact O-N 2.85Å; N260-S264 VanDerWaalsContact O-N 3.09Å; N260-S264 PolarHBondContact O-OG 3.11Å; I261-S264 PolarHBondContact O-OG 3.02Å; S264-L266 PolarHBondContact O-N 2.9Å; S264-E267 PolarHBondContact O-N 3.35Å; S264-E268 PolarHBondContact O-N 3.12Å
265	L	42.3	Very low	51.3	Low	114 Å²	114	82.5 Å²	82.5	60%	0.597	49%	0.486	S	S	*	.	H	α-helix	trans	-66.4	-21.9	176.2	-69.4	170.2	0	0	0	113.2	E263	E263-L265 VanDerWaalsContact C-N 3.34Å
266	L	43.5	Very low	49.2	Very low	135 Å²	135	91 Å²	91	71%	0.707	52%	0.522	S	S	*	.	H	α-helix	trans	-85.1	-32.8	174.7	-65.6	171.4	0	0	0	111.9	E263 S264 G269 G270	E263-L266 PolarHBondContact O-N 3.5Å; S264-L266 PolarHBondContact O-N 2.9Å; L266-G269 PolarHBondContact O-N 3.4Å; L266-G270 PolarHBondContact O-N 2.74Å
267	E	42.9	Very low	47.2	Very low	128 Å²	128	100.4 Å²	100.4	60%	0.598	56%	0.56	S	S	*	*	H	α-helix	trans	-71.9	-39	175.5	-78.1	172.8	170.9	0	0	112.7	E263 S264 G269 G270 K333	E263-E267 PolarHBondContact O-N 3.43Å; S264-E267 PolarHBondContact O-N 3.35Å; E267-G269 PolarHBondContact O-N 2.83Å; E267-G270 PolarHBondContact O-N 2.69Å; E267-K333 IonicContact OE1-NZ 3.34Å; E267-K333 PolarHBondContact OE1-NZ 3.32Å; E267-K333 IonicContact OE2-NZ 3.47Å; E267-K333 PolarHBondContact OE2-NZ 3.28Å
268	E	36.2	Very low	44.9	Very low	172 Å²	172	101.6 Å²	101.6	80%	0.804	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-20.6	174.2	-68.8	-174.4	149.7	0	0	112.8	S264	S264-E268 PolarHBondContact O-N 3.12Å
269	G	30.1	Very low	42.6	Very low	56 Å²	56	105.4 Å²	105.4	58%	0.577	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-1.7	175.3	0	0	0	0	0	115.4	L266 E267 G271	L266-G269 PolarHBondContact O-N 3.4Å; E267-G269 PolarHBondContact O-N 2.83Å; G269-G271 PolarHBondContact O-N 2.87Å
270	G	30.7	Very low	41	Very low	73 Å²	73	112.2 Å²	112.2	75%	0.753	65%	0.648	S	S	*	*			trans	-73.2	41.3	-172.5	0	0	0	0	0	116	L266 E267	L266-G270 PolarHBondContact O-N 2.74Å; E267-G270 PolarHBondContact O-N 2.69Å
271	G	30.9	Very low	39	Very low	76 Å²	76	120.1 Å²	120.1	78%	0.784	68%	0.684	S	S	*	*	S	Bend	trans	-128.9	12.7	-168.7	0	0	0	0	0	116.4	G269	G269-G271 PolarHBondContact O-N 2.87Å
272	A	29.3	Very low	37.4	Very low	89 Å²	89	123.5 Å²	123.5	74%	0.736	70%	0.703	S	S	*	*	S	Bend	trans	-151.7	134.3	172.4	0	0	0	0	0	111.7	K274	A272-K274 PolarHBondContact O-N 2.9Å
273	D	36.6	Very low	36.4	Very low	159 Å²	159	128.2 Å²	128.2	85%	0.85	72%	0.722	S	S	*	*			trans	-65.3	115.5	170.2	-73.8	-59.6	0	0	0	110.5	T275	D273-T275 HydrophobicContact CB-CG2 4.48Å; D273-T275 PolarHBondContact O-N 3.2Å
274	K	33.4	Very low	35.4	Very low	211 Å²	211	131.5 Å²	131.5	92%	0.917	74%	0.743	S	S	*	*			trans	-88.6	93.7	153.8	-83.2	-161.8	170.8	-169.8	0	108.4	A272	A272-K274 PolarHBondContact O-N 2.9Å
275	T	33.8	Very low	34.7	Very low	112 Å²	112	138.3 Å²	138.3	69%	0.687	77%	0.769	S	S	*	*			trans	-58.7	135.1	176.8	43.7	0	0	0	0	111.5	D273 Y277	D273-T275 HydrophobicContact CB-CG2 4.48Å; D273-T275 PolarHBondContact O-N 3.2Å; T275-Y277 PolarHBondContact O-N 2.89Å
276	F	38.1	Very low	34.3	Very low	194 Å²	194	140.9 Å²	140.9	85%	0.851	78%	0.784	S	S	*	*	S	Bend	trans	-68	-1.7	-170	-180	-127.5	0	0	0	115.7
277	Y	41.4	Very low	33.9	Very low	201 Å²	201	143.4 Å²	143.4	79%	0.788	79%	0.792	S	S	*	*			trans	-148.1	138.5	-178.5	-94.6	-90.9	0	0	0	112.6	T275	T275-Y277 PolarHBondContact O-N 2.89Å
278	G	30.6	Very low	33.4	Very low	71 Å²	71	145 Å²	145	73%	0.732	80%	0.799	S	S	*	*			trans	91.7	129.9	171.3	0	0	0	0	0	114.2
279	S	28.9	Very low	33.2	Very low	116 Å²	116	145.9 Å²	145.9	81%	0.811	80%	0.803	S	S	*	*			cis	-157.4	155.5	-7.9	47.6	0	0	0	0	110
280	D	40.5	Very low	33.5	Very low	158 Å²	158	150.8 Å²	150.8	85%	0.845	81%	0.809	S	S	*	*			trans	-70	133.9	176.9	-43.1	-84.3	0	0	0	111.8
281	E	30.9	Very low	33.7	Very low	183 Å²	183	156 Å²	156	86%	0.855	81%	0.813	S	S	*	*			trans	-167.6	95	158.4	-112.5	167.8	-144.4	0	0	109.7
282	D	31.8	Very low	34	Very low	141 Å²	141	161.4 Å²	161.4	75%	0.754	82%	0.816	S	S	*	*			trans	33.5	135	147.9	-48	-23	0	0	0	124
283	E	33.5	Very low	34.2	Very low	176 Å²	176	165.6 Å²	165.6	82%	0.822	82%	0.817	S	S	*	*			trans	47.5	133.2	136.9	-59	175.4	172.4	0	0	119.7
284	D	30.9	Very low	34.7	Very low	149 Å²	149	163.3 Å²	163.3	80%	0.797	81%	0.811	S	S	*	*			cis	-166.1	-175.1	19.5	-128.1	-9.5	0	0	0	112.5
285	E	32.5	Very low	35.7	Very low	190 Å²	190	156.8 Å²	156.8	89%	0.888	78%	0.781	S	S	*	*			trans	97.6	134.2	169.1	-59	-164	169.2	0	0	119.7
286	D	34.5	Very low	37	Very low	169 Å²	169	157.6 Å²	157.6	90%	0.904	79%	0.786	S	S	*	*			trans	-88.2	128.6	-163.1	-52.9	-96.5	0	0	0	116.6
287	E	34.6	Very low	38.5	Very low	187 Å²	187	149.8 Å²	149.8	87%	0.874	75%	0.752	S	S	*	*			trans	-131.2	138.6	141.5	-78.2	-155.7	165.1	0	0	110.8	E289	E287-E289 PolarHBondContact O-N 2.99Å
288	E	32.2	Very low	40.2	Very low	162 Å²	162	141.4 Å²	141.4	76%	0.757	72%	0.721	S	S	*	*			trans	-68.6	90.4	177.7	-69.7	-173.3	156.7	0	0	111.9	K290	E288-K290 VanDerWaalsContact C-N 3.31Å; E288-K290 PolarHBondContact O-N 3.2Å; E288-K290 IonicContact OE2-NZ 2.74Å
289	E	32.1	Very low	42.6	Very low	190 Å²	190	142.9 Å²	142.9	89%	0.888	72%	0.718	S	S	*	*			trans	-62.4	89.7	167.1	-79.9	-135.7	134.2	0	0	111.1	E287 E291	E287-E289 PolarHBondContact O-N 2.99Å; E289-E291 PolarHBondContact O-N 2.89Å
290	K	36.7	Very low	45.1	Very low	160 Å²	160	137.8 Å²	137.8	70%	0.696	68%	0.682	S	S	*	*			trans	-63.9	102.9	171.5	-76	165.4	-178.5	139.4	0	109.5	E288 K292	E288-K290 VanDerWaalsContact C-N 3.31Å; E288-K290 PolarHBondContact O-N 3.2Å; E288-K290 IonicContact OE2-NZ 2.74Å; K290-K292 PolarHBondContact O-N 3.45Å
291	E	34.8	Very low	47.2	Very low	181 Å²	181	130.3 Å²	130.3	85%	0.846	64%	0.641	S	S	*	*			trans	-40.1	101.7	173.2	-67.2	-173	137.2	0	0	111.5	E289 K293	E289-E291 PolarHBondContact O-N 2.89Å; E291-K293 VanDerWaalsContact C-N 3.3Å; E291-K293 PolarHBondContact O-N 3Å
292	K	37	Very low	49.9	Very low	191 Å²	191	126.8 Å²	126.8	83%	0.83	62%	0.62	S	S	*	*			trans	-74.7	86.6	-179.1	-74.1	175.3	-175.2	161.1	0	109	K290	K290-K292 PolarHBondContact O-N 3.45Å
293	K	32.8	Very low	52.5	Low	176 Å²	176	121.7 Å²	121.7	77%	0.765	59%	0.593	S	S	*	*			trans	-41	137.9	177.3	-68.2	176.7	-179.4	172.8	0	111.3	E291 Y295	E291-K293 VanDerWaalsContact C-N 3.3Å; E291-K293 PolarHBondContact O-N 3Å; K293-Y295 PolarHBondContact O-N 3.46Å
294	P	46.9	Very low	55.1	Low	111 Å²	111	113.3 Å²	113.3	72%	0.721	55%	0.554	S	S	*	*			trans	-50.3	137	176.2	-27	34.2	0	0	0	111.2	V296	P294-V296 PolarHBondContact O-N 3Å
295	Y	56.2	Low	57.8	Low	74 Å²	74	106.4 Å²	106.4	29%	0.29	52%	0.517	S	S	.	.			trans	-62.7	105.5	-177.4	174.9	-96.6	0	0	0	111	L257 P259 K293 M297	L257-Y295 HydrophobicContact CB-CE2 4.09Å; L257-Y295 HydrophobicContact CD1-CE2 4.44Å; L257-Y295 PolarHBondContact O-OH 3.44Å; P259-Y295 VanDerWaalsContact CA-CE1 3.44Å; P259-Y295 HydrophobicContact CB-CD1 4.24Å; P259-Y295 HydrophobicContact CB-CE1 3.56Å; K293-Y295 PolarHBondContact O-N 3.46Å; Y295-M297 HydrophobicContact CE1-CB 3.97Å; Y295-M297 HydrophobicContact CE1-CG 4.39Å; Y295-M297 PolarHBondContact O-N 2.84Å
296	V	59.9	Low	60.4	Low	129 Å²	129	106.3 Å²	106.3	78%	0.782	51%	0.508	S	S	*	.			trans	-84.4	106.7	173.9	-177.5	0	0	0	0	108.6	P294 D298	P294-V296 PolarHBondContact O-N 3Å; V296-D298 PolarHBondContact O-N 3.23Å
297	M	69.6	Low	62.9	Low	30 Å²	30	99.2 Å²	99.2	15%	0.148	47%	0.47	C	S	.	.			trans	-59.3	131	178.1	-172.1	175.7	-157.9	0	0	112	Y295 H301 L305 P332	Y295-M297 HydrophobicContact CE1-CB 3.97Å; Y295-M297 HydrophobicContact CE1-CG 4.39Å; Y295-M297 PolarHBondContact O-N 2.84Å; M297-H301 HydrophobicContact CE-CB 4.12Å; M297-H301 VanDerWaalsContact CE-CG 3.45Å; M297-H301 WeakPolarHBondContact CE-ND1 3.45Å; M297-H301 HydrophobicContact CG-CB 4.37Å; M297-L305 HydrophobicContact CE-CD1 3.57Å; M297-L305 HydrophobicContact SD-CD1 4.46Å; M297-P332 HydrophobicContact CE-CG 4.39Å; M297-P332 HydrophobicContact SD-CG 4.2Å
298	D	77.6	Confident	65.4	Low	25 Å²	25	90.3 Å²	90.3	13%	0.134	43%	0.429	C	S	.	.			trans	-49.8	127.1	177.2	-175.9	-33.7	0	0	0	111.1	F256 V296 D300 H301 R302 R653	F256-D298 HydrophobicContact CD1-CB 3.82Å; F256-D298 VanDerWaalsContact CD1-OD2 3.29Å; F256-D298 WeakPolarHBondContact CD1-OD2 3.16Å; F256-D298 HydrophobicContact CE1-CB 4.07Å; F256-D298 VanDerWaalsContact CE1-OD2 3.28Å; F256-D298 WeakPolarHBondContact CE1-OD2 3.38Å; V296-D298 PolarHBondContact O-N 3.23Å; D298-D300 PolarHBondContact O-N 2.94Å; D298-D300 VanDerWaalsContact O-N 3.14Å; D298-D300 WeakPolarHBondContact OD1-CB 3.35Å; D298-D300 PolarHBondContact OD1-N 3.35Å; D298-H301 HydrophobicContact CB-CB 4.09Å; D298-H301 WeakPolarHBondContact O-CB 3.32Å; D298-H301 PolarHBondContact O-N 2.82Å; D298-R302 PolarHBondContact O-N 3.46Å; D298-R653 IonicContact OD1-NH1 2.68Å; D298-R653 IonicContact OD2-CZ 3.78Å; D298-R653 IonicContact OD2-NH1 3.94Å; D298-R653 PolarHBondContact OD2-NH1 2.87Å; D298-R653 IonicContact OD2-NH2 3.35Å
299	P	80.3	Confident	67.9	Low	103 Å²	103	88.1 Å²	88.1	67%	0.669	42%	0.417	S	S	*	.	H	α-helix	trans	-52	-32.6	177.3	-28.9	36.1	0	0	0	114.9	R302 L303	P299-R302 PolarHBondContact O-N 2.94Å; P299-L303 WeakPolarHBondContact O-CB 3.05Å; P299-L303 PolarHBondContact O-N 3.26Å
300	D	82.1	Confident	70.4	Confident	9 Å²	9	82 Å²	82	5%	0.048	39%	0.393	C	S	.	.	H	α-helix	trans	-76	-31.8	177.2	-81.1	-34.6	0	0	0	112.8	Y226 R227 F256 D298 L304 R653	Y226-D300 HydrophobicContact CD1-CB 4.33Å; Y226-D300 HydrophobicContact CE1-CB 3.76Å; Y226-D300 WeakPolarHBondContact CE1-O 3.42Å; Y226-D300 PolarHBondContact OH-O 2.88Å; R227-D300 WeakPolarHBondContact CG-OD1 3.37Å; R227-D300 IonicContact CZ-OD1 3.28Å; R227-D300 IonicContact CZ-OD2 3.9Å; R227-D300 IonicContact NE-OD1 3.5Å; R227-D300 PolarHBondContact NE-OD1 3.38Å; R227-D300 IonicContact NE-OD2 3.41Å; R227-D300 PolarHBondContact NE-OD2 2.71Å; R227-D300 IonicContact NH2-OD1 2.68Å; R227-D300 PolarHBondContact NH2-OD1 3.09Å; R227-D300 IonicContact NH2-OD2 2.66Å; R227-D300 PolarHBondContact NH2-OD2 3.04Å; F256-D300 HydrophobicContact CE1-CB 3.97Å; F256-D300 HydrophobicContact CZ-CB 4.03Å; D298-D300 PolarHBondContact O-N 2.94Å; D298-D300 VanDerWaalsContact O-N 3.14Å; D298-D300 WeakPolarHBondContact OD1-CB 3.35Å; D298-D300 PolarHBondContact OD1-N 3.35Å; D300-L304 PolarHBondContact O-N 2.94Å; D300-R653 VanDerWaalsContact OD2-CD 3.31Å; D300-R653 WeakPolarHBondContact OD2-CD 3.41Å; D300-R653 IonicContact OD2-NH1 2.68Å
301	H	84.7	Confident	72.7	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-69.2	-39.5	169.5	-165.1	175.6	0	0	0	109.7	F256 M297 D298 L303 L304 L305	F256-H301 HydrophobicContact CD1-CB 3.81Å; F256-H301 HydrophobicContact CD2-CB 3.88Å; F256-H301 AromaticContact CD2-CG 3.73Å; F256-H301 AromaticContact CD2-ND1 3.9Å; F256-H301 HydrophobicContact CE1-CB 3.82Å; F256-H301 HydrophobicContact CE2-CB 3.93Å; F256-H301 HydrophobicContact CG-CB 3.83Å; F256-H301 AromaticContact CG-CG 3.9Å; F256-H301 AromaticContact CG-ND1 3.81Å; F256-H301 HydrophobicContact CZ-CB 3.9Å; M297-H301 HydrophobicContact CE-CB 4.12Å; M297-H301 VanDerWaalsContact CE-CG 3.45Å; M297-H301 WeakPolarHBondContact CE-ND1 3.45Å; M297-H301 HydrophobicContact CG-CB 4.37Å; D298-H301 HydrophobicContact CB-CB 4.09Å; D298-H301 WeakPolarHBondContact O-CB 3.32Å; D298-H301 PolarHBondContact O-N 2.82Å; H301-L303 PolarHBondContact O-N 3.21Å; H301-L304 PolarHBondContact O-N 3.46Å; H301-L305 PolarHBondContact O-N 3.39Å
302	R	86.8	Confident	74.7	Confident	109 Å²	109	66.7 Å²	66.7	41%	0.411	32%	0.323	S	S	.	.	H	α-helix	trans	-64.5	-36.5	175	-157.7	73.1	-178.9	131.7	-3.5	112.5	D298 P299 L305 R306 E335	D298-R302 PolarHBondContact O-N 3.46Å; P299-R302 PolarHBondContact O-N 2.94Å; R302-L305 PolarHBondContact O-N 3.23Å; R302-R306 WeakPolarHBondContact O-CB 3.3Å; R302-R306 PolarHBondContact O-N 3.07Å; R302-E335 IonicContact CZ-OE1 3.75Å; R302-E335 IonicContact CZ-OE2 2.67Å; R302-E335 IonicContact NH1-OE1 2.78Å; R302-E335 PolarHBondContact NH1-OE1 3.39Å; R302-E335 IonicContact NH1-OE2 3.2Å; R302-E335 PolarHBondContact NH1-OE2 3.22Å; R302-E335 IonicContact NH2-OE1 3.23Å; R302-E335 PolarHBondContact NH2-OE1 2.88Å; R302-E335 IonicContact NH2-OE2 2.67Å
303	L	86.4	Confident	76.7	Confident	35 Å²	35	65.2 Å²	65.2	18%	0.183	32%	0.319	C	S	.	.	H	α-helix	trans	-61	-43.9	175.7	-179.2	64	0	0	0	112.1	R227 C230 P299 H301 R306 N307	R227-L303 HydrophobicContact CB-CD2 4.1Å; R227-L303 HydrophobicContact CG-CD2 3.96Å; C230-L303 HydrophobicContact CB-CD2 4.25Å; C230-L303 HydrophobicContact CB-CG 4.25Å; P299-L303 WeakPolarHBondContact O-CB 3.05Å; P299-L303 PolarHBondContact O-N 3.26Å; H301-L303 PolarHBondContact O-N 3.21Å; L303-R306 PolarHBondContact O-N 3.03Å; L303-N307 PolarHBondContact O-N 3.48Å
304	L	88.1	Confident	78.7	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.4	-46.3	178.1	176.4	55.4	0	0	0	111.9	Y226 L248 A252 D300 H301 T308 L326 L330	Y226-L304 WeakPolarHBondContact OH-CB 3.46Å; L248-L304 HydrophobicContact CB-CD1 4.22Å; L248-L304 HydrophobicContact CB-CD2 4.2Å; L248-L304 HydrophobicContact CD1-CD1 3.83Å; A252-L304 HydrophobicContact CB-CD2 4.23Å; D300-L304 PolarHBondContact O-N 2.94Å; H301-L304 PolarHBondContact O-N 3.46Å; L304-T308 HydrophobicContact CD1-CG2 4.15Å; L304-T308 WeakPolarHBondContact O-CB 3.46Å; L304-T308 WeakPolarHBondContact O-CG2 3.43Å; L304-T308 PolarHBondContact O-N 3.47Å; L304-T308 VanDerWaalsContact O-N 3.12Å; L304-T308 PolarHBondContact O-OG1 3.03Å; L304-L326 HydrophobicContact CD1-CD2 4.41Å; L304-L326 HydrophobicContact CD2-CD1 4.18Å; L304-L326 HydrophobicContact CG-CD1 4.49Å; L304-L326 HydrophobicContact CG-CD2 4.43Å; L304-L330 HydrophobicContact CD2-CD1 4.22Å
305	L	87.3	Confident	79.5	Confident	3 Å²	3	60.5 Å²	60.5	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-68.7	-32.1	176.2	-64	-177	0	0	0	112.7	M297 H301 R302 T308 K309 Y327 A331	M297-L305 HydrophobicContact CE-CD1 3.57Å; M297-L305 HydrophobicContact SD-CD1 4.46Å; H301-L305 PolarHBondContact O-N 3.39Å; R302-L305 PolarHBondContact O-N 3.23Å; L305-T308 PolarHBondContact O-OG1 3.03Å; L305-K309 WeakPolarHBondContact O-CB 3.14Å; L305-K309 PolarHBondContact O-N 3.28Å; L305-Y327 HydrophobicContact CD2-CD1 4.28Å; L305-Y327 HydrophobicContact CD2-CD2 4.11Å; L305-Y327 HydrophobicContact CD2-CE1 4.28Å; L305-Y327 HydrophobicContact CD2-CE2 4.15Å; L305-Y327 HydrophobicContact CD2-CG 4.2Å; L305-Y327 PolarHBondContact O-OH 3.08Å; L305-A331 HydrophobicContact CD1-CB 3.75Å; L305-A331 HydrophobicContact CD2-CB 4.02Å
306	R	87.6	Confident	80.7	Confident	188 Å²	188	61.5 Å²	61.5	71%	0.709	31%	0.309	S	S	*	.	H	α-helix	trans	-64.9	-48.6	175.1	177.9	179.3	175.9	164.3	-0.5	111.4	R302 L303 K309	R302-R306 WeakPolarHBondContact O-CB 3.3Å; R302-R306 PolarHBondContact O-N 3.07Å; L303-R306 PolarHBondContact O-N 3.03Å; R306-K309 WeakPolarHBondContact O-CB 3.36Å; R306-K309 PolarHBondContact O-N 3.29Å
307	N	87.2	Confident	81.8	Confident	21 Å²	21	59.9 Å²	59.9	11%	0.112	29%	0.291	C	S	.	.	H	α-helix	trans	-80.6	-20.1	-172.5	-65.5	4.2	0	0	0	113.1	C230 N231 L303 P310	C230-N307 VanDerWaalsContact C-ND2 3.3Å; C230-N307 VanDerWaalsContact O-CB 3.29Å; C230-N307 WeakPolarHBondContact O-CB 3.44Å; C230-N307 PolarHBondContact O-ND2 3.04Å; N231-N307 PolarHBondContact OD1-ND2 2.67Å; L303-N307 PolarHBondContact O-N 3.48Å; N307-P310 VanDerWaalsContact O-CD 3.32Å; N307-P310 WeakPolarHBondContact O-CD 3.43Å
308	T	86.7	Confident	82.6	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-85.2	-15.9	170.4	53.1	0	0	0	0	113.2	L233 I245 L304 L305 P310 L311 L326	L233-T308 HydrophobicContact CD2-CG2 3.54Å; I245-T308 HydrophobicContact CG1-CG2 4.4Å; L304-T308 HydrophobicContact CD1-CG2 4.15Å; L304-T308 WeakPolarHBondContact O-CB 3.46Å; L304-T308 WeakPolarHBondContact O-CG2 3.43Å; L304-T308 PolarHBondContact O-N 3.47Å; L304-T308 VanDerWaalsContact O-N 3.12Å; L304-T308 PolarHBondContact O-OG1 3.03Å; L305-T308 PolarHBondContact O-OG1 3.03Å; T308-P310 VanDerWaalsContact C-CD 3.44Å; T308-L311 HydrophobicContact CG2-CD1 4.36Å; T308-L311 PolarHBondContact O-N 3.4Å; T308-L311 VanDerWaalsContact O-N 3.14Å; T308-L326 HydrophobicContact CG2-CD2 3.65Å
309	K	85.8	Confident	83.1	Confident	116 Å²	116	60.3 Å²	60.3	50%	0.504	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-38.8	177.6	-156.7	177.4	-178.9	169.5	0	114.7	L305 R306 R312 Y327	L305-K309 WeakPolarHBondContact O-CB 3.14Å; L305-K309 PolarHBondContact O-N 3.28Å; R306-K309 WeakPolarHBondContact O-CB 3.36Å; R306-K309 PolarHBondContact O-N 3.29Å; K309-R312 PolarHBondContact O-NH2 3.16Å; K309-Y327 WeakPolarHBondContact CA-OH 3.21Å
310	P	84.9	Confident	83.6	Confident	60 Å²	60	55.5 Å²	55.5	39%	0.39	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-36.6	176.8	-17.3	33.2	0	0	0	113.3	I234 N307 T308 R312 Q313	I234-P310 HydrophobicContact CD1-CG 4.22Å; N307-P310 VanDerWaalsContact O-CD 3.32Å; N307-P310 WeakPolarHBondContact O-CD 3.43Å; T308-P310 VanDerWaalsContact C-CD 3.44Å; P310-R312 PolarHBondContact O-N 3.11Å; P310-Q313 WeakPolarHBondContact O-CB 3.35Å; P310-Q313 PolarHBondContact O-N 3.18Å
311	L	83.3	Confident	83.9	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-59.5	-26.2	-172.6	-62	178.5	0	0	0	113.4	L233 I234 I245 T308 Q313 M314 V319 V323	L233-L311 HydrophobicContact CD2-CD1 3.79Å; L233-L311 HydrophobicContact CG-CD1 3.87Å; I234-L311 HydrophobicContact CG1-CD2 4.49Å; I245-L311 HydrophobicContact CD1-CD1 4.1Å; T308-L311 HydrophobicContact CG2-CD1 4.36Å; T308-L311 PolarHBondContact O-N 3.4Å; T308-L311 VanDerWaalsContact O-N 3.14Å; L311-Q313 PolarHBondContact O-N 3.33Å; L311-Q313 VanDerWaalsContact O-N 3.11Å; L311-M314 HydrophobicContact CD2-CE 3.92Å; L311-M314 HydrophobicContact CD2-CG 4.41Å; L311-M314 VanDerWaalsContact O-CB 3.24Å; L311-M314 WeakPolarHBondContact O-CB 3.13Å; L311-M314 VanDerWaalsContact O-CG 3.24Å; L311-M314 WeakPolarHBondContact O-CG 3.27Å; L311-M314 PolarHBondContact O-N 3.42Å; L311-V319 HydrophobicContact CB-CG1 4.05Å; L311-V323 HydrophobicContact CB-CG2 3.89Å
312	R	77.2	Confident	84.2	Confident	21 Å²	21	55.8 Å²	55.8	8%	0.079	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-53.9	-24.5	169.8	175.7	173.2	46.4	-116	-23	114.4	K309 P310 V323 V338 A342 R345	K309-R312 PolarHBondContact O-NH2 3.16Å; P310-R312 PolarHBondContact O-N 3.11Å; R312-V323 HydrophobicContact CB-CG1 4.33Å; R312-V338 VanDerWaalsContact CD-O 3.24Å; R312-V338 WeakPolarHBondContact CD-O 3.42Å; R312-V338 PolarHBondContact NE-O 2.95Å; R312-A342 HydrophobicContact CG-CB 3.26Å; R312-R345 PolarHBondContact O-NH2 3.07Å
313	Q	79.2	Confident	84.4	Confident	160 Å²	160	50.7 Å²	50.7	75%	0.748	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-82.9	-13.9	177.1	-64.4	-174.8	-10.7	0	0	113.5	P310 L311 R345	P310-Q313 WeakPolarHBondContact O-CB 3.35Å; P310-Q313 PolarHBondContact O-N 3.18Å; L311-Q313 PolarHBondContact O-N 3.33Å; L311-Q313 VanDerWaalsContact O-N 3.11Å; Q313-R345 PolarHBondContact O-NH2 2.97Å
314	M	74.6	Confident	84.6	Confident	74 Å²	74	49 Å²	49	37%	0.365	23%	0.234	S	C	.	.			trans	-58.9	147	-175.4	-67.9	-64.8	-176	0	0	113.3	L311 K316 V320 R345	L311-M314 HydrophobicContact CD2-CE 3.92Å; L311-M314 HydrophobicContact CD2-CG 4.41Å; L311-M314 VanDerWaalsContact O-CB 3.24Å; L311-M314 WeakPolarHBondContact O-CB 3.13Å; L311-M314 VanDerWaalsContact O-CG 3.24Å; L311-M314 WeakPolarHBondContact O-CG 3.27Å; L311-M314 PolarHBondContact O-N 3.42Å; M314-K316 VanDerWaalsContact C-N 3.28Å; M314-K316 PolarHBondContact O-N 2.79Å; M314-V320 WeakPolarHBondContact O-CG2 3.28Å; M314-R345 PolarHBondContact O-NH1 3.39Å; M314-R345 PolarHBondContact O-NH2 2.97Å
315	C	64.8	Low	84.6	Confident	114 Å²	114	49.7 Å²	49.7	77%	0.77	24%	0.238	S	C	*	.	S	Bend	trans	-70.4	-20.6	-179.5	-63	0	0	0	0	113.6
316	K	80.1	Confident	84.8	Confident	95 Å²	95	49.6 Å²	49.6	41%	0.413	24%	0.237	S	C	.	.			trans	-86.2	121.2	-177.8	-60.4	-64	177	62.2	0	111.9	E238 M314 Q318 V319 V320	E238-K316 HydrophobicContact CG-CG 4.47Å; E238-K316 WeakPolarHBondContact OE1-CG 3.27Å; E238-K316 IonicContact OE1-NZ 3.74Å; E238-K316 PolarHBondContact OE1-NZ 3.12Å; E238-K316 IonicContact OE2-NZ 3.69Å; E238-K316 PolarHBondContact OE2-NZ 2.7Å; M314-K316 VanDerWaalsContact C-N 3.28Å; M314-K316 PolarHBondContact O-N 2.79Å; K316-Q318 VanDerWaalsContact C-N 3.31Å; K316-Q318 PolarHBondContact O-N 3.04Å; K316-V319 PolarHBondContact O-N 2.51Å; K316-V320 PolarHBondContact O-N 3.07Å
317	F	83.9	Confident	84.8	Confident	95 Å²	95	40.9 Å²	40.9	42%	0.417	20%	0.204	S	C	.	.	H	α-helix	trans	-58.5	-38.2	-177.5	67.9	-87.9	0	0	0	113.4	V319 V320 M321 L346 V353	F317-V319 PolarHBondContact O-N 3.49Å; F317-V320 PolarHBondContact O-N 3.2Å; F317-M321 WeakPolarHBondContact O-CB 3.45Å; F317-M321 WeakPolarHBondContact O-CG 3.12Å; F317-M321 PolarHBondContact O-N 3.35Å; F317-L346 HydrophobicContact CB-CD1 3.99Å; F317-L346 HydrophobicContact CB-CD2 3.9Å; F317-V353 HydrophobicContact CB-CG1 3.56Å; F317-V353 HydrophobicContact CD1-CG1 4.33Å; F317-V353 HydrophobicContact CD1-CG2 3.72Å; F317-V353 HydrophobicContact CD2-CG1 4.27Å; F317-V353 HydrophobicContact CD2-CG2 4.31Å; F317-V353 HydrophobicContact CE1-CG2 3.96Å; F317-V353 HydrophobicContact CG-CG1 3.81Å; F317-V353 HydrophobicContact CG-CG2 3.93Å; F317-V353 HydrophobicContact CZ-CG2 4.36Å
318	Q	85.5	Confident	84.9	Confident	62 Å²	62	40.6 Å²	40.6	29%	0.29	20%	0.202	S	C	.	.	H	α-helix	trans	-62.8	-43.7	-175.3	-161.6	-168.3	9.5	0	0	112.6	V242 K316 M321 A322	V242-Q318 HydrophobicContact CG1-CG 4.22Å; V242-Q318 HydrophobicContact CG2-CB 4.22Å; V242-Q318 HydrophobicContact CG2-CG 3.75Å; K316-Q318 VanDerWaalsContact C-N 3.31Å; K316-Q318 PolarHBondContact O-N 3.04Å; Q318-M321 PolarHBondContact O-N 2.84Å; Q318-A322 PolarHBondContact O-N 3.27Å
319	V	88.6	Confident	84.9	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.006	21%	0.207	C	C	.	.	H	α-helix	trans	-63.5	-44.8	175.2	178.1	0	0	0	0	110.4	E238 Q241 V242 L311 K316 F317 M321 A322 V323	E238-V319 HydrophobicContact CB-CG2 4.33Å; Q241-V319 HydrophobicContact CB-CG2 4.41Å; V242-V319 HydrophobicContact CG2-CG2 4.05Å; L311-V319 HydrophobicContact CB-CG1 4.05Å; K316-V319 PolarHBondContact O-N 2.51Å; F317-V319 PolarHBondContact O-N 3.49Å; V319-M321 VanDerWaalsContact C-N 3.32Å; V319-M321 PolarHBondContact O-N 2.98Å; V319-A322 PolarHBondContact O-N 2.9Å; V319-V323 WeakPolarHBondContact O-CG2 3.38Å; V319-V323 PolarHBondContact O-N 3.17Å
320	V	90.1	Very high	84.9	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.012	18%	0.184	C	C	.	.	H	α-helix	trans	-64.3	-36.8	179.1	177.6	0	0	0	0	111.6	M314 K316 F317 V323 A324 A342 L346	M314-V320 WeakPolarHBondContact O-CG2 3.28Å; K316-V320 PolarHBondContact O-N 3.07Å; F317-V320 PolarHBondContact O-N 3.2Å; V320-V323 PolarHBondContact O-N 3.28Å; V320-A324 WeakPolarHBondContact O-CB 3.38Å; V320-A324 PolarHBondContact O-N 3.38Å; V320-A342 HydrophobicContact CG1-CB 4.12Å; V320-L346 HydrophobicContact CB-CD1 4.05Å; V320-L346 HydrophobicContact CG1-CD1 3.81Å; V320-L346 HydrophobicContact CG1-CG 4.32Å
321	M	89.9	Confident	84.8	Confident	14 Å²	14	33.4 Å²	33.4	7%	0.069	17%	0.165	C	C	.	.	H	α-helix	trans	-67.8	-43.2	174	-74.9	-54.2	-53.1	0	0	112.4	F317 Q318 V319 V323 A324 Q325 L343 L346 V357 N360	F317-M321 WeakPolarHBondContact O-CB 3.45Å; F317-M321 WeakPolarHBondContact O-CG 3.12Å; F317-M321 PolarHBondContact O-N 3.35Å; Q318-M321 PolarHBondContact O-N 2.84Å; V319-M321 VanDerWaalsContact C-N 3.32Å; V319-M321 PolarHBondContact O-N 2.98Å; M321-V323 VanDerWaalsContact C-N 3.32Å; M321-V323 PolarHBondContact O-N 3.26Å; M321-A324 WeakPolarHBondContact O-CB 3.33Å; M321-A324 PolarHBondContact O-N 3.1Å; M321-A324 VanDerWaalsContact O-N 3.13Å; M321-Q325 WeakPolarHBondContact O-CB 3.3Å; M321-Q325 PolarHBondContact O-N 3.41Å; M321-L343 HydrophobicContact SD-CD2 3.56Å; M321-L343 VanDerWaalsContact SD-CD2 3.56Å; M321-L346 HydrophobicContact SD-CD1 4.48Å; M321-V357 HydrophobicContact SD-CG2 3.87Å; M321-N360 HydrophobicContact CE-CB 3.7Å
322	A	90	Very high	84.8	Confident	2 Å²	2	34.9 Å²	34.9	2%	0.017	18%	0.175	C	C	.	.	H	α-helix	trans	-61.6	-40.5	174.7	0	0	0	0	0	111.6	V242 I245 Q318 V319 Q325 L326	V242-A322 HydrophobicContact CG1-CB 4.25Å; V242-A322 HydrophobicContact CG2-CB 4.33Å; I245-A322 HydrophobicContact CB-CB 4.22Å; I245-A322 HydrophobicContact CD1-CB 4.34Å; I245-A322 HydrophobicContact CG2-CB 3.85Å; I245-A322 WeakPolarHBondContact CG2-O 3.37Å; Q318-A322 PolarHBondContact O-N 3.27Å; V319-A322 PolarHBondContact O-N 2.9Å; A322-Q325 PolarHBondContact O-N 3.48Å; A322-L326 WeakPolarHBondContact O-CB 3.43Å; A322-L326 PolarHBondContact O-N 3.15Å
323	V	90.6	Very high	84.8	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.006	18%	0.181	C	C	.	.	H	α-helix	trans	-65.1	-37.9	172.8	174.6	0	0	0	0	111.7	I245 L311 R312 V319 V320 M321 Y327	I245-V323 HydrophobicContact CD1-CG2 3.88Å; L311-V323 HydrophobicContact CB-CG2 3.89Å; R312-V323 HydrophobicContact CB-CG1 4.33Å; V319-V323 WeakPolarHBondContact O-CG2 3.38Å; V319-V323 PolarHBondContact O-N 3.17Å; V320-V323 PolarHBondContact O-N 3.28Å; M321-V323 VanDerWaalsContact C-N 3.32Å; M321-V323 PolarHBondContact O-N 3.26Å; V323-Y327 HydrophobicContact CG1-CD2 3.88Å; V323-Y327 HydrophobicContact CG1-CE2 3.78Å; V323-Y327 VanDerWaalsContact O-CD2 3.31Å; V323-Y327 WeakPolarHBondContact O-CD2 3.23Å; V323-Y327 PolarHBondContact O-N 2.92Å; V323-Y327 VanDerWaalsContact O-N 3.11Å
324	A	90.5	Very high	84.9	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.7	-46.1	176.2	0	0	0	0	0	112.1	V320 M321 F328 I339 L343	V320-A324 WeakPolarHBondContact O-CB 3.38Å; V320-A324 PolarHBondContact O-N 3.38Å; M321-A324 WeakPolarHBondContact O-CB 3.33Å; M321-A324 PolarHBondContact O-N 3.1Å; M321-A324 VanDerWaalsContact O-N 3.13Å; A324-F328 WeakPolarHBondContact O-CB 3.36Å; A324-F328 PolarHBondContact O-N 3.42Å; A324-I339 HydrophobicContact CB-CG2 3.77Å; A324-L343 HydrophobicContact CB-CD1 4.26Å; A324-L343 HydrophobicContact CB-CD2 3.99Å; A324-L343 HydrophobicContact CB-CG 4.44Å
325	Q	89.6	Confident	85.1	Confident	15 Å²	15	31.8 Å²	31.8	7%	0.07	18%	0.176	C	C	.	.	H	α-helix	trans	-57.6	-49.4	173.3	171.5	-173.2	-18.2	0	0	111.8	N246 M321 A322 F328 H329 Q622 L623	N246-Q325 PolarHBondContact OD1-NE2 2.91Å; M321-Q325 WeakPolarHBondContact O-CB 3.3Å; M321-Q325 PolarHBondContact O-N 3.41Å; A322-Q325 PolarHBondContact O-N 3.48Å; Q325-F328 PolarHBondContact O-N 2.78Å; Q325-H329 PolarHBondContact O-CD2 3.32Å; Q325-H329 PolarHBondContact O-N 2.83Å; Q325-H329 VanDerWaalsContact O-N 3.1Å; Q325-Q622 HydrophobicContact CG-CG 4.29Å; Q325-L623 VanDerWaalsContact CD-O 3.23Å; Q325-L623 VanDerWaalsContact CG-O 3.25Å; Q325-L623 WeakPolarHBondContact CG-O 3.49Å; Q325-L623 PolarHBondContact OE1-O 3.36Å
326	L	90.3	Very high	85.9	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-53.8	-56.2	176.8	179.5	78.4	0	0	0	111.8	I245 T249 L304 T308 A322 H329 L330	I245-L326 HydrophobicContact CG2-CB 3.91Å; I245-L326 HydrophobicContact CG2-CD1 4.29Å; I245-L326 HydrophobicContact CG2-CD2 4.26Å; I245-L326 HydrophobicContact CG2-CG 4.39Å; T249-L326 HydrophobicContact CG2-CD1 4.46Å; T249-L326 WeakPolarHBondContact OG1-CD1 2.88Å; L304-L326 HydrophobicContact CD1-CD2 4.41Å; L304-L326 HydrophobicContact CD2-CD1 4.18Å; L304-L326 HydrophobicContact CG-CD1 4.49Å; L304-L326 HydrophobicContact CG-CD2 4.43Å; T308-L326 HydrophobicContact CG2-CD2 3.65Å; A322-L326 WeakPolarHBondContact O-CB 3.43Å; A322-L326 PolarHBondContact O-N 3.15Å; L326-H329 PolarHBondContact O-N 2.91Å; L326-L330 HydrophobicContact CD1-CD1 3.41Å; L326-L330 VanDerWaalsContact CD1-CD1 3.41Å; L326-L330 HydrophobicContact CD1-CG 4.41Å; L326-L330 HydrophobicContact CG-CD1 4.09Å; L326-L330 VanDerWaalsContact O-CB 3.24Å; L326-L330 WeakPolarHBondContact O-CB 3.42Å; L326-L330 WeakPolarHBondContact O-CG 3.36Å; L326-L330 PolarHBondContact O-N 3.23Å
327	Y	88.9	Confident	86	Confident	5 Å²	5	23.6 Å²	23.6	2%	0.02	14%	0.137	C	C	.	.	H	α-helix	trans	-67.5	-37.9	-178.6	-86.8	-112	0	0	0	112.5	L305 K309 V323 H329 L330 A331 V336 I339	L305-Y327 HydrophobicContact CD2-CD1 4.28Å; L305-Y327 HydrophobicContact CD2-CD2 4.11Å; L305-Y327 HydrophobicContact CD2-CE1 4.28Å; L305-Y327 HydrophobicContact CD2-CE2 4.15Å; L305-Y327 HydrophobicContact CD2-CG 4.2Å; L305-Y327 PolarHBondContact O-OH 3.08Å; K309-Y327 WeakPolarHBondContact CA-OH 3.21Å; V323-Y327 HydrophobicContact CG1-CD2 3.88Å; V323-Y327 HydrophobicContact CG1-CE2 3.78Å; V323-Y327 VanDerWaalsContact O-CD2 3.31Å; V323-Y327 WeakPolarHBondContact O-CD2 3.23Å; V323-Y327 PolarHBondContact O-N 2.92Å; V323-Y327 VanDerWaalsContact O-N 3.11Å; Y327-H329 VanDerWaalsContact C-N 3.27Å; Y327-H329 PolarHBondContact O-N 3.09Å; Y327-L330 PolarHBondContact O-N 3.26Å; Y327-A331 HydrophobicContact CD1-CB 3.63Å; Y327-A331 HydrophobicContact CE1-CB 4.47Å; Y327-A331 HydrophobicContact CG-CB 4.04Å; Y327-A331 WeakPolarHBondContact O-CB 3.44Å; Y327-A331 PolarHBondContact O-N 2.96Å; Y327-V336 WeakPolarHBondContact O-CG2 3.48Å; Y327-I339 HydrophobicContact CD1-CD1 3.74Å; Y327-I339 HydrophobicContact CD2-CD1 3.78Å; Y327-I339 HydrophobicContact CE1-CD1 4.5Å; Y327-I339 HydrophobicContact CE2-CD1 4.49Å; Y327-I339 HydrophobicContact CG-CD1 3.32Å
328	F	87.9	Confident	86	Confident	16 Å²	16	22.6 Å²	22.6	7%	0.07	14%	0.139	C	C	.	.	H	α-helix	trans	-61.3	-37.4	178.4	-178.1	-103.7	0	0	0	112	A324 Q325 M364 K367 L623	A324-F328 WeakPolarHBondContact O-CB 3.36Å; A324-F328 PolarHBondContact O-N 3.42Å; Q325-F328 PolarHBondContact O-N 2.78Å; F328-M364 HydrophobicContact CB-CE 4.3Å; F328-M364 HydrophobicContact CD2-CE 3.79Å; F328-M364 HydrophobicContact CD2-CG 3.92Å; F328-M364 HydrophobicContact CE2-CB 4.11Å; F328-M364 HydrophobicContact CE2-CG 3.81Å; F328-M364 HydrophobicContact CG-CE 4.35Å; F328-M364 HydrophobicContact CZ-CG 4.37Å; F328-K367 HydrophobicContact CZ-CD 4.04Å; F328-K367 HydrophobicContact CZ-CG 4.46Å; F328-L623 HydrophobicContact CB-CD2 3.98Å; F328-L623 HydrophobicContact CD1-CB 4.22Å; F328-L623 HydrophobicContact CD1-CD2 3.86Å; F328-L623 HydrophobicContact CE1-CD2 4.45Å; F328-L623 HydrophobicContact CG-CD2 3.89Å
329	H	87	Confident	86.1	Confident	24 Å²	24	19.7 Å²	19.7	11%	0.111	13%	0.125	C	C	.	.	H	α-helix	trans	-90.3	-19.9	-179.2	-71.4	-63.7	0	0	0	115.1	T249 R253 Q325 L326 Y327 Q622 L623 L640 W643	T249-H329 HydrophobicContact CG2-CB 4.43Å; R253-H329 PolarHBondContact NE-O 2.83Å; R253-H329 PolarHBondContact NH2-O 3.21Å; Q325-H329 PolarHBondContact O-CD2 3.32Å; Q325-H329 PolarHBondContact O-N 2.83Å; Q325-H329 VanDerWaalsContact O-N 3.1Å; L326-H329 PolarHBondContact O-N 2.91Å; Y327-H329 VanDerWaalsContact C-N 3.27Å; Y327-H329 PolarHBondContact O-N 3.09Å; H329-Q622 VanDerWaalsContact NE2-C 3.34Å; H329-Q622 WeakPolarHBondContact NE2-CA 3.35Å; H329-L623 WeakPolarHBondContact NE2-CA 3.45Å; H329-L623 WeakPolarHBondContact NE2-CB 3.21Å; H329-L623 PolarHBondContact NE2-N 3.1Å; H329-L640 HydrophobicContact CB-CD1 4.22Å; H329-W643 WeakPolarHBondContact O-CZ2 3.16Å
330	L	85.6	Confident	86.2	Confident	1 Å²	1	19.7 Å²	19.7	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-121.2	-34.5	-174.1	-60.4	-177.5	0	0	0	116.5	T249 A252 R253 P259 L304 L326 Y327 W643	T249-L330 HydrophobicContact CG2-CG 4.42Å; A252-L330 HydrophobicContact CB-CD1 3.43Å; A252-L330 VanDerWaalsContact CB-CD1 3.43Å; A252-L330 HydrophobicContact CB-CD2 3.7Å; A252-L330 HydrophobicContact CB-CG 4.23Å; R253-L330 HydrophobicContact CG-CD2 3.93Å; P259-L330 WeakPolarHBondContact CG-O 3.5Å; L304-L330 HydrophobicContact CD2-CD1 4.22Å; L326-L330 HydrophobicContact CD1-CD1 3.41Å; L326-L330 VanDerWaalsContact CD1-CD1 3.41Å; L326-L330 HydrophobicContact CD1-CG 4.41Å; L326-L330 HydrophobicContact CG-CD1 4.09Å; L326-L330 VanDerWaalsContact O-CB 3.24Å; L326-L330 WeakPolarHBondContact O-CB 3.42Å; L326-L330 WeakPolarHBondContact O-CG 3.36Å; L326-L330 PolarHBondContact O-N 3.23Å; Y327-L330 PolarHBondContact O-N 3.26Å; L330-W643 HydrophobicContact CB-CH2 4.41Å; L330-W643 HydrophobicContact CD2-CH2 3.6Å; L330-W643 HydrophobicContact CD2-CZ2 4.27Å; L330-W643 HydrophobicContact CD2-CZ3 4.08Å
331	A	84.2	Confident	86.1	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-83.1	152.4	-165.4	0	0	0	0	0	112.8	L305 Y327 V336	L305-A331 HydrophobicContact CD1-CB 3.75Å; L305-A331 HydrophobicContact CD2-CB 4.02Å; Y327-A331 HydrophobicContact CD1-CB 3.63Å; Y327-A331 HydrophobicContact CE1-CB 4.47Å; Y327-A331 HydrophobicContact CG-CB 4.04Å; Y327-A331 WeakPolarHBondContact O-CB 3.44Å; Y327-A331 PolarHBondContact O-N 2.96Å; A331-V336 HydrophobicContact CB-CG2 4.01Å
332	P	82.8	Confident	86.1	Confident	31 Å²	31	26.5 Å²	26.5	20%	0.201	16%	0.155	C	C	.	.			trans	-55.9	146.5	175.1	-21.9	31.9	0	0	0	111.7	P259 N260 M297 A334 E335	P259-P332 HydrophobicContact CB-CG 4.17Å; P259-P332 HydrophobicContact CG-CG 4.39Å; N260-P332 WeakPolarHBondContact OD1-CA 3.31Å; M297-P332 HydrophobicContact CE-CG 4.39Å; M297-P332 HydrophobicContact SD-CG 4.2Å; P332-A334 VanDerWaalsContact C-N 3.27Å; P332-A334 PolarHBondContact O-N 3.42Å; P332-A334 VanDerWaalsContact O-N 3.11Å; P332-E335 PolarHBondContact O-N 3.17Å
333	K	77.4	Confident	86.1	Confident	47 Å²	47	26.4 Å²	26.4	20%	0.204	16%	0.155	C	C	.	.	H	α-helix	trans	-46.3	-48.1	-175.1	-70.8	-172.1	-160.5	161.1	0	113.6	N260 E263 E267 E335 V336	N260-K333 PolarHBondContact OD1-N 2.95Å; E263-K333 HydrophobicContact CG-CD 4.38Å; E263-K333 WeakPolarHBondContact OE2-CD 3.5Å; E263-K333 WeakPolarHBondContact OE2-CE 3.1Å; E263-K333 VanDerWaalsContact OE2-CG 3.27Å; E263-K333 WeakPolarHBondContact OE2-CG 3.35Å; E263-K333 IonicContact OE2-NZ 4Å; E267-K333 IonicContact OE1-NZ 3.34Å; E267-K333 PolarHBondContact OE1-NZ 3.32Å; E267-K333 IonicContact OE2-NZ 3.47Å; E267-K333 PolarHBondContact OE2-NZ 3.28Å; K333-E335 VanDerWaalsContact C-N 3.3Å; K333-E335 PolarHBondContact O-N 2.89Å; K333-V336 PolarHBondContact O-N 3.06Å
334	A	79.8	Confident	86.1	Confident	94 Å²	94	26.9 Å²	26.9	78%	0.777	16%	0.158	S	C	*	.	H	α-helix	trans	-57.5	-32.1	-179.7	0	0	0	0	0	115	P332	P332-A334 VanDerWaalsContact C-N 3.27Å; P332-A334 PolarHBondContact O-N 3.42Å; P332-A334 VanDerWaalsContact O-N 3.11Å
335	E	79.3	Confident	86.1	Confident	49 Å²	49	30.6 Å²	30.6	23%	0.229	17%	0.172	C	C	.	.	H	α-helix	trans	-90.3	-14.3	-174	-67.6	-158.8	155	0	0	114.6	R302 P332 K333 G337 V338	R302-E335 IonicContact CZ-OE1 3.75Å; R302-E335 IonicContact CZ-OE2 2.67Å; R302-E335 IonicContact NH1-OE1 2.78Å; R302-E335 PolarHBondContact NH1-OE1 3.39Å; R302-E335 IonicContact NH1-OE2 3.2Å; R302-E335 PolarHBondContact NH1-OE2 3.22Å; R302-E335 IonicContact NH2-OE1 3.23Å; R302-E335 PolarHBondContact NH2-OE1 2.88Å; R302-E335 IonicContact NH2-OE2 2.67Å; P332-E335 PolarHBondContact O-N 3.17Å; K333-E335 VanDerWaalsContact C-N 3.3Å; K333-E335 PolarHBondContact O-N 2.89Å; E335-G337 VanDerWaalsContact C-N 3.3Å; E335-G337 PolarHBondContact O-N 3.16Å; E335-V338 WeakPolarHBondContact O-CB 3.46Å; E335-V338 WeakPolarHBondContact O-CG2 3.44Å; E335-V338 PolarHBondContact O-N 3.43Å
336	V	82	Confident	86.2	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-71.3	-27.7	-178.6	-170.9	0	0	0	0	111.7	Y327 A331 K333 V338 I339 M371	Y327-V336 WeakPolarHBondContact O-CG2 3.48Å; A331-V336 HydrophobicContact CB-CG2 4.01Å; K333-V336 PolarHBondContact O-N 3.06Å; V336-V338 PolarHBondContact O-N 3.1Å; V336-V338 VanDerWaalsContact O-N 3.07Å; V336-I339 WeakPolarHBondContact O-CB 3.42Å; V336-I339 PolarHBondContact O-N 3.09Å; V336-M371 HydrophobicContact CB-CE 4.14Å; V336-M371 HydrophobicContact CG1-CE 3.5Å; V336-M371 HydrophobicContact CG1-SD 4.24Å
337	G	82.1	Confident	86.1	Confident	37 Å²	37	30.5 Å²	30.5	38%	0.381	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-54.3	-28.2	174.6	0	0	0	0	0	114.4	E335 I339 A340	E335-G337 VanDerWaalsContact C-N 3.3Å; E335-G337 PolarHBondContact O-N 3.16Å; G337-I339 PolarHBondContact O-N 3.22Å; G337-A340 WeakPolarHBondContact O-CB 3.24Å; G337-A340 PolarHBondContact O-N 3.45Å; G337-A340 VanDerWaalsContact O-N 3.15Å
338	V	84.1	Confident	86.1	Confident	74 Å²	74	40.3 Å²	40.3	45%	0.448	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-63.7	-14.8	179.5	-167.7	0	0	0	0	112.5	R312 E335 V336	R312-V338 VanDerWaalsContact CD-O 3.24Å; R312-V338 WeakPolarHBondContact CD-O 3.42Å; R312-V338 PolarHBondContact NE-O 2.95Å; E335-V338 WeakPolarHBondContact O-CB 3.46Å; E335-V338 WeakPolarHBondContact O-CG2 3.44Å; E335-V338 PolarHBondContact O-N 3.43Å; V336-V338 PolarHBondContact O-N 3.1Å; V336-V338 VanDerWaalsContact O-N 3.07Å
339	I	88.2	Confident	86.2	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-86.3	-25.1	177.8	-75.8	153.3	0	0	0	114	A324 Y327 V336 G337 K341 A342 L343	A324-I339 HydrophobicContact CB-CG2 3.77Å; Y327-I339 HydrophobicContact CD1-CD1 3.74Å; Y327-I339 HydrophobicContact CD2-CD1 3.78Å; Y327-I339 HydrophobicContact CE1-CD1 4.5Å; Y327-I339 HydrophobicContact CE2-CD1 4.49Å; Y327-I339 HydrophobicContact CG-CD1 3.32Å; V336-I339 WeakPolarHBondContact O-CB 3.42Å; V336-I339 PolarHBondContact O-N 3.09Å; G337-I339 PolarHBondContact O-N 3.22Å; I339-K341 VanDerWaalsContact C-N 3.3Å; I339-K341 PolarHBondContact O-N 3.24Å; I339-A342 WeakPolarHBondContact O-CA 3.47Å; I339-A342 WeakPolarHBondContact O-CB 3.17Å; I339-A342 PolarHBondContact O-N 3.15Å; I339-L343 HydrophobicContact CG2-CD1 3.62Å; I339-L343 HydrophobicContact CG2-CG 3.75Å; I339-L343 PolarHBondContact O-N 2.87Å; I339-L343 VanDerWaalsContact O-N 3.12Å
340	A	89.1	Confident	86.3	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.008	25%	0.247	C	C	.	.	H	α-helix	trans	-52.3	-47.4	-174.7	0	0	0	0	0	112.4	G337 A342 L343 V344 M371 F372 Y375	G337-A340 WeakPolarHBondContact O-CB 3.24Å; G337-A340 PolarHBondContact O-N 3.45Å; G337-A340 VanDerWaalsContact O-N 3.15Å; A340-A342 PolarHBondContact O-N 3.35Å; A340-A342 VanDerWaalsContact O-N 3.13Å; A340-L343 PolarHBondContact O-N 2.7Å; A340-V344 WeakPolarHBondContact O-CB 3.49Å; A340-V344 VanDerWaalsContact O-CG2 3.27Å; A340-V344 WeakPolarHBondContact O-CG2 3.31Å; A340-V344 PolarHBondContact O-N 3.41Å; A340-M371 HydrophobicContact CB-CG 3.97Å; A340-M371 WeakPolarHBondContact CB-O 3.46Å; A340-F372 HydrophobicContact CB-CD1 3.9Å; A340-F372 HydrophobicContact CB-CE1 3.89Å; A340-Y375 HydrophobicContact CB-CD2 3.89Å; A340-Y375 HydrophobicContact CB-CE2 3.75Å
341	K	89.3	Confident	86.6	Confident	152 Å²	152	49.7 Å²	49.7	66%	0.661	26%	0.262	S	S	*	.	H	α-helix	trans	-54.9	-31.4	176.3	-169.1	171	-178.5	172.4	0	114	I339 R345 Y375	I339-K341 VanDerWaalsContact C-N 3.3Å; I339-K341 PolarHBondContact O-N 3.24Å; K341-R345 PolarHBondContact O-N 3.41Å; K341-Y375 HydrophobicContact CB-CE2 4.34Å
342	A	89.4	Confident	86.9	Confident	6 Å²	6	55.4 Å²	55.4	5%	0.05	29%	0.289	C	S	.	.	H	α-helix	trans	-87.7	-36.7	-178.1	0	0	0	0	0	113.1	R312 V320 I339 A340 V344 R345 L346	R312-A342 HydrophobicContact CG-CB 3.26Å; V320-A342 HydrophobicContact CG1-CB 4.12Å; I339-A342 WeakPolarHBondContact O-CA 3.47Å; I339-A342 WeakPolarHBondContact O-CB 3.17Å; I339-A342 PolarHBondContact O-N 3.15Å; A340-A342 PolarHBondContact O-N 3.35Å; A340-A342 VanDerWaalsContact O-N 3.13Å; A342-V344 VanDerWaalsContact C-N 3.35Å; A342-R345 WeakPolarHBondContact O-CB 3.23Å; A342-R345 PolarHBondContact O-N 2.93Å; A342-L346 PolarHBondContact O-N 3.02Å
343	L	90.7	Very high	87.3	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.3	-43.5	170.2	-66.4	172.7	0	0	0	110.3	M321 A324 I339 A340 R345 L346 L347 V357 V361 M364 F372	M321-L343 HydrophobicContact SD-CD2 3.56Å; M321-L343 VanDerWaalsContact SD-CD2 3.56Å; A324-L343 HydrophobicContact CB-CD1 4.26Å; A324-L343 HydrophobicContact CB-CD2 3.99Å; A324-L343 HydrophobicContact CB-CG 4.44Å; I339-L343 HydrophobicContact CG2-CD1 3.62Å; I339-L343 HydrophobicContact CG2-CG 3.75Å; I339-L343 PolarHBondContact O-N 2.87Å; I339-L343 VanDerWaalsContact O-N 3.12Å; A340-L343 PolarHBondContact O-N 2.7Å; L343-R345 VanDerWaalsContact C-N 3.26Å; L343-R345 PolarHBondContact O-N 2.99Å; L343-L346 WeakPolarHBondContact O-CB 3.22Å; L343-L346 PolarHBondContact O-N 2.96Å; L343-L347 PolarHBondContact O-N 3.01Å; L343-V357 HydrophobicContact CB-CG1 4.22Å; L343-V357 HydrophobicContact CD2-CG1 4.25Å; L343-V361 HydrophobicContact CB-CG2 4.19Å; L343-V361 HydrophobicContact CD1-CG2 4.11Å; L343-M364 HydrophobicContact CD1-CE 4.15Å; L343-M364 HydrophobicContact CD1-SD 3.72Å; L343-F372 HydrophobicContact CB-CE1 4.28Å; L343-F372 HydrophobicContact CD1-CE1 4.25Å; L343-F372 HydrophobicContact CD1-CZ 3.85Å
344	V	91	Very high	88	Confident	11 Å²	11	53.4 Å²	53.4	7%	0.067	28%	0.279	C	S	.	.	H	α-helix	trans	-60.3	-32.9	173.2	171.2	0	0	0	0	112.4	A340 A342 L347 F372 Y375 F379	A340-V344 WeakPolarHBondContact O-CB 3.49Å; A340-V344 VanDerWaalsContact O-CG2 3.27Å; A340-V344 WeakPolarHBondContact O-CG2 3.31Å; A340-V344 PolarHBondContact O-N 3.41Å; A342-V344 VanDerWaalsContact C-N 3.35Å; V344-L347 WeakPolarHBondContact O-CB 3.48Å; V344-L347 PolarHBondContact O-N 2.99Å; V344-F372 HydrophobicContact CG2-CD1 4.26Å; V344-Y375 HydrophobicContact CG1-CD1 4.43Å; V344-Y375 HydrophobicContact CG1-CG 4.5Å; V344-Y375 HydrophobicContact CG2-CD2 4.24Å; V344-Y375 HydrophobicContact CG2-CG 3.98Å; V344-F379 HydrophobicContact CG2-CE2 4.11Å; V344-F379 HydrophobicContact CG2-CZ 3.84Å
345	R	90.5	Very high	88.6	Confident	78 Å²	78	53.1 Å²	53.1	29%	0.294	26%	0.258	S	S	.	.	H	α-helix	trans	-64.3	-37.8	171.8	174.7	179.7	62.1	89.8	-6.4	112.5	R312 Q313 M314 K341 A342 L343 L347 R348	R312-R345 PolarHBondContact O-NH2 3.07Å; Q313-R345 PolarHBondContact O-NH2 2.97Å; M314-R345 PolarHBondContact O-NH1 3.39Å; M314-R345 PolarHBondContact O-NH2 2.97Å; K341-R345 PolarHBondContact O-N 3.41Å; A342-R345 WeakPolarHBondContact O-CB 3.23Å; A342-R345 PolarHBondContact O-N 2.93Å; L343-R345 VanDerWaalsContact C-N 3.26Å; L343-R345 PolarHBondContact O-N 2.99Å; R345-L347 PolarHBondContact O-N 3.33Å; R345-R348 PolarHBondContact O-N 2.94Å
346	L	89.9	Confident	89.2	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-69.6	-18.6	177.3	-60.4	-179.9	0	0	0	113.2	F317 V320 M321 A342 L343 R348 S349 V353 V357	F317-L346 HydrophobicContact CB-CD1 3.99Å; F317-L346 HydrophobicContact CB-CD2 3.9Å; V320-L346 HydrophobicContact CB-CD1 4.05Å; V320-L346 HydrophobicContact CG1-CD1 3.81Å; V320-L346 HydrophobicContact CG1-CG 4.32Å; M321-L346 HydrophobicContact SD-CD1 4.48Å; A342-L346 PolarHBondContact O-N 3.02Å; L343-L346 WeakPolarHBondContact O-CB 3.22Å; L343-L346 PolarHBondContact O-N 2.96Å; L346-R348 PolarHBondContact O-N 2.79Å; L346-S349 VanDerWaalsContact O-CB 3.32Å; L346-S349 WeakPolarHBondContact O-CB 3.16Å; L346-S349 PolarHBondContact O-N 3.49Å; L346-S349 PolarHBondContact O-OG 3.15Å; L346-V353 HydrophobicContact CB-CG1 4.39Å; L346-V357 HydrophobicContact CB-CG1 4.35Å; L346-V357 HydrophobicContact CB-CG2 3.81Å; L346-V357 HydrophobicContact CD1-CG2 3.66Å; L346-V357 HydrophobicContact CG-CG2 4.42Å
347	L	89.6	Confident	89.7	Confident	12 Å²	12	53.3 Å²	53.3	6%	0.063	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-3.6	173.1	-55.3	-178.3	0	0	0	113.8	L343 V344 R345 V357 L358 F379	L343-L347 PolarHBondContact O-N 3.01Å; V344-L347 WeakPolarHBondContact O-CB 3.48Å; V344-L347 PolarHBondContact O-N 2.99Å; R345-L347 PolarHBondContact O-N 3.33Å; L347-V357 HydrophobicContact CD2-CB 4.27Å; L347-V357 HydrophobicContact CD2-CG1 3.76Å; L347-L358 HydrophobicContact CD1-CD2 4.16Å; L347-L358 HydrophobicContact CD2-CD1 4.39Å; L347-L358 HydrophobicContact CD2-CD2 3.66Å; L347-L358 HydrophobicContact CD2-CG 3.62Å; L347-F379 HydrophobicContact CD1-CD1 3.97Å; L347-F379 HydrophobicContact CD1-CE1 3.55Å; L347-F379 HydrophobicContact CD1-CZ 4.15Å
348	R	89.2	Confident	90.2	Very high	210 Å²	210	51.5 Å²	51.5	79%	0.792	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-0.3	173.4	-56.8	179.7	-176.9	169.5	-0.3	113.3	R345 L346	R345-R348 PolarHBondContact O-N 2.94Å; L346-R348 PolarHBondContact O-N 2.79Å
349	S	88.7	Confident	90.6	Very high	45 Å²	45	48.2 Å²	48.2	32%	0.315	22%	0.224	S	C	.	.	S	Bend	trans	-84.4	-175.2	175.4	-59.9	0	0	0	0	111.9	L346 Q354	L346-S349 VanDerWaalsContact O-CB 3.32Å; L346-S349 WeakPolarHBondContact O-CB 3.16Å; L346-S349 PolarHBondContact O-N 3.49Å; L346-S349 PolarHBondContact O-OG 3.15Å; S349-Q354 PolarHBondContact O-NE2 3.36Å
350	H	89.6	Confident	90.7	Very high	147 Å²	147	48.2 Å²	48.2	68%	0.681	22%	0.224	S	C	*	.			trans	-59.1	158.1	176.9	-58.1	-86.9	0	0	0	113.1	E352 V353 Q354	H350-E352 VanDerWaalsContact CB-OE2 3.23Å; H350-E352 WeakPolarHBondContact CB-OE2 3.44Å; H350-E352 PolarHBondContact O-N 3.1Å; H350-E352 VanDerWaalsContact O-N 3.16Å; H350-V353 WeakPolarHBondContact O-CB 3.38Å; H350-V353 PolarHBondContact O-N 3Å; H350-Q354 PolarHBondContact O-N 3.49Å
351	S	90.8	Very high	90.9	Very high	46 Å²	46	48.2 Å²	48.2	32%	0.322	22%	0.224	S	C	.	.	H	α-helix	trans	-51.4	-38	-174.9	18.5	0	0	0	0	113.9	V353 Q354 Y355 I389	S351-V353 VanDerWaalsContact C-N 3.35Å; S351-V353 PolarHBondContact O-N 3.45Å; S351-Q354 PolarHBondContact O-N 2.91Å; S351-Y355 WeakPolarHBondContact O-CB 3.47Å; S351-Y355 PolarHBondContact O-N 3.08Å; S351-I389 WeakPolarHBondContact O-CD1 3.3Å
352	E	91.5	Very high	90.9	Very high	120 Å²	120	41 Å²	41	56%	0.561	19%	0.193	S	C	*	.	H	α-helix	trans	-70.7	-37.5	-175.6	-51.2	64.6	-126.6	0	0	110	H350 V356	H350-E352 VanDerWaalsContact CB-OE2 3.23Å; H350-E352 WeakPolarHBondContact CB-OE2 3.44Å; H350-E352 PolarHBondContact O-N 3.1Å; H350-E352 VanDerWaalsContact O-N 3.16Å; E352-V356 WeakPolarHBondContact O-CG2 3.38Å; E352-V356 PolarHBondContact O-N 3.47Å
353	V	90.9	Very high	90.9	Very high	16 Å²	16	40.8 Å²	40.8	10%	0.097	19%	0.191	C	C	.	.	H	α-helix	trans	-70.5	-43.5	172.8	-179.3	0	0	0	0	110.4	F317 L346 H350 S351 Y355 V356 V357	F317-V353 HydrophobicContact CB-CG1 3.56Å; F317-V353 HydrophobicContact CD1-CG1 4.33Å; F317-V353 HydrophobicContact CD1-CG2 3.72Å; F317-V353 HydrophobicContact CD2-CG1 4.27Å; F317-V353 HydrophobicContact CD2-CG2 4.31Å; F317-V353 HydrophobicContact CE1-CG2 3.96Å; F317-V353 HydrophobicContact CG-CG1 3.81Å; F317-V353 HydrophobicContact CG-CG2 3.93Å; F317-V353 HydrophobicContact CZ-CG2 4.36Å; L346-V353 HydrophobicContact CB-CG1 4.39Å; H350-V353 WeakPolarHBondContact O-CB 3.38Å; H350-V353 PolarHBondContact O-N 3Å; S351-V353 VanDerWaalsContact C-N 3.35Å; S351-V353 PolarHBondContact O-N 3.45Å; V353-Y355 VanDerWaalsContact C-N 3.33Å; V353-Y355 PolarHBondContact O-N 3.17Å; V353-V356 PolarHBondContact O-N 3.37Å; V353-V357 HydrophobicContact CG1-CG2 4.13Å; V353-V357 WeakPolarHBondContact O-CB 3.43Å; V353-V357 WeakPolarHBondContact O-CG2 3.44Å; V353-V357 PolarHBondContact O-N 2.96Å
354	Q	92.3	Very high	90.8	Very high	20 Å²	20	40.8 Å²	40.8	9%	0.093	19%	0.191	C	C	.	.	H	α-helix	trans	-58	-45.8	176.1	-66.8	-176.9	45.5	0	0	111.4	S349 H350 S351 V357 L358 I389	S349-Q354 PolarHBondContact O-NE2 3.36Å; H350-Q354 PolarHBondContact O-N 3.49Å; S351-Q354 PolarHBondContact O-N 2.91Å; Q354-V357 PolarHBondContact O-N 3.38Å; Q354-L358 VanDerWaalsContact O-CB 3.29Å; Q354-L358 WeakPolarHBondContact O-CB 3.39Å; Q354-L358 VanDerWaalsContact O-CG 3.23Å; Q354-L358 WeakPolarHBondContact O-CG 3.49Å; Q354-L358 PolarHBondContact O-N 3.3Å; Q354-I389 HydrophobicContact CB-CD1 3.91Å; Q354-I389 HydrophobicContact CB-CG1 4.49Å
355	Y	92.7	Very high	90.8	Very high	89 Å²	89	40.3 Å²	40.3	35%	0.349	19%	0.188	S	C	.	.	H	α-helix	trans	-58.4	-54.6	178.6	177.9	-100.6	0	0	0	111.9	S351 V353 V357 L358 Q359 Q388 L392 L629	S351-Y355 WeakPolarHBondContact O-CB 3.47Å; S351-Y355 PolarHBondContact O-N 3.08Å; V353-Y355 VanDerWaalsContact C-N 3.33Å; V353-Y355 PolarHBondContact O-N 3.17Å; Y355-V357 VanDerWaalsContact C-N 3.33Å; Y355-V357 PolarHBondContact O-N 2.86Å; Y355-L358 PolarHBondContact O-N 3.02Å; Y355-Q359 VanDerWaalsContact CZ-OE1 3.28Å; Y355-Q359 VanDerWaalsContact O-CB 3.27Å; Y355-Q359 WeakPolarHBondContact O-CB 3.42Å; Y355-Q359 PolarHBondContact O-N 2.87Å; Y355-Q359 PolarHBondContact OH-OE1 2.86Å; Y355-Q388 HydrophobicContact CD2-CB 4.15Å; Y355-Q388 HydrophobicContact CE2-CB 4.08Å; Y355-L392 HydrophobicContact CD2-CD1 3.42Å; Y355-L392 VanDerWaalsContact CD2-CD1 3.42Å; Y355-L392 HydrophobicContact CE2-CD1 3.7Å; Y355-L392 HydrophobicContact CG-CD1 4.19Å; Y355-L629 HydrophobicContact CE1-CD1 4.25Å
356	V	92	Very high	90.6	Very high	51 Å²	51	38.6 Å²	38.6	31%	0.309	18%	0.184	S	C	.	.	H	α-helix	trans	-62	-40.1	179.3	174.8	0	0	0	0	111.6	E352 V353 N360 L629	E352-V356 WeakPolarHBondContact O-CG2 3.38Å; E352-V356 PolarHBondContact O-N 3.47Å; V353-V356 PolarHBondContact O-N 3.37Å; V356-N360 PolarHBondContact O-N 2.91Å; V356-N360 PolarHBondContact O-ND2 3.2Å; V356-L629 HydrophobicContact CG2-CD1 4.38Å
357	V	92.6	Very high	90.2	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	21%	0.205	C	C	.	.	H	α-helix	trans	-66.7	-49.8	178.2	171.6	0	0	0	0	111.2	M321 L343 L346 L347 V353 Q354 Y355 Q359 N360 V361	M321-V357 HydrophobicContact SD-CG2 3.87Å; L343-V357 HydrophobicContact CB-CG1 4.22Å; L343-V357 HydrophobicContact CD2-CG1 4.25Å; L346-V357 HydrophobicContact CB-CG1 4.35Å; L346-V357 HydrophobicContact CB-CG2 3.81Å; L346-V357 HydrophobicContact CD1-CG2 3.66Å; L346-V357 HydrophobicContact CG-CG2 4.42Å; L347-V357 HydrophobicContact CD2-CB 4.27Å; L347-V357 HydrophobicContact CD2-CG1 3.76Å; V353-V357 HydrophobicContact CG1-CG2 4.13Å; V353-V357 WeakPolarHBondContact O-CB 3.43Å; V353-V357 WeakPolarHBondContact O-CG2 3.44Å; V353-V357 PolarHBondContact O-N 2.96Å; Q354-V357 PolarHBondContact O-N 3.38Å; Y355-V357 VanDerWaalsContact C-N 3.33Å; Y355-V357 PolarHBondContact O-N 2.86Å; V357-Q359 VanDerWaalsContact C-N 3.31Å; V357-Q359 PolarHBondContact O-N 2.94Å; V357-N360 PolarHBondContact O-N 2.9Å; V357-V361 HydrophobicContact CG1-CG2 4.23Å; V357-V361 WeakPolarHBondContact O-CG2 3.46Å; V357-V361 PolarHBondContact O-N 2.97Å
358	L	93.1	Very high	89.7	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.9	-38.6	-179.6	-73.8	167.2	0	0	0	112.3	L347 Q354 Y355 N360 V361 A362 F379 I389 L392 K393	L347-L358 HydrophobicContact CD1-CD2 4.16Å; L347-L358 HydrophobicContact CD2-CD1 4.39Å; L347-L358 HydrophobicContact CD2-CD2 3.66Å; L347-L358 HydrophobicContact CD2-CG 3.62Å; Q354-L358 VanDerWaalsContact O-CB 3.29Å; Q354-L358 WeakPolarHBondContact O-CB 3.39Å; Q354-L358 VanDerWaalsContact O-CG 3.23Å; Q354-L358 WeakPolarHBondContact O-CG 3.49Å; Q354-L358 PolarHBondContact O-N 3.3Å; Y355-L358 PolarHBondContact O-N 3.02Å; L358-N360 VanDerWaalsContact C-N 3.28Å; L358-N360 PolarHBondContact O-N 3.17Å; L358-V361 PolarHBondContact O-N 3.17Å; L358-A362 WeakPolarHBondContact O-CB 3.48Å; L358-A362 PolarHBondContact O-N 3.4Å; L358-F379 HydrophobicContact CD2-CD1 3.89Å; L358-F379 HydrophobicContact CD2-CE1 3.95Å; L358-I389 HydrophobicContact CD1-CG2 3.81Å; L358-L392 HydrophobicContact CB-CB 3.89Å; L358-L392 HydrophobicContact CB-CD1 4.02Å; L358-L392 HydrophobicContact CD1-CB 4.27Å; L358-K393 HydrophobicContact CD1-CG 3.96Å; L358-K393 HydrophobicContact CD2-CG 4.17Å
359	Q	91.7	Very high	89.2	Confident	4 Å²	4	41.3 Å²	41.3	2%	0.019	20%	0.196	C	C	.	.	H	α-helix	trans	-62.2	-35.7	176.8	177.9	142.8	7	0	0	112.8	Y355 V357 T363 L392 F615 L629	Y355-Q359 VanDerWaalsContact CZ-OE1 3.28Å; Y355-Q359 VanDerWaalsContact O-CB 3.27Å; Y355-Q359 WeakPolarHBondContact O-CB 3.42Å; Y355-Q359 PolarHBondContact O-N 2.87Å; Y355-Q359 PolarHBondContact OH-OE1 2.86Å; V357-Q359 VanDerWaalsContact C-N 3.31Å; V357-Q359 PolarHBondContact O-N 2.94Å; Q359-T363 PolarHBondContact O-OG1 3.21Å; Q359-L392 HydrophobicContact CB-CD1 4.25Å; Q359-L392 HydrophobicContact CB-CD2 4.33Å; Q359-F615 HydrophobicContact CG-CE1 4.16Å; Q359-L629 HydrophobicContact CG-CD1 4.03Å; Q359-L629 PolarHBondContact NE2-O 3.22Å
360	N	90.9	Very high	88.8	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.011	21%	0.206	C	C	.	.	H	α-helix	trans	-73.5	-45	171.5	-75.8	-76.4	0	0	0	111.6	M321 V356 V357 L358 A362 T363 M364 L623 G624 H628	M321-N360 HydrophobicContact CE-CB 3.7Å; V356-N360 PolarHBondContact O-N 2.91Å; V356-N360 PolarHBondContact O-ND2 3.2Å; V357-N360 PolarHBondContact O-N 2.9Å; L358-N360 VanDerWaalsContact C-N 3.28Å; L358-N360 PolarHBondContact O-N 3.17Å; N360-A362 VanDerWaalsContact C-N 3.32Å; N360-A362 PolarHBondContact O-N 3.32Å; N360-T363 PolarHBondContact O-N 3.04Å; N360-T363 VanDerWaalsContact O-N 3.1Å; N360-M364 WeakPolarHBondContact O-CG 3.27Å; N360-M364 PolarHBondContact O-N 3.33Å; N360-L623 HydrophobicContact CB-CD1 3.87Å; N360-L623 HydrophobicContact CB-CG 4.24Å; N360-L623 WeakPolarHBondContact OD1-CD1 3.45Å; N360-L623 VanDerWaalsContact OD1-CG 3.27Å; N360-L623 WeakPolarHBondContact OD1-CG 3.27Å; N360-G624 WeakPolarHBondContact OD1-CA 3.42Å; N360-G624 PolarHBondContact OD1-N 2.8Å; N360-H628 PolarHBondContact OD1-CE1 3.06Å; N360-H628 PolarHBondContact OD1-ND1 2.85Å
361	V	92	Very high	88.6	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.006	18%	0.178	C	C	.	.	H	α-helix	trans	-57	-42.9	176.5	171.9	0	0	0	0	111.8	L343 V357 L358 T363 M364 T365 F372 F379 V396	L343-V361 HydrophobicContact CB-CG2 4.19Å; L343-V361 HydrophobicContact CD1-CG2 4.11Å; V357-V361 HydrophobicContact CG1-CG2 4.23Å; V357-V361 WeakPolarHBondContact O-CG2 3.46Å; V357-V361 PolarHBondContact O-N 2.97Å; L358-V361 PolarHBondContact O-N 3.17Å; V361-T363 PolarHBondContact O-N 2.91Å; V361-M364 CarbonylContact O-C 3.56Å; V361-M364 PolarHBondContact O-N 2.95Å; V361-T365 HydrophobicContact CG1-CG2 4.26Å; V361-T365 PolarHBondContact O-N 2.89Å; V361-T365 PolarHBondContact O-OG1 3.13Å; V361-F372 HydrophobicContact CB-CZ 4.3Å; V361-F372 HydrophobicContact CG1-CD1 4.17Å; V361-F372 HydrophobicContact CG1-CD2 4.09Å; V361-F372 HydrophobicContact CG1-CE1 3.97Å; V361-F372 HydrophobicContact CG1-CE2 3.89Å; V361-F372 HydrophobicContact CG1-CG 4.22Å; V361-F372 HydrophobicContact CG1-CZ 3.82Å; V361-F372 HydrophobicContact CG2-CE1 3.97Å; V361-F372 HydrophobicContact CG2-CZ 3.81Å; V361-F379 HydrophobicContact CG1-CE1 3.92Å; V361-F379 HydrophobicContact CG1-CZ 4.04Å; V361-V396 HydrophobicContact CB-CG2 4.49Å; V361-V396 HydrophobicContact CG1-CG1 4.1Å; V361-V396 HydrophobicContact CG1-CG2 3.96Å
362	A	90.8	Very high	88.5	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59	-31.7	178	0	0	0	0	0	113.3	L358 N360 T365 V396 F615	L358-A362 WeakPolarHBondContact O-CB 3.48Å; L358-A362 PolarHBondContact O-N 3.4Å; N360-A362 VanDerWaalsContact C-N 3.32Å; N360-A362 PolarHBondContact O-N 3.32Å; A362-T365 WeakPolarHBondContact CA-OG1 3.14Å; A362-T365 PolarHBondContact O-OG1 3.17Å; A362-V396 HydrophobicContact CB-CG2 3.88Å; A362-F615 HydrophobicContact CB-CD1 3.95Å; A362-F615 HydrophobicContact CB-CE1 4.09Å; A362-F615 HydrophobicContact CB-CG 4.25Å; A362-F615 HydrophobicContact CB-CZ 4.48Å
363	T	89.1	Confident	88.2	Confident	2 Å²	2	30.8 Å²	30.8	1%	0.012	15%	0.151	C	C	.	.	H	α-helix	trans	-78.9	-42.2	173.9	-47.6	0	0	0	0	110.7	Q359 N360 V361 T365 I366 R618 D619 H628	Q359-T363 PolarHBondContact O-OG1 3.21Å; N360-T363 PolarHBondContact O-N 3.04Å; N360-T363 VanDerWaalsContact O-N 3.1Å; V361-T363 PolarHBondContact O-N 2.91Å; T363-T365 VanDerWaalsContact C-N 3.3Å; T363-T365 PolarHBondContact O-N 2.6Å; T363-I366 PolarHBondContact O-N 3.35Å; T363-R618 HydrophobicContact CG2-CB 4.38Å; T363-D619 WeakPolarHBondContact CG2-OD1 3.08Å; T363-H628 WeakPolarHBondContact CB-NE2 3.49Å; T363-H628 PolarHBondContact OG1-CE1 2.87Å; T363-H628 PolarHBondContact OG1-NE2 3.11Å
364	M	89.1	Confident	88.1	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.3	-35.7	176.6	-63.6	175.3	82.7	0	0	112.8	F328 L343 N360 V361 I366 R368 M371 F372 L623	F328-M364 HydrophobicContact CB-CE 4.3Å; F328-M364 HydrophobicContact CD2-CE 3.79Å; F328-M364 HydrophobicContact CD2-CG 3.92Å; F328-M364 HydrophobicContact CE2-CB 4.11Å; F328-M364 HydrophobicContact CE2-CG 3.81Å; F328-M364 HydrophobicContact CG-CE 4.35Å; F328-M364 HydrophobicContact CZ-CG 4.37Å; L343-M364 HydrophobicContact CD1-CE 4.15Å; L343-M364 HydrophobicContact CD1-SD 3.72Å; N360-M364 WeakPolarHBondContact O-CG 3.27Å; N360-M364 PolarHBondContact O-N 3.33Å; V361-M364 CarbonylContact O-C 3.56Å; V361-M364 PolarHBondContact O-N 2.95Å; M364-I366 VanDerWaalsContact C-N 3.34Å; M364-I366 PolarHBondContact O-N 3.37Å; M364-R368 PolarHBondContact O-N 3.44Å; M364-M371 HydrophobicContact CE-CE 4.09Å; M364-M371 HydrophobicContact CE-SD 3.63Å; M364-F372 HydrophobicContact CB-CE2 4.05Å; M364-F372 HydrophobicContact SD-CZ 4.38Å; M364-L623 HydrophobicContact CE-CD2 4.39Å; M364-L623 HydrophobicContact CG-CD1 4.05Å; M364-L623 HydrophobicContact CG-CD2 3.87Å; M364-L623 HydrophobicContact SD-CD2 3.83Å
365	T	89.1	Confident	88	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.8	-29.6	177.5	45.8	0	0	0	0	113.3	V361 A362 T363 R369 F372 V396 L400	V361-T365 HydrophobicContact CG1-CG2 4.26Å; V361-T365 PolarHBondContact O-N 2.89Å; V361-T365 PolarHBondContact O-OG1 3.13Å; A362-T365 WeakPolarHBondContact CA-OG1 3.14Å; A362-T365 PolarHBondContact O-OG1 3.17Å; T363-T365 VanDerWaalsContact C-N 3.3Å; T363-T365 PolarHBondContact O-N 2.6Å; T365-R369 WeakPolarHBondContact O-CA 3.22Å; T365-R369 WeakPolarHBondContact O-CG 3.5Å; T365-R369 PolarHBondContact O-N 3.35Å; T365-R369 VanDerWaalsContact O-N 3.16Å; T365-F372 HydrophobicContact CG2-CB 4.42Å; T365-F372 HydrophobicContact CG2-CD2 3.65Å; T365-F372 HydrophobicContact CG2-CE2 4.32Å; T365-F372 HydrophobicContact CG2-CG 4.35Å; T365-V396 HydrophobicContact CG2-CG1 4.32Å; T365-L400 HydrophobicContact CG2-CD1 4.46Å; T365-L400 HydrophobicContact CG2-CD2 3.88Å; T365-L400 HydrophobicContact CG2-CG 4.07Å
366	I	86.8	Confident	87.9	Confident	42 Å²	42	34.1 Å²	34.1	22%	0.215	18%	0.176	C	C	.	.	H	α-helix	trans	-65	-50.7	177.1	-69.7	168.9	0	0	0	110	T363 M364 S613 F615	T363-I366 PolarHBondContact O-N 3.35Å; M364-I366 VanDerWaalsContact C-N 3.34Å; M364-I366 PolarHBondContact O-N 3.37Å; I366-S613 VanDerWaalsContact CD1-OG 3.28Å; I366-S613 WeakPolarHBondContact CD1-OG 3.29Å; I366-F615 HydrophobicContact CD1-CB 3.51Å
367	K	81.8	Confident	87.8	Confident	106 Å²	106	39.8 Å²	39.8	46%	0.461	20%	0.196	S	C	.	.	H	α-helix	trans	-71.9	-30.1	177.5	-62.3	-157.6	-173.1	-172.9	0	114	F328 D619	F328-K367 HydrophobicContact CZ-CD 4.04Å; F328-K367 HydrophobicContact CZ-CG 4.46Å; K367-D619 WeakPolarHBondContact CE-OD1 3.42Å; K367-D619 WeakPolarHBondContact CE-OD2 3.4Å; K367-D619 IonicContact NZ-OD1 2.72Å; K367-D619 IonicContact NZ-OD2 3.52Å
368	R	79.8	Confident	87.8	Confident	61 Å²	61	42 Å²	42	23%	0.23	21%	0.212	C	C	.	.			trans	-147.5	69.6	-168.9	-60.3	-170.6	-169.4	-174.1	7.4	112.8	M364 G370 M371	M364-R368 PolarHBondContact O-N 3.44Å; R368-G370 PolarHBondContact O-N 2.96Å; R368-M371 HydrophobicContact CB-CE 3.99Å; R368-M371 VanDerWaalsContact O-CB 3.3Å; R368-M371 WeakPolarHBondContact O-CB 3.48Å; R368-M371 PolarHBondContact O-N 2.97Å
369	R	79.1	Confident	87.8	Confident	114 Å²	114	42.1 Å²	42.1	43%	0.43	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-48.4	-53.4	-176.6	-60.6	-175.5	-172.9	-175.9	3.7	113.6	T365 M371 F372 N399 L400	T365-R369 WeakPolarHBondContact O-CA 3.22Å; T365-R369 WeakPolarHBondContact O-CG 3.5Å; T365-R369 PolarHBondContact O-N 3.35Å; T365-R369 VanDerWaalsContact O-N 3.16Å; R369-M371 PolarHBondContact O-N 3.31Å; R369-F372 PolarHBondContact O-N 2.88Å; R369-N399 WeakPolarHBondContact CD-O 3.4Å; R369-N399 WeakPolarHBondContact CG-O 3.48Å; R369-L400 WeakPolarHBondContact O-CD2 3.13Å
370	G	78.6	Confident	87.9	Confident	51 Å²	51	44.6 Å²	44.6	53%	0.526	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-59.8	-9.3	-176.4	0	0	0	0	0	116.3	R368 F372	R368-G370 PolarHBondContact O-N 2.96Å; G370-F372 VanDerWaalsContact C-N 3.31Å; G370-F372 PolarHBondContact O-N 2.98Å
371	M	85.6	Confident	88.1	Confident	19 Å²	19	45.5 Å²	45.5	9%	0.094	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-62.4	-34.3	177.7	-177.3	176.8	-45.1	0	0	113.6	V336 A340 M364 R368 R369	V336-M371 HydrophobicContact CB-CE 4.14Å; V336-M371 HydrophobicContact CG1-CE 3.5Å; V336-M371 HydrophobicContact CG1-SD 4.24Å; A340-M371 HydrophobicContact CB-CG 3.97Å; A340-M371 WeakPolarHBondContact CB-O 3.46Å; M364-M371 HydrophobicContact CE-CE 4.09Å; M364-M371 HydrophobicContact CE-SD 3.63Å; R368-M371 HydrophobicContact CB-CE 3.99Å; R368-M371 VanDerWaalsContact O-CB 3.3Å; R368-M371 WeakPolarHBondContact O-CB 3.48Å; R368-M371 PolarHBondContact O-N 2.97Å; R369-M371 PolarHBondContact O-N 3.31Å
372	F	89.5	Confident	88	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-2.6	-171.8	-65.5	-84.5	0	0	0	114.4	A340 L343 V344 V361 M364 T365 R369 G370 Y375 L376 F379 L400	A340-F372 HydrophobicContact CB-CD1 3.9Å; A340-F372 HydrophobicContact CB-CE1 3.89Å; L343-F372 HydrophobicContact CB-CE1 4.28Å; L343-F372 HydrophobicContact CD1-CE1 4.25Å; L343-F372 HydrophobicContact CD1-CZ 3.85Å; V344-F372 HydrophobicContact CG2-CD1 4.26Å; V361-F372 HydrophobicContact CB-CZ 4.3Å; V361-F372 HydrophobicContact CG1-CD1 4.17Å; V361-F372 HydrophobicContact CG1-CD2 4.09Å; V361-F372 HydrophobicContact CG1-CE1 3.97Å; V361-F372 HydrophobicContact CG1-CE2 3.89Å; V361-F372 HydrophobicContact CG1-CG 4.22Å; V361-F372 HydrophobicContact CG1-CZ 3.82Å; V361-F372 HydrophobicContact CG2-CE1 3.97Å; V361-F372 HydrophobicContact CG2-CZ 3.81Å; M364-F372 HydrophobicContact CB-CE2 4.05Å; M364-F372 HydrophobicContact SD-CZ 4.38Å; T365-F372 HydrophobicContact CG2-CB 4.42Å; T365-F372 HydrophobicContact CG2-CD2 3.65Å; T365-F372 HydrophobicContact CG2-CE2 4.32Å; T365-F372 HydrophobicContact CG2-CG 4.35Å; R369-F372 PolarHBondContact O-N 2.88Å; G370-F372 VanDerWaalsContact C-N 3.31Å; G370-F372 PolarHBondContact O-N 2.98Å; F372-Y375 CarbonylContact O-C 3.6Å; F372-Y375 WeakPolarHBondContact O-CA 3.34Å; F372-Y375 PolarHBondContact O-N 3.17Å; F372-L376 PolarHBondContact O-N 3.39Å; F372-F379 HydrophobicContact CB-CE2 4Å; F372-F379 HydrophobicContact CB-CZ 4.28Å; F372-F379 HydrophobicContact CD1-CE2 4.15Å; F372-F379 AromaticContact CD1-CZ 3.74Å; F372-F379 HydrophobicContact CD1-CZ 3.74Å; F372-F379 HydrophobicContact CE1-CZ 4.43Å; F372-F379 HydrophobicContact CG-CE2 4.44Å; F372-F379 HydrophobicContact CG-CZ 4.25Å; F372-L400 HydrophobicContact CB-CD1 3.9Å; F372-L400 HydrophobicContact CB-CD2 4.09Å
373	E	85.5	Confident	87.8	Confident	68 Å²	68	56.4 Å²	56.4	32%	0.318	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-54.8	-42.6	179.8	-179.1	162.5	-142.8	0	0	114	Y375 L376 N402 N405	E373-Y375 PolarHBondContact O-N 2.98Å; E373-L376 PolarHBondContact O-N 3.26Å; E373-N402 VanDerWaalsContact CD-ND2 3.33Å; E373-N402 PolarHBondContact OE1-ND2 3.19Å; E373-N402 PolarHBondContact OE2-ND2 3.3Å; E373-N405 PolarHBondContact OE1-ND2 2.92Å
374	P	87.9	Confident	87.8	Confident	105 Å²	105	61.9 Å²	61.9	68%	0.682	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-62.3	-11.7	173.9	-23.4	35	0	0	0	114.9
375	Y	89.8	Confident	87.9	Confident	72 Å²	72	62.1 Å²	62.1	28%	0.282	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-113.5	9.6	-175.9	-60.5	-62.2	0	0	0	113.8	A340 K341 V344 F372 E373 K377 S378	A340-Y375 HydrophobicContact CB-CD2 3.89Å; A340-Y375 HydrophobicContact CB-CE2 3.75Å; K341-Y375 HydrophobicContact CB-CE2 4.34Å; V344-Y375 HydrophobicContact CG1-CD1 4.43Å; V344-Y375 HydrophobicContact CG1-CG 4.5Å; V344-Y375 HydrophobicContact CG2-CD2 4.24Å; V344-Y375 HydrophobicContact CG2-CG 3.98Å; F372-Y375 CarbonylContact O-C 3.6Å; F372-Y375 WeakPolarHBondContact O-CA 3.34Å; F372-Y375 PolarHBondContact O-N 3.17Å; E373-Y375 PolarHBondContact O-N 2.98Å; Y375-K377 VanDerWaalsContact C-N 3.3Å; Y375-K377 PolarHBondContact O-N 3.05Å; Y375-K377 VanDerWaalsContact O-N 3.09Å; Y375-S378 WeakPolarHBondContact O-CA 3.18Å; Y375-S378 WeakPolarHBondContact O-CB 3.48Å; Y375-S378 PolarHBondContact O-N 2.81Å; Y375-S378 PolarHBondContact O-OG 2.75Å
376	L	90.7	Very high	88.1	Confident	18 Å²	18	64.9 Å²	64.9	9%	0.094	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-42.2	-49.3	-174.8	-168.5	73.1	0	0	0	114	F372 E373 S378 F379 Y380 L397 L400 N405 I409	F372-L376 PolarHBondContact O-N 3.39Å; E373-L376 PolarHBondContact O-N 3.26Å; L376-S378 PolarHBondContact O-N 2.99Å; L376-F379 PolarHBondContact O-N 2.9Å; L376-Y380 HydrophobicContact CD2-CE1 4.47Å; L376-Y380 HydrophobicContact CG-CE1 4.1Å; L376-Y380 WeakPolarHBondContact O-CD1 3.33Å; L376-L397 HydrophobicContact CD1-CD2 3.67Å; L376-L397 HydrophobicContact CG-CD2 4.18Å; L376-L400 HydrophobicContact CD1-CB 4.03Å; L376-L400 HydrophobicContact CD1-CD1 4.16Å; L376-N405 HydrophobicContact CD2-CB 4.45Å; L376-I409 HydrophobicContact CD1-CD1 4.11Å; L376-I409 HydrophobicContact CD2-CD1 4.29Å; L376-I409 HydrophobicContact CD2-CG1 4.19Å
377	K	91.4	Very high	88.3	Confident	170 Å²	170	64.9 Å²	64.9	74%	0.739	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-57.7	-19.7	178.4	-61.6	-178.4	-178.1	178.2	0	114.6	Y375 F379 Y380	Y375-K377 VanDerWaalsContact C-N 3.3Å; Y375-K377 PolarHBondContact O-N 3.05Å; Y375-K377 VanDerWaalsContact O-N 3.09Å; K377-F379 VanDerWaalsContact C-N 3.34Å; K377-Y380 HydrophobicContact CB-CE2 4.39Å; K377-Y380 HydrophobicContact CG-CE2 4.14Å
378	S	91	Very high	88.7	Confident	48 Å²	48	65.4 Å²	65.4	34%	0.336	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-78.8	-19.9	177.2	-44.8	0	0	0	0	112.9	Y375 L376	Y375-S378 WeakPolarHBondContact O-CA 3.18Å; Y375-S378 WeakPolarHBondContact O-CB 3.48Å; Y375-S378 PolarHBondContact O-N 2.81Å; Y375-S378 PolarHBondContact O-OG 2.75Å; L376-S378 PolarHBondContact O-N 2.99Å
379	F	93.9	Very high	89.4	Confident	1 Å²	1	62.7 Å²	62.7	0%	0.004	33%	0.333	C	S	.	.	S	Bend	trans	-94	-4.1	178.5	-61.2	-78.7	0	0	0	112.8	V344 L347 L358 V361 F372 L376 K377 K393 V396 L397 L400	V344-F379 HydrophobicContact CG2-CE2 4.11Å; V344-F379 HydrophobicContact CG2-CZ 3.84Å; L347-F379 HydrophobicContact CD1-CD1 3.97Å; L347-F379 HydrophobicContact CD1-CE1 3.55Å; L347-F379 HydrophobicContact CD1-CZ 4.15Å; L358-F379 HydrophobicContact CD2-CD1 3.89Å; L358-F379 HydrophobicContact CD2-CE1 3.95Å; V361-F379 HydrophobicContact CG1-CE1 3.92Å; V361-F379 HydrophobicContact CG1-CZ 4.04Å; F372-F379 HydrophobicContact CB-CE2 4Å; F372-F379 HydrophobicContact CB-CZ 4.28Å; F372-F379 HydrophobicContact CD1-CE2 4.15Å; F372-F379 AromaticContact CD1-CZ 3.74Å; F372-F379 HydrophobicContact CD1-CZ 3.74Å; F372-F379 HydrophobicContact CE1-CZ 4.43Å; F372-F379 HydrophobicContact CG-CE2 4.44Å; F372-F379 HydrophobicContact CG-CZ 4.25Å; L376-F379 PolarHBondContact O-N 2.9Å; K377-F379 VanDerWaalsContact C-N 3.34Å; F379-K393 WeakPolarHBondContact O-CB 3.28Å; F379-K393 WeakPolarHBondContact O-CD 3.42Å; F379-K393 WeakPolarHBondContact O-CG 3.39Å; F379-V396 HydrophobicContact CB-CG1 4.4Å; F379-V396 HydrophobicContact CD1-CB 4.26Å; F379-V396 HydrophobicContact CD1-CG1 3.56Å; F379-V396 HydrophobicContact CD2-CG1 4.23Å; F379-V396 HydrophobicContact CE1-CG1 3.77Å; F379-V396 HydrophobicContact CE2-CG1 4.42Å; F379-V396 HydrophobicContact CG-CG1 3.79Å; F379-V396 HydrophobicContact CZ-CG1 4.2Å; F379-L397 HydrophobicContact CB-CD2 3.86Å; F379-L397 HydrophobicContact CB-CG 4.12Å; F379-L400 HydrophobicContact CD2-CD1 4.39Å
380	Y	93.9	Very high	90.1	Very high	57 Å²	57	58.4 Å²	58.4	22%	0.224	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-58.6	146	174.2	-68.1	3	0	0	0	111.2	L376 K377 K393 L397 E412	L376-Y380 HydrophobicContact CD2-CE1 4.47Å; L376-Y380 HydrophobicContact CG-CE1 4.1Å; L376-Y380 WeakPolarHBondContact O-CD1 3.33Å; K377-Y380 HydrophobicContact CB-CE2 4.39Å; K377-Y380 HydrophobicContact CG-CE2 4.14Å; Y380-K393 PolarHBondContact O-NZ 3.12Å; Y380-L397 HydrophobicContact CD1-CD2 4.07Å; Y380-L397 HydrophobicContact CE1-CD2 4.27Å; Y380-E412 HydrophobicContact CE1-CG 4.43Å; Y380-E412 HydrophobicContact CE2-CG 4.29Å
381	I	93.8	Very high	90.9	Very high	21 Å²	21	59 Å²	59	11%	0.108	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-95.2	127.1	-166.1	-61.2	177.8	0	0	0	110	K390 K393 L394 Y416 F424	I381-K390 VanDerWaalsContact CD1-O 3.27Å; I381-K390 WeakPolarHBondContact CD1-O 3.45Å; I381-K390 HydrophobicContact CG2-CB 3.94Å; I381-K390 HydrophobicContact CG2-CD 3.84Å; I381-K390 HydrophobicContact CG2-CG 3.63Å; I381-K393 HydrophobicContact CD1-CB 4Å; I381-K393 HydrophobicContact CG1-CB 3.68Å; I381-K393 HydrophobicContact CG1-CD 3.94Å; I381-K393 HydrophobicContact CG1-CG 4.49Å; I381-L394 HydrophobicContact CD1-CB 3.95Å; I381-Y416 HydrophobicContact CB-CE1 4.14Å; I381-Y416 HydrophobicContact CB-CE2 4.09Å; I381-Y416 HydrophobicContact CD1-CD2 3.99Å; I381-Y416 HydrophobicContact CD1-CE2 3.65Å; I381-Y416 HydrophobicContact CG1-CE2 3.95Å; I381-Y416 PolarHBondContact N-OH 3.26Å; I381-F424 HydrophobicContact CB-CZ 4.49Å; I381-F424 HydrophobicContact CD1-CE2 3.52Å; I381-F424 HydrophobicContact CD1-CZ 3.54Å; I381-F424 HydrophobicContact CG2-CE1 4.48Å; I381-F424 HydrophobicContact CG2-CZ 4.01Å
382	R	90.5	Very high	91.2	Very high	119 Å²	119	58.6 Å²	58.6	45%	0.449	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-93.2	148	175.2	-58.3	172.5	-66.2	-144	-3	109.5	T384 D385 K390	R382-T384 PolarHBondContact O-N 3.49Å; R382-D385 WeakPolarHBondContact CB-OD2 3.4Å; R382-D385 IonicContact CZ-OD1 2.7Å; R382-D385 PolarHBondContact N-OD2 2.89Å; R382-D385 IonicContact NE-OD1 2.69Å; R382-D385 PolarHBondContact NE-OD1 3.14Å; R382-D385 IonicContact NE-OD2 3.82Å; R382-D385 IonicContact NH2-OD1 3.24Å; R382-D385 PolarHBondContact NH2-OD1 3.11Å; R382-D385 WeakPolarHBondContact O-CB 3.38Å; R382-D385 PolarHBondContact O-N 3.43Å; R382-D385 VanDerWaalsContact O-N 3.08Å; R382-K390 WeakPolarHBondContact O-CE 3.19Å
383	S	86.4	Confident	91.5	Very high	111 Å²	111	58.9 Å²	58.9	78%	0.776	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-39.1	172	49.3	0	0	0	0	112.2	D385 K390	S383-D385 VanDerWaalsContact C-N 3.35Å; S383-D385 PolarHBondContact O-N 2.91Å; S383-K390 PolarHBondContact O-NZ 3.06Å
384	T	89.6	Confident	91.9	Very high	116 Å²	116	55.9 Å²	55.9	71%	0.712	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-9.4	179.6	53.7	0	0	0	0	115.8	R382	R382-T384 PolarHBondContact O-N 3.49Å
385	D	90.8	Very high	92.1	Very high	6 Å²	6	51.4 Å²	51.4	3%	0.032	26%	0.264	C	S	.	.	S	Bend	trans	-74	134.2	178.1	-65.7	-29.9	0	0	0	110.4	R382 S383 I389 K390 K393	R382-D385 WeakPolarHBondContact CB-OD2 3.4Å; R382-D385 IonicContact CZ-OD1 2.7Å; R382-D385 PolarHBondContact N-OD2 2.89Å; R382-D385 IonicContact NE-OD1 2.69Å; R382-D385 PolarHBondContact NE-OD1 3.14Å; R382-D385 IonicContact NE-OD2 3.82Å; R382-D385 IonicContact NH2-OD1 3.24Å; R382-D385 PolarHBondContact NH2-OD1 3.11Å; R382-D385 WeakPolarHBondContact O-CB 3.38Å; R382-D385 PolarHBondContact O-N 3.43Å; R382-D385 VanDerWaalsContact O-N 3.08Å; S383-D385 VanDerWaalsContact C-N 3.35Å; S383-D385 PolarHBondContact O-N 2.91Å; D385-I389 HydrophobicContact CB-CG2 4.05Å; D385-K390 HydrophobicContact CB-CG 4.13Å; D385-K390 WeakPolarHBondContact O-CE 3.43Å; D385-K390 WeakPolarHBondContact O-CG 3.47Å; D385-K390 PolarHBondContact O-NZ 3.15Å; D385-K393 IonicContact OD1-NZ 3.73Å; D385-K393 IonicContact OD2-NZ 2.85Å; D385-K393 PolarHBondContact OD2-NZ 2.85Å
386	P	92.9	Very high	92.3	Very high	57 Å²	57	48 Å²	48	37%	0.37	25%	0.251	S	S	.	.			trans	-55.7	146.9	172.6	-27.8	34.4	0	0	0	113.4	Q388 I389 K390	P386-Q388 VanDerWaalsContact C-N 3.26Å; P386-Q388 PolarHBondContact O-N 2.96Å; P386-Q388 VanDerWaalsContact O-N 3.13Å; P386-I389 HydrophobicContact CB-CD1 4.46Å; P386-I389 HydrophobicContact CG-CD1 4.16Å; P386-I389 CarbonylContact O-C 3.56Å; P386-I389 WeakPolarHBondContact O-CA 3.48Å; P386-I389 WeakPolarHBondContact O-CB 3.49Å; P386-I389 PolarHBondContact O-N 3.42Å; P386-K390 PolarHBondContact O-N 2.71Å
387	T	91.6	Very high	92.4	Very high	43 Å²	43	47.2 Å²	47.2	26%	0.264	25%	0.246	S	C	.	.	H	α-helix	trans	-50.7	-40.9	-175.7	-54.2	0	0	0	0	113.6	I389 K390 I391 D421	T387-I389 VanDerWaalsContact C-N 3.3Å; T387-I389 PolarHBondContact O-N 3.26Å; T387-K390 WeakPolarHBondContact O-CB 3.39Å; T387-K390 PolarHBondContact O-N 2.8Å; T387-I391 HydrophobicContact CG2-CD1 3.96Å; T387-I391 WeakPolarHBondContact O-CG1 3.45Å; T387-I391 PolarHBondContact O-N 3.07Å; T387-D421 WeakPolarHBondContact CB-OD2 3.47Å; T387-D421 WeakPolarHBondContact CG2-OD2 3.48Å; T387-D421 PolarHBondContact OG1-OD2 2.98Å
388	Q	91.3	Very high	92.5	Very high	116 Å²	116	39.2 Å²	39.2	54%	0.542	21%	0.212	S	C	.	.	H	α-helix	trans	-64.4	-35.1	177.5	-57	79	6.2	0	0	112.1	Y355 P386 L392	Y355-Q388 HydrophobicContact CD2-CB 4.15Å; Y355-Q388 HydrophobicContact CE2-CB 4.08Å; P386-Q388 VanDerWaalsContact C-N 3.26Å; P386-Q388 PolarHBondContact O-N 2.96Å; P386-Q388 VanDerWaalsContact O-N 3.13Å; Q388-L392 WeakPolarHBondContact O-CG 3.31Å; Q388-L392 PolarHBondContact O-N 2.91Å; Q388-L392 VanDerWaalsContact O-N 3.13Å
389	I	94	Very high	92.4	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.021	20%	0.2	C	C	.	.	H	α-helix	trans	-75.5	-36.8	174.5	-70.9	168.9	0	0	0	110.6	S351 Q354 L358 D385 P386 T387 L392 K393	S351-I389 WeakPolarHBondContact O-CD1 3.3Å; Q354-I389 HydrophobicContact CB-CD1 3.91Å; Q354-I389 HydrophobicContact CB-CG1 4.49Å; L358-I389 HydrophobicContact CD1-CG2 3.81Å; D385-I389 HydrophobicContact CB-CG2 4.05Å; P386-I389 HydrophobicContact CB-CD1 4.46Å; P386-I389 HydrophobicContact CG-CD1 4.16Å; P386-I389 CarbonylContact O-C 3.56Å; P386-I389 WeakPolarHBondContact O-CA 3.48Å; P386-I389 WeakPolarHBondContact O-CB 3.49Å; P386-I389 PolarHBondContact O-N 3.42Å; T387-I389 VanDerWaalsContact C-N 3.3Å; T387-I389 PolarHBondContact O-N 3.26Å; I389-L392 PolarHBondContact O-N 3.46Å; I389-K393 HydrophobicContact CG2-CD 4.28Å; I389-K393 HydrophobicContact CG2-CG 4.5Å; I389-K393 WeakPolarHBondContact O-CB 3.29Å; I389-K393 WeakPolarHBondContact O-CG 3.48Å; I389-K393 PolarHBondContact O-N 3.16Å
390	K	94.1	Very high	92.3	Very high	24 Å²	24	37.8 Å²	37.8	10%	0.104	20%	0.2	C	C	.	.	H	α-helix	trans	-57.9	-50.4	172.1	-59.9	-161.9	167.1	86.7	0	111	I381 R382 S383 D385 P386 T387 L392 K393 L394 F424	I381-K390 VanDerWaalsContact CD1-O 3.27Å; I381-K390 WeakPolarHBondContact CD1-O 3.45Å; I381-K390 HydrophobicContact CG2-CB 3.94Å; I381-K390 HydrophobicContact CG2-CD 3.84Å; I381-K390 HydrophobicContact CG2-CG 3.63Å; R382-K390 WeakPolarHBondContact O-CE 3.19Å; S383-K390 PolarHBondContact O-NZ 3.06Å; D385-K390 HydrophobicContact CB-CG 4.13Å; D385-K390 WeakPolarHBondContact O-CE 3.43Å; D385-K390 WeakPolarHBondContact O-CG 3.47Å; D385-K390 PolarHBondContact O-NZ 3.15Å; P386-K390 PolarHBondContact O-N 2.71Å; T387-K390 WeakPolarHBondContact O-CB 3.39Å; T387-K390 PolarHBondContact O-N 2.8Å; K390-L392 PolarHBondContact O-N 2.88Å; K390-K393 PolarHBondContact O-N 3.31Å; K390-L394 VanDerWaalsContact O-CB 3.3Å; K390-L394 WeakPolarHBondContact O-CB 3.42Å; K390-L394 PolarHBondContact O-N 3.13Å; K390-F424 HydrophobicContact CB-CD2 3.61Å; K390-F424 HydrophobicContact CB-CE2 3.75Å; K390-F424 HydrophobicContact CB-CG 4.06Å; K390-F424 HydrophobicContact CB-CZ 4.28Å; K390-F424 HydrophobicContact CD-CD1 3.78Å; K390-F424 HydrophobicContact CD-CD2 4.34Å; K390-F424 HydrophobicContact CD-CE1 3.97Å; K390-F424 HydrophobicContact CD-CG 3.98Å; K390-F424 HydrophobicContact CD-CZ 4.34Å
391	I	93.8	Very high	92.1	Very high	65 Å²	65	35.2 Å²	35.2	33%	0.333	19%	0.191	S	C	.	.	H	α-helix	trans	-62.4	-43.5	179.3	-66.5	165.9	0	0	0	111.5	T387 L394 E395 F424 A427	T387-I391 HydrophobicContact CG2-CD1 3.96Å; T387-I391 WeakPolarHBondContact O-CG1 3.45Å; T387-I391 PolarHBondContact O-N 3.07Å; I391-L394 WeakPolarHBondContact O-CB 3.46Å; I391-L394 PolarHBondContact O-N 2.96Å; I391-E395 PolarHBondContact O-N 3.48Å; I391-F424 HydrophobicContact CG1-CD2 4.49Å; I391-A427 HydrophobicContact CG1-CB 4.3Å
392	L	93.5	Very high	91.8	Very high	10 Å²	10	36.3 Å²	36.3	5%	0.052	20%	0.197	C	C	.	.	H	α-helix	trans	-65.7	-40.4	177	-75.1	175.3	0	0	0	113.1	Y355 L358 Q359 Q388 I389 K390 E395 V396 F615	Y355-L392 HydrophobicContact CD2-CD1 3.42Å; Y355-L392 VanDerWaalsContact CD2-CD1 3.42Å; Y355-L392 HydrophobicContact CE2-CD1 3.7Å; Y355-L392 HydrophobicContact CG-CD1 4.19Å; L358-L392 HydrophobicContact CB-CB 3.89Å; L358-L392 HydrophobicContact CB-CD1 4.02Å; L358-L392 HydrophobicContact CD1-CB 4.27Å; Q359-L392 HydrophobicContact CB-CD1 4.25Å; Q359-L392 HydrophobicContact CB-CD2 4.33Å; Q388-L392 WeakPolarHBondContact O-CG 3.31Å; Q388-L392 PolarHBondContact O-N 2.91Å; Q388-L392 VanDerWaalsContact O-N 3.13Å; I389-L392 PolarHBondContact O-N 3.46Å; K390-L392 PolarHBondContact O-N 2.88Å; L392-E395 PolarHBondContact O-N 2.87Å; L392-V396 WeakPolarHBondContact O-CG2 3.11Å; L392-V396 PolarHBondContact O-N 3.42Å; L392-V396 VanDerWaalsContact O-N 3.09Å; L392-F615 HydrophobicContact CD2-CE1 4.08Å; L392-F615 HydrophobicContact CD2-CE2 4.37Å; L392-F615 HydrophobicContact CD2-CZ 3.49Å; L392-F615 VanDerWaalsContact CD2-CZ 3.49Å
393	K	94.6	Very high	91.6	Very high	5 Å²	5	37 Å²	37	2%	0.022	21%	0.206	C	C	.	.	H	α-helix	trans	-61.9	-43.7	173.7	-83.8	-179.6	166.9	-166.8	0	111.9	L358 F379 Y380 I381 D385 I389 K390 V396 L397	L358-K393 HydrophobicContact CD1-CG 3.96Å; L358-K393 HydrophobicContact CD2-CG 4.17Å; F379-K393 WeakPolarHBondContact O-CB 3.28Å; F379-K393 WeakPolarHBondContact O-CD 3.42Å; F379-K393 WeakPolarHBondContact O-CG 3.39Å; Y380-K393 PolarHBondContact O-NZ 3.12Å; I381-K393 HydrophobicContact CD1-CB 4Å; I381-K393 HydrophobicContact CG1-CB 3.68Å; I381-K393 HydrophobicContact CG1-CD 3.94Å; I381-K393 HydrophobicContact CG1-CG 4.49Å; D385-K393 IonicContact OD1-NZ 3.73Å; D385-K393 IonicContact OD2-NZ 2.85Å; D385-K393 PolarHBondContact OD2-NZ 2.85Å; I389-K393 HydrophobicContact CG2-CD 4.28Å; I389-K393 HydrophobicContact CG2-CG 4.5Å; I389-K393 WeakPolarHBondContact O-CB 3.29Å; I389-K393 WeakPolarHBondContact O-CG 3.48Å; I389-K393 PolarHBondContact O-N 3.16Å; K390-K393 PolarHBondContact O-N 3.31Å; K393-V396 PolarHBondContact O-N 3.1Å; K393-L397 WeakPolarHBondContact O-CG 3.24Å; K393-L397 PolarHBondContact O-N 2.92Å
394	L	94.8	Very high	91.7	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.026	20%	0.203	C	C	.	.	H	α-helix	trans	-60.4	-44.7	177.6	178.8	72.2	0	0	0	111.7	I381 K390 I391 V396 L397 T398 F413 Y416 F424 A427 T428 A431	I381-L394 HydrophobicContact CD1-CB 3.95Å; K390-L394 VanDerWaalsContact O-CB 3.3Å; K390-L394 WeakPolarHBondContact O-CB 3.42Å; K390-L394 PolarHBondContact O-N 3.13Å; I391-L394 WeakPolarHBondContact O-CB 3.46Å; I391-L394 PolarHBondContact O-N 2.96Å; L394-V396 PolarHBondContact O-N 3.38Å; L394-L397 PolarHBondContact O-N 3.39Å; L394-T398 WeakPolarHBondContact O-CB 3.37Å; L394-T398 PolarHBondContact O-N 3.38Å; L394-T398 PolarHBondContact O-OG1 3.3Å; L394-F413 HydrophobicContact CD1-CD1 3.96Å; L394-F413 HydrophobicContact CD1-CE1 3.49Å; L394-F413 VanDerWaalsContact CD1-CE1 3.49Å; L394-F413 HydrophobicContact CD1-CE2 4.38Å; L394-F413 HydrophobicContact CD1-CZ 3.72Å; L394-Y416 HydrophobicContact CD1-CD2 4.41Å; L394-F424 HydrophobicContact CB-CE2 4.27Å; L394-F424 HydrophobicContact CD2-CD2 4.36Å; L394-F424 HydrophobicContact CD2-CE2 4.09Å; L394-A427 VanDerWaalsContact CD2-C 3.45Å; L394-A427 HydrophobicContact CD2-CB 3.71Å; L394-T428 HydrophobicContact CD1-CG2 4.4Å; L394-A431 HydrophobicContact CD1-CB 3.92Å; L394-A431 HydrophobicContact CD2-CB 4.27Å; L394-A431 HydrophobicContact CG-CB 4Å
395	E	92.3	Very high	91.8	Very high	12 Å²	12	32.5 Å²	32.5	6%	0.056	17%	0.173	C	C	.	.	H	α-helix	trans	-61.4	-43	175	-169.4	70	-128.1	0	0	111.5	I391 L392 T398 N399 R434 S613 P614 F615	I391-E395 PolarHBondContact O-N 3.48Å; L392-E395 PolarHBondContact O-N 2.87Å; E395-T398 PolarHBondContact O-N 3.39Å; E395-N399 PolarHBondContact O-N 3.02Å; E395-N399 PolarHBondContact O-ND2 3.18Å; E395-R434 IonicContact OE1-CZ 3.57Å; E395-R434 IonicContact OE1-NH1 3.6Å; E395-R434 PolarHBondContact OE1-NH1 3.38Å; E395-R434 IonicContact OE2-CZ 2.68Å; E395-R434 IonicContact OE2-NH1 2.66Å; E395-R434 PolarHBondContact OE2-NH1 3.23Å; E395-S613 WeakPolarHBondContact OE1-CB 3.49Å; E395-P614 WeakPolarHBondContact OE2-CD 3.37Å; E395-F615 HydrophobicContact CG-CD2 3.73Å; E395-F615 HydrophobicContact CG-CE2 3.84Å
396	V	93.1	Very high	91.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62	-45.3	174.4	171	0	0	0	0	111.7	V361 A362 T365 F379 L392 K393 L394 T398 N399 L400	V361-V396 HydrophobicContact CB-CG2 4.49Å; V361-V396 HydrophobicContact CG1-CG1 4.1Å; V361-V396 HydrophobicContact CG1-CG2 3.96Å; A362-V396 HydrophobicContact CB-CG2 3.88Å; T365-V396 HydrophobicContact CG2-CG1 4.32Å; F379-V396 HydrophobicContact CB-CG1 4.4Å; F379-V396 HydrophobicContact CD1-CB 4.26Å; F379-V396 HydrophobicContact CD1-CG1 3.56Å; F379-V396 HydrophobicContact CD2-CG1 4.23Å; F379-V396 HydrophobicContact CE1-CG1 3.77Å; F379-V396 HydrophobicContact CE2-CG1 4.42Å; F379-V396 HydrophobicContact CG-CG1 3.79Å; F379-V396 HydrophobicContact CZ-CG1 4.2Å; L392-V396 WeakPolarHBondContact O-CG2 3.11Å; L392-V396 PolarHBondContact O-N 3.42Å; L392-V396 VanDerWaalsContact O-N 3.09Å; K393-V396 PolarHBondContact O-N 3.1Å; L394-V396 PolarHBondContact O-N 3.38Å; V396-T398 VanDerWaalsContact C-N 3.3Å; V396-T398 PolarHBondContact O-N 2.89Å; V396-N399 PolarHBondContact O-N 2.68Å; V396-L400 HydrophobicContact CG1-CD1 3.79Å; V396-L400 HydrophobicContact CG1-CG 4.47Å; V396-L400 WeakPolarHBondContact O-CB 3.44Å; V396-L400 VanDerWaalsContact O-CG 3.25Å; V396-L400 WeakPolarHBondContact O-CG 3.37Å; V396-L400 PolarHBondContact O-N 3.05Å; V396-L400 VanDerWaalsContact O-N 3.1Å
397	L	93.7	Very high	91.7	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-61.5	-38.7	175.6	-70.8	171.3	0	0	0	111.9	L376 F379 Y380 K393 L394 L400 A401 F413 Y416	L376-L397 HydrophobicContact CD1-CD2 3.67Å; L376-L397 HydrophobicContact CG-CD2 4.18Å; F379-L397 HydrophobicContact CB-CD2 3.86Å; F379-L397 HydrophobicContact CB-CG 4.12Å; Y380-L397 HydrophobicContact CD1-CD2 4.07Å; Y380-L397 HydrophobicContact CE1-CD2 4.27Å; K393-L397 WeakPolarHBondContact O-CG 3.24Å; K393-L397 PolarHBondContact O-N 2.92Å; L394-L397 PolarHBondContact O-N 3.39Å; L397-L400 PolarHBondContact O-N 2.72Å; L397-A401 PolarHBondContact O-N 3.28Å; L397-F413 HydrophobicContact CB-CE1 4.15Å; L397-F413 HydrophobicContact CB-CZ 4.23Å; L397-F413 HydrophobicContact CD1-CE1 4.25Å; L397-Y416 HydrophobicContact CD1-CE2 4.32Å
398	T	92.1	Very high	91.7	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.018	19%	0.189	C	C	.	.	H	α-helix	trans	-66.2	-40.8	177.7	-51.7	0	0	0	0	111.7	L394 E395 V396 L400 A401 A431 R434	L394-T398 WeakPolarHBondContact O-CB 3.37Å; L394-T398 PolarHBondContact O-N 3.38Å; L394-T398 PolarHBondContact O-OG1 3.3Å; E395-T398 PolarHBondContact O-N 3.39Å; V396-T398 VanDerWaalsContact C-N 3.3Å; V396-T398 PolarHBondContact O-N 2.89Å; T398-L400 VanDerWaalsContact C-N 3.26Å; T398-L400 PolarHBondContact O-N 2.96Å; T398-A401 WeakPolarHBondContact O-CB 3.34Å; T398-A401 PolarHBondContact O-N 3.19Å; T398-A431 HydrophobicContact CG2-CB 4.33Å; T398-A431 VanDerWaalsContact OG1-CB 3.3Å; T398-A431 WeakPolarHBondContact OG1-CB 3.48Å; T398-R434 HydrophobicContact CG2-CB 3.78Å; T398-R434 HydrophobicContact CG2-CG 4.5Å
399	N	90.3	Very high	91.8	Very high	16 Å²	16	29.3 Å²	29.3	9%	0.086	16%	0.164	C	C	.	.	H	α-helix	trans	-73	-16.4	176.5	-68.9	-31.1	0	0	0	113.5	R369 E395 V396	R369-N399 WeakPolarHBondContact CD-O 3.4Å; R369-N399 WeakPolarHBondContact CG-O 3.48Å; E395-N399 PolarHBondContact O-N 3.02Å; E395-N399 PolarHBondContact O-ND2 3.18Å; V396-N399 PolarHBondContact O-N 2.68Å
400	L	90.6	Very high	91.7	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	2	176.1	-67.9	174.4	0	0	0	113.7	T365 R369 F372 L376 F379 V396 L397 T398 N402 N405	T365-L400 HydrophobicContact CG2-CD1 4.46Å; T365-L400 HydrophobicContact CG2-CD2 3.88Å; T365-L400 HydrophobicContact CG2-CG 4.07Å; R369-L400 WeakPolarHBondContact O-CD2 3.13Å; F372-L400 HydrophobicContact CB-CD1 3.9Å; F372-L400 HydrophobicContact CB-CD2 4.09Å; L376-L400 HydrophobicContact CD1-CB 4.03Å; L376-L400 HydrophobicContact CD1-CD1 4.16Å; F379-L400 HydrophobicContact CD2-CD1 4.39Å; V396-L400 HydrophobicContact CG1-CD1 3.79Å; V396-L400 HydrophobicContact CG1-CG 4.47Å; V396-L400 WeakPolarHBondContact O-CB 3.44Å; V396-L400 VanDerWaalsContact O-CG 3.25Å; V396-L400 WeakPolarHBondContact O-CG 3.37Å; V396-L400 PolarHBondContact O-N 3.05Å; V396-L400 VanDerWaalsContact O-N 3.1Å; L397-L400 PolarHBondContact O-N 2.72Å; T398-L400 VanDerWaalsContact C-N 3.26Å; T398-L400 PolarHBondContact O-N 2.96Å; L400-N402 PolarHBondContact O-N 3.26Å; L400-N405 PolarHBondContact O-ND2 3.32Å; L400-N405 PolarHBondContact O-OD1 3.42Å
401	A	90.4	Very high	91.6	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.033	20%	0.196	C	C	.	.			trans	-70.7	116	-179.7	0	0	0	0	0	111.7	L397 T398 N405 I406 I409 I439	L397-A401 PolarHBondContact O-N 3.28Å; T398-A401 WeakPolarHBondContact O-CB 3.34Å; T398-A401 PolarHBondContact O-N 3.19Å; A401-N405 WeakPolarHBondContact CA-OD1 3.31Å; A401-I406 HydrophobicContact CB-CD1 4.21Å; A401-I409 HydrophobicContact CB-CD1 4.2Å; A401-I439 HydrophobicContact CB-CD1 4.46Å
402	N	88.6	Confident	91.6	Very high	43 Å²	43	37.2 Å²	37.2	23%	0.23	19%	0.192	C	C	.	.			trans	-123.4	160	175.9	-64.3	-28.3	0	0	0	109.3	E373 L400 T404 N405 I406	E373-N402 VanDerWaalsContact CD-ND2 3.33Å; E373-N402 PolarHBondContact OE1-ND2 3.19Å; E373-N402 PolarHBondContact OE2-ND2 3.3Å; L400-N402 PolarHBondContact O-N 3.26Å; N402-T404 PolarHBondContact O-N 2.96Å; N402-T404 VanDerWaalsContact O-N 3.12Å; N402-N405 PolarHBondContact N-OD1 3.49Å; N402-N405 PolarHBondContact O-N 3.5Å; N402-N405 PolarHBondContact O-OD1 2.97Å; N402-I406 WeakPolarHBondContact O-CB 3.44Å; N402-I406 PolarHBondContact O-N 3.33Å
403	E	85.9	Confident	91.6	Very high	135 Å²	135	36.7 Å²	36.7	63%	0.631	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-33.2	-178.8	-67.3	169.9	166.7	0	0	113.4	I406 I439	E403-I406 WeakPolarHBondContact O-CG2 3Å; E403-I439 HydrophobicContact CG-CG2 4.05Å
404	T	88.6	Confident	91.4	Very high	117 Å²	117	40.3 Å²	40.3	72%	0.718	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-27.6	177.4	55	0	0	0	0	114.3	N402	N402-T404 PolarHBondContact O-N 2.96Å; N402-T404 VanDerWaalsContact O-N 3.12Å
405	N	90.6	Very high	91.2	Very high	14 Å²	14	44.4 Å²	44.4	8%	0.075	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-18.3	-168.2	73.7	33.1	0	0	0	113.9	E373 L376 L400 A401 N402 S407 T408 I409	E373-N405 PolarHBondContact OE1-ND2 2.92Å; L376-N405 HydrophobicContact CD2-CB 4.45Å; L400-N405 PolarHBondContact O-ND2 3.32Å; L400-N405 PolarHBondContact O-OD1 3.42Å; A401-N405 WeakPolarHBondContact CA-OD1 3.31Å; N402-N405 PolarHBondContact N-OD1 3.49Å; N402-N405 PolarHBondContact O-N 3.5Å; N402-N405 PolarHBondContact O-OD1 2.97Å; N405-S407 VanDerWaalsContact C-N 3.26Å; N405-S407 PolarHBondContact O-N 3.44Å; N405-S407 VanDerWaalsContact O-N 3.15Å; N405-T408 PolarHBondContact O-N 2.77Å; N405-T408 PolarHBondContact O-OG1 2.9Å; N405-I409 PolarHBondContact O-N 3.21Å; N405-I409 WeakPolarHBondContact OD1-CD1 3.48Å
406	I	92	Very high	91.3	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-54.4	-35.8	-175.3	-177.4	60.7	0	0	0	113.8	A401 N402 E403 T408 I409 L410 C435 I439 V442	A401-I406 HydrophobicContact CB-CD1 4.21Å; N402-I406 WeakPolarHBondContact O-CB 3.44Å; N402-I406 PolarHBondContact O-N 3.33Å; E403-I406 WeakPolarHBondContact O-CG2 3Å; I406-T408 VanDerWaalsContact C-N 3.26Å; I406-T408 PolarHBondContact O-N 3.38Å; I406-I409 PolarHBondContact O-N 2.66Å; I406-L410 HydrophobicContact CD1-CD1 3.93Å; I406-L410 HydrophobicContact CD1-CD2 4.18Å; I406-L410 HydrophobicContact CD1-CG 3.7Å; I406-L410 HydrophobicContact CG1-CD1 3.79Å; I406-L410 HydrophobicContact CG1-CG 4.04Å; I406-L410 WeakPolarHBondContact O-CG 3.47Å; I406-L410 PolarHBondContact O-N 3.38Å; I406-C435 HydrophobicContact CD1-CB 3.75Å; I406-I439 HydrophobicContact CB-CD1 3.76Å; I406-I439 HydrophobicContact CD1-CD1 4.18Å; I406-I439 HydrophobicContact CG1-CD1 3.88Å; I406-I439 HydrophobicContact CG2-CD1 4.12Å; I406-V442 HydrophobicContact CG1-CG2 4.19Å; I406-V442 HydrophobicContact CG2-CG2 3.92Å
407	S	90.3	Very high	91.2	Very high	86 Å²	86	46 Å²	46	60%	0.601	24%	0.239	S	C	*	.	H	α-helix	trans	-60.5	-34.6	177.3	58.4	0	0	0	0	112.8	N405	N405-S407 VanDerWaalsContact C-N 3.26Å; N405-S407 PolarHBondContact O-N 3.44Å; N405-S407 VanDerWaalsContact O-N 3.15Å
408	T	91.6	Very high	90.9	Very high	62 Å²	62	52.7 Å²	52.7	38%	0.38	27%	0.269	S	S	.	.	H	α-helix	trans	-78.2	-39.4	176	68.2	0	0	0	0	111.8	N405 I406 R411 E412	N405-T408 PolarHBondContact O-N 2.77Å; N405-T408 PolarHBondContact O-OG1 2.9Å; I406-T408 VanDerWaalsContact C-N 3.26Å; I406-T408 PolarHBondContact O-N 3.38Å; T408-R411 PolarHBondContact O-N 2.77Å; T408-E412 PolarHBondContact O-N 3.21Å
409	I	93.3	Very high	90.7	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-67.5	-41.3	-179.9	-62.2	177.5	0	0	0	111	L376 A401 N405 I406 R411 E412 F413	L376-I409 HydrophobicContact CD1-CD1 4.11Å; L376-I409 HydrophobicContact CD2-CD1 4.29Å; L376-I409 HydrophobicContact CD2-CG1 4.19Å; A401-I409 HydrophobicContact CB-CD1 4.2Å; N405-I409 PolarHBondContact O-N 3.21Å; N405-I409 WeakPolarHBondContact OD1-CD1 3.48Å; I406-I409 PolarHBondContact O-N 2.66Å; I409-R411 VanDerWaalsContact C-N 3.33Å; I409-R411 PolarHBondContact O-N 3.36Å; I409-E412 WeakPolarHBondContact O-CB 3.34Å; I409-E412 PolarHBondContact O-N 3.39Å; I409-F413 HydrophobicContact CG2-CD1 4.05Å; I409-F413 HydrophobicContact CG2-CD2 4.24Å; I409-F413 HydrophobicContact CG2-CE1 3.51Å; I409-F413 HydrophobicContact CG2-CE2 3.76Å; I409-F413 HydrophobicContact CG2-CG 4.4Å; I409-F413 HydrophobicContact CG2-CZ 3.36Å; I409-F413 VanDerWaalsContact O-CD1 3.31Å; I409-F413 WeakPolarHBondContact O-CD1 3.33Å; I409-F413 WeakPolarHBondContact O-CG 3.46Å; I409-F413 PolarHBondContact O-N 3.18Å
410	L	92.1	Very high	90.6	Very high	23 Å²	23	61 Å²	61	12%	0.12	31%	0.312	C	S	.	.	H	α-helix	trans	-67.5	-32	177.4	-70.4	175	0	0	0	112.8	I406 F413 Q414 I432 V442	I406-L410 HydrophobicContact CD1-CD1 3.93Å; I406-L410 HydrophobicContact CD1-CD2 4.18Å; I406-L410 HydrophobicContact CD1-CG 3.7Å; I406-L410 HydrophobicContact CG1-CD1 3.79Å; I406-L410 HydrophobicContact CG1-CG 4.04Å; I406-L410 WeakPolarHBondContact O-CG 3.47Å; I406-L410 PolarHBondContact O-N 3.38Å; L410-F413 HydrophobicContact CD2-CD2 4.17Å; L410-F413 PolarHBondContact O-N 3.5Å; L410-Q414 WeakPolarHBondContact O-CG 3.36Å; L410-Q414 PolarHBondContact O-N 3.09Å; L410-I432 HydrophobicContact CD2-CG1 4.1Å; L410-V442 HydrophobicContact CD1-CB 4.42Å; L410-V442 HydrophobicContact CD1-CG1 3.44Å; L410-V442 VanDerWaalsContact CD1-CG1 3.44Å
411	R	91.3	Very high	90.6	Very high	182 Å²	182	62.5 Å²	62.5	69%	0.687	32%	0.32	S	S	*	.	H	α-helix	trans	-66.7	-37.1	173.6	-172.1	178.4	178.8	179.7	0.2	112.1	T408 I409 T415	T408-R411 PolarHBondContact O-N 2.77Å; I409-R411 VanDerWaalsContact C-N 3.33Å; I409-R411 PolarHBondContact O-N 3.36Å; R411-T415 PolarHBondContact O-N 3.32Å; R411-T415 PolarHBondContact O-OG1 2.81Å
412	E	93.6	Very high	90.5	Very high	54 Å²	54	65.4 Å²	65.4	25%	0.252	33%	0.332	S	S	.	.	H	α-helix	trans	-64.5	-47.6	168.8	-73.2	-72.6	134.4	0	0	110.7	Y380 T408 I409 Q414 T415 Y416	Y380-E412 HydrophobicContact CE1-CG 4.43Å; Y380-E412 HydrophobicContact CE2-CG 4.29Å; T408-E412 PolarHBondContact O-N 3.21Å; I409-E412 WeakPolarHBondContact O-CB 3.34Å; I409-E412 PolarHBondContact O-N 3.39Å; E412-Q414 VanDerWaalsContact C-N 3.34Å; E412-Q414 PolarHBondContact O-N 2.9Å; E412-T415 WeakPolarHBondContact O-CA 3.25Å; E412-T415 VanDerWaalsContact O-CB 3.27Å; E412-T415 WeakPolarHBondContact O-CB 3.37Å; E412-T415 PolarHBondContact O-N 3.31Å; E412-Y416 HydrophobicContact CB-CE1 4.21Å; E412-Y416 HydrophobicContact CB-CE2 4.15Å; E412-Y416 WeakPolarHBondContact O-CD1 3.22Å; E412-Y416 VanDerWaalsContact O-CG 3.3Å; E412-Y416 PolarHBondContact O-N 2.88Å; E412-Y416 WeakPolarHBondContact OE2-CE1 3.48Å; E412-Y416 VanDerWaalsContact OE2-CZ 3.29Å; E412-Y416 PolarHBondContact OE2-OH 3.5Å
413	F	94.3	Very high	90.5	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-62	-36.6	-179.8	-68.3	2	0	0	0	113	L394 L397 I409 L410 T415 Y416 I417 T428 A431 I432	L394-F413 HydrophobicContact CD1-CD1 3.96Å; L394-F413 HydrophobicContact CD1-CE1 3.49Å; L394-F413 VanDerWaalsContact CD1-CE1 3.49Å; L394-F413 HydrophobicContact CD1-CE2 4.38Å; L394-F413 HydrophobicContact CD1-CZ 3.72Å; L397-F413 HydrophobicContact CB-CE1 4.15Å; L397-F413 HydrophobicContact CB-CZ 4.23Å; L397-F413 HydrophobicContact CD1-CE1 4.25Å; I409-F413 HydrophobicContact CG2-CD1 4.05Å; I409-F413 HydrophobicContact CG2-CD2 4.24Å; I409-F413 HydrophobicContact CG2-CE1 3.51Å; I409-F413 HydrophobicContact CG2-CE2 3.76Å; I409-F413 HydrophobicContact CG2-CG 4.4Å; I409-F413 HydrophobicContact CG2-CZ 3.36Å; I409-F413 VanDerWaalsContact O-CD1 3.31Å; I409-F413 WeakPolarHBondContact O-CD1 3.33Å; I409-F413 WeakPolarHBondContact O-CG 3.46Å; I409-F413 PolarHBondContact O-N 3.18Å; L410-F413 HydrophobicContact CD2-CD2 4.17Å; L410-F413 PolarHBondContact O-N 3.5Å; F413-T415 PolarHBondContact O-N 3.25Å; F413-Y416 AromaticContact CD1-CD2 3.81Å; F413-Y416 HydrophobicContact CD1-CD2 3.81Å; F413-Y416 AromaticContact CD1-CE2 3.91Å; F413-Y416 HydrophobicContact CD1-CE2 3.91Å; F413-Y416 HydrophobicContact CE1-CD2 4.45Å; F413-Y416 HydrophobicContact CE1-CE2 4.28Å; F413-Y416 PolarHBondContact O-N 3.44Å; F413-Y416 VanDerWaalsContact O-N 3.13Å; F413-I417 WeakPolarHBondContact O-CG1 3.49Å; F413-I417 PolarHBondContact O-N 3.32Å; F413-T428 HydrophobicContact CB-CG2 3.87Å; F413-T428 HydrophobicContact CG-CG2 4.18Å; F413-A431 HydrophobicContact CD2-CB 4.43Å; F413-A431 HydrophobicContact CE2-CB 3.79Å; F413-A431 HydrophobicContact CZ-CB 4.2Å; F413-I432 HydrophobicContact CB-CD1 4.22Å; F413-I432 HydrophobicContact CB-CG1 4.19Å; F413-I432 HydrophobicContact CD2-CG1 3.76Å; F413-I432 HydrophobicContact CG-CG1 4.47Å
414	Q	90.4	Very high	90.9	Very high	80 Å²	80	62.6 Å²	62.6	37%	0.374	32%	0.321	S	S	.	.	H	α-helix	trans	-57.7	-36.8	170.1	-77.5	173.9	-14	0	0	112.5	L410 E412	L410-Q414 WeakPolarHBondContact O-CG 3.36Å; L410-Q414 PolarHBondContact O-N 3.09Å; E412-Q414 VanDerWaalsContact C-N 3.34Å; E412-Q414 PolarHBondContact O-N 2.9Å
415	T	90.9	Very high	91.1	Very high	91 Å²	91	57 Å²	57	56%	0.558	29%	0.287	S	S	*	.	H	α-helix	trans	-72.1	-38.3	174.9	-54.4	0	0	0	0	111.1	R411 E412 F413 I417 K418	R411-T415 PolarHBondContact O-N 3.32Å; R411-T415 PolarHBondContact O-OG1 2.81Å; E412-T415 WeakPolarHBondContact O-CA 3.25Å; E412-T415 VanDerWaalsContact O-CB 3.27Å; E412-T415 WeakPolarHBondContact O-CB 3.37Å; E412-T415 PolarHBondContact O-N 3.31Å; F413-T415 PolarHBondContact O-N 3.25Å; T415-I417 PolarHBondContact O-N 2.88Å; T415-K418 PolarHBondContact O-N 3.26Å
416	Y	93.3	Very high	91.1	Very high	14 Å²	14	57.3 Å²	57.3	6%	0.055	29%	0.292	C	S	.	.	H	α-helix	trans	-67.5	-32.8	-179.2	-59.5	-8.8	0	0	0	112.7	I381 L394 L397 E412 F413 K418 S419 F424	I381-Y416 HydrophobicContact CB-CE1 4.14Å; I381-Y416 HydrophobicContact CB-CE2 4.09Å; I381-Y416 HydrophobicContact CD1-CD2 3.99Å; I381-Y416 HydrophobicContact CD1-CE2 3.65Å; I381-Y416 HydrophobicContact CG1-CE2 3.95Å; I381-Y416 PolarHBondContact N-OH 3.26Å; L394-Y416 HydrophobicContact CD1-CD2 4.41Å; L397-Y416 HydrophobicContact CD1-CE2 4.32Å; E412-Y416 HydrophobicContact CB-CE1 4.21Å; E412-Y416 HydrophobicContact CB-CE2 4.15Å; E412-Y416 WeakPolarHBondContact O-CD1 3.22Å; E412-Y416 VanDerWaalsContact O-CG 3.3Å; E412-Y416 PolarHBondContact O-N 2.88Å; E412-Y416 WeakPolarHBondContact OE2-CE1 3.48Å; E412-Y416 VanDerWaalsContact OE2-CZ 3.29Å; E412-Y416 PolarHBondContact OE2-OH 3.5Å; F413-Y416 AromaticContact CD1-CD2 3.81Å; F413-Y416 HydrophobicContact CD1-CD2 3.81Å; F413-Y416 AromaticContact CD1-CE2 3.91Å; F413-Y416 HydrophobicContact CD1-CE2 3.91Å; F413-Y416 HydrophobicContact CE1-CD2 4.45Å; F413-Y416 HydrophobicContact CE1-CE2 4.28Å; F413-Y416 PolarHBondContact O-N 3.44Å; F413-Y416 VanDerWaalsContact O-N 3.13Å; Y416-K418 PolarHBondContact O-N 3.2Å; Y416-S419 VanDerWaalsContact O-CB 3.27Å; Y416-S419 WeakPolarHBondContact O-CB 3.25Å; Y416-S419 PolarHBondContact O-N 3.37Å; Y416-S419 VanDerWaalsContact O-N 3.15Å; Y416-S419 PolarHBondContact O-OG 2.77Å; Y416-F424 AromaticContact CD2-CZ 3.81Å; Y416-F424 HydrophobicContact CD2-CZ 3.81Å; Y416-F424 HydrophobicContact CG-CE1 4.17Å; Y416-F424 AromaticContact CG-CZ 3.77Å; Y416-F424 HydrophobicContact CG-CZ 3.77Å
417	I	90.4	Very high	91.1	Very high	31 Å²	31	58.3 Å²	58.3	16%	0.159	30%	0.3	C	S	.	.	H	α-helix	trans	-59.8	-30.9	172.6	-70.3	160.3	0	0	0	112.4	F413 T415 S419 V425 T428 I432 L453	F413-I417 WeakPolarHBondContact O-CG1 3.49Å; F413-I417 PolarHBondContact O-N 3.32Å; T415-I417 PolarHBondContact O-N 2.88Å; I417-S419 PolarHBondContact O-N 3.29Å; I417-V425 HydrophobicContact CG2-CG1 4.27Å; I417-V425 WeakPolarHBondContact O-CG2 3.19Å; I417-T428 HydrophobicContact CG1-CG2 4.01Å; I417-I432 HydrophobicContact CD1-CD1 3.63Å; I417-L453 HydrophobicContact CD1-CD1 4.06Å; I417-L453 HydrophobicContact CG2-CD1 4.49Å; I417-L453 HydrophobicContact CG2-CD2 3.95Å
418	K	88.3	Confident	91.3	Very high	143 Å²	143	54.2 Å²	54.2	62%	0.622	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	7.2	178.7	-60.7	-168.7	178.6	-168.1	0	113.9	T415 Y416	T415-K418 PolarHBondContact O-N 3.26Å; Y416-K418 PolarHBondContact O-N 3.2Å
419	S	88.3	Confident	91.4	Very high	32 Å²	32	51.2 Å²	51.2	22%	0.224	25%	0.254	C	S	.	.	S	Bend	trans	-81.9	161.1	-179	71.7	0	0	0	0	113.5	Y416 I417 D421 F424 V425	Y416-S419 VanDerWaalsContact O-CB 3.27Å; Y416-S419 WeakPolarHBondContact O-CB 3.25Å; Y416-S419 PolarHBondContact O-N 3.37Å; Y416-S419 VanDerWaalsContact O-N 3.15Å; Y416-S419 PolarHBondContact O-OG 2.77Å; I417-S419 PolarHBondContact O-N 3.29Å; S419-D421 VanDerWaalsContact C-N 3.32Å; S419-F424 WeakPolarHBondContact OG-CD1 3.44Å; S419-V425 WeakPolarHBondContact OG-CG2 3.27Å
420	M	87.4	Confident	91.3	Very high	161 Å²	161	52.4 Å²	52.4	79%	0.793	26%	0.259	S	S	*	.	S	Bend	trans	-76.6	-18.8	-178.5	-58.6	-62.8	101.2	0	0	113.4	K422	M420-K422 PolarHBondContact O-N 3.47Å
421	D	90.1	Very high	91.3	Very high	33 Å²	33	51.4 Å²	51.4	18%	0.176	25%	0.254	C	S	.	.			trans	-85.7	96.1	-172.6	-177.9	-22.8	0	0	0	110	T387 S419 D423 F424 V425	T387-D421 WeakPolarHBondContact CB-OD2 3.47Å; T387-D421 WeakPolarHBondContact CG2-OD2 3.48Å; T387-D421 PolarHBondContact OG1-OD2 2.98Å; S419-D421 VanDerWaalsContact C-N 3.32Å; D421-D423 VanDerWaalsContact C-N 3.32Å; D421-D423 PolarHBondContact O-N 3.12Å; D421-F424 HydrophobicContact CB-CB 3.95Å; D421-F424 VanDerWaalsContact CG-CB 3.44Å; D421-F424 PolarHBondContact O-N 3.34Å; D421-F424 WeakPolarHBondContact OD1-CB 3.5Å; D421-F424 PolarHBondContact OD1-N 3.28Å; D421-F424 VanDerWaalsContact OD1-N 3.08Å; D421-V425 WeakPolarHBondContact O-CG2 3.39Å; D421-V425 PolarHBondContact O-N 2.87Å
422	K	89.2	Confident	91.4	Very high	66 Å²	66	43.4 Å²	43.4	29%	0.287	23%	0.225	S	C	.	.	H	α-helix	trans	-66.6	-31.4	-170.6	-55.2	-56.8	-179.4	-178.3	0	113.3	M420 V425 A426 D458 L460	M420-K422 PolarHBondContact O-N 3.47Å; K422-V425 PolarHBondContact O-N 2.99Å; K422-A426 WeakPolarHBondContact O-CB 3.39Å; K422-A426 PolarHBondContact O-N 3.28Å; K422-D458 WeakPolarHBondContact CE-OD1 3.16Å; K422-D458 IonicContact NZ-OD1 3.22Å; K422-D458 PolarHBondContact NZ-OD1 3.36Å; K422-D458 VanDerWaalsContact NZ-OD1 3.15Å; K422-D458 IonicContact NZ-OD2 3.39Å; K422-D458 PolarHBondContact NZ-OD2 3.46Å; K422-L460 HydrophobicContact CB-CD1 4.13Å
423	D	89.3	Confident	91.2	Very high	115 Å²	115	40.9 Å²	40.9	62%	0.615	21%	0.213	S	C	*	.	H	α-helix	trans	-68.4	-41	175.7	-64.8	-29.8	0	0	0	110.9	D421 A426 A427	D421-D423 VanDerWaalsContact C-N 3.32Å; D421-D423 PolarHBondContact O-N 3.12Å; D423-A426 PolarHBondContact O-N 2.93Å; D423-A427 WeakPolarHBondContact O-CB 3.38Å; D423-A427 PolarHBondContact O-N 2.93Å
424	F	93.5	Very high	91	Very high	3 Å²	3	42 Å²	42	1%	0.013	22%	0.217	C	C	.	.	H	α-helix	trans	-67.2	-36.1	172.7	172.7	-119.6	0	0	0	112.9	I381 K390 I391 L394 Y416 S419 D421 A427 T428	I381-F424 HydrophobicContact CB-CZ 4.49Å; I381-F424 HydrophobicContact CD1-CE2 3.52Å; I381-F424 HydrophobicContact CD1-CZ 3.54Å; I381-F424 HydrophobicContact CG2-CE1 4.48Å; I381-F424 HydrophobicContact CG2-CZ 4.01Å; K390-F424 HydrophobicContact CB-CD2 3.61Å; K390-F424 HydrophobicContact CB-CE2 3.75Å; K390-F424 HydrophobicContact CB-CG 4.06Å; K390-F424 HydrophobicContact CB-CZ 4.28Å; K390-F424 HydrophobicContact CD-CD1 3.78Å; K390-F424 HydrophobicContact CD-CD2 4.34Å; K390-F424 HydrophobicContact CD-CE1 3.97Å; K390-F424 HydrophobicContact CD-CG 3.98Å; K390-F424 HydrophobicContact CD-CZ 4.34Å; I391-F424 HydrophobicContact CG1-CD2 4.49Å; L394-F424 HydrophobicContact CB-CE2 4.27Å; L394-F424 HydrophobicContact CD2-CD2 4.36Å; L394-F424 HydrophobicContact CD2-CE2 4.09Å; Y416-F424 AromaticContact CD2-CZ 3.81Å; Y416-F424 HydrophobicContact CD2-CZ 3.81Å; Y416-F424 HydrophobicContact CG-CE1 4.17Å; Y416-F424 AromaticContact CG-CZ 3.77Å; Y416-F424 HydrophobicContact CG-CZ 3.77Å; S419-F424 WeakPolarHBondContact OG-CD1 3.44Å; D421-F424 HydrophobicContact CB-CB 3.95Å; D421-F424 VanDerWaalsContact CG-CB 3.44Å; D421-F424 PolarHBondContact O-N 3.34Å; D421-F424 WeakPolarHBondContact OD1-CB 3.5Å; D421-F424 PolarHBondContact OD1-N 3.28Å; D421-F424 VanDerWaalsContact OD1-N 3.08Å; F424-A427 PolarHBondContact O-N 3.34Å; F424-T428 WeakPolarHBondContact O-CB 3.38Å; F424-T428 PolarHBondContact O-N 2.93Å; F424-T428 PolarHBondContact O-OG1 2.88Å
425	V	93.1	Very high	91	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	20%	0.2	C	C	.	.	H	α-helix	trans	-65.1	-44.2	173.1	173.9	0	0	0	0	111.3	I417 S419 D421 K422 A427 T428 I429 V461	I417-V425 HydrophobicContact CG2-CG1 4.27Å; I417-V425 WeakPolarHBondContact O-CG2 3.19Å; S419-V425 WeakPolarHBondContact OG-CG2 3.27Å; D421-V425 WeakPolarHBondContact O-CG2 3.39Å; D421-V425 PolarHBondContact O-N 2.87Å; K422-V425 PolarHBondContact O-N 2.99Å; V425-A427 PolarHBondContact O-N 2.96Å; V425-T428 WeakPolarHBondContact O-CB 3.43Å; V425-T428 PolarHBondContact O-N 3.21Å; V425-T428 VanDerWaalsContact O-N 3.1Å; V425-I429 HydrophobicContact CG1-CD1 3.93Å; V425-I429 WeakPolarHBondContact O-CG1 3.35Å; V425-I429 PolarHBondContact O-N 3.3Å; V425-V461 HydrophobicContact CG1-CG2 3.81Å
426	A	90.6	Very high	90.9	Very high	20 Å²	20	34 Å²	34	17%	0.165	17%	0.174	C	C	.	.	H	α-helix	trans	-60	-45.6	175.1	0	0	0	0	0	111.7	K422 D423 T428 I429 Q430 E464	K422-A426 WeakPolarHBondContact O-CB 3.39Å; K422-A426 PolarHBondContact O-N 3.28Å; D423-A426 PolarHBondContact O-N 2.93Å; A426-T428 VanDerWaalsContact C-N 3.27Å; A426-T428 PolarHBondContact O-N 3.44Å; A426-I429 PolarHBondContact O-N 3.13Å; A426-I429 VanDerWaalsContact O-N 3.15Å; A426-Q430 PolarHBondContact O-N 3.49Å; A426-Q430 VanDerWaalsContact O-N 3.09Å; A426-E464 HydrophobicContact CB-CB 4.37Å; A426-E464 HydrophobicContact CB-CG 4.11Å
427	A	91.9	Very high	90.6	Very high	26 Å²	26	34.3 Å²	34.3	22%	0.215	18%	0.177	C	C	.	.	H	α-helix	trans	-58.6	-38.5	173.1	0	0	0	0	0	112.3	I391 L394 D423 F424 V425 I429 Q430 A431	I391-A427 HydrophobicContact CG1-CB 4.3Å; L394-A427 VanDerWaalsContact CD2-C 3.45Å; L394-A427 HydrophobicContact CD2-CB 3.71Å; D423-A427 WeakPolarHBondContact O-CB 3.38Å; D423-A427 PolarHBondContact O-N 2.93Å; F424-A427 PolarHBondContact O-N 3.34Å; V425-A427 PolarHBondContact O-N 2.96Å; A427-I429 VanDerWaalsContact C-N 3.34Å; A427-I429 PolarHBondContact O-N 3.45Å; A427-Q430 PolarHBondContact O-N 2.91Å; A427-A431 PolarHBondContact O-N 3.02Å
428	T	94.6	Very high	90.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.4	-36.5	177.4	-57.6	0	0	0	0	111.8	L394 F413 I417 F424 V425 A426 A431 I432	L394-T428 HydrophobicContact CD1-CG2 4.4Å; F413-T428 HydrophobicContact CB-CG2 3.87Å; F413-T428 HydrophobicContact CG-CG2 4.18Å; I417-T428 HydrophobicContact CG1-CG2 4.01Å; F424-T428 WeakPolarHBondContact O-CB 3.38Å; F424-T428 PolarHBondContact O-N 2.93Å; F424-T428 PolarHBondContact O-OG1 2.88Å; V425-T428 WeakPolarHBondContact O-CB 3.43Å; V425-T428 PolarHBondContact O-N 3.21Å; V425-T428 VanDerWaalsContact O-N 3.1Å; A426-T428 VanDerWaalsContact C-N 3.27Å; A426-T428 PolarHBondContact O-N 3.44Å; T428-A431 WeakPolarHBondContact O-CB 3.24Å; T428-A431 PolarHBondContact O-N 3.46Å; T428-I432 HydrophobicContact CG2-CD1 4.47Å; T428-I432 WeakPolarHBondContact O-CG1 3.27Å; T428-I432 PolarHBondContact O-N 2.77Å
429	I	93.4	Very high	90.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67.2	-41.2	176	-71.3	160.4	0	0	0	111.1	V425 A426 A427 I432 G433 L450 L453 V461 E464 V468	V425-I429 HydrophobicContact CG1-CD1 3.93Å; V425-I429 WeakPolarHBondContact O-CG1 3.35Å; V425-I429 PolarHBondContact O-N 3.3Å; A426-I429 PolarHBondContact O-N 3.13Å; A426-I429 VanDerWaalsContact O-N 3.15Å; A427-I429 VanDerWaalsContact C-N 3.34Å; A427-I429 PolarHBondContact O-N 3.45Å; I429-I432 PolarHBondContact O-N 3.15Å; I429-G433 PolarHBondContact O-N 3.3Å; I429-L450 HydrophobicContact CG2-CD2 3.83Å; I429-L453 HydrophobicContact CD1-CD1 4.19Å; I429-L453 HydrophobicContact CG1-CD1 4.08Å; I429-V461 HydrophobicContact CD1-CG1 3.91Å; I429-E464 HydrophobicContact CB-CG 4.37Å; I429-E464 HydrophobicContact CG2-CB 4.17Å; I429-E464 HydrophobicContact CG2-CG 4.08Å; I429-V468 HydrophobicContact CG2-CB 4.41Å; I429-V468 HydrophobicContact CG2-CG2 3.94Å
430	Q	91.3	Very high	90.2	Very high	25 Å²	25	31.1 Å²	31.1	12%	0.117	17%	0.174	C	C	.	.	H	α-helix	trans	-64	-39.6	171.2	-70.1	-69.4	-7.6	0	0	112.5	A426 A427 I432 G433 R434 E464 V468	A426-Q430 PolarHBondContact O-N 3.49Å; A426-Q430 VanDerWaalsContact O-N 3.09Å; A427-Q430 PolarHBondContact O-N 2.91Å; Q430-I432 PolarHBondContact O-N 2.78Å; Q430-G433 CarbonylContact O-C 3.43Å; Q430-G433 WeakPolarHBondContact O-CA 3.46Å; Q430-G433 PolarHBondContact O-N 3.13Å; Q430-G433 VanDerWaalsContact O-N 3.09Å; Q430-R434 PolarHBondContact O-N 3.08Å; Q430-E464 HydrophobicContact CG-CG 4.08Å; Q430-E464 WeakPolarHBondContact CG-OE1 3.31Å; Q430-E464 VanDerWaalsContact NE2-CD 3.3Å; Q430-E464 PolarHBondContact NE2-OE1 3.47Å; Q430-V468 HydrophobicContact CG-CG2 4.34Å
431	A	92.3	Very high	90.2	Very high	2 Å²	2	30.9 Å²	30.9	2%	0.017	17%	0.171	C	C	.	.	H	α-helix	trans	-59.7	-44.8	175.2	0	0	0	0	0	112.2	L394 T398 F413 A427 T428 G433 R434 C435	L394-A431 HydrophobicContact CD1-CB 3.92Å; L394-A431 HydrophobicContact CD2-CB 4.27Å; L394-A431 HydrophobicContact CG-CB 4Å; T398-A431 HydrophobicContact CG2-CB 4.33Å; T398-A431 VanDerWaalsContact OG1-CB 3.3Å; T398-A431 WeakPolarHBondContact OG1-CB 3.48Å; F413-A431 HydrophobicContact CD2-CB 4.43Å; F413-A431 HydrophobicContact CE2-CB 3.79Å; F413-A431 HydrophobicContact CZ-CB 4.2Å; A427-A431 PolarHBondContact O-N 3.02Å; T428-A431 WeakPolarHBondContact O-CB 3.24Å; T428-A431 PolarHBondContact O-N 3.46Å; A431-G433 VanDerWaalsContact C-N 3.28Å; A431-G433 PolarHBondContact O-N 3.36Å; A431-R434 PolarHBondContact O-N 2.93Å; A431-C435 PolarHBondContact O-N 3.08Å; A431-C435 PolarHBondContact O-SG 2.88Å; A431-C435 VanDerWaalsContact O-SG 3.39Å
432	I	92.8	Very high	90.1	Very high	15 Å²	15	30.6 Å²	30.6	8%	0.077	17%	0.171	C	C	.	.	H	α-helix	trans	-58.3	-41.4	172	-67.9	166.1	0	0	0	110.8	L410 F413 I417 T428 I429 Q430 C435 A436 C446 L450	L410-I432 HydrophobicContact CD2-CG1 4.1Å; F413-I432 HydrophobicContact CB-CD1 4.22Å; F413-I432 HydrophobicContact CB-CG1 4.19Å; F413-I432 HydrophobicContact CD2-CG1 3.76Å; F413-I432 HydrophobicContact CG-CG1 4.47Å; I417-I432 HydrophobicContact CD1-CD1 3.63Å; T428-I432 HydrophobicContact CG2-CD1 4.47Å; T428-I432 WeakPolarHBondContact O-CG1 3.27Å; T428-I432 PolarHBondContact O-N 2.77Å; I429-I432 PolarHBondContact O-N 3.15Å; Q430-I432 PolarHBondContact O-N 2.78Å; I432-C435 PolarHBondContact O-N 3.39Å; I432-A436 WeakPolarHBondContact O-CB 3.3Å; I432-A436 PolarHBondContact O-N 3.42Å; I432-C446 HydrophobicContact CG2-CB 3.92Å; I432-L450 HydrophobicContact CG2-CD1 4.44Å; I432-L450 HydrophobicContact CG2-CD2 4.44Å; I432-L450 HydrophobicContact CG2-CG 4.41Å
433	G	90.5	Very high	90	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.4	-45.8	173.9	0	0	0	0	0	114	I429 Q430 A431 A436 T437	I429-G433 PolarHBondContact O-N 3.3Å; Q430-G433 CarbonylContact O-C 3.43Å; Q430-G433 WeakPolarHBondContact O-CA 3.46Å; Q430-G433 PolarHBondContact O-N 3.13Å; Q430-G433 VanDerWaalsContact O-N 3.09Å; A431-G433 VanDerWaalsContact C-N 3.28Å; A431-G433 PolarHBondContact O-N 3.36Å; G433-A436 PolarHBondContact O-N 3.32Å; G433-T437 PolarHBondContact O-N 2.69Å; G433-T437 PolarHBondContact O-OG1 3.29Å
434	R	89.3	Confident	89.9	Confident	24 Å²	24	27.1 Å²	27.1	9%	0.091	15%	0.153	C	C	.	.	H	α-helix	trans	-63.5	-45.3	175.2	-63.8	-166.8	-171.5	123.1	14.7	111.5	E395 T398 Q430 A431 A436 T437 N438 L611 E612	E395-R434 IonicContact OE1-CZ 3.57Å; E395-R434 IonicContact OE1-NH1 3.6Å; E395-R434 PolarHBondContact OE1-NH1 3.38Å; E395-R434 IonicContact OE2-CZ 2.68Å; E395-R434 IonicContact OE2-NH1 2.66Å; E395-R434 PolarHBondContact OE2-NH1 3.23Å; T398-R434 HydrophobicContact CG2-CB 3.78Å; T398-R434 HydrophobicContact CG2-CG 4.5Å; Q430-R434 PolarHBondContact O-N 3.08Å; A431-R434 PolarHBondContact O-N 2.93Å; R434-A436 PolarHBondContact O-N 3.23Å; R434-T437 WeakPolarHBondContact O-CB 3.2Å; R434-T437 PolarHBondContact O-N 3.15Å; R434-T437 VanDerWaalsContact O-N 3.1Å; R434-N438 PolarHBondContact O-N 2.82Å; R434-L611 HydrophobicContact CG-CB 4.29Å; R434-L611 WeakPolarHBondContact CG-O 3.4Å; R434-E612 PolarHBondContact NE-O 2.88Å; R434-E612 PolarHBondContact NH2-O 3.26Å
435	C	90.4	Very high	89.6	Confident	2 Å²	2	31 Å²	31	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-58.1	-46.3	175.9	-69.8	0	0	0	0	112.3	I406 A431 I432 T437 N438 I439	I406-C435 HydrophobicContact CD1-CB 3.75Å; A431-C435 PolarHBondContact O-N 3.08Å; A431-C435 PolarHBondContact O-SG 2.88Å; A431-C435 VanDerWaalsContact O-SG 3.39Å; I432-C435 PolarHBondContact O-N 3.39Å; C435-T437 PolarHBondContact O-N 3.05Å; C435-N438 PolarHBondContact O-N 2.86Å; C435-I439 PolarHBondContact O-N 2.95Å
436	A	89.6	Confident	89.4	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-69.9	-17.4	177.1	0	0	0	0	0	114.1	I432 G433 R434 R443 C446 L472	I432-A436 WeakPolarHBondContact O-CB 3.3Å; I432-A436 PolarHBondContact O-N 3.42Å; G433-A436 PolarHBondContact O-N 3.32Å; R434-A436 PolarHBondContact O-N 3.23Å; A436-R443 HydrophobicContact CB-CG 4.42Å; A436-R443 PolarHBondContact O-NE 2.92Å; A436-R443 PolarHBondContact O-NH2 3.01Å; A436-C446 HydrophobicContact CB-CB 3.7Å; A436-L472 HydrophobicContact CB-CD1 3.92Å; A436-L472 HydrophobicContact CB-CD2 3.82Å
437	T	87.4	Confident	89.3	Confident	22 Å²	22	30.5 Å²	30.5	14%	0.135	17%	0.172	C	C	.	.	H	α-helix	trans	-79.7	-52.4	170.9	-55.5	0	0	0	0	109.7	G433 R434 C435 R443 L472 M475 L611	G433-T437 PolarHBondContact O-N 2.69Å; G433-T437 PolarHBondContact O-OG1 3.29Å; R434-T437 WeakPolarHBondContact O-CB 3.2Å; R434-T437 PolarHBondContact O-N 3.15Å; R434-T437 VanDerWaalsContact O-N 3.1Å; C435-T437 PolarHBondContact O-N 3.05Å; T437-R443 PolarHBondContact O-NH2 3.37Å; T437-R443 VanDerWaalsContact O-NH2 3.16Å; T437-L472 WeakPolarHBondContact OG1-CD2 3.27Å; T437-M475 HydrophobicContact CG2-CE 4.42Å; T437-L611 HydrophobicContact CG2-CB 4.43Å; T437-L611 VanDerWaalsContact OG1-CD1 3.32Å; T437-L611 WeakPolarHBondContact OG1-CD1 3.46Å
438	N	85.6	Confident	89.1	Confident	89 Å²	89	33.4 Å²	33.4	48%	0.476	18%	0.184	S	C	.	.	H	α-helix	trans	-68.4	-40.4	-175.7	-68.1	-13.5	0	0	0	113.8	R434 C435	R434-N438 PolarHBondContact O-N 2.82Å; C435-N438 PolarHBondContact O-N 2.86Å
439	I	88.2	Confident	88.7	Confident	9 Å²	9	34.4 Å²	34.4	5%	0.046	19%	0.194	C	C	.	.			trans	-109.5	116.9	-175.8	-60.5	172.8	0	0	0	108.8	A401 E403 I406 C435 V442	A401-I439 HydrophobicContact CB-CD1 4.46Å; E403-I439 HydrophobicContact CG-CG2 4.05Å; I406-I439 HydrophobicContact CB-CD1 3.76Å; I406-I439 HydrophobicContact CD1-CD1 4.18Å; I406-I439 HydrophobicContact CG1-CD1 3.88Å; I406-I439 HydrophobicContact CG2-CD1 4.12Å; C435-I439 PolarHBondContact O-N 2.95Å; I439-V442 HydrophobicContact CG2-CG2 4.01Å
440	G	84.4	Confident	88.6	Confident	40 Å²	40	34.5 Å²	34.5	41%	0.412	20%	0.195	S	C	.	.	S	Bend	trans	-68.4	-41	-174	0	0	0	0	0	114.2	V442 R443	G440-V442 PolarHBondContact O-N 2.84Å; G440-R443 WeakPolarHBondContact O-CB 3.39Å; G440-R443 PolarHBondContact O-N 2.9Å
441	E	87.1	Confident	88.3	Confident	157 Å²	157	34.2 Å²	34.2	73%	0.734	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-37.9	-170.2	-56	-166.4	134.4	0	0	113.6
442	V	87.5	Confident	88	Confident	27 Å²	27	38.4 Å²	38.4	16%	0.164	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-2.5	-171.9	-156.7	0	0	0	0	112.5	I406 L410 I439 G440 D444 T445 C446	I406-V442 HydrophobicContact CG1-CG2 4.19Å; I406-V442 HydrophobicContact CG2-CG2 3.92Å; L410-V442 HydrophobicContact CD1-CB 4.42Å; L410-V442 HydrophobicContact CD1-CG1 3.44Å; L410-V442 VanDerWaalsContact CD1-CG1 3.44Å; I439-V442 HydrophobicContact CG2-CG2 4.01Å; G440-V442 PolarHBondContact O-N 2.84Å; V442-D444 VanDerWaalsContact C-N 3.32Å; V442-D444 PolarHBondContact O-N 3.48Å; V442-T445 WeakPolarHBondContact O-CB 3.43Å; V442-T445 PolarHBondContact O-N 2.95Å; V442-C446 PolarHBondContact O-N 2.88Å; V442-C446 PolarHBondContact O-SG 3.39Å; V442-C446 VanDerWaalsContact O-SG 3.41Å
443	R	87.3	Confident	87.7	Confident	29 Å²	29	39 Å²	39	11%	0.109	22%	0.217	C	C	.	.	H	α-helix	trans	-56	-44.1	-175.4	-176.1	177.3	-61.5	131.6	3.4	112.8	A436 T437 G440 C446 L447	A436-R443 HydrophobicContact CB-CG 4.42Å; A436-R443 PolarHBondContact O-NE 2.92Å; A436-R443 PolarHBondContact O-NH2 3.01Å; T437-R443 PolarHBondContact O-NH2 3.37Å; T437-R443 VanDerWaalsContact O-NH2 3.16Å; G440-R443 WeakPolarHBondContact O-CB 3.39Å; G440-R443 PolarHBondContact O-N 2.9Å; R443-C446 PolarHBondContact O-N 2.78Å; R443-L447 HydrophobicContact CG-CD1 4.18Å; R443-L447 WeakPolarHBondContact O-CB 3.45Å; R443-L447 WeakPolarHBondContact O-CG 3.27Å; R443-L447 PolarHBondContact O-N 3.34Å
444	D	86.4	Confident	87.3	Confident	79 Å²	79	39.4 Å²	39.4	42%	0.422	22%	0.219	S	C	.	.	H	α-helix	trans	-72.1	-35.7	-176.4	-66.6	0.1	0	0	0	111.3	V442 L447 N448 H480	V442-D444 VanDerWaalsContact C-N 3.32Å; V442-D444 PolarHBondContact O-N 3.48Å; D444-L447 PolarHBondContact O-N 2.93Å; D444-N448 WeakPolarHBondContact O-CB 3.34Å; D444-N448 PolarHBondContact O-N 2.62Å; D444-N448 PolarHBondContact O-ND2 2.8Å; D444-H480 IonicContact OD1-CE1 3.61Å; D444-H480 PolarHBondContact OD1-CE1 3.17Å; D444-H480 VanDerWaalsContact OD1-CE1 3.28Å; D444-H480 IonicContact OD1-NE2 3.79Å
445	T	87.6	Confident	87	Confident	85 Å²	85	42.6 Å²	42.6	52%	0.521	25%	0.245	S	C	.	.	H	α-helix	trans	-63.3	-46.4	171.6	-41.7	0	0	0	0	111	V442 N448 G449	V442-T445 WeakPolarHBondContact O-CB 3.43Å; V442-T445 PolarHBondContact O-N 2.95Å; T445-N448 PolarHBondContact O-N 3.29Å; T445-G449 PolarHBondContact O-N 3Å
446	C	89.9	Confident	86.7	Confident	10 Å²	10	44.9 Å²	44.9	7%	0.068	26%	0.257	C	S	.	.	H	α-helix	trans	-63.3	-43.8	176.4	-70.6	0	0	0	0	112.1	I432 A436 V442 R443 G449 L450	I432-C446 HydrophobicContact CG2-CB 3.92Å; A436-C446 HydrophobicContact CB-CB 3.7Å; V442-C446 PolarHBondContact O-N 2.88Å; V442-C446 PolarHBondContact O-SG 3.39Å; V442-C446 VanDerWaalsContact O-SG 3.41Å; R443-C446 PolarHBondContact O-N 2.78Å; C446-G449 PolarHBondContact O-N 3.21Å; C446-L450 WeakPolarHBondContact O-CB 3.33Å; C446-L450 VanDerWaalsContact O-CG 3.24Å; C446-L450 WeakPolarHBondContact O-CG 3.36Å; C446-L450 PolarHBondContact O-N 3.09Å
447	L	88	Confident	86.2	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.1	-47.2	176	-83.4	170.7	0	0	0	111.8	R443 D444 G449 L450 V451 I469 L472 L473 I483	R443-L447 HydrophobicContact CG-CD1 4.18Å; R443-L447 WeakPolarHBondContact O-CB 3.45Å; R443-L447 WeakPolarHBondContact O-CG 3.27Å; R443-L447 PolarHBondContact O-N 3.34Å; D444-L447 PolarHBondContact O-N 2.93Å; L447-G449 PolarHBondContact O-N 2.84Å; L447-L450 PolarHBondContact O-N 3.29Å; L447-V451 VanDerWaalsContact O-CG2 3.28Å; L447-V451 WeakPolarHBondContact O-CG2 3.19Å; L447-V451 PolarHBondContact O-N 3.42Å; L447-I469 HydrophobicContact CD2-CG2 4.36Å; L447-L472 HydrophobicContact CD2-CB 3.84Å; L447-L472 HydrophobicContact CD2-CD1 3.86Å; L447-L472 HydrophobicContact CG-CD1 4.19Å; L447-L473 HydrophobicContact CD2-CD2 4.45Å; L447-I483 HydrophobicContact CB-CD1 4.05Å; L447-I483 HydrophobicContact CD1-CD1 4.37Å
448	N	86.6	Confident	86	Confident	87 Å²	87	58 Å²	58	47%	0.465	31%	0.309	S	S	.	.	H	α-helix	trans	-63.6	-40.9	177.7	-73.5	-40.2	0	0	0	112.2	D444 T445 V451 Q452	D444-N448 WeakPolarHBondContact O-CB 3.34Å; D444-N448 PolarHBondContact O-N 2.62Å; D444-N448 PolarHBondContact O-ND2 2.8Å; T445-N448 PolarHBondContact O-N 3.29Å; N448-V451 PolarHBondContact O-N 2.88Å; N448-Q452 WeakPolarHBondContact O-CG 3.39Å; N448-Q452 PolarHBondContact O-N 2.84Å; N448-Q452 VanDerWaalsContact O-N 3.1Å
449	G	87.6	Confident	86	Confident	21 Å²	21	59 Å²	59	22%	0.216	31%	0.311	C	S	.	.	H	α-helix	trans	-61.8	-46.2	173.5	0	0	0	0	0	112.9	T445 C446 L447 V451 Q452 L453	T445-G449 PolarHBondContact O-N 3Å; C446-G449 PolarHBondContact O-N 3.21Å; L447-G449 PolarHBondContact O-N 2.84Å; G449-V451 VanDerWaalsContact C-N 3.29Å; G449-V451 PolarHBondContact O-N 2.81Å; G449-Q452 WeakPolarHBondContact O-CB 3.42Å; G449-Q452 PolarHBondContact O-N 2.93Å; G449-Q452 VanDerWaalsContact O-N 3.15Å; G449-L453 PolarHBondContact O-N 2.81Å
450	L	89.9	Confident	85.8	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-62.2	-35.4	176	-69.3	168.3	0	0	0	112.2	I429 I432 C446 L447 L453 V468 I469 L472	I429-L450 HydrophobicContact CG2-CD2 3.83Å; I432-L450 HydrophobicContact CG2-CD1 4.44Å; I432-L450 HydrophobicContact CG2-CD2 4.44Å; I432-L450 HydrophobicContact CG2-CG 4.41Å; C446-L450 WeakPolarHBondContact O-CB 3.33Å; C446-L450 VanDerWaalsContact O-CG 3.24Å; C446-L450 WeakPolarHBondContact O-CG 3.36Å; C446-L450 PolarHBondContact O-N 3.09Å; L447-L450 PolarHBondContact O-N 3.29Å; L450-L453 HydrophobicContact CD2-CD1 4.27Å; L450-L453 WeakPolarHBondContact O-CB 3.45Å; L450-L453 PolarHBondContact O-N 3.16Å; L450-V468 HydrophobicContact CD1-CB 4.34Å; L450-V468 HydrophobicContact CD1-CG1 3.61Å; L450-I469 HydrophobicContact CB-CD1 3.87Å; L450-I469 HydrophobicContact CB-CG1 3.69Å; L450-I469 HydrophobicContact CD1-CG1 4.23Å; L450-L472 HydrophobicContact CD1-CD1 3.91Å
451	V	86.8	Confident	86	Confident	18 Å²	18	61.7 Å²	61.7	11%	0.109	32%	0.316	C	S	.	.	H	α-helix	trans	-66.3	-36.6	174.9	169.4	0	0	0	0	111.5	L447 N448 G449 L453 L454 I469 I483	L447-V451 VanDerWaalsContact O-CG2 3.28Å; L447-V451 WeakPolarHBondContact O-CG2 3.19Å; L447-V451 PolarHBondContact O-N 3.42Å; N448-V451 PolarHBondContact O-N 2.88Å; G449-V451 VanDerWaalsContact C-N 3.29Å; G449-V451 PolarHBondContact O-N 2.81Å; V451-L453 VanDerWaalsContact C-N 3.32Å; V451-L453 PolarHBondContact O-N 3.25Å; V451-L454 VanDerWaalsContact O-CB 3.3Å; V451-L454 WeakPolarHBondContact O-CB 3.24Å; V451-L454 WeakPolarHBondContact O-CG 3.44Å; V451-L454 PolarHBondContact O-N 2.82Å; V451-I469 HydrophobicContact CG2-CD1 3.98Å; V451-I483 HydrophobicContact CG2-CG2 3.72Å
452	Q	84.9	Confident	86	Confident	91 Å²	91	54.6 Å²	54.6	43%	0.425	28%	0.283	S	S	.	.	H	α-helix	trans	-63.7	-36.8	172.7	-68.9	174.2	-11.5	0	0	112	N448 G449 L454 S455	N448-Q452 WeakPolarHBondContact O-CG 3.39Å; N448-Q452 PolarHBondContact O-N 2.84Å; N448-Q452 VanDerWaalsContact O-N 3.1Å; G449-Q452 WeakPolarHBondContact O-CB 3.42Å; G449-Q452 PolarHBondContact O-N 2.93Å; G449-Q452 VanDerWaalsContact O-N 3.15Å; Q452-L454 PolarHBondContact O-N 3.37Å; Q452-L454 VanDerWaalsContact O-N 3.14Å; Q452-S455 PolarHBondContact O-N 3.31Å; Q452-S455 VanDerWaalsContact O-N 3.14Å
453	L	86.3	Confident	85.9	Confident	26 Å²	26	53.7 Å²	53.7	14%	0.136	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-64	-16	177.1	-60.2	-178.8	0	0	0	113.9	I417 I429 G449 L450 V451 S455 N456 V461	I417-L453 HydrophobicContact CD1-CD1 4.06Å; I417-L453 HydrophobicContact CG2-CD1 4.49Å; I417-L453 HydrophobicContact CG2-CD2 3.95Å; I429-L453 HydrophobicContact CD1-CD1 4.19Å; I429-L453 HydrophobicContact CG1-CD1 4.08Å; G449-L453 PolarHBondContact O-N 2.81Å; L450-L453 HydrophobicContact CD2-CD1 4.27Å; L450-L453 WeakPolarHBondContact O-CB 3.45Å; L450-L453 PolarHBondContact O-N 3.16Å; V451-L453 VanDerWaalsContact C-N 3.32Å; V451-L453 PolarHBondContact O-N 3.25Å; L453-S455 PolarHBondContact O-N 3.33Å; L453-N456 WeakPolarHBondContact CA-ND2 3.41Å; L453-N456 WeakPolarHBondContact CD2-ND2 3.25Å; L453-N456 WeakPolarHBondContact O-CB 3.34Å; L453-N456 PolarHBondContact O-N 3.37Å; L453-N456 PolarHBondContact O-ND2 3.09Å; L453-N456 VanDerWaalsContact O-ND2 3.1Å; L453-V461 HydrophobicContact CB-CG1 4.49Å
454	L	82.6	Confident	86	Confident	9 Å²	9	53.7 Å²	53.7	5%	0.047	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-67.6	-16.2	174.5	-56.4	-178.4	0	0	0	113.5	V451 Q452 V462 V466 I469 M487 L490	V451-L454 VanDerWaalsContact O-CB 3.3Å; V451-L454 WeakPolarHBondContact O-CB 3.24Å; V451-L454 WeakPolarHBondContact O-CG 3.44Å; V451-L454 PolarHBondContact O-N 2.82Å; Q452-L454 PolarHBondContact O-N 3.37Å; Q452-L454 VanDerWaalsContact O-N 3.14Å; L454-V462 HydrophobicContact CD2-CG1 4.27Å; L454-V466 HydrophobicContact CD2-CG2 3.41Å; L454-V466 VanDerWaalsContact CD2-CG2 3.41Å; L454-I469 HydrophobicContact CD1-CD1 4.02Å; L454-I469 HydrophobicContact CD2-CD1 4.13Å; L454-I469 HydrophobicContact CG-CD1 4.21Å; L454-M487 HydrophobicContact CD1-CE 4.33Å; L454-M487 HydrophobicContact CD1-CG 4.18Å; L454-L490 HydrophobicContact CB-CD1 3.85Å; L454-L490 HydrophobicContact CD1-CD1 4.05Å
455	S	83.9	Confident	86.2	Confident	91 Å²	91	50 Å²	50	64%	0.636	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-88.2	-1.3	176.1	-59.5	0	0	0	0	113.5	Q452 L453	Q452-S455 PolarHBondContact O-N 3.31Å; Q452-S455 VanDerWaalsContact O-N 3.14Å; L453-S455 PolarHBondContact O-N 3.33Å
456	N	82.9	Confident	86.2	Confident	51 Å²	51	46 Å²	46	27%	0.273	24%	0.235	S	C	.	.			trans	-69.6	153	177.2	-75	-46.4	0	0	0	112.1	L453 D458 V461 V462	L453-N456 WeakPolarHBondContact CA-ND2 3.41Å; L453-N456 WeakPolarHBondContact CD2-ND2 3.25Å; L453-N456 WeakPolarHBondContact O-CB 3.34Å; L453-N456 PolarHBondContact O-N 3.37Å; L453-N456 PolarHBondContact O-ND2 3.09Å; L453-N456 VanDerWaalsContact O-ND2 3.1Å; N456-D458 VanDerWaalsContact C-N 3.35Å; N456-V461 HydrophobicContact CB-CG1 4.36Å; N456-V462 HydrophobicContact CB-CG2 4.39Å; N456-V462 WeakPolarHBondContact O-CG2 3.38Å
457	R	79.7	Confident	86.1	Confident	232 Å²	232	46.1 Å²	46.1	88%	0.875	24%	0.236	S	C	*	.	S	Bend	trans	-78.2	-18.2	175.8	-59.3	-176.2	-175.1	-176.4	2.6	113.5	E459	R457-E459 PolarHBondContact O-N 2.86Å
458	D	83.7	Confident	86.1	Confident	65 Å²	65	46.1 Å²	46.1	35%	0.348	24%	0.236	S	C	.	.			trans	-79	108.5	-178.7	-73	-54.9	0	0	0	111.6	K422 N456 L460 V461 V462	K422-D458 WeakPolarHBondContact CE-OD1 3.16Å; K422-D458 IonicContact NZ-OD1 3.22Å; K422-D458 PolarHBondContact NZ-OD1 3.36Å; K422-D458 VanDerWaalsContact NZ-OD1 3.15Å; K422-D458 IonicContact NZ-OD2 3.39Å; K422-D458 PolarHBondContact NZ-OD2 3.46Å; N456-D458 VanDerWaalsContact C-N 3.35Å; D458-L460 VanDerWaalsContact C-N 3.32Å; D458-L460 PolarHBondContact O-N 3.47Å; D458-V461 HydrophobicContact CB-CB 3.86Å; D458-V461 HydrophobicContact CB-CG2 3.61Å; D458-V461 WeakPolarHBondContact O-CB 3.25Å; D458-V461 PolarHBondContact O-N 3.4Å; D458-V461 VanDerWaalsContact O-N 3.08Å; D458-V462 PolarHBondContact O-N 3.18Å; D458-V462 VanDerWaalsContact O-N 3.12Å
459	E	84.2	Confident	86.2	Confident	109 Å²	109	42 Å²	42	51%	0.509	21%	0.214	S	C	.	.	H	α-helix	trans	-53.6	-43.2	-179.5	-79.1	-173.1	-151.3	0	0	114	R457 V461 V462 A463 V496	R457-E459 PolarHBondContact O-N 2.86Å; E459-V461 VanDerWaalsContact C-N 3.34Å; E459-V461 PolarHBondContact O-N 2.99Å; E459-V462 PolarHBondContact O-N 3.24Å; E459-A463 VanDerWaalsContact O-CB 3.31Å; E459-A463 WeakPolarHBondContact O-CB 3.37Å; E459-A463 PolarHBondContact O-N 2.79Å; E459-V496 HydrophobicContact CB-CG2 3.54Å; E459-V496 HydrophobicContact CG-CG2 3.77Å
460	L	85.3	Confident	86.2	Confident	101 Å²	101	43.5 Å²	43.5	53%	0.529	21%	0.214	S	C	.	.	H	α-helix	trans	-62.6	-38.9	178.5	-63.2	175.1	0	0	0	112.5	K422 D458 A463 E464	K422-L460 HydrophobicContact CB-CD1 4.13Å; D458-L460 VanDerWaalsContact C-N 3.32Å; D458-L460 PolarHBondContact O-N 3.47Å; L460-A463 PolarHBondContact O-N 3.03Å; L460-E464 PolarHBondContact O-N 3.34Å
461	V	88	Confident	85.9	Confident	5 Å²	5	44.6 Å²	44.6	3%	0.03	22%	0.219	C	C	.	.	H	α-helix	trans	-67.7	-44.1	179.5	173.1	0	0	0	0	110.4	V425 I429 L453 N456 D458 E459 S465	V425-V461 HydrophobicContact CG1-CG2 3.81Å; I429-V461 HydrophobicContact CD1-CG1 3.91Å; L453-V461 HydrophobicContact CB-CG1 4.49Å; N456-V461 HydrophobicContact CB-CG1 4.36Å; D458-V461 HydrophobicContact CB-CB 3.86Å; D458-V461 HydrophobicContact CB-CG2 3.61Å; D458-V461 WeakPolarHBondContact O-CB 3.25Å; D458-V461 PolarHBondContact O-N 3.4Å; D458-V461 VanDerWaalsContact O-N 3.08Å; E459-V461 VanDerWaalsContact C-N 3.34Å; E459-V461 PolarHBondContact O-N 2.99Å; V461-S465 VanDerWaalsContact O-CB 3.28Å; V461-S465 WeakPolarHBondContact O-CB 3.19Å; V461-S465 PolarHBondContact O-N 2.74Å; V461-S465 VanDerWaalsContact O-N 3.08Å; V461-S465 PolarHBondContact O-OG 3.16Å
462	V	87.3	Confident	85.9	Confident	9 Å²	9	43.8 Å²	43.8	6%	0.055	21%	0.214	C	C	.	.	H	α-helix	trans	-64.7	-42.5	175.7	176.7	0	0	0	0	110.6	L454 N456 D458 E459 S465 V466 I494	L454-V462 HydrophobicContact CD2-CG1 4.27Å; N456-V462 HydrophobicContact CB-CG2 4.39Å; N456-V462 WeakPolarHBondContact O-CG2 3.38Å; D458-V462 PolarHBondContact O-N 3.18Å; D458-V462 VanDerWaalsContact O-N 3.12Å; E459-V462 PolarHBondContact O-N 3.24Å; V462-S465 PolarHBondContact O-N 3.49Å; V462-V466 WeakPolarHBondContact O-CG2 3.41Å; V462-V466 PolarHBondContact O-N 3.37Å; V462-I494 HydrophobicContact CG1-CD1 4.14Å; V462-I494 HydrophobicContact CG1-CG1 3.96Å; V462-I494 HydrophobicContact CG1-CG2 4.02Å
463	A	85.9	Confident	85.8	Confident	8 Å²	8	39.6 Å²	39.6	7%	0.066	19%	0.194	C	C	.	.	H	α-helix	trans	-60.1	-51.1	-179.9	0	0	0	0	0	112.5	E459 L460 V466 V467 V496	E459-A463 VanDerWaalsContact O-CB 3.31Å; E459-A463 WeakPolarHBondContact O-CB 3.37Å; E459-A463 PolarHBondContact O-N 2.79Å; L460-A463 PolarHBondContact O-N 3.03Å; A463-V466 PolarHBondContact O-N 2.71Å; A463-V467 WeakPolarHBondContact O-CG2 3.45Å; A463-V467 PolarHBondContact O-N 3.47Å; A463-V467 VanDerWaalsContact O-N 3.09Å; A463-V496 HydrophobicContact CB-CB 4.32Å; A463-V496 HydrophobicContact CB-CG1 3.86Å; A463-V496 HydrophobicContact CB-CG2 4.44Å
464	E	89.2	Confident	85.6	Confident	29 Å²	29	39.9 Å²	39.9	14%	0.136	20%	0.195	C	C	.	.	H	α-helix	trans	-68.1	-37.9	-178.6	-156.2	70.1	168.8	0	0	111.6	A426 I429 Q430 L460 V466 V467 V468	A426-E464 HydrophobicContact CB-CB 4.37Å; A426-E464 HydrophobicContact CB-CG 4.11Å; I429-E464 HydrophobicContact CB-CG 4.37Å; I429-E464 HydrophobicContact CG2-CB 4.17Å; I429-E464 HydrophobicContact CG2-CG 4.08Å; Q430-E464 HydrophobicContact CG-CG 4.08Å; Q430-E464 WeakPolarHBondContact CG-OE1 3.31Å; Q430-E464 VanDerWaalsContact NE2-CD 3.3Å; Q430-E464 PolarHBondContact NE2-OE1 3.47Å; L460-E464 PolarHBondContact O-N 3.34Å; E464-V466 PolarHBondContact O-N 2.83Å; E464-V467 PolarHBondContact O-N 2.73Å; E464-V468 WeakPolarHBondContact O-CG2 3.49Å; E464-V468 PolarHBondContact O-N 3.4Å
465	S	90.6	Very high	85.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.7	-44	174.3	-59.4	0	0	0	0	111.6	V461 V462 V467 V468 I469	V461-S465 VanDerWaalsContact O-CB 3.28Å; V461-S465 WeakPolarHBondContact O-CB 3.19Å; V461-S465 PolarHBondContact O-N 2.74Å; V461-S465 VanDerWaalsContact O-N 3.08Å; V461-S465 PolarHBondContact O-OG 3.16Å; V462-S465 PolarHBondContact O-N 3.49Å; S465-V467 PolarHBondContact O-N 2.87Å; S465-V468 PolarHBondContact O-N 3.37Å; S465-I469 WeakPolarHBondContact O-CB 3.35Å; S465-I469 WeakPolarHBondContact O-CD1 3.34Å; S465-I469 WeakPolarHBondContact O-CG1 3.39Å; S465-I469 PolarHBondContact O-N 3.34Å
466	V	88.1	Confident	84.7	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.006	20%	0.197	C	C	.	.	H	α-helix	trans	-64	-40	175.8	170.7	0	0	0	0	112.1	L454 V462 A463 E464 K470 M487 I494 A499 I503	L454-V466 HydrophobicContact CD2-CG2 3.41Å; L454-V466 VanDerWaalsContact CD2-CG2 3.41Å; V462-V466 WeakPolarHBondContact O-CG2 3.41Å; V462-V466 PolarHBondContact O-N 3.37Å; A463-V466 PolarHBondContact O-N 2.71Å; E464-V466 PolarHBondContact O-N 2.83Å; V466-K470 WeakPolarHBondContact O-CB 3.02Å; V466-K470 PolarHBondContact O-N 3.35Å; V466-M487 HydrophobicContact CB-CE 4.41Å; V466-M487 HydrophobicContact CG1-CE 4.08Å; V466-M487 HydrophobicContact CG2-CE 4.13Å; V466-I494 HydrophobicContact CG2-CD1 4.37Å; V466-A499 HydrophobicContact CB-CB 4.05Å; V466-A499 HydrophobicContact CG1-CB 4.14Å; V466-A499 WeakPolarHBondContact CG1-O 3.26Å; V466-A499 HydrophobicContact CG2-CB 4.12Å; V466-I503 HydrophobicContact CG1-CD1 4.18Å; V466-I503 HydrophobicContact CG1-CG1 3.77Å; V466-I503 HydrophobicContact CG2-CD1 4.13Å; V466-I503 HydrophobicContact CG2-CG1 4.5Å
467	V	86.6	Confident	83.9	Confident	13 Å²	13	42 Å²	42	8%	0.079	20%	0.199	C	C	.	.	H	α-helix	trans	-64.2	-45.2	177.7	171.1	0	0	0	0	110.8	A463 E464 S465 K470 K471 M498	A463-V467 WeakPolarHBondContact O-CG2 3.45Å; A463-V467 PolarHBondContact O-N 3.47Å; A463-V467 VanDerWaalsContact O-N 3.09Å; E464-V467 PolarHBondContact O-N 2.73Å; S465-V467 PolarHBondContact O-N 2.87Å; V467-K470 PolarHBondContact O-N 2.9Å; V467-K471 WeakPolarHBondContact O-CG 3.47Å; V467-K471 PolarHBondContact O-N 3.46Å; V467-K471 VanDerWaalsContact O-N 3.07Å; V467-M498 HydrophobicContact CG2-CE 4.25Å; V467-M498 HydrophobicContact CG2-CG 4.43Å
468	V	88.6	Confident	83.2	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.4	-45.3	177.1	175.6	0	0	0	0	111.7	I429 Q430 L450 E464 S465 K470 K471 L472	I429-V468 HydrophobicContact CG2-CB 4.41Å; I429-V468 HydrophobicContact CG2-CG2 3.94Å; Q430-V468 HydrophobicContact CG-CG2 4.34Å; L450-V468 HydrophobicContact CD1-CB 4.34Å; L450-V468 HydrophobicContact CD1-CG1 3.61Å; E464-V468 WeakPolarHBondContact O-CG2 3.49Å; E464-V468 PolarHBondContact O-N 3.4Å; S465-V468 PolarHBondContact O-N 3.37Å; V468-K470 VanDerWaalsContact C-N 3.31Å; V468-K470 PolarHBondContact O-N 2.92Å; V468-K471 PolarHBondContact O-N 2.73Å; V468-K471 VanDerWaalsContact O-N 3.17Å; V468-L472 HydrophobicContact CG1-CD1 3.96Å; V468-L472 HydrophobicContact CG1-CG 4.34Å; V468-L472 WeakPolarHBondContact O-CG 3.25Å; V468-L472 PolarHBondContact O-N 3.06Å
469	I	88.8	Confident	82.6	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-57.6	-45.5	175.6	-68.3	161.8	0	0	0	110.4	L447 L450 V451 L454 S465 K471 L472 L473 I483 M487	L447-I469 HydrophobicContact CD2-CG2 4.36Å; L450-I469 HydrophobicContact CB-CD1 3.87Å; L450-I469 HydrophobicContact CB-CG1 3.69Å; L450-I469 HydrophobicContact CD1-CG1 4.23Å; V451-I469 HydrophobicContact CG2-CD1 3.98Å; L454-I469 HydrophobicContact CD1-CD1 4.02Å; L454-I469 HydrophobicContact CD2-CD1 4.13Å; L454-I469 HydrophobicContact CG-CD1 4.21Å; S465-I469 WeakPolarHBondContact O-CB 3.35Å; S465-I469 WeakPolarHBondContact O-CD1 3.34Å; S465-I469 WeakPolarHBondContact O-CG1 3.39Å; S465-I469 PolarHBondContact O-N 3.34Å; I469-K471 PolarHBondContact O-N 2.7Å; I469-L472 PolarHBondContact O-N 2.62Å; I469-L473 HydrophobicContact CG2-CD1 3.54Å; I469-L473 HydrophobicContact CG2-CG 3.98Å; I469-L473 WeakPolarHBondContact O-CB 3.29Å; I469-L473 VanDerWaalsContact O-CG 3.23Å; I469-L473 WeakPolarHBondContact O-CG 3.37Å; I469-L473 PolarHBondContact O-N 3.23Å; I469-I483 HydrophobicContact CG2-CG2 4.3Å; I469-M487 HydrophobicContact CB-CE 4Å; I469-M487 HydrophobicContact CD1-CE 4.12Å; I469-M487 HydrophobicContact CG2-CE 3.62Å; I469-M487 HydrophobicContact CG2-SD 3.62Å
470	K	86.1	Confident	82	Confident	54 Å²	54	37.9 Å²	37.9	24%	0.235	19%	0.185	C	C	.	.	H	α-helix	trans	-56.2	-48.5	175.8	171.2	-174.6	159.8	-156.6	0	111.5	V466 V467 V468 L473 Q474 W505	V466-K470 WeakPolarHBondContact O-CB 3.02Å; V466-K470 PolarHBondContact O-N 3.35Å; V467-K470 PolarHBondContact O-N 2.9Å; V468-K470 VanDerWaalsContact C-N 3.31Å; V468-K470 PolarHBondContact O-N 2.92Å; K470-L473 PolarHBondContact O-N 2.95Å; K470-Q474 VanDerWaalsContact O-CG 3.31Å; K470-Q474 WeakPolarHBondContact O-CG 3.44Å; K470-Q474 PolarHBondContact O-N 3.27Å; K470-Q474 VanDerWaalsContact O-N 3.14Å; K470-Q474 PolarHBondContact O-OE1 3.33Å; K470-W505 HydrophobicContact CD-CE3 4.07Å; K470-W505 HydrophobicContact CG-CE3 4.01Å; K470-W505 HydrophobicContact CG-CZ3 4.21Å
471	K	85.3	Confident	81.6	Confident	25 Å²	25	34.2 Å²	34.2	11%	0.109	17%	0.167	C	C	.	.	H	α-helix	trans	-62.1	-44.2	179.4	-68.4	-170.4	176.5	-167.8	0	112	V467 V468 I469 Q474 P609 L611 D841	V467-K471 WeakPolarHBondContact O-CG 3.47Å; V467-K471 PolarHBondContact O-N 3.46Å; V467-K471 VanDerWaalsContact O-N 3.07Å; V468-K471 PolarHBondContact O-N 2.73Å; V468-K471 VanDerWaalsContact O-N 3.17Å; I469-K471 PolarHBondContact O-N 2.7Å; K471-Q474 WeakPolarHBondContact O-CB 3.39Å; K471-Q474 PolarHBondContact O-N 2.76Å; K471-P609 HydrophobicContact CB-CG 4.12Å; K471-P609 HydrophobicContact CD-CG 4.21Å; K471-P609 HydrophobicContact CG-CG 3.74Å; K471-L611 HydrophobicContact CB-CD1 3.88Å; K471-L611 HydrophobicContact CB-CG 4.37Å; K471-L611 HydrophobicContact CD-CD1 4.27Å; K471-L611 HydrophobicContact CD-CD2 3.8Å; K471-L611 HydrophobicContact CD-CG 3.93Å; K471-D841 WeakPolarHBondContact CE-OD2 3.24Å; K471-D841 IonicContact NZ-OD1 3.52Å; K471-D841 IonicContact NZ-OD2 2.66Å; K471-D841 PolarHBondContact NZ-OD2 2.92Å
472	L	85.4	Confident	81.2	Confident	1 Å²	1	39 Å²	39	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-64.9	-41.7	176.9	-69.4	174	0	0	0	112.7	A436 T437 L447 L450 V468 I469 Q474 M475	A436-L472 HydrophobicContact CB-CD1 3.92Å; A436-L472 HydrophobicContact CB-CD2 3.82Å; T437-L472 WeakPolarHBondContact OG1-CD2 3.27Å; L447-L472 HydrophobicContact CD2-CB 3.84Å; L447-L472 HydrophobicContact CD2-CD1 3.86Å; L447-L472 HydrophobicContact CG-CD1 4.19Å; L450-L472 HydrophobicContact CD1-CD1 3.91Å; V468-L472 HydrophobicContact CG1-CD1 3.96Å; V468-L472 HydrophobicContact CG1-CG 4.34Å; V468-L472 WeakPolarHBondContact O-CG 3.25Å; V468-L472 PolarHBondContact O-N 3.06Å; I469-L472 PolarHBondContact O-N 2.62Å; L472-Q474 PolarHBondContact O-N 3.06Å; L472-M475 WeakPolarHBondContact O-CB 3.19Å; L472-M475 PolarHBondContact O-N 3.37Å
473	L	83.6	Confident	81	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-69.8	-16.3	177.7	-68.5	179.7	0	0	0	113.7	L447 I469 K470 M475 H480 I483 I484 M487 L506 Y510	L447-L473 HydrophobicContact CD2-CD2 4.45Å; I469-L473 HydrophobicContact CG2-CD1 3.54Å; I469-L473 HydrophobicContact CG2-CG 3.98Å; I469-L473 WeakPolarHBondContact O-CB 3.29Å; I469-L473 VanDerWaalsContact O-CG 3.23Å; I469-L473 WeakPolarHBondContact O-CG 3.37Å; I469-L473 PolarHBondContact O-N 3.23Å; K470-L473 PolarHBondContact O-N 2.95Å; L473-M475 VanDerWaalsContact C-N 3.3Å; L473-H480 HydrophobicContact CD2-CB 3.34Å; L473-I483 HydrophobicContact CD1-CG2 4.14Å; L473-I484 HydrophobicContact CD1-CG1 4.29Å; L473-M487 HydrophobicContact CD1-SD 4.34Å; L473-L506 HydrophobicContact CB-CD1 3.96Å; L473-L506 HydrophobicContact CD1-CD1 3.88Å; L473-L506 HydrophobicContact CD1-CD2 3.72Å; L473-L506 HydrophobicContact CD1-CG 4.4Å; L473-Y510 PolarHBondContact O-OH 3.22Å
474	Q	80.9	Confident	80.9	Confident	32 Å²	32	39.2 Å²	39.2	15%	0.15	19%	0.192	C	C	.	.	H	α-helix	trans	-74.8	-19.5	169.6	-71.5	171.1	-75.1	0	0	112.5	K470 K471 L472 W505 A608	K470-Q474 VanDerWaalsContact O-CG 3.31Å; K470-Q474 WeakPolarHBondContact O-CG 3.44Å; K470-Q474 PolarHBondContact O-N 3.27Å; K470-Q474 VanDerWaalsContact O-N 3.14Å; K470-Q474 PolarHBondContact O-OE1 3.33Å; K471-Q474 WeakPolarHBondContact O-CB 3.39Å; K471-Q474 PolarHBondContact O-N 2.76Å; L472-Q474 PolarHBondContact O-N 3.06Å; Q474-W505 HydrophobicContact CG-CH2 3.72Å; Q474-W505 HydrophobicContact CG-CZ3 3.78Å; Q474-W505 VanDerWaalsContact NE2-CH2 3.3Å; Q474-A608 HydrophobicContact CB-CB 4.06Å
475	M	75.6	Confident	80.7	Confident	85 Å²	85	40.5 Å²	40.5	42%	0.419	20%	0.198	S	C	.	.	H	α-helix	trans	-82.7	-34.3	179.4	-60.6	-67.2	-71.7	0	0	113.5	T437 L472 L473 A608	T437-M475 HydrophobicContact CG2-CE 4.42Å; L472-M475 WeakPolarHBondContact O-CB 3.19Å; L472-M475 PolarHBondContact O-N 3.37Å; L473-M475 VanDerWaalsContact C-N 3.3Å; M475-A608 HydrophobicContact CG-CB 4.45Å; M475-A608 HydrophobicContact SD-CB 3.47Å; M475-A608 WeakPolarHBondContact SD-CB 3.34Å
476	Q	72.5	Confident	80.3	Confident	64 Å²	64	44.4 Å²	44.4	30%	0.299	22%	0.216	S	C	.	.			trans	-140.4	85.1	177.7	-66.5	-162	1.7	0	0	111.4	H480	Q476-H480 PolarHBondContact O-CD2 3.07Å; Q476-H480 VanDerWaalsContact O-CD2 3.3Å
477	P	65.6	Low	80	Confident	48 Å²	48	44.4 Å²	44.4	31%	0.312	22%	0.216	S	C	.	.			trans	-70.2	-35.4	-170.7	25.7	-34.4	0	0	0	114.7	Y510	P477-Y510 HydrophobicContact CB-CD1 4.11Å; P477-Y510 HydrophobicContact CB-CE1 3.42Å; P477-Y510 VanDerWaalsContact CB-CE1 3.42Å; P477-Y510 HydrophobicContact CB-CE2 4.44Å
478	E	66.9	Low	79.9	Confident	157 Å²	157	43.9 Å²	43.9	73%	0.734	21%	0.213	S	C	*	.	S	Bend	trans	-73.6	-32.5	-167.1	-58.5	-178.5	160.5	0	0	113.5
479	K	69.2	Low	79.7	Confident	144 Å²	144	50.8 Å²	50.8	63%	0.626	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-23.6	-170.3	-67.2	-176.8	-177.9	170.4	0	114.7
480	H	72.7	Confident	79.3	Confident	17 Å²	17	52 Å²	52	8%	0.079	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	29.3	-162.9	-57.8	-56.2	0	0	0	113.9	D444 L473 Q476 D482 I483 I484	D444-H480 IonicContact OD1-CE1 3.61Å; D444-H480 PolarHBondContact OD1-CE1 3.17Å; D444-H480 VanDerWaalsContact OD1-CE1 3.28Å; D444-H480 IonicContact OD1-NE2 3.79Å; L473-H480 HydrophobicContact CD2-CB 3.34Å; Q476-H480 PolarHBondContact O-CD2 3.07Å; Q476-H480 VanDerWaalsContact O-CD2 3.3Å; H480-D482 PolarHBondContact O-N 3.15Å; H480-I483 HydrophobicContact CB-CB 4.48Å; H480-I483 HydrophobicContact CB-CD1 4.2Å; H480-I483 HydrophobicContact CB-CG1 4.48Å; H480-I483 PolarHBondContact O-N 3.43Å; H480-I484 PolarHBondContact O-N 2.85Å
481	S	76.3	Confident	79.1	Confident	24 Å²	24	49.5 Å²	49.5	17%	0.168	24%	0.238	C	C	.	.	H	α-helix	trans	-54.1	-31.9	-176.5	81.6	0	0	0	0	113.7	I484 K485	S481-I484 PolarHBondContact O-N 3.45Å; S481-K485 VanDerWaalsContact O-CE 3.26Å; S481-K485 WeakPolarHBondContact O-CE 3.36Å; S481-K485 VanDerWaalsContact O-CG 3.31Å; S481-K485 WeakPolarHBondContact O-CG 3.39Å; S481-K485 PolarHBondContact O-N 3.5Å; S481-K485 VanDerWaalsContact O-N 3.09Å; S481-K485 WeakPolarHBondContact OG-CE 3.42Å; S481-K485 PolarHBondContact OG-NZ 3.11Å
482	D	80.8	Confident	78.9	Confident	107 Å²	107	52.5 Å²	52.5	57%	0.572	26%	0.255	S	S	*	.	H	α-helix	trans	-76.6	-29.3	-179.1	-67.5	-74.3	0	0	0	114	H480 I484 K485 H486	H480-D482 PolarHBondContact O-N 3.15Å; D482-I484 VanDerWaalsContact C-N 3.34Å; D482-K485 PolarHBondContact O-N 3.05Å; D482-K485 WeakPolarHBondContact OD1-CD 3.42Å; D482-K485 IonicContact OD1-NZ 2.75Å; D482-K485 PolarHBondContact OD1-NZ 3.19Å; D482-K485 IonicContact OD2-NZ 3.49Å; D482-K485 PolarHBondContact OD2-NZ 2.91Å; D482-K485 VanDerWaalsContact OD2-NZ 3.1Å; D482-H486 PolarHBondContact O-N 3.04Å
483	I	83.3	Confident	78.8	Confident	19 Å²	19	58.3 Å²	58.3	10%	0.097	29%	0.286	C	S	.	.	H	α-helix	trans	-64	-44	170.2	-62.7	-178.8	0	0	0	109.4	L447 V451 I469 L473 H480 K485 H486 M487	L447-I483 HydrophobicContact CB-CD1 4.05Å; L447-I483 HydrophobicContact CD1-CD1 4.37Å; V451-I483 HydrophobicContact CG2-CG2 3.72Å; I469-I483 HydrophobicContact CG2-CG2 4.3Å; L473-I483 HydrophobicContact CD1-CG2 4.14Å; H480-I483 HydrophobicContact CB-CB 4.48Å; H480-I483 HydrophobicContact CB-CD1 4.2Å; H480-I483 HydrophobicContact CB-CG1 4.48Å; H480-I483 PolarHBondContact O-N 3.43Å; I483-K485 VanDerWaalsContact C-N 3.34Å; I483-K485 PolarHBondContact O-N 2.98Å; I483-H486 WeakPolarHBondContact O-CB 3.33Å; I483-H486 PolarHBondContact O-N 3.24Å; I483-M487 HydrophobicContact CG2-CG 4.37Å; I483-M487 HydrophobicContact CG2-SD 4.15Å; I483-M487 WeakPolarHBondContact O-CG 3.48Å; I483-M487 PolarHBondContact O-N 2.66Å
484	I	83.1	Confident	78.7	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-62.4	-42.1	177.1	-52.7	164.8	0	0	0	110.4	L473 H480 S481 D482 H486 M487 A488 L506 I507 Y510 V514	L473-I484 HydrophobicContact CD1-CG1 4.29Å; H480-I484 PolarHBondContact O-N 2.85Å; S481-I484 PolarHBondContact O-N 3.45Å; D482-I484 VanDerWaalsContact C-N 3.34Å; I484-H486 VanDerWaalsContact C-N 3.27Å; I484-H486 PolarHBondContact O-N 3.17Å; I484-M487 PolarHBondContact O-N 3.44Å; I484-A488 VanDerWaalsContact O-CB 3.28Å; I484-A488 WeakPolarHBondContact O-CB 3.5Å; I484-A488 PolarHBondContact O-N 3.38Å; I484-L506 HydrophobicContact CG1-CD2 4.13Å; I484-L506 HydrophobicContact CG1-CG 4.37Å; I484-L506 HydrophobicContact CG2-CD2 4.31Å; I484-L506 HydrophobicContact CG2-CG 4.42Å; I484-I507 HydrophobicContact CG2-CG1 4.36Å; I484-Y510 HydrophobicContact CD1-CD2 3.5Å; I484-Y510 VanDerWaalsContact CD1-CD2 3.5Å; I484-Y510 HydrophobicContact CD1-CE2 4.36Å; I484-Y510 HydrophobicContact CD1-CG 3.99Å; I484-Y510 HydrophobicContact CG1-CD2 4.44Å; I484-V514 HydrophobicContact CB-CG2 4.38Å; I484-V514 HydrophobicContact CG2-CG2 3.83Å
485	K	84	Confident	78.8	Confident	57 Å²	57	64 Å²	64	25%	0.248	31%	0.314	C	S	.	.	H	α-helix	trans	-62	-31.2	173.5	-67.3	164.2	-139.8	158.8	0	112.6	S481 D482 I483 K489 V514 I517	S481-K485 VanDerWaalsContact O-CE 3.26Å; S481-K485 WeakPolarHBondContact O-CE 3.36Å; S481-K485 VanDerWaalsContact O-CG 3.31Å; S481-K485 WeakPolarHBondContact O-CG 3.39Å; S481-K485 PolarHBondContact O-N 3.5Å; S481-K485 VanDerWaalsContact O-N 3.09Å; S481-K485 WeakPolarHBondContact OG-CE 3.42Å; S481-K485 PolarHBondContact OG-NZ 3.11Å; D482-K485 PolarHBondContact O-N 3.05Å; D482-K485 WeakPolarHBondContact OD1-CD 3.42Å; D482-K485 IonicContact OD1-NZ 2.75Å; D482-K485 PolarHBondContact OD1-NZ 3.19Å; D482-K485 IonicContact OD2-NZ 3.49Å; D482-K485 PolarHBondContact OD2-NZ 2.91Å; D482-K485 VanDerWaalsContact OD2-NZ 3.1Å; I483-K485 VanDerWaalsContact C-N 3.34Å; I483-K485 PolarHBondContact O-N 2.98Å; K485-K489 WeakPolarHBondContact O-CG 3.16Å; K485-V514 HydrophobicContact CG-CG1 4.11Å; K485-I517 HydrophobicContact CB-CD1 4.34Å; K485-I517 HydrophobicContact CG-CD1 4.27Å
486	H	82.6	Confident	79.3	Confident	81 Å²	81	61 Å²	61	38%	0.375	30%	0.3	S	S	.	.	H	α-helix	trans	-76.1	-49.7	177	-166.8	97	0	0	0	111.6	D482 I483 I484 A488 K489 L490	D482-H486 PolarHBondContact O-N 3.04Å; I483-H486 WeakPolarHBondContact O-CB 3.33Å; I483-H486 PolarHBondContact O-N 3.24Å; I484-H486 VanDerWaalsContact C-N 3.27Å; I484-H486 PolarHBondContact O-N 3.17Å; H486-A488 VanDerWaalsContact C-N 3.26Å; H486-A488 PolarHBondContact O-N 3.07Å; H486-K489 WeakPolarHBondContact O-CB 3.21Å; H486-K489 PolarHBondContact O-N 2.9Å; H486-L490 PolarHBondContact O-N 3.22Å; H486-L490 VanDerWaalsContact O-N 3.17Å
487	M	82.9	Confident	80	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-58.2	-37.5	175.9	-64	178.4	98.6	0	0	112.3	L454 V466 I469 L473 I483 I484 K489 L490 T491 I503 L506	L454-M487 HydrophobicContact CD1-CE 4.33Å; L454-M487 HydrophobicContact CD1-CG 4.18Å; V466-M487 HydrophobicContact CB-CE 4.41Å; V466-M487 HydrophobicContact CG1-CE 4.08Å; V466-M487 HydrophobicContact CG2-CE 4.13Å; I469-M487 HydrophobicContact CB-CE 4Å; I469-M487 HydrophobicContact CD1-CE 4.12Å; I469-M487 HydrophobicContact CG2-CE 3.62Å; I469-M487 HydrophobicContact CG2-SD 3.62Å; L473-M487 HydrophobicContact CD1-SD 4.34Å; I483-M487 HydrophobicContact CG2-CG 4.37Å; I483-M487 HydrophobicContact CG2-SD 4.15Å; I483-M487 WeakPolarHBondContact O-CG 3.48Å; I483-M487 PolarHBondContact O-N 2.66Å; I484-M487 PolarHBondContact O-N 3.44Å; M487-K489 PolarHBondContact O-N 3.3Å; M487-L490 PolarHBondContact O-N 2.94Å; M487-T491 PolarHBondContact O-N 2.89Å; M487-T491 VanDerWaalsContact O-N 3.1Å; M487-T491 PolarHBondContact O-OG1 3.42Å; M487-I503 HydrophobicContact CB-CG1 4.47Å; M487-I503 HydrophobicContact CB-CG2 4.3Å; M487-I503 HydrophobicContact CE-CG1 4.1Å; M487-L506 HydrophobicContact SD-CD2 3.58Å; M487-L506 VanDerWaalsContact SD-CD2 3.58Å
488	A	83.4	Confident	80.9	Confident	2 Å²	2	61.5 Å²	61.5	2%	0.017	30%	0.303	C	S	.	.	H	α-helix	trans	-65.2	-19.4	175.1	0	0	0	0	0	114.3	I484 H486 T491 I507 I517 V521	I484-A488 VanDerWaalsContact O-CB 3.28Å; I484-A488 WeakPolarHBondContact O-CB 3.5Å; I484-A488 PolarHBondContact O-N 3.38Å; H486-A488 VanDerWaalsContact C-N 3.26Å; H486-A488 PolarHBondContact O-N 3.07Å; A488-T491 WeakPolarHBondContact CA-OG1 3.39Å; A488-I507 HydrophobicContact CB-CD1 3.63Å; A488-I507 HydrophobicContact CB-CG1 4.22Å; A488-I517 HydrophobicContact CB-CG2 3.94Å; A488-V521 HydrophobicContact CB-CG2 4.41Å
489	K	84	Confident	81.8	Confident	145 Å²	145	54 Å²	54	63%	0.63	27%	0.268	S	S	*	.	H	α-helix	trans	-85.2	-40.3	170.9	-67.3	170.6	-179	179.6	0	111.6	K485 H486 M487 T491	K485-K489 WeakPolarHBondContact O-CG 3.16Å; H486-K489 WeakPolarHBondContact O-CB 3.21Å; H486-K489 PolarHBondContact O-N 2.9Å; M487-K489 PolarHBondContact O-N 3.3Å; K489-T491 PolarHBondContact O-N 3.24Å
490	L	81.1	Confident	82.7	Confident	27 Å²	27	49 Å²	49	14%	0.141	25%	0.245	C	C	.	.	H	α-helix	trans	-72.6	-9.5	179.1	-64.5	-179.6	0	0	0	114.1	L454 H486 M487 D492 N493 I494	L454-L490 HydrophobicContact CB-CD1 3.85Å; L454-L490 HydrophobicContact CD1-CD1 4.05Å; H486-L490 PolarHBondContact O-N 3.22Å; H486-L490 VanDerWaalsContact O-N 3.17Å; M487-L490 PolarHBondContact O-N 2.94Å; L490-D492 PolarHBondContact O-N 2.96Å; L490-D492 VanDerWaalsContact O-N 3.08Å; L490-N493 PolarHBondContact O-N 3.33Å; L490-I494 HydrophobicContact CB-CD1 4.14Å; L490-I494 WeakPolarHBondContact O-CG1 3.22Å; L490-I494 PolarHBondContact O-N 2.96Å
491	T	82.3	Confident	83.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-25.5	-177.5	-53.7	0	0	0	0	113.9	M487 A488 K489 I503 V521 M525	M487-T491 PolarHBondContact O-N 2.89Å; M487-T491 VanDerWaalsContact O-N 3.1Å; M487-T491 PolarHBondContact O-OG1 3.42Å; A488-T491 WeakPolarHBondContact CA-OG1 3.39Å; K489-T491 PolarHBondContact O-N 3.24Å; T491-I503 HydrophobicContact CG2-CG2 4.49Å; T491-I503 WeakPolarHBondContact OG1-CG2 3.49Å; T491-V521 HydrophobicContact CG2-CG1 4.39Å; T491-M525 HydrophobicContact CG2-SD 4.43Å
492	D	81.6	Confident	84.1	Confident	88 Å²	88	47.7 Å²	47.7	47%	0.471	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-26.9	177.1	-66.5	16.6	0	0	0	113	L490 K524	L490-D492 PolarHBondContact O-N 2.96Å; L490-D492 VanDerWaalsContact O-N 3.08Å; D492-K524 WeakPolarHBondContact OD1-CD 3.49Å; D492-K524 IonicContact OD1-NZ 2.86Å; D492-K524 PolarHBondContact OD1-NZ 3.48Å; D492-K524 IonicContact OD2-NZ 2.69Å; D492-K524 PolarHBondContact OD2-NZ 3.24Å
493	N	82.4	Confident	84.5	Confident	123 Å²	123	42.6 Å²	42.6	66%	0.658	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-31.9	-174.8	-65.1	-2.5	0	0	0	112.2	L490 Q495	L490-N493 PolarHBondContact O-N 3.33Å; N493-Q495 PolarHBondContact O-N 2.96Å
494	I	82.2	Confident	84.8	Confident	10 Å²	10	41.7 Å²	41.7	5%	0.051	21%	0.206	C	C	.	.			trans	-79.1	113.1	-176.2	-61.4	169.8	0	0	0	108.1	V462 V466 L490 A499 R500 I503	V462-I494 HydrophobicContact CG1-CD1 4.14Å; V462-I494 HydrophobicContact CG1-CG1 3.96Å; V462-I494 HydrophobicContact CG1-CG2 4.02Å; V466-I494 HydrophobicContact CG2-CD1 4.37Å; L490-I494 HydrophobicContact CB-CD1 4.14Å; L490-I494 WeakPolarHBondContact O-CG1 3.22Å; L490-I494 PolarHBondContact O-N 2.96Å; I494-A499 HydrophobicContact CG2-CB 3.65Å; I494-R500 HydrophobicContact CG2-CG 4.21Å; I494-R500 WeakPolarHBondContact O-CD 3.39Å; I494-R500 WeakPolarHBondContact O-CG 3.47Å; I494-R500 PolarHBondContact O-NE 3.48Å; I494-I503 HydrophobicContact CD1-CD1 3.58Å
495	Q	82.3	Confident	85.1	Confident	145 Å²	145	42.8 Å²	42.8	68%	0.678	21%	0.21	S	C	*	.			trans	-83.4	-29.4	179.7	-59.7	-169	44.5	0	0	113	N493 P497 R500	N493-Q495 PolarHBondContact O-N 2.96Å; Q495-P497 WeakPolarHBondContact O-CD 3.38Å; Q495-R500 VanDerWaalsContact O-CD 3.27Å; Q495-R500 WeakPolarHBondContact O-CD 3.35Å
496	V	86.5	Confident	85.3	Confident	22 Å²	22	40.1 Å²	40.1	13%	0.133	20%	0.199	C	C	.	.			trans	-61.9	121	-169.3	-169.7	0	0	0	0	113.1	E459 A463 M498 A499 R500	E459-V496 HydrophobicContact CB-CG2 3.54Å; E459-V496 HydrophobicContact CG-CG2 3.77Å; A463-V496 HydrophobicContact CB-CB 4.32Å; A463-V496 HydrophobicContact CB-CG1 3.86Å; A463-V496 HydrophobicContact CB-CG2 4.44Å; V496-M498 PolarHBondContact O-N 3.36Å; V496-A499 HydrophobicContact CB-CB 4.1Å; V496-A499 WeakPolarHBondContact O-CB 3.34Å; V496-A499 PolarHBondContact O-N 2.91Å; V496-A499 VanDerWaalsContact O-N 3.15Å; V496-R500 WeakPolarHBondContact O-CG 3.45Å; V496-R500 PolarHBondContact O-N 2.95Å
497	P	86.8	Confident	85.5	Confident	46 Å²	46	36.3 Å²	36.3	30%	0.299	18%	0.181	S	C	.	.	H	α-helix	trans	-52.1	-48.5	-176.5	-31.8	36.5	0	0	0	115.2	Q495 A499 R500 A501 E533 V536	Q495-P497 WeakPolarHBondContact O-CD 3.38Å; P497-A499 VanDerWaalsContact C-N 3.29Å; P497-A499 PolarHBondContact O-N 3.44Å; P497-R500 PolarHBondContact O-N 3.5Å; P497-A501 VanDerWaalsContact O-CB 3.29Å; P497-A501 WeakPolarHBondContact O-CB 3.45Å; P497-A501 PolarHBondContact O-N 3.29Å; P497-E533 HydrophobicContact CB-CB 3.86Å; P497-E533 HydrophobicContact CB-CG 3.98Å; P497-E533 HydrophobicContact CG-CB 3.98Å; P497-E533 HydrophobicContact CG-CG 3.53Å; P497-V536 HydrophobicContact CB-CG2 3.95Å; P497-V536 WeakPolarHBondContact O-CG2 3.44Å
498	M	84.4	Confident	85.7	Confident	76 Å²	76	36.3 Å²	36.3	37%	0.374	18%	0.182	S	C	.	.	H	α-helix	trans	-66.6	-31.6	-176.7	-170.2	161.6	73	0	0	112.7	V467 V496 S502 L838	V467-M498 HydrophobicContact CG2-CE 4.25Å; V467-M498 HydrophobicContact CG2-CG 4.43Å; V496-M498 PolarHBondContact O-N 3.36Å; M498-S502 VanDerWaalsContact O-CB 3.3Å; M498-S502 WeakPolarHBondContact O-CB 3.43Å; M498-S502 PolarHBondContact O-N 2.88Å; M498-S502 VanDerWaalsContact O-N 3.13Å; M498-S502 PolarHBondContact O-OG 2.92Å; M498-L838 HydrophobicContact CE-CD2 4.31Å
499	A	86.7	Confident	85.7	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-70.5	-50.3	174.1	0	0	0	0	0	110.9	V466 I494 V496 P497 A501 S502 I503	V466-A499 HydrophobicContact CB-CB 4.05Å; V466-A499 HydrophobicContact CG1-CB 4.14Å; V466-A499 WeakPolarHBondContact CG1-O 3.26Å; V466-A499 HydrophobicContact CG2-CB 4.12Å; I494-A499 HydrophobicContact CG2-CB 3.65Å; V496-A499 HydrophobicContact CB-CB 4.1Å; V496-A499 WeakPolarHBondContact O-CB 3.34Å; V496-A499 PolarHBondContact O-N 2.91Å; V496-A499 VanDerWaalsContact O-N 3.15Å; P497-A499 VanDerWaalsContact C-N 3.29Å; P497-A499 PolarHBondContact O-N 3.44Å; A499-A501 PolarHBondContact O-N 2.97Å; A499-S502 WeakPolarHBondContact O-CB 3.43Å; A499-S502 PolarHBondContact O-N 2.89Å; A499-S502 VanDerWaalsContact O-N 3.09Å; A499-I503 WeakPolarHBondContact O-CG1 3.4Å; A499-I503 PolarHBondContact O-N 3.46Å
500	R	88.2	Confident	85.7	Confident	38 Å²	38	32 Å²	32	14%	0.143	16%	0.163	C	C	.	.	H	α-helix	trans	-59.9	-46.4	178.6	-63.2	175.5	82.9	-154.5	-17.9	111.4	I494 Q495 V496 P497 S502 I503 L504 M525 E532 V536	I494-R500 HydrophobicContact CG2-CG 4.21Å; I494-R500 WeakPolarHBondContact O-CD 3.39Å; I494-R500 WeakPolarHBondContact O-CG 3.47Å; I494-R500 PolarHBondContact O-NE 3.48Å; Q495-R500 VanDerWaalsContact O-CD 3.27Å; Q495-R500 WeakPolarHBondContact O-CD 3.35Å; V496-R500 WeakPolarHBondContact O-CG 3.45Å; V496-R500 PolarHBondContact O-N 2.95Å; P497-R500 PolarHBondContact O-N 3.5Å; R500-S502 VanDerWaalsContact C-N 3.29Å; R500-S502 PolarHBondContact O-N 3.13Å; R500-I503 PolarHBondContact O-N 3.02Å; R500-L504 VanDerWaalsContact O-CG 3.27Å; R500-L504 WeakPolarHBondContact O-CG 3.15Å; R500-L504 PolarHBondContact O-N 2.95Å; R500-M525 PolarHBondContact NH2-SD 2.9Å; R500-M525 VanDerWaalsContact NH2-SD 3.44Å; R500-E532 IonicContact CZ-OE1 2.89Å; R500-E532 IonicContact CZ-OE2 3.06Å; R500-E532 IonicContact NH1-OE1 2.71Å; R500-E532 PolarHBondContact NH1-OE1 2.71Å; R500-E532 IonicContact NH1-OE2 3.32Å; R500-E532 PolarHBondContact NH1-OE2 3.29Å; R500-E532 VanDerWaalsContact NH2-CD 3.32Å; R500-E532 IonicContact NH2-OE1 3.75Å; R500-E532 PolarHBondContact NH2-OE1 3.38Å; R500-E532 IonicContact NH2-OE2 2.86Å; R500-E532 PolarHBondContact NH2-OE2 3.5Å; R500-V536 HydrophobicContact CB-CG2 4.34Å
501	A	89.3	Confident	85.7	Confident	5 Å²	5	31 Å²	31	4%	0.041	16%	0.157	C	C	.	.	H	α-helix	trans	-57.8	-40.4	174	0	0	0	0	0	112.3	P497 A499 W505 I535 V536 Q539	P497-A501 VanDerWaalsContact O-CB 3.29Å; P497-A501 WeakPolarHBondContact O-CB 3.45Å; P497-A501 PolarHBondContact O-N 3.29Å; A499-A501 PolarHBondContact O-N 2.97Å; A501-W505 WeakPolarHBondContact O-CB 3.22Å; A501-W505 PolarHBondContact O-N 3.09Å; A501-I535 HydrophobicContact CB-CG2 3.86Å; A501-V536 HydrophobicContact CB-CG2 4.28Å; A501-Q539 HydrophobicContact CB-CG 3.93Å
502	S	88.1	Confident	85.6	Confident	8 Å²	8	38 Å²	38	6%	0.056	19%	0.19	C	C	.	.	H	α-helix	trans	-68.3	-37.9	177.4	-69	0	0	0	0	113.3	M498 A499 R500 L506	M498-S502 VanDerWaalsContact O-CB 3.3Å; M498-S502 WeakPolarHBondContact O-CB 3.43Å; M498-S502 PolarHBondContact O-N 2.88Å; M498-S502 VanDerWaalsContact O-N 3.13Å; M498-S502 PolarHBondContact O-OG 2.92Å; A499-S502 WeakPolarHBondContact O-CB 3.43Å; A499-S502 PolarHBondContact O-N 2.89Å; A499-S502 VanDerWaalsContact O-N 3.09Å; R500-S502 VanDerWaalsContact C-N 3.29Å; R500-S502 PolarHBondContact O-N 3.13Å; S502-L506 WeakPolarHBondContact O-CB 3.18Å; S502-L506 PolarHBondContact O-N 3.39Å
503	I	88.9	Confident	85.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-69.1	-43.2	174.6	-65.7	162.3	0	0	0	111	V466 M487 T491 I494 A499 R500 W505 L506 I507	V466-I503 HydrophobicContact CG1-CD1 4.18Å; V466-I503 HydrophobicContact CG1-CG1 3.77Å; V466-I503 HydrophobicContact CG2-CD1 4.13Å; V466-I503 HydrophobicContact CG2-CG1 4.5Å; M487-I503 HydrophobicContact CB-CG1 4.47Å; M487-I503 HydrophobicContact CB-CG2 4.3Å; M487-I503 HydrophobicContact CE-CG1 4.1Å; T491-I503 HydrophobicContact CG2-CG2 4.49Å; T491-I503 WeakPolarHBondContact OG1-CG2 3.49Å; I494-I503 HydrophobicContact CD1-CD1 3.58Å; A499-I503 WeakPolarHBondContact O-CG1 3.4Å; A499-I503 PolarHBondContact O-N 3.46Å; R500-I503 PolarHBondContact O-N 3.02Å; I503-W505 VanDerWaalsContact C-N 3.31Å; I503-W505 PolarHBondContact O-N 2.8Å; I503-L506 WeakPolarHBondContact O-CB 3.32Å; I503-L506 PolarHBondContact O-N 3.23Å; I503-I507 HydrophobicContact CG2-CD1 3.64Å; I503-I507 HydrophobicContact CG2-CG1 4.32Å; I503-I507 VanDerWaalsContact O-CG1 3.29Å; I503-I507 WeakPolarHBondContact O-CG1 3.33Å; I503-I507 PolarHBondContact O-N 3.09Å
504	L	90.2	Very high	85.3	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-64.6	-36.3	176.5	-66.2	172.7	0	0	0	112.1	R500 G508 V521 M525 V536 Q539 I540 L543	R500-L504 VanDerWaalsContact O-CG 3.27Å; R500-L504 WeakPolarHBondContact O-CG 3.15Å; R500-L504 PolarHBondContact O-N 2.95Å; L504-G508 PolarHBondContact O-N 3.3Å; L504-V521 HydrophobicContact CD2-CG1 3.48Å; L504-V521 VanDerWaalsContact CD2-CG1 3.48Å; L504-M525 HydrophobicContact CD1-CG 4.13Å; L504-M525 HydrophobicContact CD1-SD 4.16Å; L504-M525 HydrophobicContact CD2-CG 3.72Å; L504-M525 HydrophobicContact CD2-SD 4.3Å; L504-V536 HydrophobicContact CD1-CG1 3.81Å; L504-Q539 HydrophobicContact CB-CB 4.17Å; L504-I540 HydrophobicContact CD1-CG1 3.72Å; L504-L543 HydrophobicContact CD2-CD2 3.8Å
505	W	89.8	Confident	85.2	Confident	24 Å²	24	34.7 Å²	34.7	9%	0.091	17%	0.174	C	C	.	.	H	α-helix	trans	-61.1	-48.6	170.9	-179.1	86.2	0	0	0	111.4	K470 Q474 A501 I503 G508 E509 K606	K470-W505 HydrophobicContact CD-CE3 4.07Å; K470-W505 HydrophobicContact CG-CE3 4.01Å; K470-W505 HydrophobicContact CG-CZ3 4.21Å; Q474-W505 HydrophobicContact CG-CH2 3.72Å; Q474-W505 HydrophobicContact CG-CZ3 3.78Å; Q474-W505 VanDerWaalsContact NE2-CH2 3.3Å; A501-W505 WeakPolarHBondContact O-CB 3.22Å; A501-W505 PolarHBondContact O-N 3.09Å; I503-W505 VanDerWaalsContact C-N 3.31Å; I503-W505 PolarHBondContact O-N 2.8Å; W505-G508 CarbonylContact O-C 3.54Å; W505-G508 WeakPolarHBondContact O-CA 3.31Å; W505-G508 PolarHBondContact O-N 3.39Å; W505-G508 VanDerWaalsContact O-N 3.1Å; W505-E509 HydrophobicContact CH2-CB 3.88Å; W505-E509 HydrophobicContact CH2-CG 3.69Å; W505-E509 HydrophobicContact CZ2-CB 4.06Å; W505-E509 VanDerWaalsContact CZ2-CD 3.5Å; W505-E509 HydrophobicContact CZ2-CG 3.83Å; W505-E509 WeakPolarHBondContact CZ2-OE2 3.49Å; W505-E509 HydrophobicContact CZ3-CB 4.23Å; W505-E509 HydrophobicContact CZ3-CG 4.49Å; W505-E509 PolarHBondContact O-N 3.03Å; W505-K606 HydrophobicContact CZ2-CD 4.4Å
506	L	86.8	Confident	85.2	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-60.6	-46.7	-179.4	-172.4	77.8	0	0	0	112.2	L473 I484 M487 S502 I503 G508 E509 Y510	L473-L506 HydrophobicContact CB-CD1 3.96Å; L473-L506 HydrophobicContact CD1-CD1 3.88Å; L473-L506 HydrophobicContact CD1-CD2 3.72Å; L473-L506 HydrophobicContact CD1-CG 4.4Å; I484-L506 HydrophobicContact CG1-CD2 4.13Å; I484-L506 HydrophobicContact CG1-CG 4.37Å; I484-L506 HydrophobicContact CG2-CD2 4.31Å; I484-L506 HydrophobicContact CG2-CG 4.42Å; M487-L506 HydrophobicContact SD-CD2 3.58Å; M487-L506 VanDerWaalsContact SD-CD2 3.58Å; S502-L506 WeakPolarHBondContact O-CB 3.18Å; S502-L506 PolarHBondContact O-N 3.39Å; I503-L506 WeakPolarHBondContact O-CB 3.32Å; I503-L506 PolarHBondContact O-N 3.23Å; L506-G508 VanDerWaalsContact C-N 3.26Å; L506-G508 PolarHBondContact O-N 2.95Å; L506-E509 PolarHBondContact O-N 3.04Å; L506-Y510 HydrophobicContact CD1-CD2 3.82Å; L506-Y510 HydrophobicContact CD1-CE2 3.57Å; L506-Y510 HydrophobicContact CG-CD2 4.17Å; L506-Y510 HydrophobicContact CG-CE2 4.42Å; L506-Y510 PolarHBondContact O-N 3.06Å
507	I	87.9	Confident	85.2	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-64.7	-32.7	175.4	-65.6	167.1	0	0	0	111.1	I484 A488 I503 C511 A518 V521 L543	I484-I507 HydrophobicContact CG2-CG1 4.36Å; A488-I507 HydrophobicContact CB-CD1 3.63Å; A488-I507 HydrophobicContact CB-CG1 4.22Å; I503-I507 HydrophobicContact CG2-CD1 3.64Å; I503-I507 HydrophobicContact CG2-CG1 4.32Å; I503-I507 VanDerWaalsContact O-CG1 3.29Å; I503-I507 WeakPolarHBondContact O-CG1 3.33Å; I503-I507 PolarHBondContact O-N 3.09Å; I507-C511 VanDerWaalsContact O-CA 3.27Å; I507-C511 WeakPolarHBondContact O-CA 3.46Å; I507-C511 VanDerWaalsContact O-CB 3.32Å; I507-C511 WeakPolarHBondContact O-CB 3.36Å; I507-C511 PolarHBondContact O-N 3.5Å; I507-C511 VanDerWaalsContact O-N 3.16Å; I507-A518 HydrophobicContact CG2-CB 3.51Å; I507-V521 HydrophobicContact CD1-CG1 4.21Å; I507-V521 HydrophobicContact CD1-CG2 4.32Å; I507-L543 HydrophobicContact CG2-CD1 4.14Å
508	G	86.8	Confident	85.1	Confident	2 Å²	2	35.3 Å²	35.3	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-72.1	-43.4	176.3	0	0	0	0	0	113.3	L504 W505 L506 K546	L504-G508 PolarHBondContact O-N 3.3Å; W505-G508 CarbonylContact O-C 3.54Å; W505-G508 WeakPolarHBondContact O-CA 3.31Å; W505-G508 PolarHBondContact O-N 3.39Å; W505-G508 VanDerWaalsContact O-N 3.1Å; L506-G508 VanDerWaalsContact C-N 3.26Å; L506-G508 PolarHBondContact O-N 2.95Å; G508-K546 WeakPolarHBondContact O-CD 3.38Å
509	E	84.4	Confident	85.4	Confident	32 Å²	32	32.1 Å²	32.1	15%	0.15	15%	0.154	C	C	.	.	H	α-helix	trans	-62	-53	173.9	-152.4	75.6	-164.6	0	0	110.6	W505 L506 C511 K546	W505-E509 HydrophobicContact CH2-CB 3.88Å; W505-E509 HydrophobicContact CH2-CG 3.69Å; W505-E509 HydrophobicContact CZ2-CB 4.06Å; W505-E509 VanDerWaalsContact CZ2-CD 3.5Å; W505-E509 HydrophobicContact CZ2-CG 3.83Å; W505-E509 WeakPolarHBondContact CZ2-OE2 3.49Å; W505-E509 HydrophobicContact CZ3-CB 4.23Å; W505-E509 HydrophobicContact CZ3-CG 4.49Å; W505-E509 PolarHBondContact O-N 3.03Å; L506-E509 PolarHBondContact O-N 3.04Å; E509-C511 VanDerWaalsContact C-N 3.33Å; E509-C511 PolarHBondContact O-N 3.4Å; E509-K546 IonicContact OE2-NZ 3.65Å; E509-K546 PolarHBondContact OE2-NZ 3.31Å
510	Y	82.8	Confident	85.5	Confident	25 Å²	25	35.4 Å²	35.4	10%	0.098	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	32	-174	-51.4	-46	0	0	0	113.7	L473 P477 I484 L506 E512 H513	L473-Y510 PolarHBondContact O-OH 3.22Å; P477-Y510 HydrophobicContact CB-CD1 4.11Å; P477-Y510 HydrophobicContact CB-CE1 3.42Å; P477-Y510 VanDerWaalsContact CB-CE1 3.42Å; P477-Y510 HydrophobicContact CB-CE2 4.44Å; I484-Y510 HydrophobicContact CD1-CD2 3.5Å; I484-Y510 VanDerWaalsContact CD1-CD2 3.5Å; I484-Y510 HydrophobicContact CD1-CE2 4.36Å; I484-Y510 HydrophobicContact CD1-CG 3.99Å; I484-Y510 HydrophobicContact CG1-CD2 4.44Å; L506-Y510 HydrophobicContact CD1-CD2 3.82Å; L506-Y510 HydrophobicContact CD1-CE2 3.57Å; L506-Y510 HydrophobicContact CG-CD2 4.17Å; L506-Y510 HydrophobicContact CG-CE2 4.42Å; L506-Y510 PolarHBondContact O-N 3.06Å; Y510-E512 PolarHBondContact O-N 2.9Å; Y510-E512 VanDerWaalsContact O-N 3.11Å; Y510-H513 WeakPolarHBondContact O-CB 3.11Å; Y510-H513 PolarHBondContact O-N 3.25Å
511	C	80.6	Confident	85.5	Confident	4 Å²	4	33.8 Å²	33.8	3%	0.027	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-23.6	-175.7	63.8	0	0	0	0	114.1	I507 E509 V514 L547	I507-C511 VanDerWaalsContact O-CA 3.27Å; I507-C511 WeakPolarHBondContact O-CA 3.46Å; I507-C511 VanDerWaalsContact O-CB 3.32Å; I507-C511 WeakPolarHBondContact O-CB 3.36Å; I507-C511 PolarHBondContact O-N 3.5Å; I507-C511 VanDerWaalsContact O-N 3.16Å; E509-C511 VanDerWaalsContact C-N 3.33Å; E509-C511 PolarHBondContact O-N 3.4Å; C511-V514 CarbonylContact O-C 3.2Å; C511-V514 PolarHBondContact O-N 3.39Å; C511-L547 HydrophobicContact CB-CD2 3.9Å
512	E	80.2	Confident	85.6	Confident	148 Å²	148	33.5 Å²	33.5	69%	0.692	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-31.2	174.5	-56.9	-167.2	153.1	0	0	113	Y510 V514 P515	Y510-E512 PolarHBondContact O-N 2.9Å; Y510-E512 VanDerWaalsContact O-N 3.11Å; E512-V514 VanDerWaalsContact C-N 3.35Å; E512-P515 WeakPolarHBondContact O-CD 3.38Å
513	H	78.6	Confident	85.8	Confident	77 Å²	77	38.4 Å²	38.4	36%	0.356	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-17.7	176.9	-67.1	88.6	0	0	0	112.8	Y510 P515	Y510-H513 WeakPolarHBondContact O-CB 3.11Å; Y510-H513 PolarHBondContact O-N 3.25Å; H513-P515 VanDerWaalsContact C-CD 3.45Å
514	V	80.9	Confident	85.8	Confident	5 Å²	5	42.2 Å²	42.2	3%	0.03	20%	0.198	C	C	.	.			trans	-132.2	47.7	-174.5	-150	0	0	0	0	113.4	I484 K485 C511 E512 K516 I517 A518	I484-V514 HydrophobicContact CB-CG2 4.38Å; I484-V514 HydrophobicContact CG2-CG2 3.83Å; K485-V514 HydrophobicContact CG-CG1 4.11Å; C511-V514 CarbonylContact O-C 3.2Å; C511-V514 PolarHBondContact O-N 3.39Å; E512-V514 VanDerWaalsContact C-N 3.35Å; V514-K516 PolarHBondContact O-N 3.41Å; V514-I517 HydrophobicContact CG1-CB 3.62Å; V514-I517 HydrophobicContact CG1-CD1 3.71Å; V514-I517 HydrophobicContact CG1-CG1 3.7Å; V514-I517 PolarHBondContact O-N 2.85Å; V514-I517 VanDerWaalsContact O-N 3.14Å; V514-A518 PolarHBondContact O-N 3.38Å; V514-A518 VanDerWaalsContact O-N 3.09Å
515	P	79.4	Confident	85.9	Confident	70 Å²	70	42.5 Å²	42.5	46%	0.455	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-16.6	-164.8	29	-37.3	0	0	0	114.5	E512 H513 P519	E512-P515 WeakPolarHBondContact O-CD 3.38Å; H513-P515 VanDerWaalsContact C-CD 3.45Å; P515-P519 VanDerWaalsContact O-CD 3.28Å; P515-P519 WeakPolarHBondContact O-CD 3.5Å; P515-P519 WeakPolarHBondContact O-CG 3.49Å
516	K	82.5	Confident	85.9	Confident	177 Å²	177	41.5 Å²	41.5	77%	0.77	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-34.6	175.8	-66.4	-177.3	-179.9	177.9	0	113.6	V514	V514-K516 PolarHBondContact O-N 3.41Å
517	I	85.4	Confident	86.1	Confident	49 Å²	49	49.7 Å²	49.7	25%	0.251	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-32.7	-174.1	-43.8	179.3	0	0	0	110.9	K485 A488 V514 D520 V521	K485-I517 HydrophobicContact CB-CD1 4.34Å; K485-I517 HydrophobicContact CG-CD1 4.27Å; A488-I517 HydrophobicContact CB-CG2 3.94Å; V514-I517 HydrophobicContact CG1-CB 3.62Å; V514-I517 HydrophobicContact CG1-CD1 3.71Å; V514-I517 HydrophobicContact CG1-CG1 3.7Å; V514-I517 PolarHBondContact O-N 2.85Å; V514-I517 VanDerWaalsContact O-N 3.14Å; I517-D520 WeakPolarHBondContact O-CA 3.38Å; I517-D520 WeakPolarHBondContact O-CB 3.34Å; I517-D520 PolarHBondContact O-N 2.94Å; I517-V521 HydrophobicContact CG2-CG2 4.1Å; I517-V521 PolarHBondContact O-N 3.47Å
518	A	86.2	Confident	86.1	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.5	-42	-179.2	0	0	0	0	0	114.3	I507 V514 D520 L522 L547	I507-A518 HydrophobicContact CG2-CB 3.51Å; V514-A518 PolarHBondContact O-N 3.38Å; V514-A518 VanDerWaalsContact O-N 3.09Å; A518-D520 VanDerWaalsContact C-N 3.27Å; A518-D520 PolarHBondContact O-N 3.23Å; A518-L522 WeakPolarHBondContact O-CB 3.45Å; A518-L522 PolarHBondContact O-N 3.44Å; A518-L547 HydrophobicContact CB-CD1 4.14Å; A518-L547 HydrophobicContact CB-CD2 3.79Å; A518-L547 WeakPolarHBondContact O-CD1 3.37Å
519	P	88.9	Confident	86.3	Confident	8 Å²	8	51.1 Å²	51.1	5%	0.052	24%	0.242	C	C	.	.	H	α-helix	trans	-63.4	-32	171.3	-22.4	34.9	0	0	0	113.4	P515 R523 T555	P515-P519 VanDerWaalsContact O-CD 3.28Å; P515-P519 WeakPolarHBondContact O-CD 3.5Å; P515-P519 WeakPolarHBondContact O-CG 3.49Å; P519-R523 VanDerWaalsContact O-CB 3.28Å; P519-R523 WeakPolarHBondContact O-CB 3.47Å; P519-R523 PolarHBondContact O-N 3.33Å; P519-T555 HydrophobicContact CB-CG2 4.04Å; P519-T555 HydrophobicContact CG-CG2 4.09Å
520	D	89.1	Confident	86.6	Confident	70 Å²	70	53.9 Å²	53.9	37%	0.374	26%	0.261	S	S	.	.	H	α-helix	trans	-73.4	-40.9	-179.9	-86.9	24.1	0	0	0	112.1	I517 A518 R523 K524	I517-D520 WeakPolarHBondContact O-CA 3.38Å; I517-D520 WeakPolarHBondContact O-CB 3.34Å; I517-D520 PolarHBondContact O-N 2.94Å; A518-D520 VanDerWaalsContact C-N 3.27Å; A518-D520 PolarHBondContact O-N 3.23Å; D520-R523 WeakPolarHBondContact O-CB 3.43Å; D520-R523 PolarHBondContact O-N 3.33Å; D520-R523 IonicContact OD1-CZ 2.57Å; D520-R523 IonicContact OD1-NE 3.69Å; D520-R523 IonicContact OD1-NH2 3.79Å; D520-R523 PolarHBondContact OD1-NH2 3.18Å; D520-R523 IonicContact OD2-CZ 3.95Å; D520-R523 IonicContact OD2-NH2 3.71Å; D520-R523 PolarHBondContact OD2-NH2 3.35Å; D520-K524 PolarHBondContact O-N 2.86Å
521	V	89.7	Confident	86.9	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.018	29%	0.286	C	S	.	.	H	α-helix	trans	-64.2	-46.1	171.1	171.2	0	0	0	0	110.4	A488 T491 L504 I507 I517 R523 K524 M525	A488-V521 HydrophobicContact CB-CG2 4.41Å; T491-V521 HydrophobicContact CG2-CG1 4.39Å; L504-V521 HydrophobicContact CD2-CG1 3.48Å; L504-V521 VanDerWaalsContact CD2-CG1 3.48Å; I507-V521 HydrophobicContact CD1-CG1 4.21Å; I507-V521 HydrophobicContact CD1-CG2 4.32Å; I517-V521 HydrophobicContact CG2-CG2 4.1Å; I517-V521 PolarHBondContact O-N 3.47Å; V521-R523 VanDerWaalsContact C-N 3.26Å; V521-R523 PolarHBondContact O-N 2.74Å; V521-K524 PolarHBondContact O-N 3.19Å; V521-M525 HydrophobicContact CG1-CG 4.23Å; V521-M525 WeakPolarHBondContact O-CG 3.42Å; V521-M525 PolarHBondContact O-N 2.62Å
522	L	91.2	Very high	87.4	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-56.3	-41.9	173.2	176.8	63.2	0	0	0	111.4	A518 K524 M525 A526 I540 L543 A544 L547 L558 V562	A518-L522 WeakPolarHBondContact O-CB 3.45Å; A518-L522 PolarHBondContact O-N 3.44Å; L522-K524 VanDerWaalsContact C-N 3.34Å; L522-K524 PolarHBondContact O-N 3.07Å; L522-M525 PolarHBondContact O-N 3.01Å; L522-A526 WeakPolarHBondContact O-CB 3.17Å; L522-A526 PolarHBondContact O-N 3.32Å; L522-I540 HydrophobicContact CD1-CG2 4.04Å; L522-L543 HydrophobicContact CB-CD2 4.33Å; L522-A544 HydrophobicContact CD1-CB 3.87Å; L522-A544 HydrophobicContact CD2-CB 4.18Å; L522-L547 HydrophobicContact CB-CD1 3.99Å; L522-L547 HydrophobicContact CD2-CD1 3.9Å; L522-L558 HydrophobicContact CD2-CB 4.13Å; L522-L558 HydrophobicContact CG-CB 4.46Å; L522-V562 HydrophobicContact CD1-CG2 4.4Å
523	R	91.9	Very high	87.9	Confident	111 Å²	111	56.4 Å²	56.4	42%	0.419	28%	0.277	S	S	.	.	H	α-helix	trans	-65.2	-30.2	176.6	169.7	168.4	52.4	81.8	-18.1	113.6	P519 D520 V521 L558	P519-R523 VanDerWaalsContact O-CB 3.28Å; P519-R523 WeakPolarHBondContact O-CB 3.47Å; P519-R523 PolarHBondContact O-N 3.33Å; D520-R523 WeakPolarHBondContact O-CB 3.43Å; D520-R523 PolarHBondContact O-N 3.33Å; D520-R523 IonicContact OD1-CZ 2.57Å; D520-R523 IonicContact OD1-NE 3.69Å; D520-R523 IonicContact OD1-NH2 3.79Å; D520-R523 PolarHBondContact OD1-NH2 3.18Å; D520-R523 IonicContact OD2-CZ 3.95Å; D520-R523 IonicContact OD2-NH2 3.71Å; D520-R523 PolarHBondContact OD2-NH2 3.35Å; V521-R523 VanDerWaalsContact C-N 3.26Å; V521-R523 PolarHBondContact O-N 2.74Å; R523-L558 HydrophobicContact CB-CD1 4Å; R523-L558 HydrophobicContact CB-CD2 4.22Å; R523-L558 HydrophobicContact CG-CD2 4.47Å
524	K	89.6	Confident	88.6	Confident	79 Å²	79	55 Å²	55	34%	0.343	27%	0.272	S	S	.	.	H	α-helix	trans	-73.6	-54.8	171.3	-67.5	-174.8	-165.9	179.6	0	110.9	D492 D520 V521 L522 A526 K527	D492-K524 WeakPolarHBondContact OD1-CD 3.49Å; D492-K524 IonicContact OD1-NZ 2.86Å; D492-K524 PolarHBondContact OD1-NZ 3.48Å; D492-K524 IonicContact OD2-NZ 2.69Å; D492-K524 PolarHBondContact OD2-NZ 3.24Å; D520-K524 PolarHBondContact O-N 2.86Å; V521-K524 PolarHBondContact O-N 3.19Å; L522-K524 VanDerWaalsContact C-N 3.34Å; L522-K524 PolarHBondContact O-N 3.07Å; K524-A526 PolarHBondContact O-N 3.13Å; K524-K527 WeakPolarHBondContact O-CB 3.46Å; K524-K527 PolarHBondContact O-N 3.17Å
525	M	90.3	Very high	89.1	Confident	7 Å²	7	59.6 Å²	59.6	3%	0.034	30%	0.295	C	S	.	.	H	α-helix	trans	-62.2	-30.3	-177.6	-59.5	-63.3	91.3	0	0	112.9	T491 R500 L504 V521 L522 K527 S528 F529 I540	T491-M525 HydrophobicContact CG2-SD 4.43Å; R500-M525 PolarHBondContact NH2-SD 2.9Å; R500-M525 VanDerWaalsContact NH2-SD 3.44Å; L504-M525 HydrophobicContact CD1-CG 4.13Å; L504-M525 HydrophobicContact CD1-SD 4.16Å; L504-M525 HydrophobicContact CD2-CG 3.72Å; L504-M525 HydrophobicContact CD2-SD 4.3Å; V521-M525 HydrophobicContact CG1-CG 4.23Å; V521-M525 WeakPolarHBondContact O-CG 3.42Å; V521-M525 PolarHBondContact O-N 2.62Å; L522-M525 PolarHBondContact O-N 3.01Å; M525-K527 PolarHBondContact O-N 3.33Å; M525-S528 PolarHBondContact O-N 3.38Å; M525-S528 PolarHBondContact O-OG 2.85Å; M525-F529 WeakPolarHBondContact O-CA 3.35Å; M525-F529 WeakPolarHBondContact O-CB 3.39Å; M525-F529 PolarHBondContact O-N 3.18Å; M525-I540 HydrophobicContact CB-CD1 3.77Å; M525-I540 HydrophobicContact CB-CG1 3.9Å; M525-I540 HydrophobicContact CB-CG2 4.37Å; M525-I540 HydrophobicContact CG-CG1 4.45Å
526	A	90.4	Very high	89.8	Confident	3 Å²	3	56.3 Å²	56.3	3%	0.025	27%	0.274	C	S	.	.	H	α-helix	trans	-64.1	-22.9	173	0	0	0	0	0	113.6	L522 K524 Y561 V562	L522-A526 WeakPolarHBondContact O-CB 3.17Å; L522-A526 PolarHBondContact O-N 3.32Å; K524-A526 PolarHBondContact O-N 3.13Å; A526-Y561 HydrophobicContact CB-CD1 4.29Å; A526-Y561 WeakPolarHBondContact O-CE1 3.38Å; A526-V562 HydrophobicContact CB-CG2 3.61Å
527	K	90.8	Very high	90.3	Very high	172 Å²	172	48.7 Å²	48.7	75%	0.748	24%	0.241	S	C	*	.	H	α-helix	trans	-79.4	-37.2	173.7	-66.2	-177.5	174.5	-170.2	0	112.5	K524 M525	K524-K527 WeakPolarHBondContact O-CB 3.46Å; K524-K527 PolarHBondContact O-N 3.17Å; M525-K527 PolarHBondContact O-N 3.33Å
528	S	88.6	Confident	90.6	Very high	33 Å²	33	48.3 Å²	48.3	23%	0.231	24%	0.239	C	C	.	.	H	α-helix	trans	-90.3	-12.8	-177.3	55.4	0	0	0	0	113.7	M525 T530 N531 E532	M525-S528 PolarHBondContact O-N 3.38Å; M525-S528 PolarHBondContact O-OG 2.85Å; S528-T530 PolarHBondContact O-N 2.89Å; S528-N531 WeakPolarHBondContact O-CA 3.49Å; S528-N531 WeakPolarHBondContact O-CB 3.37Å; S528-N531 PolarHBondContact O-N 3.32Å; S528-E532 WeakPolarHBondContact CB-OE1 3.35Å; S528-E532 PolarHBondContact O-N 2.86Å; S528-E532 PolarHBondContact OG-OE1 3.23Å
529	F	91.1	Very high	90.9	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-38.1	-41.6	-172.3	-175.8	-88	0	0	0	116.5	M525 N531 E532 K537 I540 V562 L565 A566 I574	M525-F529 WeakPolarHBondContact O-CA 3.35Å; M525-F529 WeakPolarHBondContact O-CB 3.39Å; M525-F529 PolarHBondContact O-N 3.18Å; F529-N531 PolarHBondContact O-N 3.05Å; F529-E532 PolarHBondContact O-N 3.29Å; F529-K537 HydrophobicContact CD2-CG 4.38Å; F529-K537 HydrophobicContact CE1-CD 4.35Å; F529-K537 HydrophobicContact CE1-CG 4.35Å; F529-K537 HydrophobicContact CE2-CB 3.79Å; F529-K537 HydrophobicContact CE2-CG 4.02Å; F529-K537 HydrophobicContact CZ-CB 3.88Å; F529-K537 HydrophobicContact CZ-CD 4.25Å; F529-K537 HydrophobicContact CZ-CG 3.99Å; F529-I540 HydrophobicContact CD2-CB 4.14Å; F529-I540 HydrophobicContact CD2-CD1 3.86Å; F529-I540 HydrophobicContact CD2-CG2 3.95Å; F529-I540 HydrophobicContact CE2-CB 4.25Å; F529-I540 HydrophobicContact CE2-CG2 4.33Å; F529-V562 HydrophobicContact CD2-CG1 4.16Å; F529-V562 HydrophobicContact CE2-CG1 4Å; F529-L565 HydrophobicContact CB-CD1 4.08Å; F529-L565 HydrophobicContact CD1-CB 3.91Å; F529-L565 HydrophobicContact CD1-CD1 4.12Å; F529-L565 HydrophobicContact CE1-CB 4.16Å; F529-L565 HydrophobicContact CG-CD1 4.31Å; F529-A566 HydrophobicContact CE1-CB 4.08Å; F529-A566 HydrophobicContact CZ-CB 3.75Å; F529-I574 HydrophobicContact CZ-CG2 4.42Å
530	T	90.1	Very high	91.1	Very high	89 Å²	89	49.7 Å²	49.7	55%	0.546	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-68.5	-22.4	179.8	49.1	0	0	0	0	114.1	S528	S528-T530 PolarHBondContact O-N 2.89Å
531	N	90.1	Very high	91.3	Very high	116 Å²	116	46.4 Å²	46.4	62%	0.62	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-106.3	2	-174.9	-52.4	10	0	0	0	111.5	S528 F529	S528-N531 WeakPolarHBondContact O-CA 3.49Å; S528-N531 WeakPolarHBondContact O-CB 3.37Å; S528-N531 PolarHBondContact O-N 3.32Å; F529-N531 PolarHBondContact O-N 3.05Å
532	E	90.2	Very high	91.4	Very high	14 Å²	14	48 Å²	48	7%	0.065	24%	0.236	C	C	.	.	S	Bend	trans	-84.5	155.1	177.9	-60.5	-61.7	169.8	0	0	111.4	R500 S528 F529 V536 K537 I540	R500-E532 IonicContact CZ-OE1 2.89Å; R500-E532 IonicContact CZ-OE2 3.06Å; R500-E532 IonicContact NH1-OE1 2.71Å; R500-E532 PolarHBondContact NH1-OE1 2.71Å; R500-E532 IonicContact NH1-OE2 3.32Å; R500-E532 PolarHBondContact NH1-OE2 3.29Å; R500-E532 VanDerWaalsContact NH2-CD 3.32Å; R500-E532 IonicContact NH2-OE1 3.75Å; R500-E532 PolarHBondContact NH2-OE1 3.38Å; R500-E532 IonicContact NH2-OE2 2.86Å; R500-E532 PolarHBondContact NH2-OE2 3.5Å; S528-E532 WeakPolarHBondContact CB-OE1 3.35Å; S528-E532 PolarHBondContact O-N 2.86Å; S528-E532 PolarHBondContact OG-OE1 3.23Å; F529-E532 PolarHBondContact O-N 3.29Å; E532-V536 HydrophobicContact CB-CB 4.18Å; E532-V536 HydrophobicContact CB-CG1 4.22Å; E532-V536 HydrophobicContact CG-CG1 4.27Å; E532-K537 HydrophobicContact CB-CG 4.03Å; E532-K537 WeakPolarHBondContact O-CE 3.29Å; E532-I540 HydrophobicContact CG-CD1 4.03Å
533	E	91.7	Very high	91.4	Very high	101 Å²	101	48.1 Å²	48.1	47%	0.472	24%	0.236	S	C	.	.			trans	-69.7	152.8	168.1	-76.7	-59.2	153	0	0	112.4	P497 I535 V536 K537	P497-E533 HydrophobicContact CB-CB 3.86Å; P497-E533 HydrophobicContact CB-CG 3.98Å; P497-E533 HydrophobicContact CG-CB 3.98Å; P497-E533 HydrophobicContact CG-CG 3.53Å; E533-I535 VanDerWaalsContact C-N 3.29Å; E533-I535 PolarHBondContact O-N 3.02Å; E533-V536 HydrophobicContact CB-CG2 4.4Å; E533-V536 WeakPolarHBondContact O-CA 3.33Å; E533-V536 WeakPolarHBondContact O-CB 3.44Å; E533-V536 PolarHBondContact O-N 2.99Å; E533-K537 PolarHBondContact O-N 3.19Å
534	D	93.1	Very high	91.4	Very high	47 Å²	47	42.9 Å²	42.9	25%	0.251	22%	0.217	S	C	.	.	H	α-helix	trans	-60.4	-35.6	-171.9	-76.3	-12.3	0	0	0	113.6	V536 K537 L538 N571 I574	D534-V536 VanDerWaalsContact C-N 3.26Å; D534-V536 PolarHBondContact O-N 2.63Å; D534-K537 PolarHBondContact O-N 2.69Å; D534-K537 WeakPolarHBondContact OD1-CD 3.33Å; D534-K537 WeakPolarHBondContact OD1-CE 3.49Å; D534-K537 IonicContact OD1-NZ 3.37Å; D534-K537 PolarHBondContact OD1-NZ 2.97Å; D534-L538 WeakPolarHBondContact O-CG 3.48Å; D534-L538 PolarHBondContact O-N 2.96Å; D534-N571 WeakPolarHBondContact OD2-CB 3.36Å; D534-N571 PolarHBondContact OD2-ND2 3.21Å; D534-I574 HydrophobicContact CB-CD1 3.76Å; D534-I574 VanDerWaalsContact OD1-CD1 3.28Å; D534-I574 WeakPolarHBondContact OD1-CD1 3.29Å
535	I	91.4	Very high	91.4	Very high	102 Å²	102	39.1 Å²	39.1	52%	0.523	20%	0.2	S	C	.	.	H	α-helix	trans	-60.7	-37.2	174	-54.3	174.6	0	0	0	110.8	A501 E533 Q539	A501-I535 HydrophobicContact CB-CG2 3.86Å; E533-I535 VanDerWaalsContact C-N 3.29Å; E533-I535 PolarHBondContact O-N 3.02Å; I535-Q539 WeakPolarHBondContact O-CG 3.41Å; I535-Q539 PolarHBondContact O-N 2.89Å
536	V	93.1	Very high	91.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-74.4	-47.7	178.1	-176	0	0	0	0	109.9	P497 R500 A501 L504 E532 E533 D534 L538 Q539 I540	P497-V536 HydrophobicContact CB-CG2 3.95Å; P497-V536 WeakPolarHBondContact O-CG2 3.44Å; R500-V536 HydrophobicContact CB-CG2 4.34Å; A501-V536 HydrophobicContact CB-CG2 4.28Å; L504-V536 HydrophobicContact CD1-CG1 3.81Å; E532-V536 HydrophobicContact CB-CB 4.18Å; E532-V536 HydrophobicContact CB-CG1 4.22Å; E532-V536 HydrophobicContact CG-CG1 4.27Å; E533-V536 HydrophobicContact CB-CG2 4.4Å; E533-V536 WeakPolarHBondContact O-CA 3.33Å; E533-V536 WeakPolarHBondContact O-CB 3.44Å; E533-V536 PolarHBondContact O-N 2.99Å; D534-V536 VanDerWaalsContact C-N 3.26Å; D534-V536 PolarHBondContact O-N 2.63Å; V536-L538 VanDerWaalsContact C-N 3.29Å; V536-L538 PolarHBondContact O-N 3Å; V536-Q539 CarbonylContact O-C 3.51Å; V536-Q539 PolarHBondContact O-N 2.95Å; V536-I540 HydrophobicContact CG1-CD1 4Å; V536-I540 HydrophobicContact CG1-CG1 4.35Å; V536-I540 WeakPolarHBondContact O-CG1 3.41Å; V536-I540 PolarHBondContact O-N 3.06Å
537	K	93.8	Very high	91.2	Very high	18 Å²	18	39.6 Å²	39.6	8%	0.078	20%	0.202	C	C	.	.	H	α-helix	trans	-52.4	-44.3	175.9	-67.4	176.7	-174	162.7	0	112.4	F529 E532 E533 D534 Q539 I540 L541 D569 I574	F529-K537 HydrophobicContact CD2-CG 4.38Å; F529-K537 HydrophobicContact CE1-CD 4.35Å; F529-K537 HydrophobicContact CE1-CG 4.35Å; F529-K537 HydrophobicContact CE2-CB 3.79Å; F529-K537 HydrophobicContact CE2-CG 4.02Å; F529-K537 HydrophobicContact CZ-CB 3.88Å; F529-K537 HydrophobicContact CZ-CD 4.25Å; F529-K537 HydrophobicContact CZ-CG 3.99Å; E532-K537 HydrophobicContact CB-CG 4.03Å; E532-K537 WeakPolarHBondContact O-CE 3.29Å; E533-K537 PolarHBondContact O-N 3.19Å; D534-K537 PolarHBondContact O-N 2.69Å; D534-K537 WeakPolarHBondContact OD1-CD 3.33Å; D534-K537 WeakPolarHBondContact OD1-CE 3.49Å; D534-K537 IonicContact OD1-NZ 3.37Å; D534-K537 PolarHBondContact OD1-NZ 2.97Å; K537-Q539 VanDerWaalsContact C-N 3.34Å; K537-Q539 PolarHBondContact O-N 2.86Å; K537-I540 PolarHBondContact O-N 3.15Å; K537-L541 PolarHBondContact O-N 2.85Å; K537-D569 VanDerWaalsContact CD-OD2 3.3Å; K537-D569 WeakPolarHBondContact CD-OD2 3.23Å; K537-D569 VanDerWaalsContact CE-OD2 3.23Å; K537-D569 WeakPolarHBondContact CE-OD2 3.37Å; K537-D569 VanDerWaalsContact NZ-CG 3.35Å; K537-D569 IonicContact NZ-OD1 3.45Å; K537-D569 PolarHBondContact NZ-OD1 2.81Å; K537-D569 IonicContact NZ-OD2 3.53Å; K537-D569 PolarHBondContact NZ-OD2 3.46Å; K537-I574 HydrophobicContact CB-CD1 3.73Å; K537-I574 HydrophobicContact CD-CD1 3.45Å; K537-I574 VanDerWaalsContact CD-CD1 3.45Å; K537-I574 HydrophobicContact CG-CD1 4.28Å
538	L	92.5	Very high	91.1	Very high	41 Å²	41	32.3 Å²	32.3	22%	0.215	17%	0.17	C	C	.	.	H	α-helix	trans	-61.2	-38.5	176.6	-74.6	171.1	0	0	0	112.7	D534 V536 L541 N542 D573 I574 R577	D534-L538 WeakPolarHBondContact O-CG 3.48Å; D534-L538 PolarHBondContact O-N 2.96Å; V536-L538 VanDerWaalsContact C-N 3.29Å; V536-L538 PolarHBondContact O-N 3Å; L538-L541 PolarHBondContact O-N 2.99Å; L538-N542 PolarHBondContact O-N 2.73Å; L538-N542 VanDerWaalsContact O-N 3.07Å; L538-N542 PolarHBondContact O-ND2 2.92Å; L538-D573 WeakPolarHBondContact CD2-OD2 3.35Å; L538-I574 HydrophobicContact CD2-CG1 3.95Å; L538-I574 HydrophobicContact CG-CG1 4.07Å; L538-R577 HydrophobicContact CD2-CB 4.26Å; L538-R577 HydrophobicContact CD2-CG 4.15Å
539	Q	92.4	Very high	90.9	Very high	37 Å²	37	31.9 Å²	31.9	17%	0.173	17%	0.165	C	C	.	.	H	α-helix	trans	-76.4	-29.6	174.7	-56.6	-55.6	-12.5	0	0	113.1	A501 L504 I535 V536 K537 L541 N542 L543	A501-Q539 HydrophobicContact CB-CG 3.93Å; L504-Q539 HydrophobicContact CB-CB 4.17Å; I535-Q539 WeakPolarHBondContact O-CG 3.41Å; I535-Q539 PolarHBondContact O-N 2.89Å; V536-Q539 CarbonylContact O-C 3.51Å; V536-Q539 PolarHBondContact O-N 2.95Å; K537-Q539 VanDerWaalsContact C-N 3.34Å; K537-Q539 PolarHBondContact O-N 2.86Å; Q539-L541 VanDerWaalsContact C-N 3.32Å; Q539-N542 PolarHBondContact O-N 3.44Å; Q539-N542 PolarHBondContact OE1-ND2 3.19Å; Q539-L543 VanDerWaalsContact O-CB 3.26Å; Q539-L543 WeakPolarHBondContact O-CB 3.36Å; Q539-L543 PolarHBondContact O-N 2.89Å
540	I	93.3	Very high	90.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-41.5	169.8	-60.8	164.8	0	0	0	110.1	L504 L522 M525 F529 E532 V536 K537 L543 A544 V562	L504-I540 HydrophobicContact CD1-CG1 3.72Å; L522-I540 HydrophobicContact CD1-CG2 4.04Å; M525-I540 HydrophobicContact CB-CD1 3.77Å; M525-I540 HydrophobicContact CB-CG1 3.9Å; M525-I540 HydrophobicContact CB-CG2 4.37Å; M525-I540 HydrophobicContact CG-CG1 4.45Å; F529-I540 HydrophobicContact CD2-CB 4.14Å; F529-I540 HydrophobicContact CD2-CD1 3.86Å; F529-I540 HydrophobicContact CD2-CG2 3.95Å; F529-I540 HydrophobicContact CE2-CB 4.25Å; F529-I540 HydrophobicContact CE2-CG2 4.33Å; E532-I540 HydrophobicContact CG-CD1 4.03Å; V536-I540 HydrophobicContact CG1-CD1 4Å; V536-I540 HydrophobicContact CG1-CG1 4.35Å; V536-I540 WeakPolarHBondContact O-CG1 3.41Å; V536-I540 PolarHBondContact O-N 3.06Å; K537-I540 PolarHBondContact O-N 3.15Å; I540-L543 PolarHBondContact O-N 2.98Å; I540-A544 VanDerWaalsContact O-CB 3.31Å; I540-A544 WeakPolarHBondContact O-CB 3.34Å; I540-A544 PolarHBondContact O-N 2.9Å; I540-V562 HydrophobicContact CG2-CG1 4.08Å; I540-V562 HydrophobicContact CG2-CG2 4.43Å
541	L	92.8	Very high	90.3	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-62.2	-45.1	173.7	-77.5	169.9	0	0	0	112.3	K537 L538 Q539 A544 A545 V562 L563 A566 I574 A578 I581	K537-L541 PolarHBondContact O-N 2.85Å; L538-L541 PolarHBondContact O-N 2.99Å; Q539-L541 VanDerWaalsContact C-N 3.32Å; L541-A544 PolarHBondContact O-N 3.38Å; L541-A545 VanDerWaalsContact O-CB 3.32Å; L541-A545 WeakPolarHBondContact O-CB 3.32Å; L541-A545 PolarHBondContact O-N 3.31Å; L541-V562 HydrophobicContact CD2-CG1 3.99Å; L541-L563 HydrophobicContact CD2-CD2 3.8Å; L541-A566 HydrophobicContact CD1-CB 4.16Å; L541-A566 HydrophobicContact CD2-CB 3.89Å; L541-A566 HydrophobicContact CG-CB 4.43Å; L541-I574 HydrophobicContact CD1-CG2 3.97Å; L541-A578 HydrophobicContact CD1-CB 4.38Å; L541-A578 HydrophobicContact CD2-CB 4.23Å; L541-I581 HydrophobicContact CB-CD1 4.04Å
542	N	91.2	Very high	89.8	Confident	37 Å²	37	28.4 Å²	28.4	20%	0.198	15%	0.149	C	C	.	.	H	α-helix	trans	-63.3	-42.1	175.5	-70.3	-33.3	0	0	0	112.2	L538 Q539 A545 K546	L538-N542 PolarHBondContact O-N 2.73Å; L538-N542 VanDerWaalsContact O-N 3.07Å; L538-N542 PolarHBondContact O-ND2 2.92Å; Q539-N542 PolarHBondContact O-N 3.44Å; Q539-N542 PolarHBondContact OE1-ND2 3.19Å; N542-A545 WeakPolarHBondContact O-CB 3.38Å; N542-A545 PolarHBondContact O-N 2.98Å; N542-K546 WeakPolarHBondContact O-CG 3.39Å; N542-K546 PolarHBondContact O-N 3.37Å
543	L	91.1	Very high	89.4	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-62.6	-46.5	176.7	176.5	61.8	0	0	0	111.2	L504 I507 L522 Q539 I540 A545 K546 L547	L504-L543 HydrophobicContact CD2-CD2 3.8Å; I507-L543 HydrophobicContact CG2-CD1 4.14Å; L522-L543 HydrophobicContact CB-CD2 4.33Å; Q539-L543 VanDerWaalsContact O-CB 3.26Å; Q539-L543 WeakPolarHBondContact O-CB 3.36Å; Q539-L543 PolarHBondContact O-N 2.89Å; I540-L543 PolarHBondContact O-N 2.98Å; L543-A545 PolarHBondContact O-N 2.7Å; L543-K546 PolarHBondContact O-N 2.87Å; L543-L547 HydrophobicContact CD1-CD1 3.66Å; L543-L547 HydrophobicContact CD1-CG 4.01Å; L543-L547 HydrophobicContact CG-CD1 3.87Å; L543-L547 VanDerWaalsContact O-CB 3.3Å; L543-L547 WeakPolarHBondContact O-CB 3.27Å; L543-L547 WeakPolarHBondContact O-CG 3.37Å; L543-L547 PolarHBondContact O-N 3.19Å
544	A	91.3	Very high	89	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-62.2	-41.4	176.5	0	0	0	0	0	112.1	L522 I540 L541 Y548 T559	L522-A544 HydrophobicContact CD1-CB 3.87Å; L522-A544 HydrophobicContact CD2-CB 4.18Å; I540-A544 VanDerWaalsContact O-CB 3.31Å; I540-A544 WeakPolarHBondContact O-CB 3.34Å; I540-A544 PolarHBondContact O-N 2.9Å; L541-A544 PolarHBondContact O-N 3.38Å; A544-Y548 WeakPolarHBondContact O-CB 3.43Å; A544-Y548 PolarHBondContact O-N 2.75Å; A544-T559 HydrophobicContact CB-CG2 3.97Å; A544-T559 PolarHBondContact O-OG1 3.38Å
545	A	89.9	Confident	88.6	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.4	-51.4	175.5	0	0	0	0	0	112.3	L541 N542 L543 Y548 L549 I581 I585 F602	L541-A545 VanDerWaalsContact O-CB 3.32Å; L541-A545 WeakPolarHBondContact O-CB 3.32Å; L541-A545 PolarHBondContact O-N 3.31Å; N542-A545 WeakPolarHBondContact O-CB 3.38Å; N542-A545 PolarHBondContact O-N 2.98Å; L543-A545 PolarHBondContact O-N 2.7Å; A545-Y548 PolarHBondContact O-N 3.28Å; A545-L549 WeakPolarHBondContact O-CG 3.21Å; A545-L549 PolarHBondContact O-N 3.04Å; A545-I581 HydrophobicContact CB-CG2 3.82Å; A545-I585 HydrophobicContact CB-CD1 3.5Å; A545-F602 HydrophobicContact CB-CD1 4.22Å; A545-F602 HydrophobicContact CB-CE1 4.22Å
546	K	89.3	Confident	88.4	Confident	17 Å²	17	36.4 Å²	36.4	7%	0.074	18%	0.177	C	C	.	.	H	α-helix	trans	-64.7	-46	179	-68.4	-176.1	-176.7	-168.6	0	112.2	G508 E509 N542 L543 Y548 L549 T550 F602 L603	G508-K546 WeakPolarHBondContact O-CD 3.38Å; E509-K546 IonicContact OE2-NZ 3.65Å; E509-K546 PolarHBondContact OE2-NZ 3.31Å; N542-K546 WeakPolarHBondContact O-CG 3.39Å; N542-K546 PolarHBondContact O-N 3.37Å; L543-K546 PolarHBondContact O-N 2.87Å; K546-Y548 VanDerWaalsContact C-N 3.28Å; K546-Y548 PolarHBondContact O-N 2.91Å; K546-L549 WeakPolarHBondContact O-CB 3.43Å; K546-L549 PolarHBondContact O-N 3.18Å; K546-T550 PolarHBondContact O-N 2.94Å; K546-T550 VanDerWaalsContact O-N 3.08Å; K546-T550 PolarHBondContact O-OG1 2.67Å; K546-F602 WeakPolarHBondContact CE-O 3.32Å; K546-F602 HydrophobicContact CG-CB 4.37Å; K546-L603 HydrophobicContact CB-CD2 4.23Å; K546-L603 HydrophobicContact CD-CD2 4.34Å; K546-L603 HydrophobicContact CG-CD2 4.09Å
547	L	88	Confident	88.2	Confident	3 Å²	3	43 Å²	43	2%	0.016	21%	0.212	C	C	.	.	H	α-helix	trans	-64	-29.9	-179.8	-77.5	176	0	0	0	113.6	C511 A518 L522 L543 L549 N551 T555	C511-L547 HydrophobicContact CB-CD2 3.9Å; A518-L547 HydrophobicContact CB-CD1 4.14Å; A518-L547 HydrophobicContact CB-CD2 3.79Å; A518-L547 WeakPolarHBondContact O-CD1 3.37Å; L522-L547 HydrophobicContact CB-CD1 3.99Å; L522-L547 HydrophobicContact CD2-CD1 3.9Å; L543-L547 HydrophobicContact CD1-CD1 3.66Å; L543-L547 HydrophobicContact CD1-CG 4.01Å; L543-L547 HydrophobicContact CG-CD1 3.87Å; L543-L547 VanDerWaalsContact O-CB 3.3Å; L543-L547 WeakPolarHBondContact O-CB 3.27Å; L543-L547 WeakPolarHBondContact O-CG 3.37Å; L543-L547 PolarHBondContact O-N 3.19Å; L547-L549 VanDerWaalsContact C-N 3.31Å; L547-N551 CarbonylContact O-C 3.57Å; L547-N551 WeakPolarHBondContact O-CA 3.16Å; L547-N551 PolarHBondContact O-N 2.87Å; L547-T555 VanDerWaalsContact C-OG1 3.3Å; L547-T555 HydrophobicContact CB-CG2 3.81Å; L547-T555 HydrophobicContact CD1-CG2 4.49Å; L547-T555 PolarHBondContact O-OG1 3.06Å
548	Y	87.8	Confident	88	Confident	18 Å²	18	44 Å²	44	7%	0.071	22%	0.218	C	C	.	.	H	α-helix	trans	-64.2	-37.6	171	-167.8	-74.6	0	0	0	112	A544 A545 K546 S552 T555 K556 T559 I585 P587	A544-Y548 WeakPolarHBondContact O-CB 3.43Å; A544-Y548 PolarHBondContact O-N 2.75Å; A545-Y548 PolarHBondContact O-N 3.28Å; K546-Y548 VanDerWaalsContact C-N 3.28Å; K546-Y548 PolarHBondContact O-N 2.91Å; Y548-S552 VanDerWaalsContact O-CA 3.31Å; Y548-S552 WeakPolarHBondContact O-CA 3.35Å; Y548-S552 WeakPolarHBondContact O-CB 3.35Å; Y548-S552 PolarHBondContact O-N 2.85Å; Y548-S552 PolarHBondContact O-OG 2.91Å; Y548-T555 WeakPolarHBondContact CA-OG1 3.43Å; Y548-T555 PolarHBondContact N-OG1 3.46Å; Y548-K556 HydrophobicContact CD2-CB 4.39Å; Y548-K556 HydrophobicContact CE2-CB 4.02Å; Y548-K556 HydrophobicContact CE2-CG 3.82Å; Y548-T559 HydrophobicContact CD2-CG2 3.85Å; Y548-T559 HydrophobicContact CG-CG2 4.48Å; Y548-I585 HydrophobicContact CD1-CG2 3.22Å; Y548-I585 HydrophobicContact CD2-CG2 4.09Å; Y548-I585 HydrophobicContact CE1-CG2 3.64Å; Y548-I585 HydrophobicContact CE2-CG2 4.4Å; Y548-I585 HydrophobicContact CG-CG2 3.49Å; Y548-I585 VanDerWaalsContact CG-CG2 3.49Å; Y548-P587 WeakPolarHBondContact OH-CD 3.46Å
549	L	85.9	Confident	87.8	Confident	24 Å²	24	42.1 Å²	42.1	13%	0.126	21%	0.208	C	C	.	.	H	α-helix	trans	-80.3	-27.4	-175.6	-66.3	168.8	0	0	0	113.1	A545 K546 L547 I585 A598 K599 F602	A545-L549 WeakPolarHBondContact O-CG 3.21Å; A545-L549 PolarHBondContact O-N 3.04Å; K546-L549 WeakPolarHBondContact O-CB 3.43Å; K546-L549 PolarHBondContact O-N 3.18Å; L547-L549 VanDerWaalsContact C-N 3.31Å; L549-I585 HydrophobicContact CD1-CD1 4.09Å; L549-I585 HydrophobicContact CG-CD1 4.36Å; L549-A598 HydrophobicContact CD2-CB 4.28Å; L549-K599 HydrophobicContact CB-CG 4.37Å; L549-K599 HydrophobicContact CD2-CG 4.13Å; L549-K599 WeakPolarHBondContact O-CE 3.49Å; L549-K599 PolarHBondContact O-NZ 3.02Å; L549-F602 HydrophobicContact CD1-CB 3.79Å; L549-F602 HydrophobicContact CD1-CD2 3.84Å; L549-F602 HydrophobicContact CD1-CG 4.17Å
550	T	83.7	Confident	87.7	Confident	51 Å²	51	43.4 Å²	43.4	31%	0.313	21%	0.214	S	C	.	.	H	α-helix	trans	-94.3	-53.6	176	56.2	0	0	0	0	112.6	K546 L603	K546-T550 PolarHBondContact O-N 2.94Å; K546-T550 VanDerWaalsContact O-N 3.08Å; K546-T550 PolarHBondContact O-OG1 2.67Å; T550-L603 HydrophobicContact CG2-CD1 4.13Å; T550-L603 HydrophobicContact CG2-CD2 4.34Å
551	N	84.3	Confident	87.6	Confident	36 Å²	36	49.2 Å²	49.2	19%	0.193	24%	0.237	C	C	.	.			trans	-121.4	60.5	-177.5	-174.4	2.2	0	0	0	112.3	L547 K553 Q554 T555	L547-N551 CarbonylContact O-C 3.57Å; L547-N551 WeakPolarHBondContact O-CA 3.16Å; L547-N551 PolarHBondContact O-N 2.87Å; N551-K553 PolarHBondContact O-N 2.94Å; N551-K553 VanDerWaalsContact O-N 3.17Å; N551-Q554 PolarHBondContact ND2-OE1 3.39Å; N551-Q554 PolarHBondContact O-N 2.99Å; N551-T555 WeakPolarHBondContact O-CG2 3.08Å; N551-T555 PolarHBondContact O-N 2.85Å; N551-T555 PolarHBondContact O-OG1 2.86Å
552	S	80.3	Confident	87.6	Confident	47 Å²	47	49.2 Å²	49.2	33%	0.329	24%	0.237	S	C	.	.	H	α-helix	trans	-55.8	-32.8	-179.8	-156.9	0	0	0	0	113.7	Y548 Q554 K556	Y548-S552 VanDerWaalsContact O-CA 3.31Å; Y548-S552 WeakPolarHBondContact O-CA 3.35Å; Y548-S552 WeakPolarHBondContact O-CB 3.35Å; Y548-S552 PolarHBondContact O-N 2.85Å; Y548-S552 PolarHBondContact O-OG 2.91Å; S552-Q554 VanDerWaalsContact C-N 3.33Å; S552-Q554 PolarHBondContact O-N 3.48Å; S552-K556 WeakPolarHBondContact O-CB 3.35Å; S552-K556 PolarHBondContact O-N 2.93Å; S552-K556 VanDerWaalsContact O-N 3.16Å
553	K	81.3	Confident	87.6	Confident	208 Å²	208	47.7 Å²	47.7	90%	0.904	23%	0.228	S	C	*	.	H	α-helix	trans	-58.7	-39.6	-174.9	-71	-175	179	179.5	0	113.1	N551	N551-K553 PolarHBondContact O-N 2.94Å; N551-K553 VanDerWaalsContact O-N 3.17Å
554	Q	83.1	Confident	87.6	Confident	125 Å²	125	51.1 Å²	51.1	58%	0.584	25%	0.247	S	C	*	.	H	α-helix	trans	-98.6	-31.1	-178.7	-69.3	174.8	-33.2	0	0	112.7	N551 S552	N551-Q554 PolarHBondContact ND2-OE1 3.39Å; N551-Q554 PolarHBondContact O-N 2.99Å; S552-Q554 VanDerWaalsContact C-N 3.33Å; S552-Q554 PolarHBondContact O-N 3.48Å
555	T	84.9	Confident	87.5	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-98.1	-13.7	-166.2	65.6	0	0	0	0	114.1	P519 L547 Y548 N551 L557 L558 T559	P519-T555 HydrophobicContact CB-CG2 4.04Å; P519-T555 HydrophobicContact CG-CG2 4.09Å; L547-T555 VanDerWaalsContact C-OG1 3.3Å; L547-T555 HydrophobicContact CB-CG2 3.81Å; L547-T555 HydrophobicContact CD1-CG2 4.49Å; L547-T555 PolarHBondContact O-OG1 3.06Å; Y548-T555 WeakPolarHBondContact CA-OG1 3.43Å; Y548-T555 PolarHBondContact N-OG1 3.46Å; N551-T555 WeakPolarHBondContact O-CG2 3.08Å; N551-T555 PolarHBondContact O-N 2.85Å; N551-T555 PolarHBondContact O-OG1 2.86Å; T555-L557 VanDerWaalsContact C-N 3.31Å; T555-L557 PolarHBondContact O-N 3.25Å; T555-L558 PolarHBondContact O-N 3.43Å; T555-T559 WeakPolarHBondContact O-CB 3.45Å; T555-T559 PolarHBondContact O-N 2.96Å; T555-T559 PolarHBondContact O-OG1 3.15Å
556	K	86.7	Confident	87.6	Confident	99 Å²	99	53 Å²	53	43%	0.43	26%	0.257	S	S	.	.	H	α-helix	trans	-52	-45.1	-177.5	172.9	172.5	-179.3	-179.7	0	113.3	Y548 S552 Q560	Y548-K556 HydrophobicContact CD2-CB 4.39Å; Y548-K556 HydrophobicContact CE2-CB 4.02Å; Y548-K556 HydrophobicContact CE2-CG 3.82Å; S552-K556 WeakPolarHBondContact O-CB 3.35Å; S552-K556 PolarHBondContact O-N 2.93Å; S552-K556 VanDerWaalsContact O-N 3.16Å; K556-Q560 WeakPolarHBondContact O-CB 3.43Å; K556-Q560 WeakPolarHBondContact O-CG 3.3Å; K556-Q560 PolarHBondContact O-N 3.04Å; K556-Q560 VanDerWaalsContact O-N 3.08Å
557	L	89.1	Confident	87.6	Confident	137 Å²	137	56.6 Å²	56.6	72%	0.717	27%	0.272	S	S	*	.	H	α-helix	trans	-71.1	-42.5	-179.3	-137.6	76.9	0	0	0	112.1	T555 Q560 Y561	T555-L557 VanDerWaalsContact C-N 3.31Å; T555-L557 PolarHBondContact O-N 3.25Å; L557-Q560 PolarHBondContact O-N 2.94Å; L557-Y561 PolarHBondContact O-N 3.14Å
558	L	89.1	Confident	87.6	Confident	41 Å²	41	64.6 Å²	64.6	22%	0.215	30%	0.304	C	S	.	.	H	α-helix	trans	-62.3	-44.2	176.8	-65	171.6	0	0	0	111.4	L522 R523 T555 Y561 V562	L522-L558 HydrophobicContact CD2-CB 4.13Å; L522-L558 HydrophobicContact CG-CB 4.46Å; R523-L558 HydrophobicContact CB-CD1 4Å; R523-L558 HydrophobicContact CB-CD2 4.22Å; R523-L558 HydrophobicContact CG-CD2 4.47Å; T555-L558 PolarHBondContact O-N 3.43Å; L558-Y561 WeakPolarHBondContact O-CB 3.18Å; L558-Y561 PolarHBondContact O-N 3.13Å; L558-V562 WeakPolarHBondContact O-CG2 3.47Å; L558-V562 PolarHBondContact O-N 3.41Å
559	T	89.1	Confident	87.8	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-64.6	-41	177.8	-54.3	0	0	0	0	111.4	A544 Y548 T555 Y561 L563	A544-T559 HydrophobicContact CB-CG2 3.97Å; A544-T559 PolarHBondContact O-OG1 3.38Å; Y548-T559 HydrophobicContact CD2-CG2 3.85Å; Y548-T559 HydrophobicContact CG-CG2 4.48Å; T555-T559 WeakPolarHBondContact O-CB 3.45Å; T555-T559 PolarHBondContact O-N 2.96Å; T555-T559 PolarHBondContact O-OG1 3.15Å; T559-Y561 VanDerWaalsContact C-N 3.33Å; T559-Y561 PolarHBondContact O-N 3.27Å; T559-L563 HydrophobicContact CG2-CD1 3.92Å; T559-L563 HydrophobicContact CG2-CG 4.4Å; T559-L563 WeakPolarHBondContact O-CB 3.31Å; T559-L563 VanDerWaalsContact O-CG 3.24Å; T559-L563 WeakPolarHBondContact O-CG 3.18Å; T559-L563 PolarHBondContact O-N 3.26Å
560	Q	89.3	Confident	88	Confident	65 Å²	65	69.8 Å²	69.8	30%	0.304	33%	0.328	S	S	.	.	H	α-helix	trans	-64.3	-36.6	174	-77	178.8	-30.7	0	0	112.5	K556 L557 N564	K556-Q560 WeakPolarHBondContact O-CB 3.43Å; K556-Q560 WeakPolarHBondContact O-CG 3.3Å; K556-Q560 PolarHBondContact O-N 3.04Å; K556-Q560 VanDerWaalsContact O-N 3.08Å; L557-Q560 PolarHBondContact O-N 2.94Å; Q560-N564 WeakPolarHBondContact O-CB 3.29Å; Q560-N564 PolarHBondContact O-N 2.85Å; Q560-N564 VanDerWaalsContact O-N 3.1Å; Q560-N564 PolarHBondContact O-ND2 2.89Å
561	Y	91.1	Very high	88.4	Confident	122 Å²	122	69.3 Å²	69.3	48%	0.478	32%	0.324	S	S	.	.	H	α-helix	trans	-65.5	-51.5	174.6	179	-107.2	0	0	0	111.8	A526 L557 L558 T559 L563 N564 L565	A526-Y561 HydrophobicContact CB-CD1 4.29Å; A526-Y561 WeakPolarHBondContact O-CE1 3.38Å; L557-Y561 PolarHBondContact O-N 3.14Å; L558-Y561 WeakPolarHBondContact O-CB 3.18Å; L558-Y561 PolarHBondContact O-N 3.13Å; T559-Y561 VanDerWaalsContact C-N 3.33Å; T559-Y561 PolarHBondContact O-N 3.27Å; Y561-L563 PolarHBondContact O-N 3.39Å; Y561-N564 PolarHBondContact O-N 2.73Å; Y561-L565 HydrophobicContact CD1-CD1 4.19Å; Y561-L565 HydrophobicContact CE1-CD1 3.63Å; Y561-L565 HydrophobicContact CE1-CG 4.25Å; Y561-L565 HydrophobicContact CE2-CD2 4.44Å; Y561-L565 PolarHBondContact O-N 3.34Å
562	V	92.8	Very high	88.8	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-58.6	-44	176.6	173.5	0	0	0	0	111.8	L522 A526 F529 I540 L541 L558 N564 L565 A566	L522-V562 HydrophobicContact CD1-CG2 4.4Å; A526-V562 HydrophobicContact CB-CG2 3.61Å; F529-V562 HydrophobicContact CD2-CG1 4.16Å; F529-V562 HydrophobicContact CE2-CG1 4Å; I540-V562 HydrophobicContact CG2-CG1 4.08Å; I540-V562 HydrophobicContact CG2-CG2 4.43Å; L541-V562 HydrophobicContact CD2-CG1 3.99Å; L558-V562 WeakPolarHBondContact O-CG2 3.47Å; L558-V562 PolarHBondContact O-N 3.41Å; V562-N564 PolarHBondContact O-N 3.12Å; V562-L565 PolarHBondContact O-N 2.96Å; V562-A566 WeakPolarHBondContact O-CB 3.38Å; V562-A566 PolarHBondContact O-N 3.32Å
563	L	90.9	Very high	89.4	Confident	5 Å²	5	75 Å²	75	3%	0.026	34%	0.341	C	S	.	.	H	α-helix	trans	-66.4	-22.3	176.3	-72.2	171.7	0	0	0	113.7	L541 T559 Y561 K567 A578 I581 R582 V586	L541-L563 HydrophobicContact CD2-CD2 3.8Å; T559-L563 HydrophobicContact CG2-CD1 3.92Å; T559-L563 HydrophobicContact CG2-CG 4.4Å; T559-L563 WeakPolarHBondContact O-CB 3.31Å; T559-L563 VanDerWaalsContact O-CG 3.24Å; T559-L563 WeakPolarHBondContact O-CG 3.18Å; T559-L563 PolarHBondContact O-N 3.26Å; Y561-L563 PolarHBondContact O-N 3.39Å; L563-K567 PolarHBondContact O-N 2.9Å; L563-A578 HydrophobicContact CD2-CB 4.18Å; L563-I581 HydrophobicContact CD2-CB 4.27Å; L563-I581 HydrophobicContact CD2-CG2 3.96Å; L563-R582 HydrophobicContact CD1-CB 4.2Å; L563-R582 HydrophobicContact CD2-CB 4.45Å; L563-V586 HydrophobicContact CD1-CG2 4.2Å
564	N	91.3	Very high	90	Very high	74 Å²	74	65.1 Å²	65.1	40%	0.396	30%	0.298	S	S	.	.	H	α-helix	trans	-84.5	-33.3	173.7	-76.4	-26.1	0	0	0	112.1	Q560 Y561 V562 K567 Y568 R582	Q560-N564 WeakPolarHBondContact O-CB 3.29Å; Q560-N564 PolarHBondContact O-N 2.85Å; Q560-N564 VanDerWaalsContact O-N 3.1Å; Q560-N564 PolarHBondContact O-ND2 2.89Å; Y561-N564 PolarHBondContact O-N 2.73Å; V562-N564 PolarHBondContact O-N 3.12Å; N564-K567 WeakPolarHBondContact O-CB 3.28Å; N564-Y568 VanDerWaalsContact O-CD2 3.29Å; N564-Y568 WeakPolarHBondContact O-CD2 3.31Å; N564-R582 PolarHBondContact OD1-NH1 2.9Å
565	L	90.3	Very high	90.5	Very high	42 Å²	42	62.9 Å²	62.9	22%	0.22	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-55.5	168.8	-66.3	179.8	0	0	0	110.3	F529 Y561 V562 K567 Y568	F529-L565 HydrophobicContact CB-CD1 4.08Å; F529-L565 HydrophobicContact CD1-CB 3.91Å; F529-L565 HydrophobicContact CD1-CD1 4.12Å; F529-L565 HydrophobicContact CE1-CB 4.16Å; F529-L565 HydrophobicContact CG-CD1 4.31Å; Y561-L565 HydrophobicContact CD1-CD1 4.19Å; Y561-L565 HydrophobicContact CE1-CD1 3.63Å; Y561-L565 HydrophobicContact CE1-CG 4.25Å; Y561-L565 HydrophobicContact CE2-CD2 4.44Å; Y561-L565 PolarHBondContact O-N 3.34Å; V562-L565 PolarHBondContact O-N 2.96Å; L565-K567 PolarHBondContact O-N 3.45Å; L565-Y568 PolarHBondContact O-N 3.04Å
566	A	92.2	Very high	90.8	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-61.1	-19.1	-178.1	0	0	0	0	0	114.2	F529 L541 V562 Y568 I574 R575 A578	F529-A566 HydrophobicContact CE1-CB 4.08Å; F529-A566 HydrophobicContact CZ-CB 3.75Å; L541-A566 HydrophobicContact CD1-CB 4.16Å; L541-A566 HydrophobicContact CD2-CB 3.89Å; L541-A566 HydrophobicContact CG-CB 4.43Å; V562-A566 WeakPolarHBondContact O-CB 3.38Å; V562-A566 PolarHBondContact O-N 3.32Å; A566-Y568 PolarHBondContact O-N 3.23Å; A566-I574 HydrophobicContact CB-CG2 4.15Å; A566-R575 VanDerWaalsContact O-CG 3.28Å; A566-R575 WeakPolarHBondContact O-CG 3.39Å; A566-A578 HydrophobicContact CB-CB 3.63Å
567	K	89.1	Confident	91	Very high	91 Å²	91	66.8 Å²	66.8	40%	0.396	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-61.6	-30.6	172	-172.5	-163.3	164.9	-160.9	0	112.3	L563 N564 L565	L563-K567 PolarHBondContact O-N 2.9Å; N564-K567 WeakPolarHBondContact O-CB 3.28Å; L565-K567 PolarHBondContact O-N 3.45Å
568	Y	87.6	Confident	91.1	Very high	172 Å²	172	60.4 Å²	60.4	68%	0.675	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-114	16.9	-174.9	-54.6	-68.5	0	0	0	112.9	N564 L565 A566	N564-Y568 VanDerWaalsContact O-CD2 3.29Å; N564-Y568 WeakPolarHBondContact O-CD2 3.31Å; L565-Y568 PolarHBondContact O-N 3.04Å; A566-Y568 PolarHBondContact O-N 3.23Å
569	D	90.9	Very high	91.1	Very high	17 Å²	17	64.1 Å²	64.1	9%	0.091	28%	0.281	C	S	.	.			trans	-63.6	159.6	175.3	-151.2	-72.8	0	0	0	111.8	K537 N571 I574 R575	K537-D569 VanDerWaalsContact CD-OD2 3.3Å; K537-D569 WeakPolarHBondContact CD-OD2 3.23Å; K537-D569 VanDerWaalsContact CE-OD2 3.23Å; K537-D569 WeakPolarHBondContact CE-OD2 3.37Å; K537-D569 VanDerWaalsContact NZ-CG 3.35Å; K537-D569 IonicContact NZ-OD1 3.45Å; K537-D569 PolarHBondContact NZ-OD1 2.81Å; K537-D569 IonicContact NZ-OD2 3.53Å; K537-D569 PolarHBondContact NZ-OD2 3.46Å; D569-N571 PolarHBondContact OD1-N 3.41Å; D569-I574 HydrophobicContact CB-CB 4.38Å; D569-I574 HydrophobicContact CB-CG2 3.89Å; D569-R575 HydrophobicContact CB-CG 4.25Å; D569-R575 WeakPolarHBondContact O-CD 3.19Å; D569-R575 PolarHBondContact O-NE 3.47Å
570	Q	90.5	Very high	91.1	Very high	133 Å²	133	68.8 Å²	68.8	62%	0.621	30%	0.301	S	S	*	.	S	Bend	trans	-73.7	-40.9	177.3	-63	-178	9.9	0	0	110.7	R575	Q570-R575 PolarHBondContact O-NH2 3.13Å
571	N	92.6	Very high	91	Very high	42 Å²	42	65.8 Å²	65.8	23%	0.225	29%	0.287	C	S	.	.	S	Bend	trans	-66.1	139.7	179.2	-169.5	-44	0	0	0	110.9	D534 D569 D573 I574 R575	D534-N571 WeakPolarHBondContact OD2-CB 3.36Å; D534-N571 PolarHBondContact OD2-ND2 3.21Å; D569-N571 PolarHBondContact OD1-N 3.41Å; N571-D573 PolarHBondContact OD1-N 3.34Å; N571-I574 HydrophobicContact CB-CB 4.16Å; N571-I574 HydrophobicContact CB-CD1 3.89Å; N571-I574 HydrophobicContact CB-CG1 3.91Å; N571-R575 WeakPolarHBondContact O-CG 3.47Å; N571-R575 PolarHBondContact O-NE 2.79Å
572	Y	92.7	Very high	90.8	Very high	140 Å²	140	64.9 Å²	64.9	55%	0.549	28%	0.283	S	S	.	.	H	α-helix	trans	-76.5	-42.9	179.7	63.1	-93.8	0	0	0	112.2	I574 R575 D576	Y572-I574 PolarHBondContact O-N 3.39Å; Y572-R575 WeakPolarHBondContact O-CB 3.36Å; Y572-R575 PolarHBondContact O-N 3.14Å; Y572-R575 VanDerWaalsContact O-N 3.16Å; Y572-D576 PolarHBondContact O-N 3.14Å
573	D	93.3	Very high	90.4	Very high	62 Å²	62	69.4 Å²	69.4	33%	0.332	30%	0.304	S	S	.	.	H	α-helix	trans	-61.5	-45.2	178.4	172.9	54.6	0	0	0	110.6	L538 N571 R575 D576 R577	L538-D573 WeakPolarHBondContact CD2-OD2 3.35Å; N571-D573 PolarHBondContact OD1-N 3.34Å; D573-R575 PolarHBondContact O-N 3.33Å; D573-D576 CarbonylContact O-C 3.57Å; D573-D576 PolarHBondContact O-N 3.38Å; D573-R577 WeakPolarHBondContact O-CB 3.46Å; D573-R577 PolarHBondContact O-N 2.87Å
574	I	93.2	Very high	90	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-56.4	-40.8	177.4	-62.7	-173.9	0	0	0	111.5	F529 D534 K537 L538 L541 A566 D569 N571 Y572 A578	F529-I574 HydrophobicContact CZ-CG2 4.42Å; D534-I574 HydrophobicContact CB-CD1 3.76Å; D534-I574 VanDerWaalsContact OD1-CD1 3.28Å; D534-I574 WeakPolarHBondContact OD1-CD1 3.29Å; K537-I574 HydrophobicContact CB-CD1 3.73Å; K537-I574 HydrophobicContact CD-CD1 3.45Å; K537-I574 VanDerWaalsContact CD-CD1 3.45Å; K537-I574 HydrophobicContact CG-CD1 4.28Å; L538-I574 HydrophobicContact CD2-CG1 3.95Å; L538-I574 HydrophobicContact CG-CG1 4.07Å; L541-I574 HydrophobicContact CD1-CG2 3.97Å; A566-I574 HydrophobicContact CB-CG2 4.15Å; D569-I574 HydrophobicContact CB-CB 4.38Å; D569-I574 HydrophobicContact CB-CG2 3.89Å; N571-I574 HydrophobicContact CB-CB 4.16Å; N571-I574 HydrophobicContact CB-CD1 3.89Å; N571-I574 HydrophobicContact CB-CG1 3.91Å; Y572-I574 PolarHBondContact O-N 3.39Å; I574-A578 WeakPolarHBondContact O-CB 3.35Å; I574-A578 PolarHBondContact O-N 3.2Å
575	R	93.3	Very high	89.4	Confident	79 Å²	79	66.7 Å²	66.7	30%	0.298	29%	0.289	S	S	.	.	H	α-helix	trans	-67.4	-43.2	176.2	-74.9	-180	-77	177	-4.7	112.2	A566 D569 Q570 N571 Y572 D573 A578 R579	A566-R575 VanDerWaalsContact O-CG 3.28Å; A566-R575 WeakPolarHBondContact O-CG 3.39Å; D569-R575 HydrophobicContact CB-CG 4.25Å; D569-R575 WeakPolarHBondContact O-CD 3.19Å; D569-R575 PolarHBondContact O-NE 3.47Å; Q570-R575 PolarHBondContact O-NH2 3.13Å; N571-R575 WeakPolarHBondContact O-CG 3.47Å; N571-R575 PolarHBondContact O-NE 2.79Å; Y572-R575 WeakPolarHBondContact O-CB 3.36Å; Y572-R575 PolarHBondContact O-N 3.14Å; Y572-R575 VanDerWaalsContact O-N 3.16Å; D573-R575 PolarHBondContact O-N 3.33Å; R575-A578 PolarHBondContact O-N 3.23Å; R575-R579 WeakPolarHBondContact O-CD 3.16Å; R575-R579 WeakPolarHBondContact O-CG 3.47Å; R575-R579 PolarHBondContact O-N 2.87Å
576	D	92.3	Very high	88.7	Confident	82 Å²	82	65.5 Å²	65.5	44%	0.439	28%	0.284	S	S	.	.	H	α-helix	trans	-72.8	-38.9	179	-78.9	-50.9	0	0	0	113.1	Y572 D573 A578 R579 F580	Y572-D576 PolarHBondContact O-N 3.14Å; D573-D576 CarbonylContact O-C 3.57Å; D573-D576 PolarHBondContact O-N 3.38Å; D576-A578 VanDerWaalsContact C-N 3.33Å; D576-A578 PolarHBondContact O-N 2.94Å; D576-R579 WeakPolarHBondContact O-CB 3.49Å; D576-R579 PolarHBondContact O-N 3.12Å; D576-R579 WeakPolarHBondContact OD1-CD 3.33Å; D576-R579 IonicContact OD1-CZ 3.75Å; D576-R579 IonicContact OD1-NE 3.18Å; D576-R579 IonicContact OD1-NH1 2.69Å; D576-R579 PolarHBondContact OD1-NH1 3.49Å; D576-R579 IonicContact OD2-NH1 3.2Å; D576-R579 PolarHBondContact OD2-NH1 3.04Å; D576-F580 WeakPolarHBondContact O-CB 3.48Å; D576-F580 PolarHBondContact O-N 3.44Å
577	R	90	Very high	87.4	Confident	98 Å²	98	70.3 Å²	70.3	37%	0.37	32%	0.315	S	S	.	.	H	α-helix	trans	-57.9	-44.3	168.8	-155.1	78.8	-173.7	-175.7	0.6	111.1	L538 D573 F580 I581	L538-R577 HydrophobicContact CD2-CB 4.26Å; L538-R577 HydrophobicContact CD2-CG 4.15Å; D573-R577 WeakPolarHBondContact O-CB 3.46Å; D573-R577 PolarHBondContact O-N 2.87Å; R577-F580 PolarHBondContact O-N 3.28Å; R577-I581 HydrophobicContact CG-CD1 3.99Å; R577-I581 WeakPolarHBondContact O-CB 3.49Å; R577-I581 WeakPolarHBondContact O-CG1 3.48Å; R577-I581 PolarHBondContact O-N 3.46Å
578	A	91.7	Very high	86.1	Confident	3 Å²	3	69.7 Å²	69.7	3%	0.025	32%	0.319	C	S	.	.	H	α-helix	trans	-65.7	-40.4	175.3	0	0	0	0	0	112.7	L541 L563 A566 I574 R575 D576 R582	L541-A578 HydrophobicContact CD1-CB 4.38Å; L541-A578 HydrophobicContact CD2-CB 4.23Å; L563-A578 HydrophobicContact CD2-CB 4.18Å; A566-A578 HydrophobicContact CB-CB 3.63Å; I574-A578 WeakPolarHBondContact O-CB 3.35Å; I574-A578 PolarHBondContact O-N 3.2Å; R575-A578 PolarHBondContact O-N 3.23Å; D576-A578 VanDerWaalsContact C-N 3.33Å; D576-A578 PolarHBondContact O-N 2.94Å; A578-R582 WeakPolarHBondContact O-CB 3.4Å; A578-R582 PolarHBondContact O-N 3.46Å
579	R	89.1	Confident	84.6	Confident	119 Å²	119	71.3 Å²	71.3	45%	0.449	33%	0.333	S	S	.	.	H	α-helix	trans	-60.6	-47.3	173.2	-70.3	161.6	-166.5	142.6	4.3	111.3	R575 D576 R582 Q583	R575-R579 WeakPolarHBondContact O-CD 3.16Å; R575-R579 WeakPolarHBondContact O-CG 3.47Å; R575-R579 PolarHBondContact O-N 2.87Å; D576-R579 WeakPolarHBondContact O-CB 3.49Å; D576-R579 PolarHBondContact O-N 3.12Å; D576-R579 WeakPolarHBondContact OD1-CD 3.33Å; D576-R579 IonicContact OD1-CZ 3.75Å; D576-R579 IonicContact OD1-NE 3.18Å; D576-R579 IonicContact OD1-NH1 2.69Å; D576-R579 PolarHBondContact OD1-NH1 3.49Å; D576-R579 IonicContact OD2-NH1 3.2Å; D576-R579 PolarHBondContact OD2-NH1 3.04Å; R579-R582 PolarHBondContact O-N 3.18Å; R579-Q583 WeakPolarHBondContact O-CB 3.24Å; R579-Q583 PolarHBondContact O-N 3.47Å
580	F	88.1	Confident	83	Confident	99 Å²	99	79.2 Å²	79.2	43%	0.434	37%	0.366	S	S	.	.	H	α-helix	trans	-62.5	-52.2	179.1	-179.6	-106.4	0	0	0	112.3	D576 R577 R582 Q583 L584	D576-F580 WeakPolarHBondContact O-CB 3.48Å; D576-F580 PolarHBondContact O-N 3.44Å; R577-F580 PolarHBondContact O-N 3.28Å; F580-R582 VanDerWaalsContact C-N 3.32Å; F580-R582 PolarHBondContact O-N 3.16Å; F580-Q583 PolarHBondContact O-N 3.43Å; F580-L584 HydrophobicContact CD1-CD1 3.83Å; F580-L584 HydrophobicContact CD2-CD1 4.43Å; F580-L584 HydrophobicContact CE1-CD1 3.46Å; F580-L584 VanDerWaalsContact CE1-CD1 3.46Å; F580-L584 HydrophobicContact CE2-CD1 4.11Å; F580-L584 HydrophobicContact CG-CD1 4.31Å; F580-L584 HydrophobicContact CZ-CD1 3.63Å; F580-L584 WeakPolarHBondContact O-CG 3.5Å; F580-L584 PolarHBondContact O-N 3.25Å; F580-L584 VanDerWaalsContact O-N 3.11Å
581	I	88.4	Confident	81.4	Confident	1 Å²	1	75.2 Å²	75.2	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-58.6	-44.1	176.5	-69.9	169.1	0	0	0	110.6	L541 A545 L563 R577 Q583 L584 I585 F602	L541-I581 HydrophobicContact CB-CD1 4.04Å; A545-I581 HydrophobicContact CB-CG2 3.82Å; L563-I581 HydrophobicContact CD2-CB 4.27Å; L563-I581 HydrophobicContact CD2-CG2 3.96Å; R577-I581 HydrophobicContact CG-CD1 3.99Å; R577-I581 WeakPolarHBondContact O-CB 3.49Å; R577-I581 WeakPolarHBondContact O-CG1 3.48Å; R577-I581 PolarHBondContact O-N 3.46Å; I581-Q583 PolarHBondContact O-N 3.44Å; I581-L584 PolarHBondContact O-N 3.42Å; I581-I585 HydrophobicContact CG2-CD1 3.94Å; I581-I585 WeakPolarHBondContact O-CB 3.32Å; I581-I585 WeakPolarHBondContact O-CG1 3.38Å; I581-I585 PolarHBondContact O-N 2.84Å; I581-F602 HydrophobicContact CG1-CE1 4.18Å; I581-F602 HydrophobicContact CG1-CZ 3.98Å
582	R	87.1	Confident	80	Confident	104 Å²	104	75 Å²	75	39%	0.392	36%	0.361	S	S	.	.	H	α-helix	trans	-60.1	-46	178	-177.8	176.9	179.9	144.1	2.4	112.1	L563 N564 A578 R579 F580 L584 I585 V586	L563-R582 HydrophobicContact CD1-CB 4.2Å; L563-R582 HydrophobicContact CD2-CB 4.45Å; N564-R582 PolarHBondContact OD1-NH1 2.9Å; A578-R582 WeakPolarHBondContact O-CB 3.4Å; A578-R582 PolarHBondContact O-N 3.46Å; R579-R582 PolarHBondContact O-N 3.18Å; F580-R582 VanDerWaalsContact C-N 3.32Å; F580-R582 PolarHBondContact O-N 3.16Å; R582-L584 VanDerWaalsContact C-N 3.3Å; R582-L584 PolarHBondContact O-N 3.42Å; R582-I585 PolarHBondContact O-N 3.37Å; R582-V586 HydrophobicContact CG-CB 4.32Å; R582-V586 HydrophobicContact CG-CG2 4.01Å; R582-V586 WeakPolarHBondContact O-CB 3.5Å; R582-V586 PolarHBondContact O-N 3.44Å
583	Q	83.7	Confident	78.9	Confident	95 Å²	95	71.9 Å²	71.9	44%	0.444	36%	0.364	S	S	.	.	H	α-helix	trans	-67.8	-28.1	-179.4	-178	60	16.1	0	0	113	R579 F580 I581 K590	R579-Q583 WeakPolarHBondContact O-CB 3.24Å; R579-Q583 PolarHBondContact O-N 3.47Å; F580-Q583 PolarHBondContact O-N 3.43Å; I581-Q583 PolarHBondContact O-N 3.44Å; Q583-K590 PolarHBondContact NE2-O 3.13Å; Q583-K590 VanDerWaalsContact NE2-O 3.15Å
584	L	82.2	Confident	77.7	Confident	12 Å²	12	73.9 Å²	73.9	6%	0.063	37%	0.374	C	S	.	.	H	α-helix	trans	-79	-38.7	175.9	-72.2	170.6	0	0	0	113.5	F580 I581 R582 L594 S595 L601 F602	F580-L584 HydrophobicContact CD1-CD1 3.83Å; F580-L584 HydrophobicContact CD2-CD1 4.43Å; F580-L584 HydrophobicContact CE1-CD1 3.46Å; F580-L584 VanDerWaalsContact CE1-CD1 3.46Å; F580-L584 HydrophobicContact CE2-CD1 4.11Å; F580-L584 HydrophobicContact CG-CD1 4.31Å; F580-L584 HydrophobicContact CZ-CD1 3.63Å; F580-L584 WeakPolarHBondContact O-CG 3.5Å; F580-L584 PolarHBondContact O-N 3.25Å; F580-L584 VanDerWaalsContact O-N 3.11Å; I581-L584 PolarHBondContact O-N 3.42Å; R582-L584 VanDerWaalsContact C-N 3.3Å; R582-L584 PolarHBondContact O-N 3.42Å; L584-L594 HydrophobicContact CD2-CB 3.77Å; L584-L594 HydrophobicContact CD2-CD2 4.07Å; L584-L594 HydrophobicContact CD2-CG 4.44Å; L584-S595 VanDerWaalsContact O-CB 3.3Å; L584-S595 WeakPolarHBondContact O-CB 3.38Å; L584-L601 HydrophobicContact CD1-CD2 3.89Å; L584-F602 HydrophobicContact CB-CE2 4.25Å; L584-F602 HydrophobicContact CD1-CE2 3.79Å; L584-F602 HydrophobicContact CD1-CZ 3.86Å
585	I	79.9	Confident	76.7	Confident	9 Å²	9	75.7 Å²	75.7	5%	0.046	39%	0.387	C	S	.	.	H	α-helix	trans	-106.8	-32.5	-164.5	-61.5	-173.5	0	0	0	113.2	A545 Y548 L549 I581 R582 P587 F602	A545-I585 HydrophobicContact CB-CD1 3.5Å; Y548-I585 HydrophobicContact CD1-CG2 3.22Å; Y548-I585 HydrophobicContact CD2-CG2 4.09Å; Y548-I585 HydrophobicContact CE1-CG2 3.64Å; Y548-I585 HydrophobicContact CE2-CG2 4.4Å; Y548-I585 HydrophobicContact CG-CG2 3.49Å; Y548-I585 VanDerWaalsContact CG-CG2 3.49Å; L549-I585 HydrophobicContact CD1-CD1 4.09Å; L549-I585 HydrophobicContact CG-CD1 4.36Å; I581-I585 HydrophobicContact CG2-CD1 3.94Å; I581-I585 WeakPolarHBondContact O-CB 3.32Å; I581-I585 WeakPolarHBondContact O-CG1 3.38Å; I581-I585 PolarHBondContact O-N 2.84Å; R582-I585 PolarHBondContact O-N 3.37Å; I585-P587 WeakPolarHBondContact O-CD 3.39Å; I585-F602 HydrophobicContact CD1-CD2 3.96Å; I585-F602 HydrophobicContact CD1-CE2 3.73Å; I585-F602 HydrophobicContact CD1-CZ 4.25Å; I585-F602 HydrophobicContact CG1-CD2 4.42Å; I585-F602 HydrophobicContact CG1-CE2 3.99Å
586	V	75.6	Confident	75.8	Confident	17 Å²	17	80.6 Å²	80.6	10%	0.103	41%	0.41	C	S	.	.	S	Bend	trans	-87.1	116.8	-178.3	-177.2	0	0	0	0	110	L563 R582 T588	L563-V586 HydrophobicContact CD1-CG2 4.2Å; R582-V586 HydrophobicContact CG-CB 4.32Å; R582-V586 HydrophobicContact CG-CG2 4.01Å; R582-V586 WeakPolarHBondContact O-CB 3.5Å; R582-V586 PolarHBondContact O-N 3.44Å; V586-T588 PolarHBondContact O-N 3.27Å; V586-T588 VanDerWaalsContact O-N 3.15Å; V586-T588 PolarHBondContact O-OG1 3.22Å; V586-T588 VanDerWaalsContact O-OG1 3.06Å
587	P	65	Low	75.2	Confident	102 Å²	102	83.5 Å²	83.5	66%	0.662	42%	0.416	S	S	*	.			trans	-59.6	122.2	176.6	-22.8	34.7	0	0	0	110.5	Y548 I585	Y548-P587 WeakPolarHBondContact OH-CD 3.46Å; I585-P587 WeakPolarHBondContact O-CD 3.39Å
588	T	61.6	Low	74.7	Confident	77 Å²	77	79 Å²	79	47%	0.472	40%	0.4	S	S	.	.			trans	-137.3	151.3	179.1	-43.8	0	0	0	0	106.8	V586 K590 S591	V586-T588 PolarHBondContact O-N 3.27Å; V586-T588 VanDerWaalsContact O-N 3.15Å; V586-T588 PolarHBondContact O-OG1 3.22Å; V586-T588 VanDerWaalsContact O-OG1 3.06Å; T588-K590 PolarHBondContact O-N 3.25Å; T588-S591 VanDerWaalsContact O-CB 3.32Å; T588-S591 WeakPolarHBondContact O-CB 3.17Å; T588-S591 PolarHBondContact O-N 3.21Å
589	E	55.4	Low	74.2	Confident	207 Å²	207	84.8 Å²	84.8	97%	0.967	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-18.2	-175.7	-61.4	178.4	160	0	0	113.9
590	K	57.3	Low	73.8	Confident	182 Å²	182	87 Å²	87	79%	0.791	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	37.5	172.8	-58.5	-177.3	-178.4	-179.9	0	112.8	Q583 T588 G592	Q583-K590 PolarHBondContact NE2-O 3.13Å; Q583-K590 VanDerWaalsContact NE2-O 3.15Å; T588-K590 PolarHBondContact O-N 3.25Å; K590-G592 PolarHBondContact O-N 3.19Å
591	S	57.8	Low	73.5	Confident	49 Å²	49	86.7 Å²	86.7	34%	0.343	44%	0.44	S	S	.	.			trans	-70.2	111.1	177.2	-166.3	0	0	0	0	110.4	T588 S595	T588-S591 VanDerWaalsContact O-CB 3.32Å; T588-S591 WeakPolarHBondContact O-CB 3.17Å; T588-S591 PolarHBondContact O-N 3.21Å; S591-S595 VanDerWaalsContact OG-CB 3.23Å; S591-S595 WeakPolarHBondContact OG-CB 3.38Å; S591-S595 PolarHBondContact OG-OG 3.11Å
592	G	63.3	Low	73.2	Confident	39 Å²	39	87.8 Å²	87.8	40%	0.402	44%	0.444	S	S	.	.			trans	-71.3	163.2	-178.3	0	0	0	0	0	113.2	K590 L594 S595	K590-G592 PolarHBondContact O-N 3.19Å; G592-L594 PolarHBondContact O-N 3.4Å; G592-S595 PolarHBondContact O-N 3.3Å; G592-S595 PolarHBondContact O-OG 3.3Å; G592-S595 VanDerWaalsContact O-OG 3.06Å
593	A	67.9	Low	72.9	Confident	73 Å²	73	85.8 Å²	85.8	60%	0.603	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-53.4	-26.6	-174.3	0	0	0	0	0	114.9	S595 K596	A593-S595 VanDerWaalsContact C-N 3.29Å; A593-S595 PolarHBondContact O-N 2.93Å; A593-K596 WeakPolarHBondContact O-CB 3.35Å; A593-K596 PolarHBondContact O-N 3Å
594	L	69	Low	72.7	Confident	105 Å²	105	83.7 Å²	83.7	55%	0.55	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-62.7	-25.5	176.8	-112.4	73.4	0	0	0	114.5	L584 G592 K596 Y597 A598	L584-L594 HydrophobicContact CD2-CB 3.77Å; L584-L594 HydrophobicContact CD2-CD2 4.07Å; L584-L594 HydrophobicContact CD2-CG 4.44Å; G592-L594 PolarHBondContact O-N 3.4Å; L594-K596 PolarHBondContact O-N 3.11Å; L594-Y597 CarbonylContact O-C 3.56Å; L594-Y597 WeakPolarHBondContact O-CA 3.27Å; L594-Y597 PolarHBondContact O-N 3.2Å; L594-A598 PolarHBondContact O-N 3.27Å
595	S	72.1	Confident	72.2	Confident	37 Å²	37	91.1 Å²	91.1	26%	0.259	48%	0.479	S	S	.	.	G	3₁₀ helix	trans	-63.2	-30.7	179.9	63.5	0	0	0	0	112.4	L584 S591 G592 A593 Y597 A598	L584-S595 VanDerWaalsContact O-CB 3.3Å; L584-S595 WeakPolarHBondContact O-CB 3.38Å; S591-S595 VanDerWaalsContact OG-CB 3.23Å; S591-S595 WeakPolarHBondContact OG-CB 3.38Å; S591-S595 PolarHBondContact OG-OG 3.11Å; G592-S595 PolarHBondContact O-N 3.3Å; G592-S595 PolarHBondContact O-OG 3.3Å; G592-S595 VanDerWaalsContact O-OG 3.06Å; A593-S595 VanDerWaalsContact C-N 3.29Å; A593-S595 PolarHBondContact O-N 2.93Å; S595-Y597 PolarHBondContact O-N 3.47Å; S595-A598 VanDerWaalsContact O-CB 3.31Å; S595-A598 WeakPolarHBondContact O-CB 3.38Å; S595-A598 PolarHBondContact O-N 3.46Å; S595-A598 VanDerWaalsContact O-N 3.14Å
596	K	74.4	Confident	72.1	Confident	182 Å²	182	96.1 Å²	96.1	79%	0.791	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-60.2	-25.8	171.5	-60.2	-177.7	179.1	-178.8	0	112.9	A593 L594	A593-K596 WeakPolarHBondContact O-CB 3.35Å; A593-K596 PolarHBondContact O-N 3Å; L594-K596 PolarHBondContact O-N 3.11Å
597	Y	79.4	Confident	71.9	Confident	144 Å²	144	101 Å²	101	57%	0.565	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-100.9	-0.7	179.9	-61.8	-82.6	0	0	0	113.4	L594 S595 K599 K600 L601	L594-Y597 CarbonylContact O-C 3.56Å; L594-Y597 WeakPolarHBondContact O-CA 3.27Å; L594-Y597 PolarHBondContact O-N 3.2Å; S595-Y597 PolarHBondContact O-N 3.47Å; Y597-K599 VanDerWaalsContact C-N 3.25Å; Y597-K599 PolarHBondContact O-N 3.31Å; Y597-K599 VanDerWaalsContact O-N 3.15Å; Y597-K600 WeakPolarHBondContact O-CA 3.5Å; Y597-K600 PolarHBondContact O-N 3Å; Y597-L601 PolarHBondContact O-N 3.35Å
598	A	79.4	Confident	72.2	Confident	3 Å²	3	97.9 Å²	97.9	3%	0.025	52%	0.515	C	S	.	.	H	α-helix	trans	-54.4	-38.7	-176.9	0	0	0	0	0	113	L549 L594 S595 K600 L601 F602	L549-A598 HydrophobicContact CD2-CB 4.28Å; L594-A598 PolarHBondContact O-N 3.27Å; S595-A598 VanDerWaalsContact O-CB 3.31Å; S595-A598 WeakPolarHBondContact O-CB 3.38Å; S595-A598 PolarHBondContact O-N 3.46Å; S595-A598 VanDerWaalsContact O-N 3.14Å; A598-K600 PolarHBondContact O-N 3Å; A598-L601 PolarHBondContact O-N 3.3Å; A598-F602 HydrophobicContact CB-CD2 4.41Å; A598-F602 WeakPolarHBondContact O-CD2 3.44Å; A598-F602 PolarHBondContact O-N 3.12Å
599	K	80.3	Confident	72.7	Confident	125 Å²	125	95.7 Å²	95.7	54%	0.543	50%	0.502	S	S	.	.	H	α-helix	trans	-59.8	-44.9	172.8	-72.7	-161	170.6	-154.7	0	112.7	L549 Y597 L601 L603	L549-K599 HydrophobicContact CB-CG 4.37Å; L549-K599 HydrophobicContact CD2-CG 4.13Å; L549-K599 WeakPolarHBondContact O-CE 3.49Å; L549-K599 PolarHBondContact O-NZ 3.02Å; Y597-K599 VanDerWaalsContact C-N 3.25Å; Y597-K599 PolarHBondContact O-N 3.31Å; Y597-K599 VanDerWaalsContact O-N 3.15Å; K599-L601 VanDerWaalsContact C-N 3.31Å; K599-L601 PolarHBondContact O-N 3.37Å; K599-L603 VanDerWaalsContact O-CB 3.24Å; K599-L603 WeakPolarHBondContact O-CB 3.23Å; K599-L603 PolarHBondContact O-N 3.43Å
600	K	81	Confident	73.5	Confident	165 Å²	165	90.8 Å²	90.8	72%	0.717	49%	0.486	S	S	*	.	H	α-helix	trans	-68.8	-29.2	177.5	-64.6	-164.4	178.4	-168.7	0	112.6	Y597 A598 A604	Y597-K600 WeakPolarHBondContact O-CA 3.5Å; Y597-K600 PolarHBondContact O-N 3Å; A598-K600 PolarHBondContact O-N 3Å; K600-A604 WeakPolarHBondContact O-CB 3.17Å
601	L	82.5	Confident	74.1	Confident	93 Å²	93	82.8 Å²	82.8	49%	0.487	45%	0.452	S	S	.	.	H	α-helix	trans	-77.5	-43.2	179.8	-172.7	68.3	0	0	0	112.8	L584 Y597 A598 K599	L584-L601 HydrophobicContact CD1-CD2 3.89Å; Y597-L601 PolarHBondContact O-N 3.35Å; A598-L601 PolarHBondContact O-N 3.3Å; K599-L601 VanDerWaalsContact C-N 3.31Å; K599-L601 PolarHBondContact O-N 3.37Å
602	F	82.3	Confident	74.9	Confident	23 Å²	23	85 Å²	85	10%	0.101	46%	0.457	C	S	.	.	H	α-helix	trans	-92.6	-15.4	-175.6	-70.3	-72.4	0	0	0	114.4	A545 K546 L549 I581 L584 I585 A598	A545-F602 HydrophobicContact CB-CD1 4.22Å; A545-F602 HydrophobicContact CB-CE1 4.22Å; K546-F602 WeakPolarHBondContact CE-O 3.32Å; K546-F602 HydrophobicContact CG-CB 4.37Å; L549-F602 HydrophobicContact CD1-CB 3.79Å; L549-F602 HydrophobicContact CD1-CD2 3.84Å; L549-F602 HydrophobicContact CD1-CG 4.17Å; I581-F602 HydrophobicContact CG1-CE1 4.18Å; I581-F602 HydrophobicContact CG1-CZ 3.98Å; L584-F602 HydrophobicContact CB-CE2 4.25Å; L584-F602 HydrophobicContact CD1-CE2 3.79Å; L584-F602 HydrophobicContact CD1-CZ 3.86Å; I585-F602 HydrophobicContact CD1-CD2 3.96Å; I585-F602 HydrophobicContact CD1-CE2 3.73Å; I585-F602 HydrophobicContact CD1-CZ 4.25Å; I585-F602 HydrophobicContact CG1-CD2 4.42Å; I585-F602 HydrophobicContact CG1-CE2 3.99Å; A598-F602 HydrophobicContact CB-CD2 4.41Å; A598-F602 WeakPolarHBondContact O-CD2 3.44Å; A598-F602 PolarHBondContact O-N 3.12Å
603	L	81.4	Confident	75.6	Confident	62 Å²	62	84 Å²	84	33%	0.325	44%	0.444	S	S	.	.	S	Bend	trans	-116.9	23.7	177.6	-49.8	171.8	0	0	0	112.1	K546 T550 K599 L605	K546-L603 HydrophobicContact CB-CD2 4.23Å; K546-L603 HydrophobicContact CD-CD2 4.34Å; K546-L603 HydrophobicContact CG-CD2 4.09Å; T550-L603 HydrophobicContact CG2-CD1 4.13Å; T550-L603 HydrophobicContact CG2-CD2 4.34Å; K599-L603 VanDerWaalsContact O-CB 3.24Å; K599-L603 WeakPolarHBondContact O-CB 3.23Å; K599-L603 PolarHBondContact O-N 3.43Å; L603-L605 PolarHBondContact O-N 3.5Å
604	A	79.5	Confident	75.9	Confident	52 Å²	52	83.1 Å²	83.1	43%	0.43	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-69	125.9	169.1	0	0	0	0	0	109.9	K600 K606	K600-A604 WeakPolarHBondContact O-CB 3.17Å; A604-K606 PolarHBondContact O-N 3.48Å
605	L	71.3	Confident	76.3	Confident	168 Å²	168	78.8 Å²	78.8	88%	0.88	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-56.3	126.5	171.4	-67.7	172.6	0	0	0	109.7	L603	L603-L605 PolarHBondContact O-N 3.5Å
606	K	76.8	Confident	76.4	Confident	114 Å²	114	81.1 Å²	81.1	50%	0.496	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-90	141.9	174.3	-65.1	-170.6	173	-162.1	0	110.3	W505 A604	W505-K606 HydrophobicContact CZ2-CD 4.4Å; A604-K606 PolarHBondContact O-N 3.48Å
607	P	72.2	Confident	76.4	Confident	120 Å²	120	77 Å²	77	78%	0.779	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-60.5	143.1	171.6	27.6	-34.4	0	0	0	109.9
608	A	70.3	Confident	76.4	Confident	35 Å²	35	71.8 Å²	71.8	29%	0.289	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-71.4	139.8	176	0	0	0	0	0	110.4	Q474 M475	Q474-A608 HydrophobicContact CB-CB 4.06Å; M475-A608 HydrophobicContact CG-CB 4.45Å; M475-A608 HydrophobicContact SD-CB 3.47Å; M475-A608 WeakPolarHBondContact SD-CB 3.34Å
609	P	72.6	Confident	76	Confident	31 Å²	31	73.6 Å²	73.6	20%	0.201	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-74.3	129.6	179.1	30	-33.2	0	0	0	110.6	K471	K471-P609 HydrophobicContact CB-CG 4.12Å; K471-P609 HydrophobicContact CD-CG 4.21Å; K471-P609 HydrophobicContact CG-CG 3.74Å
610	V	71.6	Confident	75.9	Confident	105 Å²	105	74.9 Å²	74.9	64%	0.636	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-77.7	126.5	177.8	-166.2	0	0	0	0	109.6	E612	V610-E612 VanDerWaalsContact C-N 3.31Å; V610-E612 HydrophobicContact CB-CG 3.92Å; V610-E612 HydrophobicContact CG1-CG 3.5Å; V610-E612 VanDerWaalsContact CG1-CG 3.5Å; V610-E612 PolarHBondContact O-N 2.86Å
611	L	71.2	Confident	76.1	Confident	14 Å²	14	68.4 Å²	68.4	7%	0.073	37%	0.369	C	S	.	.			trans	-84.5	69.3	-179	-95	164.6	0	0	0	111.3	R434 T437 K471	R434-L611 HydrophobicContact CG-CB 4.29Å; R434-L611 WeakPolarHBondContact CG-O 3.4Å; T437-L611 HydrophobicContact CG2-CB 4.43Å; T437-L611 VanDerWaalsContact OG1-CD1 3.32Å; T437-L611 WeakPolarHBondContact OG1-CD1 3.46Å; K471-L611 HydrophobicContact CB-CD1 3.88Å; K471-L611 HydrophobicContact CB-CG 4.37Å; K471-L611 HydrophobicContact CD-CD1 4.27Å; K471-L611 HydrophobicContact CD-CD2 3.8Å; K471-L611 HydrophobicContact CD-CG 3.93Å
612	E	74.2	Confident	76.2	Confident	95 Å²	95	64.7 Å²	64.7	44%	0.444	35%	0.349	S	S	.	.			trans	-81.7	167.2	-176.5	-54	-159.2	133.7	0	0	113.6	R434 V610 K616	R434-E612 PolarHBondContact NE-O 2.88Å; R434-E612 PolarHBondContact NH2-O 3.26Å; V610-E612 VanDerWaalsContact C-N 3.31Å; V610-E612 HydrophobicContact CB-CG 3.92Å; V610-E612 HydrophobicContact CG1-CG 3.5Å; V610-E612 VanDerWaalsContact CG1-CG 3.5Å; V610-E612 PolarHBondContact O-N 2.86Å; E612-K616 IonicContact OE1-NZ 3.48Å; E612-K616 PolarHBondContact OE1-NZ 2.81Å; E612-K616 VanDerWaalsContact OE2-CD 3.23Å; E612-K616 WeakPolarHBondContact OE2-CD 3.46Å; E612-K616 IonicContact OE2-NZ 2.72Å; E612-K616 PolarHBondContact OE2-NZ 2.71Å
613	S	77.3	Confident	76.4	Confident	19 Å²	19	63.7 Å²	63.7	13%	0.133	35%	0.345	C	S	.	.			trans	-92	142.3	178.8	53.7	0	0	0	0	112.2	I366 E395 F615 K616	I366-S613 VanDerWaalsContact CD1-OG 3.28Å; I366-S613 WeakPolarHBondContact CD1-OG 3.29Å; E395-S613 WeakPolarHBondContact OE1-CB 3.49Å; S613-F615 PolarHBondContact O-N 2.98Å; S613-K616 PolarHBondContact O-N 3.5Å
614	P	75.4	Confident	76.4	Confident	54 Å²	54	62.4 Å²	62.4	35%	0.351	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	23.6	-180	32.3	-37	0	0	0	113.8	E395 R618	E395-P614 WeakPolarHBondContact OE2-CD 3.37Å; P614-R618 PolarHBondContact O-NE 3.17Å
615	F	76.9	Confident	76.7	Confident	14 Å²	14	61 Å²	61	6%	0.061	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.9	-9.1	178.9	-70.5	-98.1	0	0	0	112.8	Q359 A362 I366 L392 E395 S613 D617 R618	Q359-F615 HydrophobicContact CG-CE1 4.16Å; A362-F615 HydrophobicContact CB-CD1 3.95Å; A362-F615 HydrophobicContact CB-CE1 4.09Å; A362-F615 HydrophobicContact CB-CG 4.25Å; A362-F615 HydrophobicContact CB-CZ 4.48Å; I366-F615 HydrophobicContact CD1-CB 3.51Å; L392-F615 HydrophobicContact CD2-CE1 4.08Å; L392-F615 HydrophobicContact CD2-CE2 4.37Å; L392-F615 HydrophobicContact CD2-CZ 3.49Å; L392-F615 VanDerWaalsContact CD2-CZ 3.49Å; E395-F615 HydrophobicContact CG-CD2 3.73Å; E395-F615 HydrophobicContact CG-CE2 3.84Å; S613-F615 PolarHBondContact O-N 2.98Å; F615-D617 PolarHBondContact O-N 3.28Å; F615-R618 VanDerWaalsContact CD1-NE 3.34Å; F615-R618 WeakPolarHBondContact O-CB 3.47Å; F615-R618 PolarHBondContact O-N 3.07Å
616	K	73.9	Confident	77.5	Confident	86 Å²	86	56.6 Å²	56.6	37%	0.374	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-55.1	-50.7	-179.8	-176.4	-177	168.6	-171.4	0	112.6	E612 S613 R618 D619	E612-K616 IonicContact OE1-NZ 3.48Å; E612-K616 PolarHBondContact OE1-NZ 2.81Å; E612-K616 VanDerWaalsContact OE2-CD 3.23Å; E612-K616 WeakPolarHBondContact OE2-CD 3.46Å; E612-K616 IonicContact OE2-NZ 2.72Å; E612-K616 PolarHBondContact OE2-NZ 2.71Å; S613-K616 PolarHBondContact O-N 3.5Å; K616-R618 PolarHBondContact O-N 3.16Å; K616-D619 PolarHBondContact O-N 2.7Å
617	D	74.7	Confident	78	Confident	96 Å²	96	51.2 Å²	51.2	51%	0.513	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-73.3	-9.9	-175.5	-45.9	-47.1	0	0	0	113.9	F615 D619 H620	F615-D617 PolarHBondContact O-N 3.28Å; D617-D619 PolarHBondContact O-N 2.85Å; D617-H620 PolarHBondContact O-CD2 3.35Å; D617-H620 VanDerWaalsContact O-CD2 3.3Å
618	R	79.6	Confident	78.8	Confident	34 Å²	34	45.5 Å²	45.5	13%	0.128	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-71.7	-12	179.9	-63.4	173.1	-173.1	-98.9	4	112.8	T363 P614 F615 K616 H620 F621 H628 L629 N631	T363-R618 HydrophobicContact CG2-CB 4.38Å; P614-R618 PolarHBondContact O-NE 3.17Å; F615-R618 VanDerWaalsContact CD1-NE 3.34Å; F615-R618 WeakPolarHBondContact O-CB 3.47Å; F615-R618 PolarHBondContact O-N 3.07Å; K616-R618 PolarHBondContact O-N 3.16Å; R618-H620 PolarHBondContact O-N 3.1Å; R618-F621 PolarHBondContact O-N 2.89Å; R618-H628 PolarHBondContact NH1-O 3.24Å; R618-L629 PolarHBondContact NH1-O 2.8Å; R618-N631 HydrophobicContact CG-CB 4.15Å; R618-N631 VanDerWaalsContact CG-OD1 3.24Å; R618-N631 WeakPolarHBondContact CG-OD1 3.47Å
619	D	71.3	Confident	79.6	Confident	41 Å²	41	46.1 Å²	46.1	22%	0.219	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-64.6	-15.5	-177.9	-81.7	-19.8	0	0	0	114.6	T363 K367 K616 D617 F621	T363-D619 WeakPolarHBondContact CG2-OD1 3.08Å; K367-D619 WeakPolarHBondContact CE-OD1 3.42Å; K367-D619 WeakPolarHBondContact CE-OD2 3.4Å; K367-D619 IonicContact NZ-OD1 2.72Å; K367-D619 IonicContact NZ-OD2 3.52Å; K616-D619 PolarHBondContact O-N 2.7Å; D617-D619 PolarHBondContact O-N 2.85Å; D619-F621 VanDerWaalsContact C-N 3.32Å
620	H	78.4	Confident	80.2	Confident	152 Å²	152	49.8 Å²	49.8	70%	0.704	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-77.2	-14.8	170.7	-58.6	-63.3	0	0	0	113.4	D617 R618	D617-H620 PolarHBondContact O-CD2 3.35Å; D617-H620 VanDerWaalsContact O-CD2 3.3Å; R618-H620 PolarHBondContact O-N 3.1Å
621	F	85.2	Confident	81	Confident	29 Å²	29	47.7 Å²	47.7	13%	0.127	25%	0.251	C	S	.	.	S	Bend	trans	-100.7	143.4	180	-61.4	-64.8	0	0	0	112.3	R618 D619 L623 S627 H628 K633 Y637	R618-F621 PolarHBondContact O-N 2.89Å; D619-F621 VanDerWaalsContact C-N 3.32Å; F621-L623 PolarHBondContact O-N 3.22Å; F621-L623 VanDerWaalsContact O-N 3.09Å; F621-S627 VanDerWaalsContact CD1-CB 3.46Å; F621-H628 HydrophobicContact CB-CB 3.72Å; F621-K633 HydrophobicContact CE1-CB 4.35Å; F621-Y637 WeakPolarHBondContact CA-OH 3.24Å; F621-Y637 HydrophobicContact CD1-CD1 4.47Å; F621-Y637 AromaticContact CD1-CE1 3.82Å; F621-Y637 HydrophobicContact CD1-CE1 3.82Å; F621-Y637 AromaticContact CD1-CZ 3.97Å; F621-Y637 HydrophobicContact CE1-CE1 4.31Å
622	Q	84.5	Confident	81.7	Confident	14 Å²	14	49.5 Å²	49.5	7%	0.065	27%	0.268	C	S	.	.			trans	-60.9	115.6	174.5	-178.3	171.3	37.6	0	0	109.8	Q325 H329 G624 S625 H628 Y637 L640	Q325-Q622 HydrophobicContact CG-CG 4.29Å; H329-Q622 VanDerWaalsContact NE2-C 3.34Å; H329-Q622 WeakPolarHBondContact NE2-CA 3.35Å; Q622-G624 PolarHBondContact O-N 3.39Å; Q622-S625 WeakPolarHBondContact O-CB 3.29Å; Q622-S625 PolarHBondContact O-N 3.06Å; Q622-S625 PolarHBondContact O-OG 2.88Å; Q622-H628 WeakPolarHBondContact O-CB 3.12Å; Q622-Y637 HydrophobicContact CB-CE2 4.17Å; Q622-Y637 PolarHBondContact N-OH 3.36Å; Q622-L640 HydrophobicContact CB-CD1 4.14Å; Q622-L640 HydrophobicContact CB-CG 4.38Å; Q622-L640 HydrophobicContact CG-CD1 3.76Å; Q622-L640 HydrophobicContact CG-CG 4.14Å
623	L	85.8	Confident	82.3	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.01	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-40.8	131.3	170	-164.1	76.5	0	0	0	111	Q325 F328 H329 N360 M364 F621 S625	Q325-L623 VanDerWaalsContact CD-O 3.23Å; Q325-L623 VanDerWaalsContact CG-O 3.25Å; Q325-L623 WeakPolarHBondContact CG-O 3.49Å; Q325-L623 PolarHBondContact OE1-O 3.36Å; F328-L623 HydrophobicContact CB-CD2 3.98Å; F328-L623 HydrophobicContact CD1-CB 4.22Å; F328-L623 HydrophobicContact CD1-CD2 3.86Å; F328-L623 HydrophobicContact CE1-CD2 4.45Å; F328-L623 HydrophobicContact CG-CD2 3.89Å; H329-L623 WeakPolarHBondContact NE2-CA 3.45Å; H329-L623 WeakPolarHBondContact NE2-CB 3.21Å; H329-L623 PolarHBondContact NE2-N 3.1Å; N360-L623 HydrophobicContact CB-CD1 3.87Å; N360-L623 HydrophobicContact CB-CG 4.24Å; N360-L623 WeakPolarHBondContact OD1-CD1 3.45Å; N360-L623 VanDerWaalsContact OD1-CG 3.27Å; N360-L623 WeakPolarHBondContact OD1-CG 3.27Å; M364-L623 HydrophobicContact CE-CD2 4.39Å; M364-L623 HydrophobicContact CG-CD1 4.05Å; M364-L623 HydrophobicContact CG-CD2 3.87Å; M364-L623 HydrophobicContact SD-CD2 3.83Å; F621-L623 PolarHBondContact O-N 3.22Å; F621-L623 VanDerWaalsContact O-N 3.09Å; L623-S625 VanDerWaalsContact C-N 3.33Å; L623-S625 PolarHBondContact O-N 2.87Å
624	G	81.9	Confident	82.6	Confident	36 Å²	36	51.3 Å²	51.3	37%	0.371	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.4	-10.9	-177.8	0	0	0	0	0	115.7	N360 Q622	N360-G624 WeakPolarHBondContact OD1-CA 3.42Å; N360-G624 PolarHBondContact OD1-N 2.8Å; Q622-G624 PolarHBondContact O-N 3.39Å
625	S	86.6	Confident	82.8	Confident	21 Å²	21	52.7 Å²	52.7	15%	0.147	30%	0.3	C	S	.	.	S	Bend	trans	-78.2	158.4	178.7	71.3	0	0	0	0	113.6	Q622 L623 S627 H628 L629	Q622-S625 WeakPolarHBondContact O-CB 3.29Å; Q622-S625 PolarHBondContact O-N 3.06Å; Q622-S625 PolarHBondContact O-OG 2.88Å; L623-S625 VanDerWaalsContact C-N 3.33Å; L623-S625 PolarHBondContact O-N 2.87Å; S625-S627 PolarHBondContact O-N 3.19Å; S625-H628 WeakPolarHBondContact O-CB 3.35Å; S625-H628 PolarHBondContact O-N 3.21Å; S625-H628 PolarHBondContact OG-N 3.42Å; S625-L629 PolarHBondContact O-N 2.84Å; S625-L629 VanDerWaalsContact O-N 3.12Å
626	L	87.7	Confident	82.6	Confident	76 Å²	76	55.3 Å²	55.3	40%	0.398	33%	0.331	S	S	.	.	H	α-helix	trans	-60.7	-34.2	172.7	-178	61.2	0	0	0	112.2	F11 L629 L630 A634	F11-L626 HydrophobicContact CZ-CD2 4.08Å; L626-L629 HydrophobicContact CD1-CD2 4.3Å; L626-L629 WeakPolarHBondContact O-CB 3.48Å; L626-L629 PolarHBondContact O-N 3.39Å; L626-L630 HydrophobicContact CD1-CD1 3.98Å; L626-L630 HydrophobicContact CD1-CG 4.06Å; L626-L630 HydrophobicContact CD2-CD1 4.47Å; L626-L630 HydrophobicContact CG-CD1 3.91Å; L626-L630 HydrophobicContact CG-CG 4.35Å; L626-L630 WeakPolarHBondContact O-CG 3.31Å; L626-L630 PolarHBondContact O-N 3.43Å; L626-A634 HydrophobicContact CD2-CB 4.21Å; L626-A634 HydrophobicContact CG-CB 4.3Å
627	S	87.6	Confident	83	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.007	32%	0.318	C	S	.	.	H	α-helix	trans	-65.6	-39.1	177.3	-54.6	0	0	0	0	112.4	F621 S625 L630 N631 A632 A634 Y637	F621-S627 VanDerWaalsContact CD1-CB 3.46Å; S625-S627 PolarHBondContact O-N 3.19Å; S627-L630 PolarHBondContact O-N 3.18Å; S627-N631 VanDerWaalsContact O-CA 3.31Å; S627-N631 WeakPolarHBondContact O-CA 3.39Å; S627-N631 PolarHBondContact O-N 2.91Å; S627-A632 WeakPolarHBondContact CA-O 3.48Å; S627-A632 VanDerWaalsContact CB-O 3.22Å; S627-A632 WeakPolarHBondContact CB-O 3.48Å; S627-A632 PolarHBondContact O-N 3.45Å; S627-A632 VanDerWaalsContact O-N 3.15Å; S627-A634 WeakPolarHBondContact OG-CB 3.47Å; S627-A634 PolarHBondContact OG-N 3.08Å; S627-A634 VanDerWaalsContact OG-N 3.09Å; S627-Y637 VanDerWaalsContact OG-CB 3.24Å; S627-Y637 WeakPolarHBondContact OG-CB 3.48Å; S627-Y637 WeakPolarHBondContact OG-CD2 3.4Å
628	H	88.6	Confident	83.2	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-64.6	-39.2	173.5	173.8	-90.4	0	0	0	112.1	N360 T363 R618 F621 Q622 S625	N360-H628 PolarHBondContact OD1-CE1 3.06Å; N360-H628 PolarHBondContact OD1-ND1 2.85Å; T363-H628 WeakPolarHBondContact CB-NE2 3.49Å; T363-H628 PolarHBondContact OG1-CE1 2.87Å; T363-H628 PolarHBondContact OG1-NE2 3.11Å; R618-H628 PolarHBondContact NH1-O 3.24Å; F621-H628 HydrophobicContact CB-CB 3.72Å; Q622-H628 WeakPolarHBondContact O-CB 3.12Å; S625-H628 WeakPolarHBondContact O-CB 3.35Å; S625-H628 PolarHBondContact O-N 3.21Å; S625-H628 PolarHBondContact OG-N 3.42Å
629	L	86.8	Confident	83.4	Confident	48 Å²	48	55.7 Å²	55.7	25%	0.251	33%	0.332	S	S	.	.	H	α-helix	trans	-62.2	-49.3	174.7	-160.5	82.4	0	0	0	111.5	Y355 V356 Q359 R618 S625 L626	Y355-L629 HydrophobicContact CE1-CD1 4.25Å; V356-L629 HydrophobicContact CG2-CD1 4.38Å; Q359-L629 HydrophobicContact CG-CD1 4.03Å; Q359-L629 PolarHBondContact NE2-O 3.22Å; R618-L629 PolarHBondContact NH1-O 2.8Å; S625-L629 PolarHBondContact O-N 2.84Å; S625-L629 VanDerWaalsContact O-N 3.12Å; L626-L629 HydrophobicContact CD1-CD2 4.3Å; L626-L629 WeakPolarHBondContact O-CB 3.48Å; L626-L629 PolarHBondContact O-N 3.39Å
630	L	86	Confident	83.9	Confident	108 Å²	108	54.9 Å²	54.9	57%	0.565	33%	0.327	S	S	*	.	H	α-helix	trans	-80.6	-13.1	-177	-63	177.3	0	0	0	114.4	L626 S627 A632	L626-L630 HydrophobicContact CD1-CD1 3.98Å; L626-L630 HydrophobicContact CD1-CG 4.06Å; L626-L630 HydrophobicContact CD2-CD1 4.47Å; L626-L630 HydrophobicContact CG-CD1 3.91Å; L626-L630 HydrophobicContact CG-CG 4.35Å; L626-L630 WeakPolarHBondContact O-CG 3.31Å; L626-L630 PolarHBondContact O-N 3.43Å; S627-L630 PolarHBondContact O-N 3.18Å; L630-A632 HydrophobicContact CB-CB 4.42Å; L630-A632 PolarHBondContact O-N 3.03Å
631	N	86.9	Confident	84.1	Confident	61 Å²	61	49.6 Å²	49.6	33%	0.326	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	37.4	-165.1	-159.7	36.3	0	0	0	113.5	R618 S627	R618-N631 HydrophobicContact CG-CB 4.15Å; R618-N631 VanDerWaalsContact CG-OD1 3.24Å; R618-N631 WeakPolarHBondContact CG-OD1 3.47Å; S627-N631 VanDerWaalsContact O-CA 3.31Å; S627-N631 WeakPolarHBondContact O-CA 3.39Å; S627-N631 PolarHBondContact O-N 2.91Å
632	A	87.2	Confident	83.9	Confident	51 Å²	51	54.9 Å²	54.9	42%	0.421	34%	0.336	S	S	.	.	S	Bend	trans	-153.9	145.9	-176.8	0	0	0	0	0	110.7	S627 L630 A634	S627-A632 WeakPolarHBondContact CA-O 3.48Å; S627-A632 VanDerWaalsContact CB-O 3.22Å; S627-A632 WeakPolarHBondContact CB-O 3.48Å; S627-A632 PolarHBondContact O-N 3.45Å; S627-A632 VanDerWaalsContact O-N 3.15Å; L630-A632 HydrophobicContact CB-CB 4.42Å; L630-A632 PolarHBondContact O-N 3.03Å; A632-A634 PolarHBondContact O-N 3.4Å
633	K	85.7	Confident	83.7	Confident	129 Å²	129	56.6 Å²	56.6	56%	0.561	34%	0.342	S	S	*	.			trans	-68.1	101.5	-178.8	-174.1	153.5	-177.7	165.8	0	111.2	F621 Y637 E639	F621-K633 HydrophobicContact CE1-CB 4.35Å; K633-Y637 HydrophobicContact CD-CD1 4.3Å; K633-Y637 HydrophobicContact CG-CD1 4.02Å; K633-E639 VanDerWaalsContact CE-OE1 3.27Å; K633-E639 WeakPolarHBondContact CE-OE1 3.46Å; K633-E639 VanDerWaalsContact NZ-CD 3.25Å; K633-E639 IonicContact NZ-OE1 2.71Å; K633-E639 PolarHBondContact NZ-OE1 3.31Å; K633-E639 IonicContact NZ-OE2 2.67Å; K633-E639 PolarHBondContact NZ-OE2 2.68Å
634	A	84.4	Confident	83.5	Confident	23 Å²	23	58.1 Å²	58.1	19%	0.19	35%	0.352	C	S	.	.			trans	-69.3	157.1	177.6	0	0	0	0	0	112	L626 S627 A632 G636 Y637	L626-A634 HydrophobicContact CD2-CB 4.21Å; L626-A634 HydrophobicContact CG-CB 4.3Å; S627-A634 WeakPolarHBondContact OG-CB 3.47Å; S627-A634 PolarHBondContact OG-N 3.08Å; S627-A634 VanDerWaalsContact OG-N 3.09Å; A632-A634 PolarHBondContact O-N 3.4Å; A634-G636 PolarHBondContact O-N 3.14Å; A634-Y637 VanDerWaalsContact O-CB 3.23Å; A634-Y637 WeakPolarHBondContact O-CB 3.32Å; A634-Y637 PolarHBondContact O-N 3.09Å; A634-Y637 VanDerWaalsContact O-N 3.1Å
635	G	78.3	Confident	82.8	Confident	83 Å²	83	65.9 Å²	65.9	86%	0.856	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	132.7	173.6	0	0	0	0	0	111.4	Y637	G635-Y637 VanDerWaalsContact C-N 3.27Å; G635-Y637 PolarHBondContact O-N 2.78Å
636	G	73.7	Confident	82	Confident	69 Å²	69	69.2 Å²	69.2	71%	0.711	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	-2	-175.6	0	0	0	0	0	115.2	A634 Q638	A634-G636 PolarHBondContact O-N 3.14Å; G636-Q638 PolarHBondContact O-N 3.33Å; G636-Q638 VanDerWaalsContact O-N 3.16Å
637	Y	83.3	Confident	81.1	Confident	27 Å²	27	67.8 Å²	67.8	11%	0.106	40%	0.401	C	S	.	.			trans	-70	112.5	178	178.6	-101.7	0	0	0	112.2	F621 Q622 S627 K633 A634 G635 E639	F621-Y637 WeakPolarHBondContact CA-OH 3.24Å; F621-Y637 HydrophobicContact CD1-CD1 4.47Å; F621-Y637 AromaticContact CD1-CE1 3.82Å; F621-Y637 HydrophobicContact CD1-CE1 3.82Å; F621-Y637 AromaticContact CD1-CZ 3.97Å; F621-Y637 HydrophobicContact CE1-CE1 4.31Å; Q622-Y637 HydrophobicContact CB-CE2 4.17Å; Q622-Y637 PolarHBondContact N-OH 3.36Å; S627-Y637 VanDerWaalsContact OG-CB 3.24Å; S627-Y637 WeakPolarHBondContact OG-CB 3.48Å; S627-Y637 WeakPolarHBondContact OG-CD2 3.4Å; K633-Y637 HydrophobicContact CD-CD1 4.3Å; K633-Y637 HydrophobicContact CG-CD1 4.02Å; A634-Y637 VanDerWaalsContact O-CB 3.23Å; A634-Y637 WeakPolarHBondContact O-CB 3.32Å; A634-Y637 PolarHBondContact O-N 3.09Å; A634-Y637 VanDerWaalsContact O-N 3.1Å; G635-Y637 VanDerWaalsContact C-N 3.27Å; G635-Y637 PolarHBondContact O-N 2.78Å; Y637-E639 HydrophobicContact CE1-CG 3.94Å; Y637-E639 WeakPolarHBondContact CE1-OE1 3.22Å
638	Q	78.3	Confident	80.2	Confident	102 Å²	102	70.2 Å²	70.2	48%	0.477	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-92.5	128.8	166.9	-58.8	176.3	14.4	0	0	109.3	R250 G636	R250-Q638 PolarHBondContact NH2-O 3.49Å; G636-Q638 PolarHBondContact O-N 3.33Å; G636-Q638 VanDerWaalsContact O-N 3.16Å
639	E	82.8	Confident	79.1	Confident	95 Å²	95	74.7 Å²	74.7	44%	0.444	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-58.6	161	170.4	-87.5	97.1	-120.4	0	0	111.7	R250 K633 Y637	R250-E639 PolarHBondContact NH1-O 3.1Å; K633-E639 VanDerWaalsContact CE-OE1 3.27Å; K633-E639 WeakPolarHBondContact CE-OE1 3.46Å; K633-E639 VanDerWaalsContact NZ-CD 3.25Å; K633-E639 IonicContact NZ-OE1 2.71Å; K633-E639 PolarHBondContact NZ-OE1 3.31Å; K633-E639 IonicContact NZ-OE2 2.67Å; K633-E639 PolarHBondContact NZ-OE2 2.68Å; Y637-E639 HydrophobicContact CE1-CG 3.94Å; Y637-E639 WeakPolarHBondContact CE1-OE1 3.22Å
640	L	83.2	Confident	78.1	Confident	24 Å²	24	75 Å²	75	13%	0.126	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-74.8	134.7	167.9	-93.3	167.8	0	0	0	109.1	T249 R250 R253 H329 Q622	T249-L640 HydrophobicContact CG2-CD2 4.1Å; R250-L640 HydrophobicContact CG-CD2 4.33Å; R253-L640 HydrophobicContact CG-CD2 4.22Å; H329-L640 HydrophobicContact CB-CD1 4.22Å; Q622-L640 HydrophobicContact CB-CD1 4.14Å; Q622-L640 HydrophobicContact CB-CG 4.38Å; Q622-L640 HydrophobicContact CG-CD1 3.76Å; Q622-L640 HydrophobicContact CG-CG 4.14Å
641	P	82.4	Confident	77.1	Confident	42 Å²	42	73 Å²	73	27%	0.273	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-59.5	145.2	170.5	-24.9	35.6	0	0	0	112.2	R253 T254	R253-P641 HydrophobicContact CB-CB 4.4Å; R253-P641 WeakPolarHBondContact CB-O 3.34Å; R253-P641 PolarHBondContact NH1-O 2.83Å; R253-P641 VanDerWaalsContact NH1-O 3.09Å; T254-P641 HydrophobicContact CG2-CB 3.49Å; T254-P641 VanDerWaalsContact CG2-CB 3.49Å; T254-P641 HydrophobicContact CG2-CG 3.68Å
642	D	80.3	Confident	76.2	Confident	139 Å²	139	73.4 Å²	73.4	74%	0.743	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-68.9	162.7	165.1	-69	-54.2	0	0	0	111.1
643	W	81.3	Confident	75.4	Confident	50 Å²	50	71.4 Å²	71.4	19%	0.189	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-75	139.4	-177.6	-62.3	102.1	0	0	0	111.2	R253 F256 N258 H329 L330	R253-W643 VanDerWaalsContact CD-CD2 3.46Å; R253-W643 VanDerWaalsContact NE-CE2 3.29Å; R253-W643 WeakPolarHBondContact O-CA 3.49Å; F256-W643 VanDerWaalsContact O-CE3 3.28Å; N258-W643 HydrophobicContact CB-CB 4.16Å; N258-W643 HydrophobicContact CB-CD2 3.63Å; N258-W643 HydrophobicContact CB-CE3 4.32Å; N258-W643 HydrophobicContact CB-CG 3.6Å; N258-W643 HydrophobicContact CB-CZ2 4.2Å; H329-W643 WeakPolarHBondContact O-CZ2 3.16Å; L330-W643 HydrophobicContact CB-CH2 4.41Å; L330-W643 HydrophobicContact CD2-CH2 3.6Å; L330-W643 HydrophobicContact CD2-CZ2 4.27Å; L330-W643 HydrophobicContact CD2-CZ3 4.08Å
644	P	79.9	Confident	74.2	Confident	35 Å²	35	69.5 Å²	69.5	23%	0.227	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-67.2	146.9	173.9	30.6	-38.3	0	0	0	111.5	R253 F256 L257 S646	R253-P644 WeakPolarHBondContact O-CD 3.41Å; F256-P644 WeakPolarHBondContact O-CD 3.49Å; F256-P644 WeakPolarHBondContact O-CG 3.38Å; L257-P644 VanDerWaalsContact CD2-O 3.22Å; L257-P644 WeakPolarHBondContact CD2-O 3.37Å; P644-S646 VanDerWaalsContact C-N 3.32Å
645	E	68.2	Low	72.7	Confident	198 Å²	198	72.4 Å²	72.4	93%	0.925	44%	0.438	S	S	*	.	S	Bend	trans	-71.2	-28.3	174.6	-61.3	178	169.8	0	0	112.4
646	S	70.1	Confident	70.9	Confident	91 Å²	91	76.9 Å²	76.9	64%	0.636	44%	0.436	S	S	*	.	S	Bend	trans	-134.3	133.1	177.3	62.6	0	0	0	0	111	P644	P644-S646 VanDerWaalsContact C-N 3.32Å
647	A	68.2	Low	69.2	Low	47 Å²	47	80.8 Å²	80.8	39%	0.388	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-73.7	131.8	176.6	0	0	0	0	0	111.7	L257	L257-A647 HydrophobicContact CD2-CB 4.48Å; L257-A647 HydrophobicContact CG-CB 4.21Å
648	P	69.1	Low	66.6	Low	52 Å²	52	88.8 Å²	88.8	34%	0.338	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-60.6	150.7	166.7	-25.7	37.8	0	0	0	112.2	P650	P648-P650 WeakPolarHBondContact O-CD 3.3Å
649	D	66.3	Low	64.4	Low	94 Å²	94	89.2 Å²	89.2	50%	0.503	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-53.8	120.6	-175.1	-178	-6.4	0	0	0	112	S651 V652	D649-S651 PolarHBondContact O-N 3.4Å; D649-S651 WeakPolarHBondContact OD1-CB 3.2Å; D649-S651 PolarHBondContact OD1-N 3.46Å; D649-S651 PolarHBondContact OD1-OG 3.27Å; D649-S651 WeakPolarHBondContact OD2-CB 3.36Å; D649-S651 PolarHBondContact OD2-OG 3.48Å; D649-V652 HydrophobicContact CB-CG2 4.4Å; D649-V652 WeakPolarHBondContact O-CB 3.25Å; D649-V652 WeakPolarHBondContact O-CG2 3.41Å; D649-V652 PolarHBondContact O-N 2.81Å
650	P	65.1	Low	61.9	Low	56 Å²	56	92.3 Å²	92.3	36%	0.364	51%	0.508	S	S	.	.	G	3₁₀ helix	trans	-53.8	-22.1	175.3	-27.6	35.9	0	0	0	114.2	P648 V652 R653	P648-P650 WeakPolarHBondContact O-CD 3.3Å; P650-V652 PolarHBondContact O-N 2.95Å; P650-R653 WeakPolarHBondContact O-CB 3.21Å; P650-R653 PolarHBondContact O-N 2.94Å
651	S	63.8	Low	59.2	Low	64 Å²	64	100.5 Å²	100.5	45%	0.448	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-60.6	-24.7	174.6	-50.1	0	0	0	0	113.6	D649 R653 N654	D649-S651 PolarHBondContact O-N 3.4Å; D649-S651 WeakPolarHBondContact OD1-CB 3.2Å; D649-S651 PolarHBondContact OD1-N 3.46Å; D649-S651 PolarHBondContact OD1-OG 3.27Å; D649-S651 WeakPolarHBondContact OD2-CB 3.36Å; D649-S651 PolarHBondContact OD2-OG 3.48Å; S651-R653 PolarHBondContact O-N 2.92Å; S651-R653 VanDerWaalsContact O-N 3.17Å; S651-N654 WeakPolarHBondContact O-CA 3.39Å; S651-N654 WeakPolarHBondContact O-CB 3.32Å; S651-N654 PolarHBondContact O-N 2.81Å
652	V	68.4	Low	56.6	Low	70 Å²	70	104.6 Å²	104.6	42%	0.424	57%	0.567	S	S	.	*	G	3₁₀ helix	trans	-63.1	-21.6	174.3	-176.9	0	0	0	0	111.8	H223 D649 P650	H223-V652 HydrophobicContact CB-CG1 3.98Å; H223-V652 VanDerWaalsContact CD2-CG1 3.45Å; H223-V652 WeakPolarHBondContact CD2-CG1 3.19Å; D649-V652 HydrophobicContact CB-CG2 4.4Å; D649-V652 WeakPolarHBondContact O-CB 3.25Å; D649-V652 WeakPolarHBondContact O-CG2 3.41Å; D649-V652 PolarHBondContact O-N 2.81Å; P650-V652 PolarHBondContact O-N 2.95Å
653	R	71.6	Confident	54.1	Low	10 Å²	10	103.9 Å²	103.9	4%	0.038	57%	0.569	C	S	.	*	G	3₁₀ helix	trans	-95	-5.8	175.1	-50.3	171.5	-156.3	134.5	0.9	112.5	R227 Y251 Q255 D298 D300 P650 S651 V655	R227-R653 PolarHBondContact NH1-O 2.68Å; R227-R653 VanDerWaalsContact NH1-O 3.16Å; Y251-R653 PolarHBondContact OH-NE 3.34Å; Q255-R653 PolarHBondContact O-NH2 2.91Å; D298-R653 IonicContact OD1-NH1 2.68Å; D298-R653 IonicContact OD2-CZ 3.78Å; D298-R653 IonicContact OD2-NH1 3.94Å; D298-R653 PolarHBondContact OD2-NH1 2.87Å; D298-R653 IonicContact OD2-NH2 3.35Å; D300-R653 VanDerWaalsContact OD2-CD 3.31Å; D300-R653 WeakPolarHBondContact OD2-CD 3.41Å; D300-R653 IonicContact OD2-NH1 2.68Å; P650-R653 WeakPolarHBondContact O-CB 3.21Å; P650-R653 PolarHBondContact O-N 2.94Å; S651-R653 PolarHBondContact O-N 2.92Å; S651-R653 VanDerWaalsContact O-N 3.17Å; R653-V655 PolarHBondContact O-N 3.21Å
654	N	59	Low	51.4	Low	89 Å²	89	109.5 Å²	109.5	48%	0.476	60%	0.598	S	S	.	*			trans	-92.8	56.7	178.4	-66.3	-21.9	0	0	0	111.8	R227 S651	R227-N654 VanDerWaalsContact CZ-OD1 3.23Å; R227-N654 PolarHBondContact NH1-OD1 2.9Å; R227-N654 PolarHBondContact NH2-OD1 3.49Å; S651-N654 WeakPolarHBondContact O-CA 3.39Å; S651-N654 WeakPolarHBondContact O-CB 3.32Å; S651-N654 PolarHBondContact O-N 2.81Å
655	V	53	Low	48.9	Very low	83 Å²	83	119.2 Å²	119.2	50%	0.503	63%	0.63	S	S	.	*			trans	-85.9	123.4	173.2	-176.8	0	0	0	0	109.8	K224 R653 I657	K224-V655 HydrophobicContact CG-CG2 4.28Å; R653-V655 PolarHBondContact O-N 3.21Å; V655-I657 PolarHBondContact O-N 2.94Å
656	E	40.4	Very low	46.8	Very low	177 Å²	177	115 Å²	115	83%	0.827	62%	0.618	S	S	*	*			trans	-61	121.4	173.4	-68.2	-168.2	152.9	0	0	110.5	F658	E656-F658 PolarHBondContact O-N 3.07Å
657	I	37.9	Very low	44.7	Very low	151 Å²	151	119.7 Å²	119.7	77%	0.774	63%	0.627	S	S	*	*			trans	-70.3	105.8	173.3	-61	174.3	0	0	0	107.6	V655 S659	V655-I657 PolarHBondContact O-N 2.94Å; I657-S659 PolarHBondContact O-N 3.11Å
658	F	30.4	Very low	42.4	Very low	196 Å²	196	123.8 Å²	123.8	86%	0.86	65%	0.651	S	S	*	*			trans	-50.1	113.3	175.1	-117.6	-92.2	0	0	0	110.2	E656 L660	E656-F658 PolarHBondContact O-N 3.07Å; F658-L660 VanDerWaalsContact C-N 3.27Å; F658-L660 PolarHBondContact O-N 3.09Å
659	S	30.4	Very low	40.3	Very low	110 Å²	110	126.7 Å²	126.7	77%	0.769	67%	0.673	S	S	*	*			trans	-77.3	75.5	-171.2	44.9	0	0	0	0	111.1	I657 K661	I657-S659 PolarHBondContact O-N 3.11Å; S659-K661 PolarHBondContact O-N 2.66Å
660	L	31	Very low	38.3	Very low	160 Å²	160	127.8 Å²	127.8	84%	0.838	69%	0.688	S	S	*	*			trans	-55.2	114.2	171.2	-87.9	169.3	0	0	0	109.9	F658 V662	F658-L660 VanDerWaalsContact C-N 3.27Å; F658-L660 PolarHBondContact O-N 3.09Å; L660-V662 PolarHBondContact O-N 3.39Å
661	K	26.8	Very low	36.5	Very low	197 Å²	197	135.9 Å²	135.9	86%	0.857	71%	0.711	S	S	*	*			trans	-49.6	121.8	-171.6	-62.4	169.9	-179.3	174.7	0	111.8	S659	S659-K661 PolarHBondContact O-N 2.66Å
662	V	27.7	Very low	34.6	Very low	127 Å²	127	139.2 Å²	139.2	77%	0.77	72%	0.72	S	S	*	*			trans	-68.5	130.2	156.8	-179	0	0	0	0	107.2	L660 E664	L660-V662 PolarHBondContact O-N 3.39Å; V662-E664 PolarHBondContact O-N 3.5Å
663	P	27.9	Very low	32.6	Very low	124 Å²	124	143.7 Å²	143.7	81%	0.805	73%	0.733	S	S	*	*			trans	-64.2	115.5	171.3	-21.8	34.3	0	0	0	110.3	W665	P663-W665 PolarHBondContact O-N 2.67Å
664	E	25.2	Very low	30.4	Very low	168 Å²	168	153.2 Å²	153.2	79%	0.785	77%	0.769	S	S	*	*			trans	-86.1	110.1	-171.3	-171.5	-177.6	-168.2	0	0	112.5	V662	V662-E664 PolarHBondContact O-N 3.5Å
665	W	25.8	Very low	28.7	Very low	240 Å²	240	157.2 Å²	157.2	91%	0.909	78%	0.783	S	S	*	*			trans	-133.9	94.9	154.4	-164.6	-58.7	0	0	0	105	P663	P663-W665 PolarHBondContact O-N 2.67Å
666	T	26.1	Very low	27.6	Very low	109 Å²	109	161.4 Å²	161.4	67%	0.669	80%	0.797	S	S	*	*				-155	148.8	67.8	-44.4	0	0	0	0	111
667	K	24.5	Very low	26.7	Very low	190 Å²	190	163.2 Å²	163.2	83%	0.826	80%	0.802	S	S	*	*			trans	-58.5	143.7	177.1	-61.4	170.2	178.4	172.1	0	113.3
668	C	20.4	Very low	26.1	Very low	132 Å²	132	165.1 Å²	165.1	89%	0.892	80%	0.804	S	S	*	*				-154.5	117.2	123.7	-127	0	0	0	0	113.8
669	S	25.3	Very low	26	Very low	113 Å²	113	161.7 Å²	161.7	79%	0.79	80%	0.799	S	S	*	*			trans	-61.1	139.7	-170.5	148.9	0	0	0	0	117.8
670	S	24.3	Very low	25.6	Very low	118 Å²	118	165.4 Å²	165.4	83%	0.825	81%	0.805	S	S	*	*			trans	-156.5	80.5	142.5	47.6	0	0	0	0	115.9
671	R	26.7	Very low	25.6	Very low	225 Å²	225	167.2 Å²	167.2	85%	0.849	81%	0.806	S	S	*	*			trans	11.2	103.7	147.5	-162.6	176	-165	163.2	2.3	121.3
672	E	24.6	Very low	26.9	Very low	135 Å²	135	163.5 Å²	163.5	63%	0.631	80%	0.802	S	S	*	*			trans	38.8	126.7	130.8	-62.5	-159.2	121.2	0	0	124.6
673	K	25.9	Very low	26.7	Very low	163 Å²	163	165.4 Å²	165.4	71%	0.709	80%	0.8	S	S	*	*			trans	71.6	153.5	132.3	-67	170.5	-178.9	160.3	0	117.9
674	R	25.1	Very low	26.7	Very low	210 Å²	210	168.7 Å²	168.7	79%	0.792	80%	0.798	S	S	*	*			cis	-160.9	154.5	8.9	-138.9	178.7	179.3	170.4	-0.6	114
675	K	24.4	Very low	26.7	Very low	174 Å²	174	164.2 Å²	164.2	76%	0.757	79%	0.785	S	S	*	*			trans	75.6	141	147.2	-97.1	-174.9	174.1	-166	0	121.6
676	E	28.6	Very low	26.6	Very low	171 Å²	171	159.1 Å²	159.1	80%	0.799	78%	0.776	S	S	*	*			trans	-85.6	168.3	-178.3	-32.9	101.8	108.4	0	0	114
677	K	22.8	Very low	26.7	Very low	215 Å²	215	159.2 Å²	159.2	94%	0.935	78%	0.781	S	S	*	*			trans	-149.2	170.2	131.2	-120.6	-178.7	-179.8	-170.8	0	112.3
678	K	24	Very low	26.9	Very low	190 Å²	190	159.6 Å²	159.6	83%	0.826	79%	0.786	S	S	*	*			trans	-104.6	148	-162.8	-103.6	-172.3	175	-176.5	0	113.5
679	V	29.3	Very low	27.1	Very low	124 Å²	124	156.4 Å²	156.4	75%	0.752	77%	0.774	S	S	*	*			trans	62.4	121.7	142	176.3	0	0	0	0	118.4
680	E	22.2	Very low	27.1	Very low	189 Å²	189	160.5 Å²	160.5	88%	0.883	78%	0.781	S	S	*	*				-164.1	168.1	122.1	-112.4	164.5	-148.3	0	0	113.1
681	K	29.1	Very low	27.2	Very low	197 Å²	197	160.1 Å²	160.1	86%	0.857	78%	0.779	S	S	*	*			trans	-152.2	160.5	174.8	-101.1	-166.2	177.7	-170	0	105.5
682	P	55.7	Low	27.2	Very low	120 Å²	120	152.4 Å²	152.4	78%	0.779	77%	0.769	S	S	*	*			cis	-127.9	-144.3	-11.1	40.1	-21	0	0	0	110.6
683	F	23.4	Very low	27.7	Very low	167 Å²	167	151.5 Å²	151.5	73%	0.732	78%	0.775	S	S	*	*			trans	122.8	118.4	142.7	-163	-98.9	0	0	0	117.5
684	Y	27.9	Very low	27.8	Very low	192 Å²	192	149 Å²	149	75%	0.753	77%	0.774	S	S	*	*			trans	57.3	159.3	166.5	-88.9	-120	0	0	0	118.5
685	S	24.3	Very low	27.7	Very low	74 Å²	74	147.4 Å²	147.4	52%	0.517	78%	0.775	S	S	.	*			cis	-165.2	170.7	-38.1	-161.5	0	0	0	0	108.7
686	D	23.6	Very low	27.7	Very low	134 Å²	134	144.6 Å²	144.6	72%	0.717	78%	0.777	S	S	*	*			trans	70.2	131.5	163.1	-45.6	-23.6	0	0	0	114.4
687	S	28.6	Very low	27.7	Very low	111 Å²	111	141 Å²	141	78%	0.776	78%	0.777	S	S	*	*			cis	72.3	139.4	47.2	-51.5	0	0	0	0	111.9
688	E	27.7	Very low	27.8	Very low	198 Å²	198	137.9 Å²	137.9	93%	0.925	77%	0.77	S	S	*	*			cis	-130.7	-178.9	15.5	-30.3	-166.7	109.6	0	0	110.6
689	G	25.1	Very low	27.8	Very low	64 Å²	64	133.2 Å²	133.2	66%	0.66	76%	0.762	S	S	*	*			cis	170	170.6	1	0	0	0	0	0	110.9
690	E	24.9	Very low	27.5	Very low	199 Å²	199	135.6 Å²	135.6	93%	0.93	76%	0.764	S	S	*	*			trans	56.7	140.7	158.3	-58.1	-167.3	139.7	0	0	119.9
691	S	27.5	Very low	27.6	Very low	111 Å²	111	131.1 Å²	131.1	78%	0.776	75%	0.754	S	S	*	*			cis	-156.6	162.2	-7	55.8	0	0	0	0	110.8
692	G	25.7	Very low	27.4	Very low	62 Å²	62	129.7 Å²	129.7	64%	0.639	76%	0.756	S	S	*	*			trans	-82.2	-155.2	160.2	0	0	0	0	0	111.6
693	P	36	Very low	25.9	Very low	117 Å²	117	129.8 Å²	129.8	76%	0.76	76%	0.76	S	S	*	*			cis	-100.1	165.3	-1.3	6.7	17.6	0	0	0	111.8
694	T	27.2	Very low	26	Very low	111 Å²	111	126.8 Å²	126.8	68%	0.681	77%	0.766	S	S	*	*				69.7	144.2	53.8	79.9	0	0	0	0	116.4
695	E	23.6	Very low	25.8	Very low	176 Å²	176	123.5 Å²	123.5	82%	0.822	77%	0.771	S	S	*	*			trans	64.9	143.6	175	-69.3	127.8	-89.1	0	0	118.3
696	S	23.9	Very low	25.8	Very low	115 Å²	115	123.4 Å²	123.4	80%	0.804	78%	0.782	S	S	*	*			cis	-150.4	-176.2	-11.3	53.4	0	0	0	0	110.7
697	A	29.6	Very low	25.8	Very low	96 Å²	96	121.7 Å²	121.7	79%	0.793	78%	0.78	S	S	*	*			trans	-75.1	140.6	-173.4	0	0	0	0	0	114.9
698	D	24	Very low	25.6	Very low	149 Å²	149	124.1 Å²	124.1	80%	0.797	78%	0.779	S	S	*	*			trans	-149.7	130.6	161.8	-103.1	-43.1	0	0	0	106.1
699	S	23.8	Very low	25.3	Very low	92 Å²	92	120.4 Å²	120.4	64%	0.643	78%	0.775	S	S	*	*				101.6	-176.7	65.5	-71.1	0	0	0	0	110.8
700	E	24.6	Very low	25.2	Very low	173 Å²	173	120.5 Å²	120.5	81%	0.808	78%	0.776	S	S	*	*			trans	65	86.9	-171.1	-48.3	-69.2	121.5	0	0	113.4
701	S	23.5	Very low	25.3	Very low	96 Å²	96	116.9 Å²	116.9	67%	0.671	77%	0.773	S	S	*	*				71.1	116.8	50.8	94.6	0	0	0	0	115
702	D	25	Very low	25	Very low	166 Å²	166	120.5 Å²	120.5	89%	0.888	78%	0.777	S	S	*	*			trans	-64.2	148.3	171.2	-70.8	-70.2	0	0	0	112.2
703	S	24.3	Very low	25	Very low	123 Å²	123	121.3 Å²	121.3	86%	0.86	79%	0.786	S	S	*	*			trans	-148.7	130.9	160.2	-82.3	0	0	0	0	110.1
704	A	26.2	Very low	24.5	Very low	104 Å²	104	122.1 Å²	122.1	86%	0.86	79%	0.794	S	S	*	*			trans	-131.7	119.5	-163.7	0	0	0	0	0	114.4
705	S	22.9	Very low	24.4	Very low	123 Å²	123	120.6 Å²	120.6	86%	0.86	80%	0.801	S	S	*	*			trans	-160.5	141.1	146.6	50.1	0	0	0	0	105.5
706	G	23.5	Very low	24.3	Very low	72 Å²	72	118.4 Å²	118.4	74%	0.742	81%	0.805	S	S	*	*				97	127.6	60.1	0	0	0	0	0	107.9
707	S	24.6	Very low	24.3	Very low	97 Å²	97	117.2 Å²	117.2	68%	0.678	80%	0.802	S	S	*	*			cis	-167	-159.1	9.1	46.6	0	0	0	0	110.8
708	E	23.1	Very low	24	Very low	162 Å²	162	117.1 Å²	117.1	76%	0.757	80%	0.796	S	S	*	*			trans	79.1	111.5	165.7	-42.6	-41.6	135.3	0	0	121.1
709	S	23.1	Very low	23.9	Very low	120 Å²	120	118.6 Å²	118.6	84%	0.839	80%	0.798	S	S	*	*				58.7	117.2	125.9	-158.9	0	0	0	0	122.1
710	G	22.9	Very low	23.9	Very low	67 Å²	67	118.6 Å²	118.6	69%	0.691	80%	0.798	S	S	*	*				129.8	136.7	95.7	0	0	0	0	0	120.1
711	S	25.4	Very low	23.8	Very low	123 Å²	123	118.2 Å²	118.2	86%	0.86	80%	0.796	S	S	*	*			trans	75.1	127.8	154.9	-157.8	0	0	0	0	121.9
712	E	23	Very low	23.7	Very low	186 Å²	186	120.7 Å²	120.7	87%	0.869	80%	0.797	S	S	*	*			trans	-51.7	167	157.8	-52.2	170.3	-178.3	0	0	114.7
713	G	24.9	Very low	23.6	Very low	79 Å²	79	117.9 Å²	117.9	81%	0.814	79%	0.79	S	S	*	*			trans	-175.2	76.7	172.7	0	0	0	0	0	114.7
714	S	25.7	Very low	23.6	Very low	134 Å²	134	115.9 Å²	115.9	94%	0.937	79%	0.789	S	S	*	*			trans	-70.6	147.4	173.9	-59	0	0	0	0	112.7
715	G	24.1	Very low	23.4	Very low	80 Å²	80	114.5 Å²	114.5	83%	0.825	79%	0.785	S	S	*	*			trans	-163.8	91.1	177.5	0	0	0	0	0	115.2
716	S	22.9	Very low	23.4	Very low	129 Å²	129	115.6 Å²	115.6	90%	0.902	79%	0.786	S	S	*	*			trans	-91	150.6	167.3	-55.6	0	0	0	0	111.4
717	A	23.1	Very low	23.3	Very low	90 Å²	90	116.4 Å²	116.4	74%	0.744	78%	0.78	S	S	*	*			trans	-165.4	141.9	144.1	0	0	0	0	0	112.2
718	S	23	Very low	23.2	Very low	95 Å²	95	117.8 Å²	117.8	66%	0.664	78%	0.784	S	S	*	*			trans	30.3	128.2	149.3	55.4	0	0	0	0	120.2
719	E	22.2	Very low	23.2	Very low	180 Å²	180	118.3 Å²	118.3	84%	0.841	78%	0.784	S	S	*	*				62.6	148.6	64.2	-57.3	173.6	-158	0	0	112.5
720	S	23	Very low	23.2	Very low	91 Å²	91	118.1 Å²	118.1	64%	0.636	78%	0.778	S	S	*	*			cis	-160.9	165.2	25.3	-20.7	0	0	0	0	113.1
721	E	22.9	Very low	23.2	Very low	165 Å²	165	119.6 Å²	119.6	77%	0.771	78%	0.778	S	S	*	*			trans	62.6	146.1	141.3	-58.8	-68.3	88.8	0	0	120.7
722	E	22.8	Very low	23	Very low	148 Å²	148	120.5 Å²	120.5	69%	0.692	77%	0.769	S	S	*	*			cis	-169	165.8	-16.8	-140.5	-151.8	165.9	0	0	112.3
723	S	22.5	Very low	23	Very low	108 Å²	108	119.4 Å²	119.4	76%	0.755	76%	0.763	S	S	*	*			trans	67.2	151.9	148.7	81.9	0	0	0	0	120.7
724	G	23.3	Very low	22.9	Very low	80 Å²	80	120.4 Å²	120.4	83%	0.825	76%	0.758	S	S	*	*			cis	177.2	149.2	-6.9	0	0	0	0	0	111.3
725	G	22.9	Very low	22.6	Very low	75 Å²	75	117.8 Å²	117.8	77%	0.773	74%	0.739	S	S	*	*			trans	-162.1	20.5	-163.3	0	0	0	0	0	121.9
726	V	23.1	Very low	22.6	Very low	147 Å²	147	121.8 Å²	121.8	89%	0.891	74%	0.737	S	S	*	*			trans	66.1	122.6	161.8	-172	0	0	0	0	119.8
727	S	21.8	Very low	22.6	Very low	89 Å²	89	124 Å²	124	62%	0.622	73%	0.733	S	S	*	*			trans	-83.2	-179	178.2	50.2	0	0	0	0	116
728	V	22.7	Very low	22.6	Very low	126 Å²	126	125.4 Å²	125.4	76%	0.764	72%	0.724	S	S	*	*				178.7	112	128.8	145	0	0	0	0	108.2
729	F	22.4	Very low	22.5	Very low	172 Å²	172	126 Å²	126	75%	0.754	72%	0.72	S	S	*	*				69.6	141.2	82.6	-89.2	-73.7	0	0	0	113.6
730	V	22.9	Very low	22.5	Very low	116 Å²	116	127.3 Å²	127.3	70%	0.703	72%	0.717	S	S	*	*			cis	-132.4	-172	9.7	-134.6	0	0	0	0	108.8
731	S	22.1	Very low	22.4	Very low	99 Å²	99	130.6 Å²	130.6	69%	0.692	72%	0.72	S	S	*	*			cis	-149	-115.8	8.9	45.9	0	0	0	0	114.4
732	E	22.4	Very low	22.4	Very low	142 Å²	142	131.2 Å²	131.2	66%	0.664	72%	0.722	S	S	*	*				-155.7	176.8	-129.7	-76.6	156.5	80.1	0	0	112.5
733	Q	22.3	Very low	22.3	Very low	162 Å²	162	129.9 Å²	129.9	76%	0.757	72%	0.716	S	S	*	*			cis	-159.1	176.2	-0.4	-123.4	177.6	70.1	0	0	106
734	S	22.2	Very low	22.3	Very low	101 Å²	101	134.4 Å²	134.4	71%	0.706	72%	0.717	S	S	*	*			cis	-161.7	-166.6	-3.8	57.4	0	0	0	0	106.1
735	S	20.6	Very low	22.1	Very low	78 Å²	78	139 Å²	139	55%	0.545	71%	0.714	S	S	.	*			cis	-156.7	-179.1	-1.6	71.2	0	0	0	0	111.2
736	E	23.4	Very low	21.9	Very low	164 Å²	164	142.4 Å²	142.4	77%	0.766	71%	0.711	S	S	*	*			trans	25.1	149.6	144.8	-66.2	126.7	-136.8	0	0	123.9
737	E	22.8	Very low	21.8	Very low	175 Å²	175	143.1 Å²	143.1	82%	0.818	70%	0.703	S	S	*	*			cis	-165.3	177.1	-16.3	-114.6	-158	136.6	0	0	107.6
738	E	22.9	Very low	21.7	Very low	120 Å²	120	146.1 Å²	146.1	56%	0.561	71%	0.707	S	S	*	*			cis	-123.3	174	2.9	-162.3	-154.7	-143.8	0	0	108.9	R740	E738-R740 IonicContact OE1-CZ 3.34Å; E738-R740 IonicContact OE1-NE 3.11Å; E738-R740 PolarHBondContact OE1-NE 3.42Å; E738-R740 VanDerWaalsContact OE1-NE 3.11Å; E738-R740 IonicContact OE1-NH2 3.15Å; E738-R740 PolarHBondContact OE1-NH2 3Å; E738-R740 WeakPolarHBondContact OE2-CG 3.43Å; E738-R740 IonicContact OE2-CZ 3.8Å; E738-R740 IonicContact OE2-NE 2.89Å; E738-R740 PolarHBondContact OE2-NE 2.66Å; E738-R740 IonicContact OE2-NH2 2.69Å
739	D	21	Very low	21.7	Very low	108 Å²	108	148.4 Å²	148.4	58%	0.578	71%	0.709	S	S	*	*			trans	-127.3	137.2	172.6	-175.9	10.9	0	0	0	109.4	K741	D739-K741 IonicContact OD1-NZ 3.98Å; D739-K741 IonicContact OD2-NZ 2.8Å; D739-K741 PolarHBondContact OD2-NZ 2.83Å
740	R	22.7	Very low	21.7	Very low	208 Å²	208	149 Å²	149	79%	0.785	71%	0.711	S	S	*	*			trans	-141	115.8	165.9	-70.3	-165.5	-171.1	-141	-7.3	113.2	E738	E738-R740 IonicContact OE1-CZ 3.34Å; E738-R740 IonicContact OE1-NE 3.11Å; E738-R740 PolarHBondContact OE1-NE 3.42Å; E738-R740 VanDerWaalsContact OE1-NE 3.11Å; E738-R740 IonicContact OE1-NH2 3.15Å; E738-R740 PolarHBondContact OE1-NH2 3Å; E738-R740 WeakPolarHBondContact OE2-CG 3.43Å; E738-R740 IonicContact OE2-CZ 3.8Å; E738-R740 IonicContact OE2-NE 2.89Å; E738-R740 PolarHBondContact OE2-NE 2.66Å; E738-R740 IonicContact OE2-NH2 2.69Å
741	K	20.5	Very low	21.7	Very low	159 Å²	159	148.7 Å²	148.7	69%	0.691	71%	0.714	S	S	*	*			trans	-115.2	148.7	170.6	-64	165.2	-177.7	122.2	0	110.2	D739	D739-K741 IonicContact OD1-NZ 3.98Å; D739-K741 IonicContact OD2-NZ 2.8Å; D739-K741 PolarHBondContact OD2-NZ 2.83Å
742	H	23	Very low	21.6	Very low	178 Å²	178	151 Å²	151	82%	0.824	72%	0.719	S	S	*	*			trans	-173.5	124	137.7	-98.9	38.4	0	0	0	106.2
743	E	21	Very low	21.6	Very low	121 Å²	121	148.9 Å²	148.9	57%	0.565	72%	0.72	S	S	*	*				85.5	120.4	58.1	-84.3	-129.3	104.5	0	0	115.5
744	R	21.4	Very low	21.6	Very low	203 Å²	203	149.8 Å²	149.8	77%	0.766	72%	0.724	S	S	*	*			trans	70.8	160.2	149.4	-64.5	174	-164.4	178.9	17.4	118.8
745	K	19.7	Very low	21.6	Very low	177 Å²	177	149.4 Å²	149.4	77%	0.77	72%	0.721	S	S	*	*			cis	-169.2	138.4	-41.7	-137.5	-177.4	-179.2	178.5	0	109.8
746	M	19.6	Very low	21.6	Very low	145 Å²	145	153.4 Å²	153.4	71%	0.714	73%	0.731	S	S	*	*			trans	59.6	126.5	151.7	-73.2	167.7	67.4	0	0	123.6
747	K	19.7	Very low	21.5	Very low	163 Å²	163	150.8 Å²	150.8	71%	0.709	73%	0.731	S	S	*	*			trans	75.1	110.2	130.2	-77.9	-162.4	168.5	-147.3	0	124.2
748	Q	20.9	Very low	21.4	Very low	152 Å²	152	150 Å²	150	71%	0.71	73%	0.733	S	S	*	*				68	111.6	104.2	-169.9	-177.8	18.8	0	0	121.1
749	Q	22.3	Very low	21.4	Very low	173 Å²	173	153.7 Å²	153.7	81%	0.808	75%	0.75	S	S	*	*			trans	-170.9	136.6	141.7	-111.5	179.1	38.3	0	0	114.4
750	K	22.1	Very low	21.5	Very low	185 Å²	185	157 Å²	157	80%	0.804	76%	0.761	S	S	*	*			trans	47.7	149.7	145.8	-67.4	-179.7	175.3	-173.2	0	121.2
751	S	22.4	Very low	21.4	Very low	109 Å²	109	155.2 Å²	155.2	76%	0.762	76%	0.762	S	S	*	*			cis	-145.6	154.5	14.1	51.8	0	0	0	0	114.4
752	D	21.7	Very low	21.4	Very low	148 Å²	148	154.9 Å²	154.9	79%	0.791	76%	0.763	S	S	*	*			trans	-78.6	178.3	178.7	-38.7	-86.8	0	0	0	111.9
753	S	21.1	Very low	21.4	Very low	97 Å²	97	150.5 Å²	150.5	68%	0.678	75%	0.753	S	S	*	*			cis	-158.9	143	37.1	61.7	0	0	0	0	112.8
754	E	23.1	Very low	21.4	Very low	182 Å²	182	152.7 Å²	152.7	85%	0.85	76%	0.763	S	S	*	*				69.2	141.5	106.7	-65	-176.4	-170.6	0	0	116.9
755	S	21.2	Very low	21.4	Very low	92 Å²	92	147.5 Å²	147.5	64%	0.643	76%	0.758	S	S	*	*			cis	-165.4	-175.4	0.1	49.8	0	0	0	0	112.7
756	E	21.7	Very low	21.6	Very low	163 Å²	163	147 Å²	147	76%	0.762	76%	0.758	S	S	*	*			trans	89.6	133.5	160.6	-58.7	-54.2	130.2	0	0	122.9
757	S	19.9	Very low	21.7	Very low	108 Å²	108	145.3 Å²	145.3	76%	0.755	76%	0.76	S	S	*	*			trans	58.8	141.3	147	57	0	0	0	0	124.3
758	D	21.9	Very low	21.8	Very low	160 Å²	160	142.1 Å²	142.1	86%	0.856	76%	0.759	S	S	*	*			trans	-76.9	152.7	166.1	-45	-92.1	0	0	0	113.4
759	E	23.1	Very low	21.9	Very low	197 Å²	197	144.1 Å²	144.1	92%	0.921	77%	0.768	S	S	*	*			trans	-164.5	177.1	133.9	-118.6	172.5	-148.1	0	0	111.5
760	E	21.8	Very low	21.9	Very low	176 Å²	176	140.6 Å²	140.6	82%	0.822	76%	0.763	S	S	*	*			trans	-101.9	167.7	-164.1	-47.2	-177.9	128.4	0	0	114.8
761	E	21.3	Very low	21.9	Very low	172 Å²	172	140.6 Å²	140.6	80%	0.804	77%	0.765	S	S	*	*			trans	60.1	172.4	160.6	-62.3	-68.8	178.1	0	0	115.9
762	E	21.5	Very low	22	Very low	151 Å²	151	140 Å²	140	71%	0.706	76%	0.761	S	S	*	*			cis	-144	156.2	-3.4	-145.1	-160	-119.9	0	0	109.9
763	S	21.8	Very low	22	Very low	87 Å²	87	139.3 Å²	139.3	61%	0.608	76%	0.758	S	S	*	*			trans	46	154.7	138.4	74.6	0	0	0	0	125.3
764	E	21.6	Very low	22	Very low	166 Å²	166	141.4 Å²	141.4	78%	0.776	76%	0.761	S	S	*	*				-164.6	143.9	127.9	-107.1	-69.3	-173.5	0	0	110.9
765	S	21.8	Very low	22.1	Very low	94 Å²	94	137 Å²	137	66%	0.657	75%	0.75	S	S	*	*			trans	-18.6	143.8	-177.3	43.7	0	0	0	0	122.2
766	E	23.6	Very low	22.3	Very low	168 Å²	168	141.3 Å²	141.3	79%	0.785	76%	0.76	S	S	*	*			cis	87.8	130.3	38.8	-84.9	-70.9	178.7	0	0	116.9
767	S	20.8	Very low	22.4	Very low	108 Å²	108	138.2 Å²	138.2	76%	0.755	76%	0.756	S	S	*	*			trans	172.8	95.1	145.6	33.6	0	0	0	0	114.2
768	S	23.1	Very low	22.5	Very low	97 Å²	97	141.4 Å²	141.4	68%	0.678	76%	0.759	S	S	*	*			trans	29.6	130.9	134.2	65.8	0	0	0	0	121.9
769	Q	21.9	Very low	22.6	Very low	194 Å²	194	137.3 Å²	137.3	91%	0.907	75%	0.748	S	S	*	*				-166.1	152.9	102.9	-106.9	177.5	-6.4	0	0	113.9
770	S	22.1	Very low	22.5	Very low	99 Å²	99	136.2 Å²	136.2	69%	0.692	74%	0.743	S	S	*	*			trans	-90.1	-179.9	175.1	49.2	0	0	0	0	110.5
771	E	23	Very low	22.5	Very low	185 Å²	185	133.8 Å²	133.8	86%	0.864	74%	0.735	S	S	*	*				-147.4	-165.3	51.1	-53.3	-151.2	129.2	0	0	114.5
772	S	24.5	Very low	22.4	Very low	96 Å²	96	129.8 Å²	129.8	67%	0.671	73%	0.726	S	S	*	*			trans	-95.2	-170.7	-157.8	53.3	0	0	0	0	113.4
773	D	21.7	Very low	22.5	Very low	134 Å²	134	130.6 Å²	130.6	72%	0.717	73%	0.73	S	S	*	*			cis	-163.6	179.2	30.4	-128.2	-41.3	0	0	0	116.9
774	D	21.5	Very low	22.5	Very low	141 Å²	141	132.8 Å²	132.8	75%	0.754	73%	0.731	S	S	*	*			trans	91.6	77.8	155.7	-84.9	-35.6	0	0	0	124.2
775	S	24.9	Very low	22.5	Very low	88 Å²	88	131.9 Å²	131.9	62%	0.615	72%	0.724	S	S	*	*				66.5	144.8	100.6	-49.7	0	0	0	0	125.8
776	E	25.7	Very low	22.6	Very low	184 Å²	184	133.6 Å²	133.6	86%	0.86	73%	0.725	S	S	*	*			trans	74.5	145.2	155.9	-49.5	-145.7	159	0	0	120.4
777	S	22.9	Very low	22.7	Very low	97 Å²	97	132.5 Å²	132.5	68%	0.678	72%	0.724	S	S	*	*			cis	-154.5	152.5	1.8	9.4	0	0	0	0	115.3
778	E	22.6	Very low	22.8	Very low	175 Å²	175	131.9 Å²	131.9	82%	0.818	72%	0.719	S	S	*	*			trans	70.3	113.6	140.5	-65.3	-62.2	90	0	0	125.8
779	A	22.7	Very low	22.8	Very low	74 Å²	74	136.3 Å²	136.3	61%	0.612	73%	0.727	S	S	*	*				82.8	124.2	115.1	0	0	0	0	0	124.5
780	E	21.3	Very low	22.8	Very low	174 Å²	174	131.5 Å²	131.5	81%	0.813	72%	0.72	S	S	*	*			trans	39.9	159.8	132.4	-44.4	-163.3	165	0	0	122.8
781	N	21.3	Very low	22.8	Very low	126 Å²	126	130.8 Å²	130.8	67%	0.674	72%	0.72	S	S	*	*			cis	-155.7	169.2	8.9	-149.4	-34.5	0	0	0	112.9
782	S	20.8	Very low	22.7	Very low	87 Å²	87	130.6 Å²	130.6	61%	0.608	72%	0.719	S	S	*	*			trans	66.6	128.3	139.5	63.5	0	0	0	0	124
783	E	22.4	Very low	22.6	Very low	169 Å²	169	132 Å²	132	79%	0.79	73%	0.729	S	S	*	*			trans	88.8	93.1	130.2	-76	-179.4	-168.2	0	0	123.2
784	E	22.3	Very low	22.6	Very low	133 Å²	133	135.3 Å²	135.3	62%	0.621	74%	0.737	S	S	*	*				84.6	133.6	105	-88.4	-154.4	137.4	0	0	125
785	K	22.5	Very low	23.2	Very low	147 Å²	147	134.3 Å²	134.3	64%	0.639	74%	0.738	S	S	*	*			trans	93.5	98.4	133.7	-78.8	179.7	171.6	128.3	0	122.9
786	L	24	Very low	23.5	Very low	130 Å²	130	134.8 Å²	134.8	68%	0.681	74%	0.739	S	S	*	*				96.4	116.7	118.9	-63.2	170.1	0	0	0	122
787	L	24.5	Very low	23.3	Very low	145 Å²	145	131.6 Å²	131.6	76%	0.759	74%	0.737	S	S	*	*				72.4	143.3	127.4	-63.9	176.2	0	0	0	119.8
788	S	23.5	Very low	23.3	Very low	94 Å²	94	136.1 Å²	136.1	66%	0.657	75%	0.745	S	S	*	*			cis	-161.8	151.9	1	34.5	0	0	0	0	115.9
789	K	23.6	Very low	23.5	Very low	191 Å²	191	134.3 Å²	134.3	83%	0.83	75%	0.748	S	S	*	*			trans	56	96.5	142.8	-69.1	-178.2	175.9	-175	0	121
790	A	21.3	Very low	23.5	Very low	93 Å²	93	135 Å²	135	77%	0.769	75%	0.754	S	S	*	*				51.3	130.2	95.7	0	0	0	0	0	122.4
791	A	21.2	Very low	23.6	Very low	83 Å²	83	136.1 Å²	136.1	69%	0.686	76%	0.756	S	S	*	*				88	120.6	130	0	0	0	0	0	122.5
792	E	21.3	Very low	23.6	Very low	182 Å²	182	141.2 Å²	141.2	85%	0.85	77%	0.766	S	S	*	*			trans	56.8	117.2	132	-59	-178.1	123.8	0	0	122.1
793	S	22.8	Very low	23.6	Very low	126 Å²	126	145.9 Å²	145.9	88%	0.881	78%	0.778	S	S	*	*				173.2	167.8	97.9	48.2	0	0	0	0	113.8
794	K	20.7	Very low	23.6	Very low	203 Å²	203	143.9 Å²	143.9	88%	0.883	78%	0.778	S	S	*	*			trans	-143.1	166.8	177.7	-89.4	-179.1	176.3	173.6	0	109
795	P	35.3	Very low	23.7	Very low	119 Å²	119	144.6 Å²	144.6	77%	0.773	79%	0.791	S	S	*	*			cis	-111	-87.9	-21.5	27	-6.3	0	0	0	111
796	P	30.7	Very low	23.8	Very low	99 Å²	99	147.4 Å²	147.4	64%	0.643	80%	0.803	S	S	*	*			cis	-120.1	158	-25.7	38.2	-22.8	0	0	0	116.2
797	S	21.7	Very low	23.8	Very low	117 Å²	117	150.5 Å²	150.5	82%	0.818	81%	0.814	S	S	*	*			trans	60.7	140.3	149.8	54.2	0	0	0	0	123
798	K	23.1	Very low	24	Very low	192 Å²	192	153.7 Å²	153.7	84%	0.835	82%	0.822	S	S	*	*			trans	-86.9	168.5	169	-56	173.3	-178.5	174	0	111
799	P	26.2	Very low	24	Very low	136 Å²	136	158.4 Å²	158.4	88%	0.883	83%	0.831	S	S	*	*				-133.1	-176	97.5	37.9	-28.8	0	0	0	113.2
800	A	22	Very low	24.1	Very low	89 Å²	89	157.9 Å²	157.9	74%	0.736	83%	0.831	S	S	*	*			trans	-152.8	149.9	-172	0	0	0	0	0	114.7
801	K	23.8	Very low	24.5	Very low	198 Å²	198	161.5 Å²	161.5	86%	0.861	83%	0.834	S	S	*	*			trans	-176.3	140.4	140.5	-103.3	162.8	-174.7	178.6	0	111.5
802	R	21.1	Very low	24.9	Very low	232 Å²	232	162.9 Å²	162.9	88%	0.875	84%	0.839	S	S	*	*			trans	27.3	144.4	146.6	-59.9	-176.9	177.6	172.1	-2	119.3
803	E	22.6	Very low	25.8	Very low	186 Å²	186	160 Å²	160	87%	0.869	83%	0.829	S	S	*	*			cis	-135.3	-151.6	42.4	-73.2	-171.3	143.4	0	0	115.5
804	T	21.6	Very low	26.7	Very low	127 Å²	127	156.8 Å²	156.8	78%	0.779	80%	0.801	S	S	*	*			trans	-120	145.1	-148.7	54.2	0	0	0	0	115.7
805	T	24	Very low	27.2	Very low	148 Å²	148	154.5 Å²	154.5	91%	0.908	80%	0.799	S	S	*	*			trans	-144	152.2	136.4	21.3	0	0	0	0	109.5
806	K	25.6	Very low	27.4	Very low	205 Å²	205	152.9 Å²	152.9	89%	0.891	78%	0.783	S	S	*	*			trans	-97.6	134.4	-177.9	-65.9	176.3	179.2	176.1	0	110.9
807	E	24.1	Very low	27.3	Very low	196 Å²	196	156 Å²	156	92%	0.916	79%	0.794	S	S	*	*			trans	-126.5	149.9	153.5	-69.8	-165.7	142.3	0	0	109.7
808	K	26.8	Very low	27.7	Very low	212 Å²	212	157.7 Å²	157.7	92%	0.922	79%	0.794	S	S	*	*			trans	-76.6	126.7	179.7	-67.3	-178.8	179.1	-178.6	0	109
809	K	24.4	Very low	28	Very low	192 Å²	192	156.5 Å²	156.5	84%	0.835	79%	0.789	S	S	*	*			trans	-105.7	104.3	172	-157.6	175.2	-172.1	-176.1	0	109.8
810	E	26.6	Very low	27.9	Very low	180 Å²	180	159 Å²	159	84%	0.841	79%	0.789	S	S	*	*			trans	-62.3	136.8	166.1	-65.1	178.9	160.3	0	0	108.8	S812	E810-S812 PolarHBondContact O-N 2.87Å
811	M	29.1	Very low	28.1	Very low	170 Å²	170	160 Å²	160	84%	0.837	79%	0.789	S	S	*	*			trans	-96.4	87.5	-178.6	-66.3	-169.4	-172.7	0	0	110.3	L813	M811-L813 PolarHBondContact O-N 3.38Å
812	S	30.3	Very low	28.2	Very low	112 Å²	112	155.1 Å²	155.1	78%	0.783	79%	0.785	S	S	*	*			trans	-58	107.4	164.3	-55.7	0	0	0	0	109.3	E810	E810-S812 PolarHBondContact O-N 2.87Å
813	L	39.8	Very low	28.5	Very low	121 Å²	121	150.2 Å²	150.2	63%	0.634	78%	0.783	S	S	*	*			trans	-105.7	37.7	-170.1	-161.4	114.4	0	0	0	113	M811	M811-L813 PolarHBondContact O-N 3.38Å
814	L	41.3	Very low	28.6	Very low	59 Å²	59	146.6 Å²	146.6	31%	0.309	78%	0.778	S	S	.	*			trans	-146	56.7	-177.2	-71	176	0	0	0	112.6	L816	L814-L816 HydrophobicContact CD2-CD1 4.15Å
815	D	31.5	Very low	28.8	Very low	155 Å²	155	146.2 Å²	146.2	83%	0.829	78%	0.778	S	S	*	*			trans	-80.1	119.3	157	-71	-27.1	0	0	0	107.9
816	L	39	Very low	29	Very low	85 Å²	85	148.4 Å²	148.4	45%	0.445	78%	0.778	S	S	.	*			trans	-135.7	35.2	-173.5	-77.4	176.5	0	0	0	112.7	L814 D818	L814-L816 HydrophobicContact CD2-CD1 4.15Å; L816-D818 VanDerWaalsContact C-N 3.33Å; L816-D818 PolarHBondContact O-N 2.9Å; L816-D818 VanDerWaalsContact O-N 3.08Å
817	D	29.8	Very low	29	Very low	163 Å²	163	145.2 Å²	145.2	87%	0.872	78%	0.775	S	S	*	*			trans	-79.8	77.3	170.2	-72.4	-36.8	0	0	0	110.8
818	D	28.6	Very low	29	Very low	154 Å²	154	141.6 Å²	141.6	82%	0.824	77%	0.767	S	S	*	*			trans	-162.6	92.8	162.5	-109.6	-26.2	0	0	0	110.3	L816	L816-D818 VanDerWaalsContact C-N 3.33Å; L816-D818 PolarHBondContact O-N 2.9Å; L816-D818 VanDerWaalsContact O-N 3.08Å
819	F	29.3	Very low	29	Very low	166 Å²	166	137.2 Å²	137.2	73%	0.728	76%	0.76	S	S	*	*			trans	-146.6	72.9	179.6	-91.7	-76.9	0	0	0	111.8
820	E	25.8	Very low	29.1	Very low	188 Å²	188	134.6 Å²	134.6	88%	0.879	76%	0.76	S	S	*	*			trans	-92.8	141.1	166.2	-68.6	-155.1	144	0	0	112.4
821	P	26.3	Very low	29.1	Very low	112 Å²	112	133 Å²	133	73%	0.727	76%	0.757	S	S	*	*			trans	-92.6	113.3	-175.8	34	-32.7	0	0	0	113.5
822	A	24.6	Very low	29.2	Very low	94 Å²	94	130.5 Å²	130.5	78%	0.777	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-82.9	151.6	166.7	0	0	0	0	0	112.2
823	P	26.6	Very low	29.2	Very low	130 Å²	130	133.5 Å²	133.5	84%	0.844	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-77	153.4	-173.6	31	-36.1	0	0	0	114.2
824	S	25.3	Very low	28.8	Very low	110 Å²	110	135 Å²	135	77%	0.769	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-100.9	135.1	-172.6	55.9	0	0	0	0	114.5
825	P	26.6	Very low	28.4	Very low	119 Å²	119	135.7 Å²	135.7	77%	0.773	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-80.9	153	155.6	33.8	-31.3	0	0	0	111.2
826	Q	28.5	Very low	28.5	Very low	194 Å²	194	135 Å²	135	91%	0.907	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-85.5	138.8	179.5	-64.8	176.6	-17.1	0	0	112.1
827	V	24.1	Very low	28.5	Very low	137 Å²	137	134.3 Å²	134.3	83%	0.83	76%	0.764	S	S	*	*			trans	-140	147	166.9	-173.9	0	0	0	0	109.5
828	T	25	Very low	29	Very low	120 Å²	120	129.3 Å²	129.3	74%	0.736	74%	0.737	S	S	*	*			trans	-80.3	154.3	-175.8	41.2	0	0	0	0	114
829	P	26.3	Very low	29.7	Very low	120 Å²	120	126.1 Å²	126.1	78%	0.779	72%	0.722	S	S	*	*			trans	-76.3	143.8	176.5	31.4	-34.9	0	0	0	112.3
830	V	26.3	Very low	30.2	Very low	138 Å²	138	122.6 Å²	122.6	84%	0.836	71%	0.714	S	S	*	*			trans	-113.8	139.8	170.7	-179.4	0	0	0	0	108.5	N832	V830-N832 PolarHBondContact O-N 2.7Å
831	N	27.9	Very low	30.8	Very low	146 Å²	146	117.9 Å²	117.9	78%	0.781	70%	0.695	S	S	*	*			trans	-72	126.8	-166.6	-78.3	-13.2	0	0	0	114.9
832	N	30.6	Very low	31.5	Very low	117 Å²	117	118.7 Å²	118.7	63%	0.626	69%	0.693	S	S	*	*			trans	14.6	106.9	144	-59.4	-6.9	0	0	0	118.1	V830 F834	V830-N832 PolarHBondContact O-N 2.7Å; N832-F834 HydrophobicContact CB-CD2 4.15Å; N832-F834 HydrophobicContact CB-CE2 3.9Å
833	L	29.7	Very low	32.2	Very low	175 Å²	175	121 Å²	121	92%	0.916	69%	0.687	S	S	*	*			trans	-123.2	82.4	149.8	-72.1	176.6	0	0	0	108.6
834	F	31.2	Very low	32.9	Very low	153 Å²	153	118.3 Å²	118.3	67%	0.671	68%	0.684	S	S	*	*			trans	-64.5	146.6	178.5	-71.3	-69.2	0	0	0	111.9	N832	N832-F834 HydrophobicContact CB-CD2 4.15Å; N832-F834 HydrophobicContact CB-CE2 3.9Å
835	S	32.9	Very low	33.5	Very low	74 Å²	74	119.6 Å²	119.6	52%	0.517	68%	0.681	S	S	.	*			trans	-83.3	137.1	-174.1	57.5	0	0	0	0	112.5	S837 L838	S835-S837 PolarHBondContact O-N 3.33Å; S835-L838 PolarHBondContact O-N 3.1Å
836	N	34.5	Very low	33.6	Very low	141 Å²	141	117.4 Å²	117.4	75%	0.754	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-58.2	-18	-178	-68.2	2.9	0	0	0	114.2	L838 V839	N836-L838 PolarHBondContact O-N 2.67Å; N836-V839 PolarHBondContact O-N 2.92Å
837	S	37.6	Very low	33.8	Very low	70 Å²	70	116.3 Å²	116.3	49%	0.49	67%	0.668	S	S	.	*	G	3₁₀ helix	trans	-70.2	-10.5	-179.8	-166.7	0	0	0	0	114.5	S835	S835-S837 PolarHBondContact O-N 3.33Å
838	L	42	Very low	34.1	Very low	58 Å²	58	115.5 Å²	115.5	30%	0.304	67%	0.669	S	S	.	*	G	3₁₀ helix	trans	-89.7	-13.3	174.9	-69.6	170.3	0	0	0	113.1	M498 S835 N836	M498-L838 HydrophobicContact CE-CD2 4.31Å; S835-L838 PolarHBondContact O-N 3.1Å; N836-L838 PolarHBondContact O-N 2.67Å
839	V	43.1	Very low	34.2	Very low	87 Å²	87	116 Å²	116	53%	0.527	66%	0.663	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.7	-37.4	-175.3	-176.5	0	0	0	0	111.8	N836 D841 L842	N836-V839 PolarHBondContact O-N 2.92Å; V839-D841 VanDerWaalsContact C-N 3.34Å; V839-D841 PolarHBondContact O-N 3.25Å; V839-L842 WeakPolarHBondContact O-CB 3.24Å; V839-L842 PolarHBondContact O-N 3.07Å; V839-L842 VanDerWaalsContact O-N 3.08Å
840	T	39.6	Very low	34.2	Very low	91 Å²	91	114.5 Å²	114.5	56%	0.558	66%	0.661	S	S	*	*	H	α-helix	trans	-67	-30.4	-177.8	44.2	0	0	0	0	113.6	L842	T840-L842 PolarHBondContact O-N 3.37Å
841	D	37.6	Very low	34.1	Very low	90 Å²	90	114.4 Å²	114.4	48%	0.481	66%	0.66	S	S	.	*	H	α-helix	trans	-66.9	-13.3	172.9	-92.8	-14.1	0	0	0	113.4	K471 V839	K471-D841 WeakPolarHBondContact CE-OD2 3.24Å; K471-D841 IonicContact NZ-OD1 3.52Å; K471-D841 IonicContact NZ-OD2 2.66Å; K471-D841 PolarHBondContact NZ-OD2 2.92Å; V839-D841 VanDerWaalsContact C-N 3.34Å; V839-D841 PolarHBondContact O-N 3.25Å
842	L	41.9	Very low	34.1	Very low	129 Å²	129	114.6 Å²	114.6	68%	0.675	66%	0.66	S	S	*	*	H	α-helix	trans	-95.3	-23.1	-179.1	-83.5	156.8	0	0	0	114	V839 T840 G844 L845	V839-L842 WeakPolarHBondContact O-CB 3.24Å; V839-L842 PolarHBondContact O-N 3.07Å; V839-L842 VanDerWaalsContact O-N 3.08Å; T840-L842 PolarHBondContact O-N 3.37Å; L842-G844 VanDerWaalsContact C-N 3.26Å; L842-G844 PolarHBondContact O-N 2.88Å; L842-L845 PolarHBondContact O-N 2.82Å
843	E	39.8	Very low	33.8	Very low	141 Å²	141	115.7 Å²	115.7	66%	0.659	67%	0.666	S	S	*	*	H	α-helix	trans	-63.8	-30.8	-173.5	-62.4	-172.3	146.7	0	0	112.7	L845	E843-L845 PolarHBondContact O-N 3.11Å
844	G	39.4	Very low	33.6	Very low	75 Å²	75	113.1 Å²	113.1	77%	0.773	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	4.4	-178.7	0	0	0	0	0	116.6	L842	L842-G844 VanDerWaalsContact C-N 3.26Å; L842-G844 PolarHBondContact O-N 2.88Å
845	L	38.1	Very low	33.1	Very low	136 Å²	136	109.8 Å²	109.8	71%	0.712	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.4	-1.3	-178.5	-72.2	175.6	0	0	0	115.6	L842 E843	L842-L845 PolarHBondContact O-N 2.82Å; E843-L845 PolarHBondContact O-N 3.11Å
846	S	28.5	Very low	32.7	Very low	74 Å²	74	112 Å²	112	52%	0.517	67%	0.671	S	S	.	*			trans	-111.9	117.7	175.1	-173.7	0	0	0	0	111.7
847	L	33.4	Very low	32.4	Very low	170 Å²	170	112.5 Å²	112.5	89%	0.89	67%	0.672	S	S	*	*	S	Bend	trans	-104.3	110.4	160.2	-82.6	175.1	0	0	0	108.1
848	S	30.1	Very low	31.7	Very low	120 Å²	120	114.4 Å²	114.4	84%	0.839	68%	0.68	S	S	*	*	S	Bend	trans	81.7	72.9	178.8	-33.8	0	0	0	0	115.9
849	E	26.9	Very low	31.1	Very low	130 Å²	130	115.1 Å²	115.1	61%	0.607	69%	0.689	S	S	*	*			trans	-142.5	124.9	131	-130.3	171.7	-165.3	0	0	109.9
850	A	26.5	Very low	30.5	Very low	89 Å²	89	116.9 Å²	116.9	74%	0.736	71%	0.705	S	S	*	*			trans	-70.9	138.9	165.4	0	0	0	0	0	107.4	L852	A850-L852 VanDerWaalsContact C-N 3.34Å; A850-L852 PolarHBondContact O-N 3.06Å
851	V	25.1	Very low	30.7	Very low	137 Å²	137	114.2 Å²	114.2	83%	0.83	69%	0.69	S	S	*	*			trans	-61.8	94.7	-175.7	-179	0	0	0	0	110.4	L853	V851-L853 VanDerWaalsContact C-N 3.33Å; V851-L853 PolarHBondContact O-N 2.98Å
852	L	27.3	Very low	31.2	Very low	150 Å²	150	114.6 Å²	114.6	79%	0.785	71%	0.705	S	S	*	*			trans	-66.5	100.8	156.8	-72.1	175.7	0	0	0	106.1	A850	A850-L852 VanDerWaalsContact C-N 3.34Å; A850-L852 PolarHBondContact O-N 3.06Å
853	L	23.9	Very low	32.3	Very low	140 Å²	140	111.8 Å²	111.8	73%	0.733	69%	0.69	S	S	*	*			trans	-41.7	144.7	158.3	-70.8	166.6	0	0	0	108.7	V851 A855	V851-L853 VanDerWaalsContact C-N 3.33Å; V851-L853 PolarHBondContact O-N 2.98Å; L853-A855 PolarHBondContact O-N 3.45Å
854	P	25.5	Very low	34	Very low	121 Å²	121	111.7 Å²	111.7	79%	0.786	69%	0.688	S	S	*	*			trans	-49.1	110.3	178.4	-27.3	34.5	0	0	0	109.5	T856	P854-T856 PolarHBondContact O-N 2.76Å
855	A	22.5	Very low	36.2	Very low	83 Å²	83	111 Å²	111	69%	0.686	67%	0.671	S	S	*	*			trans	-67.6	94.4	174.1	0	0	0	0	0	105.8	L853 I857	L853-A855 PolarHBondContact O-N 3.45Å; A855-I857 PolarHBondContact O-N 2.91Å
856	T	24	Very low	38.6	Very low	121 Å²	121	107.1 Å²	107.1	74%	0.742	65%	0.647	S	S	*	*			trans	-48.7	103.6	145.6	28.5	0	0	0	0	105.1	P854 T858	P854-T856 PolarHBondContact O-N 2.76Å; T856-T858 PolarHBondContact O-N 3.03Å
857	I	27.1	Very low	41.5	Very low	151 Å²	151	109 Å²	109	77%	0.774	65%	0.648	S	S	*	*			trans	-63.6	90.8	168.2	-61.4	174.3	0	0	0	103.9	A855 P859	A855-I857 PolarHBondContact O-N 2.91Å; I857-P859 VanDerWaalsContact O-CD 3.27Å; I857-P859 WeakPolarHBondContact O-CD 3.41Å
858	T	23.9	Very low	44.2	Very low	109 Å²	109	102 Å²	102	67%	0.669	61%	0.611	S	S	*	*			trans	-54.1	115	167.3	41.5	0	0	0	0	104.9	T856 S860	T856-T858 PolarHBondContact O-N 3.03Å; T858-S860 PolarHBondContact O-N 3.18Å
859	P	29.9	Very low	47.1	Very low	74 Å²	74	96.9 Å²	96.9	48%	0.481	57%	0.574	S	S	.	*			trans	-65.8	103.2	-174.2	25.1	-32.7	0	0	0	107.5	I857 S861	I857-P859 VanDerWaalsContact O-CD 3.27Å; I857-P859 WeakPolarHBondContact O-CD 3.41Å; P859-S861 PolarHBondContact O-N 3.3Å; P859-S861 VanDerWaalsContact O-O 3.12Å
860	S	30.4	Very low	50	Low	124 Å²	124	94 Å²	94	87%	0.867	56%	0.561	S	S	*	*			trans	-76.2	4.2	-179.4	56.7	0	0	0	0	112.8	T858 A862	T858-S860 PolarHBondContact O-N 3.18Å; S860-A862 PolarHBondContact O-N 3.25Å
861	S	42.5	Very low	52.9	Low	35 Å²	35	96.7 Å²	96.7	25%	0.245	55%	0.552	C	S	.	*	S	Bend	trans	-60.5	122.9	154.5	52.2	0	0	0	0	109.6	P859 L863	P859-S861 PolarHBondContact O-N 3.3Å; P859-S861 VanDerWaalsContact O-O 3.12Å; S861-L863 PolarHBondContact O-N 3.18Å; S861-L863 VanDerWaalsContact O-N 3.13Å
862	A	48.3	Very low	55.6	Low	97 Å²	97	96.3 Å²	96.3	80%	0.802	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-53.5	121.6	172.6	0	0	0	0	0	110.2	S860 K864	S860-A862 PolarHBondContact O-N 3.25Å; A862-K864 PolarHBondContact O-N 2.83Å
863	L	65.4	Low	58.2	Low	70 Å²	70	93.6 Å²	93.6	37%	0.366	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-58.6	134.2	174.3	-68.3	175.4	0	0	0	108.7	S861 S865 C882	S861-L863 PolarHBondContact O-N 3.18Å; S861-L863 VanDerWaalsContact O-N 3.13Å; L863-S865 PolarHBondContact O-N 3.18Å; L863-S865 VanDerWaalsContact O-N 3.12Å; L863-C882 HydrophobicContact CB-CB 4.31Å
864	K	76.3	Confident	60.9	Low	140 Å²	140	87 Å²	87	61%	0.609	50%	0.5	S	S	*	.			trans	-68.9	113.1	-178	-174.4	170.4	173.9	-179	0	109.1	A862 Y866	A862-K864 PolarHBondContact O-N 2.83Å; K864-Y866 HydrophobicContact CB-CE2 3.93Å; K864-Y866 HydrophobicContact CD-CE2 4.03Å; K864-Y866 HydrophobicContact CG-CD2 4.29Å; K864-Y866 HydrophobicContact CG-CE2 3.73Å; K864-Y866 WeakPolarHBondContact O-CD2 3.26Å; K864-Y866 WeakPolarHBondContact O-CE2 3.3Å
865	S	84	Confident	63.4	Low	59 Å²	59	86.9 Å²	86.9	41%	0.413	49%	0.489	S	S	.	.			trans	-74.4	143.9	168.5	-164	0	0	0	0	110	L863 E880 Y881	L863-S865 PolarHBondContact O-N 3.18Å; L863-S865 VanDerWaalsContact O-N 3.12Å; S865-E880 WeakPolarHBondContact CB-OE2 3.3Å; S865-E880 PolarHBondContact OG-OE2 3.03Å; S865-Y881 CarbonylContact C-O 3.6Å
866	Y	88.3	Confident	66.2	Low	56 Å²	56	83.5 Å²	83.5	22%	0.22	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	133.2	177	-68.1	-102.9	0	0	0	108.1	K864 E880 Y881 F883	K864-Y866 HydrophobicContact CB-CE2 3.93Å; K864-Y866 HydrophobicContact CD-CE2 4.03Å; K864-Y866 HydrophobicContact CG-CD2 4.29Å; K864-Y866 HydrophobicContact CG-CE2 3.73Å; K864-Y866 WeakPolarHBondContact O-CD2 3.26Å; K864-Y866 WeakPolarHBondContact O-CE2 3.3Å; Y866-E880 CarbonylContact O-C 3.51Å; Y866-E880 WeakPolarHBondContact O-CA 3.32Å; Y866-Y881 VanDerWaalsContact CB-CZ 3.47Å; Y866-Y881 HydrophobicContact CD2-CE2 4.48Å; Y866-Y881 HydrophobicContact CG-CE1 4.37Å; Y866-Y881 HydrophobicContact CG-CE2 4.26Å; Y866-Y881 PolarHBondContact N-O 2.84Å; Y866-Y881 WeakPolarHBondContact O-CD1 3.29Å; Y866-Y881 PolarHBondContact O-N 3.23Å; Y866-F883 HydrophobicContact CD2-CE2 4.44Å; Y866-F883 HydrophobicContact CE2-CD2 4.13Å; Y866-F883 HydrophobicContact CE2-CE2 4.17Å
867	E	90.5	Very high	69.2	Low	112 Å²	112	78 Å²	78	52%	0.523	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	128.4	173.9	-173.9	163.9	-131.6	0	0	110.2	H870	E867-H870 HydrophobicContact CG-CB 4.47Å; E867-H870 WeakPolarHBondContact OE1-CA 3.46Å; E867-H870 WeakPolarHBondContact OE1-CB 3.44Å; E867-H870 IonicContact OE1-CD2 2.67Å; E867-H870 PolarHBondContact OE1-CD2 3.31Å; E867-H870 IonicContact OE1-CG 2.68Å; E867-H870 IonicContact OE2-CD2 2.65Å
868	L	90.1	Very high	72.3	Confident	24 Å²	24	71.3 Å²	71.3	13%	0.126	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-34.2	176.3	-169.2	63.7	0	0	0	112.1	V879 Y881 M899 F957 L959 V968 S969 I970	L868-V879 WeakPolarHBondContact CA-O 2.98Å; L868-V879 HydrophobicContact CB-CB 4.34Å; L868-V879 HydrophobicContact CB-CG1 4.31Å; L868-V879 WeakPolarHBondContact CB-O 3.21Å; L868-V879 HydrophobicContact CD2-CG1 4.22Å; L868-V879 PolarHBondContact N-O 3.34Å; L868-Y881 HydrophobicContact CB-CD1 3.76Å; L868-Y881 HydrophobicContact CB-CE1 3.99Å; L868-Y881 HydrophobicContact CD1-CD1 4.35Å; L868-Y881 HydrophobicContact CD1-CE1 3.97Å; L868-Y881 HydrophobicContact CG-CD1 4.46Å; L868-M899 HydrophobicContact CD2-CE 3.54Å; L868-F957 HydrophobicContact CD2-CZ 4.17Å; L868-L959 HydrophobicContact CD2-CD1 4.32Å; L868-V968 HydrophobicContact CD1-CB 3.89Å; L868-V968 HydrophobicContact CD1-CG1 4.48Å; L868-V968 HydrophobicContact CD2-CB 4.18Å; L868-V968 HydrophobicContact CD2-CG1 4.47Å; L868-V968 HydrophobicContact CD2-CG2 4.17Å; L868-V968 HydrophobicContact CG-CB 3.82Å; L868-V968 HydrophobicContact CG-CG1 3.97Å; L868-V968 HydrophobicContact CG-CG2 4.36Å; L868-S969 WeakPolarHBondContact CD1-O 3.36Å; L868-I970 HydrophobicContact CD1-CD1 4.42Å; L868-I970 HydrophobicContact CD1-CG1 3.65Å; L868-I970 HydrophobicContact CD2-CD1 4.16Å; L868-I970 HydrophobicContact CD2-CG1 4.27Å
869	L	90.2	Very high	75.6	Confident	12 Å²	12	66.1 Å²	66.1	6%	0.063	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	114.7	177.9	-174.4	65.7	0	0	0	109.3	L877 S878 V879 F966	L869-L877 HydrophobicContact CD2-CD2 4.31Å; L869-L877 HydrophobicContact CD2-CG 4.42Å; L869-S878 CarbonylContact O-C 3.59Å; L869-S878 WeakPolarHBondContact O-CA 3.46Å; L869-S878 WeakPolarHBondContact O-CB 3.48Å; L869-V879 HydrophobicContact CB-CB 3.98Å; L869-V879 HydrophobicContact CB-CG2 4.02Å; L869-V879 HydrophobicContact CD2-CG2 4.19Å; L869-V879 PolarHBondContact N-O 3.34Å; L869-V879 VanDerWaalsContact N-O 3.09Å; L869-V879 PolarHBondContact O-N 2.99Å; L869-F966 HydrophobicContact CD1-CB 4.26Å; L869-F966 HydrophobicContact CD1-CD1 4.31Å; L869-F966 HydrophobicContact CD1-CG 4.41Å; L869-F966 HydrophobicContact CD2-CB 4.11Å; L869-F966 HydrophobicContact CD2-CD1 4.23Å; L869-F966 HydrophobicContact CD2-CD2 4.01Å; L869-F966 HydrophobicContact CD2-CE2 4.48Å; L869-F966 HydrophobicContact CD2-CG 3.86Å
870	H	89.3	Confident	78.5	Confident	71 Å²	71	66.5 Å²	66.5	33%	0.329	36%	0.358	S	S	.	.			trans	-77.8	146.7	178.2	178.6	-108.6	0	0	0	111.5	E867 I872 T873 G874	E867-H870 HydrophobicContact CG-CB 4.47Å; E867-H870 WeakPolarHBondContact OE1-CA 3.46Å; E867-H870 WeakPolarHBondContact OE1-CB 3.44Å; E867-H870 IonicContact OE1-CD2 2.67Å; E867-H870 PolarHBondContact OE1-CD2 3.31Å; E867-H870 IonicContact OE1-CG 2.68Å; E867-H870 IonicContact OE2-CD2 2.65Å; H870-I872 PolarHBondContact ND1-N 3.37Å; H870-I872 PolarHBondContact O-N 2.85Å; H870-T873 PolarHBondContact N-OG1 2.98Å; H870-T873 PolarHBondContact O-N 2.78Å; H870-T873 PolarHBondContact O-OG1 2.87Å; H870-T873 VanDerWaalsContact O-OG1 3.06Å; H870-G874 PolarHBondContact O-N 3.4Å
871	R	85.8	Confident	81.5	Confident	144 Å²	144	61.4 Å²	61.4	54%	0.543	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-26.6	-174.7	73	-175.9	72.9	-153.3	-1.9	115.1	E875 G876	R871-E875 PolarHBondContact O-N 3.16Å; R871-G876 PolarHBondContact O-N 3.32Å
872	I	82.2	Confident	83.9	Confident	130 Å²	130	60.8 Å²	60.8	67%	0.667	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-41	177.3	-61.5	178.7	0	0	0	111.2	H870 E875	H870-I872 PolarHBondContact ND1-N 3.37Å; H870-I872 PolarHBondContact O-N 2.85Å; I872-E875 PolarHBondContact O-N 2.87Å
873	T	82.9	Confident	85.9	Confident	92 Å²	92	56.3 Å²	56.3	56%	0.564	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-23.9	-179.2	49.8	0	0	0	0	112.8	H870	H870-T873 PolarHBondContact N-OG1 2.98Å; H870-T873 PolarHBondContact O-N 2.78Å; H870-T873 PolarHBondContact O-OG1 2.87Å; H870-T873 VanDerWaalsContact O-OG1 3.06Å
874	G	79.8	Confident	86.8	Confident	3 Å²	3	53.8 Å²	53.8	3%	0.031	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	8.7	168.3	0	0	0	0	0	115.3	H870 G876 L877	H870-G874 PolarHBondContact O-N 3.4Å; G874-G876 VanDerWaalsContact C-N 3.27Å; G874-G876 PolarHBondContact O-N 3.39Å; G874-L877 VanDerWaalsContact CA-O 3.31Å; G874-L877 WeakPolarHBondContact CA-O 3.42Å; G874-L877 PolarHBondContact O-N 3.38Å
875	E	78.9	Confident	87.2	Confident	118 Å²	118	49.4 Å²	49.4	55%	0.551	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.3	45.9	-178.8	-69.1	-171.5	-125	0	0	114.3	R871 I872 R964	R871-E875 PolarHBondContact O-N 3.16Å; I872-E875 PolarHBondContact O-N 2.87Å; E875-R964 VanDerWaalsContact CD-NH2 3.32Å; E875-R964 IonicContact OE1-CZ 2.65Å; E875-R964 IonicContact OE1-NH1 2.68Å; E875-R964 PolarHBondContact OE1-NH1 3.21Å; E875-R964 IonicContact OE1-NH2 2.68Å; E875-R964 PolarHBondContact OE1-NH2 3.38Å; E875-R964 IonicContact OE2-CZ 3.04Å; E875-R964 VanDerWaalsContact OE2-CZ 3.3Å; E875-R964 IonicContact OE2-NH1 2.65Å; E875-R964 PolarHBondContact OE2-NH1 2.89Å; E875-R964 IonicContact OE2-NH2 2.73Å; E875-R964 PolarHBondContact OE2-NH2 2.88Å
876	G	80.4	Confident	87	Confident	11 Å²	11	53.5 Å²	53.5	11%	0.113	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	107.5	-27.1	-178.9	0	0	0	0	0	113.8	R871 G874 S904	R871-G876 PolarHBondContact O-N 3.32Å; G874-G876 VanDerWaalsContact C-N 3.27Å; G874-G876 PolarHBondContact O-N 3.39Å; G876-S904 WeakPolarHBondContact O-CA 3.28Å; G876-S904 WeakPolarHBondContact O-CB 3.37Å; G876-S904 PolarHBondContact O-N 2.67Å
877	L	88	Confident	86.5	Confident	6 Å²	6	55.8 Å²	55.8	3%	0.031	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	128.5	166.1	-176	64.9	0	0	0	109.2	L869 G874 V879 L912 L934 T961 F966	L869-L877 HydrophobicContact CD2-CD2 4.31Å; L869-L877 HydrophobicContact CD2-CG 4.42Å; G874-L877 VanDerWaalsContact CA-O 3.31Å; G874-L877 WeakPolarHBondContact CA-O 3.42Å; G874-L877 PolarHBondContact O-N 3.38Å; L877-V879 HydrophobicContact CD2-CG2 4.46Å; L877-V879 HydrophobicContact CG-CG2 4.21Å; L877-L912 HydrophobicContact CD1-CD2 4.35Å; L877-L912 HydrophobicContact CD2-CD1 4.26Å; L877-L912 HydrophobicContact CD2-CD2 4.21Å; L877-L934 HydrophobicContact CD1-CD2 4.11Å; L877-T961 HydrophobicContact CD2-CG2 4.31Å; L877-F966 HydrophobicContact CD2-CE2 4.16Å
878	S	91.3	Very high	86	Confident	10 Å²	10	51.3 Å²	51.3	7%	0.07	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	146.6	165.1	58	0	0	0	0	110.9	L869 T902	L869-S878 CarbonylContact O-C 3.59Å; L869-S878 WeakPolarHBondContact O-CA 3.46Å; L869-S878 WeakPolarHBondContact O-CB 3.48Å; S878-T902 PolarHBondContact N-O 2.66Å; S878-T902 PolarHBondContact O-N 3.05Å
879	V	92.4	Very high	85.2	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	121.1	-176.4	-171.2	0	0	0	0	109.7	L868 L869 L877 M899 Q900 F901 L959	L868-V879 WeakPolarHBondContact CA-O 2.98Å; L868-V879 HydrophobicContact CB-CB 4.34Å; L868-V879 HydrophobicContact CB-CG1 4.31Å; L868-V879 WeakPolarHBondContact CB-O 3.21Å; L868-V879 HydrophobicContact CD2-CG1 4.22Å; L868-V879 PolarHBondContact N-O 3.34Å; L869-V879 HydrophobicContact CB-CB 3.98Å; L869-V879 HydrophobicContact CB-CG2 4.02Å; L869-V879 HydrophobicContact CD2-CG2 4.19Å; L869-V879 PolarHBondContact N-O 3.34Å; L869-V879 VanDerWaalsContact N-O 3.09Å; L869-V879 PolarHBondContact O-N 2.99Å; L877-V879 HydrophobicContact CD2-CG2 4.46Å; L877-V879 HydrophobicContact CG-CG2 4.21Å; V879-M899 HydrophobicContact CG1-CE 3.9Å; V879-Q900 WeakPolarHBondContact CA-O 3.41Å; V879-F901 HydrophobicContact CB-CD1 4.26Å; V879-F901 HydrophobicContact CG1-CD1 3.68Å; V879-F901 HydrophobicContact CG1-CE1 3.71Å; V879-F901 HydrophobicContact CG1-CG 4.48Å; V879-F901 HydrophobicContact CG2-CD1 3.58Å; V879-F901 HydrophobicContact CG2-CE1 4.14Å; V879-L959 HydrophobicContact CG1-CD1 4.43Å; V879-L959 HydrophobicContact CG2-CD1 4.1Å
880	E	92.7	Very high	84.6	Confident	82 Å²	82	58.9 Å²	58.9	38%	0.383	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	157.9	169.9	-73.6	-175.6	-131.3	0	0	110.1	S865 Y866 M899 Q900	S865-E880 WeakPolarHBondContact CB-OE2 3.3Å; S865-E880 PolarHBondContact OG-OE2 3.03Å; Y866-E880 CarbonylContact O-C 3.51Å; Y866-E880 WeakPolarHBondContact O-CA 3.32Å; E880-M899 CarbonylContact O-C 3.6Å; E880-M899 WeakPolarHBondContact O-CA 3.37Å; E880-Q900 PolarHBondContact N-O 3.44Å; E880-Q900 PolarHBondContact O-N 3.46Å
881	Y	92.9	Very high	84.2	Confident	18 Å²	18	57.6 Å²	57.6	7%	0.071	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	154.2	173.6	71.9	-76.2	0	0	0	112.6	S865 Y866 L868 F883 V897 Q898 I970	S865-Y881 CarbonylContact C-O 3.6Å; Y866-Y881 VanDerWaalsContact CB-CZ 3.47Å; Y866-Y881 HydrophobicContact CD2-CE2 4.48Å; Y866-Y881 HydrophobicContact CG-CE1 4.37Å; Y866-Y881 HydrophobicContact CG-CE2 4.26Å; Y866-Y881 PolarHBondContact N-O 2.84Å; Y866-Y881 WeakPolarHBondContact O-CD1 3.29Å; Y866-Y881 PolarHBondContact O-N 3.23Å; L868-Y881 HydrophobicContact CB-CD1 3.76Å; L868-Y881 HydrophobicContact CB-CE1 3.99Å; L868-Y881 HydrophobicContact CD1-CD1 4.35Å; L868-Y881 HydrophobicContact CD1-CE1 3.97Å; L868-Y881 HydrophobicContact CG-CD1 4.46Å; Y881-F883 HydrophobicContact CD2-CE2 4.42Å; Y881-F883 AromaticContact CE2-CE2 3.84Å; Y881-F883 HydrophobicContact CE2-CE2 3.84Å; Y881-F883 AromaticContact CE2-CZ 3.93Å; Y881-F883 HydrophobicContact CE2-CZ 3.93Å; Y881-V897 HydrophobicContact CD2-CG1 3.75Å; Y881-V897 HydrophobicContact CG-CG1 4.27Å; Y881-Q898 CarbonylContact C-O 3.53Å; Y881-Q898 WeakPolarHBondContact CA-O 3.4Å; Y881-Q898 WeakPolarHBondContact CB-O 3.29Å; Y881-I970 HydrophobicContact CD2-CD1 4.3Å; Y881-I970 HydrophobicContact CD2-CG2 4.4Å; Y881-I970 HydrophobicContact CE1-CG1 4.45Å; Y881-I970 HydrophobicContact CE2-CD1 4.43Å; Y881-I970 HydrophobicContact CE2-CG1 4.24Å; Y881-I970 HydrophobicContact CE2-CG2 3.72Å; Y881-I970 HydrophobicContact CG-CD1 4.49Å
882	C	91.4	Very high	83.9	Confident	22 Å²	22	53.8 Å²	53.8	15%	0.149	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	150.7	170.3	62.4	0	0	0	0	110.9	L863 S884 Q898	L863-C882 HydrophobicContact CB-CB 4.31Å; C882-S884 PolarHBondContact O-N 3.43Å; C882-Q898 PolarHBondContact N-O 3.23Å; C882-Q898 PolarHBondContact O-N 2.9Å
883	F	90.6	Very high	84	Confident	3 Å²	3	50.7 Å²	50.7	1%	0.013	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	114	171	-62.7	-84.5	0	0	0	107.8	Y866 Y881 R885 V895 V897 F948 I970 P973 E976	Y866-F883 HydrophobicContact CD2-CE2 4.44Å; Y866-F883 HydrophobicContact CE2-CD2 4.13Å; Y866-F883 HydrophobicContact CE2-CE2 4.17Å; Y881-F883 HydrophobicContact CD2-CE2 4.42Å; Y881-F883 AromaticContact CE2-CE2 3.84Å; Y881-F883 HydrophobicContact CE2-CE2 3.84Å; Y881-F883 AromaticContact CE2-CZ 3.93Å; Y881-F883 HydrophobicContact CE2-CZ 3.93Å; F883-R885 PolarHBondContact O-N 3.05Å; F883-V895 HydrophobicContact CD1-CG1 3.77Å; F883-V895 HydrophobicContact CE1-CG1 4.34Å; F883-V897 HydrophobicContact CD1-CG2 3.91Å; F883-V897 HydrophobicContact CE1-CG2 3.82Å; F883-F948 HydrophobicContact CE1-CE2 4.46Å; F883-I970 HydrophobicContact CZ-CG2 4.17Å; F883-P973 HydrophobicContact CE2-CG 4.33Å; F883-E976 HydrophobicContact CB-CB 4.09Å; F883-E976 HydrophobicContact CB-CG 3.82Å; F883-E976 HydrophobicContact CD1-CB 4.01Å; F883-E976 HydrophobicContact CD1-CG 4.42Å; F883-E976 HydrophobicContact CD2-CB 4.29Å; F883-E976 HydrophobicContact CD2-CG 3.85Å; F883-E976 HydrophobicContact CG-CB 3.86Å; F883-E976 HydrophobicContact CG-CG 3.76Å
884	S	84.5	Confident	84.3	Confident	16 Å²	16	47.1 Å²	47.1	11%	0.112	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	-14.9	-170.1	65.6	0	0	0	0	114	C882 Q886 A896	C882-S884 PolarHBondContact O-N 3.43Å; S884-Q886 PolarHBondContact O-N 3.21Å; S884-A896 WeakPolarHBondContact CB-O 3.36Å; S884-A896 PolarHBondContact N-O 3.08Å; S884-A896 VanDerWaalsContact OG-CB 3.24Å; S884-A896 WeakPolarHBondContact OG-CB 3.18Å; S884-A896 PolarHBondContact OG-O 3.34Å
885	R	84.8	Confident	84.7	Confident	49 Å²	49	47.7 Å²	47.7	19%	0.185	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	55.4	6.6	-173	-64.9	179.9	176.9	-169.1	6.2	115.7	F883 E976 T1022 T1023 N1026	F883-R885 PolarHBondContact O-N 3.05Å; R885-E976 WeakPolarHBondContact CG-OE2 3.49Å; R885-E976 IonicContact CZ-OE1 3.52Å; R885-E976 VanDerWaalsContact CZ-OE1 3.24Å; R885-E976 IonicContact CZ-OE2 3.19Å; R885-E976 VanDerWaalsContact NE-CD 3.28Å; R885-E976 IonicContact NE-OE1 2.85Å; R885-E976 PolarHBondContact NE-OE1 3.44Å; R885-E976 IonicContact NE-OE2 3.55Å; R885-E976 PolarHBondContact NE-OE2 2.97Å; R885-E976 IonicContact NH2-OE1 3.2Å; R885-E976 PolarHBondContact NH2-OE1 3.17Å; R885-E976 IonicContact NH2-OE2 2.65Å; R885-T1022 PolarHBondContact NH1-O 2.8Å; R885-T1023 PolarHBondContact NH2-O 3.37Å; R885-N1026 HydrophobicContact CG-CB 4.29Å
886	Q	79.9	Confident	85.3	Confident	144 Å²	144	42.3 Å²	42.3	67%	0.673	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	149.5	172.5	-64.8	-176.5	15.1	0	0	110.4	S884 F888 A896	S884-Q886 PolarHBondContact O-N 3.21Å; Q886-F888 PolarHBondContact O-N 3.41Å; Q886-A896 WeakPolarHBondContact O-CB 3.23Å
887	P	77.1	Confident	85.8	Confident	104 Å²	104	41.8 Å²	41.8	68%	0.675	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.8	128.2	173.8	27.4	-34	0	0	0	110.2	S889	P887-S889 PolarHBondContact O-N 2.78Å
888	F	81.5	Confident	86	Confident	18 Å²	18	45 Å²	45	8%	0.079	26%	0.257	C	S	.	.			trans	-67	107.2	178.7	-175	-118.1	0	0	0	110	Q886 P890 D891 M894 A896 K926 V943	Q886-F888 PolarHBondContact O-N 3.41Å; F888-P890 VanDerWaalsContact C-N 3.27Å; F888-P890 HydrophobicContact CD1-CB 4.29Å; F888-P890 HydrophobicContact CD1-CG 4.27Å; F888-P890 HydrophobicContact CE1-CB 3.85Å; F888-P890 HydrophobicContact CE1-CG 3.81Å; F888-P890 HydrophobicContact CE2-CG 4.2Å; F888-P890 HydrophobicContact CZ-CB 4.27Å; F888-P890 HydrophobicContact CZ-CG 3.76Å; F888-P890 VanDerWaalsContact O-N 3.07Å; F888-D891 HydrophobicContact CD1-CB 4.42Å; F888-D891 CarbonylContact O-C 3.59Å; F888-D891 PolarHBondContact O-N 3.46Å; F888-M894 HydrophobicContact CB-CB 4.2Å; F888-M894 WeakPolarHBondContact CB-O 3.34Å; F888-M894 HydrophobicContact CD1-CB 3.73Å; F888-M894 HydrophobicContact CD1-CG 4.32Å; F888-M894 HydrophobicContact CD1-SD 4.04Å; F888-M894 HydrophobicContact CE1-CB 4.47Å; F888-M894 HydrophobicContact CE1-SD 3.91Å; F888-M894 HydrophobicContact CG-CB 4.26Å; F888-A896 HydrophobicContact CB-CB 3.94Å; F888-A896 HydrophobicContact CD2-CB 4.05Å; F888-A896 HydrophobicContact CG-CB 4.45Å; F888-K926 HydrophobicContact CE1-CB 3.96Å; F888-K926 HydrophobicContact CE1-CD 3.98Å; F888-K926 HydrophobicContact CE1-CG 4.11Å; F888-K926 HydrophobicContact CZ-CB 4.08Å; F888-K926 HydrophobicContact CZ-CD 4.31Å; F888-K926 HydrophobicContact CZ-CG 4.05Å; F888-V943 HydrophobicContact CD2-CG1 4.33Å; F888-V943 HydrophobicContact CE2-CG1 4.29Å
889	S	73.2	Confident	86	Confident	123 Å²	123	44.5 Å²	44.5	86%	0.86	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-30.8	-170	-38.3	0	0	0	0	115.5	P887	P887-S889 PolarHBondContact O-N 2.78Å
890	P	76.8	Confident	86	Confident	72 Å²	72	48.2 Å²	48.2	47%	0.468	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-15.3	175.4	-17.5	32.2	0	0	0	116.8	F888 K926	F888-P890 VanDerWaalsContact C-N 3.27Å; F888-P890 HydrophobicContact CD1-CB 4.29Å; F888-P890 HydrophobicContact CD1-CG 4.27Å; F888-P890 HydrophobicContact CE1-CB 3.85Å; F888-P890 HydrophobicContact CE1-CG 3.81Å; F888-P890 HydrophobicContact CE2-CG 4.2Å; F888-P890 HydrophobicContact CZ-CB 4.27Å; F888-P890 HydrophobicContact CZ-CG 3.76Å; F888-P890 VanDerWaalsContact O-N 3.07Å; P890-K926 HydrophobicContact CB-CD 4.17Å; P890-K926 VanDerWaalsContact CB-NZ 3.34Å
891	D	80.4	Confident	86	Confident	45 Å²	45	44.3 Å²	44.3	24%	0.241	25%	0.253	C	S	.	.			trans	-164.8	114.8	173.9	-173.4	-19.6	0	0	0	109.7	F888 N893 M894	F888-D891 HydrophobicContact CD1-CB 4.42Å; F888-D891 CarbonylContact O-C 3.59Å; F888-D891 PolarHBondContact O-N 3.46Å; D891-N893 PolarHBondContact O-N 2.67Å; D891-N893 VanDerWaalsContact O-N 3.15Å; D891-N893 PolarHBondContact OD1-N 2.94Å; D891-M894 HydrophobicContact CB-CE 4.31Å; D891-M894 HydrophobicContact CB-CG 3.94Å; D891-M894 HydrophobicContact CB-SD 4.08Å; D891-M894 PolarHBondContact O-N 3.31Å
892	A	79.6	Confident	85.8	Confident	63 Å²	63	45 Å²	45	52%	0.521	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-9.6	-175.8	0	0	0	0	0	114.7
893	N	84.5	Confident	85.8	Confident	65 Å²	65	43.9 Å²	43.9	35%	0.348	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	14.1	176.6	-58.8	-26.6	0	0	0	112.5	D891	D891-N893 PolarHBondContact O-N 2.67Å; D891-N893 VanDerWaalsContact O-N 3.15Å; D891-N893 PolarHBondContact OD1-N 2.94Å
894	M	89	Confident	85.6	Confident	17 Å²	17	46.6 Å²	46.6	8%	0.084	27%	0.271	C	S	.	.	S	Bend	trans	-112.8	144.2	173.6	-62.9	-169.9	175.8	0	0	111.9	F888 D891 R924 K926 D947	F888-M894 HydrophobicContact CB-CB 4.2Å; F888-M894 WeakPolarHBondContact CB-O 3.34Å; F888-M894 HydrophobicContact CD1-CB 3.73Å; F888-M894 HydrophobicContact CD1-CG 4.32Å; F888-M894 HydrophobicContact CD1-SD 4.04Å; F888-M894 HydrophobicContact CE1-CB 4.47Å; F888-M894 HydrophobicContact CE1-SD 3.91Å; F888-M894 HydrophobicContact CG-CB 4.26Å; D891-M894 HydrophobicContact CB-CE 4.31Å; D891-M894 HydrophobicContact CB-CG 3.94Å; D891-M894 HydrophobicContact CB-SD 4.08Å; D891-M894 PolarHBondContact O-N 3.31Å; M894-R924 HydrophobicContact CE-CB 4.23Å; M894-K926 HydrophobicContact SD-CB 3.99Å; M894-D947 HydrophobicContact CE-CB 4.41Å; M894-D947 HydrophobicContact CG-CB 4.13Å
895	V	88.9	Confident	85.5	Confident	15 Å²	15	47.2 Å²	47.2	9%	0.091	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	124	172.5	-176.9	0	0	0	0	109.2	F883 V897 I946 F948 L977 V1045	F883-V895 HydrophobicContact CD1-CG1 3.77Å; F883-V895 HydrophobicContact CE1-CG1 4.34Å; V895-V897 PolarHBondContact O-N 2.93Å; V895-I946 PolarHBondContact N-O 3.15Å; V895-I946 PolarHBondContact O-N 3.06Å; V895-F948 HydrophobicContact CB-CD2 4.36Å; V895-F948 HydrophobicContact CB-CE2 4.2Å; V895-F948 HydrophobicContact CG2-CD2 4.1Å; V895-F948 HydrophobicContact CG2-CE2 4.38Å; V895-L977 HydrophobicContact CG2-CD2 4.34Å; V895-V1045 HydrophobicContact CG2-CB 4.27Å; V895-V1045 HydrophobicContact CG2-CG1 4.09Å; V895-V1045 HydrophobicContact CG2-CG2 4.33Å
896	A	90.7	Very high	85.2	Confident	6 Å²	6	50 Å²	50	5%	0.05	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	104.7	179.1	0	0	0	0	0	111.7	S884 Q886 F888 V943	S884-A896 WeakPolarHBondContact CB-O 3.36Å; S884-A896 PolarHBondContact N-O 3.08Å; S884-A896 VanDerWaalsContact OG-CB 3.24Å; S884-A896 WeakPolarHBondContact OG-CB 3.18Å; S884-A896 PolarHBondContact OG-O 3.34Å; Q886-A896 WeakPolarHBondContact O-CB 3.23Å; F888-A896 HydrophobicContact CB-CB 3.94Å; F888-A896 HydrophobicContact CD2-CB 4.05Å; F888-A896 HydrophobicContact CG-CB 4.45Å; A896-V943 HydrophobicContact CB-CG1 4.32Å
897	V	91.6	Very high	85.2	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	119.8	174.5	-178.5	0	0	0	0	109.4	Y881 F883 V895 M899 V943 M944 I946 I970	Y881-V897 HydrophobicContact CD2-CG1 3.75Å; Y881-V897 HydrophobicContact CG-CG1 4.27Å; F883-V897 HydrophobicContact CD1-CG2 3.91Å; F883-V897 HydrophobicContact CE1-CG2 3.82Å; V895-V897 PolarHBondContact O-N 2.93Å; V897-M899 HydrophobicContact CG1-CG 4.25Å; V897-V943 WeakPolarHBondContact O-CA 3.4Å; V897-M944 PolarHBondContact N-O 3Å; V897-M944 PolarHBondContact O-N 2.95Å; V897-I946 HydrophobicContact CG2-CD1 4.01Å; V897-I946 HydrophobicContact CG2-CG1 4.36Å; V897-I970 HydrophobicContact CG1-CD1 4.26Å
898	Q	92	Very high	85.6	Confident	72 Å²	72	45.3 Å²	45.3	34%	0.336	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	129.9	171.8	-179.5	174.3	-7.1	0	0	109.1	Y881 C882 V943	Y881-Q898 CarbonylContact C-O 3.53Å; Y881-Q898 WeakPolarHBondContact CA-O 3.4Å; Y881-Q898 WeakPolarHBondContact CB-O 3.29Å; C882-Q898 PolarHBondContact N-O 3.23Å; C882-Q898 PolarHBondContact O-N 2.9Å; Q898-V943 HydrophobicContact CB-CG2 4.36Å; Q898-V943 HydrophobicContact CG-CG2 4.34Å
899	M	91.6	Very high	85.6	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136.7	-179.3	-58.8	178.3	69.2	0	0	109.7	L868 V879 E880 V897 F901 F928 T941 A942 M944 L959	L868-M899 HydrophobicContact CD2-CE 3.54Å; V879-M899 HydrophobicContact CG1-CE 3.9Å; E880-M899 CarbonylContact O-C 3.6Å; E880-M899 WeakPolarHBondContact O-CA 3.37Å; V897-M899 HydrophobicContact CG1-CG 4.25Å; M899-F901 HydrophobicContact CB-CE2 3.74Å; M899-F901 HydrophobicContact CB-CZ 3.72Å; M899-F901 HydrophobicContact CE-CE1 3.87Å; M899-F901 HydrophobicContact CE-CZ 3.74Å; M899-F901 HydrophobicContact SD-CZ 4.09Å; M899-F928 HydrophobicContact CE-CE1 4.46Å; M899-F928 HydrophobicContact SD-CD1 3.99Å; M899-F928 HydrophobicContact SD-CE1 4.16Å; M899-T941 CarbonylContact O-C 3.57Å; M899-T941 VanDerWaalsContact O-CA 3.26Å; M899-T941 WeakPolarHBondContact O-CA 3.21Å; M899-A942 PolarHBondContact N-O 3.43Å; M899-A942 PolarHBondContact O-N 2.95Å; M899-M944 HydrophobicContact SD-CB 4.33Å; M899-M944 HydrophobicContact SD-CE 3.9Å; M899-M944 HydrophobicContact SD-SD 4.31Å; M899-L959 HydrophobicContact CE-CD1 4.41Å; M899-L959 HydrophobicContact CE-CD2 4.35Å
900	Q	92.3	Very high	86.2	Confident	79 Å²	79	44.3 Å²	44.3	37%	0.369	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	116.7	174.4	-176	170.2	0.6	0	0	109.4	V879 E880 T941	V879-Q900 WeakPolarHBondContact CA-O 3.41Å; E880-Q900 PolarHBondContact N-O 3.44Å; E880-Q900 PolarHBondContact O-N 3.46Å; Q900-T941 HydrophobicContact CB-CG2 4.14Å; Q900-T941 HydrophobicContact CG-CG2 4.03Å
901	F	92.2	Very high	86.5	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.6	179.9	-51.7	-89.5	0	0	0	108.7	V879 M899 L912 F928 I931 L934 T939 A940 A942 L959	V879-F901 HydrophobicContact CB-CD1 4.26Å; V879-F901 HydrophobicContact CG1-CD1 3.68Å; V879-F901 HydrophobicContact CG1-CE1 3.71Å; V879-F901 HydrophobicContact CG1-CG 4.48Å; V879-F901 HydrophobicContact CG2-CD1 3.58Å; V879-F901 HydrophobicContact CG2-CE1 4.14Å; M899-F901 HydrophobicContact CB-CE2 3.74Å; M899-F901 HydrophobicContact CB-CZ 3.72Å; M899-F901 HydrophobicContact CE-CE1 3.87Å; M899-F901 HydrophobicContact CE-CZ 3.74Å; M899-F901 HydrophobicContact SD-CZ 4.09Å; F901-L912 HydrophobicContact CB-CD2 4.12Å; F901-L912 HydrophobicContact CD1-CD2 3.47Å; F901-L912 VanDerWaalsContact CD1-CD2 3.47Å; F901-L912 HydrophobicContact CD1-CG 4.42Å; F901-L912 HydrophobicContact CE1-CD2 3.99Å; F901-L912 HydrophobicContact CE1-CG 4.49Å; F901-L912 HydrophobicContact CG-CD2 3.84Å; F901-F928 HydrophobicContact CE1-CE2 4.49Å; F901-F928 HydrophobicContact CE1-CZ 4.11Å; F901-F928 HydrophobicContact CE2-CD2 4.44Å; F901-F928 HydrophobicContact CE2-CE2 4.24Å; F901-F928 HydrophobicContact CZ-CD1 4.42Å; F901-F928 HydrophobicContact CZ-CD2 4.24Å; F901-F928 AromaticContact CZ-CE1 3.97Å; F901-F928 HydrophobicContact CZ-CE1 3.97Å; F901-F928 AromaticContact CZ-CE2 3.77Å; F901-F928 HydrophobicContact CZ-CE2 3.77Å; F901-F928 AromaticContact CZ-CZ 3.62Å; F901-F928 HydrophobicContact CZ-CZ 3.62Å; F901-I931 HydrophobicContact CD2-CD1 3.53Å; F901-I931 HydrophobicContact CE2-CD1 3.81Å; F901-I931 HydrophobicContact CG-CD1 4.21Å; F901-L934 HydrophobicContact CB-CD2 3.96Å; F901-T939 CarbonylContact O-C 3.6Å; F901-T939 WeakPolarHBondContact O-CA 3.44Å; F901-A940 PolarHBondContact N-O 2.86Å; F901-A940 PolarHBondContact O-N 3.1Å; F901-A942 HydrophobicContact CE2-CB 3.98Å; F901-L959 HydrophobicContact CE1-CD1 4.37Å; F901-L959 HydrophobicContact CE1-CD2 4.25Å
902	T	90.4	Very high	86.9	Confident	31 Å²	31	39.5 Å²	39.5	19%	0.19	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	120	-176.9	-64.7	0	0	0	0	109.2	S878 T939	S878-T902 PolarHBondContact N-O 2.66Å; S878-T902 PolarHBondContact O-N 3.05Å; T902-T939 HydrophobicContact CG2-CG2 3.91Å; T902-T939 VanDerWaalsContact OG1-CG2 3.29Å; T902-T939 WeakPolarHBondContact OG1-CG2 3.28Å
903	N	90.6	Very high	87.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	97.4	177.7	-178.9	9.1	0	0	0	110.4	S905 S907 T909 L934 P935 G937 E938	N903-S905 VanDerWaalsContact C-N 3.33Å; N903-S905 VanDerWaalsContact OD1-CB 3.31Å; N903-S905 WeakPolarHBondContact OD1-CB 3.4Å; N903-S905 PolarHBondContact OD1-N 3.47Å; N903-S905 PolarHBondContact OD1-OG 3.01Å; N903-S907 PolarHBondContact ND2-O 3.3Å; N903-T909 PolarHBondContact ND2-N 3.35Å; N903-T909 PolarHBondContact ND2-OG1 2.96Å; N903-L934 HydrophobicContact CB-CD2 3.89Å; N903-L934 HydrophobicContact CB-CG 3.8Å; N903-L934 PolarHBondContact ND2-O 3.48Å; N903-P935 WeakPolarHBondContact CB-O 3.34Å; N903-P935 PolarHBondContact ND2-O 2.88Å; N903-G937 VanDerWaalsContact O-CA 3.25Å; N903-G937 WeakPolarHBondContact O-CA 3.31Å; N903-G937 PolarHBondContact O-N 2.99Å; N903-E938 PolarHBondContact N-O 2.83Å
904	S	86.8	Confident	87.4	Confident	60 Å²	60	36.2 Å²	36.2	42%	0.42	21%	0.214	S	C	.	.			trans	-89.3	10	172.6	-55.3	0	0	0	0	113.4	G876	G876-S904 WeakPolarHBondContact O-CA 3.28Å; G876-S904 WeakPolarHBondContact O-CB 3.37Å; G876-S904 PolarHBondContact O-N 2.67Å
905	S	81.3	Confident	87	Confident	29 Å²	29	38.4 Å²	38.4	20%	0.203	22%	0.224	C	C	.	.	S	Bend	trans	-85.8	166.8	175.6	84	0	0	0	0	111.8	N903 S907 A936	N903-S905 VanDerWaalsContact C-N 3.33Å; N903-S905 VanDerWaalsContact OD1-CB 3.31Å; N903-S905 WeakPolarHBondContact OD1-CB 3.4Å; N903-S905 PolarHBondContact OD1-N 3.47Å; N903-S905 PolarHBondContact OD1-OG 3.01Å; S905-S907 PolarHBondContact O-N 3.09Å; S905-S907 PolarHBondContact OG-N 2.86Å; S905-S907 PolarHBondContact OG-O 3.45Å; S905-A936 WeakPolarHBondContact O-CB 3.37Å
906	A	79.3	Confident	86.1	Confident	108 Å²	108	42.1 Å²	42.1	89%	0.893	24%	0.243	S	C	*	.	S	Bend	trans	-83.8	10.8	178	0	0	0	0	0	114.2
907	S	80.3	Confident	85.6	Confident	76 Å²	76	44 Å²	44	53%	0.531	25%	0.254	S	S	.	.	S	Bend	trans	-143.5	152.1	-177.3	58	0	0	0	0	112.2	N903 S905 T909	N903-S907 PolarHBondContact ND2-O 3.3Å; S905-S907 PolarHBondContact O-N 3.09Å; S905-S907 PolarHBondContact OG-N 2.86Å; S905-S907 PolarHBondContact OG-O 3.45Å; S907-T909 PolarHBondContact O-N 3.22Å
908	D	84.9	Confident	84.7	Confident	72 Å²	72	50.6 Å²	50.6	39%	0.385	28%	0.282	S	S	.	.			trans	-72.2	131.6	-176.1	-48.9	-36	0	0	0	112.4	K910 L933 P935 A936	D908-K910 PolarHBondContact O-N 3.3Å; D908-L933 HydrophobicContact CB-CD1 3.61Å; D908-P935 VanDerWaalsContact OD1-CA 3.3Å; D908-P935 WeakPolarHBondContact OD1-CA 3.43Å; D908-A936 PolarHBondContact OD1-N 3.16Å
909	T	81.6	Confident	84	Confident	16 Å²	16	49.9 Å²	49.9	10%	0.098	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	111.1	178.4	-62	0	0	0	0	109.5	N903 S907 L934 T961	N903-T909 PolarHBondContact ND2-N 3.35Å; N903-T909 PolarHBondContact ND2-OG1 2.96Å; S907-T909 PolarHBondContact O-N 3.22Å; T909-L934 PolarHBondContact N-O 2.95Å; T909-L934 PolarHBondContact O-N 3.2Å; T909-T961 HydrophobicContact CG2-CG2 3.57Å
910	K	85.4	Confident	83.1	Confident	105 Å²	105	54.6 Å²	54.6	46%	0.457	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	152.9	-179.9	-53.8	-172.4	-178.1	-171.4	0	113	D908 E932 L933 H962	D908-K910 PolarHBondContact O-N 3.3Å; K910-E932 WeakPolarHBondContact CA-O 3.31Å; K910-L933 HydrophobicContact CD-CD1 4.26Å; K910-L933 HydrophobicContact CG-CD1 3.76Å; K910-H962 HydrophobicContact CB-CB 4.32Å; K910-H962 PolarHBondContact N-CE1 2.98Å; K910-H962 PolarHBondContact N-ND1 3.45Å; K910-H962 PolarHBondContact O-N 2.92Å; K910-H962 PolarHBondContact O-ND1 3.13Å
911	S	83.7	Confident	81.7	Confident	15 Å²	15	57.3 Å²	57.3	11%	0.105	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	51.7	55.3	174.3	-57.5	0	0	0	0	113.9	L41 H913 E930 I931 E932 T961	L41-S911 WeakPolarHBondContact CD2-OG 3.49Å; S911-H913 PolarHBondContact O-N 3.32Å; S911-H913 PolarHBondContact O-ND1 3.19Å; S911-E930 VanDerWaalsContact CB-OE1 3.31Å; S911-E930 WeakPolarHBondContact CB-OE1 3.39Å; S911-E930 PolarHBondContact OG-OE1 3.07Å; S911-I931 PolarHBondContact N-O 2.83Å; S911-E932 PolarHBondContact N-O 2.89Å; S911-T961 WeakPolarHBondContact O-CA 3.29Å
912	L	87.5	Confident	80.7	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	111.6	176.3	178.3	57.8	0	0	0	110.5	L877 F901 E930 I931 L959 C960 T961	L877-L912 HydrophobicContact CD1-CD2 4.35Å; L877-L912 HydrophobicContact CD2-CD1 4.26Å; L877-L912 HydrophobicContact CD2-CD2 4.21Å; F901-L912 HydrophobicContact CB-CD2 4.12Å; F901-L912 HydrophobicContact CD1-CD2 3.47Å; F901-L912 VanDerWaalsContact CD1-CD2 3.47Å; F901-L912 HydrophobicContact CD1-CG 4.42Å; F901-L912 HydrophobicContact CE1-CD2 3.99Å; F901-L912 HydrophobicContact CE1-CG 4.49Å; F901-L912 HydrophobicContact CG-CD2 3.84Å; L912-E930 WeakPolarHBondContact O-CA 3.2Å; L912-I931 HydrophobicContact CB-CB 4.27Å; L912-I931 PolarHBondContact N-O 3.45Å; L912-I931 PolarHBondContact O-N 3.43Å; L912-L959 HydrophobicContact CD1-CB 4.43Å; L912-C960 CarbonylContact C-O 3.4Å; L912-C960 WeakPolarHBondContact CA-O 3.08Å; L912-T961 HydrophobicContact CD1-CG2 3.97Å
913	H	87.9	Confident	80.4	Confident	51 Å²	51	58.8 Å²	58.8	24%	0.236	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	-175.3	-175.1	63.5	-72.8	0	0	0	111	S911 E930 C960	S911-H913 PolarHBondContact O-N 3.32Å; S911-H913 PolarHBondContact O-ND1 3.19Å; H913-E930 HydrophobicContact CB-CB 4.25Å; H913-E930 HydrophobicContact CB-CG 4.16Å; H913-C960 PolarHBondContact N-O 3.48Å; H913-C960 PolarHBondContact ND1-O 3.13Å; H913-C960 PolarHBondContact O-N 3.5Å
914	M	88.2	Confident	80.3	Confident	9 Å²	9	64.4 Å²	64.4	4%	0.044	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143	179	-169.5	171.4	73.3	0	0	111.4	V917 V925 E927 F928 M944 F957 Q958	M914-V917 HydrophobicContact CE-CG1 4.37Å; M914-V917 HydrophobicContact CE-CG2 3.54Å; M914-V917 HydrophobicContact CG-CG2 4.26Å; M914-V917 HydrophobicContact SD-CG2 4.27Å; M914-V925 HydrophobicContact CE-CB 4.32Å; M914-V925 HydrophobicContact CE-CG1 3.51Å; M914-V925 HydrophobicContact SD-CG1 4.33Å; M914-E927 HydrophobicContact CE-CB 3.97Å; M914-E927 HydrophobicContact CE-CG 3.62Å; M914-F928 HydrophobicContact CB-CE1 4.37Å; M914-M944 HydrophobicContact CE-SD 4.18Å; M914-M944 HydrophobicContact SD-SD 3.74Å; M914-F957 HydrophobicContact CG-CB 3.9Å; M914-F957 HydrophobicContact CG-CD2 3.65Å; M914-F957 HydrophobicContact CG-CE2 4.48Å; M914-F957 HydrophobicContact CG-CG 4.07Å; M914-F957 HydrophobicContact SD-CB 3.7Å; M914-F957 HydrophobicContact SD-CD1 4.19Å; M914-F957 HydrophobicContact SD-CD2 3.34Å; M914-F957 WeakPolarHBondContact SD-CD2 3.15Å; M914-F957 HydrophobicContact SD-CE2 3.9Å; M914-F957 HydrophobicContact SD-CG 3.49Å; M914-F957 WeakPolarHBondContact SD-CG 3.32Å; M914-Q958 WeakPolarHBondContact CA-O 3.31Å
915	E	80.3	Confident	80.4	Confident	63 Å²	63	62.9 Å²	62.9	29%	0.294	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	173.3	171.9	-62.8	-171.7	115.5	0	0	111.6	V917 Q958 C960 K965	E915-V917 VanDerWaalsContact C-N 3.33Å; E915-V917 PolarHBondContact O-N 3.42Å; E915-Q958 PolarHBondContact N-O 3.25Å; E915-Q958 PolarHBondContact O-N 3.21Å; E915-C960 HydrophobicContact CG-CB 4.24Å; E915-C960 PolarHBondContact OE2-SG 3.27Å; E915-K965 VanDerWaalsContact OE2-CE 3.24Å; E915-K965 WeakPolarHBondContact OE2-CE 3.27Å; E915-K965 IonicContact OE2-NZ 2.73Å; E915-K965 PolarHBondContact OE2-NZ 3.47Å
916	D	70.5	Confident	80.7	Confident	92 Å²	92	66.1 Å²	66.1	49%	0.492	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	48.1	47.6	170.5	-76.7	-10.6	0	0	0	114.5	K918 Q958	D916-K918 PolarHBondContact O-N 3.21Å; D916-Q958 HydrophobicContact CB-CG 4.37Å; D916-Q958 PolarHBondContact OD2-NE2 3.36Å
917	V	78.4	Confident	81.1	Confident	46 Å²	46	66.7 Å²	66.7	28%	0.279	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	102.5	179.7	-157.5	0	0	0	0	110	M914 E915 L919 V925 N956 F957	M914-V917 HydrophobicContact CE-CG1 4.37Å; M914-V917 HydrophobicContact CE-CG2 3.54Å; M914-V917 HydrophobicContact CG-CG2 4.26Å; M914-V917 HydrophobicContact SD-CG2 4.27Å; E915-V917 VanDerWaalsContact C-N 3.33Å; E915-V917 PolarHBondContact O-N 3.42Å; V917-L919 HydrophobicContact CB-CG 4.49Å; V917-L919 HydrophobicContact CG1-CD1 3.96Å; V917-L919 HydrophobicContact CG1-CD2 3.69Å; V917-L919 HydrophobicContact CG1-CG 3.67Å; V917-L919 PolarHBondContact O-N 3.15Å; V917-V925 HydrophobicContact CG1-CB 4.18Å; V917-V925 HydrophobicContact CG1-CG2 4.07Å; V917-N956 CarbonylContact C-O 3.45Å; V917-F957 HydrophobicContact CB-CB 4.49Å; V917-F957 HydrophobicContact CG1-CB 4.15Å; V917-F957 HydrophobicContact CG2-CB 4.45Å
918	K	73.3	Confident	81.4	Confident	138 Å²	138	63.5 Å²	63.5	60%	0.6	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	83.4	-177.9	-72.2	179.6	-176.4	178.1	0	110.2	D916 N956	D916-K918 PolarHBondContact O-N 3.21Å; K918-N956 HydrophobicContact CB-CB 4.44Å; K918-N956 PolarHBondContact N-O 3.38Å
919	L	77.8	Confident	81.4	Confident	58 Å²	58	64.8 Å²	64.8	30%	0.304	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-91.6	149.6	-179.5	-58.3	-176.8	0	0	0	111.9	V917 M923 V925 A955	V917-L919 HydrophobicContact CB-CG 4.49Å; V917-L919 HydrophobicContact CG1-CD1 3.96Å; V917-L919 HydrophobicContact CG1-CD2 3.69Å; V917-L919 HydrophobicContact CG1-CG 3.67Å; V917-L919 PolarHBondContact O-N 3.15Å; L919-M923 HydrophobicContact CB-CB 4.16Å; L919-M923 WeakPolarHBondContact CD1-O 3.16Å; L919-M923 HydrophobicContact CD2-CB 4.46Å; L919-V925 HydrophobicContact CD1-CB 4.36Å; L919-V925 HydrophobicContact CD1-CG2 3.97Å; L919-V925 HydrophobicContact CD2-CG2 3.77Å; L919-V925 HydrophobicContact CG-CG2 4.49Å; L919-A955 HydrophobicContact CD2-CB 4.22Å
920	Q	72.4	Confident	81.7	Confident	99 Å²	99	67 Å²	67	46%	0.463	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-85.7	160.2	169.6	-56.5	-161.9	35.3	0	0	110.4	G922 M923	Q920-G922 PolarHBondContact O-N 2.93Å; Q920-G922 VanDerWaalsContact O-N 3.15Å; Q920-M923 HydrophobicContact CB-SD 4.14Å; Q920-M923 PolarHBondContact O-N 3Å
921	S	62.1	Low	81.8	Confident	135 Å²	135	63.1 Å²	63.1	94%	0.944	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	119.1	-176.1	-63.4	0	0	0	0	112.8
922	G	72.6	Confident	81.8	Confident	50 Å²	50	65.7 Å²	65.7	52%	0.515	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.5	-40.7	-179.2	0	0	0	0	0	113.9	Q920 C949	Q920-G922 PolarHBondContact O-N 2.93Å; Q920-G922 VanDerWaalsContact O-N 3.15Å; G922-C949 PolarHBondContact O-SG 2.91Å
923	M	84.7	Confident	81.8	Confident	13 Å²	13	70 Å²	70	6%	0.064	37%	0.367	C	S	.	.			trans	-61.4	144.6	-176.6	-61.9	177.9	77.2	0	0	112	L919 Q920 D947 F948 Q953 A955	L919-M923 HydrophobicContact CB-CB 4.16Å; L919-M923 WeakPolarHBondContact CD1-O 3.16Å; L919-M923 HydrophobicContact CD2-CB 4.46Å; Q920-M923 HydrophobicContact CB-SD 4.14Å; Q920-M923 PolarHBondContact O-N 3Å; M923-D947 WeakPolarHBondContact CA-O 3.34Å; M923-F948 HydrophobicContact CE-CD1 3.75Å; M923-F948 HydrophobicContact CE-CE1 4.44Å; M923-Q953 HydrophobicContact SD-CB 4.47Å; M923-A955 HydrophobicContact CE-CB 4.07Å
924	R	86.6	Confident	81.7	Confident	118 Å²	118	67.7 Å²	67.7	45%	0.445	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	145.3	178.8	-57	175.6	-71.4	174	4.9	110.6	M894 D947	M894-R924 HydrophobicContact CE-CB 4.23Å; R924-D947 HydrophobicContact CB-CB 3.99Å; R924-D947 IonicContact CZ-OD2 2.85Å; R924-D947 VanDerWaalsContact CZ-OD2 3.23Å; R924-D947 PolarHBondContact N-O 3.12Å; R924-D947 IonicContact NE-OD2 3.38Å; R924-D947 PolarHBondContact NE-OD2 3.06Å; R924-D947 IonicContact NH2-OD2 3.68Å; R924-D947 PolarHBondContact NH2-OD2 3.06Å; R924-D947 PolarHBondContact O-N 2.86Å
925	V	88.8	Confident	81.6	Confident	28 Å²	28	68.8 Å²	68.8	17%	0.17	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	135.9	172.2	179	0	0	0	0	108.7	M914 V917 L919 M944 G945 I946 A955	M914-V925 HydrophobicContact CE-CB 4.32Å; M914-V925 HydrophobicContact CE-CG1 3.51Å; M914-V925 HydrophobicContact SD-CG1 4.33Å; V917-V925 HydrophobicContact CG1-CB 4.18Å; V917-V925 HydrophobicContact CG1-CG2 4.07Å; L919-V925 HydrophobicContact CD1-CB 4.36Å; L919-V925 HydrophobicContact CD1-CG2 3.97Å; L919-V925 HydrophobicContact CD2-CG2 3.77Å; L919-V925 HydrophobicContact CG-CG2 4.49Å; V925-M944 HydrophobicContact CG1-CE 4.45Å; V925-M944 HydrophobicContact CG1-CG 3.94Å; V925-M944 HydrophobicContact CG1-SD 3.76Å; V925-G945 CarbonylContact C-O 3.59Å; V925-G945 WeakPolarHBondContact CA-O 3.44Å; V925-I946 HydrophobicContact CG1-CG1 4.45Å; V925-I946 HydrophobicContact CG2-CG1 4.28Å; V925-I946 HydrophobicContact CG2-CG2 4.1Å; V925-A955 HydrophobicContact CG2-CB 4.46Å
926	K	88.1	Confident	81.9	Confident	97 Å²	97	68 Å²	68	42%	0.422	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	105.8	170.4	-175.9	149	175.4	174.8	0	108.7	F888 P890 M894 M944 G945	F888-K926 HydrophobicContact CE1-CB 3.96Å; F888-K926 HydrophobicContact CE1-CD 3.98Å; F888-K926 HydrophobicContact CE1-CG 4.11Å; F888-K926 HydrophobicContact CZ-CB 4.08Å; F888-K926 HydrophobicContact CZ-CD 4.31Å; F888-K926 HydrophobicContact CZ-CG 4.05Å; P890-K926 HydrophobicContact CB-CD 4.17Å; P890-K926 VanDerWaalsContact CB-NZ 3.34Å; M894-K926 HydrophobicContact SD-CB 3.99Å; K926-M944 VanDerWaalsContact O-CG 3.24Å; K926-M944 WeakPolarHBondContact O-CG 3.28Å; K926-G945 PolarHBondContact N-O 3.2Å; K926-G945 PolarHBondContact O-N 2.95Å
927	E	87.8	Confident	82.4	Confident	119 Å²	119	66.5 Å²	66.5	56%	0.556	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-53.6	145.1	-173	-34	-173	141	0	0	112.2	M914	M914-E927 HydrophobicContact CE-CB 3.97Å; M914-E927 HydrophobicContact CE-CG 3.62Å
928	F	87.8	Confident	82.9	Confident	9 Å²	9	69.7 Å²	69.7	4%	0.039	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-74.6	152.9	170.1	65	-92.6	0	0	0	110.3	M899 F901 M914 E930 A942 M944 L959	M899-F928 HydrophobicContact CE-CE1 4.46Å; M899-F928 HydrophobicContact SD-CD1 3.99Å; M899-F928 HydrophobicContact SD-CE1 4.16Å; F901-F928 HydrophobicContact CE1-CE2 4.49Å; F901-F928 HydrophobicContact CE1-CZ 4.11Å; F901-F928 HydrophobicContact CE2-CD2 4.44Å; F901-F928 HydrophobicContact CE2-CE2 4.24Å; F901-F928 HydrophobicContact CZ-CD1 4.42Å; F901-F928 HydrophobicContact CZ-CD2 4.24Å; F901-F928 AromaticContact CZ-CE1 3.97Å; F901-F928 HydrophobicContact CZ-CE1 3.97Å; F901-F928 AromaticContact CZ-CE2 3.77Å; F901-F928 HydrophobicContact CZ-CE2 3.77Å; F901-F928 AromaticContact CZ-CZ 3.62Å; F901-F928 HydrophobicContact CZ-CZ 3.62Å; M914-F928 HydrophobicContact CB-CE1 4.37Å; F928-E930 PolarHBondContact O-N 3.29Å; F928-A942 HydrophobicContact CB-CB 3.84Å; F928-A942 HydrophobicContact CD2-CB 3.94Å; F928-A942 HydrophobicContact CG-CB 4.14Å; F928-M944 HydrophobicContact CB-CB 4.3Å; F928-M944 HydrophobicContact CD1-CB 4.45Å; F928-M944 HydrophobicContact CD1-SD 3.98Å; F928-L959 HydrophobicContact CE1-CD2 3.73Å; F928-L959 HydrophobicContact CZ-CD2 3.71Å
929	P	84.8	Confident	83.6	Confident	99 Å²	99	66.8 Å²	66.8	64%	0.643	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-63.6	135.6	178.9	25.9	-34.6	0	0	0	111.7	I931	P929-I931 PolarHBondContact O-N 3.49Å
930	E	86.5	Confident	84.2	Confident	63 Å²	63	65.3 Å²	65.3	29%	0.294	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-51.9	125.2	178	176.4	178.6	-166.1	0	0	111.4	K74 S911 L912 H913 F928 E932	K74-E930 IonicContact NZ-OE2 2.69Å; S911-E930 VanDerWaalsContact CB-OE1 3.31Å; S911-E930 WeakPolarHBondContact CB-OE1 3.39Å; S911-E930 PolarHBondContact OG-OE1 3.07Å; L912-E930 WeakPolarHBondContact O-CA 3.2Å; H913-E930 HydrophobicContact CB-CB 4.25Å; H913-E930 HydrophobicContact CB-CG 4.16Å; F928-E930 PolarHBondContact O-N 3.29Å; E930-E932 PolarHBondContact O-N 3.19Å
931	I	87.8	Confident	85.1	Confident	23 Å²	23	64.6 Å²	64.6	12%	0.118	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	101	174.8	-58.1	172.7	0	0	0	107.1	F901 S911 L912 P929 L933 L934 A940	F901-I931 HydrophobicContact CD2-CD1 3.53Å; F901-I931 HydrophobicContact CE2-CD1 3.81Å; F901-I931 HydrophobicContact CG-CD1 4.21Å; S911-I931 PolarHBondContact N-O 2.83Å; L912-I931 HydrophobicContact CB-CB 4.27Å; L912-I931 PolarHBondContact N-O 3.45Å; L912-I931 PolarHBondContact O-N 3.43Å; P929-I931 PolarHBondContact O-N 3.49Å; I931-L933 VanDerWaalsContact C-N 3.3Å; I931-L933 PolarHBondContact O-N 3.06Å; I931-L934 HydrophobicContact CG2-CB 4.29Å; I931-A940 HydrophobicContact CD1-CB 4.08Å
932	E	84.9	Confident	86.4	Confident	70 Å²	70	58.6 Å²	58.6	33%	0.327	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	-39.2	-173.6	-61.9	-178.5	151.4	0	0	112	N75 K910 S911 E930	N75-E932 PolarHBondContact ND2-OE2 3.4Å; K910-E932 WeakPolarHBondContact CA-O 3.31Å; S911-E932 PolarHBondContact N-O 2.89Å; E930-E932 PolarHBondContact O-N 3.19Å
933	L	85.8	Confident	87.3	Confident	89 Å²	89	59.4 Å²	59.4	47%	0.466	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	131.2	179	-175.7	69.5	0	0	0	110.9	D908 K910 I931 P935	D908-L933 HydrophobicContact CB-CD1 3.61Å; K910-L933 HydrophobicContact CD-CD1 4.26Å; K910-L933 HydrophobicContact CG-CD1 3.76Å; I931-L933 VanDerWaalsContact C-N 3.3Å; I931-L933 PolarHBondContact O-N 3.06Å; L933-P935 HydrophobicContact CG-CG 4.46Å
934	L	86.6	Confident	87.5	Confident	3 Å²	3	58.8 Å²	58.8	2%	0.016	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	100.7	168.6	177.9	60.7	0	0	0	109.3	L877 F901 N903 T909 I931 E938 A940	L877-L934 HydrophobicContact CD1-CD2 4.11Å; F901-L934 HydrophobicContact CB-CD2 3.96Å; N903-L934 HydrophobicContact CB-CD2 3.89Å; N903-L934 HydrophobicContact CB-CG 3.8Å; N903-L934 PolarHBondContact ND2-O 3.48Å; T909-L934 PolarHBondContact N-O 2.95Å; T909-L934 PolarHBondContact O-N 3.2Å; I931-L934 HydrophobicContact CG2-CB 4.29Å; L934-E938 HydrophobicContact CD1-CB 4.28Å; L934-A940 HydrophobicContact CD1-CB 3.81Å
935	P	86.6	Confident	87.8	Confident	33 Å²	33	53.1 Å²	53.1	21%	0.214	31%	0.309	C	S	.	.			trans	-60.2	158.2	-174.9	-26.9	36.5	0	0	0	114.9	N903 D908 L933 G937 E938	N903-P935 WeakPolarHBondContact CB-O 3.34Å; N903-P935 PolarHBondContact ND2-O 2.88Å; D908-P935 VanDerWaalsContact OD1-CA 3.3Å; D908-P935 WeakPolarHBondContact OD1-CA 3.43Å; L933-P935 HydrophobicContact CG-CG 4.46Å; P935-G937 PolarHBondContact O-N 3.01Å; P935-E938 HydrophobicContact CB-CB 4.35Å; P935-E938 HydrophobicContact CB-CG 4.07Å; P935-E938 WeakPolarHBondContact CD-OE2 3.41Å; P935-E938 HydrophobicContact CG-CG 4.48Å; P935-E938 WeakPolarHBondContact CG-OE2 3.45Å; P935-E938 PolarHBondContact O-N 2.99Å
936	A	85	Confident	87.9	Confident	45 Å²	45	51.8 Å²	51.8	37%	0.372	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	121.6	173.6	0	0	0	0	0	111.9	S905 D908	S905-A936 WeakPolarHBondContact O-CB 3.37Å; D908-A936 PolarHBondContact OD1-N 3.16Å
937	G	82.1	Confident	88	Confident	62 Å²	62	47.2 Å²	47.2	64%	0.639	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.8	-7.3	-178.5	0	0	0	0	0	115.6	N903 P935	N903-G937 VanDerWaalsContact O-CA 3.25Å; N903-G937 WeakPolarHBondContact O-CA 3.31Å; N903-G937 PolarHBondContact O-N 2.99Å; P935-G937 PolarHBondContact O-N 3.01Å
938	E	87.9	Confident	88	Confident	113 Å²	113	41.6 Å²	41.6	53%	0.528	26%	0.255	S	S	.	.			trans	-94.6	164.3	-175.9	-69.8	-166.5	175	0	0	114.3	N903 L934 P935	N903-E938 PolarHBondContact N-O 2.83Å; L934-E938 HydrophobicContact CD1-CB 4.28Å; P935-E938 HydrophobicContact CB-CB 4.35Å; P935-E938 HydrophobicContact CB-CG 4.07Å; P935-E938 WeakPolarHBondContact CD-OE2 3.41Å; P935-E938 HydrophobicContact CG-CG 4.48Å; P935-E938 WeakPolarHBondContact CG-OE2 3.45Å; P935-E938 PolarHBondContact O-N 2.99Å
939	T	89.4	Confident	87.9	Confident	77 Å²	77	43.5 Å²	43.5	47%	0.472	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	131.4	175.5	73.7	0	0	0	0	111.5	F901 T902	F901-T939 CarbonylContact O-C 3.6Å; F901-T939 WeakPolarHBondContact O-CA 3.44Å; T902-T939 HydrophobicContact CG2-CG2 3.91Å; T902-T939 VanDerWaalsContact OG1-CG2 3.29Å; T902-T939 WeakPolarHBondContact OG1-CG2 3.28Å
940	A	89.8	Confident	87.8	Confident	26 Å²	26	39.6 Å²	39.6	22%	0.215	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	148.4	173.4	0	0	0	0	0	111.1	F901 I931 L934	F901-A940 PolarHBondContact N-O 2.86Å; F901-A940 PolarHBondContact O-N 3.1Å; I931-A940 HydrophobicContact CD1-CB 4.08Å; L934-A940 HydrophobicContact CD1-CB 3.81Å
941	T	90.9	Very high	87.7	Confident	84 Å²	84	38.1 Å²	38.1	52%	0.515	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134.1	177.1	56.8	0	0	0	0	111.3	M899 Q900	M899-T941 CarbonylContact O-C 3.57Å; M899-T941 VanDerWaalsContact O-CA 3.26Å; M899-T941 WeakPolarHBondContact O-CA 3.21Å; Q900-T941 HydrophobicContact CB-CG2 4.14Å; Q900-T941 HydrophobicContact CG-CG2 4.03Å
942	A	90.2	Very high	87.5	Confident	10 Å²	10	39 Å²	39	8%	0.083	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	167.9	171.7	0	0	0	0	0	111	M899 F901 F928	M899-A942 PolarHBondContact N-O 3.43Å; M899-A942 PolarHBondContact O-N 2.95Å; F901-A942 HydrophobicContact CE2-CB 3.98Å; F928-A942 HydrophobicContact CB-CB 3.84Å; F928-A942 HydrophobicContact CD2-CB 3.94Å; F928-A942 HydrophobicContact CG-CB 4.14Å
943	V	90.8	Very high	87.5	Confident	66 Å²	66	39.1 Å²	39.1	40%	0.4	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.6	179.1	-176.8	0	0	0	0	109.5	F888 A896 V897 Q898	F888-V943 HydrophobicContact CD2-CG1 4.33Å; F888-V943 HydrophobicContact CE2-CG1 4.29Å; A896-V943 HydrophobicContact CB-CG1 4.32Å; V897-V943 WeakPolarHBondContact O-CA 3.4Å; Q898-V943 HydrophobicContact CB-CG2 4.36Å; Q898-V943 HydrophobicContact CG-CG2 4.34Å
944	M	90.3	Very high	87.6	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	143	-179.5	-168.5	170.3	64.6	0	0	109.4	V897 M899 M914 V925 K926 F928 I946 F957 I970	V897-M944 PolarHBondContact N-O 3Å; V897-M944 PolarHBondContact O-N 2.95Å; M899-M944 HydrophobicContact SD-CB 4.33Å; M899-M944 HydrophobicContact SD-CE 3.9Å; M899-M944 HydrophobicContact SD-SD 4.31Å; M914-M944 HydrophobicContact CE-SD 4.18Å; M914-M944 HydrophobicContact SD-SD 3.74Å; V925-M944 HydrophobicContact CG1-CE 4.45Å; V925-M944 HydrophobicContact CG1-CG 3.94Å; V925-M944 HydrophobicContact CG1-SD 3.76Å; K926-M944 VanDerWaalsContact O-CG 3.24Å; K926-M944 WeakPolarHBondContact O-CG 3.28Å; F928-M944 HydrophobicContact CB-CB 4.3Å; F928-M944 HydrophobicContact CD1-CB 4.45Å; F928-M944 HydrophobicContact CD1-SD 3.98Å; M944-I946 HydrophobicContact CE-CD1 3.9Å; M944-I946 HydrophobicContact CE-CG1 4.15Å; M944-F957 HydrophobicContact CE-CE1 3.95Å; M944-F957 HydrophobicContact CE-CE2 4.4Å; M944-F957 HydrophobicContact CE-CZ 3.7Å; M944-I970 HydrophobicContact CE-CD1 3.95Å
945	G	91.5	Very high	87.7	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	131.4	174.8	0	0	0	0	0	110.8	V925 K926	V925-G945 CarbonylContact C-O 3.59Å; V925-G945 WeakPolarHBondContact CA-O 3.44Å; K926-G945 PolarHBondContact N-O 3.2Å; K926-G945 PolarHBondContact O-N 2.95Å
946	I	90.9	Very high	87.9	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.7	172.3	-50	177	0	0	0	110	V895 V897 V925 M944 F948 A955 I970	V895-I946 PolarHBondContact N-O 3.15Å; V895-I946 PolarHBondContact O-N 3.06Å; V897-I946 HydrophobicContact CG2-CD1 4.01Å; V897-I946 HydrophobicContact CG2-CG1 4.36Å; V925-I946 HydrophobicContact CG1-CG1 4.45Å; V925-I946 HydrophobicContact CG2-CG1 4.28Å; V925-I946 HydrophobicContact CG2-CG2 4.1Å; M944-I946 HydrophobicContact CE-CD1 3.9Å; M944-I946 HydrophobicContact CE-CG1 4.15Å; I946-F948 HydrophobicContact CB-CD2 4.13Å; I946-F948 HydrophobicContact CB-CE1 4.38Å; I946-F948 HydrophobicContact CB-CE2 3.63Å; I946-F948 HydrophobicContact CB-CZ 3.78Å; I946-F948 HydrophobicContact CD1-CE1 4.31Å; I946-F948 HydrophobicContact CD1-CE2 4.28Å; I946-F948 HydrophobicContact CD1-CZ 3.67Å; I946-F948 HydrophobicContact CG1-CZ 4.33Å; I946-F948 HydrophobicContact CG2-CD1 3.78Å; I946-F948 HydrophobicContact CG2-CD2 3.79Å; I946-F948 HydrophobicContact CG2-CE1 3.56Å; I946-F948 HydrophobicContact CG2-CE2 3.59Å; I946-F948 HydrophobicContact CG2-CG 3.9Å; I946-F948 HydrophobicContact CG2-CZ 3.48Å; I946-F948 VanDerWaalsContact CG2-CZ 3.48Å; I946-A955 HydrophobicContact CD1-CB 4.38Å; I946-A955 HydrophobicContact CG2-CB 4.2Å; I946-I970 HydrophobicContact CD1-CB 4.29Å; I946-I970 HydrophobicContact CD1-CD1 4.3Å; I946-I970 HydrophobicContact CD1-CG2 4.06Å
947	D	89.9	Confident	88.1	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	104.8	163.8	-175.2	-4.4	0	0	0	108.5	M894 M923 R924 C949 T1046	M894-D947 HydrophobicContact CE-CB 4.41Å; M894-D947 HydrophobicContact CG-CB 4.13Å; M923-D947 WeakPolarHBondContact CA-O 3.34Å; R924-D947 HydrophobicContact CB-CB 3.99Å; R924-D947 IonicContact CZ-OD2 2.85Å; R924-D947 VanDerWaalsContact CZ-OD2 3.23Å; R924-D947 PolarHBondContact N-O 3.12Å; R924-D947 IonicContact NE-OD2 3.38Å; R924-D947 PolarHBondContact NE-OD2 3.06Å; R924-D947 IonicContact NH2-OD2 3.68Å; R924-D947 PolarHBondContact NH2-OD2 3.06Å; R924-D947 PolarHBondContact O-N 2.86Å; D947-C949 VanDerWaalsContact C-N 3.28Å; D947-C949 WeakPolarHBondContact OD1-CA 3.31Å; D947-C949 PolarHBondContact OD1-N 2.84Å; D947-C949 PolarHBondContact OD1-SG 2.84Å; D947-C949 VanDerWaalsContact OD1-SG 3.34Å; D947-T1046 WeakPolarHBondContact OD1-CG2 3.46Å; D947-T1046 PolarHBondContact OD1-OG1 2.97Å
948	F	87.6	Confident	88.5	Confident	1 Å²	1	32.7 Å²	32.7	0%	0.004	19%	0.192	C	C	.	.			trans	-83.8	-1.8	176.5	-64	-82.4	0	0	0	112.8	F883 V895 M923 I946 D950 S951 A955 I970 P972 L977	F883-F948 HydrophobicContact CE1-CE2 4.46Å; V895-F948 HydrophobicContact CB-CD2 4.36Å; V895-F948 HydrophobicContact CB-CE2 4.2Å; V895-F948 HydrophobicContact CG2-CD2 4.1Å; V895-F948 HydrophobicContact CG2-CE2 4.38Å; M923-F948 HydrophobicContact CE-CD1 3.75Å; M923-F948 HydrophobicContact CE-CE1 4.44Å; I946-F948 HydrophobicContact CB-CD2 4.13Å; I946-F948 HydrophobicContact CB-CE1 4.38Å; I946-F948 HydrophobicContact CB-CE2 3.63Å; I946-F948 HydrophobicContact CB-CZ 3.78Å; I946-F948 HydrophobicContact CD1-CE1 4.31Å; I946-F948 HydrophobicContact CD1-CE2 4.28Å; I946-F948 HydrophobicContact CD1-CZ 3.67Å; I946-F948 HydrophobicContact CG1-CZ 4.33Å; I946-F948 HydrophobicContact CG2-CD1 3.78Å; I946-F948 HydrophobicContact CG2-CD2 3.79Å; I946-F948 HydrophobicContact CG2-CE1 3.56Å; I946-F948 HydrophobicContact CG2-CE2 3.59Å; I946-F948 HydrophobicContact CG2-CG 3.9Å; I946-F948 HydrophobicContact CG2-CZ 3.48Å; I946-F948 VanDerWaalsContact CG2-CZ 3.48Å; F948-D950 PolarHBondContact O-N 3.04Å; F948-S951 WeakPolarHBondContact O-CB 2.97Å; F948-S951 PolarHBondContact O-N 2.75Å; F948-A955 HydrophobicContact CE1-CB 4.17Å; F948-I970 HydrophobicContact CZ-CG2 4.2Å; F948-P972 HydrophobicContact CB-CG 4.41Å; F948-P972 HydrophobicContact CD1-CB 4.32Å; F948-P972 HydrophobicContact CD1-CG 3.57Å; F948-P972 HydrophobicContact CD2-CB 4.13Å; F948-P972 HydrophobicContact CD2-CG 4.13Å; F948-P972 HydrophobicContact CE1-CB 4.14Å; F948-P972 HydrophobicContact CE1-CG 3.7Å; F948-P972 HydrophobicContact CE2-CB 3.92Å; F948-P972 HydrophobicContact CE2-CG 4.23Å; F948-P972 HydrophobicContact CG-CB 4.31Å; F948-P972 HydrophobicContact CG-CG 3.8Å; F948-P972 HydrophobicContact CZ-CB 3.92Å; F948-P972 HydrophobicContact CZ-CG 4.01Å; F948-L977 HydrophobicContact CB-CD2 3.72Å; F948-L977 HydrophobicContact CD2-CD2 3.56Å; F948-L977 HydrophobicContact CE2-CD2 4.39Å; F948-L977 HydrophobicContact CG-CD2 3.86Å
949	C	86.4	Confident	88.6	Confident	49 Å²	49	27.3 Å²	27.3	33%	0.331	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	38.4	-177.2	-74.2	0	0	0	0	114	G922 D947 S951 T1046	G922-C949 PolarHBondContact O-SG 2.91Å; D947-C949 VanDerWaalsContact C-N 3.28Å; D947-C949 WeakPolarHBondContact OD1-CA 3.31Å; D947-C949 PolarHBondContact OD1-N 2.84Å; D947-C949 PolarHBondContact OD1-SG 2.84Å; D947-C949 VanDerWaalsContact OD1-SG 3.34Å; C949-S951 PolarHBondContact O-N 3.24Å; C949-T1046 PolarHBondContact N-OG1 3.38Å
950	D	82.9	Confident	88.4	Confident	17 Å²	17	23.7 Å²	23.7	9%	0.091	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	24.5	-175.7	-54.9	-27.1	0	0	0	114.1	F948 T1044 T1046 S1047 K1071 I1074	F948-D950 PolarHBondContact O-N 3.04Å; D950-T1044 WeakPolarHBondContact OD1-CB 3.43Å; D950-T1044 PolarHBondContact OD2-OG1 3.25Å; D950-T1046 WeakPolarHBondContact OD1-CB 3.38Å; D950-T1046 PolarHBondContact OD1-N 3.38Å; D950-S1047 WeakPolarHBondContact OD2-CB 3.18Å; D950-S1047 PolarHBondContact OD2-N 2.95Å; D950-S1047 PolarHBondContact OD2-OG 3.06Å; D950-K1071 HydrophobicContact CB-CD 4.15Å; D950-K1071 IonicContact OD2-NZ 2.71Å; D950-K1071 PolarHBondContact OD2-NZ 3.14Å; D950-I1074 HydrophobicContact CB-CD1 3.8Å
951	S	84	Confident	88.2	Confident	32 Å²	32	23.2 Å²	23.2	22%	0.224	14%	0.139	C	C	.	.			trans	-97.2	147.8	174.1	-173.4	0	0	0	0	111.3	F948 C949 Q953	F948-S951 WeakPolarHBondContact O-CB 2.97Å; F948-S951 PolarHBondContact O-N 2.75Å; C949-S951 PolarHBondContact O-N 3.24Å; S951-Q953 VanDerWaalsContact C-N 3.28Å; S951-Q953 WeakPolarHBondContact OG-CB 3.47Å; S951-Q953 VanDerWaalsContact OG-CD 3.32Å; S951-Q953 VanDerWaalsContact OG-CG 3.25Å; S951-Q953 WeakPolarHBondContact OG-CG 3.49Å; S951-Q953 PolarHBondContact OG-N 2.83Å; S951-Q953 PolarHBondContact OG-OE1 2.78Å; S951-Q953 VanDerWaalsContact OG-OE1 3.11Å
952	T	83.3	Confident	87.6	Confident	40 Å²	40	24 Å²	24	25%	0.245	14%	0.137	C	C	.	.			trans	-90.6	10.3	174.8	61.2	0	0	0	0	113.1	Q971 V974	T952-Q971 WeakPolarHBondContact O-CG 3.36Å; T952-Q971 PolarHBondContact O-NE2 2.65Å; T952-V974 HydrophobicContact CG2-CG2 3.56Å
953	Q	86.1	Confident	86.9	Confident	73 Å²	73	28.4 Å²	28.4	34%	0.341	16%	0.163	S	C	.	.	P	Polyproline II helix	trans	-74.1	148.1	178.4	-68.7	170.2	-28.3	0	0	111.9	M923 S951	M923-Q953 HydrophobicContact SD-CB 4.47Å; S951-Q953 VanDerWaalsContact C-N 3.28Å; S951-Q953 WeakPolarHBondContact OG-CB 3.47Å; S951-Q953 VanDerWaalsContact OG-CD 3.32Å; S951-Q953 VanDerWaalsContact OG-CG 3.25Å; S951-Q953 WeakPolarHBondContact OG-CG 3.49Å; S951-Q953 PolarHBondContact OG-N 2.83Å; S951-Q953 PolarHBondContact OG-OE1 2.78Å; S951-Q953 VanDerWaalsContact OG-OE1 3.11Å
954	A	87.3	Confident	86.5	Confident	21 Å²	21	30.6 Å²	30.6	17%	0.174	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-82.1	135.8	-179.6	0	0	0	0	0	112.5	N956 S969 I970 Q971	A954-N956 PolarHBondContact O-ND2 2.71Å; A954-N956 VanDerWaalsContact O-ND2 3.09Å; A954-S969 WeakPolarHBondContact CB-OG 3.28Å; A954-I970 CarbonylContact C-O 3.4Å; A954-I970 VanDerWaalsContact CA-O 3.28Å; A954-I970 WeakPolarHBondContact CA-O 3.45Å; A954-Q971 HydrophobicContact CB-CB 3.81Å; A954-Q971 HydrophobicContact CB-CG 4.15Å
955	A	89.1	Confident	86.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	117.4	172.2	0	0	0	0	0	109.6	L919 M923 V925 I946 F948 S969 I970	L919-A955 HydrophobicContact CD2-CB 4.22Å; M923-A955 HydrophobicContact CE-CB 4.07Å; V925-A955 HydrophobicContact CG2-CB 4.46Å; I946-A955 HydrophobicContact CD1-CB 4.38Å; I946-A955 HydrophobicContact CG2-CB 4.2Å; F948-A955 HydrophobicContact CE1-CB 4.17Å; A955-S969 WeakPolarHBondContact O-CA 3.44Å; A955-I970 PolarHBondContact N-O 2.85Å; A955-I970 PolarHBondContact O-N 2.84Å
956	N	90	Very high	86.2	Confident	63 Å²	63	36.7 Å²	36.7	34%	0.337	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	130.9	-175.3	-55.4	-74.5	0	0	0	110.9	V917 K918 A954 S969	V917-N956 CarbonylContact C-O 3.45Å; K918-N956 HydrophobicContact CB-CB 4.44Å; K918-N956 PolarHBondContact N-O 3.38Å; A954-N956 PolarHBondContact O-ND2 2.71Å; A954-N956 VanDerWaalsContact O-ND2 3.09Å; N956-S969 WeakPolarHBondContact OD1-CB 3.42Å; N956-S969 PolarHBondContact OD1-OG 3.45Å
957	F	90.6	Very high	86.1	Confident	4 Å²	4	43.9 Å²	43.9	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	168.8	-179.4	55.5	-87.2	0	0	0	111.6	L868 M914 V917 M944 L959 V968 I970	L868-F957 HydrophobicContact CD2-CZ 4.17Å; M914-F957 HydrophobicContact CG-CB 3.9Å; M914-F957 HydrophobicContact CG-CD2 3.65Å; M914-F957 HydrophobicContact CG-CE2 4.48Å; M914-F957 HydrophobicContact CG-CG 4.07Å; M914-F957 HydrophobicContact SD-CB 3.7Å; M914-F957 HydrophobicContact SD-CD1 4.19Å; M914-F957 HydrophobicContact SD-CD2 3.34Å; M914-F957 WeakPolarHBondContact SD-CD2 3.15Å; M914-F957 HydrophobicContact SD-CE2 3.9Å; M914-F957 HydrophobicContact SD-CG 3.49Å; M914-F957 WeakPolarHBondContact SD-CG 3.32Å; V917-F957 HydrophobicContact CB-CB 4.49Å; V917-F957 HydrophobicContact CG1-CB 4.15Å; V917-F957 HydrophobicContact CG2-CB 4.45Å; M944-F957 HydrophobicContact CE-CE1 3.95Å; M944-F957 HydrophobicContact CE-CE2 4.4Å; M944-F957 HydrophobicContact CE-CZ 3.7Å; F957-L959 HydrophobicContact CD2-CD2 4.45Å; F957-L959 HydrophobicContact CD2-CG 4.42Å; F957-L959 HydrophobicContact CE2-CD2 4Å; F957-L959 HydrophobicContact CE2-CG 4.06Å; F957-V968 HydrophobicContact CD1-CG2 4.44Å; F957-V968 HydrophobicContact CD2-CG2 3.43Å; F957-V968 VanDerWaalsContact CD2-CG2 3.43Å; F957-V968 HydrophobicContact CE1-CG2 4.27Å; F957-V968 HydrophobicContact CE2-CG2 3.24Å; F957-V968 HydrophobicContact CG-CG2 4.06Å; F957-V968 HydrophobicContact CZ-CG2 3.69Å; F957-V968 PolarHBondContact N-O 3.47Å; F957-V968 PolarHBondContact O-N 2.73Å; F957-V968 VanDerWaalsContact O-O 3.08Å; F957-I970 HydrophobicContact CE1-CB 4.46Å; F957-I970 HydrophobicContact CE1-CD1 3.88Å; F957-I970 HydrophobicContact CE1-CG1 3.95Å; F957-I970 HydrophobicContact CZ-CD1 3.72Å; F957-I970 HydrophobicContact CZ-CG1 4.08Å
958	Q	89.5	Confident	86.1	Confident	10 Å²	10	44.4 Å²	44.4	5%	0.047	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.7	170.4	-73.7	171.4	64	0	0	110.2	M914 E915 D916 F966 F967	M914-Q958 WeakPolarHBondContact CA-O 3.31Å; E915-Q958 PolarHBondContact N-O 3.25Å; E915-Q958 PolarHBondContact O-N 3.21Å; D916-Q958 HydrophobicContact CB-CG 4.37Å; D916-Q958 PolarHBondContact OD2-NE2 3.36Å; Q958-F966 CarbonylContact C-O 3.34Å; Q958-F966 VanDerWaalsContact CA-O 3.31Å; Q958-F966 WeakPolarHBondContact CA-O 3.32Å; Q958-F967 HydrophobicContact CG-CD1 3.58Å; Q958-F967 HydrophobicContact CG-CD2 4.31Å; Q958-F967 HydrophobicContact CG-CE1 3.55Å; Q958-F967 HydrophobicContact CG-CE2 4.28Å; Q958-F967 HydrophobicContact CG-CG 3.97Å; Q958-F967 HydrophobicContact CG-CZ 3.91Å
959	L	89.4	Confident	86.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	119.4	162.3	-72.4	174.4	0	0	0	108.4	L868 V879 M899 F901 L912 F928 F957 K965 F966 V968	L868-L959 HydrophobicContact CD2-CD1 4.32Å; V879-L959 HydrophobicContact CG1-CD1 4.43Å; V879-L959 HydrophobicContact CG2-CD1 4.1Å; M899-L959 HydrophobicContact CE-CD1 4.41Å; M899-L959 HydrophobicContact CE-CD2 4.35Å; F901-L959 HydrophobicContact CE1-CD1 4.37Å; F901-L959 HydrophobicContact CE1-CD2 4.25Å; L912-L959 HydrophobicContact CD1-CB 4.43Å; F928-L959 HydrophobicContact CE1-CD2 3.73Å; F928-L959 HydrophobicContact CZ-CD2 3.71Å; F957-L959 HydrophobicContact CD2-CD2 4.45Å; F957-L959 HydrophobicContact CD2-CG 4.42Å; F957-L959 HydrophobicContact CE2-CD2 4Å; F957-L959 HydrophobicContact CE2-CG 4.06Å; L959-K965 CarbonylContact O-C 3.54Å; L959-K965 WeakPolarHBondContact O-CA 3.49Å; L959-F966 PolarHBondContact N-O 3.04Å; L959-F966 PolarHBondContact O-N 3.29Å; L959-V968 HydrophobicContact CD1-CG1 4.16Å; L959-V968 HydrophobicContact CD1-CG2 4.09Å; L959-V968 HydrophobicContact CG-CG2 3.88Å
960	C	86.6	Confident	86.5	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.007	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	131.5	-175	-65.3	0	0	0	0	110.1	L912 H913 E915 K965	L912-C960 CarbonylContact C-O 3.4Å; L912-C960 WeakPolarHBondContact CA-O 3.08Å; H913-C960 PolarHBondContact N-O 3.48Å; H913-C960 PolarHBondContact ND1-O 3.13Å; H913-C960 PolarHBondContact O-N 3.5Å; E915-C960 HydrophobicContact CG-CB 4.24Å; E915-C960 PolarHBondContact OE2-SG 3.27Å; C960-K965 HydrophobicContact CB-CG 4.45Å; C960-K965 VanDerWaalsContact SG-CD 3.55Å; C960-K965 VanDerWaalsContact SG-CG 3.59Å
961	T	85	Confident	86.8	Confident	15 Å²	15	49.2 Å²	49.2	9%	0.092	25%	0.248	C	C	.	.			trans	-106.8	170.8	167	62.1	0	0	0	0	108.8	L877 T909 S911 L912 T963 R964 F966	L877-T961 HydrophobicContact CD2-CG2 4.31Å; T909-T961 HydrophobicContact CG2-CG2 3.57Å; S911-T961 WeakPolarHBondContact O-CA 3.29Å; L912-T961 HydrophobicContact CD1-CG2 3.97Å; T961-T963 PolarHBondContact O-N 3.21Å; T961-T963 PolarHBondContact OG1-N 3.18Å; T961-R964 PolarHBondContact N-O 3.14Å; T961-R964 PolarHBondContact OG1-N 2.74Å; T961-R964 PolarHBondContact OG1-O 2.98Å; T961-F966 HydrophobicContact CG2-CE2 4.32Å
962	H	78.8	Confident	87	Confident	102 Å²	102	48 Å²	48	47%	0.472	24%	0.239	S	C	.	.	S	Bend	trans	-54.4	-14.2	172.7	70.6	-67.5	0	0	0	115.8	K910	K910-H962 HydrophobicContact CB-CB 4.32Å; K910-H962 PolarHBondContact N-CE1 2.98Å; K910-H962 PolarHBondContact N-ND1 3.45Å; K910-H962 PolarHBondContact O-N 2.92Å; K910-H962 PolarHBondContact O-ND1 3.13Å
963	T	75.6	Confident	87.2	Confident	102 Å²	102	47.7 Å²	47.7	63%	0.626	24%	0.238	S	C	*	.	S	Bend	trans	-127.2	-22.3	-178.5	41.3	0	0	0	0	115.5	T961	T961-T963 PolarHBondContact O-N 3.21Å; T961-T963 PolarHBondContact OG1-N 3.18Å
964	R	80.8	Confident	87.3	Confident	111 Å²	111	44.4 Å²	44.4	42%	0.419	22%	0.222	S	C	.	.			trans	-144.4	153.2	-167.2	-65.1	173.4	175.7	-100.8	16.9	112.4	E875 T961 F966	E875-R964 VanDerWaalsContact CD-NH2 3.32Å; E875-R964 IonicContact OE1-CZ 2.65Å; E875-R964 IonicContact OE1-NH1 2.68Å; E875-R964 PolarHBondContact OE1-NH1 3.21Å; E875-R964 IonicContact OE1-NH2 2.68Å; E875-R964 PolarHBondContact OE1-NH2 3.38Å; E875-R964 IonicContact OE2-CZ 3.04Å; E875-R964 VanDerWaalsContact OE2-CZ 3.3Å; E875-R964 IonicContact OE2-NH1 2.65Å; E875-R964 PolarHBondContact OE2-NH1 2.89Å; E875-R964 IonicContact OE2-NH2 2.73Å; E875-R964 PolarHBondContact OE2-NH2 2.88Å; T961-R964 PolarHBondContact N-O 3.14Å; T961-R964 PolarHBondContact OG1-N 2.74Å; T961-R964 PolarHBondContact OG1-O 2.98Å; R964-F966 HydrophobicContact CB-CE2 4.13Å; R964-F966 HydrophobicContact CB-CZ 3.97Å
965	K	87.8	Confident	87.4	Confident	104 Å²	104	43.4 Å²	43.4	45%	0.452	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137.6	172.9	-52.2	-162.5	179.7	-157.9	0	110.8	E915 L959 C960	E915-K965 VanDerWaalsContact OE2-CE 3.24Å; E915-K965 WeakPolarHBondContact OE2-CE 3.27Å; E915-K965 IonicContact OE2-NZ 2.73Å; E915-K965 PolarHBondContact OE2-NZ 3.47Å; L959-K965 CarbonylContact O-C 3.54Å; L959-K965 WeakPolarHBondContact O-CA 3.49Å; C960-K965 HydrophobicContact CB-CG 4.45Å; C960-K965 VanDerWaalsContact SG-CD 3.55Å; C960-K965 VanDerWaalsContact SG-CG 3.59Å
966	F	89.1	Confident	87.4	Confident	24 Å²	24	44.4 Å²	44.4	11%	0.105	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	122.1	179.5	-53.7	-77.6	0	0	0	109.8	L869 L877 Q958 L959 T961 R964	L869-F966 HydrophobicContact CD1-CB 4.26Å; L869-F966 HydrophobicContact CD1-CD1 4.31Å; L869-F966 HydrophobicContact CD1-CG 4.41Å; L869-F966 HydrophobicContact CD2-CB 4.11Å; L869-F966 HydrophobicContact CD2-CD1 4.23Å; L869-F966 HydrophobicContact CD2-CD2 4.01Å; L869-F966 HydrophobicContact CD2-CE2 4.48Å; L869-F966 HydrophobicContact CD2-CG 3.86Å; L877-F966 HydrophobicContact CD2-CE2 4.16Å; Q958-F966 CarbonylContact C-O 3.34Å; Q958-F966 VanDerWaalsContact CA-O 3.31Å; Q958-F966 WeakPolarHBondContact CA-O 3.32Å; L959-F966 PolarHBondContact N-O 3.04Å; L959-F966 PolarHBondContact O-N 3.29Å; T961-F966 HydrophobicContact CG2-CE2 4.32Å; R964-F966 HydrophobicContact CB-CE2 4.13Å; R964-F966 HydrophobicContact CB-CZ 3.97Å
967	F	88.4	Confident	87.5	Confident	151 Å²	151	41.5 Å²	41.5	66%	0.662	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	126.3	175.4	-70.8	-94	0	0	0	110.1	Q958	Q958-F967 HydrophobicContact CG-CD1 3.58Å; Q958-F967 HydrophobicContact CG-CD2 4.31Å; Q958-F967 HydrophobicContact CG-CE1 3.55Å; Q958-F967 HydrophobicContact CG-CE2 4.28Å; Q958-F967 HydrophobicContact CG-CG 3.97Å; Q958-F967 HydrophobicContact CG-CZ 3.91Å
968	V	90	Very high	87.4	Confident	12 Å²	12	41.4 Å²	41.4	7%	0.073	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	159.5	-178.2	-64.8	0	0	0	0	111.3	L868 F957 L959	L868-V968 HydrophobicContact CD1-CB 3.89Å; L868-V968 HydrophobicContact CD1-CG1 4.48Å; L868-V968 HydrophobicContact CD2-CB 4.18Å; L868-V968 HydrophobicContact CD2-CG1 4.47Å; L868-V968 HydrophobicContact CD2-CG2 4.17Å; L868-V968 HydrophobicContact CG-CB 3.82Å; L868-V968 HydrophobicContact CG-CG1 3.97Å; L868-V968 HydrophobicContact CG-CG2 4.36Å; F957-V968 HydrophobicContact CD1-CG2 4.44Å; F957-V968 HydrophobicContact CD2-CG2 3.43Å; F957-V968 VanDerWaalsContact CD2-CG2 3.43Å; F957-V968 HydrophobicContact CE1-CG2 4.27Å; F957-V968 HydrophobicContact CE2-CG2 3.24Å; F957-V968 HydrophobicContact CG-CG2 4.06Å; F957-V968 HydrophobicContact CZ-CG2 3.69Å; F957-V968 PolarHBondContact N-O 3.47Å; F957-V968 PolarHBondContact O-N 2.73Å; F957-V968 VanDerWaalsContact O-O 3.08Å; L959-V968 HydrophobicContact CD1-CG1 4.16Å; L959-V968 HydrophobicContact CD1-CG2 4.09Å; L959-V968 HydrophobicContact CG-CG2 3.88Å
969	S	90.6	Very high	87.4	Confident	52 Å²	52	45.2 Å²	45.2	36%	0.364	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	127.8	-174.9	-164.1	0	0	0	0	110.4	L868 A954 A955 N956	L868-S969 WeakPolarHBondContact CD1-O 3.36Å; A954-S969 WeakPolarHBondContact CB-OG 3.28Å; A955-S969 WeakPolarHBondContact O-CA 3.44Å; N956-S969 WeakPolarHBondContact OD1-CB 3.42Å; N956-S969 PolarHBondContact OD1-OG 3.45Å
970	I	91	Very high	87.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	115.4	176.5	-66.2	-179.8	0	0	0	108.7	L868 Y881 F883 V897 M944 I946 F948 A954 A955 F957	L868-I970 HydrophobicContact CD1-CD1 4.42Å; L868-I970 HydrophobicContact CD1-CG1 3.65Å; L868-I970 HydrophobicContact CD2-CD1 4.16Å; L868-I970 HydrophobicContact CD2-CG1 4.27Å; Y881-I970 HydrophobicContact CD2-CD1 4.3Å; Y881-I970 HydrophobicContact CD2-CG2 4.4Å; Y881-I970 HydrophobicContact CE1-CG1 4.45Å; Y881-I970 HydrophobicContact CE2-CD1 4.43Å; Y881-I970 HydrophobicContact CE2-CG1 4.24Å; Y881-I970 HydrophobicContact CE2-CG2 3.72Å; Y881-I970 HydrophobicContact CG-CD1 4.49Å; F883-I970 HydrophobicContact CZ-CG2 4.17Å; V897-I970 HydrophobicContact CG1-CD1 4.26Å; M944-I970 HydrophobicContact CE-CD1 3.95Å; I946-I970 HydrophobicContact CD1-CB 4.29Å; I946-I970 HydrophobicContact CD1-CD1 4.3Å; I946-I970 HydrophobicContact CD1-CG2 4.06Å; F948-I970 HydrophobicContact CZ-CG2 4.2Å; A954-I970 CarbonylContact C-O 3.4Å; A954-I970 VanDerWaalsContact CA-O 3.28Å; A954-I970 WeakPolarHBondContact CA-O 3.45Å; A955-I970 PolarHBondContact N-O 2.85Å; A955-I970 PolarHBondContact O-N 2.84Å; F957-I970 HydrophobicContact CE1-CB 4.46Å; F957-I970 HydrophobicContact CE1-CD1 3.88Å; F957-I970 HydrophobicContact CE1-CG1 3.95Å; F957-I970 HydrophobicContact CZ-CD1 3.72Å; F957-I970 HydrophobicContact CZ-CG1 4.08Å
971	Q	89.2	Confident	87.6	Confident	117 Å²	117	49 Å²	49	55%	0.547	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-103.6	130.1	172.6	-164.8	175.8	8.6	0	0	110.1	T952 A954	T952-Q971 WeakPolarHBondContact O-CG 3.36Å; T952-Q971 PolarHBondContact O-NE2 2.65Å; A954-Q971 HydrophobicContact CB-CB 3.81Å; A954-Q971 HydrophobicContact CB-CG 4.15Å
972	P	88.4	Confident	87.7	Confident	5 Å²	5	56.5 Å²	56.5	3%	0.032	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-82.4	131	178.1	33.8	-32.9	0	0	0	110.4	F948 L977	F948-P972 HydrophobicContact CB-CG 4.41Å; F948-P972 HydrophobicContact CD1-CB 4.32Å; F948-P972 HydrophobicContact CD1-CG 3.57Å; F948-P972 HydrophobicContact CD2-CB 4.13Å; F948-P972 HydrophobicContact CD2-CG 4.13Å; F948-P972 HydrophobicContact CE1-CB 4.14Å; F948-P972 HydrophobicContact CE1-CG 3.7Å; F948-P972 HydrophobicContact CE2-CB 3.92Å; F948-P972 HydrophobicContact CE2-CG 4.23Å; F948-P972 HydrophobicContact CG-CB 4.31Å; F948-P972 HydrophobicContact CG-CG 3.8Å; F948-P972 HydrophobicContact CZ-CB 3.92Å; F948-P972 HydrophobicContact CZ-CG 4.01Å; P972-L977 HydrophobicContact CB-CD1 4.48Å; P972-L977 HydrophobicContact CB-CD2 3.64Å; P972-L977 HydrophobicContact CB-CG 4.01Å; P972-L977 HydrophobicContact CG-CD1 4.21Å; P972-L977 HydrophobicContact CG-CD2 3.84Å; P972-L977 HydrophobicContact CG-CG 4.24Å
973	P	88.2	Confident	88.1	Confident	34 Å²	34	52.8 Å²	52.8	22%	0.221	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-68.6	148.7	158.5	33.2	-34.9	0	0	0	108.8	F883 G975 E976	F883-P973 HydrophobicContact CE2-CG 4.33Å; P973-G975 PolarHBondContact O-N 2.65Å; P973-E976 HydrophobicContact CG-CB 4.17Å; P973-E976 HydrophobicContact CG-CG 3.61Å; P973-E976 PolarHBondContact O-N 2.68Å
974	V	88.8	Confident	88.7	Confident	4 Å²	4	50.5 Å²	50.5	2%	0.024	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-67.8	-29.7	-166.7	-178.7	0	0	0	0	112.3	T952 E976 L977 I1074 M1077 L1078 D1081	T952-V974 HydrophobicContact CG2-CG2 3.56Å; V974-E976 PolarHBondContact O-N 3.03Å; V974-L977 PolarHBondContact O-N 3.24Å; V974-L977 VanDerWaalsContact O-N 3.16Å; V974-I1074 HydrophobicContact CG1-CB 4.14Å; V974-I1074 HydrophobicContact CG1-CG1 4.07Å; V974-I1074 HydrophobicContact CG1-CG2 3.74Å; V974-M1077 HydrophobicContact CB-CB 4.37Å; V974-M1077 HydrophobicContact CG2-CB 3.55Å; V974-M1077 HydrophobicContact CG2-CG 4.36Å; V974-L1078 HydrophobicContact CG1-CB 4.15Å; V974-D1081 PolarHBondContact N-OD2 2.87Å
975	G	88.2	Confident	89	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-60.1	-19.7	173.6	0	0	0	0	0	115.8	P973 N1026	P973-G975 PolarHBondContact O-N 2.65Å; G975-N1026 WeakPolarHBondContact O-CB 3.19Å; G975-N1026 PolarHBondContact O-N 2.98Å
976	E	90.2	Very high	88.8	Confident	21 Å²	21	47.2 Å²	47.2	10%	0.098	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-97.5	-7.9	179	-58	-68	172.7	0	0	113	F883 R885 P973 V974 M978	F883-E976 HydrophobicContact CB-CB 4.09Å; F883-E976 HydrophobicContact CB-CG 3.82Å; F883-E976 HydrophobicContact CD1-CB 4.01Å; F883-E976 HydrophobicContact CD1-CG 4.42Å; F883-E976 HydrophobicContact CD2-CB 4.29Å; F883-E976 HydrophobicContact CD2-CG 3.85Å; F883-E976 HydrophobicContact CG-CB 3.86Å; F883-E976 HydrophobicContact CG-CG 3.76Å; R885-E976 WeakPolarHBondContact CG-OE2 3.49Å; R885-E976 IonicContact CZ-OE1 3.52Å; R885-E976 VanDerWaalsContact CZ-OE1 3.24Å; R885-E976 IonicContact CZ-OE2 3.19Å; R885-E976 VanDerWaalsContact NE-CD 3.28Å; R885-E976 IonicContact NE-OE1 2.85Å; R885-E976 PolarHBondContact NE-OE1 3.44Å; R885-E976 IonicContact NE-OE2 3.55Å; R885-E976 PolarHBondContact NE-OE2 2.97Å; R885-E976 IonicContact NH2-OE1 3.2Å; R885-E976 PolarHBondContact NH2-OE1 3.17Å; R885-E976 IonicContact NH2-OE2 2.65Å; P973-E976 HydrophobicContact CG-CB 4.17Å; P973-E976 HydrophobicContact CG-CG 3.61Å; P973-E976 PolarHBondContact O-N 2.68Å; V974-E976 PolarHBondContact O-N 3.03Å; E976-M978 PolarHBondContact O-N 3.48Å
977	L	90.4	Very high	88.7	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.016	25%	0.251	C	S	.	.	S	Bend	trans	-79	7.7	168.4	-61.2	-179.2	0	0	0	112.6	V895 F948 P972 V974 T1044 V1045	V895-L977 HydrophobicContact CG2-CD2 4.34Å; F948-L977 HydrophobicContact CB-CD2 3.72Å; F948-L977 HydrophobicContact CD2-CD2 3.56Å; F948-L977 HydrophobicContact CE2-CD2 4.39Å; F948-L977 HydrophobicContact CG-CD2 3.86Å; P972-L977 HydrophobicContact CB-CD1 4.48Å; P972-L977 HydrophobicContact CB-CD2 3.64Å; P972-L977 HydrophobicContact CB-CG 4.01Å; P972-L977 HydrophobicContact CG-CD1 4.21Å; P972-L977 HydrophobicContact CG-CD2 3.84Å; P972-L977 HydrophobicContact CG-CG 4.24Å; V974-L977 PolarHBondContact O-N 3.24Å; V974-L977 VanDerWaalsContact O-N 3.16Å; L977-T1044 WeakPolarHBondContact O-CA 3.27Å; L977-V1045 WeakPolarHBondContact O-CG2 3.48Å; L977-V1045 PolarHBondContact O-N 3.34Å
978	M	89.5	Confident	88.8	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	149	-171.2	-58.7	-54.2	-59.8	0	0	111.4	E976 N1026 L1027 R1043 T1044 V1051	E976-M978 PolarHBondContact O-N 3.48Å; M978-N1026 HydrophobicContact CB-CB 4.43Å; M978-N1026 WeakPolarHBondContact O-CB 3.45Å; M978-N1026 PolarHBondContact O-ND2 3.06Å; M978-L1027 HydrophobicContact CB-CD2 4.25Å; M978-L1027 HydrophobicContact CE-CD2 4.16Å; M978-L1027 HydrophobicContact CG-CD2 4.41Å; M978-R1043 WeakPolarHBondContact CA-O 3.5Å; M978-R1043 WeakPolarHBondContact CE-O 3.28Å; M978-T1044 HydrophobicContact CE-CG2 4.49Å; M978-T1044 HydrophobicContact SD-CG2 4.03Å; M978-V1051 HydrophobicContact CE-CB 3.55Å; M978-V1051 HydrophobicContact CE-CG1 4.3Å; M978-V1051 HydrophobicContact CE-CG2 3.4Å; M978-V1051 VanDerWaalsContact CE-CG2 3.4Å; M978-V1051 HydrophobicContact SD-CG2 4.16Å
979	R	89.8	Confident	88.7	Confident	90 Å²	90	47.1 Å²	47.1	34%	0.34	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	140.6	164.8	48.9	175	165.8	-174.2	-8	110	N1026 G1042 R1043 T1044 V1045	R979-N1026 CarbonylContact C-O 3.55Å; R979-G1042 CarbonylContact O-C 3.16Å; R979-G1042 WeakPolarHBondContact O-CA 3.48Å; R979-R1043 HydrophobicContact CG-CB 4.35Å; R979-R1043 VanDerWaalsContact CG-O 3.25Å; R979-R1043 WeakPolarHBondContact CG-O 3.38Å; R979-R1043 PolarHBondContact N-O 2.84Å; R979-R1043 PolarHBondContact O-N 2.9Å; R979-T1044 PolarHBondContact NE-O 2.89Å; R979-V1045 HydrophobicContact CB-CG2 4.39Å; R979-V1045 HydrophobicContact CG-CG2 4.4Å
980	P	90.3	Very high	88.7	Confident	54 Å²	54	51 Å²	51	35%	0.351	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	142.9	177.6	27.4	-35.1	0	0	0	110.7
981	V	89.4	Confident	88.6	Confident	26 Å²	26	53.3 Å²	53.3	16%	0.158	26%	0.257	C	S	.	.			trans	-137.3	110.9	177.6	175.2	0	0	0	0	109.1	L983 S1028 A1041 R1043	V981-L983 HydrophobicContact CG1-CD2 4.29Å; V981-L983 HydrophobicContact CG1-CG 4.45Å; V981-L983 PolarHBondContact O-N 3.29Å; V981-S1028 PolarHBondContact N-OG 3.12Å; V981-S1028 VanDerWaalsContact N-OG 3.17Å; V981-S1028 PolarHBondContact O-OG 3.43Å; V981-A1041 PolarHBondContact N-O 2.96Å; V981-A1041 WeakPolarHBondContact O-CB 3.36Å; V981-R1043 HydrophobicContact CG2-CB 3.91Å; V981-R1043 HydrophobicContact CG2-CG 3.78Å
982	F	87.8	Confident	88.5	Confident	174 Å²	174	49.6 Å²	49.6	76%	0.763	24%	0.24	S	C	*	.			trans	-64.4	129.6	175.4	-58.4	-79.9	0	0	0	110.1	S1028	F982-S1028 PolarHBondContact N-OG 2.9Å
983	L	87.1	Confident	88.4	Confident	23 Å²	23	51.6 Å²	51.6	12%	0.12	26%	0.261	C	S	.	.			trans	-134.9	149.5	173.2	-64.1	178.7	0	0	0	108.4	V981 E987 V1030 A1041 L1052	V981-L983 HydrophobicContact CG1-CD2 4.29Å; V981-L983 HydrophobicContact CG1-CG 4.45Å; V981-L983 PolarHBondContact O-N 3.29Å; L983-E987 HydrophobicContact CB-CB 4.36Å; L983-E987 HydrophobicContact CD2-CB 4.32Å; L983-V1030 HydrophobicContact CB-CG2 4.42Å; L983-A1041 HydrophobicContact CD1-CB 3.76Å; L983-A1041 HydrophobicContact CG-CB 4.15Å; L983-L1052 HydrophobicContact CD1-CD2 3.79Å
984	T	88.3	Confident	88.4	Confident	54 Å²	54	55.6 Å²	55.6	33%	0.331	28%	0.277	S	S	.	.			trans	-74.4	165.1	165.5	63.3	0	0	0	0	111.3	N986 E987 F988	T984-N986 PolarHBondContact O-N 2.85Å; T984-E987 VanDerWaalsContact CB-OE2 3.29Å; T984-E987 WeakPolarHBondContact CB-OE2 3.49Å; T984-E987 WeakPolarHBondContact CG2-OE2 3.26Å; T984-E987 PolarHBondContact N-OE2 3.19Å; T984-E987 PolarHBondContact O-N 3.44Å; T984-E987 VanDerWaalsContact OG1-CD 3.31Å; T984-E987 VanDerWaalsContact OG1-CG 3.3Å; T984-E987 WeakPolarHBondContact OG1-CG 3.43Å; T984-E987 PolarHBondContact OG1-N 2.93Å; T984-E987 PolarHBondContact OG1-OE2 3.43Å; T984-F988 WeakPolarHBondContact O-CB 3.44Å; T984-F988 PolarHBondContact O-N 2.97Å
985	E	86.3	Confident	88.2	Confident	47 Å²	47	56 Å²	56	22%	0.22	28%	0.279	C	S	.	.	H	α-helix	trans	-62.7	-29.3	177.2	-154.5	-170.7	135.9	0	0	112.5	K989 C1032 G1033 R1039	E985-K989 WeakPolarHBondContact O-CG 3.25Å; E985-K989 PolarHBondContact O-N 2.93Å; E985-K989 WeakPolarHBondContact OE1-CE 3.47Å; E985-K989 IonicContact OE1-NZ 2.71Å; E985-K989 PolarHBondContact OE1-NZ 3.47Å; E985-C1032 WeakPolarHBondContact OE2-CA 3.41Å; E985-G1033 PolarHBondContact OE2-N 2.99Å; E985-R1039 IonicContact OE1-CZ 3.75Å; E985-R1039 IonicContact OE1-NH1 2.85Å; E985-R1039 PolarHBondContact OE1-NH1 3.28Å; E985-R1039 IonicContact OE1-NH2 2.71Å
986	N	85	Confident	87.9	Confident	99 Å²	99	61.6 Å²	61.6	53%	0.529	31%	0.306	S	S	.	.	H	α-helix	trans	-75.3	-45.4	179.1	-67.3	-30.9	0	0	0	111.6	T984 K989 K990	T984-N986 PolarHBondContact O-N 2.85Å; N986-K989 PolarHBondContact O-N 3.18Å; N986-K990 WeakPolarHBondContact O-CB 3.33Å; N986-K990 PolarHBondContact O-N 3.45Å
987	E	86.8	Confident	87.4	Confident	90 Å²	90	63.1 Å²	63.1	42%	0.421	33%	0.328	S	S	.	.	H	α-helix	trans	-62.3	-44.7	174.2	-69.1	162.7	127.6	0	0	110.9	L983 T984 K989 K990 E991	L983-E987 HydrophobicContact CB-CB 4.36Å; L983-E987 HydrophobicContact CD2-CB 4.32Å; T984-E987 VanDerWaalsContact CB-OE2 3.29Å; T984-E987 WeakPolarHBondContact CB-OE2 3.49Å; T984-E987 WeakPolarHBondContact CG2-OE2 3.26Å; T984-E987 PolarHBondContact N-OE2 3.19Å; T984-E987 PolarHBondContact O-N 3.44Å; T984-E987 VanDerWaalsContact OG1-CD 3.31Å; T984-E987 VanDerWaalsContact OG1-CG 3.3Å; T984-E987 WeakPolarHBondContact OG1-CG 3.43Å; T984-E987 PolarHBondContact OG1-N 2.93Å; T984-E987 PolarHBondContact OG1-OE2 3.43Å; E987-K989 VanDerWaalsContact C-N 3.31Å; E987-K989 PolarHBondContact O-N 3.37Å; E987-K990 WeakPolarHBondContact O-CB 3.49Å; E987-K990 PolarHBondContact O-N 2.71Å; E987-K990 VanDerWaalsContact O-N 3.11Å; E987-E991 WeakPolarHBondContact O-CG 3.46Å; E987-E991 PolarHBondContact O-N 3.16Å
988	F	90.5	Very high	86.9	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-54	-46.8	177.2	-175.1	-84.8	0	0	0	112	T984 Q992 V1030 R1039 A1041 L1052	T984-F988 WeakPolarHBondContact O-CB 3.44Å; T984-F988 PolarHBondContact O-N 2.97Å; F988-Q992 WeakPolarHBondContact O-CB 3.5Å; F988-Q992 PolarHBondContact O-N 3.03Å; F988-V1030 HydrophobicContact CB-CG1 4.06Å; F988-V1030 HydrophobicContact CD2-CB 4.37Å; F988-V1030 HydrophobicContact CD2-CG1 4.22Å; F988-V1030 HydrophobicContact CD2-CG2 3.86Å; F988-V1030 HydrophobicContact CE2-CG2 4.36Å; F988-V1030 HydrophobicContact CG-CG1 4.28Å; F988-R1039 HydrophobicContact CD1-CG 4.47Å; F988-R1039 HydrophobicContact CE1-CB 4.17Å; F988-R1039 HydrophobicContact CE1-CG 3.91Å; F988-R1039 HydrophobicContact CE2-CB 4.07Å; F988-R1039 HydrophobicContact CZ-CB 3.87Å; F988-R1039 HydrophobicContact CZ-CG 4.01Å; F988-A1041 HydrophobicContact CD2-CB 4.49Å; F988-L1052 HydrophobicContact CD2-CB 4.5Å; F988-L1052 HydrophobicContact CD2-CD1 4.47Å; F988-L1052 HydrophobicContact CD2-CD2 3.84Å; F988-L1052 HydrophobicContact CD2-CG 4.5Å; F988-L1052 HydrophobicContact CE2-CB 3.74Å; F988-L1052 HydrophobicContact CE2-CD1 4.43Å; F988-L1052 HydrophobicContact CE2-CD2 3.83Å; F988-L1052 HydrophobicContact CE2-CG 4.2Å; F988-L1052 HydrophobicContact CZ-CB 3.94Å
989	K	87.9	Confident	86.7	Confident	96 Å²	96	73.5 Å²	73.5	42%	0.417	38%	0.38	S	S	.	.	H	α-helix	trans	-67.7	-37.9	177.7	-70.5	172	-171	165.6	0	112.8	E985 N986 E987 G993	E985-K989 WeakPolarHBondContact O-CG 3.25Å; E985-K989 PolarHBondContact O-N 2.93Å; E985-K989 WeakPolarHBondContact OE1-CE 3.47Å; E985-K989 IonicContact OE1-NZ 2.71Å; E985-K989 PolarHBondContact OE1-NZ 3.47Å; N986-K989 PolarHBondContact O-N 3.18Å; E987-K989 VanDerWaalsContact C-N 3.31Å; E987-K989 PolarHBondContact O-N 3.37Å; K989-G993 PolarHBondContact O-N 3.28Å
990	K	89.9	Confident	86.7	Confident	134 Å²	134	72.2 Å²	72.2	58%	0.583	38%	0.377	S	S	*	.	H	α-helix	trans	-64	-45.5	177	179.6	-172.1	164.8	-102.1	0	111.6	N986 E987 G993 Q994	N986-K990 WeakPolarHBondContact O-CB 3.33Å; N986-K990 PolarHBondContact O-N 3.45Å; E987-K990 WeakPolarHBondContact O-CB 3.49Å; E987-K990 PolarHBondContact O-N 2.71Å; E987-K990 VanDerWaalsContact O-N 3.11Å; K990-G993 PolarHBondContact O-N 3.21Å; K990-Q994 PolarHBondContact O-N 2.98Å; K990-Q994 PolarHBondContact O-NE2 3.47Å
991	E	87.9	Confident	86.7	Confident	47 Å²	47	70.9 Å²	70.9	22%	0.22	37%	0.367	C	S	.	.	H	α-helix	trans	-75.6	-36.6	179.6	-58.1	-53.8	117.3	0	0	111.4	E987 G993 Q994 L995 L1050 L1052	E987-E991 WeakPolarHBondContact O-CG 3.46Å; E987-E991 PolarHBondContact O-N 3.16Å; E991-G993 VanDerWaalsContact C-N 3.32Å; E991-G993 PolarHBondContact O-N 3.44Å; E991-Q994 PolarHBondContact O-N 2.97Å; E991-Q994 PolarHBondContact OE1-NE2 3.33Å; E991-Q994 PolarHBondContact OE2-NE2 3.08Å; E991-L995 WeakPolarHBondContact O-CG 3.13Å; E991-L995 PolarHBondContact O-N 3.29Å; E991-L1050 HydrophobicContact CB-CD2 3.59Å; E991-L1050 HydrophobicContact CG-CD2 4.04Å; E991-L1052 HydrophobicContact CB-CD1 4.06Å
992	Q	87.6	Confident	86.7	Confident	40 Å²	40	72.3 Å²	72.3	19%	0.187	38%	0.376	C	S	.	.	H	α-helix	trans	-59.5	-42.1	170.1	-178.6	166.5	51	0	0	111.5	F988 Q994 L995 M996 L1052 T1054 N1068	F988-Q992 WeakPolarHBondContact O-CB 3.5Å; F988-Q992 PolarHBondContact O-N 3.03Å; Q992-Q994 VanDerWaalsContact C-N 3.26Å; Q992-Q994 PolarHBondContact O-N 3.46Å; Q992-L995 CarbonylContact O-C 3.56Å; Q992-L995 PolarHBondContact O-N 3.43Å; Q992-M996 WeakPolarHBondContact O-CG 3.48Å; Q992-M996 PolarHBondContact O-N 2.7Å; Q992-L1052 HydrophobicContact CB-CD1 3.89Å; Q992-T1054 PolarHBondContact NE2-OG1 3.32Å; Q992-N1068 PolarHBondContact NE2-OD1 3.17Å
993	G	87.3	Confident	86.8	Confident	46 Å²	46	68.5 Å²	68.5	47%	0.474	36%	0.361	S	S	.	.	H	α-helix	trans	-60.7	-29.7	175.6	0	0	0	0	0	114.4	K989 K990 E991	K989-G993 PolarHBondContact O-N 3.28Å; K990-G993 PolarHBondContact O-N 3.21Å; E991-G993 VanDerWaalsContact C-N 3.32Å; E991-G993 PolarHBondContact O-N 3.44Å
994	Q	86.9	Confident	86.8	Confident	118 Å²	118	75.3 Å²	75.3	55%	0.551	39%	0.389	S	S	*	.	H	α-helix	trans	-79.5	-20.8	173.6	-71.5	163.5	92.7	0	0	112.7	K990 E991 Q992	K990-Q994 PolarHBondContact O-N 2.98Å; K990-Q994 PolarHBondContact O-NE2 3.47Å; E991-Q994 PolarHBondContact O-N 2.97Å; E991-Q994 PolarHBondContact OE1-NE2 3.33Å; E991-Q994 PolarHBondContact OE2-NE2 3.08Å; Q992-Q994 VanDerWaalsContact C-N 3.26Å; Q992-Q994 PolarHBondContact O-N 3.46Å
995	L	84.3	Confident	86.6	Confident	14 Å²	14	73.3 Å²	73.3	7%	0.073	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	21.8	-176.2	-62.2	174.6	0	0	0	113.3	E991 Q992 N999 L1050 L1052 N1068 E1070	E991-L995 WeakPolarHBondContact O-CG 3.13Å; E991-L995 PolarHBondContact O-N 3.29Å; Q992-L995 CarbonylContact O-C 3.56Å; Q992-L995 PolarHBondContact O-N 3.43Å; L995-N999 HydrophobicContact CB-CB 4.46Å; L995-N999 HydrophobicContact CD2-CB 4.43Å; L995-N999 CarbonylContact O-C 3.57Å; L995-L1050 HydrophobicContact CD1-CB 4.43Å; L995-L1050 HydrophobicContact CD1-CD2 4.24Å; L995-L1052 HydrophobicContact CD1-CD1 4.5Å; L995-N1068 HydrophobicContact CB-CB 3.86Å; L995-N1068 PolarHBondContact O-ND2 3.43Å; L995-E1070 HydrophobicContact CD2-CG 3.86Å
996	M	81.9	Confident	86.4	Confident	117 Å²	117	76.1 Å²	76.1	58%	0.576	40%	0.397	S	S	*	.			trans	-78.9	162.5	173.5	-59.9	-161.5	73.7	0	0	112.2	Q992 M998	Q992-M996 WeakPolarHBondContact O-CG 3.48Å; Q992-M996 PolarHBondContact O-N 2.7Å; M996-M998 PolarHBondContact O-N 3.34Å
997	G	81	Confident	86.1	Confident	53 Å²	53	71.9 Å²	71.9	55%	0.546	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	80.4	-115.1	175.1	0	0	0	0	0	112.4	N999 E1000	G997-N999 PolarHBondContact O-N 3.01Å; G997-N999 VanDerWaalsContact O-N 3.17Å; G997-E1000 PolarHBondContact O-N 3.33Å; G997-E1000 VanDerWaalsContact O-N 3.13Å
998	M	79	Confident	85.3	Confident	172 Å²	172	70.6 Å²	70.6	85%	0.847	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-64.7	-20	-173.7	-71.2	-171.6	176.8	0	0	114.4	M996 M1072	M996-M998 PolarHBondContact O-N 3.34Å; M998-M1072 WeakPolarHBondContact O-CE 3.29Å; M998-M1072 VanDerWaalsContact O-SD 3.39Å
999	N	85.8	Confident	84.1	Confident	50 Å²	50	74.1 Å²	74.1	27%	0.267	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-100	10	179	-66.2	-13.6	0	0	0	113	L995 G997 N1068 C1069	L995-N999 HydrophobicContact CB-CB 4.46Å; L995-N999 HydrophobicContact CD2-CB 4.43Å; L995-N999 CarbonylContact O-C 3.57Å; G997-N999 PolarHBondContact O-N 3.01Å; G997-N999 VanDerWaalsContact O-N 3.17Å; N999-N1068 CarbonylContact O-C 3.51Å; N999-N1068 WeakPolarHBondContact O-CA 3.39Å; N999-C1069 PolarHBondContact O-N 3.35Å
1000	E	90.4	Very high	82.8	Confident	62 Å²	62	77.9 Å²	77.9	29%	0.29	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.4	-177.9	-173.7	-177.4	153.5	0	0	111.5	G997 T1002 T1066	G997-E1000 PolarHBondContact O-N 3.33Å; G997-E1000 VanDerWaalsContact O-N 3.13Å; E1000-T1002 PolarHBondContact OE1-OG1 3.04Å; E1000-T1066 HydrophobicContact CG-CG2 3.84Å
1001	I	89.4	Confident	81.3	Confident	27 Å²	27	71.7 Å²	71.7	14%	0.138	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	120	173.8	-53.1	163.1	0	0	0	108.1	T1066 I1067 M1072 G1075 T1076 V1079	I1001-T1066 CarbonylContact O-C 3.57Å; I1001-T1066 WeakPolarHBondContact O-CA 3.19Å; I1001-I1067 PolarHBondContact N-O 3.23Å; I1001-I1067 PolarHBondContact O-N 3Å; I1001-M1072 HydrophobicContact CD1-CE 3.9Å; I1001-M1072 HydrophobicContact CD1-SD 3.99Å; I1001-M1072 HydrophobicContact CG1-CE 3.58Å; I1001-M1072 HydrophobicContact CG1-SD 4.07Å; I1001-G1075 VanDerWaalsContact CD1-C 3.42Å; I1001-T1076 HydrophobicContact CD1-CG2 3.59Å; I1001-T1076 VanDerWaalsContact CD1-N 3.33Å; I1001-V1079 HydrophobicContact CB-CG2 4.17Å; I1001-V1079 HydrophobicContact CG2-CG2 3.84Å
1002	T	89.7	Confident	80.4	Confident	56 Å²	56	76.6 Å²	76.6	34%	0.344	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	125.1	-177.7	-78.4	0	0	0	0	110.4	E1000 Q1064 L1065 T1066	E1000-T1002 PolarHBondContact OE1-OG1 3.04Å; T1002-Q1064 HydrophobicContact CG2-CG 3.78Å; T1002-L1065 CarbonylContact C-O 3.59Å; T1002-L1065 WeakPolarHBondContact CA-O 3.43Å; T1002-T1066 WeakPolarHBondContact OG1-CB 3.49Å; T1002-T1066 WeakPolarHBondContact OG1-CG2 3.48Å; T1002-T1066 PolarHBondContact OG1-OG1 3.49Å
1003	E	89.3	Confident	79.7	Confident	93 Å²	93	79.9 Å²	79.9	44%	0.435	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	156.5	176.5	-91.7	-65.7	-176.1	0	0	112.7	Q1064 L1065 V1079	E1003-Q1064 WeakPolarHBondContact O-CA 3.3Å; E1003-L1065 PolarHBondContact N-O 3.43Å; E1003-L1065 PolarHBondContact O-N 3.42Å; E1003-V1079 HydrophobicContact CB-CG1 4.09Å; E1003-V1079 HydrophobicContact CG-CG1 3.82Å
1004	K	87.4	Confident	79.2	Confident	167 Å²	167	80.2 Å²	80.2	73%	0.726	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	131.6	179.7	-66.8	177	-174.8	169.8	0	110.6
1005	L	85	Confident	78.8	Confident	12 Å²	12	80.6 Å²	80.6	6%	0.063	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	160.2	-175.9	69	93.5	0	0	0	112	L1007 A1063 L1065 L1083 L1086	L1005-L1007 HydrophobicContact CD1-CD2 3.59Å; L1005-L1007 HydrophobicContact CD1-CG 3.83Å; L1005-A1063 HydrophobicContact CD1-CB 3.9Å; L1005-A1063 HydrophobicContact CG-CB 4.16Å; L1005-A1063 PolarHBondContact N-O 2.98Å; L1005-A1063 PolarHBondContact O-N 3.36Å; L1005-A1063 VanDerWaalsContact O-O 3.11Å; L1005-L1065 HydrophobicContact CD2-CB 3.86Å; L1005-L1083 HydrophobicContact CB-CD1 3.42Å; L1005-L1083 VanDerWaalsContact CB-CD1 3.42Å; L1005-L1083 HydrophobicContact CD2-CD1 3.75Å; L1005-L1083 HydrophobicContact CG-CD1 4.19Å; L1005-L1086 HydrophobicContact CD1-CB 4.46Å; L1005-L1086 HydrophobicContact CD2-CD1 4.14Å
1006	T	81.2	Confident	78.7	Confident	106 Å²	106	81 Å²	81	65%	0.65	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.3	171.4	41	0	0	0	0	109.2
1007	L	78.6	Confident	78.8	Confident	10 Å²	10	75.5 Å²	75.5	5%	0.052	39%	0.394	C	S	.	.			trans	-80.6	130.6	-179.8	-69.2	169.9	0	0	0	110.5	L1005 C1011 I1017 T1057 G1061 A1063 L1086	L1005-L1007 HydrophobicContact CD1-CD2 3.59Å; L1005-L1007 HydrophobicContact CD1-CG 3.83Å; L1007-C1011 HydrophobicContact CD2-CB 4.31Å; L1007-I1017 HydrophobicContact CD1-CD1 3.86Å; L1007-I1017 HydrophobicContact CD1-CG1 4.44Å; L1007-T1057 HydrophobicContact CD1-CG2 4.04Å; L1007-G1061 PolarHBondContact N-O 2.84Å; L1007-A1063 HydrophobicContact CD1-CB 3.87Å; L1007-A1063 HydrophobicContact CG-CB 3.99Å; L1007-L1086 HydrophobicContact CD2-CB 4.13Å; L1007-L1086 HydrophobicContact CD2-CD2 4.29Å
1008	D	71.1	Confident	79	Confident	62 Å²	62	74.1 Å²	74.1	33%	0.332	37%	0.374	S	S	.	.			trans	-55.1	152.7	170.1	176.3	51.5	0	0	0	110.9	K1010 C1011 R1012	D1008-K1010 PolarHBondContact O-N 2.86Å; D1008-K1010 VanDerWaalsContact OD2-CB 3.24Å; D1008-K1010 WeakPolarHBondContact OD2-CB 3.38Å; D1008-K1010 WeakPolarHBondContact OD2-CD 3.42Å; D1008-K1010 VanDerWaalsContact OD2-CG 3.27Å; D1008-K1010 WeakPolarHBondContact OD2-CG 3.49Å; D1008-K1010 PolarHBondContact OD2-N 3.12Å; D1008-C1011 PolarHBondContact O-N 3.44Å; D1008-R1012 WeakPolarHBondContact O-CG 3.34Å
1009	A	64.2	Low	79.2	Confident	75 Å²	75	70.7 Å²	70.7	62%	0.62	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-52.3	-30.6	178.2	0	0	0	0	0	113.5
1010	K	60.2	Low	79.2	Confident	175 Å²	175	72.1 Å²	72.1	76%	0.761	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-78.9	-23.9	176.6	-58.2	164.7	-169.6	160.4	0	113.5	D1008	D1008-K1010 PolarHBondContact O-N 2.86Å; D1008-K1010 VanDerWaalsContact OD2-CB 3.24Å; D1008-K1010 WeakPolarHBondContact OD2-CB 3.38Å; D1008-K1010 WeakPolarHBondContact OD2-CD 3.42Å; D1008-K1010 VanDerWaalsContact OD2-CG 3.27Å; D1008-K1010 WeakPolarHBondContact OD2-CG 3.49Å; D1008-K1010 PolarHBondContact OD2-N 3.12Å
1011	C	59.6	Low	79.1	Confident	3 Å²	3	69.1 Å²	69.1	2%	0.02	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-96	11.4	-175	-67	0	0	0	0	113.5	L1007 D1008 N1013 I1017	L1007-C1011 HydrophobicContact CD2-CB 4.31Å; D1008-C1011 PolarHBondContact O-N 3.44Å; C1011-N1013 VanDerWaalsContact C-N 3.34Å; C1011-N1013 PolarHBondContact O-N 3.32Å; C1011-I1017 VanDerWaalsContact O-CG1 3.3Å; C1011-I1017 WeakPolarHBondContact O-CG1 3.44Å
1012	R	68.2	Low	78.9	Confident	150 Å²	150	69.8 Å²	69.8	57%	0.566	35%	0.35	S	S	*	.			trans	-79.7	-7.4	-179.7	-67	178.8	177.1	-152.5	-11.8	115.2	D1008 E1060	D1008-R1012 WeakPolarHBondContact O-CG 3.34Å; R1012-E1060 PolarHBondContact NH2-O 3.44Å; R1012-E1060 VanDerWaalsContact NH2-O 3.16Å
1013	N	74.3	Confident	78.7	Confident	110 Å²	110	70.2 Å²	70.2	59%	0.588	35%	0.352	S	S	*	.	S	Bend	trans	-96.6	138.2	179.6	-168.9	3.1	0	0	0	110.3	C1011 H1015 A1016 I1017	C1011-N1013 VanDerWaalsContact C-N 3.34Å; C1011-N1013 PolarHBondContact O-N 3.32Å; N1013-H1015 VanDerWaalsContact C-N 3.31Å; N1013-H1015 PolarHBondContact O-N 2.67Å; N1013-A1016 HydrophobicContact CB-CB 4.42Å; N1013-A1016 WeakPolarHBondContact O-CA 3.25Å; N1013-A1016 WeakPolarHBondContact O-CB 3.45Å; N1013-A1016 PolarHBondContact O-N 3.32Å; N1013-I1017 PolarHBondContact O-N 3.37Å; N1013-I1017 VanDerWaalsContact O-N 3.13Å
1014	E	75.6	Confident	78.6	Confident	52 Å²	52	66.9 Å²	66.9	24%	0.243	34%	0.34	C	S	.	.	H	α-helix	trans	-54.8	-45	-175.4	-166	-147	-133	0	0	112.1	A1016 I1017 V1018 R1029 C1038	E1014-A1016 PolarHBondContact O-N 3.04Å; E1014-I1017 PolarHBondContact O-N 2.9Å; E1014-V1018 WeakPolarHBondContact O-CG2 3.46Å; E1014-V1018 PolarHBondContact O-N 3Å; E1014-R1029 VanDerWaalsContact CD-NH1 3.31Å; E1014-R1029 VanDerWaalsContact CD-NH2 3.26Å; E1014-R1029 IonicContact OE1-CZ 2.7Å; E1014-R1029 IonicContact OE1-NH1 2.62Å; E1014-R1029 IonicContact OE1-NH2 3.06Å; E1014-R1029 PolarHBondContact OE1-NH2 3.47Å; E1014-R1029 IonicContact OE2-CZ 3.87Å; E1014-R1029 IonicContact OE2-NH1 3.34Å; E1014-R1029 PolarHBondContact OE2-NH1 3.07Å; E1014-R1029 IonicContact OE2-NH2 2.73Å; E1014-R1029 PolarHBondContact OE2-NH2 3.09Å; E1014-C1038 VanDerWaalsContact CG-SG 3.52Å
1015	H	79.8	Confident	78.7	Confident	126 Å²	126	58.9 Å²	58.9	58%	0.583	31%	0.306	S	S	*	.	H	α-helix	trans	-58.5	-34.9	175.5	-174.1	-67.2	0	0	0	112.7	N1013 Q1019	N1013-H1015 VanDerWaalsContact C-N 3.31Å; N1013-H1015 PolarHBondContact O-N 2.67Å; H1015-Q1019 WeakPolarHBondContact O-CB 3.42Å; H1015-Q1019 PolarHBondContact O-N 2.68Å
1016	A	81.1	Confident	79	Confident	22 Å²	22	59.5 Å²	59.5	18%	0.182	31%	0.309	C	S	.	.	H	α-helix	trans	-71.6	-42.5	178	0	0	0	0	0	111.2	N1013 E1014 Q1019 R1020	N1013-A1016 HydrophobicContact CB-CB 4.42Å; N1013-A1016 WeakPolarHBondContact O-CA 3.25Å; N1013-A1016 WeakPolarHBondContact O-CB 3.45Å; N1013-A1016 PolarHBondContact O-N 3.32Å; E1014-A1016 PolarHBondContact O-N 3.04Å; A1016-Q1019 PolarHBondContact O-N 2.91Å; A1016-R1020 WeakPolarHBondContact O-CB 3.48Å; A1016-R1020 VanDerWaalsContact O-CG 3.31Å; A1016-R1020 WeakPolarHBondContact O-CG 3.24Å; A1016-R1020 PolarHBondContact O-N 2.77Å
1017	I	83.6	Confident	79.5	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.015	28%	0.28	C	S	.	.	H	α-helix	trans	-58.6	-50.7	174	-60.7	174	0	0	0	109.8	L1007 C1011 N1013 E1014 Q1019 R1020 V1021 C1038 V1055 T1057 L1086	L1007-I1017 HydrophobicContact CD1-CD1 3.86Å; L1007-I1017 HydrophobicContact CD1-CG1 4.44Å; C1011-I1017 VanDerWaalsContact O-CG1 3.3Å; C1011-I1017 WeakPolarHBondContact O-CG1 3.44Å; N1013-I1017 PolarHBondContact O-N 3.37Å; N1013-I1017 VanDerWaalsContact O-N 3.13Å; E1014-I1017 PolarHBondContact O-N 2.9Å; I1017-Q1019 PolarHBondContact O-N 2.62Å; I1017-R1020 PolarHBondContact O-N 3.04Å; I1017-V1021 HydrophobicContact CG2-CG2 4.35Å; I1017-V1021 VanDerWaalsContact O-CG2 3.32Å; I1017-V1021 WeakPolarHBondContact O-CG2 3.46Å; I1017-V1021 PolarHBondContact O-N 3.05Å; I1017-C1038 HydrophobicContact CG2-CB 4.27Å; I1017-V1055 HydrophobicContact CG2-CB 4.25Å; I1017-V1055 HydrophobicContact CG2-CG1 3.97Å; I1017-V1055 HydrophobicContact CG2-CG2 4.49Å; I1017-T1057 HydrophobicContact CD1-CG2 3.72Å; I1017-L1086 HydrophobicContact CG2-CD2 4.12Å
1018	V	85.8	Confident	80	Confident	23 Å²	23	54.9 Å²	54.9	14%	0.139	28%	0.281	C	S	.	.	H	α-helix	trans	-57.1	-51.7	177.8	170.4	0	0	0	0	110.9	E1014 R1020 V1021 T1022 F1040	E1014-V1018 WeakPolarHBondContact O-CG2 3.46Å; E1014-V1018 PolarHBondContact O-N 3Å; V1018-R1020 VanDerWaalsContact C-N 3.35Å; V1018-R1020 PolarHBondContact O-N 3.21Å; V1018-V1021 PolarHBondContact O-N 3.39Å; V1018-T1022 HydrophobicContact CG1-CG2 4.42Å; V1018-T1022 WeakPolarHBondContact O-CG2 3.3Å; V1018-T1022 PolarHBondContact O-N 3.15Å; V1018-T1022 PolarHBondContact O-OG1 2.86Å; V1018-F1040 HydrophobicContact CB-CE1 4.34Å; V1018-F1040 HydrophobicContact CB-CZ 4.44Å; V1018-F1040 HydrophobicContact CG1-CE1 4.25Å; V1018-F1040 HydrophobicContact CG2-CE1 4.12Å; V1018-F1040 HydrophobicContact CG2-CZ 4Å
1019	Q	84.3	Confident	80.9	Confident	100 Å²	100	56.1 Å²	56.1	47%	0.467	28%	0.281	S	S	.	.	H	α-helix	trans	-61	-40.1	179.9	-175.1	177.3	1.1	0	0	112.6	H1015 A1016 I1017 T1022 T1023	H1015-Q1019 WeakPolarHBondContact O-CB 3.42Å; H1015-Q1019 PolarHBondContact O-N 2.68Å; A1016-Q1019 PolarHBondContact O-N 2.91Å; I1017-Q1019 PolarHBondContact O-N 2.62Å; Q1019-T1022 PolarHBondContact O-OG1 3.33Å; Q1019-T1023 VanDerWaalsContact O-CB 3.27Å; Q1019-T1023 WeakPolarHBondContact O-CB 3.08Å; Q1019-T1023 PolarHBondContact O-N 2.83Å; Q1019-T1023 PolarHBondContact O-OG1 3.27Å
1020	R	84.9	Confident	82	Confident	80 Å²	80	52.6 Å²	52.6	30%	0.302	25%	0.252	S	S	.	.	H	α-helix	trans	-66.9	-47	176.3	-72.1	-54	-163.6	96.1	2.5	111.8	A1016 I1017 V1018 T1023 A1024 A1085 L1086 Q1088	A1016-R1020 WeakPolarHBondContact O-CB 3.48Å; A1016-R1020 VanDerWaalsContact O-CG 3.31Å; A1016-R1020 WeakPolarHBondContact O-CG 3.24Å; A1016-R1020 PolarHBondContact O-N 2.77Å; I1017-R1020 PolarHBondContact O-N 3.04Å; V1018-R1020 VanDerWaalsContact C-N 3.35Å; V1018-R1020 PolarHBondContact O-N 3.21Å; R1020-T1023 PolarHBondContact O-N 3.21Å; R1020-A1024 WeakPolarHBondContact O-CB 3.38Å; R1020-A1024 PolarHBondContact O-N 3.31Å; R1020-A1085 WeakPolarHBondContact CB-O 3.27Å; R1020-A1085 WeakPolarHBondContact CG-O 3.49Å; R1020-A1085 PolarHBondContact NH1-O 2.79Å; R1020-L1086 HydrophobicContact CB-CD2 4.01Å; R1020-Q1088 VanDerWaalsContact NH1-C 3.29Å; R1020-Q1088 PolarHBondContact NH1-OXT 2.89Å; R1020-Q1088 VanDerWaalsContact NH2-C 3.29Å; R1020-Q1088 PolarHBondContact NH2-O 2.7Å; R1020-Q1088 PolarHBondContact NH2-OXT 3.11Å
1021	V	87.7	Confident	83	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.6	-46.4	179	175.4	0	0	0	0	111.3	I1017 V1018 T1023 A1024 A1025 F1040 V1055 I1082 L1086	I1017-V1021 HydrophobicContact CG2-CG2 4.35Å; I1017-V1021 VanDerWaalsContact O-CG2 3.32Å; I1017-V1021 WeakPolarHBondContact O-CG2 3.46Å; I1017-V1021 PolarHBondContact O-N 3.05Å; V1018-V1021 PolarHBondContact O-N 3.39Å; V1021-T1023 VanDerWaalsContact C-N 3.26Å; V1021-T1023 PolarHBondContact O-N 2.61Å; V1021-A1024 PolarHBondContact O-N 2.69Å; V1021-A1025 PolarHBondContact O-N 3.07Å; V1021-F1040 HydrophobicContact CB-CD1 4.48Å; V1021-F1040 HydrophobicContact CB-CE1 3.97Å; V1021-F1040 HydrophobicContact CB-CE2 4.02Å; V1021-F1040 HydrophobicContact CB-CZ 3.72Å; V1021-F1040 HydrophobicContact CG1-CD1 3.92Å; V1021-F1040 HydrophobicContact CG1-CD2 3.77Å; V1021-F1040 HydrophobicContact CG1-CE1 3.9Å; V1021-F1040 HydrophobicContact CG1-CE2 3.77Å; V1021-F1040 HydrophobicContact CG1-CG 3.86Å; V1021-F1040 HydrophobicContact CG1-CZ 3.83Å; V1021-F1040 HydrophobicContact CG2-CE2 4Å; V1021-F1040 HydrophobicContact CG2-CZ 4Å; V1021-V1055 HydrophobicContact CG2-CG2 4.31Å; V1021-I1082 HydrophobicContact CG1-CD1 4.32Å; V1021-I1082 HydrophobicContact CG2-CG2 4.08Å; V1021-L1086 HydrophobicContact CG2-CD1 4.41Å; V1021-L1086 HydrophobicContact CG2-CD2 4.26Å
1022	T	86.6	Confident	83.7	Confident	41 Å²	41	48.4 Å²	48.4	25%	0.252	24%	0.243	S	C	.	.	H	α-helix	trans	-71.2	-20.7	177.8	61.4	0	0	0	0	113	R885 V1018 Q1019 A1025 F1040	R885-T1022 PolarHBondContact NH1-O 2.8Å; V1018-T1022 HydrophobicContact CG1-CG2 4.42Å; V1018-T1022 WeakPolarHBondContact O-CG2 3.3Å; V1018-T1022 PolarHBondContact O-N 3.15Å; V1018-T1022 PolarHBondContact O-OG1 2.86Å; Q1019-T1022 PolarHBondContact O-OG1 3.33Å; T1022-A1025 CarbonylContact C-O 3.6Å; T1022-A1025 WeakPolarHBondContact CA-O 3.44Å; T1022-F1040 HydrophobicContact CG2-CD1 4.28Å; T1022-F1040 HydrophobicContact CG2-CE1 4.19Å
1023	T	85.3	Confident	83.4	Confident	64 Å²	64	43.8 Å²	43.8	39%	0.393	24%	0.241	S	C	.	.	H	α-helix	trans	-75.3	-42.5	169.1	-57.6	0	0	0	0	110.5	R885 Q1019 R1020 V1021	R885-T1023 PolarHBondContact NH2-O 3.37Å; Q1019-T1023 VanDerWaalsContact O-CB 3.27Å; Q1019-T1023 WeakPolarHBondContact O-CB 3.08Å; Q1019-T1023 PolarHBondContact O-N 2.83Å; Q1019-T1023 PolarHBondContact O-OG1 3.27Å; R1020-T1023 PolarHBondContact O-N 3.21Å; V1021-T1023 VanDerWaalsContact C-N 3.26Å; V1021-T1023 PolarHBondContact O-N 2.61Å
1024	A	86.9	Confident	83.2	Confident	23 Å²	23	40.6 Å²	40.6	19%	0.19	23%	0.228	C	C	.	.	H	α-helix	trans	-68.7	-34.8	179.6	0	0	0	0	0	113.8	R1020 V1021 I1082 A1085	R1020-A1024 WeakPolarHBondContact O-CB 3.38Å; R1020-A1024 PolarHBondContact O-N 3.31Å; V1021-A1024 PolarHBondContact O-N 2.69Å; A1024-I1082 HydrophobicContact CB-CG1 4.29Å; A1024-A1085 HydrophobicContact CB-CB 3.6Å
1025	A	89.6	Confident	82.6	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	-144.1	144.6	-177.5	0	0	0	0	0	113.4	V1021 T1022 L1027 L1078	V1021-A1025 PolarHBondContact O-N 3.07Å; T1022-A1025 CarbonylContact C-O 3.6Å; T1022-A1025 WeakPolarHBondContact CA-O 3.44Å; A1025-L1027 HydrophobicContact CB-CD1 4Å; A1025-L1027 HydrophobicContact CB-CG 3.91Å; A1025-L1027 PolarHBondContact O-N 2.95Å; A1025-L1078 HydrophobicContact CB-CD1 3.8Å
1026	N	91.1	Very high	82.3	Confident	25 Å²	25	44.3 Å²	44.3	13%	0.134	25%	0.248	C	C	.	.			trans	-79.5	65.8	-178.5	-167.3	30.6	0	0	0	111.8	R885 G975 M978 R979	R885-N1026 HydrophobicContact CG-CB 4.29Å; G975-N1026 WeakPolarHBondContact O-CB 3.19Å; G975-N1026 PolarHBondContact O-N 2.98Å; M978-N1026 HydrophobicContact CB-CB 4.43Å; M978-N1026 WeakPolarHBondContact O-CB 3.45Å; M978-N1026 PolarHBondContact O-ND2 3.06Å; R979-N1026 CarbonylContact C-O 3.55Å
1027	L	90.7	Very high	82.5	Confident	9 Å²	9	46.3 Å²	46.3	5%	0.047	25%	0.254	C	S	.	.			trans	-115.2	147.2	-178.3	-53.7	175.5	0	0	0	110.3	M978 A1025 F1040 V1053	M978-L1027 HydrophobicContact CB-CD2 4.25Å; M978-L1027 HydrophobicContact CE-CD2 4.16Å; M978-L1027 HydrophobicContact CG-CD2 4.41Å; A1025-L1027 HydrophobicContact CB-CD1 4Å; A1025-L1027 HydrophobicContact CB-CG 3.91Å; A1025-L1027 PolarHBondContact O-N 2.95Å; L1027-F1040 HydrophobicContact CB-CB 3.99Å; L1027-F1040 HydrophobicContact CD1-CB 4.07Å; L1027-V1053 HydrophobicContact CD1-CB 4.26Å; L1027-V1053 HydrophobicContact CD1-CG2 3.63Å
1028	S	90.3	Very high	82.6	Confident	10 Å²	10	46.3 Å²	46.3	7%	0.07	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	140.5	168.7	45.5	0	0	0	0	110.6	V981 F982 V1030 F1040 A1041	V981-S1028 PolarHBondContact N-OG 3.12Å; V981-S1028 VanDerWaalsContact N-OG 3.17Å; V981-S1028 PolarHBondContact O-OG 3.43Å; F982-S1028 PolarHBondContact N-OG 2.9Å; S1028-V1030 PolarHBondContact O-N 2.71Å; S1028-F1040 CarbonylContact O-C 3.6Å; S1028-F1040 VanDerWaalsContact O-CA 3.24Å; S1028-F1040 WeakPolarHBondContact O-CA 3.44Å; S1028-A1041 PolarHBondContact N-O 3.02Å; S1028-A1041 PolarHBondContact O-N 2.92Å; S1028-A1041 PolarHBondContact OG-O 3.19Å; S1028-A1041 VanDerWaalsContact OG-O 3.13Å
1029	R	89.2	Confident	82.9	Confident	87 Å²	87	46.1 Å²	46.1	33%	0.328	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	131.4	165.7	179.7	178.3	173.9	162.7	5.6	109.4	E1014 F1040	E1014-R1029 VanDerWaalsContact CD-NH1 3.31Å; E1014-R1029 VanDerWaalsContact CD-NH2 3.26Å; E1014-R1029 IonicContact OE1-CZ 2.7Å; E1014-R1029 IonicContact OE1-NH1 2.62Å; E1014-R1029 IonicContact OE1-NH2 3.06Å; E1014-R1029 PolarHBondContact OE1-NH2 3.47Å; E1014-R1029 IonicContact OE2-CZ 3.87Å; E1014-R1029 IonicContact OE2-NH1 3.34Å; E1014-R1029 PolarHBondContact OE2-NH1 3.07Å; E1014-R1029 IonicContact OE2-NH2 2.73Å; E1014-R1029 PolarHBondContact OE2-NH2 3.09Å; R1029-F1040 HydrophobicContact CB-CD1 4.27Å; R1029-F1040 HydrophobicContact CB-CE1 4.41Å
1030	V	87.7	Confident	83.4	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	135.9	171.8	173.9	0	0	0	0	108.4	L983 F988 S1028 C1032 R1039 A1041	L983-V1030 HydrophobicContact CB-CG2 4.42Å; F988-V1030 HydrophobicContact CB-CG1 4.06Å; F988-V1030 HydrophobicContact CD2-CB 4.37Å; F988-V1030 HydrophobicContact CD2-CG1 4.22Å; F988-V1030 HydrophobicContact CD2-CG2 3.86Å; F988-V1030 HydrophobicContact CE2-CG2 4.36Å; F988-V1030 HydrophobicContact CG-CG1 4.28Å; S1028-V1030 PolarHBondContact O-N 2.71Å; V1030-C1032 PolarHBondContact O-N 2.69Å; V1030-R1039 HydrophobicContact CB-CB 4.07Å; V1030-R1039 PolarHBondContact N-O 3.41Å; V1030-A1041 HydrophobicContact CG2-CB 3.66Å
1031	P	81.1	Confident	83.8	Confident	77 Å²	77	37.5 Å²	37.5	50%	0.5	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-56.9	132.6	171.8	-24	34.6	0	0	0	110.8
1032	C	73.8	Confident	84	Confident	14 Å²	14	37.5 Å²	37.5	10%	0.095	21%	0.214	C	C	.	.			trans	-139.4	128.8	179.2	-172.4	0	0	0	0	109.5	E985 V1030 S1034 R1039	E985-C1032 WeakPolarHBondContact OE2-CA 3.41Å; V1030-C1032 PolarHBondContact O-N 2.69Å; C1032-S1034 PolarHBondContact O-N 2.9Å; C1032-S1034 VanDerWaalsContact O-N 3.09Å; C1032-S1034 PolarHBondContact SG-OG 2.73Å; C1032-R1039 PolarHBondContact SG-NH1 3.32Å
1033	G	61.8	Low	84.3	Confident	52 Å²	52	40.7 Å²	40.7	54%	0.536	22%	0.222	S	C	.	.	S	Bend	trans	-74.1	16.9	-178.7	0	0	0	0	0	116.7	E985	E985-G1033 PolarHBondContact OE2-N 2.99Å
1034	S	69.7	Low	84.5	Confident	43 Å²	43	37.7 Å²	37.7	30%	0.301	20%	0.203	S	C	.	.			trans	-148.2	117.1	-174.5	58.5	0	0	0	0	114.1	C1032 K1036 E1037	C1032-S1034 PolarHBondContact O-N 2.9Å; C1032-S1034 VanDerWaalsContact O-N 3.09Å; C1032-S1034 PolarHBondContact SG-OG 2.73Å; S1034-K1036 PolarHBondContact O-N 3.46Å; S1034-E1037 PolarHBondContact O-N 3.42Å
1035	D	63.5	Low	84.6	Confident	143 Å²	143	37.2 Å²	37.2	77%	0.765	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-17.8	178.5	-48.1	9.5	0	0	0	114.7
1036	K	74.1	Confident	84.4	Confident	113 Å²	113	39 Å²	39	49%	0.491	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-15	178.5	-66.9	-164.7	174.9	-168.1	0	114	S1034 T1057 E1059	S1034-K1036 PolarHBondContact O-N 3.46Å; K1036-T1057 WeakPolarHBondContact CA-OG1 3.15Å; K1036-T1057 PolarHBondContact O-N 2.88Å; K1036-T1057 PolarHBondContact O-OG1 3.17Å; K1036-E1059 IonicContact NZ-OE1 3.49Å; K1036-E1059 PolarHBondContact NZ-OE1 3.27Å
1037	E	84.1	Confident	84.1	Confident	64 Å²	64	40.6 Å²	40.6	30%	0.299	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	118.7	-177.1	-72.6	-175.8	-155	0	0	112.9	S1034 R1039 A1056	S1034-E1037 PolarHBondContact O-N 3.42Å; E1037-R1039 IonicContact OE2-CZ 3.1Å; E1037-R1039 IonicContact OE2-NE 2.74Å; E1037-R1039 PolarHBondContact OE2-NE 3.08Å; E1037-R1039 IonicContact OE2-NH2 2.61Å; E1037-R1039 PolarHBondContact OE2-NH2 3.34Å; E1037-A1056 HydrophobicContact CG-CB 4.07Å
1038	C	87.4	Confident	83.9	Confident	3 Å²	3	41.2 Å²	41.2	2%	0.02	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	128.2	168.6	-68	0	0	0	0	110.2	E1014 I1017 F1040 T1054 V1055	E1014-C1038 VanDerWaalsContact CG-SG 3.52Å; I1017-C1038 HydrophobicContact CG2-CB 4.27Å; C1038-F1040 HydrophobicContact CB-CE2 3.6Å; C1038-F1040 HydrophobicContact CB-CZ 3.78Å; C1038-T1054 CarbonylContact O-C 3.58Å; C1038-T1054 WeakPolarHBondContact O-CA 3.4Å; C1038-V1055 HydrophobicContact CB-CB 4.31Å; C1038-V1055 PolarHBondContact N-O 3.41Å; C1038-V1055 PolarHBondContact O-N 3.28Å
1039	R	91.4	Very high	83.8	Confident	19 Å²	19	41.5 Å²	41.5	7%	0.072	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	140.1	178.9	-64.7	175.6	-168	150.2	7.6	110.7	E985 F988 V1030 C1032 E1037 V1053 T1054	E985-R1039 IonicContact OE1-CZ 3.75Å; E985-R1039 IonicContact OE1-NH1 2.85Å; E985-R1039 PolarHBondContact OE1-NH1 3.28Å; E985-R1039 IonicContact OE1-NH2 2.71Å; F988-R1039 HydrophobicContact CD1-CG 4.47Å; F988-R1039 HydrophobicContact CE1-CB 4.17Å; F988-R1039 HydrophobicContact CE1-CG 3.91Å; F988-R1039 HydrophobicContact CE2-CB 4.07Å; F988-R1039 HydrophobicContact CZ-CB 3.87Å; F988-R1039 HydrophobicContact CZ-CG 4.01Å; V1030-R1039 HydrophobicContact CB-CB 4.07Å; V1030-R1039 PolarHBondContact N-O 3.41Å; C1032-R1039 PolarHBondContact SG-NH1 3.32Å; E1037-R1039 IonicContact OE2-CZ 3.1Å; E1037-R1039 IonicContact OE2-NE 2.74Å; E1037-R1039 PolarHBondContact OE2-NE 3.08Å; E1037-R1039 IonicContact OE2-NH2 2.61Å; E1037-R1039 PolarHBondContact OE2-NH2 3.34Å; R1039-V1053 CarbonylContact C-O 3.51Å; R1039-V1053 WeakPolarHBondContact CA-O 3.3Å; R1039-T1054 HydrophobicContact CG-CG2 4.18Å
1040	F	93.9	Very high	83.9	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	145.2	-177.4	-46.3	-99.2	0	0	0	110.7	V1018 V1021 T1022 L1027 S1028 R1029 C1038 V1053 V1055	V1018-F1040 HydrophobicContact CB-CE1 4.34Å; V1018-F1040 HydrophobicContact CB-CZ 4.44Å; V1018-F1040 HydrophobicContact CG1-CE1 4.25Å; V1018-F1040 HydrophobicContact CG2-CE1 4.12Å; V1018-F1040 HydrophobicContact CG2-CZ 4Å; V1021-F1040 HydrophobicContact CB-CD1 4.48Å; V1021-F1040 HydrophobicContact CB-CE1 3.97Å; V1021-F1040 HydrophobicContact CB-CE2 4.02Å; V1021-F1040 HydrophobicContact CB-CZ 3.72Å; V1021-F1040 HydrophobicContact CG1-CD1 3.92Å; V1021-F1040 HydrophobicContact CG1-CD2 3.77Å; V1021-F1040 HydrophobicContact CG1-CE1 3.9Å; V1021-F1040 HydrophobicContact CG1-CE2 3.77Å; V1021-F1040 HydrophobicContact CG1-CG 3.86Å; V1021-F1040 HydrophobicContact CG1-CZ 3.83Å; V1021-F1040 HydrophobicContact CG2-CE2 4Å; V1021-F1040 HydrophobicContact CG2-CZ 4Å; T1022-F1040 HydrophobicContact CG2-CD1 4.28Å; T1022-F1040 HydrophobicContact CG2-CE1 4.19Å; L1027-F1040 HydrophobicContact CB-CB 3.99Å; L1027-F1040 HydrophobicContact CD1-CB 4.07Å; S1028-F1040 CarbonylContact O-C 3.6Å; S1028-F1040 VanDerWaalsContact O-CA 3.24Å; S1028-F1040 WeakPolarHBondContact O-CA 3.44Å; R1029-F1040 HydrophobicContact CB-CD1 4.27Å; R1029-F1040 HydrophobicContact CB-CE1 4.41Å; C1038-F1040 HydrophobicContact CB-CE2 3.6Å; C1038-F1040 HydrophobicContact CB-CZ 3.78Å; F1040-V1053 HydrophobicContact CB-CB 4.31Å; F1040-V1053 HydrophobicContact CD2-CB 4.4Å; F1040-V1053 HydrophobicContact CD2-CG1 4.32Å; F1040-V1053 PolarHBondContact N-O 3.16Å; F1040-V1053 PolarHBondContact O-N 3.11Å; F1040-V1055 HydrophobicContact CE2-CG2 4.29Å
1041	A	93.2	Very high	84.1	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	146.7	-177.7	0	0	0	0	0	112.2	V981 L983 F988 S1028 V1030 L1052	V981-A1041 PolarHBondContact N-O 2.96Å; V981-A1041 WeakPolarHBondContact O-CB 3.36Å; L983-A1041 HydrophobicContact CD1-CB 3.76Å; L983-A1041 HydrophobicContact CG-CB 4.15Å; F988-A1041 HydrophobicContact CD2-CB 4.49Å; S1028-A1041 PolarHBondContact N-O 3.02Å; S1028-A1041 PolarHBondContact O-N 2.92Å; S1028-A1041 PolarHBondContact OG-O 3.19Å; S1028-A1041 VanDerWaalsContact OG-O 3.13Å; V1030-A1041 HydrophobicContact CG2-CB 3.66Å; A1041-L1052 HydrophobicContact CB-CD2 3.85Å
1042	G	93	Very high	84.7	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	174.9	173.9	0	0	0	0	0	111.7	R979 V1051	R979-G1042 CarbonylContact O-C 3.16Å; R979-G1042 WeakPolarHBondContact O-CA 3.48Å; G1042-V1051 PolarHBondContact N-O 3.05Å; G1042-V1051 PolarHBondContact O-N 3.19Å
1043	R	91.9	Very high	85.6	Confident	108 Å²	108	33.7 Å²	33.7	41%	0.408	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	152.6	171.3	-77.8	175.5	-175.5	176.2	1.6	110	M978 R979 V981 G1048 S1049 L1050	M978-R1043 WeakPolarHBondContact CA-O 3.5Å; M978-R1043 WeakPolarHBondContact CE-O 3.28Å; R979-R1043 HydrophobicContact CG-CB 4.35Å; R979-R1043 VanDerWaalsContact CG-O 3.25Å; R979-R1043 WeakPolarHBondContact CG-O 3.38Å; R979-R1043 PolarHBondContact N-O 2.84Å; R979-R1043 PolarHBondContact O-N 2.9Å; V981-R1043 HydrophobicContact CG2-CB 3.91Å; V981-R1043 HydrophobicContact CG2-CG 3.78Å; R1043-G1048 VanDerWaalsContact CD-O 3.25Å; R1043-G1048 WeakPolarHBondContact CD-O 3.09Å; R1043-G1048 VanDerWaalsContact CG-O 3.27Å; R1043-G1048 WeakPolarHBondContact CG-O 3.09Å; R1043-S1049 CarbonylContact C-O 3.58Å; R1043-S1049 VanDerWaalsContact CA-O 3.22Å; R1043-S1049 WeakPolarHBondContact CA-O 3.48Å; R1043-L1050 HydrophobicContact CG-CD1 3.89Å
1044	T	90.8	Very high	87	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	152.2	170.2	64.7	0	0	0	0	110.6	D950 L977 M978 R979 S1047 G1048 S1049 I1074	D950-T1044 WeakPolarHBondContact OD1-CB 3.43Å; D950-T1044 PolarHBondContact OD2-OG1 3.25Å; L977-T1044 WeakPolarHBondContact O-CA 3.27Å; M978-T1044 HydrophobicContact CE-CG2 4.49Å; M978-T1044 HydrophobicContact SD-CG2 4.03Å; R979-T1044 PolarHBondContact NE-O 2.89Å; T1044-S1047 PolarHBondContact OG1-N 2.76Å; T1044-S1047 PolarHBondContact OG1-OG 2.89Å; T1044-G1048 WeakPolarHBondContact O-CA 3.47Å; T1044-G1048 PolarHBondContact O-N 3.04Å; T1044-G1048 PolarHBondContact OG1-N 2.9Å; T1044-S1049 PolarHBondContact N-O 3.18Å; T1044-S1049 PolarHBondContact OG1-N 3Å; T1044-S1049 VanDerWaalsContact OG1-N 3.09Å; T1044-I1074 HydrophobicContact CG2-CD1 3.85Å
1045	V	87.9	Confident	88	Confident	13 Å²	13	29.8 Å²	29.8	8%	0.079	16%	0.156	C	C	.	.	S	Bend	trans	-73.9	-42.6	-179.4	170.7	0	0	0	0	111.1	V895 L977 R979	V895-V1045 HydrophobicContact CG2-CB 4.27Å; V895-V1045 HydrophobicContact CG2-CG1 4.09Å; V895-V1045 HydrophobicContact CG2-CG2 4.33Å; L977-V1045 WeakPolarHBondContact O-CG2 3.48Å; L977-V1045 PolarHBondContact O-N 3.34Å; R979-V1045 HydrophobicContact CB-CG2 4.39Å; R979-V1045 HydrophobicContact CG-CG2 4.4Å
1046	T	85.4	Confident	89.2	Confident	37 Å²	37	24 Å²	24	23%	0.227	13%	0.127	C	C	.	.	S	Bend	trans	-84.3	-57.1	-177.3	-44.2	0	0	0	0	113.1	D947 C949 D950	D947-T1046 WeakPolarHBondContact OD1-CG2 3.46Å; D947-T1046 PolarHBondContact OD1-OG1 2.97Å; C949-T1046 PolarHBondContact N-OG1 3.38Å; D950-T1046 WeakPolarHBondContact OD1-CB 3.38Å; D950-T1046 PolarHBondContact OD1-N 3.38Å
1047	S	84.5	Confident	89.6	Confident	60 Å²	60	20.3 Å²	20.3	42%	0.42	12%	0.115	S	C	.	.	S	Bend	trans	-83.4	-19.6	-178.5	73.7	0	0	0	0	115.2	D950 T1044 S1049 K1071	D950-S1047 WeakPolarHBondContact OD2-CB 3.18Å; D950-S1047 PolarHBondContact OD2-N 2.95Å; D950-S1047 PolarHBondContact OD2-OG 3.06Å; T1044-S1047 PolarHBondContact OG1-N 2.76Å; T1044-S1047 PolarHBondContact OG1-OG 2.89Å; S1047-S1049 PolarHBondContact O-N 3.35Å; S1047-S1049 WeakPolarHBondContact OG-CB 3.42Å; S1047-S1049 PolarHBondContact OG-N 3.41Å; S1047-S1049 PolarHBondContact OG-OG 2.84Å; S1047-K1071 VanDerWaalsContact CB-NZ 3.33Å; S1047-K1071 VanDerWaalsContact OG-CE 3.29Å; S1047-K1071 WeakPolarHBondContact OG-CE 3.24Å; S1047-K1071 PolarHBondContact OG-NZ 3.29Å
1048	G	86.6	Confident	89.4	Confident	21 Å²	21	24.7 Å²	24.7	22%	0.216	13%	0.128	C	C	.	.			trans	72.6	11.5	-171.6	0	0	0	0	0	114.6	R1043 T1044	R1043-G1048 VanDerWaalsContact CD-O 3.25Å; R1043-G1048 WeakPolarHBondContact CD-O 3.09Å; R1043-G1048 VanDerWaalsContact CG-O 3.27Å; R1043-G1048 WeakPolarHBondContact CG-O 3.09Å; T1044-G1048 WeakPolarHBondContact O-CA 3.47Å; T1044-G1048 PolarHBondContact O-N 3.04Å; T1044-G1048 PolarHBondContact OG1-N 2.9Å
1049	S	89.4	Confident	88.6	Confident	16 Å²	16	31.6 Å²	31.6	11%	0.112	16%	0.161	C	C	.	.			trans	-57.5	137.5	176.3	-76.6	0	0	0	0	111	R1043 T1044 S1047 E1070	R1043-S1049 CarbonylContact C-O 3.58Å; R1043-S1049 VanDerWaalsContact CA-O 3.22Å; R1043-S1049 WeakPolarHBondContact CA-O 3.48Å; T1044-S1049 PolarHBondContact N-O 3.18Å; T1044-S1049 PolarHBondContact OG1-N 3Å; T1044-S1049 VanDerWaalsContact OG1-N 3.09Å; S1047-S1049 PolarHBondContact O-N 3.35Å; S1047-S1049 WeakPolarHBondContact OG-CB 3.42Å; S1047-S1049 PolarHBondContact OG-N 3.41Å; S1047-S1049 PolarHBondContact OG-OG 2.84Å; S1049-E1070 WeakPolarHBondContact CA-OE2 3.49Å; S1049-E1070 WeakPolarHBondContact CB-OE2 3.35Å; S1049-E1070 PolarHBondContact OG-OE2 3.21Å
1050	L	90.4	Very high	87.2	Confident	15 Å²	15	39.8 Å²	39.8	8%	0.079	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	139.5	-175.8	-168.3	69.6	0	0	0	111.6	E991 L995 R1043 L1052	E991-L1050 HydrophobicContact CB-CD2 3.59Å; E991-L1050 HydrophobicContact CG-CD2 4.04Å; L995-L1050 HydrophobicContact CD1-CB 4.43Å; L995-L1050 HydrophobicContact CD1-CD2 4.24Å; R1043-L1050 HydrophobicContact CG-CD1 3.89Å; L1050-L1052 HydrophobicContact CD1-CD2 4.21Å; L1050-L1052 HydrophobicContact CD2-CD1 4.21Å; L1050-L1052 HydrophobicContact CD2-CD2 4Å; L1050-L1052 HydrophobicContact CD2-CG 4.14Å; L1050-L1052 HydrophobicContact CG-CD2 3.96Å; L1050-L1052 HydrophobicContact CG-CG 4.19Å
1051	V	92.6	Very high	86	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	122.9	173.4	-178	0	0	0	0	109.1	M978 G1042 V1053 I1067 N1068 C1069 I1074 L1078	M978-V1051 HydrophobicContact CE-CB 3.55Å; M978-V1051 HydrophobicContact CE-CG1 4.3Å; M978-V1051 HydrophobicContact CE-CG2 3.4Å; M978-V1051 VanDerWaalsContact CE-CG2 3.4Å; M978-V1051 HydrophobicContact SD-CG2 4.16Å; G1042-V1051 PolarHBondContact N-O 3.05Å; G1042-V1051 PolarHBondContact O-N 3.19Å; V1051-V1053 HydrophobicContact CG1-CG2 4.39Å; V1051-I1067 HydrophobicContact CG1-CG2 4.08Å; V1051-N1068 WeakPolarHBondContact CA-O 3.39Å; V1051-C1069 HydrophobicContact CG1-CB 4.45Å; V1051-C1069 HydrophobicContact CG2-CB 4.2Å; V1051-I1074 HydrophobicContact CG2-CG2 4.49Å; V1051-L1078 HydrophobicContact CG1-CD2 3.69Å
1052	L	93.3	Very high	85.4	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	134.5	178.5	-53.3	178.3	0	0	0	108.8	L983 F988 E991 Q992 L995 A1041 L1050 I1067 N1068	L983-L1052 HydrophobicContact CD1-CD2 3.79Å; F988-L1052 HydrophobicContact CD2-CB 4.5Å; F988-L1052 HydrophobicContact CD2-CD1 4.47Å; F988-L1052 HydrophobicContact CD2-CD2 3.84Å; F988-L1052 HydrophobicContact CD2-CG 4.5Å; F988-L1052 HydrophobicContact CE2-CB 3.74Å; F988-L1052 HydrophobicContact CE2-CD1 4.43Å; F988-L1052 HydrophobicContact CE2-CD2 3.83Å; F988-L1052 HydrophobicContact CE2-CG 4.2Å; F988-L1052 HydrophobicContact CZ-CB 3.94Å; E991-L1052 HydrophobicContact CB-CD1 4.06Å; Q992-L1052 HydrophobicContact CB-CD1 3.89Å; L995-L1052 HydrophobicContact CD1-CD1 4.5Å; A1041-L1052 HydrophobicContact CB-CD2 3.85Å; L1050-L1052 HydrophobicContact CD1-CD2 4.21Å; L1050-L1052 HydrophobicContact CD2-CD1 4.21Å; L1050-L1052 HydrophobicContact CD2-CD2 4Å; L1050-L1052 HydrophobicContact CD2-CG 4.14Å; L1050-L1052 HydrophobicContact CG-CD2 3.96Å; L1050-L1052 HydrophobicContact CG-CG 4.19Å; L1052-I1067 WeakPolarHBondContact O-CA 3.38Å; L1052-N1068 HydrophobicContact CB-CB 4.31Å; L1052-N1068 PolarHBondContact N-O 2.87Å; L1052-N1068 PolarHBondContact O-N 3.04Å
1053	V	93.3	Very high	85	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.4	180	-179.8	0	0	0	0	109.1	L1027 R1039 F1040 V1051 L1065 I1067 L1078 I1082	L1027-V1053 HydrophobicContact CD1-CB 4.26Å; L1027-V1053 HydrophobicContact CD1-CG2 3.63Å; R1039-V1053 CarbonylContact C-O 3.51Å; R1039-V1053 WeakPolarHBondContact CA-O 3.3Å; F1040-V1053 HydrophobicContact CB-CB 4.31Å; F1040-V1053 HydrophobicContact CD2-CB 4.4Å; F1040-V1053 HydrophobicContact CD2-CG1 4.32Å; F1040-V1053 PolarHBondContact N-O 3.16Å; F1040-V1053 PolarHBondContact O-N 3.11Å; V1051-V1053 HydrophobicContact CG1-CG2 4.39Å; V1053-L1065 HydrophobicContact CG1-CD1 3.73Å; V1053-I1067 HydrophobicContact CB-CG1 4.47Å; V1053-I1067 HydrophobicContact CG1-CD1 4.37Å; V1053-I1067 HydrophobicContact CG1-CG1 4.16Å; V1053-I1067 HydrophobicContact CG2-CD1 3.96Å; V1053-I1067 HydrophobicContact CG2-CG1 4Å; V1053-I1067 HydrophobicContact CG2-CG2 4.28Å; V1053-L1078 HydrophobicContact CG2-CD2 4.26Å; V1053-I1082 HydrophobicContact CG1-CD1 4.1Å; V1053-I1082 HydrophobicContact CG2-CD1 4.28Å
1054	T	91.7	Very high	84.9	Confident	13 Å²	13	39.5 Å²	39.5	8%	0.08	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	128.7	175.2	-52.7	0	0	0	0	109.3	Q992 C1038 R1039 T1066	Q992-T1054 PolarHBondContact NE2-OG1 3.32Å; C1038-T1054 CarbonylContact O-C 3.58Å; C1038-T1054 WeakPolarHBondContact O-CA 3.4Å; R1039-T1054 HydrophobicContact CG-CG2 4.18Å; T1054-T1066 PolarHBondContact N-O 3.06Å; T1054-T1066 PolarHBondContact O-N 2.93Å
1055	V	90.7	Very high	85	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	101	171.2	-175.5	0	0	0	0	107.8	I1017 V1021 C1038 F1040 Q1064 L1065 L1086	I1017-V1055 HydrophobicContact CG2-CB 4.25Å; I1017-V1055 HydrophobicContact CG2-CG1 3.97Å; I1017-V1055 HydrophobicContact CG2-CG2 4.49Å; V1021-V1055 HydrophobicContact CG2-CG2 4.31Å; C1038-V1055 HydrophobicContact CB-CB 4.31Å; C1038-V1055 PolarHBondContact N-O 3.41Å; C1038-V1055 PolarHBondContact O-N 3.28Å; F1040-V1055 HydrophobicContact CE2-CG2 4.29Å; V1055-Q1064 WeakPolarHBondContact CA-O 3.22Å; V1055-L1065 HydrophobicContact CG2-CD1 3.91Å; V1055-L1086 HydrophobicContact CG1-CD1 4.37Å; V1055-L1086 HydrophobicContact CG2-CD1 4.35Å
1056	A	88	Confident	85.1	Confident	21 Å²	21	39.4 Å²	39.4	17%	0.174	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.6	179.4	0	0	0	0	0	110.1	E1037 A1063 Q1064	E1037-A1056 HydrophobicContact CG-CB 4.07Å; A1056-A1063 CarbonylContact O-C 3.53Å; A1056-A1063 WeakPolarHBondContact O-CA 3.36Å; A1056-Q1064 PolarHBondContact N-O 2.87Å; A1056-Q1064 PolarHBondContact O-N 3.42Å
1057	T	83.2	Confident	85.5	Confident	37 Å²	37	37.7 Å²	37.7	23%	0.227	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	141.6	179.1	62.8	0	0	0	0	111.3	L1007 I1017 K1036	L1007-T1057 HydrophobicContact CD1-CG2 4.04Å; I1017-T1057 HydrophobicContact CD1-CG2 3.72Å; K1036-T1057 WeakPolarHBondContact CA-OG1 3.15Å; K1036-T1057 PolarHBondContact O-N 2.88Å; K1036-T1057 PolarHBondContact O-OG1 3.17Å
1058	R	79.4	Confident	85.9	Confident	155 Å²	155	34.8 Å²	34.8	59%	0.585	18%	0.183	S	C	*	.			trans	-120.4	170.8	176.9	-58.1	-177.1	-179.3	-131.9	2.9	109.3	A1062	R1058-A1062 WeakPolarHBondContact CA-O 3.34Å; R1058-A1062 HydrophobicContact CB-CB 4.45Å; R1058-A1062 WeakPolarHBondContact CB-O 3.26Å; R1058-A1062 PolarHBondContact N-O 3.24Å
1059	E	69.4	Low	86.1	Confident	149 Å²	149	33.8 Å²	33.8	70%	0.696	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-65.1	160.1	179	-77.2	152.2	-148.8	0	0	111.7	K1036 G1061	K1036-E1059 IonicContact NZ-OE1 3.49Å; K1036-E1059 PolarHBondContact NZ-OE1 3.27Å; E1059-G1061 PolarHBondContact O-N 3.46Å
1060	E	63.6	Low	85.9	Confident	190 Å²	190	37.9 Å²	37.9	89%	0.888	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	62	-4.9	-170.1	-52.8	-165.9	138.2	0	0	117	R1012	R1012-E1060 PolarHBondContact NH2-O 3.44Å; R1012-E1060 VanDerWaalsContact NH2-O 3.16Å
1061	G	67.1	Low	85.8	Confident	15 Å²	15	40.4 Å²	40.4	16%	0.155	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	98.3	11.7	177	0	0	0	0	0	114.5	L1007 E1059	L1007-G1061 PolarHBondContact N-O 2.84Å; E1059-G1061 PolarHBondContact O-N 3.46Å
1062	A	80.8	Confident	85.4	Confident	41 Å²	41	43.7 Å²	43.7	34%	0.339	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	143.4	161.4	0	0	0	0	0	110	R1058	R1058-A1062 WeakPolarHBondContact CA-O 3.34Å; R1058-A1062 HydrophobicContact CB-CB 4.45Å; R1058-A1062 WeakPolarHBondContact CB-O 3.26Å; R1058-A1062 PolarHBondContact N-O 3.24Å
1063	A	85.3	Confident	85	Confident	4 Å²	4	48.4 Å²	48.4	3%	0.033	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	161.5	175.5	0	0	0	0	0	110.9	L1005 L1007 A1056	L1005-A1063 HydrophobicContact CD1-CB 3.9Å; L1005-A1063 HydrophobicContact CG-CB 4.16Å; L1005-A1063 PolarHBondContact N-O 2.98Å; L1005-A1063 PolarHBondContact O-N 3.36Å; L1005-A1063 VanDerWaalsContact O-O 3.11Å; L1007-A1063 HydrophobicContact CD1-CB 3.87Å; L1007-A1063 HydrophobicContact CG-CB 3.99Å; A1056-A1063 CarbonylContact O-C 3.53Å; A1056-A1063 WeakPolarHBondContact O-CA 3.36Å
1064	Q	89.8	Confident	84.7	Confident	42 Å²	42	48.5 Å²	48.5	20%	0.196	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	122.9	178.8	-178.9	179.7	-31.8	0	0	108.4	T1002 E1003 V1055 A1056	T1002-Q1064 HydrophobicContact CG2-CG 3.78Å; E1003-Q1064 WeakPolarHBondContact O-CA 3.3Å; V1055-Q1064 WeakPolarHBondContact CA-O 3.22Å; A1056-Q1064 PolarHBondContact N-O 2.87Å; A1056-Q1064 PolarHBondContact O-N 3.42Å
1065	L	91.8	Very high	84.5	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	117.4	175.1	171.5	63.8	0	0	0	107.8	T1002 E1003 L1005 V1053 V1055 I1067 V1079 I1082 L1083	T1002-L1065 CarbonylContact C-O 3.59Å; T1002-L1065 WeakPolarHBondContact CA-O 3.43Å; E1003-L1065 PolarHBondContact N-O 3.43Å; E1003-L1065 PolarHBondContact O-N 3.42Å; L1005-L1065 HydrophobicContact CD2-CB 3.86Å; V1053-L1065 HydrophobicContact CG1-CD1 3.73Å; V1055-L1065 HydrophobicContact CG2-CD1 3.91Å; L1065-I1067 HydrophobicContact CD1-CD1 4.39Å; L1065-I1067 HydrophobicContact CD1-CG1 4.15Å; L1065-I1067 HydrophobicContact CG-CG1 4.38Å; L1065-V1079 HydrophobicContact CD2-CG1 4.26Å; L1065-I1082 HydrophobicContact CD1-CG2 3.9Å; L1065-I1082 HydrophobicContact CD2-CB 4.08Å; L1065-I1082 HydrophobicContact CD2-CG2 3.85Å; L1065-L1083 HydrophobicContact CD2-CB 4.49Å
1066	T	91.4	Very high	84.3	Confident	12 Å²	12	50.4 Å²	50.4	7%	0.074	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.4	176	-63.8	0	0	0	0	108.9	E1000 I1001 T1002 T1054	E1000-T1066 HydrophobicContact CG-CG2 3.84Å; I1001-T1066 CarbonylContact O-C 3.57Å; I1001-T1066 WeakPolarHBondContact O-CA 3.19Å; T1002-T1066 WeakPolarHBondContact OG1-CB 3.49Å; T1002-T1066 WeakPolarHBondContact OG1-CG2 3.48Å; T1002-T1066 PolarHBondContact OG1-OG1 3.49Å; T1054-T1066 PolarHBondContact N-O 3.06Å; T1054-T1066 PolarHBondContact O-N 2.93Å
1067	I	93.3	Very high	84.4	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.6	175.8	-56.8	-164.6	0	0	0	108.9	I1001 V1051 L1052 V1053 L1065 C1069 L1078 V1079 I1082	I1001-I1067 PolarHBondContact N-O 3.23Å; I1001-I1067 PolarHBondContact O-N 3Å; V1051-I1067 HydrophobicContact CG1-CG2 4.08Å; L1052-I1067 WeakPolarHBondContact O-CA 3.38Å; V1053-I1067 HydrophobicContact CB-CG1 4.47Å; V1053-I1067 HydrophobicContact CG1-CD1 4.37Å; V1053-I1067 HydrophobicContact CG1-CG1 4.16Å; V1053-I1067 HydrophobicContact CG2-CD1 3.96Å; V1053-I1067 HydrophobicContact CG2-CG1 4Å; V1053-I1067 HydrophobicContact CG2-CG2 4.28Å; L1065-I1067 HydrophobicContact CD1-CD1 4.39Å; L1065-I1067 HydrophobicContact CD1-CG1 4.15Å; L1065-I1067 HydrophobicContact CG-CG1 4.38Å; I1067-C1069 HydrophobicContact CG2-CB 4.46Å; I1067-L1078 HydrophobicContact CD1-CB 4.14Å; I1067-L1078 HydrophobicContact CD1-CD2 4.02Å; I1067-L1078 HydrophobicContact CD1-CG 3.82Å; I1067-L1078 HydrophobicContact CG2-CD2 4.38Å; I1067-V1079 HydrophobicContact CB-CG2 3.99Å; I1067-V1079 HydrophobicContact CD1-CB 4.35Å; I1067-V1079 HydrophobicContact CD1-CG2 3.58Å; I1067-V1079 HydrophobicContact CG1-CG2 3.71Å; I1067-I1082 HydrophobicContact CD1-CD1 4.13Å
1068	N	92.6	Very high	84.7	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	122.1	173.6	-60.7	94.2	0	0	0	108.7	Q992 L995 N999 V1051 L1052	Q992-N1068 PolarHBondContact NE2-OD1 3.17Å; L995-N1068 HydrophobicContact CB-CB 3.86Å; L995-N1068 PolarHBondContact O-ND2 3.43Å; N999-N1068 CarbonylContact O-C 3.51Å; N999-N1068 WeakPolarHBondContact O-CA 3.39Å; V1051-N1068 WeakPolarHBondContact CA-O 3.39Å; L1052-N1068 HydrophobicContact CB-CB 4.31Å; L1052-N1068 PolarHBondContact N-O 2.87Å; L1052-N1068 PolarHBondContact O-N 3.04Å
1069	C	90.1	Very high	85.2	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	131.9	-174.9	178.4	0	0	0	0	111.5	N999 V1051 I1067 K1071	N999-C1069 PolarHBondContact O-N 3.35Å; V1051-C1069 HydrophobicContact CG1-CB 4.45Å; V1051-C1069 HydrophobicContact CG2-CB 4.2Å; I1067-C1069 HydrophobicContact CG2-CB 4.46Å; C1069-K1071 PolarHBondContact O-N 3.48Å; C1069-K1071 PolarHBondContact SG-N 3.24Å; C1069-K1071 PolarHBondContact SG-O 3.24Å; C1069-K1071 VanDerWaalsContact SG-O 3.37Å
1070	E	87.1	Confident	86.1	Confident	101 Å²	101	41.8 Å²	41.8	47%	0.472	22%	0.217	S	C	.	.	S	Bend	trans	-60.2	-33.6	173.5	-55.3	171.2	146.4	0	0	112.6	L995 S1049 M1072	L995-E1070 HydrophobicContact CD2-CG 3.86Å; S1049-E1070 WeakPolarHBondContact CA-OE2 3.49Å; S1049-E1070 WeakPolarHBondContact CB-OE2 3.35Å; S1049-E1070 PolarHBondContact OG-OE2 3.21Å; E1070-M1072 PolarHBondContact O-N 2.98Å
1071	K	86.6	Confident	87.2	Confident	68 Å²	68	35.3 Å²	35.3	30%	0.296	19%	0.189	S	C	.	.			trans	-96.4	84.1	-177	-67.1	-170.8	173.9	-172	0	110.1	D950 S1047 C1069 V1073 I1074 G1075	D950-K1071 HydrophobicContact CB-CD 4.15Å; D950-K1071 IonicContact OD2-NZ 2.71Å; D950-K1071 PolarHBondContact OD2-NZ 3.14Å; S1047-K1071 VanDerWaalsContact CB-NZ 3.33Å; S1047-K1071 VanDerWaalsContact OG-CE 3.29Å; S1047-K1071 WeakPolarHBondContact OG-CE 3.24Å; S1047-K1071 PolarHBondContact OG-NZ 3.29Å; C1069-K1071 PolarHBondContact O-N 3.48Å; C1069-K1071 PolarHBondContact SG-N 3.24Å; C1069-K1071 PolarHBondContact SG-O 3.24Å; C1069-K1071 VanDerWaalsContact SG-O 3.37Å; K1071-V1073 PolarHBondContact O-N 2.75Å; K1071-I1074 HydrophobicContact CB-CB 4.2Å; K1071-I1074 HydrophobicContact CB-CD1 4.43Å; K1071-I1074 HydrophobicContact CD-CD1 4.31Å; K1071-I1074 WeakPolarHBondContact O-CA 3.48Å; K1071-I1074 WeakPolarHBondContact O-CB 3.35Å; K1071-I1074 PolarHBondContact O-N 3.44Å; K1071-G1075 PolarHBondContact O-N 2.98Å
1072	M	84.4	Confident	88.3	Confident	70 Å²	70	34.6 Å²	34.6	35%	0.345	18%	0.181	S	C	.	.	H	α-helix	trans	-55	-26.3	-175.6	-67.9	-63	-84.4	0	0	115.2	M998 I1001 E1070 G1075 T1076	M998-M1072 WeakPolarHBondContact O-CE 3.29Å; M998-M1072 VanDerWaalsContact O-SD 3.39Å; I1001-M1072 HydrophobicContact CD1-CE 3.9Å; I1001-M1072 HydrophobicContact CD1-SD 3.99Å; I1001-M1072 HydrophobicContact CG1-CE 3.58Å; I1001-M1072 HydrophobicContact CG1-SD 4.07Å; E1070-M1072 PolarHBondContact O-N 2.98Å; M1072-G1075 PolarHBondContact O-N 3.4Å; M1072-T1076 WeakPolarHBondContact O-CB 3.28Å; M1072-T1076 WeakPolarHBondContact O-CG2 3.31Å; M1072-T1076 PolarHBondContact O-N 3.42Å; M1072-T1076 PolarHBondContact O-OG1 3.17Å
1073	V	84.8	Confident	88.6	Confident	98 Å²	98	34.9 Å²	34.9	59%	0.594	18%	0.177	S	C	*	.	H	α-helix	trans	-67.1	-42	172.2	-177.9	0	0	0	0	111.5	K1071 T1076 M1077	K1071-V1073 PolarHBondContact O-N 2.75Å; V1073-T1076 PolarHBondContact O-OG1 2.85Å; V1073-M1077 WeakPolarHBondContact O-CG 3.45Å; V1073-M1077 PolarHBondContact O-N 3.43Å
1074	I	87.4	Confident	88.6	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-66.1	-46.8	172.4	-80.9	175.7	0	0	0	110	D950 V974 T1044 V1051 K1071 T1076 M1077 L1078	D950-I1074 HydrophobicContact CB-CD1 3.8Å; V974-I1074 HydrophobicContact CG1-CB 4.14Å; V974-I1074 HydrophobicContact CG1-CG1 4.07Å; V974-I1074 HydrophobicContact CG1-CG2 3.74Å; T1044-I1074 HydrophobicContact CG2-CD1 3.85Å; V1051-I1074 HydrophobicContact CG2-CG2 4.49Å; K1071-I1074 HydrophobicContact CB-CB 4.2Å; K1071-I1074 HydrophobicContact CB-CD1 4.43Å; K1071-I1074 HydrophobicContact CD-CD1 4.31Å; K1071-I1074 WeakPolarHBondContact O-CA 3.48Å; K1071-I1074 WeakPolarHBondContact O-CB 3.35Å; K1071-I1074 PolarHBondContact O-N 3.44Å; I1074-T1076 PolarHBondContact O-N 3Å; I1074-M1077 PolarHBondContact O-N 3.33Å; I1074-L1078 WeakPolarHBondContact O-CB 3.36Å; I1074-L1078 PolarHBondContact O-N 3.2Å
1075	G	87.1	Confident	88.4	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-56.4	-51.2	178.5	0	0	0	0	0	113	I1001 K1071 M1072 M1077 L1078 V1079	I1001-G1075 VanDerWaalsContact CD1-C 3.42Å; K1071-G1075 PolarHBondContact O-N 2.98Å; M1072-G1075 PolarHBondContact O-N 3.4Å; G1075-M1077 VanDerWaalsContact C-N 3.34Å; G1075-M1077 PolarHBondContact O-N 3.47Å; G1075-L1078 PolarHBondContact O-N 2.66Å; G1075-V1079 WeakPolarHBondContact O-CG2 3.33Å; G1075-V1079 PolarHBondContact O-N 2.95Å
1076	T	88	Confident	87.9	Confident	53 Å²	53	37.9 Å²	37.9	33%	0.325	20%	0.196	S	C	.	.	H	α-helix	trans	-66.7	-29.3	-177.6	49.7	0	0	0	0	114	I1001 M1072 V1073 I1074 K1080	I1001-T1076 HydrophobicContact CD1-CG2 3.59Å; I1001-T1076 VanDerWaalsContact CD1-N 3.33Å; M1072-T1076 WeakPolarHBondContact O-CB 3.28Å; M1072-T1076 WeakPolarHBondContact O-CG2 3.31Å; M1072-T1076 PolarHBondContact O-N 3.42Å; M1072-T1076 PolarHBondContact O-OG1 3.17Å; V1073-T1076 PolarHBondContact O-OG1 2.85Å; I1074-T1076 PolarHBondContact O-N 3Å; T1076-K1080 WeakPolarHBondContact O-CG 3.4Å
1077	M	88.4	Confident	87.3	Confident	60 Å²	60	40.3 Å²	40.3	30%	0.296	21%	0.211	S	C	.	.	H	α-helix	trans	-81.1	-41.1	173.6	-65.6	-50.4	107.4	0	0	111.6	V974 V1073 I1074 G1075 V1079 K1080 D1081	V974-M1077 HydrophobicContact CB-CB 4.37Å; V974-M1077 HydrophobicContact CG2-CB 3.55Å; V974-M1077 HydrophobicContact CG2-CG 4.36Å; V1073-M1077 WeakPolarHBondContact O-CG 3.45Å; V1073-M1077 PolarHBondContact O-N 3.43Å; I1074-M1077 PolarHBondContact O-N 3.33Å; G1075-M1077 VanDerWaalsContact C-N 3.34Å; G1075-M1077 PolarHBondContact O-N 3.47Å; M1077-V1079 VanDerWaalsContact C-N 3.28Å; M1077-V1079 PolarHBondContact O-N 3.5Å; M1077-K1080 HydrophobicContact CE-CD 4.39Å; M1077-K1080 WeakPolarHBondContact O-CA 3.31Å; M1077-K1080 WeakPolarHBondContact O-CB 2.76Å; M1077-K1080 PolarHBondContact O-N 3.17Å; M1077-K1080 HydrophobicContact SD-CD 4.33Å; M1077-D1081 PolarHBondContact O-N 3.03Å
1078	L	90	Very high	85.9	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62	-35.3	177.3	-173.2	64.7	0	0	0	112.2	V974 A1025 V1051 V1053 I1067 I1074 G1075 K1080 D1081 I1082	V974-L1078 HydrophobicContact CG1-CB 4.15Å; A1025-L1078 HydrophobicContact CB-CD1 3.8Å; V1051-L1078 HydrophobicContact CG1-CD2 3.69Å; V1053-L1078 HydrophobicContact CG2-CD2 4.26Å; I1067-L1078 HydrophobicContact CD1-CB 4.14Å; I1067-L1078 HydrophobicContact CD1-CD2 4.02Å; I1067-L1078 HydrophobicContact CD1-CG 3.82Å; I1067-L1078 HydrophobicContact CG2-CD2 4.38Å; I1074-L1078 WeakPolarHBondContact O-CB 3.36Å; I1074-L1078 PolarHBondContact O-N 3.2Å; G1075-L1078 PolarHBondContact O-N 2.66Å; L1078-K1080 VanDerWaalsContact C-N 3.31Å; L1078-K1080 PolarHBondContact O-N 2.89Å; L1078-D1081 PolarHBondContact O-N 2.88Å; L1078-I1082 HydrophobicContact CD1-CD1 3.94Å; L1078-I1082 HydrophobicContact CD1-CG1 4.22Å; L1078-I1082 HydrophobicContact CG-CD1 3.88Å; L1078-I1082 HydrophobicContact CG-CG1 4.46Å; L1078-I1082 WeakPolarHBondContact O-CB 3.33Å; L1078-I1082 WeakPolarHBondContact O-CG1 3.47Å; L1078-I1082 PolarHBondContact O-N 3.27Å
1079	V	90.2	Very high	85.6	Confident	7 Å²	7	49.9 Å²	49.9	4%	0.042	26%	0.257	C	S	.	.	H	α-helix	trans	-57.1	-44.3	170.1	166	0	0	0	0	110.9	I1001 E1003 L1065 I1067 G1075 M1077 L1083	I1001-V1079 HydrophobicContact CB-CG2 4.17Å; I1001-V1079 HydrophobicContact CG2-CG2 3.84Å; E1003-V1079 HydrophobicContact CB-CG1 4.09Å; E1003-V1079 HydrophobicContact CG-CG1 3.82Å; L1065-V1079 HydrophobicContact CD2-CG1 4.26Å; I1067-V1079 HydrophobicContact CB-CG2 3.99Å; I1067-V1079 HydrophobicContact CD1-CB 4.35Å; I1067-V1079 HydrophobicContact CD1-CG2 3.58Å; I1067-V1079 HydrophobicContact CG1-CG2 3.71Å; G1075-V1079 WeakPolarHBondContact O-CG2 3.33Å; G1075-V1079 PolarHBondContact O-N 2.95Å; M1077-V1079 VanDerWaalsContact C-N 3.28Å; M1077-V1079 PolarHBondContact O-N 3.5Å; V1079-L1083 WeakPolarHBondContact O-CB 3.47Å; V1079-L1083 PolarHBondContact O-N 3.47Å
1080	K	88.3	Confident	85.3	Confident	115 Å²	115	52.5 Å²	52.5	50%	0.5	27%	0.27	S	S	.	.	H	α-helix	trans	-69	-45.2	179.9	-64.8	173.6	-175	-179	0	112	T1076 M1077 L1078 I1082 L1083 L1084	T1076-K1080 WeakPolarHBondContact O-CG 3.4Å; M1077-K1080 HydrophobicContact CE-CD 4.39Å; M1077-K1080 WeakPolarHBondContact O-CA 3.31Å; M1077-K1080 WeakPolarHBondContact O-CB 2.76Å; M1077-K1080 PolarHBondContact O-N 3.17Å; M1077-K1080 HydrophobicContact SD-CD 4.33Å; L1078-K1080 VanDerWaalsContact C-N 3.31Å; L1078-K1080 PolarHBondContact O-N 2.89Å; K1080-I1082 VanDerWaalsContact C-N 3.35Å; K1080-I1082 PolarHBondContact O-N 3.05Å; K1080-L1083 PolarHBondContact O-N 3.35Å; K1080-L1084 WeakPolarHBondContact O-CB 3.46Å; K1080-L1084 VanDerWaalsContact O-CG 3.3Å; K1080-L1084 WeakPolarHBondContact O-CG 3.28Å; K1080-L1084 PolarHBondContact O-N 3.21Å
1081	D	87.3	Confident	85.2	Confident	54 Å²	54	49.8 Å²	49.8	29%	0.289	26%	0.259	S	S	.	.	H	α-helix	trans	-59.9	-45	179	-72.5	-13.2	0	0	0	111.1	V974 M1077 L1078 A1085	V974-D1081 PolarHBondContact N-OD2 2.87Å; M1077-D1081 PolarHBondContact O-N 3.03Å; L1078-D1081 PolarHBondContact O-N 2.88Å; D1081-A1085 WeakPolarHBondContact O-CB 3.25Å; D1081-A1085 PolarHBondContact O-N 3.12Å
1082	I	89.1	Confident	85.2	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-72.8	-38.9	178.3	-65.7	176.5	0	0	0	111.7	V1021 A1024 V1053 L1065 I1067 L1078 K1080 L1084 A1085 L1086	V1021-I1082 HydrophobicContact CG1-CD1 4.32Å; V1021-I1082 HydrophobicContact CG2-CG2 4.08Å; A1024-I1082 HydrophobicContact CB-CG1 4.29Å; V1053-I1082 HydrophobicContact CG1-CD1 4.1Å; V1053-I1082 HydrophobicContact CG2-CD1 4.28Å; L1065-I1082 HydrophobicContact CD1-CG2 3.9Å; L1065-I1082 HydrophobicContact CD2-CB 4.08Å; L1065-I1082 HydrophobicContact CD2-CG2 3.85Å; I1067-I1082 HydrophobicContact CD1-CD1 4.13Å; L1078-I1082 HydrophobicContact CD1-CD1 3.94Å; L1078-I1082 HydrophobicContact CD1-CG1 4.22Å; L1078-I1082 HydrophobicContact CG-CD1 3.88Å; L1078-I1082 HydrophobicContact CG-CG1 4.46Å; L1078-I1082 WeakPolarHBondContact O-CB 3.33Å; L1078-I1082 WeakPolarHBondContact O-CG1 3.47Å; L1078-I1082 PolarHBondContact O-N 3.27Å; K1080-I1082 VanDerWaalsContact C-N 3.35Å; K1080-I1082 PolarHBondContact O-N 3.05Å; I1082-L1084 PolarHBondContact O-N 2.95Å; I1082-A1085 PolarHBondContact O-N 3.3Å; I1082-L1086 HydrophobicContact CG2-CD1 3.79Å; I1082-L1086 HydrophobicContact CG2-CG 4.28Å; I1082-L1086 WeakPolarHBondContact O-CB 3.2Å; I1082-L1086 WeakPolarHBondContact O-CG 3.4Å; I1082-L1086 PolarHBondContact O-N 3.37Å
1083	L	88	Confident	85.2	Confident	47 Å²	47	47.4 Å²	47.4	25%	0.246	25%	0.252	C	S	.	.	H	α-helix	trans	-59.6	-44.7	175.3	176.8	61.5	0	0	0	111.6	L1005 L1065 V1079 K1080 L1086 T1087	L1005-L1083 HydrophobicContact CB-CD1 3.42Å; L1005-L1083 VanDerWaalsContact CB-CD1 3.42Å; L1005-L1083 HydrophobicContact CD2-CD1 3.75Å; L1005-L1083 HydrophobicContact CG-CD1 4.19Å; L1065-L1083 HydrophobicContact CD2-CB 4.49Å; V1079-L1083 WeakPolarHBondContact O-CB 3.47Å; V1079-L1083 PolarHBondContact O-N 3.47Å; K1080-L1083 PolarHBondContact O-N 3.35Å; L1083-L1086 PolarHBondContact O-N 3.06Å; L1083-T1087 HydrophobicContact CD1-CG2 4.14Å; L1083-T1087 WeakPolarHBondContact O-CB 3.39Å; L1083-T1087 WeakPolarHBondContact O-CG2 3.46Å; L1083-T1087 PolarHBondContact O-N 2.66Å; L1083-T1087 VanDerWaalsContact O-N 3.16Å; L1083-T1087 PolarHBondContact O-OG1 2.92Å
1084	L	85.3	Confident	85.2	Confident	88 Å²	88	44.1 Å²	44.1	46%	0.461	23%	0.229	S	C	.	.	H	α-helix	trans	-62.7	-44.7	173.8	-71.2	168.4	0	0	0	111.2	K1080 I1082 L1086 T1087 Q1088	K1080-L1084 WeakPolarHBondContact O-CB 3.46Å; K1080-L1084 VanDerWaalsContact O-CG 3.3Å; K1080-L1084 WeakPolarHBondContact O-CG 3.28Å; K1080-L1084 PolarHBondContact O-N 3.21Å; I1082-L1084 PolarHBondContact O-N 2.95Å; L1084-L1086 PolarHBondContact O-N 3.01Å; L1084-T1087 PolarHBondContact O-N 2.86Å; L1084-T1087 PolarHBondContact O-OG1 3.28Å; L1084-Q1088 WeakPolarHBondContact O-CB 3.38Å; L1084-Q1088 WeakPolarHBondContact O-CG 3.36Å; L1084-Q1088 PolarHBondContact O-N 3.36Å
1085	A	84.2	Confident	85.1	Confident	20 Å²	20	47.1 Å²	47.1	17%	0.165	24%	0.244	C	C	.	.	H	α-helix	trans	-68.4	-15.6	179.8	0	0	0	0	0	114.9	R1020 A1024 D1081 I1082	R1020-A1085 WeakPolarHBondContact CB-O 3.27Å; R1020-A1085 WeakPolarHBondContact CG-O 3.49Å; R1020-A1085 PolarHBondContact NH1-O 2.79Å; A1024-A1085 HydrophobicContact CB-CB 3.6Å; D1081-A1085 WeakPolarHBondContact O-CB 3.25Å; D1081-A1085 PolarHBondContact O-N 3.12Å; I1082-A1085 PolarHBondContact O-N 3.3Å
1086	L	82.9	Confident	84.9	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-100.2	-14.4	175.3	-70.9	174.5	0	0	0	114.1	L1005 L1007 I1017 R1020 V1021 V1055 I1082 L1083 L1084	L1005-L1086 HydrophobicContact CD1-CB 4.46Å; L1005-L1086 HydrophobicContact CD2-CD1 4.14Å; L1007-L1086 HydrophobicContact CD2-CB 4.13Å; L1007-L1086 HydrophobicContact CD2-CD2 4.29Å; I1017-L1086 HydrophobicContact CG2-CD2 4.12Å; R1020-L1086 HydrophobicContact CB-CD2 4.01Å; V1021-L1086 HydrophobicContact CG2-CD1 4.41Å; V1021-L1086 HydrophobicContact CG2-CD2 4.26Å; V1055-L1086 HydrophobicContact CG1-CD1 4.37Å; V1055-L1086 HydrophobicContact CG2-CD1 4.35Å; I1082-L1086 HydrophobicContact CG2-CD1 3.79Å; I1082-L1086 HydrophobicContact CG2-CG 4.28Å; I1082-L1086 WeakPolarHBondContact O-CB 3.2Å; I1082-L1086 WeakPolarHBondContact O-CG 3.4Å; I1082-L1086 PolarHBondContact O-N 3.37Å; L1083-L1086 PolarHBondContact O-N 3.06Å; L1084-L1086 PolarHBondContact O-N 3.01Å
1087	T	78.4	Confident	84.7	Confident	63 Å²	63	50.5 Å²	50.5	39%	0.387	26%	0.258	S	S	.	.	H	α-helix	trans	-107	-20	-178.6	52	0	0	0	0	114.1	L1083 L1084	L1083-T1087 HydrophobicContact CD1-CG2 4.14Å; L1083-T1087 WeakPolarHBondContact O-CB 3.39Å; L1083-T1087 WeakPolarHBondContact O-CG2 3.46Å; L1083-T1087 PolarHBondContact O-N 2.66Å; L1083-T1087 VanDerWaalsContact O-N 3.16Å; L1083-T1087 PolarHBondContact O-OG1 2.92Å; L1084-T1087 PolarHBondContact O-N 2.86Å; L1084-T1087 PolarHBondContact O-OG1 3.28Å
1088	Q	63.7	Low	84.3	Confident	152 Å²	152	49.6 Å²	49.6	71%	0.71	26%	0.255	S	S	*	.			trans	-88	0	164.2	-60.2	177.3	9	0	0	111.1	R1020 L1084	R1020-Q1088 VanDerWaalsContact NH1-C 3.29Å; R1020-Q1088 PolarHBondContact NH1-OXT 2.89Å; R1020-Q1088 VanDerWaalsContact NH2-C 3.29Å; R1020-Q1088 PolarHBondContact NH2-O 2.7Å; R1020-Q1088 PolarHBondContact NH2-OXT 3.11Å; L1084-Q1088 WeakPolarHBondContact O-CB 3.38Å; L1084-Q1088 WeakPolarHBondContact O-CG 3.36Å; L1084-Q1088 PolarHBondContact O-N 3.36Å

Retrieved 1,088 of 1,088 residues in 184.5 ms (Link to these results)

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