A0A087Y5E4_POEFO Loading...

mitogen-activated protein kinase kinase kinase

AlphaFold DB , UniProt , Accession A0A087Y5E4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,236 aa.

						>A0A087Y5E4_POEFO|A0A087Y5E4
MLLCLTVKLTLPVHLSADVAVVEMSDSFCQPSLFYHLGVRESFSMTNNIILYCYKQDSDLQALKEQCGSYTFIPYVVSPQGKVFACDATMMTCIKELMQPSLQLEPLLTPLVERLVHLLNNVHIQSSEYFRESLRQEIRLARERFSGKALSEELSRIQSRLDSVDLLTPDIVMNLLLSYRDVQDYDAMIKLVETLNNLPMCQAARHQNIKFHYIFALNRRNHPGDRAKALKLILPIVESGDKVASDVYCLCGRIYKDMFMSSGFTDVSSRDQACYWYGKAFEAEPTFHSGINSVVLLMAAGHEFETSIELRKIGVTISTLLGRKGSLEKMTEYWDVGFYLGANILAKEFRKVIEASEKLYRLKAPVWYLASIMETYILYRQFAKPPEVRSPKQDMVDFWMELLLQSCKPTVSTNRCPVLILEPSKVYQPSIVSVSEEDESRTVQLKHVTPLKKGLHQWTFPATKIRGVSASKIDERSCFLYVHYNSDDFQLCFPSEIHCKGFCELVNSLLHQAENPTQDPQLLTQGILEFIYETHENGDRVVLGKGTYGVVYAGRDLSNQVRIAIKEIPEKDSTYSQPLHEEIALHKRLKHRNIVQYLGSVSQDGFIKIFMEEVPGGSLSSLLRSKWGPLKDNEATIIFYTKQILEGLKYLHDNEIVHRDIKGDNVLINTYSGVLKISDFGTSKRLAGINPCTETFTGTLQYMAPEIIDQGPRGYGKPADIWSLGCTIIEMATGKPPFHELGSPQAAMFKVGMFKIHPTVPDTMSAEAKDFIMSCFVPDPDDRATATELLNDCFLKSPSRKRIKPPKDSDLKDSSNSTDYHRSLSVPVSILVEDTDSDTGSVDLASSLDMRKRWSPLRVTGISESPPCPSGFLSTPYDSSSDMSSPASSEENIGLFMLRKDSERRATLHRVLTDYISYVVTYLQESIPQLDEGSSLSEDHIITLIACLRENIRSPDRKQLATGLLELRSTLLAAAIPLNSLQMVLFNFQDAVKKVLKQQQVKPHWMFALDNLLRQAVQDAITVLLPELKLHLQLSFETEDSIPEEQSVDPDTPVVLVPNQPMAPIDNQQAETRNENGTAARLGPPDEVLFDRNCTLSEKLKDMRVETRRLLNELTEKEREYQELLRGSVLKRQEQIDELRKTFIIEESELNSTKCSNAETKSLVCWLKSVPVDQDTINKLLAHEFTLDCLLHMASREDLVYCGLRGAMMCRLWTAITDRRKTSLNTSIKDSEDTLL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	24.8	Very low	27.3	Very low	234 Å²	234	129.6 Å²	129.6	100%	1.153	69%	0.692	S	S	*	*				0	136.1	0	-69.1	173.3	177.8	0	0	106.4	L3	M1-L3 PolarHBondContact O-N 3.36Å; M1-L3 VanDerWaalsContact O-N 3.11Å
2	L	24.1	Very low	28	Very low	148 Å²	148	129.6 Å²	129.6	78%	0.775	70%	0.704	S	S	*	*			trans	-63.8	115	173.4	-72.9	82.8	0	0	0	108.3	C4	L2-C4 PolarHBondContact O-N 2.89Å
3	L	26.3	Very low	28.2	Very low	141 Å²	141	128.5 Å²	128.5	74%	0.738	70%	0.704	S	S	*	*			trans	-84.8	58.5	165.6	-153.6	136.9	0	0	0	108.4	M1 L5	M1-L3 PolarHBondContact O-N 3.36Å; M1-L3 VanDerWaalsContact O-N 3.11Å; L3-L5 PolarHBondContact O-N 2.8Å
4	C	27.6	Very low	28.5	Very low	72 Å²	72	131.9 Å²	131.9	49%	0.486	71%	0.712	S	S	.	*			trans	-60.8	108.4	169.9	-76.3	0	0	0	0	108.2	L2 T6	L2-C4 PolarHBondContact O-N 2.89Å; C4-T6 HydrophobicContact CB-CG2 4.14Å; C4-T6 WeakPolarHBondContact CB-OG1 3.48Å; C4-T6 PolarHBondContact O-N 3.38Å; C4-T6 PolarHBondContact O-OG1 3.16Å
5	L	31.1	Very low	28.8	Very low	136 Å²	136	128.5 Å²	128.5	71%	0.712	69%	0.693	S	S	*	*			trans	-69.5	54.7	153.3	-110.6	165.3	0	0	0	109.4	L3 V7	L3-L5 PolarHBondContact O-N 2.8Å; L5-V7 PolarHBondContact O-N 3.45Å
6	T	28	Very low	29.3	Very low	70 Å²	70	127 Å²	127	43%	0.429	70%	0.695	S	S	.	*			trans	-68.4	95.7	169.4	20	0	0	0	0	108.8	C4 K8	C4-T6 HydrophobicContact CB-CG2 4.14Å; C4-T6 WeakPolarHBondContact CB-OG1 3.48Å; C4-T6 PolarHBondContact O-N 3.38Å; C4-T6 PolarHBondContact O-OG1 3.16Å; T6-K8 PolarHBondContact O-N 2.72Å
7	V	32	Very low	30.4	Very low	134 Å²	134	121.5 Å²	121.5	81%	0.812	67%	0.671	S	S	*	*				-49	115.7	129.1	179.4	0	0	0	0	105.4	L5 L9	L5-V7 PolarHBondContact O-N 3.45Å; V7-L9 VanDerWaalsContact C-N 3.27Å; V7-L9 PolarHBondContact O-N 3.33Å
8	K	26.8	Very low	31.9	Very low	171 Å²	171	120.4 Å²	120.4	74%	0.743	66%	0.664	S	S	*	*	S	Bend	trans	-83.5	59.7	-143.5	-152.8	177	-175	178.3	0	115.4	T6 T10	T6-K8 PolarHBondContact O-N 2.72Å; K8-T10 HydrophobicContact CG-CG2 4.39Å; K8-T10 PolarHBondContact O-N 3.32Å
9	L	27.1	Very low	33.6	Very low	117 Å²	117	115.8 Å²	115.8	61%	0.613	64%	0.639	S	S	*	*			trans	-83.1	62.8	164.5	-74.1	169.2	0	0	0	110.8	V7 L11	V7-L9 VanDerWaalsContact C-N 3.27Å; V7-L9 PolarHBondContact O-N 3.33Å; L9-L11 PolarHBondContact O-N 2.65Å
10	T	25.2	Very low	35.6	Very low	101 Å²	101	110.9 Å²	110.9	62%	0.62	61%	0.614	S	S	*	*			trans	-72.9	96.3	164.2	46	0	0	0	0	108.8	K8	K8-T10 HydrophobicContact CG-CG2 4.39Å; K8-T10 PolarHBondContact O-N 3.32Å
11	L	27.3	Very low	37.7	Very low	102 Å²	102	109 Å²	109	53%	0.534	61%	0.605	S	S	.	*			trans	-48.5	146.7	178.1	-67.3	164.2	0	0	0	112.2	L9 V13 L15	L9-L11 PolarHBondContact O-N 2.65Å; L11-V13 WeakPolarHBondContact CD2-O 3.29Å; L11-L15 HydrophobicContact CD1-CG 4.41Å
12	P	35.8	Very low	40.2	Very low	129 Å²	129	98.9 Å²	98.9	84%	0.838	56%	0.557	S	S	*	*	S	Bend		-137	56.8	87.2	40.6	-28.2	0	0	0	114.5
13	V	30.9	Very low	42.9	Very low	116 Å²	116	95.2 Å²	95.2	70%	0.703	54%	0.536	S	S	*	.	S	Bend	trans	-141.3	125.3	166.3	-176.9	0	0	0	0	109.2	L11	L11-V13 WeakPolarHBondContact CD2-O 3.29Å
14	H	32.5	Very low	45.4	Very low	176 Å²	176	88.5 Å²	88.5	82%	0.815	50%	0.501	S	S	*	.			trans	-1.3	136.9	179.9	-55.8	-52.4	0	0	0	120.6	S16	H14-S16 PolarHBondContact O-N 2.9Å
15	L	32.2	Very low	47.5	Very low	81 Å²	81	85.8 Å²	85.8	42%	0.424	48%	0.482	S	S	.	.			trans	-65.5	115.5	-178.6	-63.4	100.9	0	0	0	112.8	L11 R40	L11-L15 HydrophobicContact CD1-CG 4.41Å; L15-R40 HydrophobicContact CD2-CG 3.9Å
16	S	36.9	Very low	49.5	Very low	104 Å²	104	83 Å²	83	73%	0.727	47%	0.468	S	S	*	.			trans	-126.6	62.3	163.7	68.5	0	0	0	0	109.8	H14	H14-S16 PolarHBondContact O-N 2.9Å
17	A	49	Very low	51.5	Low	34 Å²	34	84 Å²	84	28%	0.281	48%	0.478	S	S	.	.			trans	-133.9	116.2	178.9	0	0	0	0	0	108.8	V19 R40	A17-V19 VanDerWaalsContact C-N 3.29Å; A17-V19 PolarHBondContact O-N 3.49Å; A17-R40 PolarHBondContact O-NH1 3.33Å; A17-R40 PolarHBondContact O-NH2 3.41Å
18	D	56.6	Low	53.2	Low	102 Å²	102	86.4 Å²	86.4	55%	0.545	48%	0.478	S	S	.	.	S	Bend	trans	-63.1	-39	-173.6	-56.1	-56.6	0	0	0	111.5	R40	D18-R40 PolarHBondContact O-NH2 3.03Å
19	V	64.3	Low	54.9	Low	33 Å²	33	80.9 Å²	80.9	20%	0.2	46%	0.461	C	S	.	.			trans	-104.1	136.6	175.6	-173.8	0	0	0	0	111.6	A17 V21 N47 I49 L119 V122	A17-V19 VanDerWaalsContact C-N 3.29Å; A17-V19 PolarHBondContact O-N 3.49Å; V19-V21 HydrophobicContact CG1-CG2 4.08Å; V19-N47 VanDerWaalsContact CA-O 3.31Å; V19-N47 WeakPolarHBondContact CA-O 3.28Å; V19-N47 HydrophobicContact CG2-CB 4.17Å; V19-I49 HydrophobicContact CG1-CD1 4Å; V19-I49 HydrophobicContact CG1-CG1 4.33Å; V19-L119 HydrophobicContact CB-CD2 4.11Å; V19-L119 HydrophobicContact CG1-CD2 3.86Å; V19-L119 HydrophobicContact CG2-CD2 3.98Å; V19-V122 HydrophobicContact CG2-CB 3.9Å; V19-V122 HydrophobicContact CG2-CG1 3.54Å; V19-V122 HydrophobicContact CG2-CG2 4.01Å
20	A	74.6	Confident	57.1	Low	17 Å²	17	77 Å²	77	14%	0.14	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.5	160	0	0	0	0	0	110.4	V22 N47 I49	A20-V22 HydrophobicContact CB-CG2 4.49Å; A20-N47 PolarHBondContact N-O 2.93Å; A20-N47 VanDerWaalsContact N-O 3.07Å; A20-I49 PolarHBondContact O-N 3.34Å
21	V	78.1	Confident	59.3	Low	70 Å²	70	76.6 Å²	76.6	42%	0.424	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	118	172.1	-172.1	0	0	0	0	107.7	V19 I49 L51 L115	V19-V21 HydrophobicContact CG1-CG2 4.08Å; V21-I49 WeakPolarHBondContact CA-O 3.49Å; V21-I49 HydrophobicContact CG1-CB 4.45Å; V21-I49 HydrophobicContact CG1-CG2 4.33Å; V21-I49 HydrophobicContact CG2-CB 4.28Å; V21-I49 HydrophobicContact CG2-CD1 4.34Å; V21-L51 HydrophobicContact CG1-CD1 3.73Å; V21-L51 HydrophobicContact CG1-CD2 4.42Å; V21-L51 HydrophobicContact CG1-CG 3.83Å; V21-L115 HydrophobicContact CG1-CD2 4.45Å
22	V	79	Confident	61.3	Low	22 Å²	22	75.1 Å²	75.1	13%	0.133	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127	-169.7	179	0	0	0	0	110.2	A20 M24 L33 L37 I49 I50 L51	A20-V22 HydrophobicContact CB-CG2 4.49Å; V22-M24 HydrophobicContact CG1-CE 4.17Å; V22-M24 HydrophobicContact CG1-CG 4.29Å; V22-M24 HydrophobicContact CG1-SD 4.14Å; V22-L33 HydrophobicContact CG1-CB 4.03Å; V22-L33 HydrophobicContact CG1-CD1 3.84Å; V22-L33 HydrophobicContact CG1-CD2 3.95Å; V22-L33 HydrophobicContact CG1-CG 4.15Å; V22-L37 HydrophobicContact CG2-CD2 4.05Å; V22-I49 PolarHBondContact N-O 3.03Å; V22-I50 CarbonylContact O-C 3.57Å; V22-I50 WeakPolarHBondContact O-CA 3.4Å; V22-L51 PolarHBondContact O-N 3.28Å
23	E	80.5	Confident	63.1	Low	72 Å²	72	71.4 Å²	71.4	34%	0.336	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	117.6	174.1	-163.3	-165.4	154.2	0	0	110.6	S25 L51 Y75	E23-S25 VanDerWaalsContact CG-OG 3.29Å; E23-S25 WeakPolarHBondContact CG-OG 3.45Å; E23-S25 WeakPolarHBondContact OE1-CB 3.35Å; E23-S25 PolarHBondContact OE1-OG 3.4Å; E23-L51 CarbonylContact C-O 3.59Å; E23-L51 WeakPolarHBondContact CA-O 3.2Å; E23-L51 HydrophobicContact CG-CB 4.42Å; E23-Y75 HydrophobicContact CG-CE1 4.46Å; E23-Y75 PolarHBondContact OE1-OH 2.88Å; E23-Y75 VanDerWaalsContact OE1-OH 3.05Å
24	M	77.7	Confident	65.2	Low	0 Å²	0	68 Å²	68	0%	0	39%	0.385	C	S	.	.			trans	-102.4	18.5	-178.6	-68.8	-68.4	-155.2	0	0	113.2	V22 D26 Q30 L33 F34 L37 I50 L51 L63	V22-M24 HydrophobicContact CG1-CE 4.17Å; V22-M24 HydrophobicContact CG1-CG 4.29Å; V22-M24 HydrophobicContact CG1-SD 4.14Å; M24-D26 PolarHBondContact O-N 3.37Å; M24-D26 VanDerWaalsContact O-N 3.13Å; M24-Q30 HydrophobicContact CB-CG 4.29Å; M24-Q30 PolarHBondContact O-NE2 3.15Å; M24-Q30 HydrophobicContact SD-CB 4.37Å; M24-Q30 HydrophobicContact SD-CG 3.85Å; M24-L33 HydrophobicContact CE-CB 3.57Å; M24-L33 HydrophobicContact SD-CB 3.64Å; M24-L33 HydrophobicContact SD-CD1 3.7Å; M24-L33 HydrophobicContact SD-CG 4.33Å; M24-F34 HydrophobicContact CE-CD1 3.84Å; M24-F34 HydrophobicContact CE-CD2 4.08Å; M24-F34 HydrophobicContact CE-CE1 3.83Å; M24-F34 HydrophobicContact CE-CE2 4.08Å; M24-F34 HydrophobicContact CE-CG 3.96Å; M24-F34 HydrophobicContact CE-CZ 3.95Å; M24-L37 HydrophobicContact CE-CD1 3.97Å; M24-I50 HydrophobicContact CB-CG2 3.89Å; M24-I50 HydrophobicContact CE-CD1 4.4Å; M24-I50 HydrophobicContact CG-CG2 3.52Å; M24-L51 PolarHBondContact N-O 3.44Å; M24-L63 HydrophobicContact CB-CD2 4.05Å
25	S	72.3	Confident	67.1	Low	14 Å²	14	67.2 Å²	67.2	10%	0.098	38%	0.376	C	S	.	.			trans	-68	-4.7	-176.5	-52.2	0	0	0	0	116	E23 C53 K55	E23-S25 VanDerWaalsContact CG-OG 3.29Å; E23-S25 WeakPolarHBondContact CG-OG 3.45Å; E23-S25 WeakPolarHBondContact OE1-CB 3.35Å; E23-S25 PolarHBondContact OE1-OG 3.4Å; S25-C53 WeakPolarHBondContact OG-CB 3.47Å; S25-C53 PolarHBondContact OG-N 3.27Å; S25-K55 PolarHBondContact O-NZ 3.2Å
26	D	73.2	Confident	68.8	Low	77 Å²	77	68 Å²	68	41%	0.412	38%	0.378	S	S	.	.			trans	-123.5	115.4	178.9	173.5	21.4	0	0	0	110.5	M24 F28 C29 Q30	M24-D26 PolarHBondContact O-N 3.37Å; M24-D26 VanDerWaalsContact O-N 3.13Å; D26-F28 PolarHBondContact O-N 3.03Å; D26-F28 WeakPolarHBondContact OD1-CB 3.23Å; D26-F28 PolarHBondContact OD1-N 3.15Å; D26-C29 PolarHBondContact O-N 2.89Å; D26-C29 PolarHBondContact OD2-SG 3.21Å; D26-Q30 PolarHBondContact O-N 3.46Å
27	S	69.1	Low	70.5	Confident	92 Å²	92	63.2 Å²	63.2	64%	0.643	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-22.6	-179.4	52.2	0	0	0	0	113.9
28	F	67.8	Low	71.5	Confident	184 Å²	184	63.2 Å²	63.2	81%	0.807	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-32.7	176.5	-170.8	-97.8	0	0	0	112.2	D26	D26-F28 PolarHBondContact O-N 3.03Å; D26-F28 WeakPolarHBondContact OD1-CB 3.23Å; D26-F28 PolarHBondContact OD1-N 3.15Å
29	C	63.5	Low	72.1	Confident	56 Å²	56	60.3 Å²	60.3	38%	0.378	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-22.7	-177.8	-67.9	0	0	0	0	113.7	D26 S32 L33	D26-C29 PolarHBondContact O-N 2.89Å; D26-C29 PolarHBondContact OD2-SG 3.21Å; C29-S32 PolarHBondContact O-N 2.85Å; C29-L33 HydrophobicContact CB-CD1 3.93Å; C29-L33 HydrophobicContact CB-CG 4.49Å; C29-L33 WeakPolarHBondContact O-CG 3.42Å; C29-L33 PolarHBondContact O-N 3.47Å; C29-L33 VanDerWaalsContact O-N 3.16Å
30	Q	72.1	Confident	72.5	Confident	36 Å²	36	59.1 Å²	59.1	17%	0.168	33%	0.325	C	S	.	.	H	α-helix	trans	-48.2	-49.4	-174.7	-80	168.4	3.8	0	0	114.7	M24 D26 S32 L33 F34	M24-Q30 HydrophobicContact CB-CG 4.29Å; M24-Q30 PolarHBondContact O-NE2 3.15Å; M24-Q30 HydrophobicContact SD-CB 4.37Å; M24-Q30 HydrophobicContact SD-CG 3.85Å; D26-Q30 PolarHBondContact O-N 3.46Å; Q30-S32 VanDerWaalsContact C-N 3.34Å; Q30-S32 PolarHBondContact O-N 2.79Å; Q30-L33 PolarHBondContact O-N 3.22Å; Q30-F34 HydrophobicContact CB-CD2 4.28Å; Q30-F34 HydrophobicContact CB-CE2 4.14Å; Q30-F34 HydrophobicContact CG-CE2 4.5Å; Q30-F34 WeakPolarHBondContact O-CD2 3.37Å; Q30-F34 PolarHBondContact O-N 3.43Å
31	P	71.5	Confident	72.3	Confident	92 Å²	92	61.5 Å²	61.5	60%	0.597	33%	0.333	S	S	*	.	H	α-helix	trans	-62.6	-37.4	-176	-23.6	35	0	0	0	114	Y35	P31-Y35 PolarHBondContact O-N 2.84Å; P31-Y35 VanDerWaalsContact O-N 3.13Å
32	S	68.9	Low	71.6	Confident	70 Å²	70	62.4 Å²	62.4	49%	0.49	34%	0.342	S	S	.	.	H	α-helix	trans	-70.3	-40.9	177.2	-177.8	0	0	0	0	111.4	C29 Q30 Y35 H36	C29-S32 PolarHBondContact O-N 2.85Å; Q30-S32 VanDerWaalsContact C-N 3.34Å; Q30-S32 PolarHBondContact O-N 2.79Å; S32-Y35 PolarHBondContact O-N 3.42Å; S32-H36 PolarHBondContact O-CD2 3.18Å; S32-H36 PolarHBondContact O-N 3.43Å; S32-H36 VanDerWaalsContact O-N 3.13Å
33	L	73.8	Confident	70.3	Confident	52 Å²	52	68.2 Å²	68.2	27%	0.272	37%	0.366	S	S	.	.	H	α-helix	trans	-66.7	-40.6	177.7	-66.6	172.8	0	0	0	111.8	V22 M24 C29 Q30 H36 L37	V22-L33 HydrophobicContact CG1-CB 4.03Å; V22-L33 HydrophobicContact CG1-CD1 3.84Å; V22-L33 HydrophobicContact CG1-CD2 3.95Å; V22-L33 HydrophobicContact CG1-CG 4.15Å; M24-L33 HydrophobicContact CE-CB 3.57Å; M24-L33 HydrophobicContact SD-CB 3.64Å; M24-L33 HydrophobicContact SD-CD1 3.7Å; M24-L33 HydrophobicContact SD-CG 4.33Å; C29-L33 HydrophobicContact CB-CD1 3.93Å; C29-L33 HydrophobicContact CB-CG 4.49Å; C29-L33 WeakPolarHBondContact O-CG 3.42Å; C29-L33 PolarHBondContact O-N 3.47Å; C29-L33 VanDerWaalsContact O-N 3.16Å; Q30-L33 PolarHBondContact O-N 3.22Å; L33-H36 PolarHBondContact O-N 3.03Å; L33-L37 WeakPolarHBondContact O-CG 3.44Å; L33-L37 PolarHBondContact O-N 3.24Å
34	F	75.4	Confident	69.3	Low	43 Å²	43	69.7 Å²	69.7	19%	0.189	38%	0.384	C	S	.	.	H	α-helix	trans	-62.9	-41.4	172.9	-78.8	-60.1	0	0	0	112.8	M24 Q30 H36 L37 G38 I50 L63 C67 Y70	M24-F34 HydrophobicContact CE-CD1 3.84Å; M24-F34 HydrophobicContact CE-CD2 4.08Å; M24-F34 HydrophobicContact CE-CE1 3.83Å; M24-F34 HydrophobicContact CE-CE2 4.08Å; M24-F34 HydrophobicContact CE-CG 3.96Å; M24-F34 HydrophobicContact CE-CZ 3.95Å; Q30-F34 HydrophobicContact CB-CD2 4.28Å; Q30-F34 HydrophobicContact CB-CE2 4.14Å; Q30-F34 HydrophobicContact CG-CE2 4.5Å; Q30-F34 WeakPolarHBondContact O-CD2 3.37Å; Q30-F34 PolarHBondContact O-N 3.43Å; F34-H36 VanDerWaalsContact C-N 3.31Å; F34-H36 PolarHBondContact O-N 2.89Å; F34-L37 PolarHBondContact O-N 3.36Å; F34-G38 PolarHBondContact O-N 3.18Å; F34-I50 HydrophobicContact CE1-CD1 4.41Å; F34-L63 HydrophobicContact CE2-CD1 4.08Å; F34-L63 HydrophobicContact CZ-CD1 3.86Å; F34-C67 VanDerWaalsContact CE1-SG 3.57Å; F34-C67 VanDerWaalsContact CZ-SG 3.51Å; F34-Y70 HydrophobicContact CD1-CE2 4.34Å; F34-Y70 HydrophobicContact CE1-CE2 4.28Å
35	Y	72	Confident	68.6	Low	160 Å²	160	72 Å²	72	63%	0.627	40%	0.396	S	S	*	.	H	α-helix	trans	-56.5	-45.5	173.4	173.1	-99.7	0	0	0	111.7	P31 S32 L37 G38 V39	P31-Y35 PolarHBondContact O-N 2.84Å; P31-Y35 VanDerWaalsContact O-N 3.13Å; S32-Y35 PolarHBondContact O-N 3.42Å; Y35-L37 PolarHBondContact O-N 2.99Å; Y35-G38 PolarHBondContact O-N 2.62Å; Y35-V39 HydrophobicContact CE1-CG2 4.18Å; Y35-V39 HydrophobicContact CE2-CG2 4.33Å; Y35-V39 WeakPolarHBondContact O-CG2 3.48Å; Y35-V39 PolarHBondContact O-N 3.07Å
36	H	68.4	Low	68.2	Low	99 Å²	99	75.7 Å²	75.7	46%	0.458	42%	0.418	S	S	.	.	H	α-helix	trans	-68.9	-28.3	177.6	-72.3	-57.3	0	0	0	114.3	S32 L33 F34 R40	S32-H36 PolarHBondContact O-CD2 3.18Å; S32-H36 PolarHBondContact O-N 3.43Å; S32-H36 VanDerWaalsContact O-N 3.13Å; L33-H36 PolarHBondContact O-N 3.03Å; F34-H36 VanDerWaalsContact C-N 3.31Å; F34-H36 PolarHBondContact O-N 2.89Å; H36-R40 PolarHBondContact O-N 3.09Å
37	L	72.5	Confident	68	Low	3 Å²	3	74.4 Å²	74.4	2%	0.016	41%	0.411	C	S	.	.	H	α-helix	trans	-72.3	-44.2	171.8	-70.1	179.8	0	0	0	112.1	V22 M24 L33 F34 Y35 V39 R40 E41 N48 I50 Y70	V22-L37 HydrophobicContact CG2-CD2 4.05Å; M24-L37 HydrophobicContact CE-CD1 3.97Å; L33-L37 WeakPolarHBondContact O-CG 3.44Å; L33-L37 PolarHBondContact O-N 3.24Å; F34-L37 PolarHBondContact O-N 3.36Å; Y35-L37 PolarHBondContact O-N 2.99Å; L37-V39 VanDerWaalsContact C-N 3.3Å; L37-V39 PolarHBondContact O-N 3.36Å; L37-R40 WeakPolarHBondContact O-CA 3.34Å; L37-R40 WeakPolarHBondContact O-CB 3.4Å; L37-R40 PolarHBondContact O-N 3.21Å; L37-E41 PolarHBondContact O-N 3.17Å; L37-N48 HydrophobicContact CD2-CB 3.9Å; L37-I50 HydrophobicContact CD1-CD1 3.94Å; L37-I50 HydrophobicContact CD1-CG1 4.18Å; L37-Y70 HydrophobicContact CB-CE1 4.46Å; L37-Y70 HydrophobicContact CD1-CD2 4.48Å; L37-Y70 HydrophobicContact CD1-CE2 4.21Å
38	G	70	Confident	68.5	Low	34 Å²	34	70.1 Å²	70.1	35%	0.351	38%	0.381	S	S	.	.	H	α-helix	trans	-62	-36.5	174.6	0	0	0	0	0	112.9	F34 Y35 R40 E41 S42	F34-G38 PolarHBondContact O-N 3.18Å; Y35-G38 PolarHBondContact O-N 2.62Å; G38-R40 VanDerWaalsContact C-N 3.33Å; G38-R40 PolarHBondContact O-N 3.49Å; G38-E41 PolarHBondContact O-N 2.89Å; G38-S42 PolarHBondContact O-N 3.21Å
39	V	69	Low	69.2	Low	41 Å²	41	61.7 Å²	61.7	25%	0.248	34%	0.344	C	S	.	.	H	α-helix	trans	-61.2	-40.8	170.7	169.8	0	0	0	0	111.2	Y35 L37 S42 F43	Y35-V39 HydrophobicContact CE1-CG2 4.18Å; Y35-V39 HydrophobicContact CE2-CG2 4.33Å; Y35-V39 WeakPolarHBondContact O-CG2 3.48Å; Y35-V39 PolarHBondContact O-N 3.07Å; L37-V39 VanDerWaalsContact C-N 3.3Å; L37-V39 PolarHBondContact O-N 3.36Å; V39-S42 PolarHBondContact O-N 2.93Å; V39-S42 PolarHBondContact O-OG 3.23Å; V39-F43 HydrophobicContact CG1-CD2 4.32Å; V39-F43 HydrophobicContact CG1-CE2 4.01Å; V39-F43 VanDerWaalsContact O-CD2 3.23Å; V39-F43 WeakPolarHBondContact O-CD2 3.16Å; V39-F43 PolarHBondContact O-N 2.55Å
40	R	73.8	Confident	70.1	Confident	7 Å²	7	59 Å²	59	3%	0.026	33%	0.326	C	S	.	.	H	α-helix	trans	-64.1	-42.5	175.2	-77.8	175.2	57.1	78	-0.8	112.5	L15 A17 D18 H36 L37 G38 S42 F43 S44 M45 N48	L15-R40 HydrophobicContact CD2-CG 3.9Å; A17-R40 PolarHBondContact O-NH1 3.33Å; A17-R40 PolarHBondContact O-NH2 3.41Å; D18-R40 PolarHBondContact O-NH2 3.03Å; H36-R40 PolarHBondContact O-N 3.09Å; L37-R40 WeakPolarHBondContact O-CA 3.34Å; L37-R40 WeakPolarHBondContact O-CB 3.4Å; L37-R40 PolarHBondContact O-N 3.21Å; G38-R40 VanDerWaalsContact C-N 3.33Å; G38-R40 PolarHBondContact O-N 3.49Å; R40-S42 VanDerWaalsContact C-N 3.27Å; R40-S42 PolarHBondContact O-N 3Å; R40-F43 CarbonylContact O-C 3.38Å; R40-F43 PolarHBondContact O-N 3.4Å; R40-S44 PolarHBondContact O-N 3.25Å; R40-M45 HydrophobicContact CB-CB 4.09Å; R40-M45 WeakPolarHBondContact O-CB 3.22Å; R40-M45 PolarHBondContact O-N 3.47Å; R40-N48 PolarHBondContact NE-OD1 3.11Å; R40-N48 PolarHBondContact NH2-OD1 3.05Å
41	E	69.3	Low	70.6	Confident	68 Å²	68	58.3 Å²	58.3	32%	0.318	32%	0.323	S	S	.	.	H	α-helix	trans	-62.4	-33.6	174.5	-75.2	175.6	131.2	0	0	112.4	L37 G38 F43 S44 S69 Y70	L37-E41 PolarHBondContact O-N 3.17Å; G38-E41 PolarHBondContact O-N 2.89Å; E41-F43 PolarHBondContact O-N 2.94Å; E41-S44 PolarHBondContact O-N 2.93Å; E41-S69 PolarHBondContact OE1-OG 3.4Å; E41-Y70 VanDerWaalsContact CD-CE1 3.42Å; E41-Y70 HydrophobicContact CG-CE1 4.27Å; E41-Y70 VanDerWaalsContact OE1-CE1 3.25Å; E41-Y70 WeakPolarHBondContact OE1-CE1 3.4Å; E41-Y70 WeakPolarHBondContact OE2-CE1 3.44Å; E41-Y70 PolarHBondContact OE2-OH 3.46Å
42	S	64	Low	71	Confident	89 Å²	89	54.4 Å²	54.4	62%	0.622	30%	0.297	S	S	*	.	H	α-helix	trans	-65.8	-17.7	174	79.3	0	0	0	0	114.4	G38 V39 R40	G38-S42 PolarHBondContact O-N 3.21Å; V39-S42 PolarHBondContact O-N 2.93Å; V39-S42 PolarHBondContact O-OG 3.23Å; R40-S42 VanDerWaalsContact C-N 3.27Å; R40-S42 PolarHBondContact O-N 3Å
43	F	52.6	Low	71.5	Confident	144 Å²	144	52.3 Å²	52.3	63%	0.632	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	19.2	170.1	-66.5	-70.1	0	0	0	112.9	V39 R40 E41 M45	V39-F43 HydrophobicContact CG1-CD2 4.32Å; V39-F43 HydrophobicContact CG1-CE2 4.01Å; V39-F43 VanDerWaalsContact O-CD2 3.23Å; V39-F43 WeakPolarHBondContact O-CD2 3.16Å; V39-F43 PolarHBondContact O-N 2.55Å; R40-F43 CarbonylContact O-C 3.38Å; R40-F43 PolarHBondContact O-N 3.4Å; E41-F43 PolarHBondContact O-N 2.94Å; F43-M45 HydrophobicContact CB-CG 4.37Å; F43-M45 PolarHBondContact O-N 3.05Å; F43-M45 VanDerWaalsContact O-N 3.15Å
44	S	58.2	Low	71.4	Confident	102 Å²	102	51 Å²	51	71%	0.713	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	17.1	-176.1	-56.1	0	0	0	0	115.3	R40 E41 T46	R40-S44 PolarHBondContact O-N 3.25Å; E41-S44 PolarHBondContact O-N 2.93Å; S44-T46 PolarHBondContact O-N 3.1Å
45	M	62.6	Low	70.9	Confident	49 Å²	49	55.1 Å²	55.1	24%	0.241	29%	0.291	C	S	.	.			trans	-84.2	77.4	177.8	-61.6	-177.3	-178.8	0	0	110.6	R40 F43 N48	R40-M45 HydrophobicContact CB-CB 4.09Å; R40-M45 WeakPolarHBondContact O-CB 3.22Å; R40-M45 PolarHBondContact O-N 3.47Å; F43-M45 HydrophobicContact CB-CG 4.37Å; F43-M45 PolarHBondContact O-N 3.05Å; F43-M45 VanDerWaalsContact O-N 3.15Å; M45-N48 PolarHBondContact O-ND2 3.31Å
46	T	64.5	Low	70.5	Confident	92 Å²	92	53.2 Å²	53.2	56%	0.564	29%	0.288	S	S	*	.			trans	-77.7	-20.7	-171	52.7	0	0	0	0	115.2	S44 N48	S44-T46 PolarHBondContact O-N 3.1Å; T46-N48 VanDerWaalsContact C-N 3.29Å; T46-N48 PolarHBondContact O-N 3.14Å; T46-N48 PolarHBondContact O-ND2 3.08Å
47	N	70	Confident	70	Confident	50 Å²	50	51.9 Å²	51.9	27%	0.267	28%	0.284	S	S	.	.			trans	-75.5	77.8	-175.5	-68.7	-49.9	0	0	0	112	V19 A20 V122	V19-N47 VanDerWaalsContact CA-O 3.31Å; V19-N47 WeakPolarHBondContact CA-O 3.28Å; V19-N47 HydrophobicContact CG2-CB 4.17Å; A20-N47 PolarHBondContact N-O 2.93Å; A20-N47 VanDerWaalsContact N-O 3.07Å; N47-V122 HydrophobicContact CB-CG1 4.23Å; N47-V122 HydrophobicContact CB-CG2 4.25Å; N47-V122 WeakPolarHBondContact ND2-CG1 3.44Å
48	N	79.3	Confident	69.3	Low	1 Å²	1	55.1 Å²	55.1	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	118.6	-177.3	-58.6	-52.7	0	0	0	110	L37 R40 M45 T46 Y70 T71	L37-N48 HydrophobicContact CD2-CB 3.9Å; R40-N48 PolarHBondContact NE-OD1 3.11Å; R40-N48 PolarHBondContact NH2-OD1 3.05Å; M45-N48 PolarHBondContact O-ND2 3.31Å; T46-N48 VanDerWaalsContact C-N 3.29Å; T46-N48 PolarHBondContact O-N 3.14Å; T46-N48 PolarHBondContact O-ND2 3.08Å; N48-Y70 HydrophobicContact CB-CD1 3.83Å; N48-Y70 HydrophobicContact CB-CE1 4.27Å; N48-T71 PolarHBondContact O-N 3.07Å
49	I	81.2	Confident	68.8	Low	7 Å²	7	57 Å²	57	4%	0.036	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.1	-179.5	-58	176.5	0	0	0	108.5	V19 A20 V21 V22 L51 T71 I73 L115 L118	V19-I49 HydrophobicContact CG1-CD1 4Å; V19-I49 HydrophobicContact CG1-CG1 4.33Å; A20-I49 PolarHBondContact O-N 3.34Å; V21-I49 WeakPolarHBondContact CA-O 3.49Å; V21-I49 HydrophobicContact CG1-CB 4.45Å; V21-I49 HydrophobicContact CG1-CG2 4.33Å; V21-I49 HydrophobicContact CG2-CB 4.28Å; V21-I49 HydrophobicContact CG2-CD1 4.34Å; V22-I49 PolarHBondContact N-O 3.03Å; I49-L51 HydrophobicContact CG2-CD2 4.28Å; I49-T71 CarbonylContact C-O 3.58Å; I49-T71 WeakPolarHBondContact CA-O 3.36Å; I49-T71 HydrophobicContact CG1-CG2 4.26Å; I49-I73 HydrophobicContact CG2-CD1 3.62Å; I49-I73 HydrophobicContact CG2-CG1 4.14Å; I49-L115 HydrophobicContact CD1-CD2 4.41Å; I49-L115 HydrophobicContact CG2-CD2 4.21Å; I49-L118 HydrophobicContact CD1-CB 4.28Å; I49-L118 HydrophobicContact CD1-CD1 4.41Å
50	I	82.8	Confident	68.6	Low	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.5	176.9	-66.2	177.7	0	0	0	109.2	V22 M24 F34 L37 C67 Y70 T71 F72 I73	V22-I50 CarbonylContact O-C 3.57Å; V22-I50 WeakPolarHBondContact O-CA 3.4Å; M24-I50 HydrophobicContact CB-CG2 3.89Å; M24-I50 HydrophobicContact CE-CD1 4.4Å; M24-I50 HydrophobicContact CG-CG2 3.52Å; F34-I50 HydrophobicContact CE1-CD1 4.41Å; L37-I50 HydrophobicContact CD1-CD1 3.94Å; L37-I50 HydrophobicContact CD1-CG1 4.18Å; I50-C67 HydrophobicContact CD1-CB 4.25Å; I50-Y70 HydrophobicContact CD1-CD2 3.5Å; I50-Y70 VanDerWaalsContact CD1-CD2 3.5Å; I50-Y70 HydrophobicContact CD1-CE2 4.35Å; I50-Y70 HydrophobicContact CD1-CG 3.92Å; I50-T71 PolarHBondContact N-O 3.26Å; I50-F72 HydrophobicContact CB-CD2 3.94Å; I50-F72 HydrophobicContact CG2-CD2 3.58Å; I50-F72 HydrophobicContact CG2-CE2 3.74Å; I50-I73 PolarHBondContact O-N 2.96Å
51	L	82.3	Confident	68.1	Low	22 Å²	22	60.7 Å²	60.7	12%	0.115	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	136.4	171.3	-57.5	-176	0	0	0	109.7	V21 V22 E23 M24 I49 I73 Y75 L111 L115	V21-L51 HydrophobicContact CG1-CD1 3.73Å; V21-L51 HydrophobicContact CG1-CD2 4.42Å; V21-L51 HydrophobicContact CG1-CG 3.83Å; V22-L51 PolarHBondContact O-N 3.28Å; E23-L51 CarbonylContact C-O 3.59Å; E23-L51 WeakPolarHBondContact CA-O 3.2Å; E23-L51 HydrophobicContact CG-CB 4.42Å; M24-L51 PolarHBondContact N-O 3.44Å; I49-L51 HydrophobicContact CG2-CD2 4.28Å; L51-I73 HydrophobicContact CD2-CB 3.94Å; L51-I73 HydrophobicContact CD2-CD1 4.11Å; L51-I73 HydrophobicContact CD2-CG1 4.44Å; L51-I73 HydrophobicContact CD2-CG2 4.46Å; L51-Y75 HydrophobicContact CB-CD1 4.21Å; L51-Y75 HydrophobicContact CB-CE1 4.12Å; L51-L111 HydrophobicContact CD1-CD2 4.49Å; L51-L111 HydrophobicContact CD2-CD1 4.2Å; L51-L115 HydrophobicContact CD2-CD2 4.38Å
52	Y	81.1	Confident	67.9	Low	10 Å²	10	59.7 Å²	59.7	4%	0.039	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	120.8	175.7	-178.9	-101.2	0	0	0	111.8	Y54 D59 L60 L63 F72 I73 P74 Y75	Y52-Y54 PolarHBondContact O-N 2.93Å; Y52-D59 WeakPolarHBondContact OH-CB 3.47Å; Y52-L60 HydrophobicContact CD1-CD1 3.53Å; Y52-L60 HydrophobicContact CE1-CD1 3.82Å; Y52-L63 HydrophobicContact CD2-CD2 3.56Å; Y52-L63 HydrophobicContact CE2-CD2 3.95Å; Y52-L63 HydrophobicContact CG-CD2 4.17Å; Y52-F72 HydrophobicContact CD1-CZ 4.23Å; Y52-F72 HydrophobicContact CG-CE2 4.48Å; Y52-F72 AromaticContact CG-CZ 3.95Å; Y52-F72 HydrophobicContact CG-CZ 3.95Å; Y52-I73 PolarHBondContact N-O 3.43Å; Y52-I73 VanDerWaalsContact N-O 3.1Å; Y52-P74 WeakPolarHBondContact O-CA 3.32Å; Y52-Y75 WeakPolarHBondContact O-CD1 3.29Å; Y52-Y75 PolarHBondContact O-N 2.96Å
53	C	79.7	Confident	68	Low	25 Å²	25	55.8 Å²	55.8	17%	0.169	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	106.5	173.4	-169.8	0	0	0	0	109.8	S25 K55 Y75	S25-C53 WeakPolarHBondContact OG-CB 3.47Å; S25-C53 PolarHBondContact OG-N 3.27Å; C53-K55 PolarHBondContact O-N 3.41Å; C53-Y75 WeakPolarHBondContact CA-O 3.38Å; C53-Y75 HydrophobicContact CB-CE1 3.99Å; C53-Y75 HydrophobicContact CB-CE2 3.89Å
54	Y	70.1	Confident	68.6	Low	25 Å²	25	54.6 Å²	54.6	10%	0.098	29%	0.294	C	S	.	.			trans	-66.1	126.1	-176.1	171.7	-89.1	0	0	0	111.7	Y52 D57 L60 Y75 V76 M91 K95	Y52-Y54 PolarHBondContact O-N 2.93Å; Y54-D57 WeakPolarHBondContact CE2-OD1 3.5Å; Y54-D57 PolarHBondContact OH-OD1 3.49Å; Y54-D57 PolarHBondContact OH-OD2 3.07Å; Y54-L60 HydrophobicContact CD2-CD1 4.27Å; Y54-L60 HydrophobicContact CD2-CD2 4Å; Y54-L60 HydrophobicContact CE2-CD2 4.14Å; Y54-Y75 PolarHBondContact N-O 3.43Å; Y54-V76 HydrophobicContact CD1-CG2 4.19Å; Y54-M91 HydrophobicContact CD1-CE 3.88Å; Y54-M91 HydrophobicContact CE1-CB 4.45Å; Y54-M91 HydrophobicContact CE1-CE 3.67Å; Y54-M91 HydrophobicContact CE1-CG 4.46Å; Y54-K95 WeakPolarHBondContact OH-CE 3.41Å; Y54-K95 PolarHBondContact OH-NZ 2.95Å
55	K	66.3	Low	68.9	Low	130 Å²	130	56.3 Å²	56.3	57%	0.565	29%	0.291	S	S	*	.			trans	-129.4	-43.9	-178.9	-65.9	166.7	-169.4	163.4	0	112.8	S25 C53	S25-K55 PolarHBondContact O-NZ 3.2Å; C53-K55 PolarHBondContact O-N 3.41Å
56	Q	62.5	Low	69	Low	119 Å²	119	60.3 Å²	60.3	56%	0.556	31%	0.309	S	S	*	.			trans	-143.3	155.9	178	-62.1	-169.5	6.5	0	0	110.3
57	D	58.4	Low	68.8	Low	72 Å²	72	56.1 Å²	56.1	39%	0.385	28%	0.284	S	S	.	.	H	α-helix	trans	-77.8	-32.5	-175	-63	-64.7	0	0	0	113.6	Y54 D59 L60 Q61 K95	Y54-D57 WeakPolarHBondContact CE2-OD1 3.5Å; Y54-D57 PolarHBondContact OH-OD1 3.49Å; Y54-D57 PolarHBondContact OH-OD2 3.07Å; D57-D59 VanDerWaalsContact C-N 3.32Å; D57-D59 PolarHBondContact O-N 3.2Å; D57-L60 PolarHBondContact O-N 3.09Å; D57-Q61 PolarHBondContact O-N 3.32Å; D57-K95 IonicContact OD1-NZ 2.85Å; D57-K95 IonicContact OD2-NZ 2.65Å; D57-K95 PolarHBondContact OD2-NZ 3.3Å
58	S	57.1	Low	68.1	Low	71 Å²	71	57.4 Å²	57.4	50%	0.497	31%	0.309	S	S	.	.	H	α-helix	trans	-54.5	-48.3	177.1	42.5	0	0	0	0	112.3	Q61 A62	S58-Q61 PolarHBondContact O-N 3.26Å; S58-A62 PolarHBondContact O-N 3.07Å
59	D	60.9	Low	67.2	Low	74 Å²	74	61.4 Å²	61.4	40%	0.396	34%	0.337	S	S	.	.	H	α-helix	trans	-75.4	-33.2	-169.6	-53.1	6	0	0	0	110.4	Y52 D57 L63	Y52-D59 WeakPolarHBondContact OH-CB 3.47Å; D57-D59 VanDerWaalsContact C-N 3.32Å; D57-D59 PolarHBondContact O-N 3.2Å; D59-L63 VanDerWaalsContact O-CB 3.26Å; D59-L63 WeakPolarHBondContact O-CB 3.47Å; D59-L63 PolarHBondContact O-N 3.15Å
60	L	65.1	Low	67	Low	13 Å²	13	62.8 Å²	62.8	7%	0.068	34%	0.342	C	S	.	.	H	α-helix	trans	-64.1	-44.6	176.4	-168.7	78	0	0	0	111.5	Y52 Y54 D57 K64 F72 P74 A88	Y52-L60 HydrophobicContact CD1-CD1 3.53Å; Y52-L60 HydrophobicContact CE1-CD1 3.82Å; Y54-L60 HydrophobicContact CD2-CD1 4.27Å; Y54-L60 HydrophobicContact CD2-CD2 4Å; Y54-L60 HydrophobicContact CE2-CD2 4.14Å; D57-L60 PolarHBondContact O-N 3.09Å; L60-K64 VanDerWaalsContact O-CB 3.23Å; L60-K64 WeakPolarHBondContact O-CB 3.3Å; L60-K64 PolarHBondContact O-N 3.4Å; L60-F72 HydrophobicContact CD1-CE1 3.7Å; L60-F72 HydrophobicContact CD1-CZ 3.96Å; L60-F72 HydrophobicContact CG-CE1 4.5Å; L60-P74 HydrophobicContact CD1-CB 4.16Å; L60-P74 HydrophobicContact CD1-CG 4.27Å; L60-A88 HydrophobicContact CD2-CB 4.07Å
61	Q	61.9	Low	66.7	Low	111 Å²	111	65.8 Å²	65.8	52%	0.519	36%	0.36	S	S	.	.	H	α-helix	trans	-65.9	-50.5	-179.2	-171.1	71	22.9	0	0	110.7	D57 S58 L63 K64 E65	D57-Q61 PolarHBondContact O-N 3.32Å; S58-Q61 PolarHBondContact O-N 3.26Å; Q61-L63 PolarHBondContact O-N 3.1Å; Q61-K64 PolarHBondContact O-N 3.46Å; Q61-E65 PolarHBondContact NE2-OE1 3.12Å; Q61-E65 WeakPolarHBondContact O-CG 3.33Å; Q61-E65 PolarHBondContact O-N 3.17Å
62	A	64.4	Low	66.5	Low	48 Å²	48	66.8 Å²	66.8	40%	0.397	36%	0.363	S	S	.	.	H	α-helix	trans	-61.7	-42.4	179.9	0	0	0	0	0	112.8	S58 E65 Q66	S58-A62 PolarHBondContact O-N 3.07Å; A62-E65 PolarHBondContact O-N 3.45Å; A62-Q66 WeakPolarHBondContact O-CG 3.46Å; A62-Q66 PolarHBondContact O-N 3.03Å
63	L	67.1	Low	66.5	Low	6 Å²	6	66.9 Å²	66.9	3%	0.031	37%	0.365	C	S	.	.	H	α-helix	trans	-68.4	-37.7	177.8	-167.2	67.3	0	0	0	111.5	M24 F34 Y52 D59 Q61 Q66 C67 F72	M24-L63 HydrophobicContact CB-CD2 4.05Å; F34-L63 HydrophobicContact CE2-CD1 4.08Å; F34-L63 HydrophobicContact CZ-CD1 3.86Å; Y52-L63 HydrophobicContact CD2-CD2 3.56Å; Y52-L63 HydrophobicContact CE2-CD2 3.95Å; Y52-L63 HydrophobicContact CG-CD2 4.17Å; D59-L63 VanDerWaalsContact O-CB 3.26Å; D59-L63 WeakPolarHBondContact O-CB 3.47Å; D59-L63 PolarHBondContact O-N 3.15Å; Q61-L63 PolarHBondContact O-N 3.1Å; L63-Q66 PolarHBondContact O-N 3.42Å; L63-C67 WeakPolarHBondContact O-CB 3.41Å; L63-C67 PolarHBondContact O-N 2.9Å; L63-C67 PolarHBondContact O-SG 3.12Å; L63-F72 HydrophobicContact CD2-CE2 3.84Å; L63-F72 HydrophobicContact CD2-CZ 4.19Å; L63-F72 HydrophobicContact CG-CE2 4.24Å
64	K	65.3	Low	66.5	Low	119 Å²	119	66.6 Å²	66.6	52%	0.517	36%	0.362	S	S	.	.	H	α-helix	trans	-65	-38.6	176.4	-174.6	175.3	178.2	178	0	112.8	L60 Q61 Q66 C67	L60-K64 VanDerWaalsContact O-CB 3.23Å; L60-K64 WeakPolarHBondContact O-CB 3.3Å; L60-K64 PolarHBondContact O-N 3.4Å; Q61-K64 PolarHBondContact O-N 3.46Å; K64-Q66 VanDerWaalsContact C-N 3.3Å; K64-Q66 PolarHBondContact O-N 3.43Å; K64-C67 PolarHBondContact O-N 3.26Å
65	E	65.3	Low	67.1	Low	138 Å²	138	66.6 Å²	66.6	65%	0.645	36%	0.362	S	S	*	.	H	α-helix	trans	-67.4	-29.6	175.4	-73.5	169.7	-164.9	0	0	112.3	Q61 A62	Q61-E65 PolarHBondContact NE2-OE1 3.12Å; Q61-E65 WeakPolarHBondContact O-CG 3.33Å; Q61-E65 PolarHBondContact O-N 3.17Å; A62-E65 PolarHBondContact O-N 3.45Å
66	Q	63.3	Low	67.7	Low	134 Å²	134	62.2 Å²	62.2	63%	0.626	35%	0.346	S	S	*	.	H	α-helix	trans	-79.2	-26	172.7	-67.7	173.2	6.4	0	0	113.8	A62 L63 K64	A62-Q66 WeakPolarHBondContact O-CG 3.46Å; A62-Q66 PolarHBondContact O-N 3.03Å; L63-Q66 PolarHBondContact O-N 3.42Å; K64-Q66 VanDerWaalsContact C-N 3.3Å; K64-Q66 PolarHBondContact O-N 3.43Å
67	C	60.1	Low	68.3	Low	4 Å²	4	59.9 Å²	59.9	3%	0.027	34%	0.34	C	S	.	.			trans	-97	24.3	-172.9	-65.5	0	0	0	0	114.8	F34 I50 L63 K64 S69 Y70	F34-C67 VanDerWaalsContact CE1-SG 3.57Å; F34-C67 VanDerWaalsContact CZ-SG 3.51Å; I50-C67 HydrophobicContact CD1-CB 4.25Å; L63-C67 WeakPolarHBondContact O-CB 3.41Å; L63-C67 PolarHBondContact O-N 2.9Å; L63-C67 PolarHBondContact O-SG 3.12Å; K64-C67 PolarHBondContact O-N 3.26Å; C67-S69 PolarHBondContact O-N 3.29Å; C67-Y70 HydrophobicContact CB-CD2 4.09Å; C67-Y70 PolarHBondContact O-N 3.3Å
68	G	55.8	Low	69	Low	77 Å²	77	57.5 Å²	57.5	79%	0.794	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-20	-161.7	0	0	0	0	0	118.5
69	S	61.5	Low	69.2	Low	84 Å²	84	61 Å²	61	59%	0.587	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-17.1	175.6	56.3	0	0	0	0	114.9	E41 C67	E41-S69 PolarHBondContact OE1-OG 3.4Å; C67-S69 PolarHBondContact O-N 3.29Å
70	Y	76.3	Confident	69.5	Low	36 Å²	36	64.1 Å²	64.1	14%	0.141	36%	0.362	C	S	.	.	S	Bend	trans	-95.4	153.6	-165.8	-54.9	-50.2	0	0	0	113.8	F34 L37 E41 N48 I50 C67 F72	F34-Y70 HydrophobicContact CD1-CE2 4.34Å; F34-Y70 HydrophobicContact CE1-CE2 4.28Å; L37-Y70 HydrophobicContact CB-CE1 4.46Å; L37-Y70 HydrophobicContact CD1-CD2 4.48Å; L37-Y70 HydrophobicContact CD1-CE2 4.21Å; E41-Y70 VanDerWaalsContact CD-CE1 3.42Å; E41-Y70 HydrophobicContact CG-CE1 4.27Å; E41-Y70 VanDerWaalsContact OE1-CE1 3.25Å; E41-Y70 WeakPolarHBondContact OE1-CE1 3.4Å; E41-Y70 WeakPolarHBondContact OE2-CE1 3.44Å; E41-Y70 PolarHBondContact OE2-OH 3.46Å; N48-Y70 HydrophobicContact CB-CD1 3.83Å; N48-Y70 HydrophobicContact CB-CE1 4.27Å; I50-Y70 HydrophobicContact CD1-CD2 3.5Å; I50-Y70 VanDerWaalsContact CD1-CD2 3.5Å; I50-Y70 HydrophobicContact CD1-CE2 4.35Å; I50-Y70 HydrophobicContact CD1-CG 3.92Å; C67-Y70 HydrophobicContact CB-CD2 4.09Å; C67-Y70 PolarHBondContact O-N 3.3Å; Y70-F72 PolarHBondContact O-N 3.28Å
71	T	76.6	Confident	69.6	Low	63 Å²	63	66 Å²	66	39%	0.387	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	91.6	175.9	-63.5	0	0	0	0	110.1	N48 I49 I50 L118	N48-T71 PolarHBondContact O-N 3.07Å; I49-T71 CarbonylContact C-O 3.58Å; I49-T71 WeakPolarHBondContact CA-O 3.36Å; I49-T71 HydrophobicContact CG1-CG2 4.26Å; I50-T71 PolarHBondContact N-O 3.26Å; T71-L118 HydrophobicContact CG2-CD1 4.1Å; T71-L118 HydrophobicContact CG2-CD2 4.48Å
72	F	78.2	Confident	70.2	Confident	43 Å²	43	64.7 Å²	64.7	19%	0.189	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	128.7	-177.1	-169.1	-100.3	0	0	0	112.6	I50 Y52 L60 L63 Y70 P74	I50-F72 HydrophobicContact CB-CD2 3.94Å; I50-F72 HydrophobicContact CG2-CD2 3.58Å; I50-F72 HydrophobicContact CG2-CE2 3.74Å; Y52-F72 HydrophobicContact CD1-CZ 4.23Å; Y52-F72 HydrophobicContact CG-CE2 4.48Å; Y52-F72 AromaticContact CG-CZ 3.95Å; Y52-F72 HydrophobicContact CG-CZ 3.95Å; L60-F72 HydrophobicContact CD1-CE1 3.7Å; L60-F72 HydrophobicContact CD1-CZ 3.96Å; L60-F72 HydrophobicContact CG-CE1 4.5Å; L63-F72 HydrophobicContact CD2-CE2 3.84Å; L63-F72 HydrophobicContact CD2-CZ 4.19Å; L63-F72 HydrophobicContact CG-CE2 4.24Å; Y70-F72 PolarHBondContact O-N 3.28Å; F72-P74 HydrophobicContact CD1-CG 4.15Å; F72-P74 HydrophobicContact CE1-CG 3.92Å
73	I	81.4	Confident	70.9	Confident	12 Å²	12	65 Å²	65	6%	0.062	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	104.3	179.4	-48.6	178.2	0	0	0	109.5	I49 I50 L51 Y52 A85 L111 L115 L118	I49-I73 HydrophobicContact CG2-CD1 3.62Å; I49-I73 HydrophobicContact CG2-CG1 4.14Å; I50-I73 PolarHBondContact O-N 2.96Å; L51-I73 HydrophobicContact CD2-CB 3.94Å; L51-I73 HydrophobicContact CD2-CD1 4.11Å; L51-I73 HydrophobicContact CD2-CG1 4.44Å; L51-I73 HydrophobicContact CD2-CG2 4.46Å; Y52-I73 PolarHBondContact N-O 3.43Å; Y52-I73 VanDerWaalsContact N-O 3.1Å; I73-A85 HydrophobicContact CG2-CB 4.11Å; I73-L111 HydrophobicContact CG2-CD1 3.77Å; I73-L115 HydrophobicContact CD1-CD2 4.09Å; I73-L118 HydrophobicContact CD1-CD1 3.58Å
74	P	79.6	Confident	71.5	Confident	19 Å²	19	65.6 Å²	65.6	12%	0.123	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	141.4	166	-8	23.2	0	0	0	110	Y52 L60 F72 C86	Y52-P74 WeakPolarHBondContact O-CA 3.32Å; L60-P74 HydrophobicContact CD1-CB 4.16Å; L60-P74 HydrophobicContact CD1-CG 4.27Å; F72-P74 HydrophobicContact CD1-CG 4.15Å; F72-P74 HydrophobicContact CE1-CG 3.92Å; P74-C86 WeakPolarHBondContact CB-O 3.34Å; P74-C86 WeakPolarHBondContact CD-O 3.45Å; P74-C86 VanDerWaalsContact CG-O 3.29Å; P74-C86 WeakPolarHBondContact CG-O 3.34Å; P74-C86 PolarHBondContact O-N 2.63Å
75	Y	82.4	Confident	72.2	Confident	25 Å²	25	60.7 Å²	60.7	10%	0.098	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	154.9	173.2	79.5	-98.5	0	0	0	112.4	E23 L51 Y52 C53 Y54 V77 V83 F84 L111	E23-Y75 HydrophobicContact CG-CE1 4.46Å; E23-Y75 PolarHBondContact OE1-OH 2.88Å; E23-Y75 VanDerWaalsContact OE1-OH 3.05Å; L51-Y75 HydrophobicContact CB-CD1 4.21Å; L51-Y75 HydrophobicContact CB-CE1 4.12Å; Y52-Y75 WeakPolarHBondContact O-CD1 3.29Å; Y52-Y75 PolarHBondContact O-N 2.96Å; C53-Y75 WeakPolarHBondContact CA-O 3.38Å; C53-Y75 HydrophobicContact CB-CE1 3.99Å; C53-Y75 HydrophobicContact CB-CE2 3.89Å; Y54-Y75 PolarHBondContact N-O 3.43Å; Y75-V77 HydrophobicContact CD2-CG2 4.29Å; Y75-V77 HydrophobicContact CE2-CG2 3.86Å; Y75-V83 HydrophobicContact CD2-CG1 3.43Å; Y75-V83 VanDerWaalsContact CD2-CG1 3.43Å; Y75-V83 HydrophobicContact CE2-CG1 3.91Å; Y75-V83 HydrophobicContact CG-CG1 4.13Å; Y75-F84 CarbonylContact C-O 3.6Å; Y75-F84 WeakPolarHBondContact CA-O 3.29Å; Y75-F84 VanDerWaalsContact CB-O 3.29Å; Y75-F84 WeakPolarHBondContact CB-O 3.46Å; Y75-L111 HydrophobicContact CD1-CD2 4.16Å; Y75-L111 HydrophobicContact CD2-CD2 4.49Å; Y75-L111 HydrophobicContact CG-CD2 3.99Å
76	V	77.6	Confident	72.3	Confident	38 Å²	38	54.7 Å²	54.7	23%	0.23	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143.8	176.9	177.3	0	0	0	0	109.6	Y54 F84 C86 M91	Y54-V76 HydrophobicContact CD1-CG2 4.19Å; V76-F84 PolarHBondContact N-O 3.1Å; V76-F84 PolarHBondContact O-N 2.97Å; V76-C86 HydrophobicContact CG2-CB 4.4Å; V76-M91 HydrophobicContact CG2-CE 3.94Å; V76-M91 HydrophobicContact CG2-SD 3.92Å
77	V	76.2	Confident	72.4	Confident	71 Å²	71	52.8 Å²	52.8	43%	0.43	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	124.6	172.9	-172.1	0	0	0	0	108.4	Y75 K82 V83	Y75-V77 HydrophobicContact CD2-CG2 4.29Å; Y75-V77 HydrophobicContact CE2-CG2 3.86Å; V77-K82 CarbonylContact C-O 3.52Å; V77-K82 WeakPolarHBondContact CA-O 3.46Å; V77-V83 HydrophobicContact CG2-CG2 4.35Å
78	S	72.4	Confident	72.3	Confident	22 Å²	22	54.5 Å²	54.5	15%	0.154	34%	0.34	C	S	.	.			trans	-72.8	161.3	177.8	81.5	0	0	0	0	111.5	Q80 G81 K82	S78-Q80 PolarHBondContact O-N 2.89Å; S78-Q80 PolarHBondContact OG-N 3.22Å; S78-G81 PolarHBondContact O-N 3.15Å; S78-K82 PolarHBondContact N-O 3.01Å; S78-K82 PolarHBondContact OG-N 3.38Å
79	P	61.3	Low	72.3	Confident	145 Å²	145	55.7 Å²	55.7	94%	0.942	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-12	173.7	-25.1	35.3	0	0	0	114.7
80	Q	68.4	Low	72.1	Confident	138 Å²	138	56.4 Å²	56.4	65%	0.645	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	5.6	178.1	-57.1	171.1	20.4	0	0	112.5	S78 K82 E105	S78-Q80 PolarHBondContact O-N 2.89Å; S78-Q80 PolarHBondContact OG-N 3.22Å; Q80-K82 PolarHBondContact O-N 3.49Å; Q80-E105 PolarHBondContact OE1-OE1 2.99Å
81	G	67.2	Low	71.2	Confident	54 Å²	54	55.7 Å²	55.7	56%	0.557	33%	0.326	S	S	*	.	S	Bend	trans	81.4	4.1	178.3	0	0	0	0	0	115.9	S78	S78-G81 PolarHBondContact O-N 3.15Å
82	K	73.9	Confident	70.2	Confident	83 Å²	83	56.3 Å²	56.3	36%	0.361	33%	0.33	S	S	.	.			trans	-77.6	146.9	175.2	-59.4	176.5	-164.6	140.5	0	110.3	V77 S78 Q80 F84 E105	V77-K82 CarbonylContact C-O 3.52Å; V77-K82 WeakPolarHBondContact CA-O 3.46Å; S78-K82 PolarHBondContact N-O 3.01Å; S78-K82 PolarHBondContact OG-N 3.38Å; Q80-K82 PolarHBondContact O-N 3.49Å; K82-F84 HydrophobicContact CB-CD2 4.42Å; K82-F84 HydrophobicContact CB-CE2 3.62Å; K82-F84 HydrophobicContact CB-CZ 3.95Å; K82-F84 HydrophobicContact CD-CE2 4.45Å; K82-F84 HydrophobicContact CD-CZ 4.13Å; K82-E105 WeakPolarHBondContact CD-OE1 3.34Å; K82-E105 IonicContact NZ-OE1 2.84Å; K82-E105 PolarHBondContact NZ-OE1 3.25Å; K82-E105 IonicContact NZ-OE2 3.81Å; K82-E105 PolarHBondContact NZ-OE2 2.96Å
83	V	79.7	Confident	69	Low	53 Å²	53	57.4 Å²	57.4	32%	0.321	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120.6	-174.8	-168.9	0	0	0	0	110.9	Y75 V77 L111	Y75-V83 HydrophobicContact CD2-CG1 3.43Å; Y75-V83 VanDerWaalsContact CD2-CG1 3.43Å; Y75-V83 HydrophobicContact CE2-CG1 3.91Å; Y75-V83 HydrophobicContact CG-CG1 4.13Å; V77-V83 HydrophobicContact CG2-CG2 4.35Å; V83-L111 HydrophobicContact CG1-CB 4.06Å; V83-L111 HydrophobicContact CG1-CD2 3.71Å; V83-L111 PolarHBondContact O-N 3.04Å; V83-L111 VanDerWaalsContact O-N 3.1Å
84	F	78.8	Confident	67.8	Low	19 Å²	19	58.2 Å²	58.2	8%	0.083	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	142.5	-175.7	-61.3	-82.5	0	0	0	111	Y75 V76 K82 E105 L108	Y75-F84 CarbonylContact C-O 3.6Å; Y75-F84 WeakPolarHBondContact CA-O 3.29Å; Y75-F84 VanDerWaalsContact CB-O 3.29Å; Y75-F84 WeakPolarHBondContact CB-O 3.46Å; V76-F84 PolarHBondContact N-O 3.1Å; V76-F84 PolarHBondContact O-N 2.97Å; K82-F84 HydrophobicContact CB-CD2 4.42Å; K82-F84 HydrophobicContact CB-CE2 3.62Å; K82-F84 HydrophobicContact CB-CZ 3.95Å; K82-F84 HydrophobicContact CD-CE2 4.45Å; K82-F84 HydrophobicContact CD-CZ 4.13Å; F84-E105 HydrophobicContact CZ-CB 4.36Å; F84-E105 HydrophobicContact CZ-CG 4.33Å; F84-L108 HydrophobicContact CB-CB 3.98Å; F84-L108 HydrophobicContact CB-CD1 4.36Å; F84-L108 HydrophobicContact CD1-CB 3.56Å; F84-L108 WeakPolarHBondContact CD1-O 3.48Å; F84-L108 HydrophobicContact CD2-CD1 4.39Å; F84-L108 HydrophobicContact CE1-CB 4.17Å; F84-L108 HydrophobicContact CG-CB 3.85Å; F84-L108 HydrophobicContact CG-CD1 4.23Å
85	A	79.4	Confident	66.6	Low	17 Å²	17	62.1 Å²	62.1	14%	0.14	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	144.7	167.8	0	0	0	0	0	109.6	I73 T109 L111 R114	I73-A85 HydrophobicContact CG2-CB 4.11Å; A85-T109 PolarHBondContact N-O 3.01Å; A85-L111 HydrophobicContact CB-CD1 4.14Å; A85-R114 HydrophobicContact CB-CB 4.38Å; A85-R114 HydrophobicContact CB-CG 4.49Å
86	C	68.6	Low	65.1	Low	12 Å²	12	69.5 Å²	69.5	8%	0.081	40%	0.397	C	S	.	.			trans	-138.2	142.5	-177.2	-59	0	0	0	0	111.2	P74 V76 M91	P74-C86 WeakPolarHBondContact CB-O 3.34Å; P74-C86 WeakPolarHBondContact CD-O 3.45Å; P74-C86 VanDerWaalsContact CG-O 3.29Å; P74-C86 WeakPolarHBondContact CG-O 3.34Å; P74-C86 PolarHBondContact O-N 2.63Å; V76-C86 HydrophobicContact CG2-CB 4.4Å; C86-M91 HydrophobicContact CB-CG 3.97Å; C86-M91 HydrophobicContact CB-SD 4.05Å
87	D	64.4	Low	63.8	Low	94 Å²	94	72 Å²	72	50%	0.503	41%	0.409	S	S	.	.			trans	-95	149.9	166.2	-161.1	-5.3	0	0	0	110	T89 M90 M91	D87-T89 PolarHBondContact O-N 3.02Å; D87-M90 PolarHBondContact O-N 3.44Å; D87-M91 PolarHBondContact O-N 3.47Å
88	A	57.8	Low	62.2	Low	39 Å²	39	75.2 Å²	75.2	32%	0.322	42%	0.42	S	S	.	.	H	α-helix	trans	-60.7	-35	-174.5	0	0	0	0	0	112.4	L60 M90 M91 T92	L60-A88 HydrophobicContact CD2-CB 4.07Å; A88-M90 VanDerWaalsContact C-N 3.35Å; A88-M91 PolarHBondContact O-N 3.31Å; A88-T92 PolarHBondContact O-N 3.38Å
89	T	57	Low	61.1	Low	102 Å²	102	80.8 Å²	80.8	63%	0.626	44%	0.444	S	S	*	.	H	α-helix	trans	-68.8	-28.3	176.8	52.2	0	0	0	0	113.6	D87 T92	D87-T89 PolarHBondContact O-N 3.02Å; T89-T92 PolarHBondContact O-OG1 2.97Å
90	M	57.7	Low	60.4	Low	100 Å²	100	80.8 Å²	80.8	49%	0.493	44%	0.444	S	S	.	.	H	α-helix	trans	-75.3	-38.4	172.7	-73.6	-175.1	165.2	0	0	111	D87 A88 T92 C93 I94	D87-M90 PolarHBondContact O-N 3.44Å; A88-M90 VanDerWaalsContact C-N 3.35Å; M90-T92 PolarHBondContact O-N 3.09Å; M90-C93 WeakPolarHBondContact O-CB 3.49Å; M90-C93 PolarHBondContact O-N 3.19Å; M90-I94 HydrophobicContact CB-CD1 4.44Å; M90-I94 VanDerWaalsContact O-CG1 3.23Å; M90-I94 WeakPolarHBondContact O-CG1 3.29Å; M90-I94 PolarHBondContact O-N 3.4Å
91	M	56.1	Low	59.2	Low	20 Å²	20	78.4 Å²	78.4	10%	0.099	44%	0.443	C	S	.	.	H	α-helix	trans	-67.4	-31.6	-175	-73.3	-55.9	-59.4	0	0	114.3	Y54 V76 C86 D87 A88 I94 K95	Y54-M91 HydrophobicContact CD1-CE 3.88Å; Y54-M91 HydrophobicContact CE1-CB 4.45Å; Y54-M91 HydrophobicContact CE1-CE 3.67Å; Y54-M91 HydrophobicContact CE1-CG 4.46Å; V76-M91 HydrophobicContact CG2-CE 3.94Å; V76-M91 HydrophobicContact CG2-SD 3.92Å; C86-M91 HydrophobicContact CB-CG 3.97Å; C86-M91 HydrophobicContact CB-SD 4.05Å; D87-M91 PolarHBondContact O-N 3.47Å; A88-M91 PolarHBondContact O-N 3.31Å; M91-I94 PolarHBondContact O-N 3.4Å; M91-I94 HydrophobicContact SD-CD1 3.84Å; M91-K95 WeakPolarHBondContact O-CG 3.09Å; M91-K95 PolarHBondContact O-N 3.19Å
92	T	57.3	Low	58.3	Low	76 Å²	76	80.6 Å²	80.6	47%	0.466	44%	0.441	S	S	.	.	H	α-helix	trans	-64.3	-47.4	170	35.9	0	0	0	0	111.8	A88 T89 M90 I94 K95 E96	A88-T92 PolarHBondContact O-N 3.38Å; T89-T92 PolarHBondContact O-OG1 2.97Å; M90-T92 PolarHBondContact O-N 3.09Å; T92-I94 VanDerWaalsContact C-N 3.28Å; T92-I94 PolarHBondContact O-N 3.36Å; T92-K95 PolarHBondContact O-N 3Å; T92-E96 PolarHBondContact O-N 2.7Å
93	C	51.8	Low	57.2	Low	67 Å²	67	85.3 Å²	85.3	45%	0.453	46%	0.464	S	S	.	.	H	α-helix	trans	-59.5	-39.1	175.4	-169.8	0	0	0	0	112	M90 E96 L97	M90-C93 WeakPolarHBondContact O-CB 3.49Å; M90-C93 PolarHBondContact O-N 3.19Å; C93-E96 PolarHBondContact O-N 2.97Å; C93-L97 WeakPolarHBondContact O-CB 3.39Å; C93-L97 PolarHBondContact O-N 3.1Å; C93-L97 VanDerWaalsContact O-N 3.15Å
94	I	56.1	Low	56	Low	28 Å²	28	84.7 Å²	84.7	14%	0.144	46%	0.459	C	S	.	.	H	α-helix	trans	-65.1	-42.1	176.2	-68.4	168.7	0	0	0	111.5	M90 M91 T92 E96 L97 M98 L104 L108	M90-I94 HydrophobicContact CB-CD1 4.44Å; M90-I94 VanDerWaalsContact O-CG1 3.23Å; M90-I94 WeakPolarHBondContact O-CG1 3.29Å; M90-I94 PolarHBondContact O-N 3.4Å; M91-I94 PolarHBondContact O-N 3.4Å; M91-I94 HydrophobicContact SD-CD1 3.84Å; T92-I94 VanDerWaalsContact C-N 3.28Å; T92-I94 PolarHBondContact O-N 3.36Å; I94-E96 VanDerWaalsContact C-N 3.3Å; I94-E96 PolarHBondContact O-N 2.92Å; I94-L97 PolarHBondContact O-N 2.91Å; I94-M98 VanDerWaalsContact O-CG 3.29Å; I94-M98 WeakPolarHBondContact O-CG 3.41Å; I94-M98 PolarHBondContact O-N 3.34Å; I94-L104 HydrophobicContact CD1-CD2 4Å; I94-L104 HydrophobicContact CG1-CD2 3.6Å; I94-L104 HydrophobicContact CG2-CD2 4.34Å; I94-L108 HydrophobicContact CD1-CD2 4.22Å
95	K	54.3	Low	54.9	Low	102 Å²	102	87 Å²	87	44%	0.443	47%	0.47	S	S	.	.	H	α-helix	trans	-59.9	-37.8	177.1	-78.2	179.2	-179.6	-177.3	0	112.7	Y54 D57 M91 T92	Y54-K95 WeakPolarHBondContact OH-CE 3.41Å; Y54-K95 PolarHBondContact OH-NZ 2.95Å; D57-K95 IonicContact OD1-NZ 2.85Å; D57-K95 IonicContact OD2-NZ 2.65Å; D57-K95 PolarHBondContact OD2-NZ 3.3Å; M91-K95 WeakPolarHBondContact O-CG 3.09Å; M91-K95 PolarHBondContact O-N 3.19Å; T92-K95 PolarHBondContact O-N 3Å
96	E	51.8	Low	53.8	Low	179 Å²	179	91.6 Å²	91.6	84%	0.836	50%	0.498	S	S	*	.	H	α-helix	trans	-75.4	-27.7	177.8	-65	-172.5	153.5	0	0	113.1	T92 C93 I94	T92-E96 PolarHBondContact O-N 2.7Å; C93-E96 PolarHBondContact O-N 2.97Å; I94-E96 VanDerWaalsContact C-N 3.3Å; I94-E96 PolarHBondContact O-N 2.92Å
97	L	49.4	Very low	53.2	Low	92 Å²	92	97.2 Å²	97.2	48%	0.482	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	11.1	-178.4	-78	166	0	0	0	115.2	C93 I94 Q99	C93-L97 WeakPolarHBondContact O-CB 3.39Å; C93-L97 PolarHBondContact O-N 3.1Å; C93-L97 VanDerWaalsContact O-N 3.15Å; I94-L97 PolarHBondContact O-N 2.91Å; L97-Q99 PolarHBondContact O-N 3.48Å
98	M	42.7	Very low	53.2	Low	138 Å²	138	94.3 Å²	94.3	68%	0.68	51%	0.512	S	S	*	.			trans	-72.5	61.2	179.9	-78.3	-89.9	92.9	0	0	114.2	I94	I94-M98 VanDerWaalsContact O-CG 3.29Å; I94-M98 WeakPolarHBondContact O-CG 3.41Å; I94-M98 PolarHBondContact O-N 3.34Å
99	Q	50	Low	54	Low	138 Å²	138	95.8 Å²	95.8	65%	0.645	52%	0.517	S	S	*	.			trans	-84.7	148.8	155	-69.5	-163.5	3.8	0	0	110.5	L97 S101	L97-Q99 PolarHBondContact O-N 3.48Å; Q99-S101 PolarHBondContact O-N 2.93Å
100	P	46.3	Very low	55.1	Low	146 Å²	146	93.6 Å²	93.6	95%	0.948	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	4.8	-173.5	-22	34.5	0	0	0	116.8
101	S	43	Very low	56.1	Low	88 Å²	88	89.5 Å²	89.5	62%	0.615	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.4	-7.3	-163.7	50.5	0	0	0	0	115.6	Q99	Q99-S101 PolarHBondContact O-N 2.93Å
102	L	47.5	Very low	57	Low	100 Å²	100	93.1 Å²	93.1	52%	0.524	51%	0.507	S	S	.	.			trans	-91.2	119.2	175.8	-95.8	75.6	0	0	0	111.9	L104	L102-L104 HydrophobicContact CB-CD1 4.06Å; L102-L104 HydrophobicContact CD2-CD1 3.99Å; L102-L104 PolarHBondContact O-N 2.82Å; L102-L104 VanDerWaalsContact O-N 3.16Å
103	Q	51.6	Low	58	Low	181 Å²	181	95.5 Å²	95.5	85%	0.846	51%	0.513	S	S	*	.			trans	-78.4	92.5	167.4	-70.8	-174.3	-11	0	0	110	E105 P106	Q103-E105 VanDerWaalsContact C-N 3.32Å; Q103-E105 PolarHBondContact O-N 3.3Å; Q103-P106 VanDerWaalsContact O-CD 3.28Å; Q103-P106 WeakPolarHBondContact O-CD 3.29Å
104	L	54.8	Low	59.1	Low	40 Å²	40	98.4 Å²	98.4	21%	0.209	51%	0.514	C	S	.	.			trans	-80.9	-5.1	-176.2	-126.5	77.9	0	0	0	115.4	I94 L102 L107	I94-L104 HydrophobicContact CD1-CD2 4Å; I94-L104 HydrophobicContact CG1-CD2 3.6Å; I94-L104 HydrophobicContact CG2-CD2 4.34Å; L102-L104 HydrophobicContact CB-CD1 4.06Å; L102-L104 HydrophobicContact CD2-CD1 3.99Å; L102-L104 PolarHBondContact O-N 2.82Å; L102-L104 VanDerWaalsContact O-N 3.16Å; L104-L107 PolarHBondContact O-N 3.21Å
105	E	55.9	Low	59.9	Low	67 Å²	67	97.9 Å²	97.9	31%	0.313	51%	0.512	S	S	.	.	G	3₁₀ helix	trans	-55.5	-35.4	-176.4	-57.7	-162.1	141.6	0	0	115.6	Q80 K82 F84 Q103 L107 L108	Q80-E105 PolarHBondContact OE1-OE1 2.99Å; K82-E105 WeakPolarHBondContact CD-OE1 3.34Å; K82-E105 IonicContact NZ-OE1 2.84Å; K82-E105 PolarHBondContact NZ-OE1 3.25Å; K82-E105 IonicContact NZ-OE2 3.81Å; K82-E105 PolarHBondContact NZ-OE2 2.96Å; F84-E105 HydrophobicContact CZ-CB 4.36Å; F84-E105 HydrophobicContact CZ-CG 4.33Å; Q103-E105 VanDerWaalsContact C-N 3.32Å; Q103-E105 PolarHBondContact O-N 3.3Å; E105-L107 PolarHBondContact O-N 3.14Å; E105-L107 VanDerWaalsContact O-N 3.15Å; E105-L108 PolarHBondContact O-N 2.87Å
106	P	56.2	Low	60.7	Low	114 Å²	114	96.6 Å²	96.6	74%	0.74	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-67.6	-10.7	-179.7	-22	34.7	0	0	0	115.5	Q103	Q103-P106 VanDerWaalsContact O-CD 3.28Å; Q103-P106 WeakPolarHBondContact O-CD 3.29Å
107	L	55.9	Low	61.6	Low	131 Å²	131	92.9 Å²	92.9	69%	0.686	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-104.2	-1.3	-175	-65.7	172.7	0	0	0	113.5	L104 E105	L104-L107 PolarHBondContact O-N 3.21Å; E105-L107 PolarHBondContact O-N 3.14Å; E105-L107 VanDerWaalsContact O-N 3.15Å
108	L	64.3	Low	62.4	Low	33 Å²	33	90.2 Å²	90.2	17%	0.173	48%	0.481	C	S	.	.	S	Bend	trans	-116	124.6	-173.4	-65.3	175.6	0	0	0	111.2	F84 I94 E105 P110	F84-L108 HydrophobicContact CB-CB 3.98Å; F84-L108 HydrophobicContact CB-CD1 4.36Å; F84-L108 HydrophobicContact CD1-CB 3.56Å; F84-L108 WeakPolarHBondContact CD1-O 3.48Å; F84-L108 HydrophobicContact CD2-CD1 4.39Å; F84-L108 HydrophobicContact CE1-CB 4.17Å; F84-L108 HydrophobicContact CG-CB 3.85Å; F84-L108 HydrophobicContact CG-CD1 4.23Å; I94-L108 HydrophobicContact CD1-CD2 4.22Å; E105-L108 PolarHBondContact O-N 2.87Å; L108-P110 WeakPolarHBondContact O-CD 3.29Å
109	T	74.1	Confident	63.6	Low	70 Å²	70	87.2 Å²	87.2	43%	0.429	47%	0.467	S	S	.	.			trans	-69.8	126.4	177.3	-48.9	0	0	0	0	110.8	A85 L111 E113 R114	A85-T109 PolarHBondContact N-O 3.01Å; T109-L111 PolarHBondContact O-N 2.64Å; T109-E113 HydrophobicContact CG2-CB 4.35Å; T109-R114 HydrophobicContact CG2-CB 4.43Å
110	P	80.8	Confident	64.1	Low	55 Å²	55	85.2 Å²	85.2	36%	0.357	46%	0.461	S	S	.	.	B	Isolated β-bridge	trans	-57.2	136.2	171.7	-24.3	34.6	0	0	0	111.5	L108 V112 E113 R114	L108-P110 WeakPolarHBondContact O-CD 3.29Å; P110-V112 PolarHBondContact O-N 3.2Å; P110-V112 VanDerWaalsContact O-N 3.14Å; P110-E113 HydrophobicContact CB-CB 4.46Å; P110-E113 WeakPolarHBondContact CD-OE2 3.39Å; P110-E113 PolarHBondContact O-N 2.85Å; P110-E113 VanDerWaalsContact O-N 3.08Å; P110-R114 PolarHBondContact O-N 3.4Å
111	L	78.5	Confident	64.7	Low	15 Å²	15	81.4 Å²	81.4	8%	0.079	43%	0.432	C	S	.	.	H	α-helix	trans	-58.4	-34	-176.4	-179.9	61.7	0	0	0	112.5	L51 I73 Y75 V83 A85 T109 R114 L115	L51-L111 HydrophobicContact CD1-CD2 4.49Å; L51-L111 HydrophobicContact CD2-CD1 4.2Å; I73-L111 HydrophobicContact CG2-CD1 3.77Å; Y75-L111 HydrophobicContact CD1-CD2 4.16Å; Y75-L111 HydrophobicContact CD2-CD2 4.49Å; Y75-L111 HydrophobicContact CG-CD2 3.99Å; V83-L111 HydrophobicContact CG1-CB 4.06Å; V83-L111 HydrophobicContact CG1-CD2 3.71Å; V83-L111 PolarHBondContact O-N 3.04Å; V83-L111 VanDerWaalsContact O-N 3.1Å; A85-L111 HydrophobicContact CB-CD1 4.14Å; T109-L111 PolarHBondContact O-N 2.64Å; L111-R114 PolarHBondContact O-N 2.81Å; L111-L115 HydrophobicContact CD1-CD1 4.43Å; L111-L115 HydrophobicContact CD1-CG 4.48Å; L111-L115 HydrophobicContact CG-CD1 4.08Å; L111-L115 WeakPolarHBondContact O-CG 3.36Å; L111-L115 PolarHBondContact O-N 3.31Å
112	V	75.3	Confident	65.4	Low	95 Å²	95	78 Å²	78	58%	0.576	41%	0.408	S	S	*	.	H	α-helix	trans	-62.4	-43.6	177.7	-178.1	0	0	0	0	111.9	P110 L115 V116	P110-V112 PolarHBondContact O-N 3.2Å; P110-V112 VanDerWaalsContact O-N 3.14Å; V112-L115 PolarHBondContact O-N 2.92Å; V112-V116 HydrophobicContact CG1-CG2 4.48Å; V112-V116 WeakPolarHBondContact O-CG2 3.39Å; V112-V116 PolarHBondContact O-N 3.44Å
113	E	76.8	Confident	65.7	Low	126 Å²	126	79.5 Å²	79.5	59%	0.589	41%	0.412	S	S	*	.	H	α-helix	trans	-66.1	-41.3	-179.6	-174.3	175	-162.1	0	0	111.1	T109 P110 L115 V116 H117	T109-E113 HydrophobicContact CG2-CB 4.35Å; P110-E113 HydrophobicContact CB-CB 4.46Å; P110-E113 WeakPolarHBondContact CD-OE2 3.39Å; P110-E113 PolarHBondContact O-N 2.85Å; P110-E113 VanDerWaalsContact O-N 3.08Å; E113-L115 PolarHBondContact O-N 3.11Å; E113-V116 PolarHBondContact O-N 3.3Å; E113-H117 PolarHBondContact O-N 3.38Å; E113-H117 VanDerWaalsContact O-N 3.09Å
114	R	75.1	Confident	65.9	Low	128 Å²	128	75.4 Å²	75.4	48%	0.483	40%	0.395	S	S	.	.	H	α-helix	trans	-64	-39	175.5	-169.7	60.7	173.1	-175.8	0.1	112.3	A85 T109 P110 L111 L118	A85-R114 HydrophobicContact CB-CB 4.38Å; A85-R114 HydrophobicContact CB-CG 4.49Å; T109-R114 HydrophobicContact CG2-CB 4.43Å; P110-R114 PolarHBondContact O-N 3.4Å; L111-R114 PolarHBondContact O-N 2.81Å; R114-L118 WeakPolarHBondContact O-CG 3.4Å; R114-L118 PolarHBondContact O-N 2.83Å
115	L	73.3	Confident	65.8	Low	18 Å²	18	78.4 Å²	78.4	9%	0.094	41%	0.408	C	S	.	.	H	α-helix	trans	-68.6	-42.5	175.5	-76.7	169.9	0	0	0	112.5	V21 I49 L51 I73 L111 V112 E113 H117 L118 L119	V21-L115 HydrophobicContact CG1-CD2 4.45Å; I49-L115 HydrophobicContact CD1-CD2 4.41Å; I49-L115 HydrophobicContact CG2-CD2 4.21Å; L51-L115 HydrophobicContact CD2-CD2 4.38Å; I73-L115 HydrophobicContact CD1-CD2 4.09Å; L111-L115 HydrophobicContact CD1-CD1 4.43Å; L111-L115 HydrophobicContact CD1-CG 4.48Å; L111-L115 HydrophobicContact CG-CD1 4.08Å; L111-L115 WeakPolarHBondContact O-CG 3.36Å; L111-L115 PolarHBondContact O-N 3.31Å; V112-L115 PolarHBondContact O-N 2.92Å; E113-L115 PolarHBondContact O-N 3.11Å; L115-H117 VanDerWaalsContact C-N 3.33Å; L115-H117 PolarHBondContact O-N 3.44Å; L115-L118 PolarHBondContact O-N 2.85Å; L115-L119 WeakPolarHBondContact O-CB 3.18Å; L115-L119 VanDerWaalsContact O-CG 3.31Å; L115-L119 WeakPolarHBondContact O-CG 3.26Å; L115-L119 PolarHBondContact O-N 3.39Å
116	V	71.7	Confident	66	Low	75 Å²	75	77 Å²	77	46%	0.455	41%	0.405	S	S	.	.	H	α-helix	trans	-59.4	-43.5	176.3	167.4	0	0	0	0	111.2	V112 E113 L118 L119 N120	V112-V116 HydrophobicContact CG1-CG2 4.48Å; V112-V116 WeakPolarHBondContact O-CG2 3.39Å; V112-V116 PolarHBondContact O-N 3.44Å; E113-V116 PolarHBondContact O-N 3.3Å; V116-L118 PolarHBondContact O-N 3.23Å; V116-L119 PolarHBondContact O-N 2.9Å; V116-N120 WeakPolarHBondContact O-CB 3.14Å; V116-N120 PolarHBondContact O-N 2.63Å; V116-N120 PolarHBondContact O-ND2 3.13Å
117	H	70.1	Confident	66.1	Low	101 Å²	101	73 Å²	73	47%	0.468	38%	0.38	S	S	.	.	H	α-helix	trans	-60.3	-44.4	176.2	-178.7	79.6	0	0	0	112.5	E113 L115 N121	E113-H117 PolarHBondContact O-N 3.38Å; E113-H117 VanDerWaalsContact O-N 3.09Å; L115-H117 VanDerWaalsContact C-N 3.33Å; L115-H117 PolarHBondContact O-N 3.44Å; H117-N121 PolarHBondContact NE2-ND2 3.48Å; H117-N121 VanDerWaalsContact O-CG 3.31Å; H117-N121 PolarHBondContact O-N 3.28Å; H117-N121 PolarHBondContact O-ND2 2.94Å
118	L	67.1	Low	66.3	Low	35 Å²	35	71.9 Å²	71.9	18%	0.183	37%	0.371	C	S	.	.	H	α-helix	trans	-67	-42.6	178.8	-70.6	168.3	0	0	0	112.6	I49 T71 I73 R114 L115 V116 N120 N121 V122	I49-L118 HydrophobicContact CD1-CB 4.28Å; I49-L118 HydrophobicContact CD1-CD1 4.41Å; T71-L118 HydrophobicContact CG2-CD1 4.1Å; T71-L118 HydrophobicContact CG2-CD2 4.48Å; I73-L118 HydrophobicContact CD1-CD1 3.58Å; R114-L118 WeakPolarHBondContact O-CG 3.4Å; R114-L118 PolarHBondContact O-N 2.83Å; L115-L118 PolarHBondContact O-N 2.85Å; V116-L118 PolarHBondContact O-N 3.23Å; L118-N120 PolarHBondContact O-N 3.02Å; L118-N121 PolarHBondContact O-N 3.42Å; L118-V122 PolarHBondContact O-N 3.3Å
119	L	66.6	Low	66.4	Low	75 Å²	75	78.8 Å²	78.8	39%	0.393	40%	0.396	S	S	.	.	H	α-helix	trans	-65.8	-37.6	179.9	-71	171.1	0	0	0	112.5	V19 L115 V116 N121 V122 H123	V19-L119 HydrophobicContact CB-CD2 4.11Å; V19-L119 HydrophobicContact CG1-CD2 3.86Å; V19-L119 HydrophobicContact CG2-CD2 3.98Å; L115-L119 WeakPolarHBondContact O-CB 3.18Å; L115-L119 VanDerWaalsContact O-CG 3.31Å; L115-L119 WeakPolarHBondContact O-CG 3.26Å; L115-L119 PolarHBondContact O-N 3.39Å; V116-L119 PolarHBondContact O-N 2.9Å; L119-N121 VanDerWaalsContact C-N 3.32Å; L119-N121 PolarHBondContact O-N 3.41Å; L119-V122 PolarHBondContact O-N 3.35Å; L119-H123 PolarHBondContact O-N 2.94Å; L119-H123 VanDerWaalsContact O-N 3.12Å
120	N	61	Low	66.1	Low	96 Å²	96	79.5 Å²	79.5	51%	0.513	39%	0.393	S	S	.	.	H	α-helix	trans	-60.7	-41.2	174.1	-72.7	-15.8	0	0	0	111.9	V116 L118 V122 H123 I124	V116-N120 WeakPolarHBondContact O-CB 3.14Å; V116-N120 PolarHBondContact O-N 2.63Å; V116-N120 PolarHBondContact O-ND2 3.13Å; L118-N120 PolarHBondContact O-N 3.02Å; N120-V122 PolarHBondContact O-N 3.14Å; N120-H123 PolarHBondContact O-N 3.07Å; N120-I124 WeakPolarHBondContact O-CG1 3.38Å; N120-I124 PolarHBondContact O-N 3.04Å
121	N	59.2	Low	65.7	Low	66 Å²	66	79.6 Å²	79.6	35%	0.353	39%	0.387	S	S	.	.	H	α-helix	trans	-65.8	-37.6	179.1	-64.5	-18.3	0	0	0	112.1	H117 L118 L119 Q125	H117-N121 PolarHBondContact NE2-ND2 3.48Å; H117-N121 VanDerWaalsContact O-CG 3.31Å; H117-N121 PolarHBondContact O-N 3.28Å; H117-N121 PolarHBondContact O-ND2 2.94Å; L118-N121 PolarHBondContact O-N 3.42Å; L119-N121 VanDerWaalsContact C-N 3.32Å; L119-N121 PolarHBondContact O-N 3.41Å; N121-Q125 PolarHBondContact O-N 3.44Å
122	V	57.9	Low	65.5	Low	16 Å²	16	83.4 Å²	83.4	10%	0.097	40%	0.404	C	S	.	.	H	α-helix	trans	-69.4	-38.1	176.6	178.5	0	0	0	0	112	V19 N47 L118 L119 N120 I124 Q125 S126	V19-V122 HydrophobicContact CG2-CB 3.9Å; V19-V122 HydrophobicContact CG2-CG1 3.54Å; V19-V122 HydrophobicContact CG2-CG2 4.01Å; N47-V122 HydrophobicContact CB-CG1 4.23Å; N47-V122 HydrophobicContact CB-CG2 4.25Å; N47-V122 WeakPolarHBondContact ND2-CG1 3.44Å; L118-V122 PolarHBondContact O-N 3.3Å; L119-V122 PolarHBondContact O-N 3.35Å; N120-V122 PolarHBondContact O-N 3.14Å; V122-I124 VanDerWaalsContact C-N 3.26Å; V122-I124 PolarHBondContact O-N 3.15Å; V122-Q125 PolarHBondContact O-N 2.77Å; V122-Q125 VanDerWaalsContact O-N 3.12Å; V122-S126 PolarHBondContact O-N 3.24Å; V122-S126 PolarHBondContact O-OG 3.47Å
123	H	54.6	Low	65.6	Low	133 Å²	133	80.8 Å²	80.8	62%	0.616	39%	0.39	S	S	*	.	H	α-helix	trans	-59.8	-38.8	178.2	-175.2	51.8	0	0	0	112.1	L119 N120 S126 S127	L119-H123 PolarHBondContact O-N 2.94Å; L119-H123 VanDerWaalsContact O-N 3.12Å; N120-H123 PolarHBondContact O-N 3.07Å; H123-S126 WeakPolarHBondContact CA-OG 3.41Å; H123-S126 PolarHBondContact O-N 3.37Å; H123-S126 PolarHBondContact O-OG 3.26Å; H123-S127 PolarHBondContact O-N 2.96Å; H123-S127 VanDerWaalsContact O-N 3.13Å
124	I	55.4	Low	65.7	Low	95 Å²	95	74.9 Å²	74.9	49%	0.487	36%	0.362	S	S	.	.	H	α-helix	trans	-60	-50.7	173.2	-63.9	165.7	0	0	0	110.5	N120 V122 S126 S127 E128	N120-I124 WeakPolarHBondContact O-CG1 3.38Å; N120-I124 PolarHBondContact O-N 3.04Å; V122-I124 VanDerWaalsContact C-N 3.26Å; V122-I124 PolarHBondContact O-N 3.15Å; I124-S126 PolarHBondContact O-N 2.83Å; I124-S127 WeakPolarHBondContact O-CB 3.48Å; I124-S127 PolarHBondContact O-N 3.26Å; I124-S127 VanDerWaalsContact O-N 3.13Å; I124-E128 PolarHBondContact O-N 3.01Å
125	Q	52.8	Low	65.9	Low	103 Å²	103	72.1 Å²	72.1	48%	0.481	35%	0.352	S	S	.	.	H	α-helix	trans	-61.3	-39.4	-179.9	-68.5	174.9	-16.6	0	0	113	N121 V122 S127 E128 Y129	N121-Q125 PolarHBondContact O-N 3.44Å; V122-Q125 PolarHBondContact O-N 2.77Å; V122-Q125 VanDerWaalsContact O-N 3.12Å; Q125-S127 VanDerWaalsContact C-N 3.34Å; Q125-S127 PolarHBondContact O-N 3.05Å; Q125-E128 PolarHBondContact O-N 3.04Å; Q125-Y129 PolarHBondContact O-N 3.04Å
126	S	58.4	Low	66.3	Low	36 Å²	36	76.7 Å²	76.7	25%	0.252	37%	0.373	S	S	.	.	H	α-helix	trans	-64.4	-36.7	175.1	62.1	0	0	0	0	112.8	V122 H123 I124 F130	V122-S126 PolarHBondContact O-N 3.24Å; V122-S126 PolarHBondContact O-OG 3.47Å; H123-S126 WeakPolarHBondContact CA-OG 3.41Å; H123-S126 PolarHBondContact O-N 3.37Å; H123-S126 PolarHBondContact O-OG 3.26Å; I124-S126 PolarHBondContact O-N 2.83Å; S126-F130 PolarHBondContact O-N 2.86Å; S126-F130 VanDerWaalsContact O-N 3.08Å
127	S	58.6	Low	66.9	Low	30 Å²	30	75.4 Å²	75.4	21%	0.21	36%	0.362	C	S	.	.	H	α-helix	trans	-70.3	-40.8	176	-175.8	0	0	0	0	111.7	H123 I124 Q125 F130 R131	H123-S127 PolarHBondContact O-N 2.96Å; H123-S127 VanDerWaalsContact O-N 3.13Å; I124-S127 WeakPolarHBondContact O-CB 3.48Å; I124-S127 PolarHBondContact O-N 3.26Å; I124-S127 VanDerWaalsContact O-N 3.13Å; Q125-S127 VanDerWaalsContact C-N 3.34Å; Q125-S127 PolarHBondContact O-N 3.05Å; S127-F130 PolarHBondContact O-N 3.13Å; S127-R131 WeakPolarHBondContact O-CB 3.36Å; S127-R131 VanDerWaalsContact O-CG 3.27Å; S127-R131 WeakPolarHBondContact O-CG 3.27Å; S127-R131 PolarHBondContact O-N 2.92Å
128	E	61.1	Low	67.6	Low	108 Å²	108	70.7 Å²	70.7	51%	0.505	34%	0.34	S	S	.	.	H	α-helix	trans	-61.9	-45	174.4	-71	-176.3	149.1	0	0	112.1	I124 Q125 F130 R131 E132	I124-E128 PolarHBondContact O-N 3.01Å; Q125-E128 PolarHBondContact O-N 3.04Å; E128-F130 PolarHBondContact O-N 2.8Å; E128-R131 PolarHBondContact O-N 3.2Å; E128-E132 PolarHBondContact O-N 3.29Å
129	Y	66.7	Low	68.3	Low	178 Å²	178	76.5 Å²	76.5	70%	0.698	36%	0.36	S	S	*	.	H	α-helix	trans	-59.8	-45.8	174.9	178.9	-97.4	0	0	0	112.2	Q125 R131 E132 S133	Q125-Y129 PolarHBondContact O-N 3.04Å; Y129-R131 VanDerWaalsContact C-N 3.34Å; Y129-R131 PolarHBondContact O-N 2.86Å; Y129-E132 PolarHBondContact O-N 3.39Å; Y129-S133 PolarHBondContact O-N 3.31Å
130	F	67.4	Low	69.1	Low	85 Å²	85	75.6 Å²	75.6	37%	0.373	36%	0.355	S	S	.	.	H	α-helix	trans	-65.4	-37.5	178.5	-159.9	-84.2	0	0	0	112.1	S126 S127 E128 S133 L134 L166	S126-F130 PolarHBondContact O-N 2.86Å; S126-F130 VanDerWaalsContact O-N 3.08Å; S127-F130 PolarHBondContact O-N 3.13Å; E128-F130 PolarHBondContact O-N 2.8Å; F130-S133 PolarHBondContact O-N 3.35Å; F130-L134 HydrophobicContact CD1-CD1 3.58Å; F130-L134 HydrophobicContact CD1-CG 3.92Å; F130-L134 HydrophobicContact CE1-CD1 3.65Å; F130-L134 HydrophobicContact CE1-CD2 4.15Å; F130-L134 HydrophobicContact CE1-CG 3.81Å; F130-L134 WeakPolarHBondContact O-CG 3.48Å; F130-L134 PolarHBondContact O-N 3.37Å; F130-L166 HydrophobicContact CB-CD2 4.39Å; F130-L166 HydrophobicContact CD1-CD1 3.45Å; F130-L166 VanDerWaalsContact CD1-CD1 3.45Å; F130-L166 HydrophobicContact CD1-CD2 3.87Å; F130-L166 HydrophobicContact CD1-CG 4.32Å; F130-L166 HydrophobicContact CE1-CD1 3.47Å; F130-L166 VanDerWaalsContact CE1-CD1 3.47Å; F130-L166 HydrophobicContact CG-CD1 4.46Å; F130-L166 HydrophobicContact CG-CD2 4.48Å; F130-L166 HydrophobicContact CZ-CD1 4.48Å
131	R	71.8	Confident	70.3	Confident	58 Å²	58	71.1 Å²	71.1	22%	0.219	33%	0.331	C	S	.	.	H	α-helix	trans	-68.5	-32.9	175.3	-71.8	172.3	62.5	-139.5	-7.4	112.6	S127 E128 Y129 R135 L166 T168 D170 I171	S127-R131 WeakPolarHBondContact O-CB 3.36Å; S127-R131 VanDerWaalsContact O-CG 3.27Å; S127-R131 WeakPolarHBondContact O-CG 3.27Å; S127-R131 PolarHBondContact O-N 2.92Å; E128-R131 PolarHBondContact O-N 3.2Å; Y129-R131 VanDerWaalsContact C-N 3.34Å; Y129-R131 PolarHBondContact O-N 2.86Å; R131-R135 WeakPolarHBondContact O-CG 3.49Å; R131-R135 PolarHBondContact O-N 3.36Å; R131-R135 VanDerWaalsContact O-N 3.16Å; R131-R135 PolarHBondContact O-NE 2.69Å; R131-L166 HydrophobicContact CG-CD2 3.74Å; R131-T168 PolarHBondContact NE-OG1 3.33Å; R131-T168 VanDerWaalsContact NE-OG1 3.08Å; R131-T168 PolarHBondContact NH2-OG1 2.91Å; R131-D170 IonicContact NH2-OD1 2.88Å; R131-D170 PolarHBondContact NH2-OD1 3.23Å; R131-D170 IonicContact NH2-OD2 2.75Å; R131-I171 HydrophobicContact CB-CD1 4.02Å; R131-I171 HydrophobicContact CG-CD1 3.87Å
132	E	74.9	Confident	71.3	Confident	95 Å²	95	72.9 Å²	72.9	44%	0.444	33%	0.333	S	S	.	.	H	α-helix	trans	-67.2	-47.4	169.9	-164.2	63	-119.2	0	0	111	E128 Y129 L134 R135 Q136	E128-E132 PolarHBondContact O-N 3.29Å; Y129-E132 PolarHBondContact O-N 3.39Å; E132-L134 VanDerWaalsContact C-N 3.33Å; E132-L134 PolarHBondContact O-N 2.85Å; E132-R135 PolarHBondContact O-N 2.81Å; E132-R135 VanDerWaalsContact O-N 3.1Å; E132-R135 IonicContact OE1-CZ 2.72Å; E132-R135 IonicContact OE1-NH1 3.98Å; E132-R135 PolarHBondContact OE1-NH1 3.28Å; E132-R135 IonicContact OE1-NH2 3.98Å; E132-R135 IonicContact OE2-CZ 2.68Å; E132-R135 IonicContact OE2-NH1 3.12Å; E132-R135 PolarHBondContact OE2-NH1 3.24Å; E132-R135 IonicContact OE2-NH2 2.66Å; E132-R135 PolarHBondContact OE2-NH2 3.47Å; E132-Q136 PolarHBondContact O-N 3.44Å
133	S	76.5	Confident	72.3	Confident	40 Å²	40	77.5 Å²	77.5	28%	0.28	35%	0.354	S	S	.	.	H	α-helix	trans	-56	-45.5	176.4	-168.1	0	0	0	0	111.9	Y129 F130 Q136 E137	Y129-S133 PolarHBondContact O-N 3.31Å; F130-S133 PolarHBondContact O-N 3.35Å; S133-Q136 PolarHBondContact O-N 3.43Å; S133-E137 WeakPolarHBondContact O-CG 3.49Å; S133-E137 PolarHBondContact O-N 2.97Å
134	L	79.2	Confident	73.4	Confident	1 Å²	1	79.8 Å²	79.8	1%	0.005	36%	0.357	C	S	.	.	H	α-helix	trans	-61.6	-43.2	174.8	-76.8	166.8	0	0	0	112.9	F130 E132 Q136 E137 I138 I157 L161 L166 I171	F130-L134 HydrophobicContact CD1-CD1 3.58Å; F130-L134 HydrophobicContact CD1-CG 3.92Å; F130-L134 HydrophobicContact CE1-CD1 3.65Å; F130-L134 HydrophobicContact CE1-CD2 4.15Å; F130-L134 HydrophobicContact CE1-CG 3.81Å; F130-L134 WeakPolarHBondContact O-CG 3.48Å; F130-L134 PolarHBondContact O-N 3.37Å; E132-L134 VanDerWaalsContact C-N 3.33Å; E132-L134 PolarHBondContact O-N 2.85Å; L134-Q136 VanDerWaalsContact C-N 3.3Å; L134-Q136 PolarHBondContact O-N 3.38Å; L134-E137 PolarHBondContact O-N 3.18Å; L134-I138 VanDerWaalsContact O-CG1 3.3Å; L134-I138 WeakPolarHBondContact O-CG1 3.48Å; L134-I138 PolarHBondContact O-N 2.97Å; L134-I157 HydrophobicContact CD2-CG2 4.27Å; L134-L161 HydrophobicContact CD1-CD2 3.53Å; L134-L161 HydrophobicContact CD2-CD2 4.04Å; L134-L161 HydrophobicContact CG-CD2 4.43Å; L134-L166 HydrophobicContact CD1-CB 4.4Å; L134-L166 HydrophobicContact CD1-CD1 4.28Å; L134-I171 HydrophobicContact CB-CD1 4.4Å; L134-I171 HydrophobicContact CD1-CD1 4.14Å
135	R	79.1	Confident	74.5	Confident	70 Å²	70	79 Å²	79	26%	0.264	35%	0.35	S	S	.	.	H	α-helix	trans	-64.9	-36	176.7	-76.1	-175.2	-79.8	100.1	1.7	111.4	R131 E132 R139 D170 I171	R131-R135 WeakPolarHBondContact O-CG 3.49Å; R131-R135 PolarHBondContact O-N 3.36Å; R131-R135 VanDerWaalsContact O-N 3.16Å; R131-R135 PolarHBondContact O-NE 2.69Å; E132-R135 PolarHBondContact O-N 2.81Å; E132-R135 VanDerWaalsContact O-N 3.1Å; E132-R135 IonicContact OE1-CZ 2.72Å; E132-R135 IonicContact OE1-NH1 3.98Å; E132-R135 PolarHBondContact OE1-NH1 3.28Å; E132-R135 IonicContact OE1-NH2 3.98Å; E132-R135 IonicContact OE2-CZ 2.68Å; E132-R135 IonicContact OE2-NH1 3.12Å; E132-R135 PolarHBondContact OE2-NH1 3.24Å; E132-R135 IonicContact OE2-NH2 2.66Å; E132-R135 PolarHBondContact OE2-NH2 3.47Å; R135-R139 WeakPolarHBondContact O-CB 3.41Å; R135-R139 PolarHBondContact O-N 3.01Å; R135-R139 VanDerWaalsContact O-N 3.15Å; R135-D170 WeakPolarHBondContact CD-OD2 3.19Å; R135-D170 IonicContact NE-OD2 3.88Å; R135-D170 PolarHBondContact NE-OD2 2.93Å; R135-I171 HydrophobicContact CG-CG1 3.91Å
136	Q	81.3	Confident	75.5	Confident	115 Å²	115	76.5 Å²	76.5	54%	0.537	34%	0.344	S	S	.	.	H	α-helix	trans	-71	-39.4	173.8	-170.3	170.1	-1.3	0	0	112.5	E132 S133 L134 R139 L140	E132-Q136 PolarHBondContact O-N 3.44Å; S133-Q136 PolarHBondContact O-N 3.43Å; L134-Q136 VanDerWaalsContact C-N 3.3Å; L134-Q136 PolarHBondContact O-N 3.38Å; Q136-R139 PolarHBondContact O-N 3.06Å; Q136-L140 HydrophobicContact CG-CD1 4.04Å; Q136-L140 HydrophobicContact CG-CG 4.39Å; Q136-L140 WeakPolarHBondContact O-CB 3.44Å; Q136-L140 VanDerWaalsContact O-CG 3.27Å; Q136-L140 WeakPolarHBondContact O-CG 3.23Å; Q136-L140 PolarHBondContact O-N 3.49Å
137	E	84.4	Confident	76.4	Confident	48 Å²	48	76.4 Å²	76.4	22%	0.224	35%	0.349	C	S	.	.	H	α-helix	trans	-62	-49.2	174.2	-77.8	-178.5	-155.7	0	0	112.2	S133 L134 R139 L140 A141 I157 R160	S133-E137 WeakPolarHBondContact O-CG 3.49Å; S133-E137 PolarHBondContact O-N 2.97Å; L134-E137 PolarHBondContact O-N 3.18Å; E137-R139 VanDerWaalsContact C-N 3.26Å; E137-R139 PolarHBondContact O-N 2.78Å; E137-L140 PolarHBondContact O-N 2.9Å; E137-A141 WeakPolarHBondContact O-CB 3.43Å; E137-A141 PolarHBondContact O-N 3.49Å; E137-I157 HydrophobicContact CB-CD1 4.32Å; E137-R160 IonicContact OE1-CZ 3.11Å; E137-R160 IonicContact OE1-NH1 3.17Å; E137-R160 IonicContact OE1-NH2 2.72Å; E137-R160 PolarHBondContact OE1-NH2 3.38Å; E137-R160 IonicContact OE2-CZ 2.73Å; E137-R160 VanDerWaalsContact OE2-CZ 3.28Å; E137-R160 IonicContact OE2-NH1 2.92Å; E137-R160 PolarHBondContact OE2-NH1 3.05Å; E137-R160 IonicContact OE2-NH2 2.99Å; E137-R160 PolarHBondContact OE2-NH2 3.03Å; E137-R160 VanDerWaalsContact OE2-NH2 3.13Å
138	I	84.9	Confident	77.4	Confident	1 Å²	1	82.5 Å²	82.5	1%	0.005	37%	0.371	C	S	.	.	H	α-helix	trans	-59.7	-40.3	177.3	-65.6	163.9	0	0	0	110.4	L134 A141 R142 L154 I157 I171 N174 L175 S178	L134-I138 VanDerWaalsContact O-CG1 3.3Å; L134-I138 WeakPolarHBondContact O-CG1 3.48Å; L134-I138 PolarHBondContact O-N 2.97Å; I138-A141 PolarHBondContact O-N 2.9Å; I138-R142 WeakPolarHBondContact O-CG 3.39Å; I138-R142 PolarHBondContact O-N 2.75Å; I138-R142 VanDerWaalsContact O-N 3.16Å; I138-L154 HydrophobicContact CG2-CD2 4.22Å; I138-I157 HydrophobicContact CD1-CG2 4.47Å; I138-I157 HydrophobicContact CG1-CD1 4.32Å; I138-I157 HydrophobicContact CG1-CG2 3.94Å; I138-I171 HydrophobicContact CD1-CG2 4.2Å; I138-N174 HydrophobicContact CG2-CB 4.26Å; I138-L175 HydrophobicContact CD1-CD2 3.7Å; I138-L175 HydrophobicContact CD1-CG 3.92Å; I138-L175 HydrophobicContact CG1-CD2 3.96Å; I138-S178 WeakPolarHBondContact CG2-OG 3.48Å
139	R	82.9	Confident	78.3	Confident	158 Å²	158	79.8 Å²	79.8	60%	0.596	37%	0.367	S	S	*	.	H	α-helix	trans	-63.8	-50	175.4	178.9	177.3	173.3	166.3	2.3	111.8	R135 Q136 E137 A141 R142 E143	R135-R139 WeakPolarHBondContact O-CB 3.41Å; R135-R139 PolarHBondContact O-N 3.01Å; R135-R139 VanDerWaalsContact O-N 3.15Å; Q136-R139 PolarHBondContact O-N 3.06Å; E137-R139 VanDerWaalsContact C-N 3.26Å; E137-R139 PolarHBondContact O-N 2.78Å; R139-A141 VanDerWaalsContact C-N 3.25Å; R139-A141 PolarHBondContact O-N 3.01Å; R139-R142 PolarHBondContact O-N 3.07Å; R139-E143 HydrophobicContact CG-CG 4.49Å; R139-E143 IonicContact CZ-OE1 3.95Å; R139-E143 VanDerWaalsContact CZ-OE1 3.31Å; R139-E143 IonicContact NE-OE1 3.16Å; R139-E143 PolarHBondContact NE-OE1 3.4Å; R139-E143 IonicContact NE-OE2 3.89Å; R139-E143 IonicContact NH2-OE1 2.74Å; R139-E143 PolarHBondContact NH2-OE1 2.66Å; R139-E143 WeakPolarHBondContact O-CG 3.32Å; R139-E143 PolarHBondContact O-N 3.29Å
140	L	82.8	Confident	79.1	Confident	55 Å²	55	71.7 Å²	71.7	29%	0.288	34%	0.336	S	S	.	.	H	α-helix	trans	-62.4	-32.4	178.3	-74.5	170.8	0	0	0	112.1	Q136 E137 E143 R144	Q136-L140 HydrophobicContact CG-CD1 4.04Å; Q136-L140 HydrophobicContact CG-CG 4.39Å; Q136-L140 WeakPolarHBondContact O-CB 3.44Å; Q136-L140 VanDerWaalsContact O-CG 3.27Å; Q136-L140 WeakPolarHBondContact O-CG 3.23Å; Q136-L140 PolarHBondContact O-N 3.49Å; E137-L140 PolarHBondContact O-N 2.9Å; L140-E143 PolarHBondContact O-N 3.47Å; L140-R144 VanDerWaalsContact O-CB 3.27Å; L140-R144 WeakPolarHBondContact O-CB 3.26Å; L140-R144 WeakPolarHBondContact O-CG 3.45Å; L140-R144 PolarHBondContact O-N 3.5Å
141	A	85.3	Confident	79.9	Confident	3 Å²	3	68.4 Å²	68.4	3%	0.025	32%	0.324	C	S	.	.	H	α-helix	trans	-63.1	-50	172.6	0	0	0	0	0	111.1	E137 I138 R139 E143 R144 F145 L150 E153 I157	E137-A141 WeakPolarHBondContact O-CB 3.43Å; E137-A141 PolarHBondContact O-N 3.49Å; I138-A141 PolarHBondContact O-N 2.9Å; R139-A141 VanDerWaalsContact C-N 3.25Å; R139-A141 PolarHBondContact O-N 3.01Å; A141-E143 VanDerWaalsContact C-N 3.26Å; A141-E143 PolarHBondContact O-N 3.4Å; A141-R144 PolarHBondContact O-N 3.33Å; A141-R144 VanDerWaalsContact O-N 3.17Å; A141-F145 HydrophobicContact CB-CD2 4.33Å; A141-F145 PolarHBondContact O-N 3.04Å; A141-L150 HydrophobicContact CB-CD1 3.87Å; A141-E153 HydrophobicContact CB-CG 4.03Å; A141-I157 HydrophobicContact CB-CD1 4.13Å
142	R	82.1	Confident	80.6	Confident	103 Å²	103	69.5 Å²	69.5	39%	0.389	33%	0.331	S	S	.	.	H	α-helix	trans	-61.9	-30.2	175.9	-65.2	171.4	82.4	-157.3	-0.1	113.5	I138 R139 L150 S178 D181	I138-R142 WeakPolarHBondContact O-CG 3.39Å; I138-R142 PolarHBondContact O-N 2.75Å; I138-R142 VanDerWaalsContact O-N 3.16Å; R139-R142 PolarHBondContact O-N 3.07Å; R142-L150 HydrophobicContact CG-CD2 4.4Å; R142-S178 VanDerWaalsContact CD-OG 3.27Å; R142-S178 WeakPolarHBondContact CD-OG 3.49Å; R142-D181 IonicContact CZ-OD2 2.81Å; R142-D181 IonicContact NE-OD2 2.9Å; R142-D181 PolarHBondContact NE-OD2 2.99Å; R142-D181 IonicContact NH2-OD2 2.65Å; R142-D181 PolarHBondContact NH2-OD2 2.88Å
143	E	78.7	Confident	81.1	Confident	113 Å²	113	67.2 Å²	67.2	53%	0.528	32%	0.321	S	S	.	.	H	α-helix	trans	-81.7	-18.2	178.2	-71.7	174	174	0	0	113.1	R139 L140 A141	R139-E143 HydrophobicContact CG-CG 4.49Å; R139-E143 IonicContact CZ-OE1 3.95Å; R139-E143 VanDerWaalsContact CZ-OE1 3.31Å; R139-E143 IonicContact NE-OE1 3.16Å; R139-E143 PolarHBondContact NE-OE1 3.4Å; R139-E143 IonicContact NE-OE2 3.89Å; R139-E143 IonicContact NH2-OE1 2.74Å; R139-E143 PolarHBondContact NH2-OE1 2.66Å; R139-E143 WeakPolarHBondContact O-CG 3.32Å; R139-E143 PolarHBondContact O-N 3.29Å; L140-E143 PolarHBondContact O-N 3.47Å; A141-E143 VanDerWaalsContact C-N 3.26Å; A141-E143 PolarHBondContact O-N 3.4Å
144	R	76.1	Confident	81.5	Confident	181 Å²	181	65.3 Å²	65.3	68%	0.683	31%	0.307	S	S	*	.	H	α-helix	trans	-111.4	-26.4	-176	-70.4	175.3	179.9	-174.6	1.8	115.4	L140 A141	L140-R144 VanDerWaalsContact O-CB 3.27Å; L140-R144 WeakPolarHBondContact O-CB 3.26Å; L140-R144 WeakPolarHBondContact O-CG 3.45Å; L140-R144 PolarHBondContact O-N 3.5Å; A141-R144 PolarHBondContact O-N 3.33Å; A141-R144 VanDerWaalsContact O-N 3.17Å
145	F	78.7	Confident	81.7	Confident	79 Å²	79	67.7 Å²	67.7	35%	0.346	32%	0.324	S	S	.	.			trans	-125.6	146.1	-171.4	-55.7	-63.3	0	0	0	111.6	A141 A149 L150 E153	A141-F145 HydrophobicContact CB-CD2 4.33Å; A141-F145 PolarHBondContact O-N 3.04Å; F145-A149 HydrophobicContact CB-CB 4.44Å; F145-A149 HydrophobicContact CD1-CB 4.49Å; F145-L150 HydrophobicContact CB-CB 3.83Å; F145-L150 HydrophobicContact CB-CD1 4.31Å; F145-L150 WeakPolarHBondContact O-CD2 3.43Å; F145-E153 HydrophobicContact CD2-CB 4Å; F145-E153 HydrophobicContact CD2-CG 3.93Å; F145-E153 HydrophobicContact CE2-CB 4.17Å; F145-E153 HydrophobicContact CE2-CG 3.73Å
146	S	75.2	Confident	81.9	Confident	49 Å²	49	70.9 Å²	70.9	34%	0.343	34%	0.336	S	S	.	.			trans	-123.4	162.9	176.2	60.1	0	0	0	0	111.1	K148 A149 L150	S146-K148 PolarHBondContact O-N 3.03Å; S146-A149 PolarHBondContact O-N 3.41Å; S146-L150 PolarHBondContact O-N 3.19Å
147	G	77.6	Confident	81.9	Confident	35 Å²	35	65.5 Å²	65.5	36%	0.361	31%	0.311	S	S	.	.	H	α-helix	trans	49.2	-129.6	173	0	0	0	0	0	114.7	A149 L150 S151 V182	G147-A149 PolarHBondContact O-N 3.12Å; G147-L150 PolarHBondContact O-N 3.27Å; G147-S151 PolarHBondContact O-N 3.41Å; G147-V182 WeakPolarHBondContact O-CG1 3.42Å
148	K	78.4	Confident	81.7	Confident	158 Å²	158	66 Å²	66	69%	0.687	31%	0.313	S	S	*	.	H	α-helix	trans	-63.4	-37.7	-176.2	-171.9	172	-176.3	-84.1	0	113.2	S146 L150 S151 E152	S146-K148 PolarHBondContact O-N 3.03Å; K148-L150 VanDerWaalsContact C-N 3.27Å; K148-L150 PolarHBondContact O-N 2.84Å; K148-S151 PolarHBondContact O-N 3.45Å; K148-E152 IonicContact NZ-OE1 3.82Å; K148-E152 PolarHBondContact NZ-OE1 3.18Å; K148-E152 PolarHBondContact O-N 3.15Å
149	A	80.4	Confident	81.2	Confident	51 Å²	51	69.7 Å²	69.7	42%	0.421	34%	0.339	S	S	.	.	H	α-helix	trans	-62.4	-35.8	179.3	0	0	0	0	0	112	F145 S146 G147 E153	F145-A149 HydrophobicContact CB-CB 4.44Å; F145-A149 HydrophobicContact CD1-CB 4.49Å; S146-A149 PolarHBondContact O-N 3.41Å; G147-A149 PolarHBondContact O-N 3.12Å; A149-E153 PolarHBondContact O-N 3.35Å
150	L	83.3	Confident	80.6	Confident	8 Å²	8	67.8 Å²	67.8	4%	0.042	33%	0.332	C	S	.	.	H	α-helix	trans	-69.9	-40.7	174.8	177.6	56.8	0	0	0	112.2	A141 R142 F145 S146 G147 K148 E152 E153 L154 V182	A141-L150 HydrophobicContact CB-CD1 3.87Å; R142-L150 HydrophobicContact CG-CD2 4.4Å; F145-L150 HydrophobicContact CB-CB 3.83Å; F145-L150 HydrophobicContact CB-CD1 4.31Å; F145-L150 WeakPolarHBondContact O-CD2 3.43Å; S146-L150 PolarHBondContact O-N 3.19Å; G147-L150 PolarHBondContact O-N 3.27Å; K148-L150 VanDerWaalsContact C-N 3.27Å; K148-L150 PolarHBondContact O-N 2.84Å; L150-E152 VanDerWaalsContact C-N 3.32Å; L150-E152 PolarHBondContact O-N 3.47Å; L150-E153 PolarHBondContact O-N 3.22Å; L150-L154 HydrophobicContact CD1-CD1 3.96Å; L150-L154 HydrophobicContact CD1-CD2 4.37Å; L150-L154 HydrophobicContact CD1-CG 3.85Å; L150-L154 HydrophobicContact CG-CD1 3.86Å; L150-L154 HydrophobicContact CG-CG 4.27Å; L150-L154 WeakPolarHBondContact O-CB 3.31Å; L150-L154 WeakPolarHBondContact O-CD1 3.41Å; L150-L154 WeakPolarHBondContact O-CG 3.46Å; L150-L154 PolarHBondContact O-N 3.16Å; L150-V182 HydrophobicContact CB-CG1 4Å; L150-V182 HydrophobicContact CD2-CG1 3.7Å; L150-V182 HydrophobicContact CG-CG1 4.05Å
151	S	85	Confident	79.9	Confident	16 Å²	16	65.8 Å²	65.8	11%	0.112	32%	0.322	C	S	.	.	H	α-helix	trans	-63.3	-38.2	174.5	-174.8	0	0	0	0	112.1	G147 K148 S155 D184	G147-S151 PolarHBondContact O-N 3.41Å; K148-S151 PolarHBondContact O-N 3.45Å; S151-S155 WeakPolarHBondContact O-CB 3.2Å; S151-S155 PolarHBondContact O-N 3.05Å; S151-S155 PolarHBondContact O-OG 2.88Å; S151-D184 PolarHBondContact OG-OD2 2.89Å
152	E	85.7	Confident	78.6	Confident	80 Å²	80	72.7 Å²	72.7	37%	0.374	36%	0.358	S	S	.	.	H	α-helix	trans	-63.4	-44.5	174.3	-73.2	177.1	-159.2	0	0	112.6	K148 L150 S155 R156	K148-E152 IonicContact NZ-OE1 3.82Å; K148-E152 PolarHBondContact NZ-OE1 3.18Å; K148-E152 PolarHBondContact O-N 3.15Å; L150-E152 VanDerWaalsContact C-N 3.32Å; L150-E152 PolarHBondContact O-N 3.47Å; E152-S155 WeakPolarHBondContact O-CB 3.33Å; E152-S155 PolarHBondContact O-N 3.15Å; E152-R156 WeakPolarHBondContact O-CG 3.33Å; E152-R156 PolarHBondContact O-N 3.42Å
153	E	84.6	Confident	77.6	Confident	48 Å²	48	70.3 Å²	70.3	22%	0.224	36%	0.357	C	S	.	.	H	α-helix	trans	-68.3	-43.7	177.5	-173.1	70.1	173.8	0	0	112.3	A141 F145 A149 L150 S155 R156 I157	A141-E153 HydrophobicContact CB-CG 4.03Å; F145-E153 HydrophobicContact CD2-CB 4Å; F145-E153 HydrophobicContact CD2-CG 3.93Å; F145-E153 HydrophobicContact CE2-CB 4.17Å; F145-E153 HydrophobicContact CE2-CG 3.73Å; A149-E153 PolarHBondContact O-N 3.35Å; L150-E153 PolarHBondContact O-N 3.22Å; E153-S155 PolarHBondContact O-N 2.91Å; E153-R156 WeakPolarHBondContact O-CB 3.49Å; E153-R156 PolarHBondContact O-N 3.41Å; E153-R156 WeakPolarHBondContact OE2-CD 3.31Å; E153-R156 IonicContact OE2-CZ 3.31Å; E153-R156 IonicContact OE2-NE 3.25Å; E153-R156 IonicContact OE2-NH1 3.13Å; E153-R156 PolarHBondContact OE2-NH1 3.31Å; E153-I157 HydrophobicContact CG-CD1 4.41Å; E153-I157 WeakPolarHBondContact O-CG1 3.46Å; E153-I157 PolarHBondContact O-N 3.26Å
154	L	85.6	Confident	76.8	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-57.5	-36.1	174	-70.5	166.9	0	0	0	111.4	I138 L150 I157 Q158 L175 S178 Y179	I138-L154 HydrophobicContact CG2-CD2 4.22Å; L150-L154 HydrophobicContact CD1-CD1 3.96Å; L150-L154 HydrophobicContact CD1-CD2 4.37Å; L150-L154 HydrophobicContact CD1-CG 3.85Å; L150-L154 HydrophobicContact CG-CD1 3.86Å; L150-L154 HydrophobicContact CG-CG 4.27Å; L150-L154 WeakPolarHBondContact O-CB 3.31Å; L150-L154 WeakPolarHBondContact O-CD1 3.41Å; L150-L154 WeakPolarHBondContact O-CG 3.46Å; L150-L154 PolarHBondContact O-N 3.16Å; L154-I157 PolarHBondContact O-N 3.24Å; L154-Q158 WeakPolarHBondContact O-CB 3.31Å; L154-Q158 PolarHBondContact O-N 3.08Å; L154-L175 HydrophobicContact CD2-CD2 4.08Å; L154-S178 VanDerWaalsContact CD1-CB 3.5Å; L154-Y179 HydrophobicContact CB-CD1 4.46Å; L154-Y179 HydrophobicContact CB-CE1 3.69Å; L154-Y179 HydrophobicContact CB-CE2 4.44Å; L154-Y179 HydrophobicContact CD1-CD1 3.88Å; L154-Y179 HydrophobicContact CD1-CE1 3.95Å; L154-Y179 HydrophobicContact CD1-CG 4.3Å; L154-Y179 HydrophobicContact CG-CE1 4.49Å; L154-Y179 PolarHBondContact O-OH 3.48Å
155	S	83.3	Confident	76.1	Confident	51 Å²	51	65.3 Å²	65.3	36%	0.357	35%	0.35	S	S	.	.	H	α-helix	trans	-68.2	-33.2	176	-58.1	0	0	0	0	112.9	S151 E152 E153 Q158 S159	S151-S155 WeakPolarHBondContact O-CB 3.2Å; S151-S155 PolarHBondContact O-N 3.05Å; S151-S155 PolarHBondContact O-OG 2.88Å; E152-S155 WeakPolarHBondContact O-CB 3.33Å; E152-S155 PolarHBondContact O-N 3.15Å; E153-S155 PolarHBondContact O-N 2.91Å; S155-Q158 PolarHBondContact O-N 3.22Å; S155-S159 PolarHBondContact O-N 3.33Å; S155-S159 PolarHBondContact O-OG 2.92Å
156	R	83.2	Confident	75.5	Confident	137 Å²	137	62.2 Å²	62.2	52%	0.517	34%	0.337	S	S	.	.	H	α-helix	trans	-70.9	-35.5	172.2	-63.2	171.9	-162.6	153.3	1.6	112.4	E152 E153 S159	E152-R156 WeakPolarHBondContact O-CG 3.33Å; E152-R156 PolarHBondContact O-N 3.42Å; E153-R156 WeakPolarHBondContact O-CB 3.49Å; E153-R156 PolarHBondContact O-N 3.41Å; E153-R156 WeakPolarHBondContact OE2-CD 3.31Å; E153-R156 IonicContact OE2-CZ 3.31Å; E153-R156 IonicContact OE2-NE 3.25Å; E153-R156 IonicContact OE2-NH1 3.13Å; E153-R156 PolarHBondContact OE2-NH1 3.31Å; R156-S159 PolarHBondContact O-OG 3.38Å
157	I	81.2	Confident	75.4	Confident	2 Å²	2	61 Å²	61	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-67.2	-42.5	172.2	-63	168.6	0	0	0	109.3	L134 E137 I138 A141 E153 L154 S159 R160	L134-I157 HydrophobicContact CD2-CG2 4.27Å; E137-I157 HydrophobicContact CB-CD1 4.32Å; I138-I157 HydrophobicContact CD1-CG2 4.47Å; I138-I157 HydrophobicContact CG1-CD1 4.32Å; I138-I157 HydrophobicContact CG1-CG2 3.94Å; A141-I157 HydrophobicContact CB-CD1 4.13Å; E153-I157 HydrophobicContact CG-CD1 4.41Å; E153-I157 WeakPolarHBondContact O-CG1 3.46Å; E153-I157 PolarHBondContact O-N 3.26Å; L154-I157 PolarHBondContact O-N 3.24Å; I157-S159 PolarHBondContact O-N 3.35Å; I157-R160 PolarHBondContact O-N 3.17Å; I157-R160 VanDerWaalsContact O-N 3.15Å
158	Q	80.3	Confident	75.6	Confident	57 Å²	57	60.5 Å²	60.5	27%	0.266	32%	0.317	S	S	.	.	H	α-helix	trans	-61.3	-42.2	175.3	-171	-177	-7.9	0	0	112.1	L154 S155 R160 L161 Y179	L154-Q158 WeakPolarHBondContact O-CB 3.31Å; L154-Q158 PolarHBondContact O-N 3.08Å; S155-Q158 PolarHBondContact O-N 3.22Å; Q158-R160 PolarHBondContact O-N 3.11Å; Q158-R160 VanDerWaalsContact O-N 3.08Å; Q158-L161 WeakPolarHBondContact O-CB 3.38Å; Q158-L161 PolarHBondContact O-N 2.9Å; Q158-L161 VanDerWaalsContact O-N 3.08Å; Q158-Y179 PolarHBondContact OE1-OH 3.45Å
159	S	74.4	Confident	75.9	Confident	80 Å²	80	55.1 Å²	55.1	56%	0.559	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	10.4	177	72.5	0	0	0	0	114.6	S155 R156 I157	S155-S159 PolarHBondContact O-N 3.33Å; S155-S159 PolarHBondContact O-OG 2.92Å; R156-S159 PolarHBondContact O-OG 3.38Å; I157-S159 PolarHBondContact O-N 3.35Å
160	R	71.6	Confident	76	Confident	118 Å²	118	55.2 Å²	55.2	45%	0.445	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-2.9	168.8	-73.6	164.6	56.4	-146.9	-7.3	112.5	E137 I157 Q158 D162	E137-R160 IonicContact OE1-CZ 3.11Å; E137-R160 IonicContact OE1-NH1 3.17Å; E137-R160 IonicContact OE1-NH2 2.72Å; E137-R160 PolarHBondContact OE1-NH2 3.38Å; E137-R160 IonicContact OE2-CZ 2.73Å; E137-R160 VanDerWaalsContact OE2-CZ 3.28Å; E137-R160 IonicContact OE2-NH1 2.92Å; E137-R160 PolarHBondContact OE2-NH1 3.05Å; E137-R160 IonicContact OE2-NH2 2.99Å; E137-R160 PolarHBondContact OE2-NH2 3.03Å; E137-R160 VanDerWaalsContact OE2-NH2 3.13Å; I157-R160 PolarHBondContact O-N 3.17Å; I157-R160 VanDerWaalsContact O-N 3.15Å; Q158-R160 PolarHBondContact O-N 3.11Å; Q158-R160 VanDerWaalsContact O-N 3.08Å; R160-D162 VanDerWaalsContact C-N 3.3Å; R160-D162 PolarHBondContact O-N 3.14Å
161	L	67.8	Low	76.1	Confident	12 Å²	12	54.9 Å²	54.9	6%	0.063	29%	0.289	C	S	.	.			trans	-91.7	46.5	-180	-70.7	169.5	0	0	0	112.5	L134 Q158 S163 L166 L167 I171 L175	L134-L161 HydrophobicContact CD1-CD2 3.53Å; L134-L161 HydrophobicContact CD2-CD2 4.04Å; L134-L161 HydrophobicContact CG-CD2 4.43Å; Q158-L161 WeakPolarHBondContact O-CB 3.38Å; Q158-L161 PolarHBondContact O-N 2.9Å; Q158-L161 VanDerWaalsContact O-N 3.08Å; L161-S163 VanDerWaalsContact C-N 3.29Å; L161-S163 PolarHBondContact O-N 3.47Å; L161-L166 HydrophobicContact CD2-CB 4.1Å; L161-L167 HydrophobicContact CB-CD2 3.86Å; L161-L167 HydrophobicContact CD1-CD2 4.12Å; L161-L167 HydrophobicContact CG-CD2 4.41Å; L161-I171 HydrophobicContact CD1-CG2 4.28Å; L161-L175 HydrophobicContact CD1-CD1 3.89Å
162	D	57.5	Low	76.2	Confident	149 Å²	149	54.1 Å²	54.1	80%	0.797	28%	0.284	S	S	*	.			trans	-74.1	-14.1	-176.6	-74.3	-24.4	0	0	0	114.2	R160	R160-D162 VanDerWaalsContact C-N 3.3Å; R160-D162 PolarHBondContact O-N 3.14Å
163	S	61.8	Low	76.4	Confident	52 Å²	52	52.3 Å²	52.3	36%	0.364	28%	0.276	S	S	.	.	S	Bend	trans	-102.1	129.8	178.1	53.9	0	0	0	0	112.4	L161 D165 L166	L161-S163 VanDerWaalsContact C-N 3.29Å; L161-S163 PolarHBondContact O-N 3.47Å; S163-D165 PolarHBondContact O-N 2.95Å; S163-L166 PolarHBondContact O-N 2.86Å; S163-L166 VanDerWaalsContact OG-CD1 3.24Å; S163-L166 WeakPolarHBondContact OG-CD1 3.31Å; S163-L166 WeakPolarHBondContact OG-CG 3.49Å
164	V	60.3	Low	76.6	Confident	64 Å²	64	52.6 Å²	52.6	39%	0.388	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-63.4	-30.9	-174.4	-178.8	0	0	0	0	112.1	L166 L167	V164-L166 PolarHBondContact O-N 3.49Å; V164-L167 PolarHBondContact O-N 3.18Å; V164-L167 VanDerWaalsContact O-N 3.07Å
165	D	62.1	Low	76.8	Confident	126 Å²	126	52.6 Å²	52.6	67%	0.674	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-66.8	-15.9	-178.5	-50.5	-68.5	0	0	0	113.6	S163	S163-D165 PolarHBondContact O-N 2.95Å
166	L	66.3	Low	77.1	Confident	13 Å²	13	50.1 Å²	50.1	7%	0.068	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-94.1	-12.2	174.7	-59.9	179.1	0	0	0	113.6	F130 R131 L134 L161 S163 V164 T168 I171	F130-L166 HydrophobicContact CB-CD2 4.39Å; F130-L166 HydrophobicContact CD1-CD1 3.45Å; F130-L166 VanDerWaalsContact CD1-CD1 3.45Å; F130-L166 HydrophobicContact CD1-CD2 3.87Å; F130-L166 HydrophobicContact CD1-CG 4.32Å; F130-L166 HydrophobicContact CE1-CD1 3.47Å; F130-L166 VanDerWaalsContact CE1-CD1 3.47Å; F130-L166 HydrophobicContact CG-CD1 4.46Å; F130-L166 HydrophobicContact CG-CD2 4.48Å; F130-L166 HydrophobicContact CZ-CD1 4.48Å; R131-L166 HydrophobicContact CG-CD2 3.74Å; L134-L166 HydrophobicContact CD1-CB 4.4Å; L134-L166 HydrophobicContact CD1-CD1 4.28Å; L161-L166 HydrophobicContact CD2-CB 4.1Å; S163-L166 PolarHBondContact O-N 2.86Å; S163-L166 VanDerWaalsContact OG-CD1 3.24Å; S163-L166 WeakPolarHBondContact OG-CD1 3.31Å; S163-L166 WeakPolarHBondContact OG-CG 3.49Å; V164-L166 PolarHBondContact O-N 3.49Å; L166-T168 PolarHBondContact O-N 3.14Å; L166-I171 WeakPolarHBondContact O-CD1 3.35Å
167	L	74	Confident	77.5	Confident	23 Å²	23	45.4 Å²	45.4	12%	0.12	25%	0.247	C	C	.	.			trans	-82.9	53	-175.1	-69.5	174.5	0	0	0	112.4	L161 V164 L195 L198	L161-L167 HydrophobicContact CB-CD2 3.86Å; L161-L167 HydrophobicContact CD1-CD2 4.12Å; L161-L167 HydrophobicContact CG-CD2 4.41Å; V164-L167 PolarHBondContact O-N 3.18Å; V164-L167 VanDerWaalsContact O-N 3.07Å; L167-L195 HydrophobicContact CB-CD2 4.32Å; L167-L195 HydrophobicContact CD1-CD2 3.96Å; L167-L195 HydrophobicContact CD2-CD2 4.32Å; L167-L195 HydrophobicContact CG-CD2 4.45Å; L167-L198 HydrophobicContact CD1-CD1 4.02Å
168	T	81.2	Confident	77.9	Confident	26 Å²	26	45.3 Å²	45.3	16%	0.16	25%	0.246	C	C	.	.			trans	-82.6	154.3	-175.2	60.5	0	0	0	0	112.7	R131 L166 D170 I171 V172	R131-T168 PolarHBondContact NE-OG1 3.33Å; R131-T168 VanDerWaalsContact NE-OG1 3.08Å; R131-T168 PolarHBondContact NH2-OG1 2.91Å; L166-T168 PolarHBondContact O-N 3.14Å; T168-D170 WeakPolarHBondContact CB-OD1 3.42Å; T168-D170 PolarHBondContact O-N 2.79Å; T168-D170 VanDerWaalsContact O-N 3.13Å; T168-D170 PolarHBondContact OG1-OD1 3.47Å; T168-I171 PolarHBondContact O-N 3.28Å; T168-V172 PolarHBondContact O-N 2.86Å; T168-V172 VanDerWaalsContact O-N 3.1Å
169	P	83.7	Confident	78.4	Confident	45 Å²	45	42.6 Å²	42.6	29%	0.292	23%	0.233	S	C	.	.	H	α-helix	trans	-59.7	-30.3	-169.4	-23.8	33.4	0	0	0	114.3	M173 A203 H206 I209	P169-M173 WeakPolarHBondContact O-CB 3.33Å; P169-M173 PolarHBondContact O-N 3.46Å; P169-A203 HydrophobicContact CG-CB 4.27Å; P169-H206 WeakPolarHBondContact CG-NE2 3.42Å; P169-I209 HydrophobicContact CB-CD1 4.1Å
170	D	83.2	Confident	79.2	Confident	53 Å²	53	40.5 Å²	40.5	28%	0.283	21%	0.214	S	C	.	.	H	α-helix	trans	-65.4	-43.2	174.8	57	-56.3	0	0	0	112.8	R131 R135 T168 N174	R131-D170 IonicContact NH2-OD1 2.88Å; R131-D170 PolarHBondContact NH2-OD1 3.23Å; R131-D170 IonicContact NH2-OD2 2.75Å; R135-D170 WeakPolarHBondContact CD-OD2 3.19Å; R135-D170 IonicContact NE-OD2 3.88Å; R135-D170 PolarHBondContact NE-OD2 2.93Å; T168-D170 WeakPolarHBondContact CB-OD1 3.42Å; T168-D170 PolarHBondContact O-N 2.79Å; T168-D170 VanDerWaalsContact O-N 3.13Å; T168-D170 PolarHBondContact OG1-OD1 3.47Å; D170-N174 PolarHBondContact O-N 2.96Å; D170-N174 PolarHBondContact O-ND2 3.25Å
171	I	85.4	Confident	79.8	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-70.3	-45.6	178.2	-70.6	167.7	0	0	0	109.9	R131 L134 R135 I138 L161 L166 T168 M173 N174 L175	R131-I171 HydrophobicContact CB-CD1 4.02Å; R131-I171 HydrophobicContact CG-CD1 3.87Å; L134-I171 HydrophobicContact CB-CD1 4.4Å; L134-I171 HydrophobicContact CD1-CD1 4.14Å; R135-I171 HydrophobicContact CG-CG1 3.91Å; I138-I171 HydrophobicContact CD1-CG2 4.2Å; L161-I171 HydrophobicContact CD1-CG2 4.28Å; L166-I171 WeakPolarHBondContact O-CD1 3.35Å; T168-I171 PolarHBondContact O-N 3.28Å; I171-M173 VanDerWaalsContact C-N 3.32Å; I171-M173 PolarHBondContact O-N 3.06Å; I171-N174 PolarHBondContact O-N 2.82Å; I171-L175 HydrophobicContact CG2-CD1 4.44Å; I171-L175 PolarHBondContact O-N 2.66Å
172	V	88.1	Confident	80.7	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.006	21%	0.212	C	C	.	.	H	α-helix	trans	-59.6	-42.5	175.5	177.3	0	0	0	0	111.3	T168 L175 L176 L191 L195 A203 I209	T168-V172 PolarHBondContact O-N 2.86Å; T168-V172 VanDerWaalsContact O-N 3.1Å; V172-L175 PolarHBondContact O-N 3.45Å; V172-L176 HydrophobicContact CG1-CD1 4.01Å; V172-L176 HydrophobicContact CG1-CG 4.45Å; V172-L176 WeakPolarHBondContact O-CB 3.4Å; V172-L176 VanDerWaalsContact O-CG 3.31Å; V172-L176 WeakPolarHBondContact O-CG 3.33Å; V172-L176 PolarHBondContact O-N 3.24Å; V172-L191 HydrophobicContact CG1-CD2 4.48Å; V172-L195 HydrophobicContact CB-CD1 4.3Å; V172-L195 HydrophobicContact CG1-CD1 3.53Å; V172-L195 HydrophobicContact CG2-CD1 3.71Å; V172-L195 HydrophobicContact CG2-CD2 4.49Å; V172-A203 HydrophobicContact CG2-CB 4.21Å; V172-I209 HydrophobicContact CB-CD1 3.95Å; V172-I209 HydrophobicContact CG1-CD1 3.74Å; V172-I209 HydrophobicContact CG1-CG1 4.16Å; V172-I209 HydrophobicContact CG1-CG2 4.37Å
173	M	88.4	Confident	82.2	Confident	42 Å²	42	34.4 Å²	34.4	21%	0.207	19%	0.189	C	C	.	.	H	α-helix	trans	-62.7	-43	175.9	-172.6	73.1	-179.8	0	0	111.9	P169 I171 L176 L177 N208 H212	P169-M173 WeakPolarHBondContact O-CB 3.33Å; P169-M173 PolarHBondContact O-N 3.46Å; I171-M173 VanDerWaalsContact C-N 3.32Å; I171-M173 PolarHBondContact O-N 3.06Å; M173-L176 PolarHBondContact O-N 2.98Å; M173-L177 HydrophobicContact CE-CD1 4.21Å; M173-L177 HydrophobicContact CE-CD2 4.36Å; M173-L177 HydrophobicContact CE-CG 4.32Å; M173-L177 HydrophobicContact CG-CD1 4.1Å; M173-L177 WeakPolarHBondContact O-CB 3.44Å; M173-L177 VanDerWaalsContact O-CG 3.27Å; M173-L177 WeakPolarHBondContact O-CG 3.44Å; M173-L177 PolarHBondContact O-N 2.8Å; M173-N208 HydrophobicContact CE-CB 4.38Å; M173-N208 HydrophobicContact SD-CB 4.18Å; M173-H212 VanDerWaalsContact CE-CD2 3.49Å; M173-H212 WeakPolarHBondContact CE-CD2 3.43Å; M173-H212 VanDerWaalsContact CE-NE2 3.29Å; M173-H212 WeakPolarHBondContact CE-NE2 3.48Å
174	N	88.8	Confident	83.5	Confident	53 Å²	53	34 Å²	34	28%	0.283	18%	0.183	S	C	.	.	H	α-helix	trans	-64.5	-41.2	177.3	-83.7	-78	0	0	0	112.2	I138 D170 I171 L177 S178	I138-N174 HydrophobicContact CG2-CB 4.26Å; D170-N174 PolarHBondContact O-N 2.96Å; D170-N174 PolarHBondContact O-ND2 3.25Å; I171-N174 PolarHBondContact O-N 2.82Å; N174-L177 PolarHBondContact O-N 3.49Å; N174-S178 WeakPolarHBondContact O-CB 3.21Å; N174-S178 PolarHBondContact O-N 2.86Å; N174-S178 PolarHBondContact O-OG 3.01Å
175	L	89.7	Confident	85.1	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.1	-48.3	172.3	-69.7	173.2	0	0	0	111.4	I138 L154 L161 I171 V172 L177 S178 Y179 L191	I138-L175 HydrophobicContact CD1-CD2 3.7Å; I138-L175 HydrophobicContact CD1-CG 3.92Å; I138-L175 HydrophobicContact CG1-CD2 3.96Å; L154-L175 HydrophobicContact CD2-CD2 4.08Å; L161-L175 HydrophobicContact CD1-CD1 3.89Å; I171-L175 HydrophobicContact CG2-CD1 4.44Å; I171-L175 PolarHBondContact O-N 2.66Å; V172-L175 PolarHBondContact O-N 3.45Å; L175-L177 VanDerWaalsContact C-N 3.33Å; L175-L177 PolarHBondContact O-N 3.06Å; L175-S178 WeakPolarHBondContact O-CB 3.37Å; L175-S178 PolarHBondContact O-N 2.87Å; L175-S178 VanDerWaalsContact O-N 3.11Å; L175-Y179 HydrophobicContact CB-CD2 4.45Å; L175-Y179 HydrophobicContact CB-CE2 4.31Å; L175-Y179 WeakPolarHBondContact O-CD2 3.41Å; L175-Y179 PolarHBondContact O-N 2.83Å; L175-L191 HydrophobicContact CB-CD2 3.82Å; L175-L191 HydrophobicContact CD1-CD2 4.17Å
176	L	90.8	Very high	86.5	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.7	-37.5	178.9	-73	172.9	0	0	0	113.4	V172 M173 R180 M188 L191 V192 I209 H212	V172-L176 HydrophobicContact CG1-CD1 4.01Å; V172-L176 HydrophobicContact CG1-CG 4.45Å; V172-L176 WeakPolarHBondContact O-CB 3.4Å; V172-L176 VanDerWaalsContact O-CG 3.31Å; V172-L176 WeakPolarHBondContact O-CG 3.33Å; V172-L176 PolarHBondContact O-N 3.24Å; M173-L176 PolarHBondContact O-N 2.98Å; L176-R180 VanDerWaalsContact O-CB 3.31Å; L176-R180 WeakPolarHBondContact O-CB 3.35Å; L176-R180 PolarHBondContact O-N 2.75Å; L176-R180 VanDerWaalsContact O-N 3.08Å; L176-M188 HydrophobicContact CB-CE 4.2Å; L176-M188 HydrophobicContact CD2-CB 3.72Å; L176-M188 HydrophobicContact CD2-CE 3.98Å; L176-M188 HydrophobicContact CD2-CG 3.9Å; L176-M188 WeakPolarHBondContact O-CE 3.05Å; L176-L191 HydrophobicContact CD2-CD2 4.14Å; L176-L191 HydrophobicContact CG-CD2 4.2Å; L176-V192 HydrophobicContact CD1-CG2 3.93Å; L176-V192 HydrophobicContact CD2-CG2 3.96Å; L176-I209 HydrophobicContact CD1-CB 4.42Å; L176-I209 HydrophobicContact CD1-CG1 4.2Å; L176-I209 HydrophobicContact CD1-CG2 4.01Å; L176-H212 HydrophobicContact CB-CB 4.49Å; L176-H212 HydrophobicContact CD1-CB 4.24Å
177	L	90.3	Very high	87.7	Confident	37 Å²	37	28.2 Å²	28.2	19%	0.194	15%	0.15	C	C	.	.	H	α-helix	trans	-66.2	-41.9	173.1	-71.5	169.1	0	0	0	111.3	M173 N174 L175 R180 D181	M173-L177 HydrophobicContact CE-CD1 4.21Å; M173-L177 HydrophobicContact CE-CD2 4.36Å; M173-L177 HydrophobicContact CE-CG 4.32Å; M173-L177 HydrophobicContact CG-CD1 4.1Å; M173-L177 WeakPolarHBondContact O-CB 3.44Å; M173-L177 VanDerWaalsContact O-CG 3.27Å; M173-L177 WeakPolarHBondContact O-CG 3.44Å; M173-L177 PolarHBondContact O-N 2.8Å; N174-L177 PolarHBondContact O-N 3.49Å; L175-L177 VanDerWaalsContact C-N 3.33Å; L175-L177 PolarHBondContact O-N 3.06Å; L177-R180 PolarHBondContact O-N 2.88Å; L177-D181 VanDerWaalsContact O-CG 3.24Å; L177-D181 PolarHBondContact O-N 3.48Å
178	S	90.1	Very high	88.6	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.1	-47.6	179.2	-50.4	0	0	0	0	112.2	I138 R142 L154 N174 L175 R180 D181 V182	I138-S178 WeakPolarHBondContact CG2-OG 3.48Å; R142-S178 VanDerWaalsContact CD-OG 3.27Å; R142-S178 WeakPolarHBondContact CD-OG 3.49Å; L154-S178 VanDerWaalsContact CD1-CB 3.5Å; N174-S178 WeakPolarHBondContact O-CB 3.21Å; N174-S178 PolarHBondContact O-N 2.86Å; N174-S178 PolarHBondContact O-OG 3.01Å; L175-S178 WeakPolarHBondContact O-CB 3.37Å; L175-S178 PolarHBondContact O-N 2.87Å; L175-S178 VanDerWaalsContact O-N 3.11Å; S178-R180 VanDerWaalsContact C-N 3.32Å; S178-R180 PolarHBondContact O-N 3.3Å; S178-D181 PolarHBondContact O-N 3Å; S178-V182 PolarHBondContact O-N 3.49Å
179	Y	90.8	Very high	89.1	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.8	-35.7	174.8	-71.9	-61.6	0	0	0	112.3	L154 Q158 L175 D181 V182 Q183 D184 A187 M188 L191	L154-Y179 HydrophobicContact CB-CD1 4.46Å; L154-Y179 HydrophobicContact CB-CE1 3.69Å; L154-Y179 HydrophobicContact CB-CE2 4.44Å; L154-Y179 HydrophobicContact CD1-CD1 3.88Å; L154-Y179 HydrophobicContact CD1-CE1 3.95Å; L154-Y179 HydrophobicContact CD1-CG 4.3Å; L154-Y179 HydrophobicContact CG-CE1 4.49Å; L154-Y179 PolarHBondContact O-OH 3.48Å; Q158-Y179 PolarHBondContact OE1-OH 3.45Å; L175-Y179 HydrophobicContact CB-CD2 4.45Å; L175-Y179 HydrophobicContact CB-CE2 4.31Å; L175-Y179 WeakPolarHBondContact O-CD2 3.41Å; L175-Y179 PolarHBondContact O-N 2.83Å; Y179-D181 VanDerWaalsContact C-N 3.33Å; Y179-D181 PolarHBondContact O-N 2.92Å; Y179-V182 CarbonylContact O-C 3.59Å; Y179-V182 VanDerWaalsContact O-CG2 3.27Å; Y179-V182 WeakPolarHBondContact O-CG2 3.13Å; Y179-V182 PolarHBondContact O-N 3.26Å; Y179-Q183 PolarHBondContact O-N 3.05Å; Y179-D184 HydrophobicContact CD1-CB 4.14Å; Y179-D184 PolarHBondContact O-N 2.91Å; Y179-A187 HydrophobicContact CD1-CB 3.56Å; Y179-A187 HydrophobicContact CD2-CB 4.32Å; Y179-A187 HydrophobicContact CE1-CB 3.56Å; Y179-A187 HydrophobicContact CE2-CB 4.33Å; Y179-A187 HydrophobicContact CG-CB 3.96Å; Y179-M188 HydrophobicContact CG-CG 4.49Å; Y179-L191 HydrophobicContact CE2-CD2 4.49Å
180	R	90.4	Very high	89.4	Confident	37 Å²	37	29.6 Å²	29.6	14%	0.14	15%	0.148	C	C	.	.	H	α-helix	trans	-64.1	-36.4	175	-173.1	-167.9	63.5	171.1	-1.4	112.4	L176 L177 S178 V182 Q183 M188 F215 W367	L176-R180 VanDerWaalsContact O-CB 3.31Å; L176-R180 WeakPolarHBondContact O-CB 3.35Å; L176-R180 PolarHBondContact O-N 2.75Å; L176-R180 VanDerWaalsContact O-N 3.08Å; L177-R180 PolarHBondContact O-N 2.88Å; S178-R180 VanDerWaalsContact C-N 3.32Å; S178-R180 PolarHBondContact O-N 3.3Å; R180-V182 VanDerWaalsContact C-N 3.3Å; R180-V182 PolarHBondContact O-N 2.99Å; R180-Q183 PolarHBondContact O-N 2.73Å; R180-M188 HydrophobicContact CB-CE 4.18Å; R180-M188 HydrophobicContact CB-SD 3.84Å; R180-F215 HydrophobicContact CG-CE1 4.19Å; R180-W367 HydrophobicContact CG-CD2 4.34Å; R180-W367 HydrophobicContact CG-CG 4.07Å; R180-W367 VanDerWaalsContact CZ-CE2 3.5Å; R180-W367 VanDerWaalsContact NH2-CZ2 3.34Å
181	D	85.9	Confident	89.7	Confident	51 Å²	51	27.3 Å²	27.3	27%	0.273	14%	0.135	S	C	.	.	H	α-helix	trans	-66.5	-33.1	-179.7	-66.5	-21.5	0	0	0	111.9	R142 L177 S178 Y179 W367	R142-D181 IonicContact CZ-OD2 2.81Å; R142-D181 IonicContact NE-OD2 2.9Å; R142-D181 PolarHBondContact NE-OD2 2.99Å; R142-D181 IonicContact NH2-OD2 2.65Å; R142-D181 PolarHBondContact NH2-OD2 2.88Å; L177-D181 VanDerWaalsContact O-CG 3.24Å; L177-D181 PolarHBondContact O-N 3.48Å; S178-D181 PolarHBondContact O-N 3Å; Y179-D181 VanDerWaalsContact C-N 3.33Å; Y179-D181 PolarHBondContact O-N 2.92Å; D181-W367 PolarHBondContact OD1-NE1 3.35Å
182	V	85.7	Confident	89.9	Confident	35 Å²	35	27.3 Å²	27.3	21%	0.212	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	4	169.8	-60.9	0	0	0	0	114.2	G147 L150 S178 Y179 R180 D184	G147-V182 WeakPolarHBondContact O-CG1 3.42Å; L150-V182 HydrophobicContact CB-CG1 4Å; L150-V182 HydrophobicContact CD2-CG1 3.7Å; L150-V182 HydrophobicContact CG-CG1 4.05Å; S178-V182 PolarHBondContact O-N 3.49Å; Y179-V182 CarbonylContact O-C 3.59Å; Y179-V182 VanDerWaalsContact O-CG2 3.27Å; Y179-V182 WeakPolarHBondContact O-CG2 3.13Å; Y179-V182 PolarHBondContact O-N 3.26Å; R180-V182 VanDerWaalsContact C-N 3.3Å; R180-V182 PolarHBondContact O-N 2.99Å; V182-D184 HydrophobicContact CG2-CB 3.95Å; V182-D184 PolarHBondContact O-N 3Å
183	Q	88.3	Confident	90	Very high	65 Å²	65	30 Å²	30	30%	0.304	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	60	24	-178.4	-47.6	-163.3	-77.3	0	0	115.4	Y179 R180 Y185 W367	Y179-Q183 PolarHBondContact O-N 3.05Å; R180-Q183 PolarHBondContact O-N 2.73Å; Q183-Y185 HydrophobicContact CB-CE2 3.87Å; Q183-Y185 PolarHBondContact NE2-OH 3.16Å; Q183-Y185 VanDerWaalsContact NE2-OH 3.07Å; Q183-Y185 WeakPolarHBondContact O-CD2 3.32Å; Q183-Y185 WeakPolarHBondContact O-CE2 3.37Å; Q183-Y185 PolarHBondContact O-N 3.21Å; Q183-W367 HydrophobicContact CG-CB 4.48Å
184	D	90.7	Very high	89.9	Confident	44 Å²	44	31.6 Å²	31.6	24%	0.235	16%	0.161	C	C	.	.			trans	-81.1	70.3	177	-163.6	-23	0	0	0	111.1	S151 Y179 V182 D186 A187 M188	S151-D184 PolarHBondContact OG-OD2 2.89Å; Y179-D184 HydrophobicContact CD1-CB 4.14Å; Y179-D184 PolarHBondContact O-N 2.91Å; V182-D184 HydrophobicContact CG2-CB 3.95Å; V182-D184 PolarHBondContact O-N 3Å; D184-D186 PolarHBondContact O-N 3.32Å; D184-A187 HydrophobicContact CB-CB 4.25Å; D184-A187 VanDerWaalsContact CG-CB 3.48Å; D184-A187 PolarHBondContact O-N 3.24Å; D184-A187 VanDerWaalsContact OD1-CB 3.31Å; D184-A187 WeakPolarHBondContact OD1-CB 3.16Å; D184-A187 PolarHBondContact OD1-N 2.84Å; D184-M188 WeakPolarHBondContact O-CG 3.32Å; D184-M188 PolarHBondContact O-N 3.28Å
185	Y	92.7	Very high	89.7	Confident	24 Å²	24	29.2 Å²	29.2	9%	0.094	15%	0.148	C	C	.	.	H	α-helix	trans	-64.9	-22.2	179.8	-51	-60.7	0	0	0	112.6	Q183 M188 I189 F215 A216 R219	Q183-Y185 HydrophobicContact CB-CE2 3.87Å; Q183-Y185 PolarHBondContact NE2-OH 3.16Å; Q183-Y185 VanDerWaalsContact NE2-OH 3.07Å; Q183-Y185 WeakPolarHBondContact O-CD2 3.32Å; Q183-Y185 WeakPolarHBondContact O-CE2 3.37Å; Q183-Y185 PolarHBondContact O-N 3.21Å; Y185-M188 HydrophobicContact CD1-SD 3.99Å; Y185-I189 WeakPolarHBondContact O-CB 3.34Å; Y185-I189 VanDerWaalsContact O-CD1 3.27Å; Y185-I189 WeakPolarHBondContact O-CD1 3.4Å; Y185-I189 WeakPolarHBondContact O-CG1 3.42Å; Y185-I189 PolarHBondContact O-N 3.01Å; Y185-F215 HydrophobicContact CE1-CD1 4.47Å; Y185-F215 AromaticContact CE1-CE1 3.95Å; Y185-F215 HydrophobicContact CE1-CE1 3.95Å; Y185-A216 HydrophobicContact CD1-CB 4.34Å; Y185-R219 HydrophobicContact CD1-CB 3.89Å; Y185-R219 HydrophobicContact CD1-CG 4.5Å; Y185-R219 HydrophobicContact CD2-CB 3.64Å; Y185-R219 HydrophobicContact CE1-CB 3.81Å; Y185-R219 HydrophobicContact CE1-CG 4.08Å; Y185-R219 HydrophobicContact CE2-CB 3.57Å; Y185-R219 HydrophobicContact CE2-CG 4.42Å; Y185-R219 HydrophobicContact CG-CB 3.81Å
186	D	91.9	Very high	89.5	Confident	45 Å²	45	33.5 Å²	33.5	24%	0.241	17%	0.171	C	C	.	.	H	α-helix	trans	-75.7	-41.9	179.3	-163.9	64.7	0	0	0	111.5	D184 I189 K190 R220	D184-D186 PolarHBondContact O-N 3.32Å; D186-I189 PolarHBondContact O-N 3.13Å; D186-K190 WeakPolarHBondContact O-CB 3.28Å; D186-K190 WeakPolarHBondContact O-CG 3.49Å; D186-K190 PolarHBondContact O-N 3.33Å; D186-K190 WeakPolarHBondContact OD2-CE 3.31Å; D186-K190 IonicContact OD2-NZ 3.34Å; D186-K190 PolarHBondContact OD2-NZ 3.23Å; D186-R220 WeakPolarHBondContact OD1-CD 3.41Å; D186-R220 IonicContact OD1-CZ 2.76Å; D186-R220 IonicContact OD1-NE 3.76Å; D186-R220 IonicContact OD1-NH1 3.19Å; D186-R220 PolarHBondContact OD1-NH1 2.89Å
187	A	90.7	Very high	89.2	Confident	12 Å²	12	40 Å²	40	10%	0.099	21%	0.205	C	C	.	.	H	α-helix	trans	-60.8	-42.4	168.7	0	0	0	0	0	112	Y179 D184 I189 K190 L191	Y179-A187 HydrophobicContact CD1-CB 3.56Å; Y179-A187 HydrophobicContact CD2-CB 4.32Å; Y179-A187 HydrophobicContact CE1-CB 3.56Å; Y179-A187 HydrophobicContact CE2-CB 4.33Å; Y179-A187 HydrophobicContact CG-CB 3.96Å; D184-A187 HydrophobicContact CB-CB 4.25Å; D184-A187 VanDerWaalsContact CG-CB 3.48Å; D184-A187 PolarHBondContact O-N 3.24Å; D184-A187 VanDerWaalsContact OD1-CB 3.31Å; D184-A187 WeakPolarHBondContact OD1-CB 3.16Å; D184-A187 PolarHBondContact OD1-N 2.84Å; A187-I189 VanDerWaalsContact C-N 3.33Å; A187-I189 PolarHBondContact O-N 3.07Å; A187-K190 PolarHBondContact O-N 3.17Å; A187-L191 WeakPolarHBondContact O-CB 3.38Å; A187-L191 PolarHBondContact O-N 3.5Å
188	M	93.1	Very high	88.7	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-57.1	-44.5	174.3	-67.6	179.9	72.3	0	0	112.6	L176 Y179 R180 D184 Y185 V192 H212 A216	L176-M188 HydrophobicContact CB-CE 4.2Å; L176-M188 HydrophobicContact CD2-CB 3.72Å; L176-M188 HydrophobicContact CD2-CE 3.98Å; L176-M188 HydrophobicContact CD2-CG 3.9Å; L176-M188 WeakPolarHBondContact O-CE 3.05Å; Y179-M188 HydrophobicContact CG-CG 4.49Å; R180-M188 HydrophobicContact CB-CE 4.18Å; R180-M188 HydrophobicContact CB-SD 3.84Å; D184-M188 WeakPolarHBondContact O-CG 3.32Å; D184-M188 PolarHBondContact O-N 3.28Å; Y185-M188 HydrophobicContact CD1-SD 3.99Å; M188-V192 PolarHBondContact O-N 3.27Å; M188-H212 HydrophobicContact CE-CB 4.04Å; M188-A216 HydrophobicContact CB-CB 3.83Å; M188-A216 HydrophobicContact CE-CB 4.08Å; M188-A216 HydrophobicContact SD-CB 4.02Å
189	I	92.9	Very high	87.3	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-67.9	-48.3	179.9	-73.2	161.8	0	0	0	110.5	Y185 D186 A187 L191 V192 E193 Y213 A216 L217 R220	Y185-I189 WeakPolarHBondContact O-CB 3.34Å; Y185-I189 VanDerWaalsContact O-CD1 3.27Å; Y185-I189 WeakPolarHBondContact O-CD1 3.4Å; Y185-I189 WeakPolarHBondContact O-CG1 3.42Å; Y185-I189 PolarHBondContact O-N 3.01Å; D186-I189 PolarHBondContact O-N 3.13Å; A187-I189 VanDerWaalsContact C-N 3.33Å; A187-I189 PolarHBondContact O-N 3.07Å; I189-L191 PolarHBondContact O-N 3.12Å; I189-V192 PolarHBondContact O-N 3.5Å; I189-E193 HydrophobicContact CG2-CG 4.35Å; I189-E193 WeakPolarHBondContact CG2-OE1 3.49Å; I189-E193 WeakPolarHBondContact O-CB 3.35Å; I189-E193 WeakPolarHBondContact O-CG 3.41Å; I189-E193 PolarHBondContact O-N 3.36Å; I189-Y213 HydrophobicContact CB-CE2 4.32Å; I189-Y213 HydrophobicContact CG1-CD2 4.37Å; I189-Y213 HydrophobicContact CG1-CE2 4.23Å; I189-Y213 HydrophobicContact CG2-CE2 4.1Å; I189-A216 HydrophobicContact CD1-CB 4.27Å; I189-A216 HydrophobicContact CG1-CB 3.89Å; I189-L217 HydrophobicContact CD1-CD2 3.93Å; I189-L217 HydrophobicContact CD1-CG 4.28Å; I189-L217 HydrophobicContact CG1-CD2 4.19Å; I189-L217 HydrophobicContact CG1-CG 4.3Å; I189-R220 HydrophobicContact CD1-CB 3.91Å; I189-R220 HydrophobicContact CD1-CG 4.44Å
190	K	90.5	Very high	86.1	Confident	122 Å²	122	53.3 Å²	53.3	53%	0.53	28%	0.281	S	S	.	.	H	α-helix	trans	-56.8	-46.6	177	-77.4	165.3	170.2	162.3	0	112.1	D186 A187 V192 E193 T194	D186-K190 WeakPolarHBondContact O-CB 3.28Å; D186-K190 WeakPolarHBondContact O-CG 3.49Å; D186-K190 PolarHBondContact O-N 3.33Å; D186-K190 WeakPolarHBondContact OD2-CE 3.31Å; D186-K190 IonicContact OD2-NZ 3.34Å; D186-K190 PolarHBondContact OD2-NZ 3.23Å; A187-K190 PolarHBondContact O-N 3.17Å; K190-V192 PolarHBondContact O-N 3.38Å; K190-E193 PolarHBondContact O-N 3.06Å; K190-T194 WeakPolarHBondContact O-CB 3.38Å; K190-T194 PolarHBondContact O-N 3.46Å; K190-T194 PolarHBondContact O-OG1 3.21Å
191	L	89.1	Confident	85.1	Confident	5 Å²	5	52.2 Å²	52.2	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-56.2	-52	177.4	175.3	59.8	0	0	0	111.5	V172 L175 L176 Y179 A187 I189 T194 L195	V172-L191 HydrophobicContact CG1-CD2 4.48Å; L175-L191 HydrophobicContact CB-CD2 3.82Å; L175-L191 HydrophobicContact CD1-CD2 4.17Å; L176-L191 HydrophobicContact CD2-CD2 4.14Å; L176-L191 HydrophobicContact CG-CD2 4.2Å; Y179-L191 HydrophobicContact CE2-CD2 4.49Å; A187-L191 WeakPolarHBondContact O-CB 3.38Å; A187-L191 PolarHBondContact O-N 3.5Å; I189-L191 PolarHBondContact O-N 3.12Å; L191-T194 PolarHBondContact O-N 3.45Å; L191-L195 HydrophobicContact CD1-CD1 3.93Å; L191-L195 HydrophobicContact CD1-CG 4.31Å; L191-L195 HydrophobicContact CG-CD1 4.04Å; L191-L195 VanDerWaalsContact O-CG 3.22Å; L191-L195 WeakPolarHBondContact O-CG 3.35Å; L191-L195 PolarHBondContact O-N 3.49Å
192	V	89.9	Confident	84.6	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.006	30%	0.295	C	S	.	.	H	α-helix	trans	-71.3	-32.3	-177.6	177.3	0	0	0	0	112.1	L176 M188 I189 K190 L195 N196 I209 Y213	L176-V192 HydrophobicContact CD1-CG2 3.93Å; L176-V192 HydrophobicContact CD2-CG2 3.96Å; M188-V192 PolarHBondContact O-N 3.27Å; I189-V192 PolarHBondContact O-N 3.5Å; K190-V192 PolarHBondContact O-N 3.38Å; V192-L195 PolarHBondContact O-N 3.41Å; V192-N196 WeakPolarHBondContact CG1-ND2 3.4Å; V192-N196 PolarHBondContact O-N 2.87Å; V192-N196 PolarHBondContact O-ND2 3.23Å; V192-I209 HydrophobicContact CG1-CG2 4.41Å; V192-I209 HydrophobicContact CG2-CG2 3.99Å; V192-Y213 HydrophobicContact CB-CD2 3.61Å; V192-Y213 HydrophobicContact CB-CE2 4.14Å; V192-Y213 HydrophobicContact CB-CG 4.07Å; V192-Y213 HydrophobicContact CG1-CD1 4.17Å; V192-Y213 HydrophobicContact CG1-CD2 3.68Å; V192-Y213 HydrophobicContact CG1-CE2 4.18Å; V192-Y213 HydrophobicContact CG1-CG 3.67Å; V192-Y213 HydrophobicContact CG2-CD2 4.26Å
193	E	89.9	Confident	84.1	Confident	56 Å²	56	54.8 Å²	54.8	26%	0.262	29%	0.287	S	S	.	.	H	α-helix	trans	-69.2	-42.2	174.8	-72.5	177.8	-179.5	0	0	111.8	I189 K190 L195 N196 N197 Y213 K228	I189-E193 HydrophobicContact CG2-CG 4.35Å; I189-E193 WeakPolarHBondContact CG2-OE1 3.49Å; I189-E193 WeakPolarHBondContact O-CB 3.35Å; I189-E193 WeakPolarHBondContact O-CG 3.41Å; I189-E193 PolarHBondContact O-N 3.36Å; K190-E193 PolarHBondContact O-N 3.06Å; E193-L195 PolarHBondContact O-N 2.69Å; E193-N196 PolarHBondContact O-N 3.47Å; E193-N197 VanDerWaalsContact O-CG 3.26Å; E193-N197 PolarHBondContact O-N 3.34Å; E193-N197 VanDerWaalsContact O-N 3.15Å; E193-N197 PolarHBondContact O-ND2 3.29Å; E193-Y213 HydrophobicContact CG-CE2 3.9Å; E193-Y213 WeakPolarHBondContact CG-OH 3.41Å; E193-Y213 PolarHBondContact OE1-OH 3.27Å; E193-K228 IonicContact OE1-NZ 2.9Å; E193-K228 PolarHBondContact OE1-NZ 3.03Å
194	T	85.8	Confident	83.6	Confident	77 Å²	77	51.8 Å²	51.8	47%	0.472	27%	0.274	S	S	.	.	H	α-helix	trans	-58.7	-45.3	170.5	-61.3	0	0	0	0	111.5	K190 L191 N196 N197 L198	K190-T194 WeakPolarHBondContact O-CB 3.38Å; K190-T194 PolarHBondContact O-N 3.46Å; K190-T194 PolarHBondContact O-OG1 3.21Å; L191-T194 PolarHBondContact O-N 3.45Å; T194-N196 VanDerWaalsContact C-N 3.34Å; T194-N196 PolarHBondContact O-N 3.17Å; T194-N197 PolarHBondContact O-N 2.99Å; T194-N197 VanDerWaalsContact O-N 3.14Å; T194-L198 PolarHBondContact O-N 2.87Å
195	L	85.5	Confident	83.1	Confident	3 Å²	3	57.4 Å²	57.4	2%	0.016	29%	0.292	C	S	.	.	H	α-helix	trans	-64.8	-32.9	178.6	-69	166.9	0	0	0	113.3	L167 V172 L191 V192 E193 N197 L198 A204	L167-L195 HydrophobicContact CB-CD2 4.32Å; L167-L195 HydrophobicContact CD1-CD2 3.96Å; L167-L195 HydrophobicContact CD2-CD2 4.32Å; L167-L195 HydrophobicContact CG-CD2 4.45Å; V172-L195 HydrophobicContact CB-CD1 4.3Å; V172-L195 HydrophobicContact CG1-CD1 3.53Å; V172-L195 HydrophobicContact CG2-CD1 3.71Å; V172-L195 HydrophobicContact CG2-CD2 4.49Å; L191-L195 HydrophobicContact CD1-CD1 3.93Å; L191-L195 HydrophobicContact CD1-CG 4.31Å; L191-L195 HydrophobicContact CG-CD1 4.04Å; L191-L195 VanDerWaalsContact O-CG 3.22Å; L191-L195 WeakPolarHBondContact O-CG 3.35Å; L191-L195 PolarHBondContact O-N 3.49Å; V192-L195 PolarHBondContact O-N 3.41Å; E193-L195 PolarHBondContact O-N 2.69Å; L195-N197 VanDerWaalsContact C-N 3.34Å; L195-L198 HydrophobicContact CD2-CD1 4.45Å; L195-A204 HydrophobicContact CB-CB 4.05Å
196	N	84.9	Confident	82.8	Confident	90 Å²	90	60.9 Å²	60.9	48%	0.481	31%	0.309	S	S	.	.	H	α-helix	trans	-72.1	-26.3	174.2	-81.1	-71.6	0	0	0	113.1	V192 E193 T194 L198	V192-N196 WeakPolarHBondContact CG1-ND2 3.4Å; V192-N196 PolarHBondContact O-N 2.87Å; V192-N196 PolarHBondContact O-ND2 3.23Å; E193-N196 PolarHBondContact O-N 3.47Å; T194-N196 VanDerWaalsContact C-N 3.34Å; T194-N196 PolarHBondContact O-N 3.17Å; N196-L198 VanDerWaalsContact C-N 3.34Å
197	N	83.4	Confident	82.5	Confident	136 Å²	136	65.9 Å²	65.9	73%	0.727	33%	0.331	S	S	*	.	H	α-helix	trans	-79.3	-15.2	177.6	-66.5	-22.2	0	0	0	113.1	E193 T194 L195 P199	E193-N197 VanDerWaalsContact O-CG 3.26Å; E193-N197 PolarHBondContact O-N 3.34Å; E193-N197 VanDerWaalsContact O-N 3.15Å; E193-N197 PolarHBondContact O-ND2 3.29Å; T194-N197 PolarHBondContact O-N 2.99Å; T194-N197 VanDerWaalsContact O-N 3.14Å; L195-N197 VanDerWaalsContact C-N 3.34Å; N197-P199 WeakPolarHBondContact O-CD 3.35Å
198	L	79.9	Confident	82.3	Confident	59 Å²	59	70.5 Å²	70.5	31%	0.309	35%	0.353	S	S	.	.	S	Bend	trans	-81.8	113.6	178	-70.5	173.8	0	0	0	110.8	L167 T194 L195 N196 M200 C201	L167-L198 HydrophobicContact CD1-CD1 4.02Å; T194-L198 PolarHBondContact O-N 2.87Å; L195-L198 HydrophobicContact CD2-CD1 4.45Å; N196-L198 VanDerWaalsContact C-N 3.34Å; L198-M200 PolarHBondContact O-N 2.93Å; L198-C201 HydrophobicContact CB-CB 3.73Å; L198-C201 HydrophobicContact CD1-CB 4.44Å; L198-C201 PolarHBondContact O-N 2.68Å
199	P	62	Low	82.2	Confident	126 Å²	126	70.6 Å²	70.6	82%	0.818	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-17.4	-167.8	25	-35.1	0	0	0	115	N197	N197-P199 WeakPolarHBondContact O-CD 3.35Å
200	M	64.1	Low	82.1	Confident	132 Å²	132	74.5 Å²	74.5	65%	0.65	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-10.1	177.9	-66.9	-64	-65.5	0	0	113.7	L198 Q202	L198-M200 PolarHBondContact O-N 2.93Å; M200-Q202 PolarHBondContact O-N 3.18Å
201	C	71	Confident	82.1	Confident	13 Å²	13	71.4 Å²	71.4	9%	0.088	36%	0.358	C	S	.	.			trans	-80.7	115.9	-173	-173.6	0	0	0	0	111.8	L198	L198-C201 HydrophobicContact CB-CB 3.73Å; L198-C201 HydrophobicContact CD1-CB 4.44Å; L198-C201 PolarHBondContact O-N 2.68Å
202	Q	74.1	Confident	82.4	Confident	134 Å²	134	71.9 Å²	71.9	63%	0.626	36%	0.36	S	S	*	.			trans	-91.7	-13.6	176.2	-58.2	-163.7	30.4	0	0	113.5	M200 A204 R205	M200-Q202 PolarHBondContact O-N 3.18Å; Q202-A204 VanDerWaalsContact C-N 3.33Å; Q202-A204 PolarHBondContact O-N 3.16Å; Q202-R205 VanDerWaalsContact O-CB 3.28Å; Q202-R205 WeakPolarHBondContact O-CB 3.15Å; Q202-R205 PolarHBondContact O-N 3.09Å
203	A	76.4	Confident	82.6	Confident	6 Å²	6	72.5 Å²	72.5	5%	0.05	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-56.5	-43	-174	0	0	0	0	0	113	P169 V172 R205 H206 I209	P169-A203 HydrophobicContact CG-CB 4.27Å; V172-A203 HydrophobicContact CG2-CB 4.21Å; A203-R205 PolarHBondContact O-N 3.2Å; A203-H206 PolarHBondContact O-CD2 2.72Å; A203-H206 PolarHBondContact O-N 3.2Å; A203-I209 HydrophobicContact CB-CD1 4.38Å; A203-I209 VanDerWaalsContact O-CD1 3.28Å; A203-I209 WeakPolarHBondContact O-CD1 3.4Å
204	A	77.4	Confident	82.8	Confident	2 Å²	2	70 Å²	70	2%	0.017	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-63.4	-12.2	177.7	0	0	0	0	0	114.6	L195 Q202	L195-A204 HydrophobicContact CB-CB 4.05Å; Q202-A204 VanDerWaalsContact C-N 3.33Å; Q202-A204 PolarHBondContact O-N 3.16Å
205	R	80.4	Confident	83.2	Confident	163 Å²	163	67 Å²	67	62%	0.615	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-80.3	-21.1	177.5	-58.7	-176.2	178.7	-176	-0.3	113.1	Q202 A203 K210	Q202-R205 VanDerWaalsContact O-CB 3.28Å; Q202-R205 WeakPolarHBondContact O-CB 3.15Å; Q202-R205 PolarHBondContact O-N 3.09Å; A203-R205 PolarHBondContact O-N 3.2Å; R205-K210 VanDerWaalsContact O-CE 3.25Å; R205-K210 WeakPolarHBondContact O-CE 3.34Å; R205-K210 PolarHBondContact O-NZ 3.07Å
206	H	85.2	Confident	83.7	Confident	97 Å²	97	66.9 Å²	66.9	45%	0.449	33%	0.33	S	S	.	.	S	Bend	trans	-63.7	139.7	-177.8	-76.4	-102.7	0	0	0	112.5	P169 A203 N208 I209 K210	P169-H206 WeakPolarHBondContact CG-NE2 3.42Å; A203-H206 PolarHBondContact O-CD2 2.72Å; A203-H206 PolarHBondContact O-N 3.2Å; H206-N208 PolarHBondContact O-N 3.45Å; H206-I209 HydrophobicContact CB-CD1 4.39Å; H206-I209 PolarHBondContact O-N 3.39Å; H206-K210 PolarHBondContact O-N 2.76Å
207	Q	85.7	Confident	84.2	Confident	150 Å²	150	62.6 Å²	62.6	70%	0.701	31%	0.307	S	S	*	.	H	α-helix	trans	-59	-41.8	-177.5	-70.8	174.8	-19.9	0	0	112.7	I209 K210 F211	Q207-I209 PolarHBondContact O-N 3.21Å; Q207-K210 WeakPolarHBondContact O-CB 3.37Å; Q207-K210 PolarHBondContact O-N 2.83Å; Q207-F211 WeakPolarHBondContact O-CB 3.31Å; Q207-F211 PolarHBondContact O-N 3.11Å
208	N	87.2	Confident	84.7	Confident	108 Å²	108	56.1 Å²	56.1	58%	0.578	27%	0.273	S	S	*	.	H	α-helix	trans	-65.6	-40.6	-179.8	-61.3	4.3	0	0	0	112.3	M173 H206 F211 H212	M173-N208 HydrophobicContact CE-CB 4.38Å; M173-N208 HydrophobicContact SD-CB 4.18Å; H206-N208 PolarHBondContact O-N 3.45Å; N208-F211 WeakPolarHBondContact O-CB 3.49Å; N208-F211 PolarHBondContact O-N 3.11Å; N208-H212 PolarHBondContact O-CD2 3.31Å; N208-H212 PolarHBondContact O-N 3.05Å
209	I	90.3	Very high	85.3	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.015	27%	0.267	C	S	.	.	H	α-helix	trans	-66.5	-41	176.2	-72.9	166.6	0	0	0	110.3	P169 V172 L176 V192 A203 H206 Q207 H212 Y213	P169-I209 HydrophobicContact CB-CD1 4.1Å; V172-I209 HydrophobicContact CB-CD1 3.95Å; V172-I209 HydrophobicContact CG1-CD1 3.74Å; V172-I209 HydrophobicContact CG1-CG1 4.16Å; V172-I209 HydrophobicContact CG1-CG2 4.37Å; L176-I209 HydrophobicContact CD1-CB 4.42Å; L176-I209 HydrophobicContact CD1-CG1 4.2Å; L176-I209 HydrophobicContact CD1-CG2 4.01Å; V192-I209 HydrophobicContact CG1-CG2 4.41Å; V192-I209 HydrophobicContact CG2-CG2 3.99Å; A203-I209 HydrophobicContact CB-CD1 4.38Å; A203-I209 VanDerWaalsContact O-CD1 3.28Å; A203-I209 WeakPolarHBondContact O-CD1 3.4Å; H206-I209 HydrophobicContact CB-CD1 4.39Å; H206-I209 PolarHBondContact O-N 3.39Å; Q207-I209 PolarHBondContact O-N 3.21Å; I209-H212 PolarHBondContact O-N 3.45Å; I209-Y213 WeakPolarHBondContact O-CB 3.47Å; I209-Y213 PolarHBondContact O-N 3.02Å
210	K	90.6	Very high	86.7	Confident	82 Å²	82	52.5 Å²	52.5	36%	0.357	24%	0.239	S	C	.	.	H	α-helix	trans	-60.5	-42.8	171.7	-73.2	169.2	173.4	162.8	0	112.6	R205 H206 Q207 Y213 I214	R205-K210 VanDerWaalsContact O-CE 3.25Å; R205-K210 WeakPolarHBondContact O-CE 3.34Å; R205-K210 PolarHBondContact O-NZ 3.07Å; H206-K210 PolarHBondContact O-N 2.76Å; Q207-K210 WeakPolarHBondContact O-CB 3.37Å; Q207-K210 PolarHBondContact O-N 2.83Å; K210-Y213 PolarHBondContact O-N 3.04Å; K210-I214 WeakPolarHBondContact O-CB 3.29Å; K210-I214 WeakPolarHBondContact O-CD1 3.46Å; K210-I214 WeakPolarHBondContact O-CG1 3.46Å; K210-I214 PolarHBondContact O-N 3.42Å
211	F	92.1	Very high	87.9	Confident	57 Å²	57	49.9 Å²	49.9	25%	0.25	23%	0.227	C	C	.	.	H	α-helix	trans	-58.3	-49.1	176.4	179	-86.6	0	0	0	111.4	Q207 N208 Y213 I214 F215 D246 V247 L250	Q207-F211 WeakPolarHBondContact O-CB 3.31Å; Q207-F211 PolarHBondContact O-N 3.11Å; N208-F211 WeakPolarHBondContact O-CB 3.49Å; N208-F211 PolarHBondContact O-N 3.11Å; F211-Y213 VanDerWaalsContact C-N 3.33Å; F211-Y213 PolarHBondContact O-N 3.16Å; F211-I214 PolarHBondContact O-N 3.17Å; F211-F215 WeakPolarHBondContact O-CB 2.96Å; F211-F215 PolarHBondContact O-N 3.21Å; F211-D246 HydrophobicContact CE2-CB 4.14Å; F211-D246 WeakPolarHBondContact CE2-O 3.46Å; F211-D246 HydrophobicContact CZ-CB 4.26Å; F211-V247 HydrophobicContact CD2-CG2 4.29Å; F211-L250 HydrophobicContact CD1-CD2 4.44Å; F211-L250 HydrophobicContact CD2-CB 4.4Å; F211-L250 HydrophobicContact CD2-CD2 3.47Å; F211-L250 VanDerWaalsContact CD2-CD2 3.47Å; F211-L250 HydrophobicContact CE1-CD2 4.49Å; F211-L250 HydrophobicContact CE2-CB 3.75Å; F211-L250 HydrophobicContact CE2-CD2 3.54Å; F211-L250 HydrophobicContact CE2-CG 4.25Å; F211-L250 HydrophobicContact CG-CD2 3.95Å; F211-L250 HydrophobicContact CZ-CB 4.3Å; F211-L250 HydrophobicContact CZ-CD2 4.07Å
212	H	93.6	Very high	88.8	Confident	14 Å²	14	54 Å²	54	7%	0.065	25%	0.245	C	C	.	.	H	α-helix	trans	-65.2	-33.3	176.9	-83.6	-85.7	0	0	0	113.4	M173 L176 M188 N208 I209 A216	M173-H212 VanDerWaalsContact CE-CD2 3.49Å; M173-H212 WeakPolarHBondContact CE-CD2 3.43Å; M173-H212 VanDerWaalsContact CE-NE2 3.29Å; M173-H212 WeakPolarHBondContact CE-NE2 3.48Å; L176-H212 HydrophobicContact CB-CB 4.49Å; L176-H212 HydrophobicContact CD1-CB 4.24Å; M188-H212 HydrophobicContact CE-CB 4.04Å; N208-H212 PolarHBondContact O-CD2 3.31Å; N208-H212 PolarHBondContact O-N 3.05Å; I209-H212 PolarHBondContact O-N 3.45Å; H212-A216 WeakPolarHBondContact O-CB 3.24Å; H212-A216 PolarHBondContact O-N 3.41Å
213	Y	94.5	Very high	89.6	Confident	15 Å²	15	54.2 Å²	54.2	6%	0.059	26%	0.258	C	S	.	.	H	α-helix	trans	-69.2	-45.9	174.5	177	-116.5	0	0	0	112.9	I189 V192 E193 I209 K210 F211 F215 A216 L217 K228 L232	I189-Y213 HydrophobicContact CB-CE2 4.32Å; I189-Y213 HydrophobicContact CG1-CD2 4.37Å; I189-Y213 HydrophobicContact CG1-CE2 4.23Å; I189-Y213 HydrophobicContact CG2-CE2 4.1Å; V192-Y213 HydrophobicContact CB-CD2 3.61Å; V192-Y213 HydrophobicContact CB-CE2 4.14Å; V192-Y213 HydrophobicContact CB-CG 4.07Å; V192-Y213 HydrophobicContact CG1-CD1 4.17Å; V192-Y213 HydrophobicContact CG1-CD2 3.68Å; V192-Y213 HydrophobicContact CG1-CE2 4.18Å; V192-Y213 HydrophobicContact CG1-CG 3.67Å; V192-Y213 HydrophobicContact CG2-CD2 4.26Å; E193-Y213 HydrophobicContact CG-CE2 3.9Å; E193-Y213 WeakPolarHBondContact CG-OH 3.41Å; E193-Y213 PolarHBondContact OE1-OH 3.27Å; I209-Y213 WeakPolarHBondContact O-CB 3.47Å; I209-Y213 PolarHBondContact O-N 3.02Å; K210-Y213 PolarHBondContact O-N 3.04Å; F211-Y213 VanDerWaalsContact C-N 3.33Å; F211-Y213 PolarHBondContact O-N 3.16Å; Y213-F215 VanDerWaalsContact C-N 3.31Å; Y213-F215 PolarHBondContact O-N 3.07Å; Y213-A216 PolarHBondContact O-N 3.35Å; Y213-L217 HydrophobicContact CD1-CD1 4.14Å; Y213-L217 HydrophobicContact CE1-CD1 3.74Å; Y213-L217 HydrophobicContact CE2-CD1 4.33Å; Y213-L217 HydrophobicContact CE2-CG 4.37Å; Y213-L217 WeakPolarHBondContact O-CG 3.3Å; Y213-L217 PolarHBondContact O-N 3.15Å; Y213-K228 WeakPolarHBondContact OH-CE 3.47Å; Y213-K228 PolarHBondContact OH-NZ 3.42Å; Y213-K228 VanDerWaalsContact OH-NZ 3.1Å; Y213-L232 HydrophobicContact CD1-CD1 4.02Å; Y213-L232 HydrophobicContact CE1-CD1 3.6Å
214	I	94.8	Very high	90.2	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-61.3	-40.9	174.5	-68.6	160.6	0	0	0	110.5	K210 F211 N218 A229 L232 I233 L250 I254	K210-I214 WeakPolarHBondContact O-CB 3.29Å; K210-I214 WeakPolarHBondContact O-CD1 3.46Å; K210-I214 WeakPolarHBondContact O-CG1 3.46Å; K210-I214 PolarHBondContact O-N 3.42Å; F211-I214 PolarHBondContact O-N 3.17Å; I214-N218 PolarHBondContact O-N 3.06Å; I214-N218 VanDerWaalsContact O-N 3.13Å; I214-A229 HydrophobicContact CG2-CB 4.05Å; I214-L232 HydrophobicContact CD1-CB 3.94Å; I214-L232 HydrophobicContact CG1-CB 3.92Å; I214-L232 HydrophobicContact CG1-CD1 4.41Å; I214-I233 HydrophobicContact CD1-CB 4.11Å; I214-I233 HydrophobicContact CD1-CG1 4.44Å; I214-I233 HydrophobicContact CG2-CB 4.25Å; I214-I233 HydrophobicContact CG2-CD1 4.21Å; I214-L250 HydrophobicContact CB-CD2 4.12Å; I214-L250 HydrophobicContact CG2-CD2 3.77Å; I214-L250 HydrophobicContact CG2-CG 4.15Å; I214-I254 HydrophobicContact CG2-CD1 3.86Å
215	F	94.7	Very high	91	Very high	13 Å²	13	56.7 Å²	56.7	6%	0.057	28%	0.282	C	S	.	.	H	α-helix	trans	-60.2	-50.2	172.5	-178.4	-87.7	0	0	0	111.6	R180 Y185 F211 Y213 L217 N218 R219 L250 W367	R180-F215 HydrophobicContact CG-CE1 4.19Å; Y185-F215 HydrophobicContact CE1-CD1 4.47Å; Y185-F215 AromaticContact CE1-CE1 3.95Å; Y185-F215 HydrophobicContact CE1-CE1 3.95Å; F211-F215 WeakPolarHBondContact O-CB 2.96Å; F211-F215 PolarHBondContact O-N 3.21Å; Y213-F215 VanDerWaalsContact C-N 3.31Å; Y213-F215 PolarHBondContact O-N 3.07Å; F215-L217 PolarHBondContact O-N 2.99Å; F215-N218 PolarHBondContact O-N 3.26Å; F215-R219 HydrophobicContact CD1-CG 4.08Å; F215-R219 HydrophobicContact CE1-CG 3.75Å; F215-R219 HydrophobicContact CZ-CG 3.98Å; F215-R219 WeakPolarHBondContact O-CG 3.32Å; F215-R219 PolarHBondContact O-N 3.16Å; F215-L250 HydrophobicContact CB-CD1 4.2Å; F215-L250 HydrophobicContact CD2-CD1 4.04Å; F215-W367 HydrophobicContact CZ-CE3 4.18Å
216	A	94.9	Very high	91.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.8	-44.8	179.5	0	0	0	0	0	112.3	Y185 M188 I189 H212 Y213 N218 R219 R220	Y185-A216 HydrophobicContact CD1-CB 4.34Å; M188-A216 HydrophobicContact CB-CB 3.83Å; M188-A216 HydrophobicContact CE-CB 4.08Å; M188-A216 HydrophobicContact SD-CB 4.02Å; I189-A216 HydrophobicContact CD1-CB 4.27Å; I189-A216 HydrophobicContact CG1-CB 3.89Å; H212-A216 WeakPolarHBondContact O-CB 3.24Å; H212-A216 PolarHBondContact O-N 3.41Å; Y213-A216 PolarHBondContact O-N 3.35Å; A216-N218 PolarHBondContact O-N 2.77Å; A216-R219 PolarHBondContact O-N 2.93Å; A216-R219 VanDerWaalsContact O-N 3.16Å; A216-R220 PolarHBondContact O-N 3.39Å
217	L	95	Very high	92.1	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-54.3	-50.5	173.5	-75	168.6	0	0	0	111.5	I189 Y213 F215 R219 R220 N221 D225 K228 A229 L232	I189-L217 HydrophobicContact CD1-CD2 3.93Å; I189-L217 HydrophobicContact CD1-CG 4.28Å; I189-L217 HydrophobicContact CG1-CD2 4.19Å; I189-L217 HydrophobicContact CG1-CG 4.3Å; Y213-L217 HydrophobicContact CD1-CD1 4.14Å; Y213-L217 HydrophobicContact CE1-CD1 3.74Å; Y213-L217 HydrophobicContact CE2-CD1 4.33Å; Y213-L217 HydrophobicContact CE2-CG 4.37Å; Y213-L217 WeakPolarHBondContact O-CG 3.3Å; Y213-L217 PolarHBondContact O-N 3.15Å; F215-L217 PolarHBondContact O-N 2.99Å; L217-R219 VanDerWaalsContact C-N 3.27Å; L217-R219 PolarHBondContact O-N 3.24Å; L217-R220 PolarHBondContact O-N 3.17Å; L217-N221 PolarHBondContact O-N 2.89Å; L217-N221 VanDerWaalsContact O-N 3.13Å; L217-D225 HydrophobicContact CB-CB 4.34Å; L217-D225 HydrophobicContact CD2-CB 4.16Å; L217-D225 WeakPolarHBondContact O-CB 3.48Å; L217-K228 HydrophobicContact CD1-CB 4.3Å; L217-K228 HydrophobicContact CD1-CD 4.15Å; L217-K228 HydrophobicContact CD1-CG 4.05Å; L217-K228 HydrophobicContact CD2-CD 4.07Å; L217-A229 HydrophobicContact CB-CB 4.08Å; L217-A229 HydrophobicContact CD1-CB 4.43Å; L217-L232 HydrophobicContact CD1-CD1 4.19Å
218	N	94.9	Very high	92.5	Very high	1 Å²	1	46 Å²	46	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-61.5	-34.1	179.2	178.8	51	0	0	0	113.6	I214 F215 A216 R226 I254 D257	I214-N218 PolarHBondContact O-N 3.06Å; I214-N218 VanDerWaalsContact O-N 3.13Å; F215-N218 PolarHBondContact O-N 3.26Å; A216-N218 PolarHBondContact O-N 2.77Å; N218-R226 WeakPolarHBondContact OD1-CD 3.35Å; N218-R226 PolarHBondContact OD1-NE 3.47Å; N218-I254 HydrophobicContact CB-CG1 4Å; N218-D257 PolarHBondContact ND2-OD2 2.99Å
219	R	91.8	Very high	92.9	Very high	52 Å²	52	40.9 Å²	40.9	20%	0.196	22%	0.22	C	C	.	.	H	α-helix	trans	-82.8	-31.2	-179.6	-62	-46.8	-60.7	-175.4	-9.5	114	Y185 F215 A216 L217 R253 D257 E374	Y185-R219 HydrophobicContact CD1-CB 3.89Å; Y185-R219 HydrophobicContact CD1-CG 4.5Å; Y185-R219 HydrophobicContact CD2-CB 3.64Å; Y185-R219 HydrophobicContact CE1-CB 3.81Å; Y185-R219 HydrophobicContact CE1-CG 4.08Å; Y185-R219 HydrophobicContact CE2-CB 3.57Å; Y185-R219 HydrophobicContact CE2-CG 4.42Å; Y185-R219 HydrophobicContact CG-CB 3.81Å; F215-R219 HydrophobicContact CD1-CG 4.08Å; F215-R219 HydrophobicContact CE1-CG 3.75Å; F215-R219 HydrophobicContact CZ-CG 3.98Å; F215-R219 WeakPolarHBondContact O-CG 3.32Å; F215-R219 PolarHBondContact O-N 3.16Å; A216-R219 PolarHBondContact O-N 2.93Å; A216-R219 VanDerWaalsContact O-N 3.16Å; L217-R219 VanDerWaalsContact C-N 3.27Å; L217-R219 PolarHBondContact O-N 3.24Å; R219-R253 VanDerWaalsContact NH1-NH2 3.14Å; R219-D257 IonicContact NH1-OD2 3.66Å; R219-D257 PolarHBondContact NH1-OD2 2.91Å; R219-E374 IonicContact CZ-OE1 2.77Å; R219-E374 IonicContact NH1-OE1 3.92Å; R219-E374 PolarHBondContact NH1-OE1 3.13Å; R219-E374 IonicContact NH1-OE2 3.6Å; R219-E374 PolarHBondContact NH1-OE2 3.35Å; R219-E374 IonicContact NH2-OE1 3.68Å; R219-E374 PolarHBondContact NH2-OE1 3.4Å
220	R	92.2	Very high	93.1	Very high	57 Å²	57	41.7 Å²	41.7	22%	0.215	23%	0.225	C	C	.	.	H	α-helix	trans	-69.7	-39.7	173.1	-171.4	179.1	69.6	178.3	-2.8	111.7	D186 I189 A216 L217 H222 D225	D186-R220 WeakPolarHBondContact OD1-CD 3.41Å; D186-R220 IonicContact OD1-CZ 2.76Å; D186-R220 IonicContact OD1-NE 3.76Å; D186-R220 IonicContact OD1-NH1 3.19Å; D186-R220 PolarHBondContact OD1-NH1 2.89Å; I189-R220 HydrophobicContact CD1-CB 3.91Å; I189-R220 HydrophobicContact CD1-CG 4.44Å; A216-R220 PolarHBondContact O-N 3.39Å; L217-R220 PolarHBondContact O-N 3.17Å; R220-H222 VanDerWaalsContact C-N 3.25Å; R220-H222 PolarHBondContact NE-ND1 3.01Å; R220-H222 PolarHBondContact O-N 3.38Å; R220-D225 IonicContact CZ-OD1 3.75Å; R220-D225 IonicContact CZ-OD2 3.41Å; R220-D225 IonicContact NE-OD1 2.71Å; R220-D225 IonicContact NE-OD2 3.18Å; R220-D225 PolarHBondContact NE-OD2 2.91Å; R220-D225 IonicContact NH2-OD1 2.79Å; R220-D225 PolarHBondContact NH2-OD1 2.59Å; R220-D225 IonicContact NH2-OD2 3.39Å; R220-D225 PolarHBondContact NH2-OD2 3.41Å
221	N	88.6	Confident	93.3	Very high	77 Å²	77	46 Å²	46	41%	0.412	24%	0.243	S	C	.	.			trans	54.1	35.4	172.9	-171.1	49.4	0	0	0	114.4	L217 R226	L217-N221 PolarHBondContact O-N 2.89Å; L217-N221 VanDerWaalsContact O-N 3.13Å; N221-R226 VanDerWaalsContact CG-CZ 3.5Å; N221-R226 PolarHBondContact OD1-NE 2.97Å; N221-R226 PolarHBondContact OD1-NH1 3.25Å
222	H	91.3	Very high	93.3	Very high	98 Å²	98	46.7 Å²	46.7	45%	0.454	25%	0.25	S	C	.	.			trans	-71.2	159.2	166.5	-67.9	176.5	0	0	0	110.4	R220 G224 D225	R220-H222 VanDerWaalsContact C-N 3.25Å; R220-H222 PolarHBondContact NE-ND1 3.01Å; R220-H222 PolarHBondContact O-N 3.38Å; H222-G224 PolarHBondContact O-N 2.82Å; H222-D225 WeakPolarHBondContact CB-OD2 3.38Å; H222-D225 IonicContact CG-OD2 3.59Å; H222-D225 PolarHBondContact N-OD2 3.02Å; H222-D225 WeakPolarHBondContact O-CB 3.4Å; H222-D225 PolarHBondContact O-N 3.46Å
223	P	89.8	Confident	93.4	Very high	140 Å²	140	46.1 Å²	46.1	91%	0.909	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	116.6	179.5	-28.6	36.6	0	0	0	112.6
224	G	90.1	Very high	93.3	Very high	49 Å²	49	47 Å²	47	51%	0.505	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.3	-15.1	-177.9	0	0	0	0	0	115.9	H222 R226 A227 K228	H222-G224 PolarHBondContact O-N 2.82Å; G224-R226 PolarHBondContact O-N 3.39Å; G224-A227 PolarHBondContact O-N 3.25Å; G224-A227 VanDerWaalsContact O-N 3.15Å; G224-K228 PolarHBondContact O-N 3.26Å
225	D	93.9	Very high	93.2	Very high	10 Å²	10	50.8 Å²	50.8	5%	0.053	28%	0.277	C	S	.	.	H	α-helix	trans	-58.5	-46.8	-176.7	-80.9	-13.2	0	0	0	112.5	L217 R220 H222 A227 K228 A229	L217-D225 HydrophobicContact CB-CB 4.34Å; L217-D225 HydrophobicContact CD2-CB 4.16Å; L217-D225 WeakPolarHBondContact O-CB 3.48Å; R220-D225 IonicContact CZ-OD1 3.75Å; R220-D225 IonicContact CZ-OD2 3.41Å; R220-D225 IonicContact NE-OD1 2.71Å; R220-D225 IonicContact NE-OD2 3.18Å; R220-D225 PolarHBondContact NE-OD2 2.91Å; R220-D225 IonicContact NH2-OD1 2.79Å; R220-D225 PolarHBondContact NH2-OD1 2.59Å; R220-D225 IonicContact NH2-OD2 3.39Å; R220-D225 PolarHBondContact NH2-OD2 3.41Å; H222-D225 WeakPolarHBondContact CB-OD2 3.38Å; H222-D225 IonicContact CG-OD2 3.59Å; H222-D225 PolarHBondContact N-OD2 3.02Å; H222-D225 WeakPolarHBondContact O-CB 3.4Å; H222-D225 PolarHBondContact O-N 3.46Å; D225-A227 VanDerWaalsContact C-N 3.34Å; D225-A227 PolarHBondContact O-N 2.78Å; D225-K228 WeakPolarHBondContact O-CB 3.37Å; D225-K228 PolarHBondContact O-N 2.95Å; D225-A229 WeakPolarHBondContact O-CB 3.46Å; D225-A229 PolarHBondContact O-N 2.92Å
226	R	94	Very high	93	Very high	32 Å²	32	52.4 Å²	52.4	12%	0.121	29%	0.286	C	S	.	.	H	α-helix	trans	-67.4	-32.7	178.7	-67.7	-167.3	179.9	135.8	-2.4	113.1	N218 N221 G224 A229 L230 I254 D257 M258 S261	N218-R226 WeakPolarHBondContact OD1-CD 3.35Å; N218-R226 PolarHBondContact OD1-NE 3.47Å; N221-R226 VanDerWaalsContact CG-CZ 3.5Å; N221-R226 PolarHBondContact OD1-NE 2.97Å; N221-R226 PolarHBondContact OD1-NH1 3.25Å; G224-R226 PolarHBondContact O-N 3.39Å; R226-A229 WeakPolarHBondContact O-CB 3.43Å; R226-A229 PolarHBondContact O-N 3.12Å; R226-L230 WeakPolarHBondContact O-CG 3.25Å; R226-L230 PolarHBondContact O-N 3.32Å; R226-I254 HydrophobicContact CB-CG2 4.16Å; R226-I254 HydrophobicContact CG-CG2 4.37Å; R226-D257 PolarHBondContact NH1-O 3.08Å; R226-M258 HydrophobicContact CB-SD 4.36Å; R226-M258 VanDerWaalsContact CD-CG 3.48Å; R226-S261 PolarHBondContact NH1-OG 2.93Å; R226-S261 PolarHBondContact NH2-OG 3.25Å
227	A	93.7	Very high	92.7	Very high	68 Å²	68	52.8 Å²	52.8	56%	0.562	29%	0.289	S	S	*	.	H	α-helix	trans	-68.4	-38.1	173.3	0	0	0	0	0	111.5	G224 D225 K231	G224-A227 PolarHBondContact O-N 3.25Å; G224-A227 VanDerWaalsContact O-N 3.15Å; D225-A227 VanDerWaalsContact C-N 3.34Å; D225-A227 PolarHBondContact O-N 2.78Å; A227-K231 WeakPolarHBondContact O-CB 3.44Å; A227-K231 PolarHBondContact O-N 3.34Å
228	K	94.2	Very high	92.4	Very high	86 Å²	86	58.8 Å²	58.8	37%	0.374	32%	0.317	S	S	.	.	H	α-helix	trans	-63.9	-42.4	171.7	-168	177.5	-173.5	177.7	0	111.2	E193 Y213 L217 G224 D225 K231 L232	E193-K228 IonicContact OE1-NZ 2.9Å; E193-K228 PolarHBondContact OE1-NZ 3.03Å; Y213-K228 WeakPolarHBondContact OH-CE 3.47Å; Y213-K228 PolarHBondContact OH-NZ 3.42Å; Y213-K228 VanDerWaalsContact OH-NZ 3.1Å; L217-K228 HydrophobicContact CD1-CB 4.3Å; L217-K228 HydrophobicContact CD1-CD 4.15Å; L217-K228 HydrophobicContact CD1-CG 4.05Å; L217-K228 HydrophobicContact CD2-CD 4.07Å; G224-K228 PolarHBondContact O-N 3.26Å; D225-K228 WeakPolarHBondContact O-CB 3.37Å; D225-K228 PolarHBondContact O-N 2.95Å; K228-K231 PolarHBondContact O-N 3.42Å; K228-L232 HydrophobicContact CG-CD1 4.32Å; K228-L232 WeakPolarHBondContact O-CD1 3.46Å; K228-L232 VanDerWaalsContact O-CG 3.28Å; K228-L232 WeakPolarHBondContact O-CG 3.34Å; K228-L232 PolarHBondContact O-N 2.96Å
229	A	95.6	Very high	91.8	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-61.2	-49	175.3	0	0	0	0	0	112.2	I214 L217 D225 R226 L232 I233 I254	I214-A229 HydrophobicContact CG2-CB 4.05Å; L217-A229 HydrophobicContact CB-CB 4.08Å; L217-A229 HydrophobicContact CD1-CB 4.43Å; D225-A229 WeakPolarHBondContact O-CB 3.46Å; D225-A229 PolarHBondContact O-N 2.92Å; R226-A229 WeakPolarHBondContact O-CB 3.43Å; R226-A229 PolarHBondContact O-N 3.12Å; A229-L232 PolarHBondContact O-N 3.13Å; A229-L232 VanDerWaalsContact O-N 3.16Å; A229-I233 PolarHBondContact O-N 2.75Å; A229-I254 HydrophobicContact CB-CD1 3.98Å
230	L	95.1	Very high	90.5	Very high	21 Å²	21	62.7 Å²	62.7	11%	0.11	36%	0.363	C	S	.	.	H	α-helix	trans	-60.4	-45.8	176.2	-72.7	177.2	0	0	0	112	R226 L232 I233 L234 I254 Y255 M258	R226-L230 WeakPolarHBondContact O-CG 3.25Å; R226-L230 PolarHBondContact O-N 3.32Å; L230-L232 PolarHBondContact O-N 3.39Å; L230-L232 VanDerWaalsContact O-N 3.12Å; L230-I233 HydrophobicContact CD2-CG2 4.46Å; L230-I233 PolarHBondContact O-N 3.36Å; L230-L234 HydrophobicContact CB-CD1 4.17Å; L230-L234 WeakPolarHBondContact O-CB 3.35Å; L230-L234 WeakPolarHBondContact O-CG 3.49Å; L230-L234 PolarHBondContact O-N 2.77Å; L230-I254 HydrophobicContact CD1-CG2 4.41Å; L230-I254 HydrophobicContact CD2-CB 4.11Å; L230-I254 HydrophobicContact CD2-CD1 4.22Å; L230-I254 HydrophobicContact CD2-CG2 3.8Å; L230-I254 HydrophobicContact CG-CG2 3.83Å; L230-Y255 HydrophobicContact CD1-CE1 3.9Å; L230-Y255 HydrophobicContact CD2-CD2 4.08Å; L230-Y255 HydrophobicContact CD2-CE1 4.27Å; L230-Y255 HydrophobicContact CD2-CE2 3.49Å; L230-Y255 VanDerWaalsContact CD2-CE2 3.49Å; L230-M258 HydrophobicContact CD1-SD 4.06Å
231	K	94.9	Very high	89.7	Confident	171 Å²	171	65.9 Å²	65.9	74%	0.743	39%	0.385	S	S	*	.	H	α-helix	trans	-58.9	-24.4	176.9	-174.7	174.3	179.9	179.6	0	113.5	A227 K228 P235	A227-K231 WeakPolarHBondContact O-CB 3.44Å; A227-K231 PolarHBondContact O-N 3.34Å; K228-K231 PolarHBondContact O-N 3.42Å; K231-P235 WeakPolarHBondContact O-CD 3.43Å
232	L	92.5	Very high	89.2	Confident	73 Å²	73	72.5 Å²	72.5	38%	0.382	41%	0.41	S	S	.	.	H	α-helix	trans	-93.1	-30.2	178.7	-69.6	167.3	0	0	0	113.6	Y213 I214 L217 K228 A229 L230 I236	Y213-L232 HydrophobicContact CD1-CD1 4.02Å; Y213-L232 HydrophobicContact CE1-CD1 3.6Å; I214-L232 HydrophobicContact CD1-CB 3.94Å; I214-L232 HydrophobicContact CG1-CB 3.92Å; I214-L232 HydrophobicContact CG1-CD1 4.41Å; L217-L232 HydrophobicContact CD1-CD1 4.19Å; K228-L232 HydrophobicContact CG-CD1 4.32Å; K228-L232 WeakPolarHBondContact O-CD1 3.46Å; K228-L232 VanDerWaalsContact O-CG 3.28Å; K228-L232 WeakPolarHBondContact O-CG 3.34Å; K228-L232 PolarHBondContact O-N 2.96Å; A229-L232 PolarHBondContact O-N 3.13Å; A229-L232 VanDerWaalsContact O-N 3.16Å; L230-L232 PolarHBondContact O-N 3.39Å; L230-L232 VanDerWaalsContact O-N 3.12Å; L232-I236 WeakPolarHBondContact O-CD1 3.45Å
233	I	94.2	Very high	88.9	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.005	40%	0.395	C	S	.	.	H	α-helix	trans	-92.4	-36.7	-177.2	-156.3	170.2	0	0	0	113.7	I214 A229 L230 I236 V237 V247 L250 C251 I254	I214-I233 HydrophobicContact CD1-CB 4.11Å; I214-I233 HydrophobicContact CD1-CG1 4.44Å; I214-I233 HydrophobicContact CG2-CB 4.25Å; I214-I233 HydrophobicContact CG2-CD1 4.21Å; A229-I233 PolarHBondContact O-N 2.75Å; L230-I233 HydrophobicContact CD2-CG2 4.46Å; L230-I233 PolarHBondContact O-N 3.36Å; I233-I236 WeakPolarHBondContact O-CA 3.39Å; I233-I236 WeakPolarHBondContact O-CB 3.41Å; I233-I236 PolarHBondContact O-N 3.13Å; I233-V237 HydrophobicContact CG1-CG1 4.41Å; I233-V237 PolarHBondContact O-N 3.22Å; I233-V247 HydrophobicContact CD1-CG1 4.03Å; I233-V247 WeakPolarHBondContact CD1-O 3.23Å; I233-V247 HydrophobicContact CG1-CG1 4.02Å; I233-L250 HydrophobicContact CD1-CB 3.9Å; I233-L250 HydrophobicContact CD1-CD2 3.97Å; I233-L250 HydrophobicContact CD1-CG 3.78Å; I233-C251 HydrophobicContact CD1-CB 4Å; I233-C251 HydrophobicContact CG2-CB 4.29Å; I233-I254 HydrophobicContact CG2-CD1 4.01Å
234	L	93.9	Very high	88.8	Confident	34 Å²	34	65 Å²	65	18%	0.178	38%	0.375	C	S	.	.	H	α-helix	trans	-55.8	-47.5	-177.6	-70.6	169.7	0	0	0	112.2	L230 I236 V237 E238 W276	L230-L234 HydrophobicContact CB-CD1 4.17Å; L230-L234 WeakPolarHBondContact O-CB 3.35Å; L230-L234 WeakPolarHBondContact O-CG 3.49Å; L230-L234 PolarHBondContact O-N 2.77Å; L234-I236 PolarHBondContact O-N 3.45Å; L234-V237 HydrophobicContact CD2-CG2 4.31Å; L234-V237 WeakPolarHBondContact O-CG2 3.39Å; L234-V237 PolarHBondContact O-N 3.27Å; L234-V237 VanDerWaalsContact O-N 3.15Å; L234-E238 VanDerWaalsContact O-CB 3.27Å; L234-E238 WeakPolarHBondContact O-CB 3.48Å; L234-E238 WeakPolarHBondContact O-CG 3.41Å; L234-E238 PolarHBondContact O-N 3.07Å; L234-W276 HydrophobicContact CD2-CZ2 3.88Å
235	P	92.1	Very high	88.7	Confident	83 Å²	83	62.9 Å²	62.9	54%	0.539	35%	0.352	S	S	.	.	H	α-helix	trans	-63	-14.7	175.9	-21.9	34.6	0	0	0	115	K231	K231-P235 WeakPolarHBondContact O-CD 3.43Å
236	I	89.3	Confident	88.5	Confident	48 Å²	48	67.2 Å²	67.2	25%	0.246	38%	0.375	C	S	.	.	H	α-helix	trans	-85.2	-51.6	173.8	-54.1	175.4	0	0	0	109.3	L232 I233 L234 E238 S239 V243 V247	L232-I236 WeakPolarHBondContact O-CD1 3.45Å; I233-I236 WeakPolarHBondContact O-CA 3.39Å; I233-I236 WeakPolarHBondContact O-CB 3.41Å; I233-I236 PolarHBondContact O-N 3.13Å; L234-I236 PolarHBondContact O-N 3.45Å; I236-E238 VanDerWaalsContact C-N 3.33Å; I236-E238 PolarHBondContact O-N 3.18Å; I236-S239 WeakPolarHBondContact O-CB 3.35Å; I236-S239 PolarHBondContact O-N 3.38Å; I236-S239 PolarHBondContact O-OG 3.37Å; I236-V243 HydrophobicContact CG2-CG2 4.44Å; I236-V243 WeakPolarHBondContact O-CG2 3.46Å; I236-V247 HydrophobicContact CG2-CG1 4.29Å
237	V	88.9	Confident	88.4	Confident	8 Å²	8	67.1 Å²	67.1	5%	0.048	38%	0.378	C	S	.	.	H	α-helix	trans	-72.3	-23	-177.6	-66.6	0	0	0	0	113.9	I233 L234 V243 V247 Y248 C251 W276	I233-V237 HydrophobicContact CG1-CG1 4.41Å; I233-V237 PolarHBondContact O-N 3.22Å; L234-V237 HydrophobicContact CD2-CG2 4.31Å; L234-V237 WeakPolarHBondContact O-CG2 3.39Å; L234-V237 PolarHBondContact O-N 3.27Å; L234-V237 VanDerWaalsContact O-N 3.15Å; V237-V243 HydrophobicContact CG1-CG1 4.3Å; V237-V247 HydrophobicContact CG1-CG1 3.87Å; V237-Y248 HydrophobicContact CB-CD1 3.81Å; V237-Y248 HydrophobicContact CB-CE1 3.67Å; V237-Y248 HydrophobicContact CG1-CD1 3.61Å; V237-Y248 HydrophobicContact CG1-CE1 3.88Å; V237-Y248 HydrophobicContact CG1-CG 4.42Å; V237-C251 HydrophobicContact CG1-CB 4.43Å; V237-W276 HydrophobicContact CB-CE3 4.43Å; V237-W276 HydrophobicContact CB-CH2 4.07Å; V237-W276 HydrophobicContact CB-CZ3 3.8Å; V237-W276 HydrophobicContact CG2-CE3 4.33Å; V237-W276 HydrophobicContact CG2-CH2 3.54Å; V237-W276 HydrophobicContact CG2-CZ2 4.01Å; V237-W276 HydrophobicContact CG2-CZ3 3.73Å
238	E	88.8	Confident	88.4	Confident	126 Å²	126	65.6 Å²	65.6	59%	0.589	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-2.6	178.1	-63.6	170.8	162	0	0	113.4	L234 I236 G240 W276	L234-E238 VanDerWaalsContact O-CB 3.27Å; L234-E238 WeakPolarHBondContact O-CB 3.48Å; L234-E238 WeakPolarHBondContact O-CG 3.41Å; L234-E238 PolarHBondContact O-N 3.07Å; I236-E238 VanDerWaalsContact C-N 3.33Å; I236-E238 PolarHBondContact O-N 3.18Å; E238-G240 PolarHBondContact O-N 3.04Å; E238-G240 VanDerWaalsContact O-N 3.16Å; E238-W276 HydrophobicContact CG-CH2 4Å; E238-W276 HydrophobicContact CG-CZ2 4.48Å
239	S	82.3	Confident	88.4	Confident	59 Å²	59	61.6 Å²	61.6	41%	0.413	34%	0.341	S	S	.	.	S	Bend	trans	-61.1	-23.4	-175.3	58.8	0	0	0	0	115.3	I236 D241	I236-S239 WeakPolarHBondContact O-CB 3.35Å; I236-S239 PolarHBondContact O-N 3.38Å; I236-S239 PolarHBondContact O-OG 3.37Å; S239-D241 VanDerWaalsContact C-N 3.28Å; S239-D241 PolarHBondContact OG-N 3.37Å
240	G	65.6	Low	88.3	Confident	75 Å²	75	61.9 Å²	61.9	77%	0.773	34%	0.342	S	S	*	.	S	Bend	trans	85.5	-9.8	-171.3	0	0	0	0	0	114.5	E238	E238-G240 PolarHBondContact O-N 3.04Å; E238-G240 VanDerWaalsContact O-N 3.16Å
241	D	75.9	Confident	88.3	Confident	124 Å²	124	60.9 Å²	60.9	66%	0.663	34%	0.337	S	S	*	.	S	Bend	trans	-71.7	164.7	173.9	-77.5	-40.7	0	0	0	112.3	S239 V243	S239-D241 VanDerWaalsContact C-N 3.28Å; S239-D241 PolarHBondContact OG-N 3.37Å; D241-V243 PolarHBondContact O-N 3.14Å
242	K	76.9	Confident	88.4	Confident	216 Å²	216	52.7 Å²	52.7	94%	0.939	30%	0.302	S	S	*	.			trans	-73.7	89.6	175.5	-171.5	-179.1	177.9	-179.2	0	111.4
243	V	85.4	Confident	88.5	Confident	22 Å²	22	49.8 Å²	49.8	13%	0.133	29%	0.285	C	S	.	.			trans	-82.9	144.5	178	176.1	0	0	0	0	111.9	I236 V237 D241 V247 Y248	I236-V243 HydrophobicContact CG2-CG2 4.44Å; I236-V243 WeakPolarHBondContact O-CG2 3.46Å; V237-V243 HydrophobicContact CG1-CG1 4.3Å; D241-V243 PolarHBondContact O-N 3.14Å; V243-V247 HydrophobicContact CG1-CB 3.61Å; V243-V247 HydrophobicContact CG1-CG1 3.94Å; V243-V247 HydrophobicContact CG1-CG2 4.14Å; V243-Y248 HydrophobicContact CB-CE2 3.77Å; V243-Y248 HydrophobicContact CG1-CD2 4.2Å; V243-Y248 HydrophobicContact CG1-CE1 4.45Å; V243-Y248 HydrophobicContact CG1-CE2 3.93Å
244	A	86.5	Confident	88.6	Confident	60 Å²	60	49.7 Å²	49.7	50%	0.496	29%	0.285	S	S	.	.			trans	-76.8	149.2	178.8	0	0	0	0	0	113	D246 V247	A244-D246 VanDerWaalsContact C-N 3.27Å; A244-D246 PolarHBondContact O-N 3.15Å; A244-V247 HydrophobicContact CB-CG2 4.49Å; A244-V247 PolarHBondContact O-N 3.4Å
245	S	88.8	Confident	88.7	Confident	4 Å²	4	49.5 Å²	49.5	3%	0.028	28%	0.282	C	S	.	.	H	α-helix	trans	-55.7	-38.1	-175.2	-162.8	0	0	0	0	113.4	V247 Y248 C249 A280	S245-V247 VanDerWaalsContact C-N 3.27Å; S245-V247 PolarHBondContact O-N 2.76Å; S245-Y248 PolarHBondContact O-N 3.05Å; S245-C249 WeakPolarHBondContact O-CB 3.4Å; S245-C249 PolarHBondContact O-N 3.17Å; S245-C249 PolarHBondContact O-SG 3.11Å; S245-A280 PolarHBondContact OG-O 3.05Å
246	D	89.4	Confident	88.8	Confident	101 Å²	101	45.5 Å²	45.5	54%	0.54	26%	0.256	S	S	.	.	H	α-helix	trans	-59.6	-33.3	177.4	-75.4	-30.5	0	0	0	113.4	F211 A244 C249 L250	F211-D246 HydrophobicContact CE2-CB 4.14Å; F211-D246 WeakPolarHBondContact CE2-O 3.46Å; F211-D246 HydrophobicContact CZ-CB 4.26Å; A244-D246 VanDerWaalsContact C-N 3.27Å; A244-D246 PolarHBondContact O-N 3.15Å; D246-C249 PolarHBondContact O-N 3.34Å; D246-L250 WeakPolarHBondContact O-CB 3.44Å; D246-L250 PolarHBondContact O-N 3.43Å
247	V	91.6	Very high	89.1	Confident	29 Å²	29	43.4 Å²	43.4	18%	0.176	25%	0.246	C	C	.	.	H	α-helix	trans	-73.6	-41.7	-179.9	-172.1	0	0	0	0	110.4	F211 I233 I236 V237 V243 A244 S245 C249 L250 C251	F211-V247 HydrophobicContact CD2-CG2 4.29Å; I233-V247 HydrophobicContact CD1-CG1 4.03Å; I233-V247 WeakPolarHBondContact CD1-O 3.23Å; I233-V247 HydrophobicContact CG1-CG1 4.02Å; I236-V247 HydrophobicContact CG2-CG1 4.29Å; V237-V247 HydrophobicContact CG1-CG1 3.87Å; V243-V247 HydrophobicContact CG1-CB 3.61Å; V243-V247 HydrophobicContact CG1-CG1 3.94Å; V243-V247 HydrophobicContact CG1-CG2 4.14Å; A244-V247 HydrophobicContact CB-CG2 4.49Å; A244-V247 PolarHBondContact O-N 3.4Å; S245-V247 VanDerWaalsContact C-N 3.27Å; S245-V247 PolarHBondContact O-N 2.76Å; V247-C249 VanDerWaalsContact C-N 3.33Å; V247-L250 PolarHBondContact O-N 2.81Å; V247-C251 PolarHBondContact O-N 3.32Å
248	Y	93.6	Very high	89.3	Confident	36 Å²	36	45.4 Å²	45.4	14%	0.141	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-40.3	170.2	-67.4	-61.1	0	0	0	111.5	V237 V243 S245 L250 C251 G252 W276 A283	V237-Y248 HydrophobicContact CB-CD1 3.81Å; V237-Y248 HydrophobicContact CB-CE1 3.67Å; V237-Y248 HydrophobicContact CG1-CD1 3.61Å; V237-Y248 HydrophobicContact CG1-CE1 3.88Å; V237-Y248 HydrophobicContact CG1-CG 4.42Å; V243-Y248 HydrophobicContact CB-CE2 3.77Å; V243-Y248 HydrophobicContact CG1-CD2 4.2Å; V243-Y248 HydrophobicContact CG1-CE1 4.45Å; V243-Y248 HydrophobicContact CG1-CE2 3.93Å; S245-Y248 PolarHBondContact O-N 3.05Å; Y248-L250 VanDerWaalsContact C-N 3.35Å; Y248-L250 PolarHBondContact O-N 3.17Å; Y248-C251 PolarHBondContact O-N 2.96Å; Y248-G252 PolarHBondContact O-N 3.17Å; Y248-W276 AromaticContact CD1-CE3 3.75Å; Y248-W276 HydrophobicContact CD1-CE3 3.75Å; Y248-W276 AromaticContact CD1-CZ3 3.88Å; Y248-W276 HydrophobicContact CD1-CZ3 3.88Å; Y248-W276 HydrophobicContact CE1-CE3 4.24Å; Y248-W276 AromaticContact CE1-CZ3 3.9Å; Y248-W276 HydrophobicContact CE1-CZ3 3.9Å; Y248-A283 HydrophobicContact CE2-CB 4.44Å
249	C	94.3	Very high	89.6	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.014	23%	0.228	C	C	.	.	H	α-helix	trans	-63.7	-35.6	173.6	-69.1	0	0	0	0	113	S245 D246 V247 R253 Y277 A280	S245-C249 WeakPolarHBondContact O-CB 3.4Å; S245-C249 PolarHBondContact O-N 3.17Å; S245-C249 PolarHBondContact O-SG 3.11Å; D246-C249 PolarHBondContact O-N 3.34Å; V247-C249 VanDerWaalsContact C-N 3.33Å; C249-R253 VanDerWaalsContact O-CB 3.3Å; C249-R253 WeakPolarHBondContact O-CB 3.4Å; C249-R253 PolarHBondContact O-N 3.39Å; C249-Y277 HydrophobicContact CB-CD1 4.2Å; C249-Y277 HydrophobicContact CB-CE1 3.81Å; C249-Y277 PolarHBondContact O-OH 3.02Å; C249-A280 VanDerWaalsContact SG-CB 3.53Å
250	L	95	Very high	90.1	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.031	22%	0.216	C	C	.	.	H	α-helix	trans	-68.6	-39.9	174.4	180	58	0	0	0	111.3	F211 I214 F215 I233 D246 V247 Y248 R253 I254	F211-L250 HydrophobicContact CD1-CD2 4.44Å; F211-L250 HydrophobicContact CD2-CB 4.4Å; F211-L250 HydrophobicContact CD2-CD2 3.47Å; F211-L250 VanDerWaalsContact CD2-CD2 3.47Å; F211-L250 HydrophobicContact CE1-CD2 4.49Å; F211-L250 HydrophobicContact CE2-CB 3.75Å; F211-L250 HydrophobicContact CE2-CD2 3.54Å; F211-L250 HydrophobicContact CE2-CG 4.25Å; F211-L250 HydrophobicContact CG-CD2 3.95Å; F211-L250 HydrophobicContact CZ-CB 4.3Å; F211-L250 HydrophobicContact CZ-CD2 4.07Å; I214-L250 HydrophobicContact CB-CD2 4.12Å; I214-L250 HydrophobicContact CG2-CD2 3.77Å; I214-L250 HydrophobicContact CG2-CG 4.15Å; F215-L250 HydrophobicContact CB-CD1 4.2Å; F215-L250 HydrophobicContact CD2-CD1 4.04Å; I233-L250 HydrophobicContact CD1-CB 3.9Å; I233-L250 HydrophobicContact CD1-CD2 3.97Å; I233-L250 HydrophobicContact CD1-CG 3.78Å; D246-L250 WeakPolarHBondContact O-CB 3.44Å; D246-L250 PolarHBondContact O-N 3.43Å; V247-L250 PolarHBondContact O-N 2.81Å; Y248-L250 VanDerWaalsContact C-N 3.35Å; Y248-L250 PolarHBondContact O-N 3.17Å; L250-R253 PolarHBondContact O-N 3.33Å; L250-I254 WeakPolarHBondContact O-CG1 3.27Å; L250-I254 PolarHBondContact O-N 2.89Å
251	C	95.4	Very high	91.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.9	-51.5	173	-166.2	0	0	0	0	110.6	I233 V237 V247 Y248 R253 I254 Y255 W276	I233-C251 HydrophobicContact CD1-CB 4Å; I233-C251 HydrophobicContact CG2-CB 4.29Å; V237-C251 HydrophobicContact CG1-CB 4.43Å; V247-C251 PolarHBondContact O-N 3.32Å; Y248-C251 PolarHBondContact O-N 2.96Å; C251-R253 PolarHBondContact O-N 3Å; C251-I254 PolarHBondContact O-N 2.82Å; C251-I254 VanDerWaalsContact O-N 3.14Å; C251-Y255 WeakPolarHBondContact O-CD2 3.39Å; C251-Y255 PolarHBondContact O-N 2.99Å; C251-W276 HydrophobicContact CB-CB 4.38Å; C251-W276 HydrophobicContact CB-CD2 4.35Å; C251-W276 HydrophobicContact CB-CG 4.14Å
252	G	95.4	Very high	92.1	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.5	-34.4	174.2	0	0	0	0	0	113.2	Y248 K256 A273 Y277	Y248-G252 PolarHBondContact O-N 3.17Å; G252-K256 WeakPolarHBondContact O-CB 3.24Å; G252-K256 PolarHBondContact O-N 3.26Å; G252-A273 WeakPolarHBondContact O-CB 3.45Å; G252-Y277 WeakPolarHBondContact O-CE2 3.47Å
253	R	95.3	Very high	92.7	Very high	11 Å²	11	26.2 Å²	26.2	4%	0.042	16%	0.164	C	C	.	.	H	α-helix	trans	-68	-41.1	175.5	-171.4	173.2	-173.3	165.6	5	112.9	R219 C249 L250 C251 Y255 K256 D257 Y277 S371 E374	R219-R253 VanDerWaalsContact NH1-NH2 3.14Å; C249-R253 VanDerWaalsContact O-CB 3.3Å; C249-R253 WeakPolarHBondContact O-CB 3.4Å; C249-R253 PolarHBondContact O-N 3.39Å; L250-R253 PolarHBondContact O-N 3.33Å; C251-R253 PolarHBondContact O-N 3Å; R253-Y255 VanDerWaalsContact C-N 3.29Å; R253-Y255 PolarHBondContact O-N 3.45Å; R253-K256 PolarHBondContact O-N 3.47Å; R253-D257 WeakPolarHBondContact CG-OD1 3.39Å; R253-D257 IonicContact NE-OD1 3.98Å; R253-D257 IonicContact NE-OD2 2.81Å; R253-D257 PolarHBondContact NE-OD2 2.94Å; R253-D257 VanDerWaalsContact O-CB 3.31Å; R253-D257 WeakPolarHBondContact O-CB 3.46Å; R253-D257 VanDerWaalsContact O-CG 3.22Å; R253-D257 PolarHBondContact O-N 2.67Å; R253-Y277 WeakPolarHBondContact CA-OH 3.44Å; R253-Y277 WeakPolarHBondContact CB-OH 3.45Å; R253-Y277 PolarHBondContact N-OH 3.39Å; R253-S371 PolarHBondContact NH1-OG 3.47Å; R253-S371 VanDerWaalsContact NH1-OG 3.08Å; R253-S371 PolarHBondContact NH2-OG 2.82Å; R253-E374 IonicContact CZ-OE2 3.28Å; R253-E374 IonicContact NE-OE2 2.78Å; R253-E374 IonicContact NH2-OE1 2.63Å; R253-E374 IonicContact NH2-OE2 3.4Å; R253-E374 PolarHBondContact NH2-OE2 3.33Å
254	I	95.8	Very high	93.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.4	-46.5	178.8	-62.3	156.7	0	0	0	109.5	I214 N218 R226 A229 L230 I233 L250 C251 D257 M258	I214-I254 HydrophobicContact CG2-CD1 3.86Å; N218-I254 HydrophobicContact CB-CG1 4Å; R226-I254 HydrophobicContact CB-CG2 4.16Å; R226-I254 HydrophobicContact CG-CG2 4.37Å; A229-I254 HydrophobicContact CB-CD1 3.98Å; L230-I254 HydrophobicContact CD1-CG2 4.41Å; L230-I254 HydrophobicContact CD2-CB 4.11Å; L230-I254 HydrophobicContact CD2-CD1 4.22Å; L230-I254 HydrophobicContact CD2-CG2 3.8Å; L230-I254 HydrophobicContact CG-CG2 3.83Å; I233-I254 HydrophobicContact CG2-CD1 4.01Å; L250-I254 WeakPolarHBondContact O-CG1 3.27Å; L250-I254 PolarHBondContact O-N 2.89Å; C251-I254 PolarHBondContact O-N 2.82Å; C251-I254 VanDerWaalsContact O-N 3.14Å; I254-D257 PolarHBondContact O-N 2.95Å; I254-M258 HydrophobicContact CG2-SD 4.16Å; I254-M258 VanDerWaalsContact O-CG 3.27Å; I254-M258 WeakPolarHBondContact O-CG 3.28Å; I254-M258 PolarHBondContact O-N 3.15Å
255	Y	96.6	Very high	93.3	Very high	29 Å²	29	30 Å²	30	11%	0.114	18%	0.177	C	C	.	.	H	α-helix	trans	-66.2	-39.4	175.3	-72.8	-69	0	0	0	113.1	L230 C251 R253 M258 F259 S269 Q272 W276	L230-Y255 HydrophobicContact CD1-CE1 3.9Å; L230-Y255 HydrophobicContact CD2-CD2 4.08Å; L230-Y255 HydrophobicContact CD2-CE1 4.27Å; L230-Y255 HydrophobicContact CD2-CE2 3.49Å; L230-Y255 VanDerWaalsContact CD2-CE2 3.49Å; C251-Y255 WeakPolarHBondContact O-CD2 3.39Å; C251-Y255 PolarHBondContact O-N 2.99Å; R253-Y255 VanDerWaalsContact C-N 3.29Å; R253-Y255 PolarHBondContact O-N 3.45Å; Y255-M258 HydrophobicContact CD1-SD 4.46Å; Y255-M258 WeakPolarHBondContact O-CB 3.25Å; Y255-M258 PolarHBondContact O-N 3.07Å; Y255-F259 PolarHBondContact O-N 3.05Å; Y255-S269 WeakPolarHBondContact CB-O 3.28Å; Y255-S269 WeakPolarHBondContact O-CB 3.39Å; Y255-Q272 HydrophobicContact CD1-CB 3.64Å; Y255-Q272 HydrophobicContact CD1-CG 4.31Å; Y255-Q272 HydrophobicContact CD2-CB 3.89Å; Y255-Q272 HydrophobicContact CE1-CB 3.85Å; Y255-Q272 HydrophobicContact CE1-CG 4.06Å; Y255-Q272 HydrophobicContact CE2-CB 4.09Å; Y255-Q272 HydrophobicContact CG-CB 3.66Å; Y255-W276 AromaticContact CD2-CD1 3.7Å; Y255-W276 AromaticContact CE2-CD1 3.73Å; Y255-W276 AromaticContact CE2-NE1 3.63Å
256	K	95.3	Very high	93.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.8	-48.3	173.6	-169.8	-166.2	81.4	175.3	0	111.3	G252 R253 M258 F259 M260 A273 Y277 N292 L296 E374 T375 L378	G252-K256 WeakPolarHBondContact O-CB 3.24Å; G252-K256 PolarHBondContact O-N 3.26Å; R253-K256 PolarHBondContact O-N 3.47Å; K256-M258 VanDerWaalsContact C-N 3.3Å; K256-M258 PolarHBondContact O-N 2.99Å; K256-F259 PolarHBondContact O-N 3.4Å; K256-M260 WeakPolarHBondContact O-CG 3.22Å; K256-M260 PolarHBondContact O-N 3.48Å; K256-A273 HydrophobicContact CB-CB 4.22Å; K256-Y277 HydrophobicContact CB-CE2 4.31Å; K256-Y277 HydrophobicContact CD-CE2 4.42Å; K256-N292 PolarHBondContact NZ-OD1 3.37Å; K256-L296 HydrophobicContact CG-CD2 4.47Å; K256-E374 IonicContact NZ-OE2 3.67Å; K256-T375 PolarHBondContact NZ-OG1 2.86Å; K256-L378 HydrophobicContact CD-CD1 3.75Å; K256-L378 HydrophobicContact CG-CD1 3.64Å
257	D	94.4	Very high	93.9	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-68.7	-30.8	-178	-66.6	10.1	0	0	0	110.4	N218 R219 R226 R253 I254 S261	N218-D257 PolarHBondContact ND2-OD2 2.99Å; R219-D257 IonicContact NH1-OD2 3.66Å; R219-D257 PolarHBondContact NH1-OD2 2.91Å; R226-D257 PolarHBondContact NH1-O 3.08Å; R253-D257 WeakPolarHBondContact CG-OD1 3.39Å; R253-D257 IonicContact NE-OD1 3.98Å; R253-D257 IonicContact NE-OD2 2.81Å; R253-D257 PolarHBondContact NE-OD2 2.94Å; R253-D257 VanDerWaalsContact O-CB 3.31Å; R253-D257 WeakPolarHBondContact O-CB 3.46Å; R253-D257 VanDerWaalsContact O-CG 3.22Å; R253-D257 PolarHBondContact O-N 2.67Å; I254-D257 PolarHBondContact O-N 2.95Å; D257-S261 VanDerWaalsContact O-CB 3.28Å; D257-S261 WeakPolarHBondContact O-CB 3.42Å; D257-S261 PolarHBondContact O-N 3.49Å; D257-S261 PolarHBondContact O-OG 2.82Å
258	M	94.1	Very high	94	Very high	50 Å²	50	33.4 Å²	33.4	25%	0.246	20%	0.203	C	C	.	.	H	α-helix	trans	-64.1	-51.9	167.4	-74.4	171.4	62.1	0	0	112.3	R226 L230 I254 Y255 K256 M260 S261 S262	R226-M258 HydrophobicContact CB-SD 4.36Å; R226-M258 VanDerWaalsContact CD-CG 3.48Å; L230-M258 HydrophobicContact CD1-SD 4.06Å; I254-M258 HydrophobicContact CG2-SD 4.16Å; I254-M258 VanDerWaalsContact O-CG 3.27Å; I254-M258 WeakPolarHBondContact O-CG 3.28Å; I254-M258 PolarHBondContact O-N 3.15Å; Y255-M258 HydrophobicContact CD1-SD 4.46Å; Y255-M258 WeakPolarHBondContact O-CB 3.25Å; Y255-M258 PolarHBondContact O-N 3.07Å; K256-M258 VanDerWaalsContact C-N 3.3Å; K256-M258 PolarHBondContact O-N 2.99Å; M258-M260 VanDerWaalsContact C-N 3.33Å; M258-M260 PolarHBondContact O-N 3.08Å; M258-S261 PolarHBondContact O-N 3.18Å; M258-S261 VanDerWaalsContact O-N 3.1Å; M258-S262 PolarHBondContact O-N 3.39Å
259	F	95.2	Very high	94.1	Very high	3 Å²	3	31.9 Å²	31.9	1%	0.013	20%	0.197	C	C	.	.	H	α-helix	trans	-56.5	-45.3	176.8	173	-123.8	0	0	0	111.8	Y255 K256 S262 F264 D266 R270 A299 L378 F382	Y255-F259 PolarHBondContact O-N 3.05Å; K256-F259 PolarHBondContact O-N 3.4Å; F259-S262 PolarHBondContact O-N 3.04Å; F259-S262 PolarHBondContact O-OG 3.33Å; F259-F264 HydrophobicContact CD1-CD1 4.41Å; F259-F264 HydrophobicContact CE1-CB 4.45Å; F259-F264 HydrophobicContact CE1-CD1 4.03Å; F259-F264 VanDerWaalsContact CE2-C 3.44Å; F259-F264 VanDerWaalsContact CE2-CA 3.47Å; F259-F264 HydrophobicContact CE2-CB 3.89Å; F259-F264 WeakPolarHBondContact CE2-O 3.36Å; F259-F264 HydrophobicContact CZ-CB 3.8Å; F259-F264 HydrophobicContact CZ-CD1 4.22Å; F259-F264 WeakPolarHBondContact O-CA 3.24Å; F259-F264 PolarHBondContact O-N 2.93Å; F259-F264 VanDerWaalsContact O-N 3.14Å; F259-D266 WeakPolarHBondContact CD2-O 3.12Å; F259-R270 HydrophobicContact CD1-CB 4.09Å; F259-R270 HydrophobicContact CD1-CG 4.19Å; F259-R270 HydrophobicContact CD2-CB 3.83Å; F259-R270 HydrophobicContact CE1-CB 4.17Å; F259-R270 HydrophobicContact CE1-CG 3.93Å; F259-R270 HydrophobicContact CE2-CB 3.9Å; F259-R270 HydrophobicContact CE2-CG 4.33Å; F259-R270 HydrophobicContact CG-CB 3.91Å; F259-R270 HydrophobicContact CZ-CB 4.08Å; F259-R270 HydrophobicContact CZ-CG 4Å; F259-A299 HydrophobicContact CE1-CB 4.09Å; F259-A299 HydrophobicContact CZ-CB 4.37Å; F259-L378 HydrophobicContact CD1-CD2 3.94Å; F259-L378 HydrophobicContact CE1-CD2 3.69Å; F259-F382 HydrophobicContact CE1-CE2 4.22Å; F259-F382 HydrophobicContact CZ-CE2 4.21Å; F259-F382 HydrophobicContact CZ-CZ 4.05Å
260	M	92.8	Very high	94.2	Very high	33 Å²	33	33.7 Å²	33.7	16%	0.163	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-43.8	174.3	-68.6	-172	73.9	0	0	112.4	K256 M258 S262 G263 F264 E374 I377 L378	K256-M260 WeakPolarHBondContact O-CG 3.22Å; K256-M260 PolarHBondContact O-N 3.48Å; M258-M260 VanDerWaalsContact C-N 3.33Å; M258-M260 PolarHBondContact O-N 3.08Å; M260-S262 PolarHBondContact O-N 3.22Å; M260-G263 PolarHBondContact O-N 3.44Å; M260-G263 VanDerWaalsContact O-N 3.16Å; M260-F264 HydrophobicContact CG-CE1 4.14Å; M260-E374 HydrophobicContact CE-CB 4.06Å; M260-E374 HydrophobicContact CE-CG 4.22Å; M260-E374 WeakPolarHBondContact CE-O 3.49Å; M260-E374 HydrophobicContact SD-CB 3.86Å; M260-E374 HydrophobicContact SD-CG 4.21Å; M260-I377 HydrophobicContact CE-CB 4.07Å; M260-I377 HydrophobicContact CE-CG2 3.88Å; M260-L378 HydrophobicContact CE-CG 4.21Å; M260-L378 HydrophobicContact CG-CD1 3.9Å; M260-L378 HydrophobicContact CG-CD2 3.98Å; M260-L378 HydrophobicContact CG-CG 3.94Å; M260-L378 HydrophobicContact SD-CD1 3.65Å; M260-L378 HydrophobicContact SD-CG 3.88Å
261	S	91.1	Very high	94.2	Very high	72 Å²	72	36.9 Å²	36.9	50%	0.503	22%	0.221	S	C	.	.	H	α-helix	trans	-66.9	-23.4	179.3	-56.3	0	0	0	0	113.3	R226 D257 M258 G263	R226-S261 PolarHBondContact NH1-OG 2.93Å; R226-S261 PolarHBondContact NH2-OG 3.25Å; D257-S261 VanDerWaalsContact O-CB 3.28Å; D257-S261 WeakPolarHBondContact O-CB 3.42Å; D257-S261 PolarHBondContact O-N 3.49Å; D257-S261 PolarHBondContact O-OG 2.82Å; M258-S261 PolarHBondContact O-N 3.18Å; M258-S261 VanDerWaalsContact O-N 3.1Å; S261-G263 PolarHBondContact O-N 3.05Å
262	S	91.9	Very high	94.3	Very high	36 Å²	36	40.3 Å²	40.3	25%	0.252	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	1.1	174.9	78.2	0	0	0	0	114.3	M258 F259 M260 F264 T265 D266	M258-S262 PolarHBondContact O-N 3.39Å; F259-S262 PolarHBondContact O-N 3.04Å; F259-S262 PolarHBondContact O-OG 3.33Å; M260-S262 PolarHBondContact O-N 3.22Å; S262-F264 VanDerWaalsContact C-N 3.31Å; S262-F264 PolarHBondContact OG-N 3.16Å; S262-T265 WeakPolarHBondContact CB-OG1 3.39Å; S262-T265 PolarHBondContact O-OG1 3.28Å; S262-T265 PolarHBondContact OG-N 3.29Å; S262-D266 PolarHBondContact OG-N 2.99Å
263	G	90.1	Very high	94.3	Very high	52 Å²	52	40.3 Å²	40.3	54%	0.536	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	32.5	-169.3	0	0	0	0	0	112.6	M260 S261 T265	M260-G263 PolarHBondContact O-N 3.44Å; M260-G263 VanDerWaalsContact O-N 3.16Å; S261-G263 PolarHBondContact O-N 3.05Å; G263-T265 VanDerWaalsContact C-N 3.32Å; G263-T265 PolarHBondContact O-N 3.41Å
264	F	92.4	Very high	94.3	Very high	56 Å²	56	40.9 Å²	40.9	25%	0.246	24%	0.242	C	C	.	.	S	Bend	trans	63.8	27.6	-175.6	-38.7	-70.9	0	0	0	115.1	F259 M260 S262 I377 L378 Q381 F382	F259-F264 HydrophobicContact CD1-CD1 4.41Å; F259-F264 HydrophobicContact CE1-CB 4.45Å; F259-F264 HydrophobicContact CE1-CD1 4.03Å; F259-F264 VanDerWaalsContact CE2-C 3.44Å; F259-F264 VanDerWaalsContact CE2-CA 3.47Å; F259-F264 HydrophobicContact CE2-CB 3.89Å; F259-F264 WeakPolarHBondContact CE2-O 3.36Å; F259-F264 HydrophobicContact CZ-CB 3.8Å; F259-F264 HydrophobicContact CZ-CD1 4.22Å; F259-F264 WeakPolarHBondContact O-CA 3.24Å; F259-F264 PolarHBondContact O-N 2.93Å; F259-F264 VanDerWaalsContact O-N 3.14Å; M260-F264 HydrophobicContact CG-CE1 4.14Å; S262-F264 VanDerWaalsContact C-N 3.31Å; S262-F264 PolarHBondContact OG-N 3.16Å; F264-I377 HydrophobicContact CZ-CG2 4.1Å; F264-L378 HydrophobicContact CD1-CD2 3.78Å; F264-L378 HydrophobicContact CE1-CD2 3.56Å; F264-L378 HydrophobicContact CE1-CG 4.32Å; F264-Q381 HydrophobicContact CD2-CG 4Å; F264-Q381 HydrophobicContact CE2-CB 4.5Å; F264-Q381 HydrophobicContact CE2-CG 3.85Å; F264-Q381 HydrophobicContact CZ-CB 4.47Å; F264-Q381 HydrophobicContact CZ-CG 4.25Å; F264-F382 HydrophobicContact CB-CZ 4.15Å; F264-F382 HydrophobicContact CD1-CE2 4.26Å; F264-F382 HydrophobicContact CG-CE2 4.43Å; F264-F382 HydrophobicContact CG-CZ 4.4Å
265	T	92.1	Very high	94.2	Very high	106 Å²	106	46.6 Å²	46.6	65%	0.65	27%	0.265	S	S	*	.			trans	-97.3	-26	179.5	61.5	0	0	0	0	114.1	S262 G263 V267	S262-T265 WeakPolarHBondContact CB-OG1 3.39Å; S262-T265 PolarHBondContact O-OG1 3.28Å; S262-T265 PolarHBondContact OG-N 3.29Å; G263-T265 VanDerWaalsContact C-N 3.32Å; G263-T265 PolarHBondContact O-N 3.41Å; T265-V267 PolarHBondContact O-N 3.44Å
266	D	94.8	Very high	94.2	Very high	50 Å²	50	45.9 Å²	45.9	27%	0.267	26%	0.262	S	S	.	.			trans	-80.2	80.9	179.6	-175.1	-0.8	0	0	0	112.2	F259 S262 S268 S269 R270	F259-D266 WeakPolarHBondContact CD2-O 3.12Å; S262-D266 PolarHBondContact OG-N 2.99Å; D266-S268 PolarHBondContact O-N 2.99Å; D266-S268 WeakPolarHBondContact OD1-CB 3.35Å; D266-S268 PolarHBondContact OD1-N 3.46Å; D266-S268 VanDerWaalsContact OD1-N 3.13Å; D266-S269 VanDerWaalsContact CG-CB 3.48Å; D266-S269 VanDerWaalsContact CG-OG 3.3Å; D266-S269 PolarHBondContact O-N 3.03Å; D266-S269 PolarHBondContact OD1-N 2.88Å; D266-S269 WeakPolarHBondContact OD2-CB 3.39Å; D266-S269 PolarHBondContact OD2-OG 2.93Å; D266-R270 PolarHBondContact O-N 3.21Å; D266-R270 VanDerWaalsContact O-N 3.08Å
267	V	93.9	Very high	94.2	Very high	71 Å²	71	45.9 Å²	45.9	43%	0.43	26%	0.262	S	S	.	.	H	α-helix	trans	-57.1	-32.8	175.7	-174.7	0	0	0	0	112.2	T265 R270 D271	T265-V267 PolarHBondContact O-N 3.44Å; V267-R270 WeakPolarHBondContact O-CB 3.18Å; V267-R270 PolarHBondContact O-N 2.79Å; V267-D271 PolarHBondContact O-N 2.71Å
268	S	95.6	Very high	94.2	Very high	84 Å²	84	46.5 Å²	46.5	59%	0.587	27%	0.27	S	S	*	.	H	α-helix	trans	-66.6	-45.2	179.7	-169.4	0	0	0	0	111.2	D266 R270 D271 Q272	D266-S268 PolarHBondContact O-N 2.99Å; D266-S268 WeakPolarHBondContact OD1-CB 3.35Å; D266-S268 PolarHBondContact OD1-N 3.46Å; D266-S268 VanDerWaalsContact OD1-N 3.13Å; S268-R270 PolarHBondContact O-N 2.78Å; S268-D271 PolarHBondContact O-N 3.3Å; S268-Q272 WeakPolarHBondContact O-CG 3.47Å; S268-Q272 PolarHBondContact O-N 3.26Å
269	S	95.7	Very high	94.1	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.028	27%	0.273	C	S	.	.	H	α-helix	trans	-65.7	-34.6	172.7	-70.4	0	0	0	0	112.8	Y255 D266 D271 A273	Y255-S269 WeakPolarHBondContact CB-O 3.28Å; Y255-S269 WeakPolarHBondContact O-CB 3.39Å; D266-S269 VanDerWaalsContact CG-CB 3.48Å; D266-S269 VanDerWaalsContact CG-OG 3.3Å; D266-S269 PolarHBondContact O-N 3.03Å; D266-S269 PolarHBondContact OD1-N 2.88Å; D266-S269 WeakPolarHBondContact OD2-CB 3.39Å; D266-S269 PolarHBondContact OD2-OG 2.93Å; S269-D271 VanDerWaalsContact C-N 3.34Å; S269-D271 PolarHBondContact O-N 2.59Å; S269-A273 VanDerWaalsContact O-CB 3.27Å; S269-A273 WeakPolarHBondContact O-CB 3.47Å; S269-A273 PolarHBondContact O-N 3.3Å
270	R	95.8	Very high	94	Very high	41 Å²	41	47.5 Å²	47.5	16%	0.155	27%	0.273	C	S	.	.	H	α-helix	trans	-58	-47.7	172.3	-175.5	-159.6	66.4	-161.8	-3.1	111.3	F259 D266 V267 S268 A273 C274 L296 A299	F259-R270 HydrophobicContact CD1-CB 4.09Å; F259-R270 HydrophobicContact CD1-CG 4.19Å; F259-R270 HydrophobicContact CD2-CB 3.83Å; F259-R270 HydrophobicContact CE1-CB 4.17Å; F259-R270 HydrophobicContact CE1-CG 3.93Å; F259-R270 HydrophobicContact CE2-CB 3.9Å; F259-R270 HydrophobicContact CE2-CG 4.33Å; F259-R270 HydrophobicContact CG-CB 3.91Å; F259-R270 HydrophobicContact CZ-CB 4.08Å; F259-R270 HydrophobicContact CZ-CG 4Å; D266-R270 PolarHBondContact O-N 3.21Å; D266-R270 VanDerWaalsContact O-N 3.08Å; V267-R270 WeakPolarHBondContact O-CB 3.18Å; V267-R270 PolarHBondContact O-N 2.79Å; S268-R270 PolarHBondContact O-N 2.78Å; R270-A273 WeakPolarHBondContact O-CB 3.33Å; R270-A273 PolarHBondContact O-N 3.34Å; R270-C274 WeakPolarHBondContact O-CB 3.44Å; R270-C274 PolarHBondContact O-N 3.31Å; R270-L296 HydrophobicContact CG-CD2 4.14Å; R270-A299 VanDerWaalsContact CD-O 3.24Å; R270-A299 WeakPolarHBondContact CD-O 3.34Å; R270-A299 HydrophobicContact CG-CB 4.35Å; R270-A299 PolarHBondContact NH1-O 2.63Å
271	D	95.1	Very high	94	Very high	72 Å²	72	46.9 Å²	46.9	39%	0.385	27%	0.269	S	S	.	.	H	α-helix	trans	-74.4	-35.8	-173.6	-65.6	-15.4	0	0	0	111.8	V267 S268 S269 C274 Y275	V267-D271 PolarHBondContact O-N 2.71Å; S268-D271 PolarHBondContact O-N 3.3Å; S269-D271 VanDerWaalsContact C-N 3.34Å; S269-D271 PolarHBondContact O-N 2.59Å; D271-C274 PolarHBondContact O-N 2.91Å; D271-Y275 WeakPolarHBondContact O-CB 3.5Å; D271-Y275 PolarHBondContact O-N 3.35Å
272	Q	96.3	Very high	94	Very high	73 Å²	73	49.8 Å²	49.8	34%	0.341	27%	0.274	S	S	.	.	H	α-helix	trans	-62.6	-43.7	168.2	-73.8	-64.3	-39.9	0	0	112.3	Y255 S268 C274 Y275 W276	Y255-Q272 HydrophobicContact CD1-CB 3.64Å; Y255-Q272 HydrophobicContact CD1-CG 4.31Å; Y255-Q272 HydrophobicContact CD2-CB 3.89Å; Y255-Q272 HydrophobicContact CE1-CB 3.85Å; Y255-Q272 HydrophobicContact CE1-CG 4.06Å; Y255-Q272 HydrophobicContact CE2-CB 4.09Å; Y255-Q272 HydrophobicContact CG-CB 3.66Å; S268-Q272 WeakPolarHBondContact O-CG 3.47Å; S268-Q272 PolarHBondContact O-N 3.26Å; Q272-C274 VanDerWaalsContact C-N 3.31Å; Q272-C274 PolarHBondContact O-N 2.91Å; Q272-Y275 PolarHBondContact O-N 3.45Å; Q272-W276 PolarHBondContact O-N 2.57Å
273	A	96.1	Very high	93.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.7	-44.5	174.9	0	0	0	0	0	111.3	G252 K256 S269 R270 W276 Y277 L296	G252-A273 WeakPolarHBondContact O-CB 3.45Å; K256-A273 HydrophobicContact CB-CB 4.22Å; S269-A273 VanDerWaalsContact O-CB 3.27Å; S269-A273 WeakPolarHBondContact O-CB 3.47Å; S269-A273 PolarHBondContact O-N 3.3Å; R270-A273 WeakPolarHBondContact O-CB 3.33Å; R270-A273 PolarHBondContact O-N 3.34Å; A273-W276 PolarHBondContact O-N 2.95Å; A273-Y277 VanDerWaalsContact O-CD2 3.25Å; A273-Y277 WeakPolarHBondContact O-CD2 3.37Å; A273-Y277 PolarHBondContact O-N 2.92Å; A273-L296 HydrophobicContact CB-CD1 3.65Å; A273-L296 HydrophobicContact CB-CD2 4.13Å
274	C	94.8	Very high	93.9	Very high	22 Å²	22	53.9 Å²	53.9	15%	0.149	29%	0.287	C	S	.	.	H	α-helix	trans	-59.9	-47.1	177.8	-163.5	0	0	0	0	111.4	R270 D271 Q272 G278 L296	R270-C274 WeakPolarHBondContact O-CB 3.44Å; R270-C274 PolarHBondContact O-N 3.31Å; D271-C274 PolarHBondContact O-N 2.91Å; Q272-C274 VanDerWaalsContact C-N 3.31Å; Q272-C274 PolarHBondContact O-N 2.91Å; C274-G278 PolarHBondContact O-N 3.1Å; C274-L296 HydrophobicContact CB-CB 4.15Å
275	Y	95.1	Very high	93.8	Very high	121 Å²	121	54.4 Å²	54.4	48%	0.475	30%	0.296	S	S	.	.	H	α-helix	trans	-57.8	-50.7	175.8	177.1	-94.5	0	0	0	112.4	D271 Q272 G278 K279	D271-Y275 WeakPolarHBondContact O-CB 3.5Å; D271-Y275 PolarHBondContact O-N 3.35Å; Q272-Y275 PolarHBondContact O-N 3.45Å; Y275-G278 PolarHBondContact O-N 3.16Å; Y275-K279 HydrophobicContact CD1-CG 4.35Å; Y275-K279 HydrophobicContact CE1-CG 3.91Å; Y275-K279 HydrophobicContact CE2-CG 4.3Å; Y275-K279 WeakPolarHBondContact O-CG 3.37Å; Y275-K279 PolarHBondContact O-N 3.13Å
276	W	95.6	Very high	93.7	Very high	13 Å²	13	50.9 Å²	50.9	5%	0.049	27%	0.274	C	S	.	.	H	α-helix	trans	-70.1	-37.2	-176.1	-70.2	116.9	0	0	0	113.3	L234 V237 E238 Y248 C251 Y255 Q272 A273 K279 A280	L234-W276 HydrophobicContact CD2-CZ2 3.88Å; V237-W276 HydrophobicContact CB-CE3 4.43Å; V237-W276 HydrophobicContact CB-CH2 4.07Å; V237-W276 HydrophobicContact CB-CZ3 3.8Å; V237-W276 HydrophobicContact CG2-CE3 4.33Å; V237-W276 HydrophobicContact CG2-CH2 3.54Å; V237-W276 HydrophobicContact CG2-CZ2 4.01Å; V237-W276 HydrophobicContact CG2-CZ3 3.73Å; E238-W276 HydrophobicContact CG-CH2 4Å; E238-W276 HydrophobicContact CG-CZ2 4.48Å; Y248-W276 AromaticContact CD1-CE3 3.75Å; Y248-W276 HydrophobicContact CD1-CE3 3.75Å; Y248-W276 AromaticContact CD1-CZ3 3.88Å; Y248-W276 HydrophobicContact CD1-CZ3 3.88Å; Y248-W276 HydrophobicContact CE1-CE3 4.24Å; Y248-W276 AromaticContact CE1-CZ3 3.9Å; Y248-W276 HydrophobicContact CE1-CZ3 3.9Å; C251-W276 HydrophobicContact CB-CB 4.38Å; C251-W276 HydrophobicContact CB-CD2 4.35Å; C251-W276 HydrophobicContact CB-CG 4.14Å; Y255-W276 AromaticContact CD2-CD1 3.7Å; Y255-W276 AromaticContact CE2-CD1 3.73Å; Y255-W276 AromaticContact CE2-NE1 3.63Å; Q272-W276 PolarHBondContact O-N 2.57Å; A273-W276 PolarHBondContact O-N 2.95Å; W276-K279 PolarHBondContact O-N 2.91Å; W276-A280 WeakPolarHBondContact O-CB 3.27Å; W276-A280 PolarHBondContact O-N 3.49Å
277	Y	95.9	Very high	93.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-69.6	-34.5	171	-77.3	-65.3	0	0	0	112.3	C249 G252 R253 K256 A273 A280 F281 N292 S293 L296	C249-Y277 HydrophobicContact CB-CD1 4.2Å; C249-Y277 HydrophobicContact CB-CE1 3.81Å; C249-Y277 PolarHBondContact O-OH 3.02Å; G252-Y277 WeakPolarHBondContact O-CE2 3.47Å; R253-Y277 WeakPolarHBondContact CA-OH 3.44Å; R253-Y277 WeakPolarHBondContact CB-OH 3.45Å; R253-Y277 PolarHBondContact N-OH 3.39Å; K256-Y277 HydrophobicContact CB-CE2 4.31Å; K256-Y277 HydrophobicContact CD-CE2 4.42Å; A273-Y277 VanDerWaalsContact O-CD2 3.25Å; A273-Y277 WeakPolarHBondContact O-CD2 3.37Å; A273-Y277 PolarHBondContact O-N 2.92Å; Y277-A280 WeakPolarHBondContact O-CB 3.42Å; Y277-A280 PolarHBondContact O-N 3.37Å; Y277-F281 PolarHBondContact O-N 2.84Å; Y277-N292 HydrophobicContact CD1-CB 3.79Å; Y277-N292 HydrophobicContact CD2-CB 3.74Å; Y277-N292 HydrophobicContact CE1-CB 3.73Å; Y277-N292 HydrophobicContact CE2-CB 3.68Å; Y277-N292 HydrophobicContact CG-CB 3.78Å; Y277-S293 VanDerWaalsContact C-OG 3.24Å; Y277-S293 WeakPolarHBondContact CB-OG 3.37Å; Y277-S293 PolarHBondContact O-OG 3.36Å; Y277-L296 HydrophobicContact CD2-CD1 3.52Å; Y277-L296 HydrophobicContact CE2-CD1 3.99Å
278	G	93.4	Very high	93.3	Very high	18 Å²	18	47.9 Å²	47.9	19%	0.186	25%	0.254	C	S	.	.	H	α-helix	trans	-58.9	-50.1	170.4	0	0	0	0	0	111.9	C274 Y275 A280 F281 E282 S293	C274-G278 PolarHBondContact O-N 3.1Å; Y275-G278 PolarHBondContact O-N 3.16Å; G278-A280 VanDerWaalsContact C-N 3.33Å; G278-A280 PolarHBondContact O-N 3.04Å; G278-F281 PolarHBondContact O-N 3.29Å; G278-F281 VanDerWaalsContact O-N 3.08Å; G278-E282 WeakPolarHBondContact O-CG 3.35Å; G278-E282 PolarHBondContact O-N 2.69Å; G278-S293 PolarHBondContact N-OG 2.9Å
279	K	92.1	Very high	93.2	Very high	74 Å²	74	43.9 Å²	43.9	32%	0.322	23%	0.226	S	C	.	.	H	α-helix	trans	-60.2	-40.2	175	-72.5	-71.4	158.5	-150.2	0	112.8	Y275 W276 F281 E282 A283	Y275-K279 HydrophobicContact CD1-CG 4.35Å; Y275-K279 HydrophobicContact CE1-CG 3.91Å; Y275-K279 HydrophobicContact CE2-CG 4.3Å; Y275-K279 WeakPolarHBondContact O-CG 3.37Å; Y275-K279 PolarHBondContact O-N 3.13Å; W276-K279 PolarHBondContact O-N 2.91Å; K279-F281 VanDerWaalsContact C-N 3.3Å; K279-F281 PolarHBondContact O-N 3.29Å; K279-E282 WeakPolarHBondContact CE-OE2 3.44Å; K279-E282 IonicContact NZ-OE2 3.49Å; K279-E282 PolarHBondContact NZ-OE2 3.45Å; K279-E282 PolarHBondContact O-N 3.4Å; K279-A283 WeakPolarHBondContact O-CB 3.28Å; K279-A283 PolarHBondContact O-N 2.88Å
280	A	93.3	Very high	93.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58.9	-41.2	173.5	0	0	0	0	0	112.2	S245 C249 W276 Y277 G278 E284	S245-A280 PolarHBondContact OG-O 3.05Å; C249-A280 VanDerWaalsContact SG-CB 3.53Å; W276-A280 WeakPolarHBondContact O-CB 3.27Å; W276-A280 PolarHBondContact O-N 3.49Å; Y277-A280 WeakPolarHBondContact O-CB 3.42Å; Y277-A280 PolarHBondContact O-N 3.37Å; G278-A280 VanDerWaalsContact C-N 3.33Å; G278-A280 PolarHBondContact O-N 3.04Å; A280-E284 CarbonylContact O-C 3.59Å; A280-E284 PolarHBondContact O-N 3.15Å
281	F	93.3	Very high	92.9	Very high	20 Å²	20	42.4 Å²	42.4	9%	0.088	22%	0.221	C	C	.	.	H	α-helix	trans	-76.1	-32.1	179.9	-166.1	-104.2	0	0	0	113.6	Y277 G278 K279 E284 P285 S289 I313 T316	Y277-F281 PolarHBondContact O-N 2.84Å; G278-F281 PolarHBondContact O-N 3.29Å; G278-F281 VanDerWaalsContact O-N 3.08Å; K279-F281 VanDerWaalsContact C-N 3.3Å; K279-F281 PolarHBondContact O-N 3.29Å; F281-E284 CarbonylContact O-C 3.46Å; F281-P285 HydrophobicContact CD2-CB 4.29Å; F281-P285 HydrophobicContact CE2-CB 3.97Å; F281-P285 HydrophobicContact CZ-CB 4.16Å; F281-P285 WeakPolarHBondContact O-CG 3.42Å; F281-S289 WeakPolarHBondContact CD2-OG 3.39Å; F281-I313 HydrophobicContact CD1-CG1 4.19Å; F281-I313 HydrophobicContact CE1-CB 4.22Å; F281-I313 HydrophobicContact CE1-CG1 3.87Å; F281-I313 HydrophobicContact CE1-CG2 4.01Å; F281-I313 HydrophobicContact CE2-CG2 4.33Å; F281-I313 HydrophobicContact CZ-CB 4.43Å; F281-I313 HydrophobicContact CZ-CG2 3.85Å; F281-T316 HydrophobicContact CE1-CG2 4.26Å; F281-T316 HydrophobicContact CE2-CG2 4.38Å; F281-T316 HydrophobicContact CZ-CG2 3.58Å
282	E	90.6	Very high	92.9	Very high	132 Å²	132	39.3 Å²	39.3	62%	0.617	20%	0.204	S	C	*	.	H	α-helix	trans	-68.1	-40.6	171.4	-73	-177.2	147.3	0	0	112.1	G278 K279	G278-E282 WeakPolarHBondContact O-CG 3.35Å; G278-E282 PolarHBondContact O-N 2.69Å; K279-E282 WeakPolarHBondContact CE-OE2 3.44Å; K279-E282 IonicContact NZ-OE2 3.49Å; K279-E282 PolarHBondContact NZ-OE2 3.45Å; K279-E282 PolarHBondContact O-N 3.4Å
283	A	89.5	Confident	92.7	Very high	67 Å²	67	35.9 Å²	35.9	55%	0.554	19%	0.188	S	C	*	.	H	α-helix	trans	-72.2	-41.5	177.6	0	0	0	0	0	112.3	Y248 K279	Y248-A283 HydrophobicContact CE2-CB 4.44Å; K279-A283 WeakPolarHBondContact O-CB 3.28Å; K279-A283 PolarHBondContact O-N 2.88Å
284	E	90.5	Very high	92.6	Very high	108 Å²	108	36.2 Å²	36.2	51%	0.505	19%	0.19	S	C	.	.	S	Bend	trans	-152.1	111.8	176.4	-166.6	-178.9	171.6	0	0	110.8	A280 F281 T286	A280-E284 CarbonylContact O-C 3.59Å; A280-E284 PolarHBondContact O-N 3.15Å; F281-E284 CarbonylContact O-C 3.46Å; E284-T286 HydrophobicContact CB-CG2 4.44Å; E284-T286 HydrophobicContact CG-CG2 4.03Å; E284-T286 PolarHBondContact O-N 3.07Å
285	P	90.5	Very high	92.5	Very high	66 Å²	66	35.3 Å²	35.3	43%	0.429	18%	0.184	S	C	.	.			trans	-67.6	93.3	178.4	-23.1	34	0	0	0	112.5	F281 T316 L320	F281-P285 HydrophobicContact CD2-CB 4.29Å; F281-P285 HydrophobicContact CE2-CB 3.97Å; F281-P285 HydrophobicContact CZ-CB 4.16Å; F281-P285 WeakPolarHBondContact O-CG 3.42Å; P285-T316 HydrophobicContact CB-CG2 3.93Å; P285-L320 VanDerWaalsContact O-CD1 3.32Å; P285-L320 WeakPolarHBondContact O-CD1 3.35Å
286	T	90.8	Very high	92.5	Very high	32 Å²	32	29.6 Å²	29.6	20%	0.196	16%	0.161	C	C	.	.			trans	-108.3	160.7	174.2	77.7	0	0	0	0	111.3	E284 H288 S289 G290	E284-T286 HydrophobicContact CB-CG2 4.44Å; E284-T286 HydrophobicContact CG-CG2 4.03Å; E284-T286 PolarHBondContact O-N 3.07Å; T286-H288 VanDerWaalsContact C-N 3.27Å; T286-H288 PolarHBondContact O-N 3.39Å; T286-H288 PolarHBondContact OG1-N 3.13Å; T286-S289 PolarHBondContact O-OG 3.21Å; T286-S289 PolarHBondContact OG1-N 3.47Å; T286-S289 PolarHBondContact OG1-OG 3.15Å; T286-G290 PolarHBondContact O-N 3.02Å
287	F	90.1	Very high	92.3	Very high	20 Å²	20	29.3 Å²	29.3	9%	0.088	16%	0.161	C	C	.	.	H	α-helix	trans	-62.5	-35.7	169.9	-66.2	-78.8	0	0	0	112	I291 I317 L320 L321 K324 F338 A342	F287-I291 HydrophobicContact CB-CD1 4Å; F287-I291 VanDerWaalsContact O-CB 3.24Å; F287-I291 WeakPolarHBondContact O-CB 3.35Å; F287-I291 WeakPolarHBondContact O-CD1 3.34Å; F287-I291 WeakPolarHBondContact O-CG1 3.42Å; F287-I291 PolarHBondContact O-N 2.96Å; F287-I317 HydrophobicContact CD1-CG2 4.24Å; F287-I317 HydrophobicContact CE1-CG2 4.34Å; F287-L320 HydrophobicContact CD1-CB 4.47Å; F287-L320 HydrophobicContact CE1-CB 3.78Å; F287-L320 HydrophobicContact CE2-CB 3.98Å; F287-L320 VanDerWaalsContact CZ-C 3.43Å; F287-L320 HydrophobicContact CZ-CB 3.52Å; F287-L321 HydrophobicContact CE1-CB 4.23Å; F287-L321 HydrophobicContact CE1-CD1 4Å; F287-L321 HydrophobicContact CZ-CB 4.43Å; F287-L321 HydrophobicContact CZ-CD1 4.24Å; F287-K324 HydrophobicContact CE2-CG 3.89Å; F287-K324 HydrophobicContact CZ-CG 4.21Å; F287-F338 HydrophobicContact CB-CB 3.65Å; F287-F338 HydrophobicContact CB-CD1 3.95Å; F287-F338 HydrophobicContact CB-CD2 4.4Å; F287-F338 HydrophobicContact CB-CG 3.75Å; F287-F338 HydrophobicContact CD2-CB 4Å; F287-F338 HydrophobicContact CD2-CG 4.43Å; F287-F338 HydrophobicContact CG-CB 3.84Å; F287-F338 HydrophobicContact CG-CG 4.36Å; F287-A342 HydrophobicContact CD1-CB 4.43Å; F287-A342 HydrophobicContact CE1-CB 4.49Å
288	H	89.9	Confident	92.1	Very high	39 Å²	39	31 Å²	31	18%	0.181	17%	0.17	C	C	.	.	H	α-helix	trans	-66.2	-46.3	-175.5	-171.6	51.6	0	0	0	111.5	T286 N292 F338	T286-H288 VanDerWaalsContact C-N 3.27Å; T286-H288 PolarHBondContact O-N 3.39Å; T286-H288 PolarHBondContact OG1-N 3.13Å; H288-N292 PolarHBondContact O-ND2 3.43Å; H288-F338 HydrophobicContact CB-CE1 3.7Å; H288-F338 HydrophobicContact CB-CZ 4.01Å
289	S	92.9	Very high	91.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-67.9	-52.4	174.1	48.4	0	0	0	0	111.3	F281 T286 I291 N292 S293	F281-S289 WeakPolarHBondContact CD2-OG 3.39Å; T286-S289 PolarHBondContact O-OG 3.21Å; T286-S289 PolarHBondContact OG1-N 3.47Å; T286-S289 PolarHBondContact OG1-OG 3.15Å; S289-I291 PolarHBondContact O-N 2.92Å; S289-N292 PolarHBondContact O-N 3.08Å; S289-S293 PolarHBondContact O-N 3.01Å; S289-S293 PolarHBondContact O-OG 3.27Å
290	G	92.9	Very high	91.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-58.3	-44.5	-175.9	0	0	0	0	0	114.7	T286 S293 V294	T286-G290 PolarHBondContact O-N 3.02Å; G290-S293 PolarHBondContact O-N 3.08Å; G290-V294 WeakPolarHBondContact O-CG2 3.38Å; G290-V294 PolarHBondContact O-N 3.47Å
291	I	92.6	Very high	91.6	Very high	14 Å²	14	31.4 Å²	31.4	7%	0.072	19%	0.191	C	C	.	.	H	α-helix	trans	-67	-41	-179.5	-65.7	166.8	0	0	0	110.7	F287 S289 V295 I317 A342 L345 T375	F287-I291 HydrophobicContact CB-CD1 4Å; F287-I291 VanDerWaalsContact O-CB 3.24Å; F287-I291 WeakPolarHBondContact O-CB 3.35Å; F287-I291 WeakPolarHBondContact O-CD1 3.34Å; F287-I291 WeakPolarHBondContact O-CG1 3.42Å; F287-I291 PolarHBondContact O-N 2.96Å; S289-I291 PolarHBondContact O-N 2.92Å; I291-V295 WeakPolarHBondContact O-CG2 3.14Å; I291-V295 PolarHBondContact O-N 2.97Å; I291-I317 HydrophobicContact CG1-CD1 4.26Å; I291-A342 HydrophobicContact CD1-CB 4.32Å; I291-L345 HydrophobicContact CB-CD1 4.3Å; I291-L345 HydrophobicContact CG1-CD1 4.2Å; I291-L345 HydrophobicContact CG2-CD1 3.99Å; I291-T375 HydrophobicContact CG2-CG2 4.05Å
292	N	94	Very high	91.4	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.032	20%	0.203	C	C	.	.	H	α-helix	trans	-69.3	-40	176.9	-74.8	-79.5	0	0	0	111.7	K256 Y277 H288 S289 V295 L296 T375	K256-N292 PolarHBondContact NZ-OD1 3.37Å; Y277-N292 HydrophobicContact CD1-CB 3.79Å; Y277-N292 HydrophobicContact CD2-CB 3.74Å; Y277-N292 HydrophobicContact CE1-CB 3.73Å; Y277-N292 HydrophobicContact CE2-CB 3.68Å; Y277-N292 HydrophobicContact CG-CB 3.78Å; H288-N292 PolarHBondContact O-ND2 3.43Å; S289-N292 PolarHBondContact O-N 3.08Å; N292-V295 PolarHBondContact O-N 3.14Å; N292-L296 WeakPolarHBondContact O-CB 3.4Å; N292-L296 WeakPolarHBondContact O-CD1 3.33Å; N292-L296 WeakPolarHBondContact O-CG 3.49Å; N292-L296 PolarHBondContact O-N 3.43Å; N292-T375 PolarHBondContact OD1-OG1 3Å
293	S	94.1	Very high	91.1	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.014	19%	0.191	C	C	.	.	H	α-helix	trans	-58.1	-47.2	173.2	-68.4	0	0	0	0	112.4	Y277 G278 S289 G290 V295 L296 L297	Y277-S293 VanDerWaalsContact C-OG 3.24Å; Y277-S293 WeakPolarHBondContact CB-OG 3.37Å; Y277-S293 PolarHBondContact O-OG 3.36Å; G278-S293 PolarHBondContact N-OG 2.9Å; S289-S293 PolarHBondContact O-N 3.01Å; S289-S293 PolarHBondContact O-OG 3.27Å; G290-S293 PolarHBondContact O-N 3.08Å; S293-V295 PolarHBondContact O-N 2.93Å; S293-L296 PolarHBondContact O-N 3.22Å; S293-L297 WeakPolarHBondContact O-CB 3.39Å; S293-L297 VanDerWaalsContact O-CG 3.29Å; S293-L297 WeakPolarHBondContact O-CG 3.35Å; S293-L297 PolarHBondContact O-N 3.01Å
294	V	93.1	Very high	90.7	Very high	7 Å²	7	33.5 Å²	33.5	4%	0.042	19%	0.188	C	C	.	.	H	α-helix	trans	-59.5	-46.5	177.4	169.4	0	0	0	0	111.4	G290 L296 L297 M298 L310 I313 I317 L345	G290-V294 WeakPolarHBondContact O-CG2 3.38Å; G290-V294 PolarHBondContact O-N 3.47Å; V294-L296 PolarHBondContact O-N 3.16Å; V294-L297 PolarHBondContact O-N 2.91Å; V294-M298 HydrophobicContact CG1-SD 4.21Å; V294-M298 WeakPolarHBondContact O-CG 3.3Å; V294-M298 PolarHBondContact O-N 3.31Å; V294-L310 HydrophobicContact CG1-CD2 3.83Å; V294-L310 HydrophobicContact CG1-CG 4.18Å; V294-L310 HydrophobicContact CG2-CD2 4.3Å; V294-L310 HydrophobicContact CG2-CG 4.44Å; V294-I313 HydrophobicContact CG2-CB 4.11Å; V294-I313 HydrophobicContact CG2-CG2 3.62Å; V294-I317 HydrophobicContact CG2-CD1 4.26Å; V294-L345 HydrophobicContact CB-CD1 3.97Å; V294-L345 HydrophobicContact CG1-CD1 3.84Å; V294-L345 HydrophobicContact CG1-CD2 3.91Å; V294-L345 HydrophobicContact CG1-CG 4.47Å; V294-L345 HydrophobicContact CG2-CD1 4.49Å
295	V	93	Very high	90.1	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.012	19%	0.193	C	C	.	.	H	α-helix	trans	-67.2	-35.3	-178.9	171.9	0	0	0	0	112.3	I291 N292 S293 M298 A299 L345 T375 L378	I291-V295 WeakPolarHBondContact O-CG2 3.14Å; I291-V295 PolarHBondContact O-N 2.97Å; N292-V295 PolarHBondContact O-N 3.14Å; S293-V295 PolarHBondContact O-N 2.93Å; V295-M298 PolarHBondContact O-N 3.45Å; V295-A299 PolarHBondContact O-N 2.91Å; V295-L345 HydrophobicContact CG2-CD2 3.84Å; V295-T375 HydrophobicContact CB-CG2 4.16Å; V295-T375 HydrophobicContact CG1-CG2 4.3Å; V295-T375 HydrophobicContact CG2-CG2 3.88Å; V295-L378 HydrophobicContact CG1-CB 3.34Å; V295-L378 HydrophobicContact CG1-CD1 4.44Å; V295-L378 HydrophobicContact CG1-CG 4.48Å
296	L	93.9	Very high	89.7	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-74	-35.2	175.9	-73.1	163.3	0	0	0	112.6	K256 R270 A273 C274 Y277 N292 S293 V294 M298 A299 A300	K256-L296 HydrophobicContact CG-CD2 4.47Å; R270-L296 HydrophobicContact CG-CD2 4.14Å; A273-L296 HydrophobicContact CB-CD1 3.65Å; A273-L296 HydrophobicContact CB-CD2 4.13Å; C274-L296 HydrophobicContact CB-CB 4.15Å; Y277-L296 HydrophobicContact CD2-CD1 3.52Å; Y277-L296 HydrophobicContact CE2-CD1 3.99Å; N292-L296 WeakPolarHBondContact O-CB 3.4Å; N292-L296 WeakPolarHBondContact O-CD1 3.33Å; N292-L296 WeakPolarHBondContact O-CG 3.49Å; N292-L296 PolarHBondContact O-N 3.43Å; S293-L296 PolarHBondContact O-N 3.22Å; V294-L296 PolarHBondContact O-N 3.16Å; L296-M298 VanDerWaalsContact C-N 3.35Å; L296-A299 CarbonylContact O-C 3.5Å; L296-A299 PolarHBondContact O-N 3.12Å; L296-A300 PolarHBondContact O-N 3.47Å
297	L	92.5	Very high	89.7	Confident	7 Å²	7	34.9 Å²	34.9	4%	0.037	19%	0.194	C	C	.	.	H	α-helix	trans	-63.6	-39.5	169.7	-73.7	169.5	0	0	0	111.4	S293 V294 A300 G301 H302 E309 L310 I313	S293-L297 WeakPolarHBondContact O-CB 3.39Å; S293-L297 VanDerWaalsContact O-CG 3.29Å; S293-L297 WeakPolarHBondContact O-CG 3.35Å; S293-L297 PolarHBondContact O-N 3.01Å; V294-L297 PolarHBondContact O-N 2.91Å; L297-A300 CarbonylContact O-C 3.51Å; L297-A300 WeakPolarHBondContact O-CA 3.36Å; L297-A300 WeakPolarHBondContact O-CB 3.39Å; L297-A300 PolarHBondContact O-N 2.59Å; L297-G301 PolarHBondContact O-N 3.1Å; L297-H302 HydrophobicContact CB-CB 4.21Å; L297-H302 WeakPolarHBondContact O-CB 3.27Å; L297-H302 PolarHBondContact O-CD2 3.39Å; L297-H302 PolarHBondContact O-N 3.4Å; L297-E309 HydrophobicContact CD1-CG 4.23Å; L297-L310 HydrophobicContact CB-CD1 4.17Å; L297-L310 HydrophobicContact CD1-CB 4.43Å; L297-I313 HydrophobicContact CD1-CD1 3.91Å
298	M	90.6	Very high	89.5	Confident	37 Å²	37	40.3 Å²	40.3	18%	0.182	22%	0.222	C	C	.	.	H	α-helix	trans	-62.4	-41.5	171.1	-70.3	175.7	64	0	0	111.8	V294 V295 L296 A300 G301 L310 Y379 F382 A383	V294-M298 HydrophobicContact CG1-SD 4.21Å; V294-M298 WeakPolarHBondContact O-CG 3.3Å; V294-M298 PolarHBondContact O-N 3.31Å; V295-M298 PolarHBondContact O-N 3.45Å; L296-M298 VanDerWaalsContact C-N 3.35Å; M298-A300 PolarHBondContact O-N 3.22Å; M298-G301 PolarHBondContact O-N 2.93Å; M298-L310 HydrophobicContact CG-CD1 4.15Å; M298-Y379 HydrophobicContact CE-CD2 3.85Å; M298-Y379 HydrophobicContact CE-CE2 3.87Å; M298-Y379 HydrophobicContact SD-CD2 4.07Å; M298-Y379 HydrophobicContact SD-CE2 4.29Å; M298-F382 HydrophobicContact CB-CB 4.47Å; M298-A383 HydrophobicContact CE-CB 3.84Å
299	A	90.7	Very high	89.3	Confident	6 Å²	6	43.4 Å²	43.4	5%	0.05	24%	0.237	C	C	.	.	H	α-helix	trans	-67.3	-13.4	172.5	0	0	0	0	0	114	F259 R270 V295 L296 F382	F259-A299 HydrophobicContact CE1-CB 4.09Å; F259-A299 HydrophobicContact CZ-CB 4.37Å; R270-A299 VanDerWaalsContact CD-O 3.24Å; R270-A299 WeakPolarHBondContact CD-O 3.34Å; R270-A299 HydrophobicContact CG-CB 4.35Å; R270-A299 PolarHBondContact NH1-O 2.63Å; V295-A299 PolarHBondContact O-N 2.91Å; L296-A299 CarbonylContact O-C 3.5Å; L296-A299 PolarHBondContact O-N 3.12Å; A299-F382 HydrophobicContact CB-CD1 4.37Å; A299-F382 HydrophobicContact CB-CD2 3.5Å; A299-F382 HydrophobicContact CB-CE1 4.42Å; A299-F382 HydrophobicContact CB-CE2 3.59Å; A299-F382 HydrophobicContact CB-CG 3.94Å; A299-F382 HydrophobicContact CB-CZ 4.06Å
300	A	90.6	Very high	89.1	Confident	33 Å²	33	43.5 Å²	43.5	27%	0.273	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	1.7	169.5	0	0	0	0	0	113.6	L296 L297 M298	L296-A300 PolarHBondContact O-N 3.47Å; L297-A300 CarbonylContact O-C 3.51Å; L297-A300 WeakPolarHBondContact O-CA 3.36Å; L297-A300 WeakPolarHBondContact O-CB 3.39Å; L297-A300 PolarHBondContact O-N 2.59Å; M298-A300 PolarHBondContact O-N 3.22Å
301	G	87.4	Confident	88.8	Confident	61 Å²	61	48.3 Å²	48.3	63%	0.629	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	11.1	177	0	0	0	0	0	114.9	L297 M298	L297-G301 PolarHBondContact O-N 3.1Å; M298-G301 PolarHBondContact O-N 2.93Å
302	H	88.9	Confident	88.7	Confident	76 Å²	76	54.6 Å²	54.6	35%	0.352	28%	0.282	S	S	.	.			trans	-78.4	129.7	173.5	-65.7	-98	0	0	0	111	L297 L310	L297-H302 HydrophobicContact CB-CB 4.21Å; L297-H302 WeakPolarHBondContact O-CB 3.27Å; L297-H302 PolarHBondContact O-CD2 3.39Å; L297-H302 PolarHBondContact O-N 3.4Å; H302-L310 HydrophobicContact CB-CD1 4.06Å
303	E	84.6	Confident	88.6	Confident	77 Å²	77	54.7 Å²	54.7	36%	0.36	28%	0.283	S	S	.	.			trans	-98.8	157.3	174	-45.6	-160.3	145.9	0	0	110.8	E305 T306 S307 K384	E303-E305 VanDerWaalsContact C-N 3.27Å; E303-E305 PolarHBondContact O-N 3.12Å; E303-T306 PolarHBondContact N-OG1 3.01Å; E303-T306 PolarHBondContact O-N 3.4Å; E303-T306 PolarHBondContact O-OG1 3.33Å; E303-S307 WeakPolarHBondContact O-CB 3.49Å; E303-S307 PolarHBondContact O-N 3.36Å; E303-K384 WeakPolarHBondContact OE1-CE 3.47Å; E303-K384 IonicContact OE1-NZ 3.9Å; E303-K384 PolarHBondContact OE1-NZ 3.23Å; E303-K384 IonicContact OE2-NZ 3.48Å; E303-K384 PolarHBondContact OE2-NZ 3.33Å
304	F	80.6	Confident	88.4	Confident	110 Å²	110	55.1 Å²	55.1	48%	0.482	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-31.5	-178.9	-167	-79.4	0	0	0	111.2	L310 R311	F304-L310 HydrophobicContact CB-CD2 4.24Å; F304-L310 HydrophobicContact CD2-CD2 3.39Å; F304-L310 HydrophobicContact CE2-CD2 4.08Å; F304-L310 HydrophobicContact CG-CD2 4.15Å; F304-R311 HydrophobicContact CD1-CG 3.98Å; F304-R311 HydrophobicContact CE1-CG 3.81Å; F304-R311 HydrophobicContact CG-CG 4.5Å; F304-R311 HydrophobicContact CZ-CG 4.2Å; F304-R311 WeakPolarHBondContact O-CD 3.45Å; F304-R311 WeakPolarHBondContact O-CG 3.44Å; F304-R311 PolarHBondContact O-NE 3.1Å
305	E	78.5	Confident	88.2	Confident	131 Å²	131	59.2 Å²	59.2	61%	0.612	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-34.7	179.5	-60.8	76.1	-171.6	0	0	111.5	E303	E303-E305 VanDerWaalsContact C-N 3.27Å; E303-E305 PolarHBondContact O-N 3.12Å
306	T	82.4	Confident	88.1	Confident	91 Å²	91	61.1 Å²	61.1	56%	0.558	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-45.7	-173	59.2	0	0	0	0	112.9	E303 R311	E303-T306 PolarHBondContact N-OG1 3.01Å; E303-T306 PolarHBondContact O-N 3.4Å; E303-T306 PolarHBondContact O-OG1 3.33Å; T306-R311 PolarHBondContact O-NH2 3.19Å; T306-R311 VanDerWaalsContact O-NH2 3.17Å
307	S	90.2	Very high	88	Confident	12 Å²	12	61.5 Å²	61.5	8%	0.084	33%	0.326	C	S	.	.			trans	-75.8	129.1	-173.6	-177.6	0	0	0	0	112.9	E303 E309 L310 R311	E303-S307 WeakPolarHBondContact O-CB 3.49Å; E303-S307 PolarHBondContact O-N 3.36Å; S307-E309 PolarHBondContact OG-N 3.03Å; S307-L310 PolarHBondContact OG-N 3.27Å; S307-R311 WeakPolarHBondContact O-CG 3.29Å; S307-R311 PolarHBondContact O-N 3.47Å; S307-R311 PolarHBondContact O-NE 2.8Å
308	I	86.5	Confident	87.9	Confident	135 Å²	135	64.9 Å²	64.9	69%	0.692	35%	0.35	S	S	*	.	H	α-helix	trans	-73.9	-39.9	173.6	-62.2	173	0	0	0	110.2	R311 K312	I308-R311 PolarHBondContact O-N 3.36Å; I308-K312 PolarHBondContact O-N 3Å
309	E	86	Confident	87.9	Confident	103 Å²	103	66.5 Å²	66.5	48%	0.481	36%	0.362	S	S	.	.	H	α-helix	trans	-65.4	-46.4	-179.1	-178	175.7	-170.6	0	0	112	L297 S307 R311 K312 I313	L297-E309 HydrophobicContact CD1-CG 4.23Å; S307-E309 PolarHBondContact OG-N 3.03Å; E309-R311 VanDerWaalsContact C-N 3.29Å; E309-R311 PolarHBondContact O-N 2.77Å; E309-K312 WeakPolarHBondContact O-CB 3.49Å; E309-K312 PolarHBondContact O-N 2.86Å; E309-K312 VanDerWaalsContact O-N 3.12Å; E309-I313 HydrophobicContact CG-CD1 4.1Å; E309-I313 WeakPolarHBondContact O-CG1 3.44Å; E309-I313 PolarHBondContact O-N 2.97Å
310	L	88.2	Confident	87.8	Confident	2 Å²	2	67.7 Å²	67.7	1%	0.01	37%	0.367	C	S	.	.	H	α-helix	trans	-62.7	-39	179	-156.9	166.7	0	0	0	110.6	V294 L297 M298 H302 F304 S307 I313 G314	V294-L310 HydrophobicContact CG1-CD2 3.83Å; V294-L310 HydrophobicContact CG1-CG 4.18Å; V294-L310 HydrophobicContact CG2-CD2 4.3Å; V294-L310 HydrophobicContact CG2-CG 4.44Å; L297-L310 HydrophobicContact CB-CD1 4.17Å; L297-L310 HydrophobicContact CD1-CB 4.43Å; M298-L310 HydrophobicContact CG-CD1 4.15Å; H302-L310 HydrophobicContact CB-CD1 4.06Å; F304-L310 HydrophobicContact CB-CD2 4.24Å; F304-L310 HydrophobicContact CD2-CD2 3.39Å; F304-L310 HydrophobicContact CE2-CD2 4.08Å; F304-L310 HydrophobicContact CG-CD2 4.15Å; S307-L310 PolarHBondContact OG-N 3.27Å; L310-I313 PolarHBondContact O-N 3.15Å; L310-G314 PolarHBondContact O-N 3.03Å
311	R	87.5	Confident	87.7	Confident	101 Å²	101	67.8 Å²	67.8	38%	0.381	36%	0.363	S	S	.	.	H	α-helix	trans	-64.4	-43.3	171.3	-75.8	-179.5	-75.8	176.5	-7.7	113.1	F304 T306 S307 I308 E309 I313 G314 V315	F304-R311 HydrophobicContact CD1-CG 3.98Å; F304-R311 HydrophobicContact CE1-CG 3.81Å; F304-R311 HydrophobicContact CG-CG 4.5Å; F304-R311 HydrophobicContact CZ-CG 4.2Å; F304-R311 WeakPolarHBondContact O-CD 3.45Å; F304-R311 WeakPolarHBondContact O-CG 3.44Å; F304-R311 PolarHBondContact O-NE 3.1Å; T306-R311 PolarHBondContact O-NH2 3.19Å; T306-R311 VanDerWaalsContact O-NH2 3.17Å; S307-R311 WeakPolarHBondContact O-CG 3.29Å; S307-R311 PolarHBondContact O-N 3.47Å; S307-R311 PolarHBondContact O-NE 2.8Å; I308-R311 PolarHBondContact O-N 3.36Å; E309-R311 VanDerWaalsContact C-N 3.29Å; E309-R311 PolarHBondContact O-N 2.77Å; R311-I313 PolarHBondContact O-N 3.19Å; R311-G314 PolarHBondContact O-N 2.97Å; R311-V315 WeakPolarHBondContact O-CG2 3.48Å; R311-V315 PolarHBondContact O-N 2.92Å
312	K	89.7	Confident	87.6	Confident	146 Å²	146	67.7 Å²	67.7	64%	0.635	36%	0.362	S	S	*	.	H	α-helix	trans	-56.8	-49.5	175.3	-178.7	-171.5	174.7	-168.4	0	110.6	I308 E309 G314 V315 T316	I308-K312 PolarHBondContact O-N 3Å; E309-K312 WeakPolarHBondContact O-CB 3.49Å; E309-K312 PolarHBondContact O-N 2.86Å; E309-K312 VanDerWaalsContact O-N 3.12Å; K312-G314 PolarHBondContact O-N 2.78Å; K312-V315 PolarHBondContact O-N 2.81Å; K312-T316 PolarHBondContact O-N 3.34Å; K312-T316 VanDerWaalsContact O-N 3.13Å; K312-T316 PolarHBondContact O-OG1 3.05Å
313	I	91.3	Very high	87.5	Confident	8 Å²	8	73.6 Å²	73.6	4%	0.041	38%	0.382	C	S	.	.	H	α-helix	trans	-62.4	-44	177.4	-60.8	164.2	0	0	0	110.6	F281 V294 L297 E309 L310 R311 V315 T316 I317	F281-I313 HydrophobicContact CD1-CG1 4.19Å; F281-I313 HydrophobicContact CE1-CB 4.22Å; F281-I313 HydrophobicContact CE1-CG1 3.87Å; F281-I313 HydrophobicContact CE1-CG2 4.01Å; F281-I313 HydrophobicContact CE2-CG2 4.33Å; F281-I313 HydrophobicContact CZ-CB 4.43Å; F281-I313 HydrophobicContact CZ-CG2 3.85Å; V294-I313 HydrophobicContact CG2-CB 4.11Å; V294-I313 HydrophobicContact CG2-CG2 3.62Å; L297-I313 HydrophobicContact CD1-CD1 3.91Å; E309-I313 HydrophobicContact CG-CD1 4.1Å; E309-I313 WeakPolarHBondContact O-CG1 3.44Å; E309-I313 PolarHBondContact O-N 2.97Å; L310-I313 PolarHBondContact O-N 3.15Å; R311-I313 PolarHBondContact O-N 3.19Å; I313-V315 PolarHBondContact O-N 3.33Å; I313-T316 PolarHBondContact O-N 3.34Å; I313-I317 HydrophobicContact CG2-CD1 3.77Å; I313-I317 HydrophobicContact CG2-CG1 4.26Å; I313-I317 WeakPolarHBondContact O-CG1 3.38Å; I313-I317 PolarHBondContact O-N 3.29Å
314	G	89.6	Confident	87.5	Confident	11 Å²	11	74.4 Å²	74.4	11%	0.113	38%	0.384	C	S	.	.	H	α-helix	trans	-61.1	-40.9	178	0	0	0	0	0	114.4	L310 R311 K312 I317 S318	L310-G314 PolarHBondContact O-N 3.03Å; R311-G314 PolarHBondContact O-N 2.97Å; K312-G314 PolarHBondContact O-N 2.78Å; G314-I317 PolarHBondContact O-N 2.99Å; G314-S318 WeakPolarHBondContact O-CB 3.16Å; G314-S318 PolarHBondContact O-N 3.25Å; G314-S318 PolarHBondContact O-OG 3.4Å
315	V	89.9	Confident	87.8	Confident	93 Å²	93	71 Å²	71	56%	0.564	38%	0.379	S	S	*	.	H	α-helix	trans	-63.5	-45.9	173.9	170.4	0	0	0	0	110.5	R311 K312 I313 S318 T319	R311-V315 WeakPolarHBondContact O-CG2 3.48Å; R311-V315 PolarHBondContact O-N 2.92Å; K312-V315 PolarHBondContact O-N 2.81Å; I313-V315 PolarHBondContact O-N 3.33Å; V315-S318 WeakPolarHBondContact O-CB 3.31Å; V315-S318 PolarHBondContact O-N 2.66Å; V315-T319 PolarHBondContact O-N 3.11Å; V315-T319 PolarHBondContact O-OG1 3.42Å; V315-T319 VanDerWaalsContact O-OG1 3.1Å
316	T	91.6	Very high	88.3	Confident	42 Å²	42	66.9 Å²	66.9	26%	0.258	37%	0.365	S	S	.	.	H	α-helix	trans	-63.7	-43.2	177.3	-58.5	0	0	0	0	112.2	F281 P285 K312 I313 S318 T319 L320	F281-T316 HydrophobicContact CE1-CG2 4.26Å; F281-T316 HydrophobicContact CE2-CG2 4.38Å; F281-T316 HydrophobicContact CZ-CG2 3.58Å; P285-T316 HydrophobicContact CB-CG2 3.93Å; K312-T316 PolarHBondContact O-N 3.34Å; K312-T316 VanDerWaalsContact O-N 3.13Å; K312-T316 PolarHBondContact O-OG1 3.05Å; I313-T316 PolarHBondContact O-N 3.34Å; T316-S318 VanDerWaalsContact C-N 3.27Å; T316-S318 PolarHBondContact O-N 2.9Å; T316-T319 WeakPolarHBondContact O-CB 3.21Å; T316-T319 PolarHBondContact O-N 3.38Å; T316-T319 VanDerWaalsContact O-N 3.17Å; T316-L320 HydrophobicContact CG2-CD1 4.42Å; T316-L320 WeakPolarHBondContact O-CG 3.41Å; T316-L320 PolarHBondContact O-N 3.24Å
317	I	91.6	Very high	88.7	Confident	10 Å²	10	63.5 Å²	63.5	5%	0.051	34%	0.344	C	S	.	.	H	α-helix	trans	-57.7	-42	172.9	-71.3	170.4	0	0	0	110.7	F287 I291 V294 I313 G314 T319 L320 L321 A342	F287-I317 HydrophobicContact CD1-CG2 4.24Å; F287-I317 HydrophobicContact CE1-CG2 4.34Å; I291-I317 HydrophobicContact CG1-CD1 4.26Å; V294-I317 HydrophobicContact CG2-CD1 4.26Å; I313-I317 HydrophobicContact CG2-CD1 3.77Å; I313-I317 HydrophobicContact CG2-CG1 4.26Å; I313-I317 WeakPolarHBondContact O-CG1 3.38Å; I313-I317 PolarHBondContact O-N 3.29Å; G314-I317 PolarHBondContact O-N 2.99Å; I317-T319 PolarHBondContact O-N 3.41Å; I317-L320 PolarHBondContact O-N 2.94Å; I317-L321 WeakPolarHBondContact O-CB 3.33Å; I317-L321 PolarHBondContact O-N 2.91Å; I317-A342 HydrophobicContact CG2-CB 3.86Å
318	S	89.7	Confident	88.6	Confident	78 Å²	78	70.5 Å²	70.5	55%	0.545	38%	0.375	S	S	.	.	H	α-helix	trans	-64.5	-39	177.8	-56.7	0	0	0	0	112.1	G314 V315 T316 L321 G322	G314-S318 WeakPolarHBondContact O-CB 3.16Å; G314-S318 PolarHBondContact O-N 3.25Å; G314-S318 PolarHBondContact O-OG 3.4Å; V315-S318 WeakPolarHBondContact O-CB 3.31Å; V315-S318 PolarHBondContact O-N 2.66Å; T316-S318 VanDerWaalsContact C-N 3.27Å; T316-S318 PolarHBondContact O-N 2.9Å; S318-L321 PolarHBondContact O-N 3.41Å; S318-G322 PolarHBondContact O-N 2.85Å
319	T	90.4	Very high	88.7	Confident	71 Å²	71	72.2 Å²	72.2	44%	0.436	38%	0.378	S	S	.	.	H	α-helix	trans	-65.5	-42.1	173.2	-54	0	0	0	0	112.2	V315 T316 I317 L321 G322 R323	V315-T319 PolarHBondContact O-N 3.11Å; V315-T319 PolarHBondContact O-OG1 3.42Å; V315-T319 VanDerWaalsContact O-OG1 3.1Å; T316-T319 WeakPolarHBondContact O-CB 3.21Å; T316-T319 PolarHBondContact O-N 3.38Å; T316-T319 VanDerWaalsContact O-N 3.17Å; I317-T319 PolarHBondContact O-N 3.41Å; T319-L321 VanDerWaalsContact C-N 3.32Å; T319-L321 PolarHBondContact O-N 2.96Å; T319-G322 PolarHBondContact O-N 2.99Å; T319-R323 WeakPolarHBondContact O-CG 3.38Å; T319-R323 PolarHBondContact O-N 3.34Å; T319-R323 VanDerWaalsContact O-N 3.08Å
320	L	89	Confident	88.9	Confident	30 Å²	30	67.8 Å²	67.8	16%	0.157	36%	0.357	C	S	.	.	H	α-helix	trans	-62.7	-40	174.5	-67	171	0	0	0	111.4	P285 F287 T316 I317 R323 K324	P285-L320 VanDerWaalsContact O-CD1 3.32Å; P285-L320 WeakPolarHBondContact O-CD1 3.35Å; F287-L320 HydrophobicContact CD1-CB 4.47Å; F287-L320 HydrophobicContact CE1-CB 3.78Å; F287-L320 HydrophobicContact CE2-CB 3.98Å; F287-L320 VanDerWaalsContact CZ-C 3.43Å; F287-L320 HydrophobicContact CZ-CB 3.52Å; T316-L320 HydrophobicContact CG2-CD1 4.42Å; T316-L320 WeakPolarHBondContact O-CG 3.41Å; T316-L320 PolarHBondContact O-N 3.24Å; I317-L320 PolarHBondContact O-N 2.94Å; L320-R323 PolarHBondContact O-N 3.02Å; L320-K324 PolarHBondContact O-N 3.25Å; L320-K324 VanDerWaalsContact O-N 3.09Å
321	L	87.4	Confident	89	Confident	35 Å²	35	72.1 Å²	72.1	18%	0.183	38%	0.384	C	S	.	.	H	α-helix	trans	-63.4	-43.5	177.4	-159.4	71.5	0	0	0	111.3	F287 I317 S318 T319 R323 K324 G325 Y339 A342	F287-L321 HydrophobicContact CE1-CB 4.23Å; F287-L321 HydrophobicContact CE1-CD1 4Å; F287-L321 HydrophobicContact CZ-CB 4.43Å; F287-L321 HydrophobicContact CZ-CD1 4.24Å; I317-L321 WeakPolarHBondContact O-CB 3.33Å; I317-L321 PolarHBondContact O-N 2.91Å; S318-L321 PolarHBondContact O-N 3.41Å; T319-L321 VanDerWaalsContact C-N 3.32Å; T319-L321 PolarHBondContact O-N 2.96Å; L321-R323 VanDerWaalsContact C-N 3.34Å; L321-R323 PolarHBondContact O-N 3.18Å; L321-K324 PolarHBondContact O-N 3.44Å; L321-G325 PolarHBondContact O-N 3.34Å; L321-Y339 HydrophobicContact CD1-CD2 3.49Å; L321-Y339 VanDerWaalsContact CD1-CD2 3.49Å; L321-Y339 HydrophobicContact CD1-CE2 4.09Å; L321-Y339 HydrophobicContact CD1-CG 4.19Å; L321-Y339 HydrophobicContact CG-CD2 4.28Å; L321-Y339 HydrophobicContact CG-CE2 4.42Å; L321-A342 HydrophobicContact CD1-CB 4.09Å
322	G	85.4	Confident	89.1	Confident	59 Å²	59	70.8 Å²	70.8	61%	0.608	38%	0.382	S	S	*	.	H	α-helix	trans	-59	-41.2	172.8	0	0	0	0	0	113.1	S318 T319 K324 G325	S318-G322 PolarHBondContact O-N 2.85Å; T319-G322 PolarHBondContact O-N 2.99Å; G322-K324 PolarHBondContact O-N 2.82Å; G322-G325 PolarHBondContact O-N 2.99Å
323	R	87.8	Confident	89.3	Confident	201 Å²	201	66.2 Å²	66.2	76%	0.758	36%	0.361	S	S	*	.	H	α-helix	trans	-66.4	-31.3	176.7	-71.5	175.3	179.7	-176.3	-0.3	113.8	T319 L320 L321	T319-R323 WeakPolarHBondContact O-CG 3.38Å; T319-R323 PolarHBondContact O-N 3.34Å; T319-R323 VanDerWaalsContact O-N 3.08Å; L320-R323 PolarHBondContact O-N 3.02Å; L321-R323 VanDerWaalsContact C-N 3.34Å; L321-R323 PolarHBondContact O-N 3.18Å
324	K	84.3	Confident	89.3	Confident	93 Å²	93	70.7 Å²	70.7	40%	0.404	38%	0.377	S	S	.	.	H	α-helix	trans	-77.2	-19.1	176.9	-81.5	-75.1	-177.8	174.7	0	113.8	F287 L320 L321 G322 M330 D335	F287-K324 HydrophobicContact CE2-CG 3.89Å; F287-K324 HydrophobicContact CZ-CG 4.21Å; L320-K324 PolarHBondContact O-N 3.25Å; L320-K324 VanDerWaalsContact O-N 3.09Å; L321-K324 PolarHBondContact O-N 3.44Å; G322-K324 PolarHBondContact O-N 2.82Å; K324-M330 HydrophobicContact CB-CE 3.86Å; K324-D335 WeakPolarHBondContact CE-OD1 3.27Å; K324-D335 IonicContact NZ-OD1 3.59Å; K324-D335 PolarHBondContact NZ-OD1 3.46Å; K324-D335 IonicContact NZ-OD2 2.79Å; K324-D335 PolarHBondContact NZ-OD2 3.15Å
325	G	86.2	Confident	89.3	Confident	38 Å²	38	71.4 Å²	71.4	39%	0.392	38%	0.379	S	S	.	.			trans	78.8	-155.2	174.3	0	0	0	0	0	114.9	L321 G322 M330	L321-G325 PolarHBondContact O-N 3.34Å; G322-G325 PolarHBondContact O-N 2.99Å; G325-M330 WeakPolarHBondContact O-CE 3.48Å
326	S	88.9	Confident	89.5	Confident	45 Å²	45	67 Å²	67	32%	0.315	35%	0.352	S	S	.	.			trans	-77.4	142.6	-175.3	68.4	0	0	0	0	112.8	E328 K329	S326-E328 PolarHBondContact O-N 3.5Å; S326-E328 VanDerWaalsContact O-N 3.11Å; S326-E328 PolarHBondContact OG-OE2 3.24Å; S326-K329 PolarHBondContact O-N 3.39Å
327	L	90.8	Very high	89.6	Confident	20 Å²	20	65 Å²	65	11%	0.105	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-52.8	-33.4	178.8	175.3	63.3	0	0	0	112.8	K329 M330 V336 Y339 E354 A355 K358	L327-K329 VanDerWaalsContact C-N 3.29Å; L327-K329 PolarHBondContact O-N 3.31Å; L327-M330 HydrophobicContact CD1-SD 4.4Å; L327-M330 PolarHBondContact O-N 3.19Å; L327-V336 HydrophobicContact CD1-CG1 4.1Å; L327-V336 HydrophobicContact CD1-CG2 4.11Å; L327-Y339 HydrophobicContact CB-CE1 4.01Å; L327-Y339 HydrophobicContact CB-CE2 4.36Å; L327-Y339 HydrophobicContact CD1-CD1 3.9Å; L327-Y339 HydrophobicContact CD1-CE1 4.11Å; L327-Y339 HydrophobicContact CD1-CG 4.33Å; L327-Y339 HydrophobicContact CD2-CE1 4.01Å; L327-Y339 HydrophobicContact CG-CE1 4.26Å; L327-E354 HydrophobicContact CD2-CB 3.69Å; L327-A355 HydrophobicContact CD1-CB 4.16Å; L327-A355 HydrophobicContact CD2-CB 4.07Å; L327-K358 HydrophobicContact CD1-CD 4.09Å; L327-K358 HydrophobicContact CG-CD 4.2Å; L327-K358 PolarHBondContact O-NZ 2.89Å
328	E	88.6	Confident	89.5	Confident	160 Å²	160	66.7 Å²	66.7	75%	0.748	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-54.8	-43.1	177.5	-62.8	153.9	159.2	0	0	112	S326 M330 K358	S326-E328 PolarHBondContact O-N 3.5Å; S326-E328 VanDerWaalsContact O-N 3.11Å; S326-E328 PolarHBondContact OG-OE2 3.24Å; E328-M330 VanDerWaalsContact C-N 3.35Å; E328-M330 PolarHBondContact O-N 3.39Å; E328-K358 PolarHBondContact O-NZ 3.03Å
329	K	88.1	Confident	89.6	Confident	171 Å²	171	64 Å²	64	74%	0.743	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-77.5	-15.6	-175.7	-64	-177.2	180	-175.7	0	114.1	S326 L327 T331	S326-K329 PolarHBondContact O-N 3.39Å; L327-K329 VanDerWaalsContact C-N 3.29Å; L327-K329 PolarHBondContact O-N 3.31Å; K329-T331 PolarHBondContact O-N 3.04Å
330	M	91.2	Very high	89.8	Confident	9 Å²	9	60.6 Å²	60.6	4%	0.044	30%	0.304	C	S	.	.			trans	-76.4	111	-177.9	-57	-178.4	-171.6	0	0	110.3	K324 G325 L327 E328 D335 V336 Y339 K358	K324-M330 HydrophobicContact CB-CE 3.86Å; G325-M330 WeakPolarHBondContact O-CE 3.48Å; L327-M330 HydrophobicContact CD1-SD 4.4Å; L327-M330 PolarHBondContact O-N 3.19Å; E328-M330 VanDerWaalsContact C-N 3.35Å; E328-M330 PolarHBondContact O-N 3.39Å; M330-D335 HydrophobicContact CB-CB 4.32Å; M330-D335 HydrophobicContact CG-CB 4.48Å; M330-D335 HydrophobicContact SD-CB 4.32Å; M330-V336 HydrophobicContact CB-CG2 3.88Å; M330-Y339 HydrophobicContact CE-CD2 3.62Å; M330-Y339 HydrophobicContact CE-CE2 4.17Å; M330-Y339 HydrophobicContact CE-CG 4.37Å; M330-Y339 HydrophobicContact SD-CD2 4.09Å; M330-Y339 HydrophobicContact SD-CG 4.25Å; M330-K358 WeakPolarHBondContact O-CE 3.44Å; M330-K358 PolarHBondContact O-NZ 2.94Å
331	T	88.9	Confident	89.9	Confident	94 Å²	94	59.6 Å²	59.6	58%	0.577	30%	0.301	S	S	*	.			trans	-82.7	-38.2	175.7	46.8	0	0	0	0	112.1	K329 L362	K329-T331 PolarHBondContact O-N 3.04Å; T331-L362 WeakPolarHBondContact O-CD1 3.44Å; T331-L362 WeakPolarHBondContact O-CD2 3.42Å
332	E	91.4	Very high	90	Very high	73 Å²	73	58.2 Å²	58.2	34%	0.341	30%	0.295	S	S	.	.	S	Bend	trans	-81.2	136.9	-168.3	-50.9	-46.7	119.2	0	0	113.3	W334 D335 V336	E332-W334 HydrophobicContact CB-CD2 3.84Å; E332-W334 VanDerWaalsContact CB-CE2 3.44Å; E332-W334 HydrophobicContact CB-CE3 4.35Å; E332-W334 HydrophobicContact CB-CG 4.28Å; E332-W334 HydrophobicContact CB-CH2 4.16Å; E332-W334 HydrophobicContact CB-CZ2 3.65Å; E332-W334 HydrophobicContact CB-CZ3 4.49Å; E332-W334 HydrophobicContact CG-CH2 4.13Å; E332-W334 HydrophobicContact CG-CZ2 3.54Å; E332-W334 PolarHBondContact O-N 3.13Å; E332-W334 WeakPolarHBondContact OE2-CH2 3.45Å; E332-D335 PolarHBondContact O-N 3.36Å; E332-V336 PolarHBondContact O-N 3.45Å
333	Y	93.2	Very high	90.3	Very high	49 Å²	49	55.5 Å²	55.5	19%	0.192	27%	0.266	C	S	.	.	H	α-helix	trans	-62.2	-28.6	-178.6	68.8	-100.9	0	0	0	112.8	G337 L359 A364 P365 Y368	Y333-G337 PolarHBondContact O-N 3.45Å; Y333-L359 VanDerWaalsContact O-CD1 3.22Å; Y333-L359 WeakPolarHBondContact O-CD1 3.49Å; Y333-A364 HydrophobicContact CD2-CB 4.37Å; Y333-A364 HydrophobicContact CG-CB 4.32Å; Y333-P365 HydrophobicContact CE1-CG 4.04Å; Y333-P365 HydrophobicContact CE2-CG 4.21Å; Y333-Y368 AromaticContact CD2-CD1 3.54Å; Y333-Y368 HydrophobicContact CD2-CD1 3.54Å; Y333-Y368 AromaticContact CD2-CE1 3.86Å; Y333-Y368 HydrophobicContact CD2-CE1 3.86Å; Y333-Y368 AromaticContact CD2-CG 4Å; Y333-Y368 HydrophobicContact CD2-CG 4Å; Y333-Y368 AromaticContact CE2-CD1 3.75Å; Y333-Y368 HydrophobicContact CE2-CD1 3.75Å; Y333-Y368 HydrophobicContact CE2-CD2 4.16Å; Y333-Y368 HydrophobicContact CE2-CE1 4.3Å; Y333-Y368 AromaticContact CE2-CG 3.68Å; Y333-Y368 HydrophobicContact CE2-CG 3.68Å
334	W	90.6	Very high	90.5	Very high	103 Å²	103	46.7 Å²	46.7	39%	0.39	23%	0.234	S	C	.	.	H	α-helix	trans	-73.3	-38.4	177.6	54.3	79.1	0	0	0	112.7	E332 G337 F338 Y368	E332-W334 HydrophobicContact CB-CD2 3.84Å; E332-W334 VanDerWaalsContact CB-CE2 3.44Å; E332-W334 HydrophobicContact CB-CE3 4.35Å; E332-W334 HydrophobicContact CB-CG 4.28Å; E332-W334 HydrophobicContact CB-CH2 4.16Å; E332-W334 HydrophobicContact CB-CZ2 3.65Å; E332-W334 HydrophobicContact CB-CZ3 4.49Å; E332-W334 HydrophobicContact CG-CH2 4.13Å; E332-W334 HydrophobicContact CG-CZ2 3.54Å; E332-W334 PolarHBondContact O-N 3.13Å; E332-W334 WeakPolarHBondContact OE2-CH2 3.45Å; W334-G337 PolarHBondContact O-N 3.23Å; W334-F338 HydrophobicContact CB-CD2 4.49Å; W334-F338 HydrophobicContact CB-CE2 4.05Å; W334-F338 WeakPolarHBondContact O-CB 3.41Å; W334-F338 WeakPolarHBondContact O-CD2 3.09Å; W334-F338 VanDerWaalsContact O-CG 3.24Å; W334-F338 WeakPolarHBondContact O-CG 3.36Å; W334-F338 PolarHBondContact O-N 2.9Å; W334-Y368 WeakPolarHBondContact CA-OH 3.46Å; W334-Y368 HydrophobicContact CB-CE2 4.17Å; W334-Y368 PolarHBondContact O-OH 2.93Å; W334-Y368 VanDerWaalsContact O-OH 3.06Å
335	D	90.7	Very high	90.6	Very high	26 Å²	26	44 Å²	44	14%	0.139	22%	0.224	C	C	.	.	H	α-helix	trans	-65.8	-42.9	175.9	-83.5	-7.9	0	0	0	111	K324 M330 E332 G337 F338 Y339	K324-D335 WeakPolarHBondContact CE-OD1 3.27Å; K324-D335 IonicContact NZ-OD1 3.59Å; K324-D335 PolarHBondContact NZ-OD1 3.46Å; K324-D335 IonicContact NZ-OD2 2.79Å; K324-D335 PolarHBondContact NZ-OD2 3.15Å; M330-D335 HydrophobicContact CB-CB 4.32Å; M330-D335 HydrophobicContact CG-CB 4.48Å; M330-D335 HydrophobicContact SD-CB 4.32Å; E332-D335 PolarHBondContact O-N 3.36Å; D335-G337 VanDerWaalsContact C-N 3.33Å; D335-G337 PolarHBondContact O-N 2.7Å; D335-F338 PolarHBondContact O-N 3.31Å; D335-Y339 VanDerWaalsContact O-CB 3.28Å; D335-Y339 WeakPolarHBondContact O-CB 3.31Å; D335-Y339 PolarHBondContact O-N 2.85Å
336	V	94.3	Very high	90.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.4	-39.1	173.4	177.2	0	0	0	0	111.3	L327 M330 E332 Y339 L340 A355 K358 L359 L362	L327-V336 HydrophobicContact CD1-CG1 4.1Å; L327-V336 HydrophobicContact CD1-CG2 4.11Å; M330-V336 HydrophobicContact CB-CG2 3.88Å; E332-V336 PolarHBondContact O-N 3.45Å; V336-Y339 PolarHBondContact O-N 3.37Å; V336-L340 WeakPolarHBondContact O-CB 3.18Å; V336-L340 PolarHBondContact O-N 2.63Å; V336-A355 HydrophobicContact CG1-CB 4.37Å; V336-A355 WeakPolarHBondContact CG1-O 3.45Å; V336-K358 HydrophobicContact CG1-CB 4.12Å; V336-K358 HydrophobicContact CG1-CG 4.31Å; V336-K358 HydrophobicContact CG2-CD 4.11Å; V336-K358 HydrophobicContact CG2-CG 4.22Å; V336-L359 HydrophobicContact CB-CD1 4.31Å; V336-L359 HydrophobicContact CG1-CB 4Å; V336-L359 HydrophobicContact CG1-CD1 4.18Å; V336-L362 HydrophobicContact CB-CD1 4.34Å; V336-L362 HydrophobicContact CG2-CD1 3.81Å
337	G	92.4	Very high	90.5	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-66.8	-40	176.8	0	0	0	0	0	114.1	Y333 W334 D335 L340 G341 I372	Y333-G337 PolarHBondContact O-N 3.45Å; W334-G337 PolarHBondContact O-N 3.23Å; D335-G337 VanDerWaalsContact C-N 3.33Å; D335-G337 PolarHBondContact O-N 2.7Å; G337-L340 WeakPolarHBondContact O-CB 3.34Å; G337-L340 PolarHBondContact O-N 3.06Å; G337-G341 PolarHBondContact O-N 3.4Å; G337-I372 VanDerWaalsContact CA-CD1 3.45Å
338	F	89.6	Confident	90.5	Very high	44 Å²	44	51.5 Å²	51.5	19%	0.193	25%	0.252	C	S	.	.	H	α-helix	trans	-69.7	-40	173.4	-65	-41.8	0	0	0	112.1	F287 H288 W334 D335 L340 G341 A342 Y368	F287-F338 HydrophobicContact CB-CB 3.65Å; F287-F338 HydrophobicContact CB-CD1 3.95Å; F287-F338 HydrophobicContact CB-CD2 4.4Å; F287-F338 HydrophobicContact CB-CG 3.75Å; F287-F338 HydrophobicContact CD2-CB 4Å; F287-F338 HydrophobicContact CD2-CG 4.43Å; F287-F338 HydrophobicContact CG-CB 3.84Å; F287-F338 HydrophobicContact CG-CG 4.36Å; H288-F338 HydrophobicContact CB-CE1 3.7Å; H288-F338 HydrophobicContact CB-CZ 4.01Å; W334-F338 HydrophobicContact CB-CD2 4.49Å; W334-F338 HydrophobicContact CB-CE2 4.05Å; W334-F338 WeakPolarHBondContact O-CB 3.41Å; W334-F338 WeakPolarHBondContact O-CD2 3.09Å; W334-F338 VanDerWaalsContact O-CG 3.24Å; W334-F338 WeakPolarHBondContact O-CG 3.36Å; W334-F338 PolarHBondContact O-N 2.9Å; D335-F338 PolarHBondContact O-N 3.31Å; F338-L340 VanDerWaalsContact C-N 3.34Å; F338-L340 PolarHBondContact O-N 2.73Å; F338-G341 PolarHBondContact O-N 2.81Å; F338-A342 WeakPolarHBondContact O-CB 3.24Å; F338-A342 PolarHBondContact O-N 2.92Å; F338-Y368 HydrophobicContact CZ-CE2 4.49Å
339	Y	92.1	Very high	90.5	Very high	22 Å²	22	47 Å²	47	9%	0.086	23%	0.23	C	C	.	.	H	α-helix	trans	-59.8	-43.6	172	-177.8	-83.4	0	0	0	111.3	L321 L327 M330 D335 V336 A342 N343 K351 A355	L321-Y339 HydrophobicContact CD1-CD2 3.49Å; L321-Y339 VanDerWaalsContact CD1-CD2 3.49Å; L321-Y339 HydrophobicContact CD1-CE2 4.09Å; L321-Y339 HydrophobicContact CD1-CG 4.19Å; L321-Y339 HydrophobicContact CG-CD2 4.28Å; L321-Y339 HydrophobicContact CG-CE2 4.42Å; L327-Y339 HydrophobicContact CB-CE1 4.01Å; L327-Y339 HydrophobicContact CB-CE2 4.36Å; L327-Y339 HydrophobicContact CD1-CD1 3.9Å; L327-Y339 HydrophobicContact CD1-CE1 4.11Å; L327-Y339 HydrophobicContact CD1-CG 4.33Å; L327-Y339 HydrophobicContact CD2-CE1 4.01Å; L327-Y339 HydrophobicContact CG-CE1 4.26Å; M330-Y339 HydrophobicContact CE-CD2 3.62Å; M330-Y339 HydrophobicContact CE-CE2 4.17Å; M330-Y339 HydrophobicContact CE-CG 4.37Å; M330-Y339 HydrophobicContact SD-CD2 4.09Å; M330-Y339 HydrophobicContact SD-CG 4.25Å; D335-Y339 VanDerWaalsContact O-CB 3.28Å; D335-Y339 WeakPolarHBondContact O-CB 3.31Å; D335-Y339 PolarHBondContact O-N 2.85Å; V336-Y339 PolarHBondContact O-N 3.37Å; Y339-A342 PolarHBondContact O-N 2.93Å; Y339-N343 WeakPolarHBondContact CD1-ND2 3.34Å; Y339-N343 VanDerWaalsContact CE1-ND2 3.31Å; Y339-N343 WeakPolarHBondContact CE1-ND2 3.4Å; Y339-N343 WeakPolarHBondContact O-CB 3.4Å; Y339-N343 PolarHBondContact O-N 3.17Å; Y339-N343 PolarHBondContact O-ND2 3Å; Y339-K351 HydrophobicContact CE1-CB 3.98Å; Y339-A355 HydrophobicContact CD1-CB 3.77Å; Y339-A355 HydrophobicContact CE1-CB 4.18Å
340	L	94	Very high	90.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.7	-53	174	175	59.8	0	0	0	111.2	V336 G337 F338 A342 N343 I344 V352 A355 S356 L359 M400 L403	V336-L340 WeakPolarHBondContact O-CB 3.18Å; V336-L340 PolarHBondContact O-N 2.63Å; G337-L340 WeakPolarHBondContact O-CB 3.34Å; G337-L340 PolarHBondContact O-N 3.06Å; F338-L340 VanDerWaalsContact C-N 3.34Å; F338-L340 PolarHBondContact O-N 2.73Å; L340-A342 PolarHBondContact O-N 2.96Å; L340-N343 PolarHBondContact O-N 3.36Å; L340-I344 HydrophobicContact CD1-CD1 3.96Å; L340-I344 HydrophobicContact CD1-CG1 4.25Å; L340-I344 HydrophobicContact CG-CD1 3.96Å; L340-I344 WeakPolarHBondContact O-CG1 3.24Å; L340-I344 PolarHBondContact O-N 3.42Å; L340-V352 HydrophobicContact CD1-CB 4.31Å; L340-V352 HydrophobicContact CD1-CG1 3.82Å; L340-V352 WeakPolarHBondContact CD1-O 3.24Å; L340-A355 HydrophobicContact CB-CB 3.99Å; L340-A355 HydrophobicContact CD1-CB 4.21Å; L340-S356 WeakPolarHBondContact CD1-OG 3.44Å; L340-L359 HydrophobicContact CD2-CD2 3.84Å; L340-M400 HydrophobicContact CD1-CE 4.1Å; L340-M400 HydrophobicContact CD2-CE 4.41Å; L340-L403 HydrophobicContact CD2-CD1 4.06Å
341	G	91.4	Very high	90.7	Very high	9 Å²	9	49.5 Å²	49.5	9%	0.093	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-41.3	179.6	0	0	0	0	0	113.8	G337 F338 I344 L345	G337-G341 PolarHBondContact O-N 3.4Å; F338-G341 PolarHBondContact O-N 2.81Å; G341-I344 PolarHBondContact O-N 2.94Å; G341-L345 PolarHBondContact O-N 2.99Å
342	A	91.1	Very high	90.9	Very high	6 Å²	6	45.1 Å²	45.1	5%	0.05	21%	0.21	C	C	.	.	H	α-helix	trans	-64.8	-40.8	176.4	0	0	0	0	0	112.4	F287 I291 I317 L321 F338 Y339 L340 L345 A346	F287-A342 HydrophobicContact CD1-CB 4.43Å; F287-A342 HydrophobicContact CE1-CB 4.49Å; I291-A342 HydrophobicContact CD1-CB 4.32Å; I317-A342 HydrophobicContact CG2-CB 3.86Å; L321-A342 HydrophobicContact CD1-CB 4.09Å; F338-A342 WeakPolarHBondContact O-CB 3.24Å; F338-A342 PolarHBondContact O-N 2.92Å; Y339-A342 PolarHBondContact O-N 2.93Å; L340-A342 PolarHBondContact O-N 2.96Å; A342-L345 PolarHBondContact O-N 3.28Å; A342-A346 PolarHBondContact O-N 3.45Å
343	N	91.4	Very high	90.9	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.011	20%	0.201	C	C	.	.	H	α-helix	trans	-76.7	-23.7	179.4	-73.6	-78.7	0	0	0	113.4	Y339 L340 A346 K347 E348 K351 V352	Y339-N343 WeakPolarHBondContact CD1-ND2 3.34Å; Y339-N343 VanDerWaalsContact CE1-ND2 3.31Å; Y339-N343 WeakPolarHBondContact CE1-ND2 3.4Å; Y339-N343 WeakPolarHBondContact O-CB 3.4Å; Y339-N343 PolarHBondContact O-N 3.17Å; Y339-N343 PolarHBondContact O-ND2 3Å; L340-N343 PolarHBondContact O-N 3.36Å; N343-A346 CarbonylContact O-C 3.45Å; N343-A346 PolarHBondContact O-N 2.98Å; N343-K347 PolarHBondContact O-N 2.9Å; N343-K347 VanDerWaalsContact O-N 3.07Å; N343-E348 HydrophobicContact CB-CB 4.08Å; N343-E348 PolarHBondContact O-N 2.94Å; N343-K351 HydrophobicContact CB-CB 4Å; N343-K351 WeakPolarHBondContact OD1-CD 3.34Å; N343-V352 HydrophobicContact CB-CG2 3.94Å
344	I	90.6	Very high	90.9	Very high	15 Å²	15	43.9 Å²	43.9	8%	0.077	21%	0.206	C	C	.	.	H	α-helix	trans	-61.8	-48.9	167.1	-73.5	167	0	0	0	110	L340 G341 A346 K347 V352 Y376 Y379 M400	L340-I344 HydrophobicContact CD1-CD1 3.96Å; L340-I344 HydrophobicContact CD1-CG1 4.25Å; L340-I344 HydrophobicContact CG-CD1 3.96Å; L340-I344 WeakPolarHBondContact O-CG1 3.24Å; L340-I344 PolarHBondContact O-N 3.42Å; G341-I344 PolarHBondContact O-N 2.94Å; I344-A346 VanDerWaalsContact C-N 3.33Å; I344-A346 PolarHBondContact O-N 3.3Å; I344-K347 PolarHBondContact O-N 3.41Å; I344-K347 VanDerWaalsContact O-N 3.09Å; I344-V352 HydrophobicContact CG1-CG1 4Å; I344-V352 HydrophobicContact CG1-CG2 3.86Å; I344-Y376 HydrophobicContact CD1-CD2 4.19Å; I344-Y376 HydrophobicContact CG2-CD2 4.14Å; I344-Y379 HydrophobicContact CG2-CD1 3.61Å; I344-Y379 HydrophobicContact CG2-CE1 3.69Å; I344-Y379 HydrophobicContact CG2-CG 4.2Å; I344-M400 HydrophobicContact CD1-CE 4.39Å; I344-M400 HydrophobicContact CD1-SD 3.79Å
345	L	88.1	Confident	91.1	Very high	36 Å²	36	39 Å²	39	19%	0.188	19%	0.188	C	C	.	.	H	α-helix	trans	-62.3	-39	176.3	-67.7	179.1	0	0	0	112.3	I291 V294 V295 G341 A342 K347 Y379	I291-L345 HydrophobicContact CB-CD1 4.3Å; I291-L345 HydrophobicContact CG1-CD1 4.2Å; I291-L345 HydrophobicContact CG2-CD1 3.99Å; V294-L345 HydrophobicContact CB-CD1 3.97Å; V294-L345 HydrophobicContact CG1-CD1 3.84Å; V294-L345 HydrophobicContact CG1-CD2 3.91Å; V294-L345 HydrophobicContact CG1-CG 4.47Å; V294-L345 HydrophobicContact CG2-CD1 4.49Å; V295-L345 HydrophobicContact CG2-CD2 3.84Å; G341-L345 PolarHBondContact O-N 2.99Å; A342-L345 PolarHBondContact O-N 3.28Å; L345-K347 PolarHBondContact O-N 3.45Å; L345-Y379 HydrophobicContact CD2-CD2 3.69Å; L345-Y379 HydrophobicContact CD2-CE2 4.01Å
346	A	86.7	Confident	91.3	Very high	66 Å²	66	37.7 Å²	37.7	55%	0.545	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-3.3	175.8	0	0	0	0	0	114.3	A342 N343 I344 E348	A342-A346 PolarHBondContact O-N 3.45Å; N343-A346 CarbonylContact O-C 3.45Å; N343-A346 PolarHBondContact O-N 2.98Å; I344-A346 VanDerWaalsContact C-N 3.33Å; I344-A346 PolarHBondContact O-N 3.3Å; A346-E348 HydrophobicContact CB-CB 4.44Å; A346-E348 HydrophobicContact CB-CG 4.09Å; A346-E348 PolarHBondContact O-N 3.33Å
347	K	86.4	Confident	91.3	Very high	119 Å²	119	39.8 Å²	39.8	52%	0.517	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	28.1	-176.6	-56.7	176	-176	174.4	0	113.9	N343 I344 L345 F349 Y379	N343-K347 PolarHBondContact O-N 2.9Å; N343-K347 VanDerWaalsContact O-N 3.07Å; I344-K347 PolarHBondContact O-N 3.41Å; I344-K347 VanDerWaalsContact O-N 3.09Å; L345-K347 PolarHBondContact O-N 3.45Å; K347-F349 VanDerWaalsContact C-N 3.35Å; K347-F349 PolarHBondContact O-N 3.45Å; K347-Y379 WeakPolarHBondContact CE-OH 3.46Å
348	E	89.1	Confident	91.4	Very high	76 Å²	76	41.8 Å²	41.8	36%	0.355	20%	0.199	S	C	.	.			trans	-84.5	69.4	-174.5	-88.3	-83.2	-146.2	0	0	112	N343 A346 R350 K351 V352	N343-E348 HydrophobicContact CB-CB 4.08Å; N343-E348 PolarHBondContact O-N 2.94Å; A346-E348 HydrophobicContact CB-CB 4.44Å; A346-E348 HydrophobicContact CB-CG 4.09Å; A346-E348 PolarHBondContact O-N 3.33Å; E348-R350 PolarHBondContact O-N 3.47Å; E348-K351 HydrophobicContact CB-CB 4.29Å; E348-K351 HydrophobicContact CB-CD 4.05Å; E348-K351 HydrophobicContact CB-CG 4.49Å; E348-K351 HydrophobicContact CG-CD 4.26Å; E348-K351 PolarHBondContact O-N 2.98Å; E348-K351 IonicContact OE1-NZ 3.37Å; E348-K351 PolarHBondContact OE1-NZ 2.89Å; E348-K351 IonicContact OE2-NZ 2.89Å; E348-V352 WeakPolarHBondContact O-CG2 3.23Å; E348-V352 PolarHBondContact O-N 3.03Å
349	F	89.9	Confident	91.6	Very high	65 Å²	65	39.8 Å²	39.8	29%	0.285	19%	0.19	S	C	.	.	H	α-helix	trans	-47.8	-38.1	-169.2	-55.9	-42.7	0	0	0	115.1	K347 V352 I353 K392 V396	K347-F349 VanDerWaalsContact C-N 3.35Å; K347-F349 PolarHBondContact O-N 3.45Å; F349-V352 PolarHBondContact O-N 3.49Å; F349-I353 WeakPolarHBondContact O-CD1 3.36Å; F349-I353 VanDerWaalsContact O-CG1 3.29Å; F349-I353 WeakPolarHBondContact O-CG1 3.28Å; F349-I353 PolarHBondContact O-N 3.38Å; F349-K392 HydrophobicContact CB-CB 4.29Å; F349-K392 HydrophobicContact CD2-CB 4.38Å; F349-V396 HydrophobicContact CB-CG2 3.89Å; F349-V396 HydrophobicContact CD1-CG2 4.01Å; F349-V396 HydrophobicContact CG-CG2 4.3Å
350	R	90.3	Very high	91.7	Very high	167 Å²	167	39 Å²	39	63%	0.63	19%	0.187	S	C	*	.	H	α-helix	trans	-62.3	-51.4	178	178.8	-179.8	171.8	-178.9	-3.5	111.2	E348 V352 I353 E354	E348-R350 PolarHBondContact O-N 3.47Å; R350-V352 VanDerWaalsContact C-N 3.29Å; R350-V352 PolarHBondContact O-N 2.67Å; R350-I353 PolarHBondContact O-N 3.46Å; R350-E354 IonicContact CZ-OE1 3.66Å; R350-E354 IonicContact NE-OE1 2.84Å; R350-E354 PolarHBondContact NE-OE1 3.32Å; R350-E354 IonicContact NE-OE2 3.87Å; R350-E354 IonicContact NH2-OE1 3.97Å; R350-E354 PolarHBondContact NH2-OE1 3.24Å; R350-E354 WeakPolarHBondContact O-CG 3.49Å; R350-E354 PolarHBondContact O-N 3.29Å
351	K	91.8	Very high	91.5	Very high	66 Å²	66	44.8 Å²	44.8	29%	0.287	21%	0.209	S	C	.	.	H	α-helix	trans	-66.9	-32.8	-178.7	-63.1	171.9	-174.1	155.8	0	111.3	Y339 N343 E348 A355	Y339-K351 HydrophobicContact CE1-CB 3.98Å; N343-K351 HydrophobicContact CB-CB 4Å; N343-K351 WeakPolarHBondContact OD1-CD 3.34Å; E348-K351 HydrophobicContact CB-CB 4.29Å; E348-K351 HydrophobicContact CB-CD 4.05Å; E348-K351 HydrophobicContact CB-CG 4.49Å; E348-K351 HydrophobicContact CG-CD 4.26Å; E348-K351 PolarHBondContact O-N 2.98Å; E348-K351 IonicContact OE1-NZ 3.37Å; E348-K351 PolarHBondContact OE1-NZ 2.89Å; E348-K351 IonicContact OE2-NZ 2.89Å; K351-A355 WeakPolarHBondContact O-CB 3.49Å; K351-A355 PolarHBondContact O-N 3.37Å
352	V	93.1	Very high	91.5	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.018	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-44.9	172.9	173.9	0	0	0	0	111.5	L340 N343 I344 E348 F349 R350 S356 V396 M400	L340-V352 HydrophobicContact CD1-CB 4.31Å; L340-V352 HydrophobicContact CD1-CG1 3.82Å; L340-V352 WeakPolarHBondContact CD1-O 3.24Å; N343-V352 HydrophobicContact CB-CG2 3.94Å; I344-V352 HydrophobicContact CG1-CG1 4Å; I344-V352 HydrophobicContact CG1-CG2 3.86Å; E348-V352 WeakPolarHBondContact O-CG2 3.23Å; E348-V352 PolarHBondContact O-N 3.03Å; F349-V352 PolarHBondContact O-N 3.49Å; R350-V352 VanDerWaalsContact C-N 3.29Å; R350-V352 PolarHBondContact O-N 2.67Å; V352-S356 VanDerWaalsContact O-CB 3.31Å; V352-S356 WeakPolarHBondContact O-CB 3.05Å; V352-S356 PolarHBondContact O-N 2.78Å; V352-S356 PolarHBondContact O-OG 3.23Å; V352-V396 HydrophobicContact CB-CG2 4.35Å; V352-V396 HydrophobicContact CG1-CG1 3.96Å; V352-V396 HydrophobicContact CG1-CG2 4.08Å; V352-M400 HydrophobicContact CG1-CE 4.16Å
353	I	92.8	Very high	91.5	Very high	30 Å²	30	52.4 Å²	52.4	15%	0.154	24%	0.241	C	C	.	.	H	α-helix	trans	-62.9	-53.7	175.9	-70.4	162.9	0	0	0	110.6	F349 R350 A355 S356 E357 M395 V396	F349-I353 WeakPolarHBondContact O-CD1 3.36Å; F349-I353 VanDerWaalsContact O-CG1 3.29Å; F349-I353 WeakPolarHBondContact O-CG1 3.28Å; F349-I353 PolarHBondContact O-N 3.38Å; R350-I353 PolarHBondContact O-N 3.46Å; I353-A355 VanDerWaalsContact C-N 3.31Å; I353-A355 PolarHBondContact O-N 3.31Å; I353-S356 PolarHBondContact O-N 2.85Å; I353-E357 PolarHBondContact O-N 3.02Å; I353-M395 HydrophobicContact CD1-CB 3.71Å; I353-M395 HydrophobicContact CG1-CB 4.32Å; I353-V396 HydrophobicContact CD1-CG2 4.1Å; I353-V396 HydrophobicContact CG1-CG2 3.84Å
354	E	93	Very high	91.4	Very high	65 Å²	65	52.7 Å²	52.7	30%	0.304	24%	0.244	S	C	.	.	H	α-helix	trans	-59.5	-40.2	-178.1	-68.5	167.5	159	0	0	112	L327 R350 K358	L327-E354 HydrophobicContact CD2-CB 3.69Å; R350-E354 IonicContact CZ-OE1 3.66Å; R350-E354 IonicContact NE-OE1 2.84Å; R350-E354 PolarHBondContact NE-OE1 3.32Å; R350-E354 IonicContact NE-OE2 3.87Å; R350-E354 IonicContact NH2-OE1 3.97Å; R350-E354 PolarHBondContact NH2-OE1 3.24Å; R350-E354 WeakPolarHBondContact O-CG 3.49Å; R350-E354 PolarHBondContact O-N 3.29Å; E354-K358 WeakPolarHBondContact O-CB 3.24Å; E354-K358 PolarHBondContact O-N 2.87Å; E354-K358 VanDerWaalsContact O-N 3.07Å
355	A	94.9	Very high	91.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-73.1	-35.7	177.4	0	0	0	0	0	113	L327 V336 Y339 L340 K351 I353 K358 L359	L327-A355 HydrophobicContact CD1-CB 4.16Å; L327-A355 HydrophobicContact CD2-CB 4.07Å; V336-A355 HydrophobicContact CG1-CB 4.37Å; V336-A355 WeakPolarHBondContact CG1-O 3.45Å; Y339-A355 HydrophobicContact CD1-CB 3.77Å; Y339-A355 HydrophobicContact CE1-CB 4.18Å; L340-A355 HydrophobicContact CB-CB 3.99Å; L340-A355 HydrophobicContact CD1-CB 4.21Å; K351-A355 WeakPolarHBondContact O-CB 3.49Å; K351-A355 PolarHBondContact O-N 3.37Å; I353-A355 VanDerWaalsContact C-N 3.31Å; I353-A355 PolarHBondContact O-N 3.31Å; A355-K358 PolarHBondContact O-N 3.47Å; A355-L359 VanDerWaalsContact O-CB 3.28Å; A355-L359 WeakPolarHBondContact O-CB 3.46Å; A355-L359 PolarHBondContact O-N 3.28Å
356	S	95.3	Very high	91.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.6	-43.4	175.7	-59.5	0	0	0	0	111.5	L340 V352 I353 L359 Y360 M400	L340-S356 WeakPolarHBondContact CD1-OG 3.44Å; V352-S356 VanDerWaalsContact O-CB 3.31Å; V352-S356 WeakPolarHBondContact O-CB 3.05Å; V352-S356 PolarHBondContact O-N 2.78Å; V352-S356 PolarHBondContact O-OG 3.23Å; I353-S356 PolarHBondContact O-N 2.85Å; S356-L359 PolarHBondContact O-N 3.25Å; S356-Y360 PolarHBondContact O-N 2.95Å; S356-M400 VanDerWaalsContact OG-CE 3.22Å; S356-M400 WeakPolarHBondContact OG-CE 3.41Å
357	E	93.8	Very high	91.5	Very high	43 Å²	43	52.3 Å²	52.3	20%	0.201	23%	0.234	C	C	.	.	H	α-helix	trans	-62.9	-45.7	174.6	-169.5	-171.7	154.9	0	0	111.3	I353 L359 Y360 R361 W399 Y427	I353-E357 PolarHBondContact O-N 3.02Å; E357-L359 VanDerWaalsContact C-N 3.32Å; E357-L359 PolarHBondContact O-N 3.5Å; E357-Y360 PolarHBondContact O-N 2.95Å; E357-R361 WeakPolarHBondContact O-CG 3.29Å; E357-R361 PolarHBondContact O-N 2.9Å; E357-R361 IonicContact OE1-CZ 3.71Å; E357-R361 IonicContact OE1-NE 3.73Å; E357-R361 PolarHBondContact OE1-NE 2.97Å; E357-R361 IonicContact OE1-NH2 2.77Å; E357-R361 PolarHBondContact OE1-NH2 2.91Å; E357-W399 VanDerWaalsContact CA-CH2 3.46Å; E357-W399 HydrophobicContact CB-CH2 3.64Å; E357-W399 HydrophobicContact CB-CZ2 3.61Å; E357-W399 HydrophobicContact CB-CZ3 4.36Å; E357-W399 HydrophobicContact CG-CH2 3.71Å; E357-W399 HydrophobicContact CG-CZ2 3.83Å; E357-Y427 HydrophobicContact CG-CD2 4.34Å
358	K	94.1	Very high	91.7	Very high	44 Å²	44	47.4 Å²	47.4	19%	0.191	21%	0.213	C	C	.	.	H	α-helix	trans	-63.1	-38.6	178.1	-170.4	164.7	-178.8	176.2	0	112.2	L327 E328 M330 V336 E354 A355 Y360 R361 L362	L327-K358 HydrophobicContact CD1-CD 4.09Å; L327-K358 HydrophobicContact CG-CD 4.2Å; L327-K358 PolarHBondContact O-NZ 2.89Å; E328-K358 PolarHBondContact O-NZ 3.03Å; M330-K358 WeakPolarHBondContact O-CE 3.44Å; M330-K358 PolarHBondContact O-NZ 2.94Å; V336-K358 HydrophobicContact CG1-CB 4.12Å; V336-K358 HydrophobicContact CG1-CG 4.31Å; V336-K358 HydrophobicContact CG2-CD 4.11Å; V336-K358 HydrophobicContact CG2-CG 4.22Å; E354-K358 WeakPolarHBondContact O-CB 3.24Å; E354-K358 PolarHBondContact O-N 2.87Å; E354-K358 VanDerWaalsContact O-N 3.07Å; A355-K358 PolarHBondContact O-N 3.47Å; K358-Y360 PolarHBondContact O-N 3.06Å; K358-R361 PolarHBondContact O-N 3.18Å; K358-L362 HydrophobicContact CG-CD1 4.13Å; K358-L362 HydrophobicContact CG-CG 4.44Å; K358-L362 WeakPolarHBondContact O-CB 3.48Å; K358-L362 VanDerWaalsContact O-CG 3.28Å; K358-L362 WeakPolarHBondContact O-CG 3.44Å; K358-L362 PolarHBondContact O-N 3.16Å
359	L	94.4	Very high	91.8	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-65.7	-36.8	176.4	-164	64.6	0	0	0	112.2	Y333 V336 L340 A355 S356 E357 A364 L369 I372	Y333-L359 VanDerWaalsContact O-CD1 3.22Å; Y333-L359 WeakPolarHBondContact O-CD1 3.49Å; V336-L359 HydrophobicContact CB-CD1 4.31Å; V336-L359 HydrophobicContact CG1-CB 4Å; V336-L359 HydrophobicContact CG1-CD1 4.18Å; L340-L359 HydrophobicContact CD2-CD2 3.84Å; A355-L359 VanDerWaalsContact O-CB 3.28Å; A355-L359 WeakPolarHBondContact O-CB 3.46Å; A355-L359 PolarHBondContact O-N 3.28Å; S356-L359 PolarHBondContact O-N 3.25Å; E357-L359 VanDerWaalsContact C-N 3.32Å; E357-L359 PolarHBondContact O-N 3.5Å; L359-A364 HydrophobicContact CD1-CB 3.63Å; L359-A364 HydrophobicContact CG-CB 3.86Å; L359-A364 PolarHBondContact O-N 3.41Å; L359-L369 HydrophobicContact CD2-CD2 3.53Å; L359-L369 HydrophobicContact CG-CD2 3.88Å; L359-I372 HydrophobicContact CD2-CD1 4.32Å
360	Y	92.9	Very high	91.8	Very high	5 Å²	5	41.8 Å²	41.8	2%	0.02	19%	0.189	C	C	.	.	H	α-helix	trans	-68.8	-39.9	172.9	-177.3	-88.7	0	0	0	112.7	S356 E357 K358 K363 W399 L402 L419 R476 C492 F493	S356-Y360 PolarHBondContact O-N 2.95Å; E357-Y360 PolarHBondContact O-N 2.95Å; K358-Y360 PolarHBondContact O-N 3.06Å; Y360-K363 PolarHBondContact O-N 2.98Å; Y360-W399 HydrophobicContact CG-CZ3 4.43Å; Y360-L402 HydrophobicContact CD2-CD2 3.94Å; Y360-L402 HydrophobicContact CE2-CD2 4.25Å; Y360-L419 HydrophobicContact CD1-CD1 3.64Å; Y360-L419 HydrophobicContact CE1-CD1 3.63Å; Y360-L419 HydrophobicContact CE2-CD1 4.48Å; Y360-L419 HydrophobicContact CG-CD1 4.11Å; Y360-R476 PolarHBondContact O-NH1 3.29Å; Y360-R476 PolarHBondContact O-NH2 3.28Å; Y360-C492 HydrophobicContact CE1-CB 4.48Å; Y360-C492 WeakPolarHBondContact OH-CB 3.38Å; Y360-F493 WeakPolarHBondContact CE2-O 3.45Å; Y360-F493 PolarHBondContact OH-O 3.03Å
361	R	91.3	Very high	91.8	Very high	123 Å²	123	34.2 Å²	34.2	46%	0.464	16%	0.162	S	C	.	.	H	α-helix	trans	-62.8	-38.9	174	-74.9	174.4	179.3	-103.5	5.1	112	E357 K358 K363 Y427	E357-R361 WeakPolarHBondContact O-CG 3.29Å; E357-R361 PolarHBondContact O-N 2.9Å; E357-R361 IonicContact OE1-CZ 3.71Å; E357-R361 IonicContact OE1-NE 3.73Å; E357-R361 PolarHBondContact OE1-NE 2.97Å; E357-R361 IonicContact OE1-NH2 2.77Å; E357-R361 PolarHBondContact OE1-NH2 2.91Å; K358-R361 PolarHBondContact O-N 3.18Å; R361-K363 PolarHBondContact O-N 3.4Å; R361-Y427 HydrophobicContact CG-CD2 4.45Å; R361-Y427 HydrophobicContact CG-CE2 3.85Å
362	L	91.6	Very high	91.8	Very high	64 Å²	64	32 Å²	32	34%	0.335	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	3.2	178.1	-71.3	172.8	0	0	0	114.7	T331 V336 K358 A364	T331-L362 WeakPolarHBondContact O-CD1 3.44Å; T331-L362 WeakPolarHBondContact O-CD2 3.42Å; V336-L362 HydrophobicContact CB-CD1 4.34Å; V336-L362 HydrophobicContact CG2-CD1 3.81Å; K358-L362 HydrophobicContact CG-CD1 4.13Å; K358-L362 HydrophobicContact CG-CG 4.44Å; K358-L362 WeakPolarHBondContact O-CB 3.48Å; K358-L362 VanDerWaalsContact O-CG 3.28Å; K358-L362 WeakPolarHBondContact O-CG 3.44Å; K358-L362 PolarHBondContact O-N 3.16Å; L362-A364 VanDerWaalsContact C-N 3.26Å; L362-A364 PolarHBondContact O-N 2.66Å
363	K	89.8	Confident	91.8	Very high	110 Å²	110	32 Å²	32	48%	0.478	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	45	-177.5	-57.5	-160.9	-175.5	-163.6	0	113.2	Y360 R361 D474	Y360-K363 PolarHBondContact O-N 2.98Å; R361-K363 PolarHBondContact O-N 3.4Å; K363-D474 WeakPolarHBondContact CE-OD1 3.49Å; K363-D474 WeakPolarHBondContact CE-OD2 3.4Å; K363-D474 IonicContact NZ-OD1 3.78Å; K363-D474 PolarHBondContact NZ-OD1 2.88Å; K363-D474 IonicContact NZ-OD2 2.81Å
364	A	90.6	Very high	91.7	Very high	8 Å²	8	32 Å²	32	7%	0.066	15%	0.152	C	C	.	.			trans	-54.1	135	-174	0	0	0	0	0	113.1	Y333 L359 L362 L369	Y333-A364 HydrophobicContact CD2-CB 4.37Å; Y333-A364 HydrophobicContact CG-CB 4.32Å; L359-A364 HydrophobicContact CD1-CB 3.63Å; L359-A364 HydrophobicContact CG-CB 3.86Å; L359-A364 PolarHBondContact O-N 3.41Å; L362-A364 VanDerWaalsContact C-N 3.26Å; L362-A364 PolarHBondContact O-N 2.66Å; A364-L369 HydrophobicContact CB-CD1 4.41Å; A364-L369 HydrophobicContact CB-CD2 3.89Å; A364-L369 HydrophobicContact CB-CG 4.03Å; A364-L369 WeakPolarHBondContact O-CD1 3.37Å
365	P	89.3	Confident	91.6	Very high	32 Å²	32	29.3 Å²	29.3	21%	0.208	14%	0.141	C	C	.	.			trans	-59.2	140.2	-175.7	-27.2	35.4	0	0	0	114.3	Y333 W367 Y368 L369	Y333-P365 HydrophobicContact CE1-CG 4.04Å; Y333-P365 HydrophobicContact CE2-CG 4.21Å; P365-W367 VanDerWaalsContact C-N 3.29Å; P365-W367 HydrophobicContact CB-CG 4.46Å; P365-W367 PolarHBondContact O-N 2.84Å; P365-Y368 WeakPolarHBondContact O-CA 3.48Å; P365-Y368 WeakPolarHBondContact O-CB 3.27Å; P365-Y368 PolarHBondContact O-N 3.47Å; P365-L369 PolarHBondContact O-N 2.84Å
366	V	88.9	Confident	91.5	Very high	49 Å²	49	30.2 Å²	30.2	30%	0.297	14%	0.144	S	C	.	.	H	α-helix	trans	-60.7	-35.6	-174.7	-172.2	0	0	0	0	112.5	Y368 L369 A370	V366-Y368 PolarHBondContact O-N 3.22Å; V366-L369 PolarHBondContact O-N 3.34Å; V366-A370 VanDerWaalsContact O-CB 3.3Å; V366-A370 WeakPolarHBondContact O-CB 3.45Å; V366-A370 PolarHBondContact O-N 3.37Å
367	W	88.5	Confident	91.3	Very high	28 Å²	28	33.2 Å²	33.2	11%	0.106	16%	0.16	C	C	.	.	H	α-helix	trans	-63.9	-28.6	175.9	69.5	-102.2	0	0	0	113.1	R180 D181 Q183 F215 P365	R180-W367 HydrophobicContact CG-CD2 4.34Å; R180-W367 HydrophobicContact CG-CG 4.07Å; R180-W367 VanDerWaalsContact CZ-CE2 3.5Å; R180-W367 VanDerWaalsContact NH2-CZ2 3.34Å; D181-W367 PolarHBondContact OD1-NE1 3.35Å; Q183-W367 HydrophobicContact CG-CB 4.48Å; F215-W367 HydrophobicContact CZ-CE3 4.18Å; P365-W367 VanDerWaalsContact C-N 3.29Å; P365-W367 HydrophobicContact CB-CG 4.46Å; P365-W367 PolarHBondContact O-N 2.84Å
368	Y	91.1	Very high	91.2	Very high	17 Å²	17	31.2 Å²	31.2	7%	0.067	15%	0.15	C	C	.	.	H	α-helix	trans	-84.7	-45.6	177.2	-179.2	-100	0	0	0	111.1	Y333 W334 F338 P365 V366 A370 S371 I372	Y333-Y368 AromaticContact CD2-CD1 3.54Å; Y333-Y368 HydrophobicContact CD2-CD1 3.54Å; Y333-Y368 AromaticContact CD2-CE1 3.86Å; Y333-Y368 HydrophobicContact CD2-CE1 3.86Å; Y333-Y368 AromaticContact CD2-CG 4Å; Y333-Y368 HydrophobicContact CD2-CG 4Å; Y333-Y368 AromaticContact CE2-CD1 3.75Å; Y333-Y368 HydrophobicContact CE2-CD1 3.75Å; Y333-Y368 HydrophobicContact CE2-CD2 4.16Å; Y333-Y368 HydrophobicContact CE2-CE1 4.3Å; Y333-Y368 AromaticContact CE2-CG 3.68Å; Y333-Y368 HydrophobicContact CE2-CG 3.68Å; W334-Y368 WeakPolarHBondContact CA-OH 3.46Å; W334-Y368 HydrophobicContact CB-CE2 4.17Å; W334-Y368 PolarHBondContact O-OH 2.93Å; W334-Y368 VanDerWaalsContact O-OH 3.06Å; F338-Y368 HydrophobicContact CZ-CE2 4.49Å; P365-Y368 WeakPolarHBondContact O-CA 3.48Å; P365-Y368 WeakPolarHBondContact O-CB 3.27Å; P365-Y368 PolarHBondContact O-N 3.47Å; V366-Y368 PolarHBondContact O-N 3.22Å; Y368-A370 VanDerWaalsContact C-N 3.32Å; Y368-A370 PolarHBondContact O-N 3.16Å; Y368-S371 WeakPolarHBondContact O-CA 3.44Å; Y368-S371 VanDerWaalsContact O-CB 3.25Å; Y368-S371 WeakPolarHBondContact O-CB 3.27Å; Y368-S371 PolarHBondContact O-N 3.43Å; Y368-I372 HydrophobicContact CD1-CD1 4.13Å; Y368-I372 HydrophobicContact CE1-CD1 3.42Å; Y368-I372 VanDerWaalsContact CE1-CD1 3.42Å; Y368-I372 HydrophobicContact CE1-CG1 4.22Å; Y368-I372 PolarHBondContact O-N 3.4Å
369	L	91.4	Very high	91	Very high	12 Å²	12	30.5 Å²	30.5	6%	0.063	15%	0.147	C	C	.	.	H	α-helix	trans	-54.4	-47.1	173.8	-72.6	-179.8	0	0	0	111.7	L359 A364 P365 V366 S371 I372 M373 L403	L359-L369 HydrophobicContact CD2-CD2 3.53Å; L359-L369 HydrophobicContact CG-CD2 3.88Å; A364-L369 HydrophobicContact CB-CD1 4.41Å; A364-L369 HydrophobicContact CB-CD2 3.89Å; A364-L369 HydrophobicContact CB-CG 4.03Å; A364-L369 WeakPolarHBondContact O-CD1 3.37Å; P365-L369 PolarHBondContact O-N 2.84Å; V366-L369 PolarHBondContact O-N 3.34Å; L369-S371 PolarHBondContact O-N 3.27Å; L369-I372 PolarHBondContact O-N 3.25Å; L369-M373 WeakPolarHBondContact O-CB 3.38Å; L369-M373 WeakPolarHBondContact O-CG 3.45Å; L369-M373 PolarHBondContact O-N 3.27Å; L369-L403 HydrophobicContact CD2-CD2 4.17Å
370	A	90.2	Very high	90.8	Very high	10 Å²	10	37.8 Å²	37.8	8%	0.083	17%	0.174	C	C	.	.	H	α-helix	trans	-55.7	-38.6	176.1	0	0	0	0	0	111.9	V366 Y368 I372 M373 E374 C407	V366-A370 VanDerWaalsContact O-CB 3.3Å; V366-A370 WeakPolarHBondContact O-CB 3.45Å; V366-A370 PolarHBondContact O-N 3.37Å; Y368-A370 VanDerWaalsContact C-N 3.32Å; Y368-A370 PolarHBondContact O-N 3.16Å; A370-I372 PolarHBondContact O-N 2.87Å; A370-M373 PolarHBondContact O-N 3.47Å; A370-E374 VanDerWaalsContact O-CB 3.31Å; A370-E374 WeakPolarHBondContact O-CB 3.42Å; A370-E374 WeakPolarHBondContact O-CG 3.45Å; A370-E374 PolarHBondContact O-N 2.98Å; A370-C407 HydrophobicContact CB-CB 4.38Å; A370-C407 PolarHBondContact N-SG 2.65Å; A370-C407 VanDerWaalsContact N-SG 3.42Å
371	S	89.8	Confident	90.6	Very high	9 Å²	9	42.9 Å²	42.9	6%	0.063	20%	0.198	C	C	.	.	H	α-helix	trans	-65.6	-33	178.2	-165.1	0	0	0	0	114.2	R253 Y368 L369 T375	R253-S371 PolarHBondContact NH1-OG 3.47Å; R253-S371 VanDerWaalsContact NH1-OG 3.08Å; R253-S371 PolarHBondContact NH2-OG 2.82Å; Y368-S371 WeakPolarHBondContact O-CA 3.44Å; Y368-S371 VanDerWaalsContact O-CB 3.25Å; Y368-S371 WeakPolarHBondContact O-CB 3.27Å; Y368-S371 PolarHBondContact O-N 3.43Å; L369-S371 PolarHBondContact O-N 3.27Å; S371-T375 PolarHBondContact O-OG1 3.26Å
372	I	91.6	Very high	90.5	Very high	19 Å²	19	40.5 Å²	40.5	10%	0.097	19%	0.191	C	C	.	.	H	α-helix	trans	-77.9	-45.9	175.1	-59.8	176.4	0	0	0	109.3	G337 L359 Y368 L369 A370 E374 T375 Y376	G337-I372 VanDerWaalsContact CA-CD1 3.45Å; L359-I372 HydrophobicContact CD2-CD1 4.32Å; Y368-I372 HydrophobicContact CD1-CD1 4.13Å; Y368-I372 HydrophobicContact CE1-CD1 3.42Å; Y368-I372 VanDerWaalsContact CE1-CD1 3.42Å; Y368-I372 HydrophobicContact CE1-CG1 4.22Å; Y368-I372 PolarHBondContact O-N 3.4Å; L369-I372 PolarHBondContact O-N 3.25Å; A370-I372 PolarHBondContact O-N 2.87Å; I372-E374 VanDerWaalsContact C-N 3.3Å; I372-E374 PolarHBondContact O-N 3.26Å; I372-T375 CarbonylContact O-C 3.5Å; I372-T375 PolarHBondContact O-N 2.88Å; I372-Y376 PolarHBondContact O-N 3.25Å
373	M	92.4	Very high	90.2	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.02	18%	0.184	C	C	.	.	H	α-helix	trans	-62.7	-35.6	-178.7	-69	-58.2	102.8	0	0	112.3	L369 A370 T375 Y376 I377 M400 L403 L404	L369-M373 WeakPolarHBondContact O-CB 3.38Å; L369-M373 WeakPolarHBondContact O-CG 3.45Å; L369-M373 PolarHBondContact O-N 3.27Å; A370-M373 PolarHBondContact O-N 3.47Å; M373-T375 VanDerWaalsContact C-N 3.35Å; M373-T375 PolarHBondContact O-N 3.35Å; M373-Y376 PolarHBondContact O-N 3.47Å; M373-I377 VanDerWaalsContact O-CG1 3.25Å; M373-I377 WeakPolarHBondContact O-CG1 3.44Å; M373-I377 PolarHBondContact O-N 3.45Å; M373-M400 HydrophobicContact CE-SD 4.25Å; M373-L403 HydrophobicContact CE-CB 3.92Å; M373-L403 HydrophobicContact CE-CD1 3.98Å; M373-L403 HydrophobicContact CG-CB 4.26Å; M373-L403 HydrophobicContact SD-CB 3.55Å; M373-L403 VanDerWaalsContact SD-CB 3.55Å; M373-L404 HydrophobicContact CB-CD2 3.86Å; M373-L404 HydrophobicContact CB-CG 4.49Å; M373-L404 HydrophobicContact CG-CD2 4.28Å; M373-L404 HydrophobicContact CG-CG 4.41Å; M373-L404 HydrophobicContact SD-CD2 4.3Å; M373-L404 HydrophobicContact SD-CG 3.91Å
374	E	90.8	Very high	89.6	Confident	28 Å²	28	39.5 Å²	39.5	13%	0.131	19%	0.188	C	C	.	.	H	α-helix	trans	-57.9	-44.9	170.3	-79.3	157.1	-171.3	0	0	112.6	R219 R253 K256 M260 A370 I372 I377 L378	R219-E374 IonicContact CZ-OE1 2.77Å; R219-E374 IonicContact NH1-OE1 3.92Å; R219-E374 PolarHBondContact NH1-OE1 3.13Å; R219-E374 IonicContact NH1-OE2 3.6Å; R219-E374 PolarHBondContact NH1-OE2 3.35Å; R219-E374 IonicContact NH2-OE1 3.68Å; R219-E374 PolarHBondContact NH2-OE1 3.4Å; R253-E374 IonicContact CZ-OE2 3.28Å; R253-E374 IonicContact NE-OE2 2.78Å; R253-E374 IonicContact NH2-OE1 2.63Å; R253-E374 IonicContact NH2-OE2 3.4Å; R253-E374 PolarHBondContact NH2-OE2 3.33Å; K256-E374 IonicContact NZ-OE2 3.67Å; M260-E374 HydrophobicContact CE-CB 4.06Å; M260-E374 HydrophobicContact CE-CG 4.22Å; M260-E374 WeakPolarHBondContact CE-O 3.49Å; M260-E374 HydrophobicContact SD-CB 3.86Å; M260-E374 HydrophobicContact SD-CG 4.21Å; A370-E374 VanDerWaalsContact O-CB 3.31Å; A370-E374 WeakPolarHBondContact O-CB 3.42Å; A370-E374 WeakPolarHBondContact O-CG 3.45Å; A370-E374 PolarHBondContact O-N 2.98Å; I372-E374 VanDerWaalsContact C-N 3.3Å; I372-E374 PolarHBondContact O-N 3.26Å; E374-I377 PolarHBondContact O-N 3.31Å; E374-L378 PolarHBondContact O-N 2.97Å; E374-L378 VanDerWaalsContact O-N 3.13Å
375	T	91.3	Very high	88.6	Confident	10 Å²	10	44.4 Å²	44.4	6%	0.061	22%	0.219	C	C	.	.	H	α-helix	trans	-74.7	-29.4	178.9	-59.2	0	0	0	0	111.8	K256 I291 N292 V295 S371 I372 M373 Y379	K256-T375 PolarHBondContact NZ-OG1 2.86Å; I291-T375 HydrophobicContact CG2-CG2 4.05Å; N292-T375 PolarHBondContact OD1-OG1 3Å; V295-T375 HydrophobicContact CB-CG2 4.16Å; V295-T375 HydrophobicContact CG1-CG2 4.3Å; V295-T375 HydrophobicContact CG2-CG2 3.88Å; S371-T375 PolarHBondContact O-OG1 3.26Å; I372-T375 CarbonylContact O-C 3.5Å; I372-T375 PolarHBondContact O-N 2.88Å; M373-T375 VanDerWaalsContact C-N 3.35Å; M373-T375 PolarHBondContact O-N 3.35Å; T375-Y379 WeakPolarHBondContact O-CB 3.49Å; T375-Y379 PolarHBondContact O-N 3.48Å
376	Y	91.9	Very high	87.6	Confident	19 Å²	19	46.5 Å²	46.5	8%	0.075	23%	0.233	C	C	.	.	H	α-helix	trans	-68	-39.5	168.2	169.5	-101.3	0	0	0	112.7	I344 I372 M373 Y379 R380 M400 L404	I344-Y376 HydrophobicContact CD1-CD2 4.19Å; I344-Y376 HydrophobicContact CG2-CD2 4.14Å; I372-Y376 PolarHBondContact O-N 3.25Å; M373-Y376 PolarHBondContact O-N 3.47Å; Y376-Y379 HydrophobicContact CD2-CD1 4.34Å; Y376-Y379 PolarHBondContact O-N 2.81Å; Y376-R380 VanDerWaalsContact O-CB 3.3Å; Y376-R380 WeakPolarHBondContact O-CB 3.18Å; Y376-R380 PolarHBondContact O-N 3.36Å; Y376-M400 HydrophobicContact CD1-CB 4.33Å; Y376-M400 HydrophobicContact CD1-CG 4.49Å; Y376-M400 HydrophobicContact CD1-SD 4.3Å; Y376-M400 HydrophobicContact CD2-CG 4.25Å; Y376-M400 HydrophobicContact CD2-SD 3.82Å; Y376-M400 HydrophobicContact CE1-CB 3.64Å; Y376-M400 HydrophobicContact CE1-CG 3.97Å; Y376-M400 HydrophobicContact CE1-SD 4.37Å; Y376-M400 HydrophobicContact CE2-CB 4.29Å; Y376-M400 HydrophobicContact CE2-CG 3.69Å; Y376-M400 HydrophobicContact CE2-SD 3.88Å; Y376-M400 HydrophobicContact CG-SD 4.04Å; Y376-L404 HydrophobicContact CD1-CD1 4.32Å; Y376-L404 HydrophobicContact CE1-CD1 4.07Å
377	I	91.6	Very high	86.2	Confident	63 Å²	63	53.7 Å²	53.7	32%	0.323	26%	0.264	S	S	.	.	H	α-helix	trans	-59.4	-47.6	174.6	-73.1	160.9	0	0	0	110.1	M260 F264 M373 E374 R380 Q381 L404	M260-I377 HydrophobicContact CE-CB 4.07Å; M260-I377 HydrophobicContact CE-CG2 3.88Å; F264-I377 HydrophobicContact CZ-CG2 4.1Å; M373-I377 VanDerWaalsContact O-CG1 3.25Å; M373-I377 WeakPolarHBondContact O-CG1 3.44Å; M373-I377 PolarHBondContact O-N 3.45Å; E374-I377 PolarHBondContact O-N 3.31Å; I377-R380 PolarHBondContact O-N 3.08Å; I377-Q381 WeakPolarHBondContact O-CB 3.43Å; I377-Q381 PolarHBondContact O-N 3.06Å; I377-L404 HydrophobicContact CD1-CD2 3.72Å; I377-L404 HydrophobicContact CG1-CD2 3.94Å
378	L	91.1	Very high	85.2	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.8	-47.3	174.6	-77.5	164	0	0	0	111.9	K256 F259 M260 F264 V295 E374 R380 Q381 F382	K256-L378 HydrophobicContact CD-CD1 3.75Å; K256-L378 HydrophobicContact CG-CD1 3.64Å; F259-L378 HydrophobicContact CD1-CD2 3.94Å; F259-L378 HydrophobicContact CE1-CD2 3.69Å; M260-L378 HydrophobicContact CE-CG 4.21Å; M260-L378 HydrophobicContact CG-CD1 3.9Å; M260-L378 HydrophobicContact CG-CD2 3.98Å; M260-L378 HydrophobicContact CG-CG 3.94Å; M260-L378 HydrophobicContact SD-CD1 3.65Å; M260-L378 HydrophobicContact SD-CG 3.88Å; F264-L378 HydrophobicContact CD1-CD2 3.78Å; F264-L378 HydrophobicContact CE1-CD2 3.56Å; F264-L378 HydrophobicContact CE1-CG 4.32Å; V295-L378 HydrophobicContact CG1-CB 3.34Å; V295-L378 HydrophobicContact CG1-CD1 4.44Å; V295-L378 HydrophobicContact CG1-CG 4.48Å; E374-L378 PolarHBondContact O-N 2.97Å; E374-L378 VanDerWaalsContact O-N 3.13Å; L378-R380 PolarHBondContact O-N 3.05Å; L378-Q381 PolarHBondContact O-N 3.25Å; L378-F382 HydrophobicContact CD2-CE2 4.22Å; L378-F382 WeakPolarHBondContact O-CD2 3.46Å; L378-F382 PolarHBondContact O-N 3.47Å
379	Y	91.2	Very high	84.3	Confident	30 Å²	30	66.6 Å²	66.6	12%	0.118	33%	0.325	C	S	.	.	H	α-helix	trans	-56.6	-48.3	175.3	170.2	-102	0	0	0	111.7	M298 I344 L345 K347 T375 Y376 Q381 F382 A383	M298-Y379 HydrophobicContact CE-CD2 3.85Å; M298-Y379 HydrophobicContact CE-CE2 3.87Å; M298-Y379 HydrophobicContact SD-CD2 4.07Å; M298-Y379 HydrophobicContact SD-CE2 4.29Å; I344-Y379 HydrophobicContact CG2-CD1 3.61Å; I344-Y379 HydrophobicContact CG2-CE1 3.69Å; I344-Y379 HydrophobicContact CG2-CG 4.2Å; L345-Y379 HydrophobicContact CD2-CD2 3.69Å; L345-Y379 HydrophobicContact CD2-CE2 4.01Å; K347-Y379 WeakPolarHBondContact CE-OH 3.46Å; T375-Y379 WeakPolarHBondContact O-CB 3.49Å; T375-Y379 PolarHBondContact O-N 3.48Å; Y376-Y379 HydrophobicContact CD2-CD1 4.34Å; Y376-Y379 PolarHBondContact O-N 2.81Å; Y379-Q381 VanDerWaalsContact C-N 3.27Å; Y379-Q381 PolarHBondContact O-N 3.14Å; Y379-F382 PolarHBondContact O-N 3.26Å; Y379-A383 HydrophobicContact CD2-CB 4.17Å; Y379-A383 HydrophobicContact CE1-CB 4.26Å; Y379-A383 HydrophobicContact CE2-CB 3.82Å; Y379-A383 WeakPolarHBondContact O-CB 3.31Å; Y379-A383 PolarHBondContact O-N 3.5Å
380	R	89.4	Confident	83.7	Confident	153 Å²	153	67.9 Å²	67.9	58%	0.577	34%	0.335	S	S	*	.	H	α-helix	trans	-63.5	-30.1	179.9	179.7	176.8	171.9	178.4	-4.2	113	Y376 I377 L378	Y376-R380 VanDerWaalsContact O-CB 3.3Å; Y376-R380 WeakPolarHBondContact O-CB 3.18Å; Y376-R380 PolarHBondContact O-N 3.36Å; I377-R380 PolarHBondContact O-N 3.08Å; L378-R380 PolarHBondContact O-N 3.05Å
381	Q	90	Very high	83.1	Confident	113 Å²	113	71.6 Å²	71.6	53%	0.528	36%	0.358	S	S	.	.	H	α-helix	trans	-75.2	-32.1	178.9	-176	62.1	24.2	0	0	113	F264 I377 L378 Y379	F264-Q381 HydrophobicContact CD2-CG 4Å; F264-Q381 HydrophobicContact CE2-CB 4.5Å; F264-Q381 HydrophobicContact CE2-CG 3.85Å; F264-Q381 HydrophobicContact CZ-CB 4.47Å; F264-Q381 HydrophobicContact CZ-CG 4.25Å; I377-Q381 WeakPolarHBondContact O-CB 3.43Å; I377-Q381 PolarHBondContact O-N 3.06Å; L378-Q381 PolarHBondContact O-N 3.25Å; Y379-Q381 VanDerWaalsContact C-N 3.27Å; Y379-Q381 PolarHBondContact O-N 3.14Å
382	F	88.3	Confident	82.6	Confident	73 Å²	73	77.3 Å²	77.3	32%	0.32	38%	0.382	S	S	.	.	H	α-helix	trans	-114.4	-7.1	-173.2	-64.4	-74.2	0	0	0	114.7	F259 F264 M298 A299 L378 Y379	F259-F382 HydrophobicContact CE1-CE2 4.22Å; F259-F382 HydrophobicContact CZ-CE2 4.21Å; F259-F382 HydrophobicContact CZ-CZ 4.05Å; F264-F382 HydrophobicContact CB-CZ 4.15Å; F264-F382 HydrophobicContact CD1-CE2 4.26Å; F264-F382 HydrophobicContact CG-CE2 4.43Å; F264-F382 HydrophobicContact CG-CZ 4.4Å; M298-F382 HydrophobicContact CB-CB 4.47Å; A299-F382 HydrophobicContact CB-CD1 4.37Å; A299-F382 HydrophobicContact CB-CD2 3.5Å; A299-F382 HydrophobicContact CB-CE1 4.42Å; A299-F382 HydrophobicContact CB-CE2 3.59Å; A299-F382 HydrophobicContact CB-CG 3.94Å; A299-F382 HydrophobicContact CB-CZ 4.06Å; L378-F382 HydrophobicContact CD2-CE2 4.22Å; L378-F382 WeakPolarHBondContact O-CD2 3.46Å; L378-F382 PolarHBondContact O-N 3.47Å; Y379-F382 PolarHBondContact O-N 3.26Å
383	A	85.1	Confident	82.3	Confident	22 Å²	22	77.6 Å²	77.6	18%	0.182	38%	0.383	C	S	.	.	S	Bend	trans	-77.5	141.5	171.8	0	0	0	0	0	112.1	M298 Y379	M298-A383 HydrophobicContact CE-CB 3.84Å; Y379-A383 HydrophobicContact CD2-CB 4.17Å; Y379-A383 HydrophobicContact CE1-CB 4.26Å; Y379-A383 HydrophobicContact CE2-CB 3.82Å; Y379-A383 WeakPolarHBondContact O-CB 3.31Å; Y379-A383 PolarHBondContact O-N 3.5Å
384	K	77.4	Confident	82	Confident	130 Å²	130	80.2 Å²	80.2	57%	0.565	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-58.9	131.9	172.1	-65.7	175.4	-178.9	169.3	0	110.4	E303	E303-K384 WeakPolarHBondContact OE1-CE 3.47Å; E303-K384 IonicContact OE1-NZ 3.9Å; E303-K384 PolarHBondContact OE1-NZ 3.23Å; E303-K384 IonicContact OE2-NZ 3.48Å; E303-K384 PolarHBondContact OE2-NZ 3.33Å
385	P	70.1	Confident	81.9	Confident	111 Å²	111	80.3 Å²	80.3	72%	0.721	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-66.5	148.4	179.8	28.2	-35.1	0	0	0	111.4	E387	P385-E387 PolarHBondContact O-N 3.4Å
386	P	67.1	Low	81.9	Confident	77 Å²	77	80.3 Å²	80.3	50%	0.5	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-71.8	128.6	177.7	28.9	-33.5	0	0	0	111.3	V388	P386-V388 VanDerWaalsContact C-N 3.25Å; P386-V388 PolarHBondContact O-N 2.99Å
387	E	59.2	Low	81.7	Confident	200 Å²	200	82.1 Å²	82.1	94%	0.935	41%	0.409	S	S	*	.	S	Bend	trans	-65.5	-26.5	-178.5	-60.8	179.9	152.3	0	0	113.3	P385	P385-E387 PolarHBondContact O-N 3.4Å
388	V	67.4	Low	81.8	Confident	120 Å²	120	79.8 Å²	79.8	73%	0.727	40%	0.396	S	S	*	.	S	Bend	trans	-132.1	123	178.9	-177.3	0	0	0	0	109.5	P386	P386-V388 VanDerWaalsContact C-N 3.25Å; P386-V388 PolarHBondContact O-N 2.99Å
389	R	72.7	Confident	82	Confident	196 Å²	196	79.9 Å²	79.9	74%	0.74	40%	0.397	S	S	*	.			trans	-73.2	133.1	169.3	-68.4	-168.9	-176.7	-172.8	2.3	110
390	S	78.8	Confident	82.1	Confident	38 Å²	38	78.4 Å²	78.4	27%	0.266	39%	0.391	S	S	.	.			trans	-116.8	155.6	172.8	75.5	0	0	0	0	110.1	K392 Q393 D394	S390-K392 PolarHBondContact O-N 3.33Å; S390-Q393 WeakPolarHBondContact O-CA 3.46Å; S390-Q393 VanDerWaalsContact O-CB 3.26Å; S390-Q393 WeakPolarHBondContact O-CB 3.38Å; S390-Q393 PolarHBondContact O-N 3.43Å; S390-Q393 PolarHBondContact OG-N 2.94Å; S390-D394 PolarHBondContact O-N 2.67Å
391	P	77.1	Confident	82.2	Confident	89 Å²	89	74.3 Å²	74.3	58%	0.578	38%	0.378	S	S	*	.	H	α-helix	trans	-58.2	-19.8	175.9	-26.4	35.5	0	0	0	114.3	M395 T449	P391-M395 WeakPolarHBondContact O-CG 3.35Å; P391-M395 PolarHBondContact O-N 2.89Å; P391-T449 HydrophobicContact CB-CG2 4.08Å; P391-T449 WeakPolarHBondContact O-CG2 3.44Å
392	K	80.9	Confident	82.3	Confident	128 Å²	128	68.9 Å²	68.9	56%	0.557	35%	0.353	S	S	*	.	H	α-helix	trans	-76.6	-30.3	172.3	-65.4	-176.8	-179.7	178.1	0	112.3	F349 S390 V396	F349-K392 HydrophobicContact CB-CB 4.29Å; F349-K392 HydrophobicContact CD2-CB 4.38Å; S390-K392 PolarHBondContact O-N 3.33Å; K392-V396 WeakPolarHBondContact O-CG2 3.37Å; K392-V396 PolarHBondContact O-N 3.04Å; K392-V396 VanDerWaalsContact O-N 3.08Å
393	Q	85.1	Confident	82.5	Confident	26 Å²	26	65.5 Å²	65.5	12%	0.121	34%	0.338	C	S	.	.	H	α-helix	trans	-67.1	-45.8	172.4	-172.7	66.3	56	0	0	110.2	S390 M395 V396 D397	S390-Q393 WeakPolarHBondContact O-CA 3.46Å; S390-Q393 VanDerWaalsContact O-CB 3.26Å; S390-Q393 WeakPolarHBondContact O-CB 3.38Å; S390-Q393 PolarHBondContact O-N 3.43Å; S390-Q393 PolarHBondContact OG-N 2.94Å; Q393-M395 PolarHBondContact O-N 3.34Å; Q393-V396 PolarHBondContact O-N 2.71Å; Q393-D397 PolarHBondContact NE2-OD1 3.36Å; Q393-D397 WeakPolarHBondContact O-CB 3.3Å; Q393-D397 PolarHBondContact O-N 3.21Å
394	D	85.3	Confident	82.8	Confident	58 Å²	58	65.6 Å²	65.6	31%	0.31	34%	0.335	S	S	.	.	H	α-helix	trans	-59.2	-34.7	179.1	-56.3	-54.3	0	0	0	111.9	S390 F398 V448	S390-D394 PolarHBondContact O-N 2.67Å; D394-F398 WeakPolarHBondContact O-CB 3.48Å; D394-F398 PolarHBondContact O-N 3.45Å; D394-V448 HydrophobicContact CB-CG1 4.29Å
395	M	88.8	Confident	83.3	Confident	31 Å²	31	60.1 Å²	60.1	15%	0.153	31%	0.312	C	S	.	.	H	α-helix	trans	-71.8	-38.7	173.7	-70.6	-74.1	-82.4	0	0	113.3	I353 P391 Q393 W399 P429 V448 T449	I353-M395 HydrophobicContact CD1-CB 3.71Å; I353-M395 HydrophobicContact CG1-CB 4.32Å; P391-M395 WeakPolarHBondContact O-CG 3.35Å; P391-M395 PolarHBondContact O-N 2.89Å; Q393-M395 PolarHBondContact O-N 3.34Å; M395-W399 PolarHBondContact O-N 3.27Å; M395-P429 HydrophobicContact CE-CB 4.1Å; M395-P429 HydrophobicContact CE-CG 3.7Å; M395-P429 HydrophobicContact SD-CB 3.83Å; M395-P429 HydrophobicContact SD-CG 4.09Å; M395-V448 HydrophobicContact SD-CB 4.2Å; M395-V448 HydrophobicContact SD-CG1 4.13Å; M395-T449 HydrophobicContact CG-CG2 3.68Å; M395-T449 HydrophobicContact SD-CG2 4.09Å; M395-T449 PolarHBondContact SD-OG1 2.6Å
396	V	90.4	Very high	84.2	Confident	10 Å²	10	55.2 Å²	55.2	6%	0.061	28%	0.28	C	S	.	.	H	α-helix	trans	-65.1	-45.7	172.4	167.2	0	0	0	0	110.6	F349 V352 I353 K392 Q393 F398 W399 M400	F349-V396 HydrophobicContact CB-CG2 3.89Å; F349-V396 HydrophobicContact CD1-CG2 4.01Å; F349-V396 HydrophobicContact CG-CG2 4.3Å; V352-V396 HydrophobicContact CB-CG2 4.35Å; V352-V396 HydrophobicContact CG1-CG1 3.96Å; V352-V396 HydrophobicContact CG1-CG2 4.08Å; I353-V396 HydrophobicContact CD1-CG2 4.1Å; I353-V396 HydrophobicContact CG1-CG2 3.84Å; K392-V396 WeakPolarHBondContact O-CG2 3.37Å; K392-V396 PolarHBondContact O-N 3.04Å; K392-V396 VanDerWaalsContact O-N 3.08Å; Q393-V396 PolarHBondContact O-N 2.71Å; V396-F398 VanDerWaalsContact C-N 3.3Å; V396-F398 PolarHBondContact O-N 3.36Å; V396-W399 PolarHBondContact O-N 3.42Å; V396-W399 VanDerWaalsContact O-N 3.12Å; V396-M400 HydrophobicContact CG1-CG 4.2Å; V396-M400 VanDerWaalsContact O-CG 3.29Å; V396-M400 WeakPolarHBondContact O-CG 3.49Å; V396-M400 PolarHBondContact O-N 3.38Å
397	D	89.7	Confident	85.1	Confident	57 Å²	57	53.1 Å²	53.1	31%	0.305	27%	0.267	S	S	.	.	H	α-helix	trans	-61.4	-39.4	178.7	-70.3	-2.8	0	0	0	111	Q393 E401	Q393-D397 PolarHBondContact NE2-OD1 3.36Å; Q393-D397 WeakPolarHBondContact O-CB 3.3Å; Q393-D397 PolarHBondContact O-N 3.21Å; D397-E401 VanDerWaalsContact O-CB 3.29Å; D397-E401 WeakPolarHBondContact O-CB 3.36Å; D397-E401 PolarHBondContact O-N 3.3Å
398	F	93.3	Very high	86.1	Confident	13 Å²	13	47.6 Å²	47.6	6%	0.057	24%	0.24	C	C	.	.	H	α-helix	trans	-59.9	-50.4	169.9	166.4	-89.9	0	0	0	112.6	D394 V396 M400 E401 L402 P417 V418 L419 P429 S430 V448	D394-F398 WeakPolarHBondContact O-CB 3.48Å; D394-F398 PolarHBondContact O-N 3.45Å; V396-F398 VanDerWaalsContact C-N 3.3Å; V396-F398 PolarHBondContact O-N 3.36Å; F398-M400 VanDerWaalsContact C-N 3.32Å; F398-M400 PolarHBondContact O-N 3.04Å; F398-E401 PolarHBondContact O-N 3.16Å; F398-L402 HydrophobicContact CE1-CB 4.46Å; F398-L402 HydrophobicContact CE1-CD2 4.45Å; F398-L402 HydrophobicContact CZ-CB 4.45Å; F398-L402 HydrophobicContact CZ-CD1 4.03Å; F398-L402 WeakPolarHBondContact O-CB 3.27Å; F398-L402 PolarHBondContact O-N 3.43Å; F398-P417 HydrophobicContact CD2-CB 3.96Å; F398-P417 HydrophobicContact CE2-CB 3.49Å; F398-P417 VanDerWaalsContact CE2-CB 3.49Å; F398-P417 HydrophobicContact CZ-CB 4.29Å; F398-V418 WeakPolarHBondContact CZ-O 3.39Å; F398-L419 HydrophobicContact CE1-CD2 3.64Å; F398-L419 HydrophobicContact CZ-CD2 3.74Å; F398-L419 HydrophobicContact CZ-CG 4.48Å; F398-P429 HydrophobicContact CD1-CB 3.55Å; F398-P429 HydrophobicContact CD1-CG 3.92Å; F398-P429 HydrophobicContact CD2-CB 4.45Å; F398-P429 HydrophobicContact CE1-CB 3.5Å; F398-P429 HydrophobicContact CE1-CG 3.71Å; F398-P429 HydrophobicContact CE2-CB 4.37Å; F398-P429 HydrophobicContact CG-CB 4.05Å; F398-P429 HydrophobicContact CZ-CB 3.93Å; F398-P429 HydrophobicContact CZ-CG 4.45Å; F398-S430 VanDerWaalsContact CE2-O 3.23Å; F398-S430 WeakPolarHBondContact CE2-O 3.43Å; F398-V448 HydrophobicContact CB-CG1 4.11Å; F398-V448 HydrophobicContact CB-CG2 4.04Å; F398-V448 HydrophobicContact CD2-CG2 3.55Å; F398-V448 HydrophobicContact CE2-CG2 4.24Å; F398-V448 HydrophobicContact CG-CG2 3.85Å
399	W	94.1	Very high	86	Confident	2 Å²	2	47 Å²	47	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-65.6	-37.1	-177	-86.7	111	0	0	0	112.2	E357 Y360 M395 V396 L402 L403 L419 P429	E357-W399 VanDerWaalsContact CA-CH2 3.46Å; E357-W399 HydrophobicContact CB-CH2 3.64Å; E357-W399 HydrophobicContact CB-CZ2 3.61Å; E357-W399 HydrophobicContact CB-CZ3 4.36Å; E357-W399 HydrophobicContact CG-CH2 3.71Å; E357-W399 HydrophobicContact CG-CZ2 3.83Å; Y360-W399 HydrophobicContact CG-CZ3 4.43Å; M395-W399 PolarHBondContact O-N 3.27Å; V396-W399 PolarHBondContact O-N 3.42Å; V396-W399 VanDerWaalsContact O-N 3.12Å; W399-L402 HydrophobicContact CE3-CD2 3.64Å; W399-L402 HydrophobicContact CH2-CD2 4.35Å; W399-L402 HydrophobicContact CZ3-CD2 3.43Å; W399-L402 VanDerWaalsContact CZ3-CD2 3.43Å; W399-L402 PolarHBondContact O-N 2.88Å; W399-L403 WeakPolarHBondContact O-CG 3.38Å; W399-L403 PolarHBondContact O-N 3.03Å; W399-L403 VanDerWaalsContact O-N 3.07Å; W399-L419 HydrophobicContact CH2-CD1 3.52Å; W399-L419 HydrophobicContact CH2-CD2 3.56Å; W399-L419 HydrophobicContact CH2-CG 4.17Å; W399-L419 HydrophobicContact CZ2-CD1 4.47Å; W399-L419 HydrophobicContact CZ2-CD2 3.75Å; W399-L419 HydrophobicContact CZ3-CD1 3.94Å; W399-L419 HydrophobicContact CZ3-CD2 4.21Å; W399-P429 HydrophobicContact CZ2-CG 4.36Å
400	M	93.3	Very high	85.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-68	-40.6	174	-64	-61.8	98.1	0	0	111.5	L340 I344 V352 S356 M373 Y376 V396 F398 L403 L404	L340-M400 HydrophobicContact CD1-CE 4.1Å; L340-M400 HydrophobicContact CD2-CE 4.41Å; I344-M400 HydrophobicContact CD1-CE 4.39Å; I344-M400 HydrophobicContact CD1-SD 3.79Å; V352-M400 HydrophobicContact CG1-CE 4.16Å; S356-M400 VanDerWaalsContact OG-CE 3.22Å; S356-M400 WeakPolarHBondContact OG-CE 3.41Å; M373-M400 HydrophobicContact CE-SD 4.25Å; Y376-M400 HydrophobicContact CD1-CB 4.33Å; Y376-M400 HydrophobicContact CD1-CG 4.49Å; Y376-M400 HydrophobicContact CD1-SD 4.3Å; Y376-M400 HydrophobicContact CD2-CG 4.25Å; Y376-M400 HydrophobicContact CD2-SD 3.82Å; Y376-M400 HydrophobicContact CE1-CB 3.64Å; Y376-M400 HydrophobicContact CE1-CG 3.97Å; Y376-M400 HydrophobicContact CE1-SD 4.37Å; Y376-M400 HydrophobicContact CE2-CB 4.29Å; Y376-M400 HydrophobicContact CE2-CG 3.69Å; Y376-M400 HydrophobicContact CE2-SD 3.88Å; Y376-M400 HydrophobicContact CG-SD 4.04Å; V396-M400 HydrophobicContact CG1-CG 4.2Å; V396-M400 VanDerWaalsContact O-CG 3.29Å; V396-M400 WeakPolarHBondContact O-CG 3.49Å; V396-M400 PolarHBondContact O-N 3.38Å; F398-M400 VanDerWaalsContact C-N 3.32Å; F398-M400 PolarHBondContact O-N 3.04Å; M400-L403 HydrophobicContact CE-CD1 4Å; M400-L403 PolarHBondContact O-N 2.83Å; M400-L404 VanDerWaalsContact O-CB 3.27Å; M400-L404 WeakPolarHBondContact O-CB 3.41Å; M400-L404 WeakPolarHBondContact O-CD1 3.27Å; M400-L404 WeakPolarHBondContact O-CG 3.44Å; M400-L404 PolarHBondContact O-N 3.41Å
401	E	91.6	Very high	84.5	Confident	66 Å²	66	43.4 Å²	43.4	31%	0.308	24%	0.237	S	C	.	.	H	α-helix	trans	-64.9	-40.7	174	-174.9	61.6	-158.4	0	0	111.8	D397 F398 L404 Q405 P417	D397-E401 VanDerWaalsContact O-CB 3.29Å; D397-E401 WeakPolarHBondContact O-CB 3.36Å; D397-E401 PolarHBondContact O-N 3.3Å; F398-E401 PolarHBondContact O-N 3.16Å; E401-L404 PolarHBondContact O-N 3.22Å; E401-Q405 HydrophobicContact CG-CG 4.39Å; E401-Q405 WeakPolarHBondContact O-CB 3.49Å; E401-Q405 WeakPolarHBondContact O-CG 3.43Å; E401-Q405 PolarHBondContact O-N 3.44Å; E401-Q405 PolarHBondContact OE1-NE2 3.32Å; E401-P417 HydrophobicContact CG-CG 4.29Å
402	L	92.6	Very high	83.4	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-57.4	-51.5	174.8	-170.7	85.8	0	0	0	110.8	Y360 F398 W399 L404 Q405 S406 P417 L419 P494	Y360-L402 HydrophobicContact CD2-CD2 3.94Å; Y360-L402 HydrophobicContact CE2-CD2 4.25Å; F398-L402 HydrophobicContact CE1-CB 4.46Å; F398-L402 HydrophobicContact CE1-CD2 4.45Å; F398-L402 HydrophobicContact CZ-CB 4.45Å; F398-L402 HydrophobicContact CZ-CD1 4.03Å; F398-L402 WeakPolarHBondContact O-CB 3.27Å; F398-L402 PolarHBondContact O-N 3.43Å; W399-L402 HydrophobicContact CE3-CD2 3.64Å; W399-L402 HydrophobicContact CH2-CD2 4.35Å; W399-L402 HydrophobicContact CZ3-CD2 3.43Å; W399-L402 VanDerWaalsContact CZ3-CD2 3.43Å; W399-L402 PolarHBondContact O-N 2.88Å; L402-L404 PolarHBondContact O-N 2.9Å; L402-Q405 PolarHBondContact O-N 2.94Å; L402-S406 PolarHBondContact O-N 2.9Å; L402-S406 PolarHBondContact O-OG 3.5Å; L402-P417 HydrophobicContact CB-CB 4.41Å; L402-P417 HydrophobicContact CB-CG 4.49Å; L402-P417 HydrophobicContact CD1-CB 3.92Å; L402-P417 HydrophobicContact CD1-CG 4.14Å; L402-P417 WeakPolarHBondContact CD1-O 3.18Å; L402-L419 HydrophobicContact CD2-CD1 4.04Å; L402-L419 HydrophobicContact CD2-CD2 4.42Å; L402-L419 HydrophobicContact CD2-CG 4.16Å; L402-P494 HydrophobicContact CD1-CG 4Å
403	L	92.9	Very high	82.2	Confident	2 Å²	2	41.2 Å²	41.2	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-68	-32.3	179.4	-65.7	174.6	0	0	0	112.7	L340 L369 M373 W399 M400 S406 C407	L340-L403 HydrophobicContact CD2-CD1 4.06Å; L369-L403 HydrophobicContact CD2-CD2 4.17Å; M373-L403 HydrophobicContact CE-CB 3.92Å; M373-L403 HydrophobicContact CE-CD1 3.98Å; M373-L403 HydrophobicContact CG-CB 4.26Å; M373-L403 HydrophobicContact SD-CB 3.55Å; M373-L403 VanDerWaalsContact SD-CB 3.55Å; W399-L403 WeakPolarHBondContact O-CG 3.38Å; W399-L403 PolarHBondContact O-N 3.03Å; W399-L403 VanDerWaalsContact O-N 3.07Å; M400-L403 HydrophobicContact CE-CD1 4Å; M400-L403 PolarHBondContact O-N 2.83Å; L403-S406 WeakPolarHBondContact O-CB 3.42Å; L403-S406 PolarHBondContact O-N 2.98Å; L403-C407 PolarHBondContact O-SG 2.64Å
404	L	90.8	Very high	81.4	Confident	23 Å²	23	43.8 Å²	43.8	12%	0.12	25%	0.252	C	S	.	.	H	α-helix	trans	-65.6	-41.3	171.8	-81.3	164.6	0	0	0	112.1	M373 Y376 I377 M400 E401 L402 C407	M373-L404 HydrophobicContact CB-CD2 3.86Å; M373-L404 HydrophobicContact CB-CG 4.49Å; M373-L404 HydrophobicContact CG-CD2 4.28Å; M373-L404 HydrophobicContact CG-CG 4.41Å; M373-L404 HydrophobicContact SD-CD2 4.3Å; M373-L404 HydrophobicContact SD-CG 3.91Å; Y376-L404 HydrophobicContact CD1-CD1 4.32Å; Y376-L404 HydrophobicContact CE1-CD1 4.07Å; I377-L404 HydrophobicContact CD1-CD2 3.72Å; I377-L404 HydrophobicContact CG1-CD2 3.94Å; M400-L404 VanDerWaalsContact O-CB 3.27Å; M400-L404 WeakPolarHBondContact O-CB 3.41Å; M400-L404 WeakPolarHBondContact O-CD1 3.27Å; M400-L404 WeakPolarHBondContact O-CG 3.44Å; M400-L404 PolarHBondContact O-N 3.41Å; E401-L404 PolarHBondContact O-N 3.22Å; L402-L404 PolarHBondContact O-N 2.9Å; L404-C407 PolarHBondContact O-N 3.3Å
405	Q	88.6	Confident	81.4	Confident	15 Å²	15	49 Å²	49	7%	0.07	27%	0.267	C	S	.	.	H	α-helix	trans	-69.4	-34.3	176.3	-64.4	-73.5	2	0	0	111.3	E401 L402 C407 K408 P417 P494 H498	E401-Q405 HydrophobicContact CG-CG 4.39Å; E401-Q405 WeakPolarHBondContact O-CB 3.49Å; E401-Q405 WeakPolarHBondContact O-CG 3.43Å; E401-Q405 PolarHBondContact O-N 3.44Å; E401-Q405 PolarHBondContact OE1-NE2 3.32Å; L402-Q405 PolarHBondContact O-N 2.94Å; Q405-C407 PolarHBondContact O-N 3.02Å; Q405-K408 PolarHBondContact O-N 2.94Å; Q405-K408 VanDerWaalsContact O-N 3.09Å; Q405-K408 VanDerWaalsContact OE1-NZ 3.09Å; Q405-P417 HydrophobicContact CB-CG 4.44Å; Q405-P417 HydrophobicContact CG-CG 4Å; Q405-P494 HydrophobicContact CB-CB 3.86Å; Q405-P494 HydrophobicContact CB-CG 3.73Å; Q405-H498 PolarHBondContact O-CE1 3.08Å
406	S	88.3	Confident	81.4	Confident	8 Å²	8	48 Å²	48	6%	0.056	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-20.9	171.2	-63.7	0	0	0	0	113.6	L402 L403 P494	L402-S406 PolarHBondContact O-N 2.9Å; L402-S406 PolarHBondContact O-OG 3.5Å; L403-S406 WeakPolarHBondContact O-CB 3.42Å; L403-S406 PolarHBondContact O-N 2.98Å; S406-P494 WeakPolarHBondContact CB-O 3.48Å; S406-P494 WeakPolarHBondContact OG-CA 3.18Å; S406-P494 WeakPolarHBondContact OG-CB 3.43Å; S406-P494 PolarHBondContact OG-O 3.25Å
407	C	86.3	Confident	81.5	Confident	33 Å²	33	48 Å²	48	22%	0.223	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	0.6	-179.3	-58.8	0	0	0	0	114.3	A370 L403 L404 Q405	A370-C407 HydrophobicContact CB-CB 4.38Å; A370-C407 PolarHBondContact N-SG 2.65Å; A370-C407 VanDerWaalsContact N-SG 3.42Å; L403-C407 PolarHBondContact O-SG 2.64Å; L404-C407 PolarHBondContact O-N 3.3Å; Q405-C407 PolarHBondContact O-N 3.02Å
408	K	80.9	Confident	81.7	Confident	85 Å²	85	45.3 Å²	45.3	37%	0.37	25%	0.249	S	C	.	.			trans	-98.7	135.6	-176.7	-64.2	-178.4	-159.6	165.1	0	111.9	Q405	Q405-K408 PolarHBondContact O-N 2.94Å; Q405-K408 VanDerWaalsContact O-N 3.09Å; Q405-K408 VanDerWaalsContact OE1-NZ 3.09Å
409	P	65.3	Low	81.7	Confident	108 Å²	108	44.7 Å²	44.7	70%	0.701	25%	0.246	S	C	*	.	S	Bend	trans	-85.2	-2.6	-176.7	34.4	-36.6	0	0	0	114.7
410	T	60	Low	81.5	Confident	105 Å²	105	45.1 Å²	45.1	64%	0.644	25%	0.248	S	C	*	.			trans	-129.2	143.4	-173.4	52.3	0	0	0	0	111.6
411	V	60.1	Low	81.1	Confident	52 Å²	52	46.8 Å²	46.8	32%	0.315	26%	0.257	S	S	.	.			trans	-121.4	116.7	177.5	178	0	0	0	0	110.2	I497 H498	V411-I497 HydrophobicContact CG2-CB 4.13Å; V411-I497 HydrophobicContact CG2-CG2 3.67Å; V411-H498 HydrophobicContact CG2-CB 4.43Å
412	S	53.2	Low	80.6	Confident	108 Å²	108	46.6 Å²	46.6	76%	0.755	26%	0.256	S	S	*	.			trans	-160.5	72	161.3	63.8	0	0	0	0	108.6
413	T	56.3	Low	79.4	Confident	63 Å²	63	50.2 Å²	50.2	39%	0.387	28%	0.28	S	S	.	.			trans	-130.6	116.5	172.3	53.5	0	0	0	0	111.6	R415	T413-R415 WeakPolarHBondContact CB-O 3.34Å; T413-R415 PolarHBondContact O-N 2.86Å; T413-R415 PolarHBondContact OG1-O 3.13Å
414	N	68.7	Low	78.2	Confident	81 Å²	81	53.4 Å²	53.4	43%	0.433	30%	0.302	S	S	.	.	S	Bend	trans	-63.6	10.1	169.4	-61.7	16.6	0	0	0	112.8	S433 V434	N414-S433 CarbonylContact O-C 3.57Å; N414-S433 WeakPolarHBondContact O-CA 3.39Å; N414-S433 WeakPolarHBondContact O-CB 3.32Å; N414-V434 WeakPolarHBondContact CB-O 3.49Å; N414-V434 PolarHBondContact O-N 3.37Å
415	R	85.2	Confident	77.5	Confident	167 Å²	167	58 Å²	58	63%	0.63	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-154.1	115.5	178.4	-179.9	176.5	168.9	-108.5	-3.2	109.1	T413 I431 V432	T413-R415 WeakPolarHBondContact CB-O 3.34Å; T413-R415 PolarHBondContact O-N 2.86Å; T413-R415 PolarHBondContact OG1-O 3.13Å; R415-I431 HydrophobicContact CG-CG2 3.61Å; R415-V432 CarbonylContact C-O 3.55Å; R415-V432 VanDerWaalsContact CA-O 3.28Å; R415-V432 WeakPolarHBondContact CA-O 3.45Å
416	C	88.6	Confident	77.2	Confident	9 Å²	9	60.9 Å²	60.9	6%	0.061	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	137.2	-178	-168.6	0	0	0	0	110.8	V432	C416-V432 HydrophobicContact CB-CG1 3.88Å; C416-V432 PolarHBondContact N-O 2.92Å; C416-V432 PolarHBondContact O-N 2.96Å
417	P	91.9	Very high	77.2	Confident	11 Å²	11	62.2 Å²	62.2	7%	0.071	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	131.6	168.3	30.4	-34.6	0	0	0	110.2	F398 E401 L402 Q405 P494	F398-P417 HydrophobicContact CD2-CB 3.96Å; F398-P417 HydrophobicContact CE2-CB 3.49Å; F398-P417 VanDerWaalsContact CE2-CB 3.49Å; F398-P417 HydrophobicContact CZ-CB 4.29Å; E401-P417 HydrophobicContact CG-CG 4.29Å; L402-P417 HydrophobicContact CB-CB 4.41Å; L402-P417 HydrophobicContact CB-CG 4.49Å; L402-P417 HydrophobicContact CD1-CB 3.92Å; L402-P417 HydrophobicContact CD1-CG 4.14Å; L402-P417 WeakPolarHBondContact CD1-O 3.18Å; Q405-P417 HydrophobicContact CB-CG 4.44Å; Q405-P417 HydrophobicContact CG-CG 4Å; P417-P494 HydrophobicContact CG-CG 4.21Å; P417-P494 WeakPolarHBondContact O-CD 3.44Å
418	V	93.1	Very high	77.4	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	153.7	179.4	-67.3	0	0	0	0	111.1	F398 S430 V432 C492 F493	F398-V418 WeakPolarHBondContact CZ-O 3.39Å; V418-S430 PolarHBondContact N-O 2.92Å; V418-S430 CarbonylContact O-C 3.56Å; V418-S430 WeakPolarHBondContact O-CA 3.37Å; V418-S430 PolarHBondContact O-N 3.08Å; V418-V432 HydrophobicContact CG1-CB 4.48Å; V418-V432 HydrophobicContact CG1-CG1 3.74Å; V418-V432 HydrophobicContact CG2-CB 4.05Å; V418-V432 HydrophobicContact CG2-CG1 4.19Å; V418-C492 CarbonylContact C-O 3.49Å; V418-C492 WeakPolarHBondContact CA-O 3.42Å; V418-F493 HydrophobicContact CG1-CD1 3.53Å; V418-F493 HydrophobicContact CG1-CD2 4.46Å; V418-F493 HydrophobicContact CG1-CE1 3.47Å; V418-F493 VanDerWaalsContact CG1-CE1 3.47Å; V418-F493 HydrophobicContact CG1-CE2 4.39Å; V418-F493 HydrophobicContact CG1-CG 4.04Å; V418-F493 HydrophobicContact CG1-CZ 3.91Å
419	L	93.4	Very high	77.9	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	115.9	169	-58	170.5	0	0	0	107.8	Y360 F398 W399 L402 L421 Y427 P429 C492	Y360-L419 HydrophobicContact CD1-CD1 3.64Å; Y360-L419 HydrophobicContact CE1-CD1 3.63Å; Y360-L419 HydrophobicContact CE2-CD1 4.48Å; Y360-L419 HydrophobicContact CG-CD1 4.11Å; F398-L419 HydrophobicContact CE1-CD2 3.64Å; F398-L419 HydrophobicContact CZ-CD2 3.74Å; F398-L419 HydrophobicContact CZ-CG 4.48Å; W399-L419 HydrophobicContact CH2-CD1 3.52Å; W399-L419 HydrophobicContact CH2-CD2 3.56Å; W399-L419 HydrophobicContact CH2-CG 4.17Å; W399-L419 HydrophobicContact CZ2-CD1 4.47Å; W399-L419 HydrophobicContact CZ2-CD2 3.75Å; W399-L419 HydrophobicContact CZ3-CD1 3.94Å; W399-L419 HydrophobicContact CZ3-CD2 4.21Å; L402-L419 HydrophobicContact CD2-CD1 4.04Å; L402-L419 HydrophobicContact CD2-CD2 4.42Å; L402-L419 HydrophobicContact CD2-CG 4.16Å; L419-L421 PolarHBondContact O-N 2.57Å; L419-Y427 HydrophobicContact CB-CD1 3.73Å; L419-Y427 HydrophobicContact CB-CG 4.24Å; L419-Y427 HydrophobicContact CD1-CD1 4.07Å; L419-Y427 HydrophobicContact CD1-CG 4.09Å; L419-P429 HydrophobicContact CD2-CG 4.09Å; L419-C492 HydrophobicContact CB-CB 4.23Å; L419-C492 PolarHBondContact N-O 2.68Å; L419-C492 WeakPolarHBondContact O-CB 3.19Å; L419-C492 PolarHBondContact O-N 3.42Å
420	I	90.5	Very high	79.2	Confident	11 Å²	11	52.5 Å²	52.5	6%	0.056	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	123	167.3	-59.2	177.8	0	0	0	106.3	E422 Q428 S430 L445 F489 L491	I420-E422 PolarHBondContact O-N 2.95Å; I420-Q428 HydrophobicContact CB-CB 4.49Å; I420-Q428 PolarHBondContact N-O 3.24Å; I420-Q428 VanDerWaalsContact N-O 3.11Å; I420-Q428 PolarHBondContact O-N 3.34Å; I420-S430 WeakPolarHBondContact CD1-OG 3.43Å; I420-L445 HydrophobicContact CD1-CD1 4.48Å; I420-F489 HydrophobicContact CD1-CD1 4.3Å; I420-F489 HydrophobicContact CG2-CD1 4.39Å; I420-L491 HydrophobicContact CG1-CD2 3.83Å
421	L	85.5	Confident	80.7	Confident	35 Å²	35	49.5 Å²	49.5	18%	0.183	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	104.8	171.4	-177.5	58.8	0	0	0	108.3	L419 Y427 Q490	L419-L421 PolarHBondContact O-N 2.57Å; L421-Y427 HydrophobicContact CB-CD1 4.25Å; L421-Y427 HydrophobicContact CB-CE1 4.17Å; L421-Y427 HydrophobicContact CD1-CD1 3.93Å; L421-Y427 HydrophobicContact CD1-CE1 3.85Å; L421-Y427 HydrophobicContact CD1-CG 4.43Å; L421-Y427 HydrophobicContact CD2-CE1 4.46Å; L421-Y427 HydrophobicContact CG-CE1 4.38Å; L421-Q490 HydrophobicContact CB-CB 4.33Å; L421-Q490 HydrophobicContact CB-CG 4.38Å; L421-Q490 PolarHBondContact N-O 2.71Å
422	E	80.7	Confident	82.1	Confident	62 Å²	62	47.1 Å²	47.1	29%	0.29	25%	0.253	S	S	.	.			trans	-70.7	158.5	177.7	-73.5	-171.5	172.7	0	0	111.5	I420 S424 K425 V426 Q428	I420-E422 PolarHBondContact O-N 2.95Å; E422-S424 WeakPolarHBondContact CB-OG 3.43Å; E422-S424 PolarHBondContact O-N 3.13Å; E422-S424 PolarHBondContact OE2-OG 2.92Å; E422-K425 WeakPolarHBondContact O-CA 3.29Å; E422-K425 PolarHBondContact O-N 3.27Å; E422-V426 PolarHBondContact N-O 3.05Å; E422-Q428 HydrophobicContact CG-CB 4.23Å
423	P	66.3	Low	83.8	Confident	77 Å²	77	43.5 Å²	43.5	50%	0.5	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-22.8	173.7	-27.6	36.5	0	0	0	114.4	K425 I689	P423-K425 PolarHBondContact O-N 3.28Å; P423-I689 HydrophobicContact CB-CG2 4.21Å; P423-I689 HydrophobicContact CG-CB 4.4Å; P423-I689 HydrophobicContact CG-CG2 4.01Å
424	S	68.4	Low	85.2	Confident	69 Å²	69	40.9 Å²	40.9	48%	0.483	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-5.9	170	59.2	0	0	0	0	114.4	E422 V426	E422-S424 WeakPolarHBondContact CB-OG 3.43Å; E422-S424 PolarHBondContact O-N 3.13Å; E422-S424 PolarHBondContact OE2-OG 2.92Å; S424-V426 PolarHBondContact O-N 3.19Å; S424-V426 WeakPolarHBondContact OG-CB 3.3Å; S424-V426 PolarHBondContact OG-N 3.23Å
425	K	77.4	Confident	85.9	Confident	119 Å²	119	38.4 Å²	38.4	52%	0.517	20%	0.2	S	C	.	.	S	Bend	trans	58.3	22.4	-169.3	-39.6	-65.9	-177.4	178.8	0	113.4	E422 P423 E694	E422-K425 WeakPolarHBondContact O-CA 3.29Å; E422-K425 PolarHBondContact O-N 3.27Å; P423-K425 PolarHBondContact O-N 3.28Å; K425-E694 IonicContact NZ-OE1 2.7Å; K425-E694 PolarHBondContact NZ-OE1 3.42Å; K425-E694 IonicContact NZ-OE2 2.66Å
426	V	81.4	Confident	85.1	Confident	75 Å²	75	34.7 Å²	34.7	46%	0.455	19%	0.19	S	C	.	.			trans	-91.9	138.4	170.5	-179	0	0	0	0	109.2	E422 S424	E422-V426 PolarHBondContact N-O 3.05Å; S424-V426 PolarHBondContact O-N 3.19Å; S424-V426 WeakPolarHBondContact OG-CB 3.3Å; S424-V426 PolarHBondContact OG-N 3.23Å
427	Y	88.9	Confident	83.7	Confident	37 Å²	37	43.4 Å²	43.4	15%	0.145	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	124.5	171	-71.3	-66.5	0	0	0	110.2	E357 R361 L419 L421 P429 C492	E357-Y427 HydrophobicContact CG-CD2 4.34Å; R361-Y427 HydrophobicContact CG-CD2 4.45Å; R361-Y427 HydrophobicContact CG-CE2 3.85Å; L419-Y427 HydrophobicContact CB-CD1 3.73Å; L419-Y427 HydrophobicContact CB-CG 4.24Å; L419-Y427 HydrophobicContact CD1-CD1 4.07Å; L419-Y427 HydrophobicContact CD1-CG 4.09Å; L421-Y427 HydrophobicContact CB-CD1 4.25Å; L421-Y427 HydrophobicContact CB-CE1 4.17Å; L421-Y427 HydrophobicContact CD1-CD1 3.93Å; L421-Y427 HydrophobicContact CD1-CE1 3.85Å; L421-Y427 HydrophobicContact CD1-CG 4.43Å; L421-Y427 HydrophobicContact CD2-CE1 4.46Å; L421-Y427 HydrophobicContact CG-CE1 4.38Å; Y427-P429 VanDerWaalsContact O-CD 3.3Å; Y427-P429 WeakPolarHBondContact O-CD 3.49Å; Y427-C492 HydrophobicContact CE1-CB 4.36Å
428	Q	88.8	Confident	82	Confident	18 Å²	18	46.5 Å²	46.5	8%	0.084	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	102.8	-179.6	177.1	46.5	73.4	0	0	110.9	I420 E422 S430 H447	I420-Q428 HydrophobicContact CB-CB 4.49Å; I420-Q428 PolarHBondContact N-O 3.24Å; I420-Q428 VanDerWaalsContact N-O 3.11Å; I420-Q428 PolarHBondContact O-N 3.34Å; E422-Q428 HydrophobicContact CG-CB 4.23Å; Q428-S430 PolarHBondContact O-N 2.98Å; Q428-S430 PolarHBondContact O-OG 2.96Å; Q428-H447 WeakPolarHBondContact CG-CE1 3.34Å; Q428-H447 WeakPolarHBondContact CG-ND1 3.45Å
429	P	92.7	Very high	80.2	Confident	4 Å²	4	56.5 Å²	56.5	3%	0.026	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-44.5	118.7	172.2	-39.1	43.1	0	0	0	114.5	M395 F398 W399 L419 Y427 V448	M395-P429 HydrophobicContact CE-CB 4.1Å; M395-P429 HydrophobicContact CE-CG 3.7Å; M395-P429 HydrophobicContact SD-CB 3.83Å; M395-P429 HydrophobicContact SD-CG 4.09Å; F398-P429 HydrophobicContact CD1-CB 3.55Å; F398-P429 HydrophobicContact CD1-CG 3.92Å; F398-P429 HydrophobicContact CD2-CB 4.45Å; F398-P429 HydrophobicContact CE1-CB 3.5Å; F398-P429 HydrophobicContact CE1-CG 3.71Å; F398-P429 HydrophobicContact CE2-CB 4.37Å; F398-P429 HydrophobicContact CG-CB 4.05Å; F398-P429 HydrophobicContact CZ-CB 3.93Å; F398-P429 HydrophobicContact CZ-CG 4.45Å; W399-P429 HydrophobicContact CZ2-CG 4.36Å; L419-P429 HydrophobicContact CD2-CG 4.09Å; Y427-P429 VanDerWaalsContact O-CD 3.3Å; Y427-P429 WeakPolarHBondContact O-CD 3.49Å; P429-V448 HydrophobicContact CB-CB 4.26Å; P429-V448 HydrophobicContact CB-CG2 4.13Å; P429-V448 PolarHBondContact O-N 3.32Å
430	S	91.6	Very high	78.4	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	162.1	-172.7	-61.2	0	0	0	0	111.3	F398 V418 I420 Q428 K446 H447	F398-S430 VanDerWaalsContact CE2-O 3.23Å; F398-S430 WeakPolarHBondContact CE2-O 3.43Å; V418-S430 PolarHBondContact N-O 2.92Å; V418-S430 CarbonylContact O-C 3.56Å; V418-S430 WeakPolarHBondContact O-CA 3.37Å; V418-S430 PolarHBondContact O-N 3.08Å; I420-S430 WeakPolarHBondContact CD1-OG 3.43Å; Q428-S430 PolarHBondContact O-N 2.98Å; Q428-S430 PolarHBondContact O-OG 2.96Å; S430-K446 CarbonylContact C-O 3.55Å; S430-K446 WeakPolarHBondContact CA-O 3.32Å; S430-H447 PolarHBondContact OG-CD2 2.89Å
431	I	91.2	Very high	77.7	Confident	41 Å²	41	63 Å²	63	21%	0.21	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.6	173.5	-63.2	168.9	0	0	0	106.7	R415 L445 K446 V448	R415-I431 HydrophobicContact CG-CG2 3.61Å; I431-L445 WeakPolarHBondContact O-CA 3.36Å; I431-K446 PolarHBondContact N-O 3.04Å; I431-K446 PolarHBondContact O-N 2.63Å; I431-V448 HydrophobicContact CD1-CG2 4.5Å; I431-V448 HydrophobicContact CG1-CG2 4.3Å
432	V	90.6	Very high	77.7	Confident	3 Å²	3	61.6 Å²	61.6	2%	0.018	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	139.8	164.2	68.5	0	0	0	0	108.6	R415 C416 V418 V443 Q444 L445 F493 F502	R415-V432 CarbonylContact C-O 3.55Å; R415-V432 VanDerWaalsContact CA-O 3.28Å; R415-V432 WeakPolarHBondContact CA-O 3.45Å; C416-V432 HydrophobicContact CB-CG1 3.88Å; C416-V432 PolarHBondContact N-O 2.92Å; C416-V432 PolarHBondContact O-N 2.96Å; V418-V432 HydrophobicContact CG1-CB 4.48Å; V418-V432 HydrophobicContact CG1-CG1 3.74Å; V418-V432 HydrophobicContact CG2-CB 4.05Å; V418-V432 HydrophobicContact CG2-CG1 4.19Å; V432-V443 HydrophobicContact CG2-CG1 4Å; V432-Q444 CarbonylContact C-O 3.59Å; V432-Q444 WeakPolarHBondContact CA-O 3.32Å; V432-L445 HydrophobicContact CB-CD2 3.63Å; V432-L445 HydrophobicContact CG2-CD2 3.64Å; V432-L445 HydrophobicContact CG2-CG 4.5Å; V432-F493 HydrophobicContact CG1-CE1 4.15Å; V432-F502 HydrophobicContact CG1-CD2 4.49Å; V432-F502 HydrophobicContact CG1-CE2 4.45Å; V432-F502 HydrophobicContact CG2-CD2 4.34Å; V432-F502 HydrophobicContact CG2-CE2 3.54Å; V432-F502 HydrophobicContact CG2-CZ 4.05Å
433	S	88.5	Confident	78.1	Confident	32 Å²	32	58.6 Å²	58.6	22%	0.224	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	148.4	169.9	48	0	0	0	0	110.9	N414 Q444	N414-S433 CarbonylContact O-C 3.57Å; N414-S433 WeakPolarHBondContact O-CA 3.39Å; N414-S433 WeakPolarHBondContact O-CB 3.32Å; S433-Q444 PolarHBondContact N-O 2.7Å; S433-Q444 PolarHBondContact O-N 3.34Å
434	V	86.7	Confident	79.1	Confident	7 Å²	7	57.4 Å²	57.4	4%	0.042	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	115.3	-172.8	-174.6	0	0	0	0	109	N414 T442 V443 F502 L505 L509	N414-V434 WeakPolarHBondContact CB-O 3.49Å; N414-V434 PolarHBondContact O-N 3.37Å; V434-T442 WeakPolarHBondContact CA-O 3.46Å; V434-V443 HydrophobicContact CG1-CG2 4.27Å; V434-V443 HydrophobicContact CG2-CG1 4.43Å; V434-V443 HydrophobicContact CG2-CG2 4.22Å; V434-F502 HydrophobicContact CG2-CD2 4.24Å; V434-F502 HydrophobicContact CG2-CE2 3.88Å; V434-L505 HydrophobicContact CB-CD2 3.79Å; V434-L505 HydrophobicContact CG1-CD2 3.82Å; V434-L505 HydrophobicContact CG1-CG 4.06Å; V434-L505 HydrophobicContact CG2-CD2 3.98Å; V434-L509 HydrophobicContact CG1-CD1 3.53Å
435	S	82.1	Confident	80.1	Confident	29 Å²	29	54.1 Å²	54.1	20%	0.203	27%	0.27	C	S	.	.			trans	-91.5	110.2	176.3	-69.2	0	0	0	0	110.5	D438 R441 T442	S435-D438 WeakPolarHBondContact CB-OD2 3.2Å; S435-D438 PolarHBondContact OG-OD2 2.89Å; S435-R441 WeakPolarHBondContact O-CA 3.27Å; S435-T442 PolarHBondContact N-O 2.77Å; S435-T442 PolarHBondContact O-N 3.38Å
436	E	68.7	Low	80.7	Confident	90 Å²	90	53.6 Å²	53.6	42%	0.421	27%	0.268	S	S	.	.	S	Bend	trans	-83.8	-27.3	166	-60.4	-165.8	119.8	0	0	112.5	L505 L509	E436-L505 HydrophobicContact CG-CD1 4.3Å; E436-L505 WeakPolarHBondContact OE1-CD1 3.37Å; E436-L509 HydrophobicContact CG-CD2 4.35Å
437	E	60	Low	81	Confident	191 Å²	191	50.8 Å²	50.8	89%	0.893	25%	0.25	S	C	*	.	S	Bend	trans	-82.9	-18.2	-172.1	-61.3	178.6	176.8	0	0	114.2
438	D	55.9	Low	80.8	Confident	77 Å²	77	50.8 Å²	50.8	41%	0.412	25%	0.254	S	S	.	.	S	Bend	trans	-79.1	136.9	177.2	-73.1	-51.1	0	0	0	111.2	S435 S440 R441	S435-D438 WeakPolarHBondContact CB-OD2 3.2Å; S435-D438 PolarHBondContact OG-OD2 2.89Å; D438-S440 PolarHBondContact O-N 2.8Å; D438-R441 PolarHBondContact O-N 3.48Å
439	E	54.8	Low	80.2	Confident	209 Å²	209	51.4 Å²	51.4	98%	0.977	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-22.4	176	-64.5	-173.7	152.2	0	0	114.2
440	S	55.8	Low	78.7	Confident	68 Å²	68	55.6 Å²	55.6	48%	0.476	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-0.9	-178.8	58.9	0	0	0	0	115.2	D438 T442 P461	D438-S440 PolarHBondContact O-N 2.8Å; S440-T442 WeakPolarHBondContact OG-CG2 3.43Å; S440-P461 WeakPolarHBondContact O-CB 3.47Å
441	R	76.8	Confident	77.1	Confident	79 Å²	79	60.5 Å²	60.5	30%	0.298	31%	0.312	S	S	.	.			trans	40.3	79.1	175.9	-71.7	178.2	177.9	156	-7.3	113.6	S435 D438 A462 L509 Q512	S435-R441 WeakPolarHBondContact O-CA 3.27Å; D438-R441 PolarHBondContact O-N 3.48Å; R441-A462 HydrophobicContact CB-CB 4.28Å; R441-A462 PolarHBondContact O-N 2.88Å; R441-L509 HydrophobicContact CB-CD2 4.2Å; R441-L509 HydrophobicContact CG-CD2 4.24Å; R441-Q512 PolarHBondContact NH1-O 3.15Å
442	T	85.2	Confident	75.2	Confident	6 Å²	6	68.9 Å²	68.9	4%	0.037	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	139.5	-166.8	73.7	0	0	0	0	114.5	V434 S435 S440 Q444 T459 F460 P461	V434-T442 WeakPolarHBondContact CA-O 3.46Å; S435-T442 PolarHBondContact N-O 2.77Å; S435-T442 PolarHBondContact O-N 3.38Å; S440-T442 WeakPolarHBondContact OG-CG2 3.43Å; T442-Q444 PolarHBondContact OG1-NE2 3.18Å; T442-T459 HydrophobicContact CG2-CG2 3.91Å; T442-F460 CarbonylContact C-O 3.46Å; T442-F460 WeakPolarHBondContact CA-O 3.49Å; T442-P461 HydrophobicContact CG2-CB 4.43Å
443	V	88.3	Confident	73.4	Confident	0 Å²	0	78 Å²	78	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	122.9	160.8	179.7	0	0	0	0	107.9	V432 V434 F460 I465 L480 F502 V506 L509	V432-V443 HydrophobicContact CG2-CG1 4Å; V434-V443 HydrophobicContact CG1-CG2 4.27Å; V434-V443 HydrophobicContact CG2-CG1 4.43Å; V434-V443 HydrophobicContact CG2-CG2 4.22Å; V443-F460 PolarHBondContact N-O 3Å; V443-F460 PolarHBondContact O-N 3.12Å; V443-I465 HydrophobicContact CB-CD1 3.9Å; V443-I465 HydrophobicContact CG2-CD1 3.5Å; V443-L480 HydrophobicContact CG1-CD2 4.2Å; V443-F502 HydrophobicContact CG1-CE2 4.25Å; V443-F502 HydrophobicContact CG1-CZ 4.21Å; V443-V506 HydrophobicContact CG2-CG2 4.04Å; V443-L509 HydrophobicContact CG2-CD1 4.33Å
444	Q	88.4	Confident	72.1	Confident	51 Å²	51	79.6 Å²	79.6	24%	0.238	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	136.6	177.9	-56.9	-173.6	25.8	0	0	110.1	V432 S433 T442 W458 T459	V432-Q444 CarbonylContact C-O 3.59Å; V432-Q444 WeakPolarHBondContact CA-O 3.32Å; S433-Q444 PolarHBondContact N-O 2.7Å; S433-Q444 PolarHBondContact O-N 3.34Å; T442-Q444 PolarHBondContact OG1-NE2 3.18Å; Q444-W458 CarbonylContact C-O 3.46Å; Q444-W458 VanDerWaalsContact CA-O 3.28Å; Q444-W458 WeakPolarHBondContact CA-O 3.33Å; Q444-T459 HydrophobicContact CG-CG2 4Å
445	L	89.4	Confident	71.3	Confident	0 Å²	0	84.8 Å²	84.8	0%	0	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	135.6	170.5	-72.6	174.3	0	0	0	108.8	I420 I431 V432 Q457 W458 F460 L480 F489 L491	I420-L445 HydrophobicContact CD1-CD1 4.48Å; I431-L445 WeakPolarHBondContact O-CA 3.36Å; V432-L445 HydrophobicContact CB-CD2 3.63Å; V432-L445 HydrophobicContact CG2-CD2 3.64Å; V432-L445 HydrophobicContact CG2-CG 4.5Å; L445-Q457 CarbonylContact O-C 3.41Å; L445-Q457 VanDerWaalsContact O-CA 3.26Å; L445-Q457 WeakPolarHBondContact O-CA 3.25Å; L445-W458 HydrophobicContact CB-CE3 4.12Å; L445-W458 PolarHBondContact N-O 2.85Å; L445-W458 PolarHBondContact O-N 3.2Å; L445-F460 HydrophobicContact CD1-CE2 4.21Å; L445-L480 HydrophobicContact CD1-CD2 4.31Å; L445-F489 HydrophobicContact CD1-CB 4.18Å; L445-F489 HydrophobicContact CD1-CD1 3.68Å; L445-F489 HydrophobicContact CD1-CD2 4.27Å; L445-F489 HydrophobicContact CD1-CE1 4.1Å; L445-F489 HydrophobicContact CD1-CG 3.78Å; L445-L491 HydrophobicContact CD1-CD2 4.01Å; L445-L491 HydrophobicContact CD2-CD1 4.14Å; L445-L491 HydrophobicContact CD2-CD2 3.82Å
446	K	88.8	Confident	71.1	Confident	108 Å²	108	85.4 Å²	85.4	47%	0.47	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	127.3	-179.4	-176.4	172.8	-174.3	147	0	112.3	S430 I431 H456 Q457	S430-K446 CarbonylContact C-O 3.55Å; S430-K446 WeakPolarHBondContact CA-O 3.32Å; I431-K446 PolarHBondContact N-O 3.04Å; I431-K446 PolarHBondContact O-N 2.63Å; K446-H456 WeakPolarHBondContact CA-O 3.45Å; K446-Q457 HydrophobicContact CB-CG 4.23Å; K446-Q457 HydrophobicContact CD-CG 4.42Å; K446-Q457 HydrophobicContact CG-CB 4.28Å; K446-Q457 HydrophobicContact CG-CG 4.29Å
447	H	88.9	Confident	71.8	Confident	16 Å²	16	85.1 Å²	85.1	7%	0.074	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	142.9	174	-66.9	-167.8	0	0	0	110.7	Q428 S430 H456 W458	Q428-H447 WeakPolarHBondContact CG-CE1 3.34Å; Q428-H447 WeakPolarHBondContact CG-ND1 3.45Å; S430-H447 PolarHBondContact OG-CD2 2.89Å; H447-H456 HydrophobicContact CB-CB 4.34Å; H447-H456 PolarHBondContact N-O 3.27Å; H447-H456 AromaticContact ND1-ND1 3.84Å; H447-W458 AromaticContact CD2-CZ3 3.65Å; H447-W458 AromaticContact CE1-CH2 3.93Å; H447-W458 AromaticContact NE2-CH2 3.43Å; H447-W458 WeakPolarHBondContact NE2-CH2 3.48Å; H447-W458 AromaticContact NE2-CZ3 3.44Å; H447-W458 WeakPolarHBondContact NE2-CZ3 3.43Å
448	V	83.8	Confident	73.1	Confident	37 Å²	37	77.8 Å²	77.8	22%	0.224	40%	0.397	C	S	.	.	S	Bend	trans	-67.9	-46.7	-179.9	175.1	0	0	0	0	111.3	D394 M395 F398 P429 I431	D394-V448 HydrophobicContact CB-CG1 4.29Å; M395-V448 HydrophobicContact SD-CB 4.2Å; M395-V448 HydrophobicContact SD-CG1 4.13Å; F398-V448 HydrophobicContact CB-CG1 4.11Å; F398-V448 HydrophobicContact CB-CG2 4.04Å; F398-V448 HydrophobicContact CD2-CG2 3.55Å; F398-V448 HydrophobicContact CE2-CG2 4.24Å; F398-V448 HydrophobicContact CG-CG2 3.85Å; P429-V448 HydrophobicContact CB-CB 4.26Å; P429-V448 HydrophobicContact CB-CG2 4.13Å; P429-V448 PolarHBondContact O-N 3.32Å; I431-V448 HydrophobicContact CD1-CG2 4.5Å; I431-V448 HydrophobicContact CG1-CG2 4.3Å
449	T	76.4	Confident	74.6	Confident	32 Å²	32	77.5 Å²	77.5	20%	0.196	40%	0.398	C	S	.	.	S	Bend	trans	-122	123.4	170.2	54.3	0	0	0	0	110.1	P391 M395	P391-T449 HydrophobicContact CB-CG2 4.08Å; P391-T449 WeakPolarHBondContact O-CG2 3.44Å; M395-T449 HydrophobicContact CG-CG2 3.68Å; M395-T449 HydrophobicContact SD-CG2 4.09Å; M395-T449 PolarHBondContact SD-OG1 2.6Å
450	P	61.1	Low	76.1	Confident	91 Å²	91	68.3 Å²	68.3	59%	0.591	35%	0.354	S	S	*	.			trans	-70.8	132.6	175	28.8	-33.5	0	0	0	110.9	H456	P450-H456 HydrophobicContact CB-CB 4.12Å; P450-H456 WeakPolarHBondContact CB-CD2 3.41Å
451	L	57.3	Low	77.5	Confident	104 Å²	104	66.5 Å²	66.5	55%	0.545	34%	0.341	S	S	.	.			trans	-68.1	160.9	164.5	-75	162.9	0	0	0	109.5	K453 H456	L451-K453 PolarHBondContact O-N 3.1Å; L451-H456 PolarHBondContact O-NE2 3.33Å
452	K	51.8	Low	77.7	Confident	217 Å²	217	63 Å²	63	94%	0.943	33%	0.329	S	S	*	.	S	Bend	trans	-70.8	-0.2	-170.5	-69	-171.7	177	-177.3	0	115.5
453	K	53.4	Low	77.4	Confident	194 Å²	194	68.1 Å²	68.1	84%	0.843	36%	0.36	S	S	*	.	S	Bend	trans	-152.7	139.9	172.5	-66.2	-172.4	178.7	-178.1	0	109.4	L451 H456	L451-K453 PolarHBondContact O-N 3.1Å; K453-H456 PolarHBondContact O-CE1 2.74Å
454	G	60.6	Low	77	Confident	65 Å²	65	72.7 Å²	72.7	67%	0.67	38%	0.38	S	S	*	.	S	Bend	trans	139.3	-178.4	171.7	0	0	0	0	0	113.2	H456	G454-H456 PolarHBondContact O-NE2 2.94Å
455	L	69.2	Low	76.4	Confident	116 Å²	116	70.6 Å²	70.6	61%	0.607	37%	0.371	S	S	*	.			trans	-91.1	140.2	158.9	-148.7	78.3	0	0	0	108	W458	L455-W458 HydrophobicContact CB-CZ2 4.15Å; L455-W458 HydrophobicContact CD2-CD2 4.39Å; L455-W458 HydrophobicContact CD2-CG 4.26Å; L455-W458 VanDerWaalsContact O-CH2 3.25Å; L455-W458 WeakPolarHBondContact O-CH2 3.4Å
456	H	77.7	Confident	75.6	Confident	42 Å²	42	72.6 Å²	72.6	19%	0.194	38%	0.378	C	S	.	.			trans	-134.7	0.7	-172.6	-54.2	-48.2	0	0	0	113.3	K446 H447 P450 L451 K453 G454	K446-H456 WeakPolarHBondContact CA-O 3.45Å; H447-H456 HydrophobicContact CB-CB 4.34Å; H447-H456 PolarHBondContact N-O 3.27Å; H447-H456 AromaticContact ND1-ND1 3.84Å; P450-H456 HydrophobicContact CB-CB 4.12Å; P450-H456 WeakPolarHBondContact CB-CD2 3.41Å; L451-H456 PolarHBondContact O-NE2 3.33Å; K453-H456 PolarHBondContact O-CE1 2.74Å; G454-H456 PolarHBondContact O-NE2 2.94Å
457	Q	85.3	Confident	74.8	Confident	85 Å²	85	68 Å²	68	40%	0.397	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	133.1	173.1	-176.7	171.4	-25	0	0	108.5	L445 K446	L445-Q457 CarbonylContact O-C 3.41Å; L445-Q457 VanDerWaalsContact O-CA 3.26Å; L445-Q457 WeakPolarHBondContact O-CA 3.25Å; K446-Q457 HydrophobicContact CB-CG 4.23Å; K446-Q457 HydrophobicContact CD-CG 4.42Å; K446-Q457 HydrophobicContact CG-CB 4.28Å; K446-Q457 HydrophobicContact CG-CG 4.29Å
458	W	86.9	Confident	74.5	Confident	37 Å²	37	68.2 Å²	68.2	14%	0.14	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144.5	176.2	-59.3	-106.2	0	0	0	109	Q444 L445 H447 L455 F460 F489	Q444-W458 CarbonylContact C-O 3.46Å; Q444-W458 VanDerWaalsContact CA-O 3.28Å; Q444-W458 WeakPolarHBondContact CA-O 3.33Å; L445-W458 HydrophobicContact CB-CE3 4.12Å; L445-W458 PolarHBondContact N-O 2.85Å; L445-W458 PolarHBondContact O-N 3.2Å; H447-W458 AromaticContact CD2-CZ3 3.65Å; H447-W458 AromaticContact CE1-CH2 3.93Å; H447-W458 AromaticContact NE2-CH2 3.43Å; H447-W458 WeakPolarHBondContact NE2-CH2 3.48Å; H447-W458 AromaticContact NE2-CZ3 3.44Å; H447-W458 WeakPolarHBondContact NE2-CZ3 3.43Å; L455-W458 HydrophobicContact CB-CZ2 4.15Å; L455-W458 HydrophobicContact CD2-CD2 4.39Å; L455-W458 HydrophobicContact CD2-CG 4.26Å; L455-W458 VanDerWaalsContact O-CH2 3.25Å; L455-W458 WeakPolarHBondContact O-CH2 3.4Å; W458-F460 HydrophobicContact CB-CD2 4.45Å; W458-F460 HydrophobicContact CB-CE1 4.04Å; W458-F460 HydrophobicContact CB-CE2 3.68Å; W458-F460 HydrophobicContact CB-CZ 3.44Å; W458-F460 VanDerWaalsContact CB-CZ 3.44Å; W458-F460 AromaticContact CD1-CZ 3.64Å; W458-F460 HydrophobicContact CG-CE1 4.46Å; W458-F460 HydrophobicContact CG-CE2 4.3Å; W458-F460 AromaticContact CG-CZ 3.75Å; W458-F460 HydrophobicContact CG-CZ 3.75Å; W458-F489 AromaticContact CD1-CZ 3.84Å; W458-F489 HydrophobicContact CD2-CE1 4.14Å; W458-F489 HydrophobicContact CD2-CZ 4.1Å; W458-F489 AromaticContact CE2-CE1 3.95Å; W458-F489 AromaticContact CE2-CZ 3.86Å; W458-F489 HydrophobicContact CE3-CE1 4.48Å; W458-F489 HydrophobicContact CG-CZ 4.12Å; W458-F489 HydrophobicContact CZ2-CE1 4.19Å; W458-F489 HydrophobicContact CZ2-CZ 4.46Å; W458-F489 AromaticContact NE1-CZ 3.66Å
459	T	87	Confident	74.2	Confident	70 Å²	70	69.1 Å²	69.1	43%	0.429	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	114.2	173.2	-63	0	0	0	0	108.1	T442 Q444	T442-T459 HydrophobicContact CG2-CG2 3.91Å; Q444-T459 HydrophobicContact CG-CG2 4Å
460	F	86.4	Confident	74.2	Confident	16 Å²	16	69.5 Å²	69.5	7%	0.07	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	109.2	-178.9	-53.8	-59.5	0	0	0	109.5	T442 V443 L445 W458 I465 L480 V482 F489	T442-F460 CarbonylContact C-O 3.46Å; T442-F460 WeakPolarHBondContact CA-O 3.49Å; V443-F460 PolarHBondContact N-O 3Å; V443-F460 PolarHBondContact O-N 3.12Å; L445-F460 HydrophobicContact CD1-CE2 4.21Å; W458-F460 HydrophobicContact CB-CD2 4.45Å; W458-F460 HydrophobicContact CB-CE1 4.04Å; W458-F460 HydrophobicContact CB-CE2 3.68Å; W458-F460 HydrophobicContact CB-CZ 3.44Å; W458-F460 VanDerWaalsContact CB-CZ 3.44Å; W458-F460 AromaticContact CD1-CZ 3.64Å; W458-F460 HydrophobicContact CG-CE1 4.46Å; W458-F460 HydrophobicContact CG-CE2 4.3Å; W458-F460 AromaticContact CG-CZ 3.75Å; W458-F460 HydrophobicContact CG-CZ 3.75Å; F460-I465 HydrophobicContact CB-CD1 4.2Å; F460-I465 HydrophobicContact CB-CG1 3.92Å; F460-L480 HydrophobicContact CD2-CD2 4.34Å; F460-V482 HydrophobicContact CD1-CG1 3.68Å; F460-V482 HydrophobicContact CD1-CG2 4.23Å; F460-V482 HydrophobicContact CD2-CG2 4.28Å; F460-V482 HydrophobicContact CE1-CB 4.5Å; F460-V482 HydrophobicContact CE1-CG1 3.72Å; F460-V482 HydrophobicContact CE1-CG2 4.11Å; F460-V482 HydrophobicContact CE2-CG2 4.14Å; F460-V482 HydrophobicContact CG-CG1 4.4Å; F460-V482 HydrophobicContact CG-CG2 4.31Å; F460-V482 HydrophobicContact CZ-CG1 4.45Å; F460-V482 HydrophobicContact CZ-CG2 4.06Å; F460-F489 HydrophobicContact CE2-CD2 4.33Å; F460-F489 AromaticContact CE2-CE2 3.83Å; F460-F489 HydrophobicContact CE2-CE2 3.83Å; F460-F489 HydrophobicContact CE2-CZ 4.26Å; F460-F489 HydrophobicContact CZ-CD2 4.38Å; F460-F489 AromaticContact CZ-CE2 3.49Å; F460-F489 HydrophobicContact CZ-CE2 3.49Å; F460-F489 VanDerWaalsContact CZ-CE2 3.49Å; F460-F489 AromaticContact CZ-CZ 3.83Å; F460-F489 HydrophobicContact CZ-CZ 3.83Å
461	P	84.5	Confident	75	Confident	31 Å²	31	65.7 Å²	65.7	20%	0.201	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	152.4	165.9	30.6	-35	0	0	0	109.6	S440 T442 T463 K464	S440-P461 WeakPolarHBondContact O-CB 3.47Å; T442-P461 HydrophobicContact CG2-CB 4.43Å; P461-T463 PolarHBondContact O-N 3.35Å; P461-K464 HydrophobicContact CG-CB 4.26Å; P461-K464 HydrophobicContact CG-CD 4.1Å; P461-K464 HydrophobicContact CG-CG 4.03Å; P461-K464 PolarHBondContact O-N 3.08Å
462	A	81.5	Confident	75.4	Confident	5 Å²	5	67.4 Å²	67.4	4%	0.041	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-49	-39.4	-177.7	0	0	0	0	0	113.4	R441 K464 I465 L509 A513	R441-A462 HydrophobicContact CB-CB 4.28Å; R441-A462 PolarHBondContact O-N 2.88Å; A462-K464 PolarHBondContact O-N 3Å; A462-K464 VanDerWaalsContact O-N 3.09Å; A462-I465 PolarHBondContact O-N 3.41Å; A462-L509 HydrophobicContact CB-CB 4.41Å; A462-A513 HydrophobicContact CB-CB 4.39Å
463	T	78.7	Confident	76.1	Confident	113 Å²	113	63 Å²	63	69%	0.693	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-63.6	-12	177.6	55.8	0	0	0	0	115.5	P461	P461-T463 PolarHBondContact O-N 3.35Å
464	K	78.8	Confident	77.3	Confident	96 Å²	96	54.8 Å²	54.8	42%	0.417	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-104.1	-4.2	173.4	-70.2	-171.6	175.6	-177.6	0	113.3	P461 A462 V482 H483 Y484	P461-K464 HydrophobicContact CG-CB 4.26Å; P461-K464 HydrophobicContact CG-CD 4.1Å; P461-K464 HydrophobicContact CG-CG 4.03Å; P461-K464 PolarHBondContact O-N 3.08Å; A462-K464 PolarHBondContact O-N 3Å; A462-K464 VanDerWaalsContact O-N 3.09Å; K464-V482 CarbonylContact O-C 3.24Å; K464-V482 WeakPolarHBondContact O-CA 3.21Å; K464-V482 WeakPolarHBondContact O-CG1 3.49Å; K464-H483 PolarHBondContact O-N 3.08Å; K464-Y484 HydrophobicContact CD-CD2 4.03Å; K464-Y484 HydrophobicContact CD-CE2 4.42Å; K464-Y484 HydrophobicContact CG-CD2 4.03Å; K464-Y484 HydrophobicContact CG-CE2 4.13Å
465	I	77.3	Confident	78.4	Confident	7 Å²	7	56.4 Å²	56.4	4%	0.036	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	126.9	177.8	-60.1	173.9	0	0	0	108.3	V443 F460 A462 L480 V506 L510	V443-I465 HydrophobicContact CB-CD1 3.9Å; V443-I465 HydrophobicContact CG2-CD1 3.5Å; F460-I465 HydrophobicContact CB-CD1 4.2Å; F460-I465 HydrophobicContact CB-CG1 3.92Å; A462-I465 PolarHBondContact O-N 3.41Å; I465-L480 HydrophobicContact CG2-CD1 3.83Å; I465-V506 HydrophobicContact CG2-CG1 3.99Å; I465-L510 HydrophobicContact CB-CD2 4.06Å; I465-L510 HydrophobicContact CG2-CD1 4.28Å; I465-L510 HydrophobicContact CG2-CD2 4.19Å; I465-L510 WeakPolarHBondContact O-CD2 3.4Å
466	R	72.4	Confident	79.3	Confident	43 Å²	43	52.4 Å²	52.4	16%	0.162	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-13.7	-176.6	175.3	176.6	166.8	-116.6	-9	112.9	Y481 R588	R466-Y481 PolarHBondContact N-O 3.45Å; R466-R588 PolarHBondContact O-NH2 3.44Å
467	G	72.7	Confident	79.9	Confident	12 Å²	12	50.4 Å²	50.4	12%	0.124	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147.2	178.8	-177.4	0	0	0	0	0	112	Y481	G467-Y481 WeakPolarHBondContact O-CD2 3.41Å; G467-Y481 PolarHBondContact O-N 3.05Å
468	V	81.3	Confident	79.9	Confident	19 Å²	19	46.4 Å²	46.4	12%	0.115	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	148.2	169.7	65.8	0	0	0	0	108.9	C478 F479 F502 C503 V506	V468-C478 HydrophobicContact CG2-CB 4.23Å; V468-F479 CarbonylContact C-O 3.46Å; V468-F479 WeakPolarHBondContact CA-O 3.27Å; V468-F502 HydrophobicContact CG2-CD1 4.36Å; V468-F502 HydrophobicContact CG2-CE1 4.1Å; V468-C503 HydrophobicContact CG1-CB 4.08Å; V468-C503 WeakPolarHBondContact CG1-O 3.42Å; V468-C503 HydrophobicContact CG2-CB 4.42Å; V468-V506 HydrophobicContact CB-CB 4.37Å; V468-V506 HydrophobicContact CB-CG1 4.04Å; V468-V506 HydrophobicContact CG1-CB 4.02Å; V468-V506 HydrophobicContact CG1-CG1 3.99Å
469	S	76.9	Confident	79.8	Confident	56 Å²	56	46.1 Å²	46.1	39%	0.392	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	128.6	174.4	-173.1	0	0	0	0	111.7	C478 F479	S469-C478 CarbonylContact O-C 3.47Å; S469-C478 VanDerWaalsContact O-CA 3.22Å; S469-C478 WeakPolarHBondContact O-CA 3.36Å; S469-C478 VanDerWaalsContact O-CB 3.29Å; S469-C478 WeakPolarHBondContact O-CB 3.31Å; S469-F479 PolarHBondContact N-O 3.03Å; S469-F479 PolarHBondContact O-N 3.42Å
470	A	77.8	Confident	79.6	Confident	41 Å²	41	42.8 Å²	42.8	34%	0.339	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	143.3	169.8	0	0	0	0	0	110.9
471	S	77.1	Confident	79.2	Confident	10 Å²	10	44.4 Å²	44.4	7%	0.07	23%	0.232	C	C	.	.			trans	-73.8	145.8	175.8	178.1	0	0	0	0	111.1	I473 D474 S477	S471-I473 PolarHBondContact OG-N 3.32Å; S471-D474 PolarHBondContact OG-N 3.17Å; S471-S477 VanDerWaalsContact CB-O 3.23Å; S471-S477 WeakPolarHBondContact CB-O 3.35Å; S471-S477 WeakPolarHBondContact CB-OG 3.49Å; S471-S477 PolarHBondContact N-O 2.98Å
472	K	65.8	Low	78.9	Confident	141 Å²	141	43.5 Å²	43.5	61%	0.613	23%	0.226	S	C	*	.	S	Bend	trans	-90.4	-6.9	174	-61.5	-65.8	-171.7	167.4	0	113.3
473	I	67.8	Low	77.9	Confident	124 Å²	124	48.1 Å²	48.1	64%	0.636	25%	0.247	S	C	*	.	S	Bend	trans	-103.7	-35.8	-176.6	-58.6	178.7	0	0	0	111.9	S471	S471-I473 PolarHBondContact OG-N 3.32Å
474	D	78.6	Confident	76.7	Confident	22 Å²	22	51.7 Å²	51.7	12%	0.118	25%	0.249	C	C	.	.			trans	-136.7	107.1	168.6	-164.7	-3.6	0	0	0	109.4	K363 S471 R476 S477	K363-D474 WeakPolarHBondContact CE-OD1 3.49Å; K363-D474 WeakPolarHBondContact CE-OD2 3.4Å; K363-D474 IonicContact NZ-OD1 3.78Å; K363-D474 PolarHBondContact NZ-OD1 2.88Å; K363-D474 IonicContact NZ-OD2 2.81Å; S471-D474 PolarHBondContact OG-N 3.17Å; D474-R476 PolarHBondContact O-N 2.69Å; D474-R476 IonicContact OD1-CZ 2.7Å; D474-R476 PolarHBondContact OD1-N 3.41Å; D474-R476 IonicContact OD1-NE 2.74Å; D474-R476 PolarHBondContact OD1-NE 3.25Å; D474-R476 VanDerWaalsContact OD1-NE 3.11Å; D474-R476 IonicContact OD1-NH2 3.31Å; D474-R476 IonicContact OD2-CZ 3.22Å; D474-R476 IonicContact OD2-NE 2.94Å; D474-R476 PolarHBondContact OD2-NE 2.86Å; D474-R476 VanDerWaalsContact OD2-NE 3.17Å; D474-R476 IonicContact OD2-NH2 3.97Å; D474-R476 PolarHBondContact OD2-NH2 2.89Å; D474-S477 PolarHBondContact O-N 3.49Å; D474-S477 PolarHBondContact O-OG 3.35Å
475	E	82.4	Confident	75.5	Confident	99 Å²	99	49.4 Å²	49.4	46%	0.463	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-16.3	-177.1	-52.8	176	124.5	0	0	112.9	S477 E496	E475-S477 VanDerWaalsContact C-N 3.25Å; E475-S477 PolarHBondContact O-N 3.17Å; E475-E496 HydrophobicContact CB-CB 4.34Å; E475-E496 HydrophobicContact CB-CG 4.01Å
476	R	88.9	Confident	74	Confident	31 Å²	31	52 Å²	52	12%	0.117	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-1.9	171.1	-53	178.3	-61.9	164.6	7.1	113.5	Y360 D474 F493	Y360-R476 PolarHBondContact O-NH1 3.29Å; Y360-R476 PolarHBondContact O-NH2 3.28Å; D474-R476 PolarHBondContact O-N 2.69Å; D474-R476 IonicContact OD1-CZ 2.7Å; D474-R476 PolarHBondContact OD1-N 3.41Å; D474-R476 IonicContact OD1-NE 2.74Å; D474-R476 PolarHBondContact OD1-NE 3.25Å; D474-R476 VanDerWaalsContact OD1-NE 3.11Å; D474-R476 IonicContact OD1-NH2 3.31Å; D474-R476 IonicContact OD2-CZ 3.22Å; D474-R476 IonicContact OD2-NE 2.94Å; D474-R476 PolarHBondContact OD2-NE 2.86Å; D474-R476 VanDerWaalsContact OD2-NE 3.17Å; D474-R476 IonicContact OD2-NH2 3.97Å; D474-R476 PolarHBondContact OD2-NH2 2.89Å; R476-F493 WeakPolarHBondContact O-CB 3.42Å; R476-F493 PolarHBondContact O-N 2.73Å
477	S	89.1	Confident	73.2	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.007	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	147.5	-172.5	67.9	0	0	0	0	113.9	S471 D474 E475 L491 C499	S471-S477 VanDerWaalsContact CB-O 3.23Å; S471-S477 WeakPolarHBondContact CB-O 3.35Å; S471-S477 WeakPolarHBondContact CB-OG 3.49Å; S471-S477 PolarHBondContact N-O 2.98Å; D474-S477 PolarHBondContact O-N 3.49Å; D474-S477 PolarHBondContact O-OG 3.35Å; E475-S477 VanDerWaalsContact C-N 3.25Å; E475-S477 PolarHBondContact O-N 3.17Å; S477-L491 CarbonylContact C-O 3.58Å; S477-L491 WeakPolarHBondContact CA-O 3.48Å; S477-L491 WeakPolarHBondContact CB-O 3.46Å; S477-C499 PolarHBondContact O-SG 2.62Å; S477-C499 VanDerWaalsContact O-SG 3.36Å
478	C	86.5	Confident	73.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	162.6	173.3	78.2	0	0	0	0	112	V468 S469 Q490 L491	V468-C478 HydrophobicContact CG2-CB 4.23Å; S469-C478 CarbonylContact O-C 3.47Å; S469-C478 VanDerWaalsContact O-CA 3.22Å; S469-C478 WeakPolarHBondContact O-CA 3.36Å; S469-C478 VanDerWaalsContact O-CB 3.29Å; S469-C478 WeakPolarHBondContact O-CB 3.31Å; C478-Q490 CarbonylContact O-C 3.55Å; C478-Q490 WeakPolarHBondContact O-CA 3.42Å; C478-L491 PolarHBondContact N-O 3.36Å; C478-L491 PolarHBondContact O-N 3.46Å
479	F	84.3	Confident	73.3	Confident	32 Å²	32	54.3 Å²	54.3	14%	0.14	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125.8	170.9	-61.2	-87.4	0	0	0	109.3	V468 S469 Y481 F489 Q490	V468-F479 CarbonylContact C-O 3.46Å; V468-F479 WeakPolarHBondContact CA-O 3.27Å; S469-F479 PolarHBondContact N-O 3.03Å; S469-F479 PolarHBondContact O-N 3.42Å; F479-Y481 HydrophobicContact CB-CE1 4.32Å; F479-Y481 HydrophobicContact CB-CE2 3.83Å; F479-Y481 WeakPolarHBondContact O-CE2 3.28Å; F479-F489 WeakPolarHBondContact CA-O 3.47Å; F479-Q490 HydrophobicContact CD1-CB 3.93Å; F479-Q490 HydrophobicContact CD1-CG 4.15Å; F479-Q490 HydrophobicContact CE1-CB 3.72Å; F479-Q490 HydrophobicContact CE1-CG 3.68Å; F479-Q490 HydrophobicContact CZ-CG 4Å
480	L	83.2	Confident	73.8	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	115.5	172.4	177.3	68.2	0	0	0	109.2	V443 L445 F460 I465 F489 L491 V506	V443-L480 HydrophobicContact CG1-CD2 4.2Å; L445-L480 HydrophobicContact CD1-CD2 4.31Å; F460-L480 HydrophobicContact CD2-CD2 4.34Å; I465-L480 HydrophobicContact CG2-CD1 3.83Å; L480-F489 HydrophobicContact CB-CB 4.34Å; L480-F489 PolarHBondContact N-O 3.44Å; L480-F489 PolarHBondContact O-N 3.36Å; L480-L491 HydrophobicContact CB-CD1 4.34Å; L480-L491 HydrophobicContact CD2-CD1 4.45Å; L480-V506 HydrophobicContact CD1-CG1 4.28Å
481	Y	78.2	Confident	74.4	Confident	50 Å²	50	52 Å²	52	20%	0.196	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	135.4	-175.3	-55.4	-90	0	0	0	110.6	R466 G467 F479 D488	R466-Y481 PolarHBondContact N-O 3.45Å; G467-Y481 WeakPolarHBondContact O-CD2 3.41Å; G467-Y481 PolarHBondContact O-N 3.05Å; F479-Y481 HydrophobicContact CB-CE1 4.32Å; F479-Y481 HydrophobicContact CB-CE2 3.83Å; F479-Y481 WeakPolarHBondContact O-CE2 3.28Å; Y481-D488 WeakPolarHBondContact CA-OD1 3.31Å; Y481-D488 HydrophobicContact CD1-CB 4.12Å; Y481-D488 WeakPolarHBondContact CD1-OD1 3.47Å; Y481-D488 VanDerWaalsContact CD1-OD2 3.24Å; Y481-D488 WeakPolarHBondContact CD1-OD2 3.47Å; Y481-D488 HydrophobicContact CE1-CB 4.36Å; Y481-D488 WeakPolarHBondContact CE1-OD2 3.19Å
482	V	78.6	Confident	75.2	Confident	11 Å²	11	51.7 Å²	51.7	7%	0.067	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	139.9	-174.4	-175.1	0	0	0	0	111.3	F460 K464 Y484 N485 F489	F460-V482 HydrophobicContact CD1-CG1 3.68Å; F460-V482 HydrophobicContact CD1-CG2 4.23Å; F460-V482 HydrophobicContact CD2-CG2 4.28Å; F460-V482 HydrophobicContact CE1-CB 4.5Å; F460-V482 HydrophobicContact CE1-CG1 3.72Å; F460-V482 HydrophobicContact CE1-CG2 4.11Å; F460-V482 HydrophobicContact CE2-CG2 4.14Å; F460-V482 HydrophobicContact CG-CG1 4.4Å; F460-V482 HydrophobicContact CG-CG2 4.31Å; F460-V482 HydrophobicContact CZ-CG1 4.45Å; F460-V482 HydrophobicContact CZ-CG2 4.06Å; K464-V482 CarbonylContact O-C 3.24Å; K464-V482 WeakPolarHBondContact O-CA 3.21Å; K464-V482 WeakPolarHBondContact O-CG1 3.49Å; V482-Y484 VanDerWaalsContact C-N 3.33Å; V482-Y484 PolarHBondContact O-N 2.86Å; V482-N485 HydrophobicContact CB-CB 4.08Å; V482-N485 HydrophobicContact CG1-CB 4.19Å; V482-F489 HydrophobicContact CG2-CD2 4.42Å; V482-F489 HydrophobicContact CG2-CE2 4.38Å
483	H	59.3	Low	76.4	Confident	102 Å²	102	45 Å²	45	47%	0.472	22%	0.216	S	C	.	.	S	Bend	trans	-69.5	-19.5	-171.9	-91.7	-90.7	0	0	0	116.2	K464	K464-H483 PolarHBondContact O-N 3.08Å
484	Y	54.8	Low	77.5	Confident	188 Å²	188	39.3 Å²	39.3	74%	0.737	19%	0.187	S	C	*	.	S	Bend	trans	-136.1	8.1	-172.1	-60	-77.1	0	0	0	114	K464 V482	K464-Y484 HydrophobicContact CD-CD2 4.03Å; K464-Y484 HydrophobicContact CD-CE2 4.42Å; K464-Y484 HydrophobicContact CG-CD2 4.03Å; K464-Y484 HydrophobicContact CG-CE2 4.13Å; V482-Y484 VanDerWaalsContact C-N 3.33Å; V482-Y484 PolarHBondContact O-N 2.86Å
485	N	53.5	Low	78	Confident	49 Å²	49	39.1 Å²	39.1	26%	0.262	19%	0.187	S	C	.	.			trans	-100.1	141.5	169.4	-156.3	54.5	0	0	0	107.1	V482 D487 F489	V482-N485 HydrophobicContact CB-CB 4.08Å; V482-N485 HydrophobicContact CG1-CB 4.19Å; N485-D487 PolarHBondContact ND2-N 3.31Å; N485-D487 PolarHBondContact ND2-O 3.34Å; N485-D487 PolarHBondContact O-N 2.93Å; N485-F489 WeakPolarHBondContact ND2-CE2 3.41Å
486	S	46.1	Very low	78.2	Confident	62 Å²	62	36.6 Å²	36.6	43%	0.434	18%	0.176	S	C	.	.	S	Bend	trans	-62.8	-25.6	171	33.4	0	0	0	0	112.1	A687 G688	S486-A687 CarbonylContact O-C 3.52Å; S486-A687 VanDerWaalsContact O-C 3.3Å; S486-G688 VanDerWaalsContact O-CA 3.25Å; S486-G688 WeakPolarHBondContact O-CA 3.46Å; S486-G688 PolarHBondContact O-N 2.95Å
487	D	54.6	Low	77.9	Confident	32 Å²	32	39.1 Å²	39.1	17%	0.171	19%	0.191	C	C	.	.	S	Bend	trans	-118.5	126.6	-163	-54.1	-78.7	0	0	0	112.2	N485 I689	N485-D487 PolarHBondContact ND2-N 3.31Å; N485-D487 PolarHBondContact ND2-O 3.34Å; N485-D487 PolarHBondContact O-N 2.93Å; D487-I689 VanDerWaalsContact CG-CD1 3.5Å; D487-I689 VanDerWaalsContact OD1-CB 3.22Å; D487-I689 WeakPolarHBondContact OD1-CB 3.48Å; D487-I689 WeakPolarHBondContact OD1-CD1 3.47Å; D487-I689 WeakPolarHBondContact OD1-CG1 3.28Å; D487-I689 PolarHBondContact OD1-N 2.52Å; D487-I689 WeakPolarHBondContact OD2-CD1 3.33Å; D487-I689 WeakPolarHBondContact OD2-CG1 3.41Å
488	D	74.3	Confident	77.9	Confident	73 Å²	73	39.3 Å²	39.3	39%	0.39	19%	0.191	S	C	.	.			trans	-77.5	131.8	168.8	-62.5	-40.4	0	0	0	109.3	Y481 Q490	Y481-D488 WeakPolarHBondContact CA-OD1 3.31Å; Y481-D488 HydrophobicContact CD1-CB 4.12Å; Y481-D488 WeakPolarHBondContact CD1-OD1 3.47Å; Y481-D488 VanDerWaalsContact CD1-OD2 3.24Å; Y481-D488 WeakPolarHBondContact CD1-OD2 3.47Å; Y481-D488 HydrophobicContact CE1-CB 4.36Å; Y481-D488 WeakPolarHBondContact CE1-OD2 3.19Å; D488-Q490 PolarHBondContact O-N 3.07Å
489	F	82	Confident	78	Confident	16 Å²	16	39.3 Å²	39.3	7%	0.07	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	112.8	-177.1	-65	-98.2	0	0	0	110.2	I420 L445 W458 F460 F479 L480 V482 N485 L491	I420-F489 HydrophobicContact CD1-CD1 4.3Å; I420-F489 HydrophobicContact CG2-CD1 4.39Å; L445-F489 HydrophobicContact CD1-CB 4.18Å; L445-F489 HydrophobicContact CD1-CD1 3.68Å; L445-F489 HydrophobicContact CD1-CD2 4.27Å; L445-F489 HydrophobicContact CD1-CE1 4.1Å; L445-F489 HydrophobicContact CD1-CG 3.78Å; W458-F489 AromaticContact CD1-CZ 3.84Å; W458-F489 HydrophobicContact CD2-CE1 4.14Å; W458-F489 HydrophobicContact CD2-CZ 4.1Å; W458-F489 AromaticContact CE2-CE1 3.95Å; W458-F489 AromaticContact CE2-CZ 3.86Å; W458-F489 HydrophobicContact CE3-CE1 4.48Å; W458-F489 HydrophobicContact CG-CZ 4.12Å; W458-F489 HydrophobicContact CZ2-CE1 4.19Å; W458-F489 HydrophobicContact CZ2-CZ 4.46Å; W458-F489 AromaticContact NE1-CZ 3.66Å; F460-F489 HydrophobicContact CE2-CD2 4.33Å; F460-F489 AromaticContact CE2-CE2 3.83Å; F460-F489 HydrophobicContact CE2-CE2 3.83Å; F460-F489 HydrophobicContact CE2-CZ 4.26Å; F460-F489 HydrophobicContact CZ-CD2 4.38Å; F460-F489 AromaticContact CZ-CE2 3.49Å; F460-F489 HydrophobicContact CZ-CE2 3.49Å; F460-F489 VanDerWaalsContact CZ-CE2 3.49Å; F460-F489 AromaticContact CZ-CZ 3.83Å; F460-F489 HydrophobicContact CZ-CZ 3.83Å; F479-F489 WeakPolarHBondContact CA-O 3.47Å; L480-F489 HydrophobicContact CB-CB 4.34Å; L480-F489 PolarHBondContact N-O 3.44Å; L480-F489 PolarHBondContact O-N 3.36Å; V482-F489 HydrophobicContact CG2-CD2 4.42Å; V482-F489 HydrophobicContact CG2-CE2 4.38Å; N485-F489 WeakPolarHBondContact ND2-CE2 3.41Å; F489-L491 HydrophobicContact CB-CD2 3.93Å; F489-L491 HydrophobicContact CB-CG 4.29Å; F489-L491 PolarHBondContact O-N 3.3Å
490	Q	87.6	Confident	78	Confident	50 Å²	50	42.7 Å²	42.7	23%	0.234	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	100	167.5	-170.9	173.1	-3.5	0	0	109.8	L421 C478 F479 D488	L421-Q490 HydrophobicContact CB-CB 4.33Å; L421-Q490 HydrophobicContact CB-CG 4.38Å; L421-Q490 PolarHBondContact N-O 2.71Å; C478-Q490 CarbonylContact O-C 3.55Å; C478-Q490 WeakPolarHBondContact O-CA 3.42Å; F479-Q490 HydrophobicContact CD1-CB 3.93Å; F479-Q490 HydrophobicContact CD1-CG 4.15Å; F479-Q490 HydrophobicContact CE1-CB 3.72Å; F479-Q490 HydrophobicContact CE1-CG 3.68Å; F479-Q490 HydrophobicContact CZ-CG 4Å; D488-Q490 PolarHBondContact O-N 3.07Å
491	L	90.6	Very high	78.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	124	179.9	-55.6	-176.9	0	0	0	109.8	I420 L445 S477 C478 L480 F489 F493 F502	I420-L491 HydrophobicContact CG1-CD2 3.83Å; L445-L491 HydrophobicContact CD1-CD2 4.01Å; L445-L491 HydrophobicContact CD2-CD1 4.14Å; L445-L491 HydrophobicContact CD2-CD2 3.82Å; S477-L491 CarbonylContact C-O 3.58Å; S477-L491 WeakPolarHBondContact CA-O 3.48Å; S477-L491 WeakPolarHBondContact CB-O 3.46Å; C478-L491 PolarHBondContact N-O 3.36Å; C478-L491 PolarHBondContact O-N 3.46Å; L480-L491 HydrophobicContact CB-CD1 4.34Å; L480-L491 HydrophobicContact CD2-CD1 4.45Å; F489-L491 HydrophobicContact CB-CD2 3.93Å; F489-L491 HydrophobicContact CB-CG 4.29Å; F489-L491 PolarHBondContact O-N 3.3Å; L491-F493 HydrophobicContact CB-CD2 4.44Å; L491-F493 HydrophobicContact CB-CE2 3.63Å; L491-F493 HydrophobicContact CB-CZ 4.1Å; L491-F493 HydrophobicContact CD1-CZ 4.26Å; L491-F502 HydrophobicContact CD1-CE1 3.85Å; L491-F502 HydrophobicContact CD1-CZ 3.92Å
492	C	92.4	Very high	78.6	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.014	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.6	175.9	-53.6	0	0	0	0	109.9	Y360 V418 L419 Y427	Y360-C492 HydrophobicContact CE1-CB 4.48Å; Y360-C492 WeakPolarHBondContact OH-CB 3.38Å; V418-C492 CarbonylContact C-O 3.49Å; V418-C492 WeakPolarHBondContact CA-O 3.42Å; L419-C492 HydrophobicContact CB-CB 4.23Å; L419-C492 PolarHBondContact N-O 2.68Å; L419-C492 WeakPolarHBondContact O-CB 3.19Å; L419-C492 PolarHBondContact O-N 3.42Å; Y427-C492 HydrophobicContact CE1-CB 4.36Å
493	F	92.5	Very high	78.9	Confident	1 Å²	1	41.9 Å²	41.9	0%	0.004	21%	0.209	C	C	.	.			trans	-98.7	167.9	-169.7	-71.4	-95.6	0	0	0	112.6	Y360 V418 V432 R476 L491 S495 H498 C499 F502	Y360-F493 WeakPolarHBondContact CE2-O 3.45Å; Y360-F493 PolarHBondContact OH-O 3.03Å; V418-F493 HydrophobicContact CG1-CD1 3.53Å; V418-F493 HydrophobicContact CG1-CD2 4.46Å; V418-F493 HydrophobicContact CG1-CE1 3.47Å; V418-F493 VanDerWaalsContact CG1-CE1 3.47Å; V418-F493 HydrophobicContact CG1-CE2 4.39Å; V418-F493 HydrophobicContact CG1-CG 4.04Å; V418-F493 HydrophobicContact CG1-CZ 3.91Å; V432-F493 HydrophobicContact CG1-CE1 4.15Å; R476-F493 WeakPolarHBondContact O-CB 3.42Å; R476-F493 PolarHBondContact O-N 2.73Å; L491-F493 HydrophobicContact CB-CD2 4.44Å; L491-F493 HydrophobicContact CB-CE2 3.63Å; L491-F493 HydrophobicContact CB-CZ 4.1Å; L491-F493 HydrophobicContact CD1-CZ 4.26Å; F493-S495 VanDerWaalsContact C-N 3.3Å; F493-S495 PolarHBondContact O-N 2.89Å; F493-H498 HydrophobicContact CB-CB 3.94Å; F493-H498 HydrophobicContact CD1-CB 4.05Å; F493-H498 HydrophobicContact CG-CB 4.35Å; F493-C499 HydrophobicContact CB-CB 4.15Å; F493-C499 HydrophobicContact CD2-CB 3.82Å; F493-C499 HydrophobicContact CG-CB 4.09Å; F493-F502 HydrophobicContact CE1-CB 3.67Å; F493-F502 HydrophobicContact CE1-CD1 4.27Å; F493-F502 HydrophobicContact CE1-CD2 4.28Å; F493-F502 AromaticContact CE1-CG 3.81Å; F493-F502 HydrophobicContact CE1-CG 3.81Å; F493-F502 HydrophobicContact CE2-CD1 4.1Å; F493-F502 HydrophobicContact CE2-CG 4.44Å; F493-F502 HydrophobicContact CZ-CB 3.66Å; F493-F502 AromaticContact CZ-CD1 3.43Å; F493-F502 HydrophobicContact CZ-CD1 3.43Å; F493-F502 VanDerWaalsContact CZ-CD1 3.43Å; F493-F502 HydrophobicContact CZ-CD2 4.12Å; F493-F502 HydrophobicContact CZ-CE1 4.07Å; F493-F502 AromaticContact CZ-CG 3.45Å; F493-F502 HydrophobicContact CZ-CG 3.45Å; F493-F502 VanDerWaalsContact CZ-CG 3.45Å
494	P	90.8	Very high	80.2	Confident	4 Å²	4	43.2 Å²	43.2	3%	0.026	22%	0.216	C	C	.	.	S	Bend	trans	-58.7	-37.5	176.2	-24.4	34	0	0	0	113.8	L402 Q405 S406 P417	L402-P494 HydrophobicContact CD1-CG 4Å; Q405-P494 HydrophobicContact CB-CB 3.86Å; Q405-P494 HydrophobicContact CB-CG 3.73Å; S406-P494 WeakPolarHBondContact CB-O 3.48Å; S406-P494 WeakPolarHBondContact OG-CA 3.18Å; S406-P494 WeakPolarHBondContact OG-CB 3.43Å; S406-P494 PolarHBondContact OG-O 3.25Å; P417-P494 HydrophobicContact CG-CG 4.21Å; P417-P494 WeakPolarHBondContact O-CD 3.44Å
495	S	88	Confident	81.7	Confident	19 Å²	19	36 Å²	36	13%	0.133	19%	0.19	C	C	.	.	S	Bend	trans	-152.5	167.9	177	68.3	0	0	0	0	111.5	F493 I497 H498 C499	F493-S495 VanDerWaalsContact C-N 3.3Å; F493-S495 PolarHBondContact O-N 2.89Å; S495-I497 VanDerWaalsContact C-N 3.26Å; S495-I497 PolarHBondContact O-N 3.37Å; S495-H498 WeakPolarHBondContact O-CB 3.25Å; S495-H498 PolarHBondContact O-N 2.8Å; S495-H498 PolarHBondContact OG-ND1 2.89Å; S495-C499 PolarHBondContact O-N 3.21Å
496	E	86.4	Confident	83.1	Confident	46 Å²	46	33.7 Å²	33.7	22%	0.215	18%	0.177	C	C	.	.	H	α-helix	trans	-50.8	-44.1	173.8	177.2	-163.7	-178.8	0	0	112.4	E475 H498 C499 K500	E475-E496 HydrophobicContact CB-CB 4.34Å; E475-E496 HydrophobicContact CB-CG 4.01Å; E496-H498 VanDerWaalsContact C-N 3.29Å; E496-H498 PolarHBondContact O-N 2.91Å; E496-C499 WeakPolarHBondContact O-CA 3.33Å; E496-C499 WeakPolarHBondContact O-CB 3.29Å; E496-C499 PolarHBondContact O-N 3.27Å; E496-C499 VanDerWaalsContact O-N 3.07Å; E496-K500 HydrophobicContact CG-CD 4.12Å; E496-K500 PolarHBondContact O-N 2.62Å; E496-K500 VanDerWaalsContact OE1-CE 3.23Å; E496-K500 WeakPolarHBondContact OE1-CE 3.49Å; E496-K500 IonicContact OE1-NZ 2.75Å; E496-K500 PolarHBondContact OE1-NZ 3.25Å
497	I	84.1	Confident	84.9	Confident	84 Å²	84	33.7 Å²	33.7	43%	0.431	17%	0.173	S	C	.	.	H	α-helix	trans	-61.6	-40.1	-177.4	-45.7	178.8	0	0	0	110.5	V411 S495 K500 G501	V411-I497 HydrophobicContact CG2-CB 4.13Å; V411-I497 HydrophobicContact CG2-CG2 3.67Å; S495-I497 VanDerWaalsContact C-N 3.26Å; S495-I497 PolarHBondContact O-N 3.37Å; I497-K500 PolarHBondContact O-N 3.29Å; I497-G501 PolarHBondContact O-N 3.44Å
498	H	87.6	Confident	86.3	Confident	4 Å²	4	34.3 Å²	34.3	2%	0.019	18%	0.179	C	C	.	.	H	α-helix	trans	-65.3	-39.7	175.2	-70.8	86	0	0	0	111.9	Q405 V411 F493 S495 E496 F502	Q405-H498 PolarHBondContact O-CE1 3.08Å; V411-H498 HydrophobicContact CG2-CB 4.43Å; F493-H498 HydrophobicContact CB-CB 3.94Å; F493-H498 HydrophobicContact CD1-CB 4.05Å; F493-H498 HydrophobicContact CG-CB 4.35Å; S495-H498 WeakPolarHBondContact O-CB 3.25Å; S495-H498 PolarHBondContact O-N 2.8Å; S495-H498 PolarHBondContact OG-ND1 2.89Å; E496-H498 VanDerWaalsContact C-N 3.29Å; E496-H498 PolarHBondContact O-N 2.91Å; H498-F502 WeakPolarHBondContact O-CB 3.44Å; H498-F502 PolarHBondContact O-N 3.33Å
499	C	88.8	Confident	86.6	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.2	-46.5	176	-176	0	0	0	0	111.7	S477 F493 S495 E496 F502 C503	S477-C499 PolarHBondContact O-SG 2.62Å; S477-C499 VanDerWaalsContact O-SG 3.36Å; F493-C499 HydrophobicContact CB-CB 4.15Å; F493-C499 HydrophobicContact CD2-CB 3.82Å; F493-C499 HydrophobicContact CG-CB 4.09Å; S495-C499 PolarHBondContact O-N 3.21Å; E496-C499 WeakPolarHBondContact O-CA 3.33Å; E496-C499 WeakPolarHBondContact O-CB 3.29Å; E496-C499 PolarHBondContact O-N 3.27Å; E496-C499 VanDerWaalsContact O-N 3.07Å; C499-F502 PolarHBondContact O-N 3.46Å; C499-C503 PolarHBondContact O-N 3.03Å; C499-C503 PolarHBondContact O-SG 3Å
500	K	85.5	Confident	86.4	Confident	103 Å²	103	31.6 Å²	31.6	45%	0.448	17%	0.165	S	C	.	.	H	α-helix	trans	-62.9	-50.4	177.4	-75	179.8	170.6	173.7	0	111.9	E496 I497 F502 C503 E504	E496-K500 HydrophobicContact CG-CD 4.12Å; E496-K500 PolarHBondContact O-N 2.62Å; E496-K500 VanDerWaalsContact OE1-CE 3.23Å; E496-K500 WeakPolarHBondContact OE1-CE 3.49Å; E496-K500 IonicContact OE1-NZ 2.75Å; E496-K500 PolarHBondContact OE1-NZ 3.25Å; I497-K500 PolarHBondContact O-N 3.29Å; K500-F502 VanDerWaalsContact C-N 3.31Å; K500-F502 PolarHBondContact O-N 2.83Å; K500-C503 WeakPolarHBondContact O-CA 3.38Å; K500-C503 WeakPolarHBondContact O-CB 3.35Å; K500-C503 PolarHBondContact O-N 3.43Å; K500-E504 WeakPolarHBondContact O-CG 3.3Å; K500-E504 PolarHBondContact O-N 2.96Å
501	G	85.8	Confident	85.7	Confident	18 Å²	18	35.5 Å²	35.5	19%	0.186	18%	0.183	C	C	.	.	H	α-helix	trans	-60.1	-36.3	177.8	0	0	0	0	0	113.6	I497 L505	I497-G501 PolarHBondContact O-N 3.44Å; G501-L505 VanDerWaalsContact O-CB 3.28Å; G501-L505 WeakPolarHBondContact O-CB 3.46Å; G501-L505 PolarHBondContact O-N 3.1Å
502	F	87.8	Confident	84.5	Confident	12 Å²	12	40.1 Å²	40.1	5%	0.053	21%	0.205	C	C	.	.	H	α-helix	trans	-66.4	-41.1	171.7	176.1	-98.6	0	0	0	112.5	V432 V434 V443 V468 L491 F493 H498 C499 K500 L505 V506	V432-F502 HydrophobicContact CG1-CD2 4.49Å; V432-F502 HydrophobicContact CG1-CE2 4.45Å; V432-F502 HydrophobicContact CG2-CD2 4.34Å; V432-F502 HydrophobicContact CG2-CE2 3.54Å; V432-F502 HydrophobicContact CG2-CZ 4.05Å; V434-F502 HydrophobicContact CG2-CD2 4.24Å; V434-F502 HydrophobicContact CG2-CE2 3.88Å; V443-F502 HydrophobicContact CG1-CE2 4.25Å; V443-F502 HydrophobicContact CG1-CZ 4.21Å; V468-F502 HydrophobicContact CG2-CD1 4.36Å; V468-F502 HydrophobicContact CG2-CE1 4.1Å; L491-F502 HydrophobicContact CD1-CE1 3.85Å; L491-F502 HydrophobicContact CD1-CZ 3.92Å; F493-F502 HydrophobicContact CE1-CB 3.67Å; F493-F502 HydrophobicContact CE1-CD1 4.27Å; F493-F502 HydrophobicContact CE1-CD2 4.28Å; F493-F502 AromaticContact CE1-CG 3.81Å; F493-F502 HydrophobicContact CE1-CG 3.81Å; F493-F502 HydrophobicContact CE2-CD1 4.1Å; F493-F502 HydrophobicContact CE2-CG 4.44Å; F493-F502 HydrophobicContact CZ-CB 3.66Å; F493-F502 AromaticContact CZ-CD1 3.43Å; F493-F502 HydrophobicContact CZ-CD1 3.43Å; F493-F502 VanDerWaalsContact CZ-CD1 3.43Å; F493-F502 HydrophobicContact CZ-CD2 4.12Å; F493-F502 HydrophobicContact CZ-CE1 4.07Å; F493-F502 AromaticContact CZ-CG 3.45Å; F493-F502 HydrophobicContact CZ-CG 3.45Å; F493-F502 VanDerWaalsContact CZ-CG 3.45Å; H498-F502 WeakPolarHBondContact O-CB 3.44Å; H498-F502 PolarHBondContact O-N 3.33Å; C499-F502 PolarHBondContact O-N 3.46Å; K500-F502 VanDerWaalsContact C-N 3.31Å; K500-F502 PolarHBondContact O-N 2.83Å; F502-L505 PolarHBondContact O-N 3.38Å; F502-V506 HydrophobicContact CD1-CG2 4.4Å; F502-V506 HydrophobicContact CD2-CG2 4.24Å; F502-V506 HydrophobicContact CE1-CG2 3.93Å; F502-V506 HydrophobicContact CE2-CG2 3.73Å; F502-V506 HydrophobicContact CZ-CG2 3.57Å; F502-V506 WeakPolarHBondContact O-CG2 3.48Å; F502-V506 PolarHBondContact O-N 2.94Å
503	C	85.6	Confident	82.8	Confident	14 Å²	14	42 Å²	42	10%	0.095	22%	0.22	C	C	.	.	H	α-helix	trans	-63.2	-43.5	176.9	-66.1	0	0	0	0	111.7	V468 C499 K500 N507	V468-C503 HydrophobicContact CG1-CB 4.08Å; V468-C503 WeakPolarHBondContact CG1-O 3.42Å; V468-C503 HydrophobicContact CG2-CB 4.42Å; C499-C503 PolarHBondContact O-N 3.03Å; C499-C503 PolarHBondContact O-SG 3Å; K500-C503 WeakPolarHBondContact O-CA 3.38Å; K500-C503 WeakPolarHBondContact O-CB 3.35Å; K500-C503 PolarHBondContact O-N 3.43Å; C503-N507 WeakPolarHBondContact O-CB 3.43Å; C503-N507 VanDerWaalsContact O-CG 3.26Å; C503-N507 PolarHBondContact O-N 3.33Å; C503-N507 PolarHBondContact O-ND2 2.71Å; C503-N507 VanDerWaalsContact O-ND2 3.09Å
504	E	85.8	Confident	80.9	Confident	130 Å²	130	47.8 Å²	47.8	61%	0.607	25%	0.247	S	C	*	.	H	α-helix	trans	-61.3	-46.1	175.9	-71.4	161.5	-163.4	0	0	111.5	K500 N507 S508	K500-E504 WeakPolarHBondContact O-CG 3.3Å; K500-E504 PolarHBondContact O-N 2.96Å; E504-N507 PolarHBondContact O-N 2.93Å; E504-S508 PolarHBondContact O-N 2.99Å
505	L	85.3	Confident	78.4	Confident	37 Å²	37	54.1 Å²	54.1	19%	0.194	28%	0.281	C	S	.	.	H	α-helix	trans	-61.7	-46.3	178.3	-174.2	63.9	0	0	0	112.4	V434 E436 G501 F502 S508 L509	V434-L505 HydrophobicContact CB-CD2 3.79Å; V434-L505 HydrophobicContact CG1-CD2 3.82Å; V434-L505 HydrophobicContact CG1-CG 4.06Å; V434-L505 HydrophobicContact CG2-CD2 3.98Å; E436-L505 HydrophobicContact CG-CD1 4.3Å; E436-L505 WeakPolarHBondContact OE1-CD1 3.37Å; G501-L505 VanDerWaalsContact O-CB 3.28Å; G501-L505 WeakPolarHBondContact O-CB 3.46Å; G501-L505 PolarHBondContact O-N 3.1Å; F502-L505 PolarHBondContact O-N 3.38Å; L505-S508 WeakPolarHBondContact O-CB 3.33Å; L505-S508 PolarHBondContact O-N 3.48Å; L505-L509 PolarHBondContact O-N 3.49Å; L505-L509 VanDerWaalsContact O-N 3.12Å
506	V	84.1	Confident	76.3	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-67.2	-37.6	177.6	172.8	0	0	0	0	111.8	V443 I465 V468 L480 F502 S508 L509 L510	V443-V506 HydrophobicContact CG2-CG2 4.04Å; I465-V506 HydrophobicContact CG2-CG1 3.99Å; V468-V506 HydrophobicContact CB-CB 4.37Å; V468-V506 HydrophobicContact CB-CG1 4.04Å; V468-V506 HydrophobicContact CG1-CB 4.02Å; V468-V506 HydrophobicContact CG1-CG1 3.99Å; L480-V506 HydrophobicContact CD1-CG1 4.28Å; F502-V506 HydrophobicContact CD1-CG2 4.4Å; F502-V506 HydrophobicContact CD2-CG2 4.24Å; F502-V506 HydrophobicContact CE1-CG2 3.93Å; F502-V506 HydrophobicContact CE2-CG2 3.73Å; F502-V506 HydrophobicContact CZ-CG2 3.57Å; F502-V506 WeakPolarHBondContact O-CG2 3.48Å; F502-V506 PolarHBondContact O-N 2.94Å; V506-S508 VanDerWaalsContact C-N 3.35Å; V506-L509 PolarHBondContact O-N 3.29Å; V506-L510 HydrophobicContact CG1-CD1 4.29Å; V506-L510 WeakPolarHBondContact O-CG 3.41Å; V506-L510 PolarHBondContact O-N 2.99Å; V506-L510 VanDerWaalsContact O-N 3.12Å
507	N	83.5	Confident	74.1	Confident	63 Å²	63	62.2 Å²	62.2	34%	0.337	34%	0.335	S	S	.	.	H	α-helix	trans	-65.8	-36.1	174.4	-73.7	-32.6	0	0	0	112.3	C503 E504 L510 H511	C503-N507 WeakPolarHBondContact O-CB 3.43Å; C503-N507 VanDerWaalsContact O-CG 3.26Å; C503-N507 PolarHBondContact O-N 3.33Å; C503-N507 PolarHBondContact O-ND2 2.71Å; C503-N507 VanDerWaalsContact O-ND2 3.09Å; E504-N507 PolarHBondContact O-N 2.93Å; N507-L510 PolarHBondContact O-N 2.79Å; N507-H511 PolarHBondContact O-CD2 3.4Å; N507-H511 VanDerWaalsContact O-CD2 3.25Å; N507-H511 PolarHBondContact O-N 3.46Å
508	S	83.8	Confident	71.7	Confident	44 Å²	44	67.4 Å²	67.4	31%	0.308	36%	0.357	S	S	.	.	H	α-helix	trans	-59.3	-47.4	171.5	-176.7	0	0	0	0	111.7	E504 L505 V506 L510 H511 Q512	E504-S508 PolarHBondContact O-N 2.99Å; L505-S508 WeakPolarHBondContact O-CB 3.33Å; L505-S508 PolarHBondContact O-N 3.48Å; V506-S508 VanDerWaalsContact C-N 3.35Å; S508-L510 VanDerWaalsContact C-N 3.28Å; S508-L510 PolarHBondContact O-N 2.88Å; S508-H511 PolarHBondContact O-N 3.05Å; S508-Q512 VanDerWaalsContact O-CG 3.3Å; S508-Q512 WeakPolarHBondContact O-CG 3.18Å; S508-Q512 PolarHBondContact O-N 3.31Å; S508-Q512 VanDerWaalsContact O-N 3.08Å; S508-Q512 PolarHBondContact OG-NE2 3.06Å
509	L	81.4	Confident	69	Low	3 Å²	3	74 Å²	74	2%	0.016	39%	0.393	C	S	.	.	H	α-helix	trans	-60.6	-35.8	177.3	-68.3	-175.6	0	0	0	113.2	V434 E436 R441 V443 A462 L505 V506	V434-L509 HydrophobicContact CG1-CD1 3.53Å; E436-L509 HydrophobicContact CG-CD2 4.35Å; R441-L509 HydrophobicContact CB-CD2 4.2Å; R441-L509 HydrophobicContact CG-CD2 4.24Å; V443-L509 HydrophobicContact CG2-CD1 4.33Å; A462-L509 HydrophobicContact CB-CB 4.41Å; L505-L509 PolarHBondContact O-N 3.49Å; L505-L509 VanDerWaalsContact O-N 3.12Å; V506-L509 PolarHBondContact O-N 3.29Å
510	L	76.6	Confident	66.4	Low	30 Å²	30	80.3 Å²	80.3	16%	0.157	43%	0.434	C	S	.	.	H	α-helix	trans	-70	-51.4	177.6	-70.1	170.1	0	0	0	111.7	I465 V506 N507 S508 Q512 A513 E514	I465-L510 HydrophobicContact CB-CD2 4.06Å; I465-L510 HydrophobicContact CG2-CD1 4.28Å; I465-L510 HydrophobicContact CG2-CD2 4.19Å; I465-L510 WeakPolarHBondContact O-CD2 3.4Å; V506-L510 HydrophobicContact CG1-CD1 4.29Å; V506-L510 WeakPolarHBondContact O-CG 3.41Å; V506-L510 PolarHBondContact O-N 2.99Å; V506-L510 VanDerWaalsContact O-N 3.12Å; N507-L510 PolarHBondContact O-N 2.79Å; S508-L510 VanDerWaalsContact C-N 3.28Å; S508-L510 PolarHBondContact O-N 2.88Å; L510-Q512 PolarHBondContact O-N 3.04Å; L510-A513 WeakPolarHBondContact O-CB 3.38Å; L510-A513 PolarHBondContact O-N 3.34Å; L510-E514 PolarHBondContact O-N 3.21Å
511	H	73.3	Confident	64	Low	131 Å²	131	84.2 Å²	84.2	61%	0.606	45%	0.454	S	S	*	.	H	α-helix	trans	-61.3	-31.3	179.1	-71.8	-47.4	0	0	0	113.1	N507 S508 A513 E514	N507-H511 PolarHBondContact O-CD2 3.4Å; N507-H511 VanDerWaalsContact O-CD2 3.25Å; N507-H511 PolarHBondContact O-N 3.46Å; S508-H511 PolarHBondContact O-N 3.05Å; H511-A513 PolarHBondContact O-N 3.3Å; H511-E514 IonicContact ND1-OE2 2.76Å
512	Q	64.7	Low	61.8	Low	98 Å²	98	90.2 Å²	90.2	46%	0.458	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-3.5	174.3	-66.6	-178	45.9	0	0	114.3	R441 S508 L510	R441-Q512 PolarHBondContact NH1-O 3.15Å; S508-Q512 VanDerWaalsContact O-CG 3.3Å; S508-Q512 WeakPolarHBondContact O-CG 3.18Å; S508-Q512 PolarHBondContact O-N 3.31Å; S508-Q512 VanDerWaalsContact O-N 3.08Å; S508-Q512 PolarHBondContact OG-NE2 3.06Å; L510-Q512 PolarHBondContact O-N 3.04Å
513	A	56.8	Low	59.3	Low	40 Å²	40	96.4 Å²	96.4	33%	0.331	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-14.4	179.6	0	0	0	0	0	114.1	A462 L510 H511 N515	A462-A513 HydrophobicContact CB-CB 4.39Å; L510-A513 WeakPolarHBondContact O-CB 3.38Å; L510-A513 PolarHBondContact O-N 3.34Å; H511-A513 PolarHBondContact O-N 3.3Å; A513-N515 VanDerWaalsContact C-N 3.25Å; A513-N515 PolarHBondContact O-N 3.21Å
514	E	52.5	Low	56.8	Low	123 Å²	123	102.6 Å²	102.6	58%	0.575	55%	0.551	S	S	*	*	S	Bend	trans	-84.5	22.3	-174.8	-67.8	-175.4	135.2	0	0	114.7	L510 H511	L510-E514 PolarHBondContact O-N 3.21Å; H511-E514 IonicContact ND1-OE2 2.76Å
515	N	40.2	Very low	54.7	Low	137 Å²	137	101.9 Å²	101.9	73%	0.733	55%	0.548	S	S	*	.			trans	-131.7	133.4	169.1	-79.2	-83.6	0	0	0	109.3	A513	A513-N515 VanDerWaalsContact C-N 3.25Å; A513-N515 PolarHBondContact O-N 3.21Å
516	P	43.3	Very low	52.8	Low	109 Å²	109	102.8 Å²	102.8	71%	0.708	57%	0.567	S	S	*	*	S	Bend	cis	-122.4	167.7	31.2	40.4	-29.9	0	0	0	116.8
517	T	39.3	Very low	51.6	Low	126 Å²	126	110 Å²	110	77%	0.773	60%	0.603	S	S	*	*			trans	63.2	82	161.2	48.9	0	0	0	0	119.3
518	Q	33.6	Very low	51.2	Low	193 Å²	193	108.7 Å²	108.7	90%	0.902	60%	0.596	S	S	*	*	S	Bend		-167.2	142	121.6	-104.3	164.8	19.4	0	0	112.8
519	D	31.3	Very low	51.3	Low	142 Å²	142	112.9 Å²	112.9	76%	0.759	61%	0.611	S	S	*	*			trans	27	99.7	169.2	-61.8	-13.4	0	0	0	121	Q521	D519-Q521 VanDerWaalsContact C-N 3.34Å; D519-Q521 PolarHBondContact O-N 3.37Å
520	P	34.1	Very low	51.7	Low	134 Å²	134	114.4 Å²	114.4	87%	0.87	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	64.3	-179.7	36.4	-37.2	0	0	0	113.3
521	Q	34.9	Very low	52.4	Low	184 Å²	184	116.8 Å²	116.8	86%	0.86	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.4	2.7	175.3	-75.7	-166.4	-13.4	0	0	115.6	D519	D519-Q521 VanDerWaalsContact C-N 3.34Å; D519-Q521 PolarHBondContact O-N 3.37Å
522	L	39.5	Very low	53.4	Low	144 Å²	144	113 Å²	113	75%	0.754	61%	0.61	S	S	*	*	S	Bend	trans	-132	6.6	-172.5	-98.9	158.7	0	0	0	116
523	L	35.3	Very low	54.7	Low	142 Å²	142	110.1 Å²	110.1	74%	0.743	60%	0.597	S	S	*	*	S	Bend	trans	-118.9	44.2	-177.5	-69.1	176.7	0	0	0	113.8
524	T	33.1	Very low	56.3	Low	144 Å²	144	112.1 Å²	112.1	88%	0.883	61%	0.605	S	S	*	*			trans	-150.3	80.5	154.8	-6.8	0	0	0	0	108	G526	T524-G526 PolarHBondContact O-N 3Å
525	Q	42.5	Very low	58	Low	115 Å²	115	111 Å²	111	54%	0.537	60%	0.6	S	S	.	*			trans	-74.8	80.9	178	-169.2	163.3	34.8	0	0	108.8	L598	Q525-L598 PolarHBondContact NE2-O 2.93Å
526	G	45.4	Very low	60.1	Low	57 Å²	57	114.7 Å²	114.7	59%	0.588	61%	0.613	S	S	*	*			trans	-55.9	158.6	168.6	0	0	0	0	0	111	T524 L528	T524-G526 PolarHBondContact O-N 3Å; G526-L528 PolarHBondContact O-N 3.38Å; G526-L528 VanDerWaalsContact O-N 3.07Å
527	I	58.9	Low	62	Low	150 Å²	150	115 Å²	115	77%	0.769	61%	0.609	S	S	*	*			trans	-60.8	116.5	175.8	-60.6	170.7	0	0	0	107.1	E529	I527-E529 PolarHBondContact O-N 3.41Å; I527-E529 VanDerWaalsContact O-N 3.15Å
528	L	75.5	Confident	64.1	Low	37 Å²	37	111.4 Å²	111.4	19%	0.194	60%	0.596	C	S	.	*			trans	-66.5	113.9	178.2	-173.3	153.1	0	0	0	107.5	G526 F530 D556 I563 L598 F610	G526-L528 PolarHBondContact O-N 3.38Å; G526-L528 VanDerWaalsContact O-N 3.07Å; L528-F530 HydrophobicContact CD2-CB 3.94Å; L528-F530 WeakPolarHBondContact O-CD1 3.36Å; L528-D556 HydrophobicContact CD2-CB 4.31Å; L528-I563 HydrophobicContact CD2-CD1 3.89Å; L528-L598 HydrophobicContact CD1-CB 4.5Å; L528-F610 HydrophobicContact CD2-CD1 4.48Å
529	E	84.9	Confident	66.7	Low	132 Å²	132	107 Å²	107	62%	0.617	58%	0.579	S	S	*	*			trans	-76.2	127.9	177.4	-65.6	-172.9	170.2	0	0	109.5	I527 L557	I527-E529 PolarHBondContact O-N 3.41Å; I527-E529 VanDerWaalsContact O-N 3.15Å; E529-L557 HydrophobicContact CB-CB 4.06Å; E529-L557 HydrophobicContact CB-CD1 4.22Å; E529-L557 PolarHBondContact O-N 2.86Å
530	F	89.9	Confident	69.6	Low	35 Å²	35	104.1 Å²	104.1	15%	0.154	56%	0.557	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-144.8	159.5	-173.8	71	-79.7	0	0	0	113.1	L528 Y532 R555 I563 I565 K608 F610	L528-F530 HydrophobicContact CD2-CB 3.94Å; L528-F530 WeakPolarHBondContact O-CD1 3.36Å; F530-Y532 HydrophobicContact CE2-CD2 4.41Å; F530-Y532 HydrophobicContact CE2-CE1 4.25Å; F530-Y532 AromaticContact CE2-CE2 3.72Å; F530-Y532 HydrophobicContact CE2-CE2 3.72Å; F530-Y532 AromaticContact CE2-CZ 3.63Å; F530-R555 VanDerWaalsContact CA-O 3.22Å; F530-R555 WeakPolarHBondContact CA-O 3.44Å; F530-I563 HydrophobicContact CB-CD1 4.04Å; F530-I565 HydrophobicContact CD2-CD1 3.47Å; F530-I565 VanDerWaalsContact CD2-CD1 3.47Å; F530-I565 HydrophobicContact CE2-CD1 3.88Å; F530-I565 HydrophobicContact CG-CD1 4.37Å; F530-K608 HydrophobicContact CZ-CD 3.93Å; F530-F610 AromaticContact CD1-CE1 3.61Å; F530-F610 HydrophobicContact CD1-CE1 3.61Å; F530-F610 AromaticContact CD1-CZ 3.6Å; F530-F610 HydrophobicContact CD1-CZ 3.6Å; F530-F610 HydrophobicContact CD2-CE1 4.07Å; F530-F610 AromaticContact CE1-CE1 3.76Å; F530-F610 HydrophobicContact CE1-CE1 3.76Å; F530-F610 AromaticContact CE1-CZ 3.48Å; F530-F610 HydrophobicContact CE1-CZ 3.48Å; F530-F610 VanDerWaalsContact CE1-CZ 3.48Å; F530-F610 HydrophobicContact CE2-CE1 4.17Å; F530-F610 AromaticContact CG-CE1 3.79Å; F530-F610 HydrophobicContact CG-CE1 3.79Å; F530-F610 HydrophobicContact CG-CZ 4.26Å; F530-F610 HydrophobicContact CZ-CE1 4.03Å; F530-F610 HydrophobicContact CZ-CZ 4.02Å
531	I	91.8	Very high	72.4	Confident	80 Å²	80	98.8 Å²	98.8	41%	0.41	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	150.7	164.8	53.2	173.4	0	0	0	109.7	G554 R555 L557	I531-G554 CarbonylContact O-C 3.56Å; I531-G554 WeakPolarHBondContact O-CA 3.32Å; I531-R555 HydrophobicContact CG1-CB 4.09Å; I531-R555 PolarHBondContact N-O 3.36Å; I531-R555 PolarHBondContact O-N 3.04Å; I531-L557 HydrophobicContact CD1-CD2 3.97Å; I531-L557 HydrophobicContact CG1-CD2 3.91Å; I531-L557 HydrophobicContact CG2-CD1 4.15Å; I531-L557 HydrophobicContact CG2-CD2 3.97Å; I531-L557 HydrophobicContact CG2-CG 4.28Å
532	Y	93.8	Very high	75.1	Confident	51 Å²	51	93.4 Å²	93.4	20%	0.2	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	145.7	165.9	-56	-90.4	0	0	0	108.9	F530 R540 Y552 I565 E567 K608	F530-Y532 HydrophobicContact CE2-CD2 4.41Å; F530-Y532 HydrophobicContact CE2-CE1 4.25Å; F530-Y532 AromaticContact CE2-CE2 3.72Å; F530-Y532 HydrophobicContact CE2-CE2 3.72Å; F530-Y532 AromaticContact CE2-CZ 3.63Å; Y532-R540 HydrophobicContact CG-CG 4.39Å; Y532-Y552 HydrophobicContact CD1-CG 4.48Å; Y532-I565 HydrophobicContact CD1-CD1 3.97Å; Y532-I565 HydrophobicContact CE1-CD1 4.02Å; Y532-I565 HydrophobicContact CE1-CG2 4.21Å; Y532-E567 VanDerWaalsContact CE1-OE1 3.25Å; Y532-E567 WeakPolarHBondContact CE1-OE1 3.35Å; Y532-E567 PolarHBondContact OH-OE1 3.25Å; Y532-K608 WeakPolarHBondContact OH-CE 3.49Å; Y532-K608 PolarHBondContact OH-NZ 3.44Å; Y532-K608 VanDerWaalsContact OH-NZ 3.07Å
533	E	92.1	Very high	77.5	Confident	37 Å²	37	90.5 Å²	90.5	17%	0.173	49%	0.486	C	S	.	.			trans	-81.2	138.3	165.8	-154.6	169.3	-121.9	0	0	108.6	V541 A553 R555 R562	E533-V541 HydrophobicContact CB-CB 4.48Å; E533-V541 HydrophobicContact CB-CG2 4.25Å; E533-V541 HydrophobicContact CG-CG2 4.47Å; E533-V541 WeakPolarHBondContact O-CB 3.16Å; E533-V541 WeakPolarHBondContact O-CG2 3.39Å; E533-V541 PolarHBondContact O-N 3.36Å; E533-A553 HydrophobicContact CB-CB 4.11Å; E533-A553 PolarHBondContact N-O 3.25Å; E533-R555 IonicContact OE1-CZ 3.15Å; E533-R555 VanDerWaalsContact OE1-CZ 3.25Å; E533-R555 IonicContact OE1-NE 2.73Å; E533-R555 PolarHBondContact OE1-NE 3.43Å; E533-R555 IonicContact OE1-NH2 2.68Å; E533-R555 PolarHBondContact OE1-NH2 3.5Å; E533-R562 IonicContact OE1-CZ 3.49Å; E533-R562 IonicContact OE1-NE 2.71Å; E533-R562 PolarHBondContact OE1-NE 2.95Å; E533-R562 IonicContact OE1-NH2 3.77Å; E533-R562 PolarHBondContact OE1-NH2 3.46Å; E533-R562 IonicContact OE2-CZ 3.49Å; E533-R562 IonicContact OE2-NE 2.98Å; E533-R562 PolarHBondContact OE2-NE 3.2Å; E533-R562 IonicContact OE2-NH2 3.56Å; E533-R562 PolarHBondContact OE2-NH2 3.35Å
534	T	91.6	Very high	79.8	Confident	83 Å²	83	85.1 Å²	85.1	51%	0.509	47%	0.465	S	S	.	.	B	Isolated β-bridge	trans	-120.9	150.6	-176.8	48.3	0	0	0	0	111.9	D539	T534-D539 CarbonylContact C-O 3.58Å; T534-D539 WeakPolarHBondContact CA-O 3.24Å; T534-D539 WeakPolarHBondContact CB-O 3.49Å
535	H	86.1	Confident	82.1	Confident	100 Å²	100	86.5 Å²	86.5	46%	0.463	46%	0.459	S	S	.	.			trans	-75.6	166.5	169.1	-67.8	-73.2	0	0	0	110.9	N537 G538 D539	H535-N537 VanDerWaalsContact CB-OD1 3.29Å; H535-N537 WeakPolarHBondContact CB-OD1 3.36Å; H535-N537 PolarHBondContact O-N 3.44Å; H535-N537 VanDerWaalsContact O-N 3.08Å; H535-G538 PolarHBondContact O-N 2.8Å; H535-D539 PolarHBondContact N-O 2.99Å
536	E	86.2	Confident	83.3	Confident	214 Å²	214	82 Å²	82	100%	1	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.4	-177.9	-60.7	179.5	166.3	0	0	114
537	N	83.2	Confident	84.3	Confident	116 Å²	116	82.2 Å²	82.2	62%	0.62	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-3.4	175.3	71.1	-18.6	0	0	0	114.1	H535 D539	H535-N537 VanDerWaalsContact CB-OD1 3.29Å; H535-N537 WeakPolarHBondContact CB-OD1 3.36Å; H535-N537 PolarHBondContact O-N 3.44Å; H535-N537 VanDerWaalsContact O-N 3.08Å; N537-D539 PolarHBondContact ND2-OD2 2.92Å; N537-D539 WeakPolarHBondContact OD1-CB 3Å; N537-D539 PolarHBondContact OD1-N 3.21Å
538	G	82.4	Confident	84.8	Confident	50 Å²	50	77.8 Å²	77.8	52%	0.515	41%	0.408	S	S	.	.	S	Bend	trans	95.9	-8.2	-177.5	0	0	0	0	0	115.9	H535	H535-G538 PolarHBondContact O-N 2.8Å
539	D	87.6	Confident	84.9	Confident	99 Å²	99	76.6 Å²	76.6	53%	0.529	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-70.9	144.8	-179.9	-75.6	-37.8	0	0	0	112.4	T534 H535 N537	T534-D539 CarbonylContact C-O 3.58Å; T534-D539 WeakPolarHBondContact CA-O 3.24Å; T534-D539 WeakPolarHBondContact CB-O 3.49Å; H535-D539 PolarHBondContact N-O 2.99Å; N537-D539 PolarHBondContact ND2-OD2 2.92Å; N537-D539 WeakPolarHBondContact OD1-CB 3Å; N537-D539 PolarHBondContact OD1-N 3.21Å
540	R	92.4	Very high	85	Confident	82 Å²	82	72 Å²	72	31%	0.309	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-70.8	129.6	176.7	-59	-169.8	-63.4	167.3	3.7	111	Y532 V542 Y552 E567	Y532-R540 HydrophobicContact CG-CG 4.39Å; R540-V542 PolarHBondContact O-N 3.45Å; R540-Y552 HydrophobicContact CB-CD1 3.71Å; R540-Y552 HydrophobicContact CB-CE1 3.99Å; R540-Y552 PolarHBondContact NH2-OH 3.14Å; R540-E567 IonicContact CZ-OE1 3.9Å; R540-E567 IonicContact CZ-OE2 2.67Å; R540-E567 VanDerWaalsContact CZ-OE2 3.29Å; R540-E567 IonicContact NH1-OE1 2.66Å; R540-E567 PolarHBondContact NH1-OE1 2.94Å; R540-E567 IonicContact NH1-OE2 2.67Å; R540-E567 PolarHBondContact NH1-OE2 3.4Å; R540-E567 IonicContact NH2-OE1 3.72Å; R540-E567 IonicContact NH2-OE2 2.9Å; R540-E567 PolarHBondContact NH2-OE2 3.27Å
541	V	92.9	Very high	85.1	Confident	23 Å²	23	71.4 Å²	71.4	14%	0.139	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-64.9	119.6	179.9	176.5	0	0	0	0	110.2	E533 Y552 A553	E533-V541 HydrophobicContact CB-CB 4.48Å; E533-V541 HydrophobicContact CB-CG2 4.25Å; E533-V541 HydrophobicContact CG-CG2 4.47Å; E533-V541 WeakPolarHBondContact O-CB 3.16Å; E533-V541 WeakPolarHBondContact O-CG2 3.39Å; E533-V541 PolarHBondContact O-N 3.36Å; V541-Y552 CarbonylContact O-C 3.45Å; V541-Y552 VanDerWaalsContact O-CA 3.23Å; V541-Y552 WeakPolarHBondContact O-CA 3.24Å; V541-A553 HydrophobicContact CB-CB 4Å; V541-A553 HydrophobicContact CG1-CB 3.82Å; V541-A553 PolarHBondContact O-N 3.39Å
542	V	92.8	Very high	85.2	Confident	71 Å²	71	69.2 Å²	69.2	43%	0.43	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	119.2	177.1	177.2	0	0	0	0	110	R540 V550 Y552	R540-V542 PolarHBondContact O-N 3.45Å; V542-V550 HydrophobicContact CG1-CG1 3.86Å; V542-V550 HydrophobicContact CG2-CG1 4.12Å; V542-Y552 HydrophobicContact CG2-CD1 3.83Å; V542-Y552 HydrophobicContact CG2-CE1 3.67Å
543	L	88.4	Confident	85.2	Confident	82 Å²	82	66.9 Å²	66.9	43%	0.429	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-29.2	172.4	-66.1	176.2	0	0	0	112.4	V551 A553 A564 E613	L543-V551 HydrophobicContact CB-CG1 4.29Å; L543-V551 PolarHBondContact N-O 3.16Å; L543-A553 HydrophobicContact CD1-CB 4.02Å; L543-A553 HydrophobicContact CD2-CB 3.99Å; L543-A553 HydrophobicContact CG-CB 3.85Å; L543-A564 HydrophobicContact CD1-CB 3.91Å; L543-E613 HydrophobicContact CD1-CG 4.21Å
544	G	84	Confident	85.3	Confident	29 Å²	29	65.1 Å²	65.1	30%	0.299	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	173.8	-173.1	178	0	0	0	0	0	114	V551	G544-V551 PolarHBondContact N-O 2.83Å; G544-V551 VanDerWaalsContact N-O 3.15Å; G544-V551 PolarHBondContact O-N 3.07Å
545	K	80.9	Confident	85.3	Confident	173 Å²	173	64.7 Å²	64.7	75%	0.752	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.6	115.2	172.3	-62.5	-174.4	179.3	-178.1	0	108.3	V550	K545-V550 HydrophobicContact CG-CG1 4.45Å; K545-V550 HydrophobicContact CG-CG2 4.33Å
546	G	68.3	Low	85.4	Confident	21 Å²	21	60.8 Å²	60.8	22%	0.216	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	179.6	173.5	0	0	0	0	0	111.6	Y548 G549	G546-Y548 PolarHBondContact O-N 3.38Å; G546-Y548 VanDerWaalsContact O-N 3.08Å; G546-G549 PolarHBondContact N-O 3.44Å; G546-G549 PolarHBondContact O-N 2.94Å
547	T	67.8	Low	85.4	Confident	62 Å²	62	53.8 Å²	53.8	38%	0.38	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-32.9	-170.5	-58.4	0	0	0	0	114.2	D679 T682	T547-D679 WeakPolarHBondContact CB-OD2 3.38Å; T547-D679 PolarHBondContact N-OD2 3.32Å; T547-D679 PolarHBondContact OG1-OD2 3.45Å; T547-T682 HydrophobicContact CG2-CG2 4.07Å
548	Y	67.7	Low	85.4	Confident	57 Å²	57	52.8 Å²	52.8	22%	0.224	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-5.5	-177.8	-52.6	-50.4	0	0	0	114.9	G546 I568 G681	G546-Y548 PolarHBondContact O-N 3.38Å; G546-Y548 VanDerWaalsContact O-N 3.08Å; Y548-I568 WeakPolarHBondContact O-CG1 3.4Å; Y548-G681 VanDerWaalsContact CE2-CA 3.49Å; Y548-G681 WeakPolarHBondContact CE2-O 3.38Å; Y548-G681 PolarHBondContact OH-O 2.99Å
549	G	77.4	Confident	85.5	Confident	11 Å²	11	54.3 Å²	54.3	11%	0.113	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.1	166.8	-166.6	0	0	0	0	0	116.1	G546 E567	G546-G549 PolarHBondContact N-O 3.44Å; G546-G549 PolarHBondContact O-N 2.94Å; G549-E567 VanDerWaalsContact CA-O 3.23Å; G549-E567 WeakPolarHBondContact CA-O 3.42Å
550	V	88.2	Confident	85.4	Confident	35 Å²	35	54.4 Å²	54.4	21%	0.212	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.9	179.6	-174.5	0	0	0	0	109.4	V542 K545 Y552 K566 E567	V542-V550 HydrophobicContact CG1-CG1 3.86Å; V542-V550 HydrophobicContact CG2-CG1 4.12Å; K545-V550 HydrophobicContact CG-CG1 4.45Å; K545-V550 HydrophobicContact CG-CG2 4.33Å; V550-Y552 HydrophobicContact CB-CD2 4.46Å; V550-Y552 HydrophobicContact CB-CE2 3.69Å; V550-Y552 HydrophobicContact CG1-CD1 4.48Å; V550-Y552 HydrophobicContact CG1-CD2 4.2Å; V550-Y552 HydrophobicContact CG1-CE1 3.96Å; V550-Y552 HydrophobicContact CG1-CE2 3.63Å; V550-K566 WeakPolarHBondContact O-CA 3.39Å; V550-E567 PolarHBondContact N-O 3.21Å; V550-E567 VanDerWaalsContact N-O 3.14Å; V550-E567 PolarHBondContact O-N 3.31Å
551	V	91.2	Very high	85.1	Confident	23 Å²	23	54.6 Å²	54.6	14%	0.139	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	116.8	177.4	-170.3	0	0	0	0	108.7	L543 G544 A564 I565 K566	L543-V551 HydrophobicContact CB-CG1 4.29Å; L543-V551 PolarHBondContact N-O 3.16Å; G544-V551 PolarHBondContact N-O 2.83Å; G544-V551 VanDerWaalsContact N-O 3.15Å; G544-V551 PolarHBondContact O-N 3.07Å; V551-A564 HydrophobicContact CG1-CB 3.87Å; V551-I565 CarbonylContact C-O 3.56Å; V551-I565 WeakPolarHBondContact CA-O 3.29Å; V551-K566 HydrophobicContact CG2-CB 4.08Å; V551-K566 HydrophobicContact CG2-CG 4.13Å
552	Y	94.4	Very high	85	Confident	35 Å²	35	58.4 Å²	58.4	14%	0.137	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	156.8	177.5	-58.9	-89.9	0	0	0	111.3	Y532 R540 V541 V542 V550 I565 E567	Y532-Y552 HydrophobicContact CD1-CG 4.48Å; R540-Y552 HydrophobicContact CB-CD1 3.71Å; R540-Y552 HydrophobicContact CB-CE1 3.99Å; R540-Y552 PolarHBondContact NH2-OH 3.14Å; V541-Y552 CarbonylContact O-C 3.45Å; V541-Y552 VanDerWaalsContact O-CA 3.23Å; V541-Y552 WeakPolarHBondContact O-CA 3.24Å; V542-Y552 HydrophobicContact CG2-CD1 3.83Å; V542-Y552 HydrophobicContact CG2-CE1 3.67Å; V550-Y552 HydrophobicContact CB-CD2 4.46Å; V550-Y552 HydrophobicContact CB-CE2 3.69Å; V550-Y552 HydrophobicContact CG1-CD1 4.48Å; V550-Y552 HydrophobicContact CG1-CD2 4.2Å; V550-Y552 HydrophobicContact CG1-CE1 3.96Å; V550-Y552 HydrophobicContact CG1-CE2 3.63Å; Y552-I565 PolarHBondContact N-O 3.04Å; Y552-I565 PolarHBondContact O-N 3.27Å; Y552-E567 HydrophobicContact CD2-CB 4.43Å; Y552-E567 HydrophobicContact CD2-CG 3.88Å; Y552-E567 HydrophobicContact CE2-CB 4.07Å; Y552-E567 HydrophobicContact CE2-CG 3.87Å; Y552-E567 WeakPolarHBondContact CE2-OE2 3.46Å
553	A	93.6	Very high	85	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.008	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	146	165.6	0	0	0	0	0	110.1	E533 V541 L543	E533-A553 HydrophobicContact CB-CB 4.11Å; E533-A553 PolarHBondContact N-O 3.25Å; V541-A553 HydrophobicContact CB-CB 4Å; V541-A553 HydrophobicContact CG1-CB 3.82Å; V541-A553 PolarHBondContact O-N 3.39Å; L543-A553 HydrophobicContact CD1-CB 4.02Å; L543-A553 HydrophobicContact CD2-CB 3.99Å; L543-A553 HydrophobicContact CG-CB 3.85Å
554	G	93.6	Very high	85.3	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	179.8	174.3	0	0	0	0	0	112.1	I531 R562 I563	I531-G554 CarbonylContact O-C 3.56Å; I531-G554 WeakPolarHBondContact O-CA 3.32Å; G554-R562 WeakPolarHBondContact O-CA 3.49Å; G554-I563 PolarHBondContact N-O 2.99Å; G554-I563 PolarHBondContact O-N 2.93Å
555	R	91.5	Very high	85.7	Confident	75 Å²	75	50.2 Å²	50.2	28%	0.283	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	134.3	176.5	-66.4	172.6	179.8	-96.5	2.4	109.7	F530 I531 E533 Q560 V561 R562	F530-R555 VanDerWaalsContact CA-O 3.22Å; F530-R555 WeakPolarHBondContact CA-O 3.44Å; I531-R555 HydrophobicContact CG1-CB 4.09Å; I531-R555 PolarHBondContact N-O 3.36Å; I531-R555 PolarHBondContact O-N 3.04Å; E533-R555 IonicContact OE1-CZ 3.15Å; E533-R555 VanDerWaalsContact OE1-CZ 3.25Å; E533-R555 IonicContact OE1-NE 2.73Å; E533-R555 PolarHBondContact OE1-NE 3.43Å; E533-R555 IonicContact OE1-NH2 2.68Å; E533-R555 PolarHBondContact OE1-NH2 3.5Å; R555-Q560 PolarHBondContact NH1-O 2.94Å; R555-V561 WeakPolarHBondContact CA-O 3.2Å; R555-R562 HydrophobicContact CG-CG 4.16Å
556	D	89.2	Confident	86.1	Confident	18 Å²	18	42.1 Å²	42.1	10%	0.096	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	121.8	164.9	175.5	-21.8	0	0	0	108	L528 S558 N559 Q560 V561 I563	L528-D556 HydrophobicContact CD2-CB 4.31Å; D556-S558 VanDerWaalsContact C-N 3.3Å; D556-S558 PolarHBondContact O-N 3.06Å; D556-S558 VanDerWaalsContact OD1-CB 3.29Å; D556-S558 WeakPolarHBondContact OD1-CB 3.48Å; D556-S558 PolarHBondContact OD1-N 3.06Å; D556-S558 PolarHBondContact OD1-OG 2.93Å; D556-S558 PolarHBondContact OD2-OG 3.29Å; D556-N559 WeakPolarHBondContact CB-OD1 3.25Å; D556-N559 PolarHBondContact OD2-ND2 3.45Å; D556-Q560 WeakPolarHBondContact O-CA 3.38Å; D556-Q560 PolarHBondContact O-N 3.37Å; D556-V561 PolarHBondContact N-O 2.91Å; D556-I563 HydrophobicContact CB-CD1 4.49Å; D556-I563 HydrophobicContact CB-CG2 4.31Å
557	L	86.6	Confident	87.1	Confident	67 Å²	67	41.5 Å²	41.5	35%	0.351	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-27.7	-175.3	-75	178.7	0	0	0	112.7	E529 I531 N559 Q560	E529-L557 HydrophobicContact CB-CB 4.06Å; E529-L557 HydrophobicContact CB-CD1 4.22Å; E529-L557 PolarHBondContact O-N 2.86Å; I531-L557 HydrophobicContact CD1-CD2 3.97Å; I531-L557 HydrophobicContact CG1-CD2 3.91Å; I531-L557 HydrophobicContact CG2-CD1 4.15Å; I531-L557 HydrophobicContact CG2-CD2 3.97Å; I531-L557 HydrophobicContact CG2-CG 4.28Å; L557-N559 VanDerWaalsContact C-N 3.28Å; L557-N559 PolarHBondContact O-N 2.75Å; L557-Q560 PolarHBondContact O-NE2 2.98Å
558	S	83.3	Confident	87.7	Confident	95 Å²	95	38.9 Å²	38.9	66%	0.664	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-26.4	-175.2	73.2	0	0	0	0	113.5	D556	D556-S558 VanDerWaalsContact C-N 3.3Å; D556-S558 PolarHBondContact O-N 3.06Å; D556-S558 VanDerWaalsContact OD1-CB 3.29Å; D556-S558 WeakPolarHBondContact OD1-CB 3.48Å; D556-S558 PolarHBondContact OD1-N 3.06Å; D556-S558 PolarHBondContact OD1-OG 2.93Å; D556-S558 PolarHBondContact OD2-OG 3.29Å
559	N	84	Confident	88.3	Confident	81 Å²	81	39 Å²	39	43%	0.433	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-140.7	-3.4	-171.6	57.2	48.6	0	0	0	114	D556 L557 V561	D556-N559 WeakPolarHBondContact CB-OD1 3.25Å; D556-N559 PolarHBondContact OD2-ND2 3.45Å; L557-N559 VanDerWaalsContact C-N 3.28Å; L557-N559 PolarHBondContact O-N 2.75Å; N559-V561 HydrophobicContact CB-CG2 4.24Å; N559-V561 PolarHBondContact O-N 3.4Å; N559-V561 WeakPolarHBondContact OD1-CB 3.48Å; N559-V561 VanDerWaalsContact OD1-CG2 3.22Å; N559-V561 WeakPolarHBondContact OD1-CG2 3.34Å; N559-V561 PolarHBondContact OD1-N 3.49Å
560	Q	84.9	Confident	87.9	Confident	101 Å²	101	43 Å²	43	47%	0.472	22%	0.224	S	C	.	.			trans	61.7	14.1	-179.7	-57.2	-63.5	-49	0	0	115.2	R555 D556 L557	R555-Q560 PolarHBondContact NH1-O 2.94Å; D556-Q560 WeakPolarHBondContact O-CA 3.38Å; D556-Q560 PolarHBondContact O-N 3.37Å; L557-Q560 PolarHBondContact O-NE2 2.98Å
561	V	86.4	Confident	86.5	Confident	87 Å²	87	50.5 Å²	50.5	53%	0.527	25%	0.254	S	S	.	.			trans	-72.3	141.1	175.5	179.6	0	0	0	0	109.8	R555 D556 N559	R555-V561 WeakPolarHBondContact CA-O 3.2Å; D556-V561 PolarHBondContact N-O 2.91Å; N559-V561 HydrophobicContact CB-CG2 4.24Å; N559-V561 PolarHBondContact O-N 3.4Å; N559-V561 WeakPolarHBondContact OD1-CB 3.48Å; N559-V561 VanDerWaalsContact OD1-CG2 3.22Å; N559-V561 WeakPolarHBondContact OD1-CG2 3.34Å; N559-V561 PolarHBondContact OD1-N 3.49Å
562	R	89.9	Confident	84.6	Confident	102 Å²	102	53.3 Å²	53.3	39%	0.385	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	137.6	176.5	-83.3	179.6	158.2	-156.4	4.7	112.3	E533 G554 R555 E613	E533-R562 IonicContact OE1-CZ 3.49Å; E533-R562 IonicContact OE1-NE 2.71Å; E533-R562 PolarHBondContact OE1-NE 2.95Å; E533-R562 IonicContact OE1-NH2 3.77Å; E533-R562 PolarHBondContact OE1-NH2 3.46Å; E533-R562 IonicContact OE2-CZ 3.49Å; E533-R562 IonicContact OE2-NE 2.98Å; E533-R562 PolarHBondContact OE2-NE 3.2Å; E533-R562 IonicContact OE2-NH2 3.56Å; E533-R562 PolarHBondContact OE2-NH2 3.35Å; G554-R562 WeakPolarHBondContact O-CA 3.49Å; R555-R562 HydrophobicContact CG-CG 4.16Å; R562-E613 HydrophobicContact CB-CB 4.05Å; R562-E613 WeakPolarHBondContact CD-OE1 3.41Å; R562-E613 IonicContact CZ-OE1 2.69Å; R562-E613 IonicContact NE-OE1 3.65Å; R562-E613 IonicContact NH1-OE1 2.68Å; R562-E613 PolarHBondContact NH1-OE1 3.24Å; R562-E613 IonicContact NH1-OE2 3.76Å
563	I	94.3	Very high	82.4	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.01	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	149.5	-176.7	61.5	175.4	0	0	0	110.4	L528 F530 G554 D556 I565 L598 F610 M611	L528-I563 HydrophobicContact CD2-CD1 3.89Å; F530-I563 HydrophobicContact CB-CD1 4.04Å; G554-I563 PolarHBondContact N-O 2.99Å; G554-I563 PolarHBondContact O-N 2.93Å; D556-I563 HydrophobicContact CB-CD1 4.49Å; D556-I563 HydrophobicContact CB-CG2 4.31Å; I563-I565 HydrophobicContact CD1-CD1 4.42Å; I563-I565 HydrophobicContact CD1-CG1 4.3Å; I563-I565 HydrophobicContact CG1-CG1 4.21Å; I563-L598 HydrophobicContact CB-CD1 4.32Å; I563-L598 HydrophobicContact CG2-CD1 3.59Å; I563-F610 HydrophobicContact CD1-CD1 3.99Å; I563-M611 CarbonylContact C-O 3.5Å; I563-M611 WeakPolarHBondContact CA-O 3.44Å; I563-M611 WeakPolarHBondContact CB-O 3.4Å
564	A	94.2	Very high	80.2	Confident	9 Å²	9	60.9 Å²	60.9	7%	0.074	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.7	170.4	0	0	0	0	0	109.9	L543 V551 M611	L543-A564 HydrophobicContact CD1-CB 3.91Å; V551-A564 HydrophobicContact CG1-CB 3.87Å; A564-M611 HydrophobicContact CB-CB 4.33Å; A564-M611 PolarHBondContact N-O 3.5Å; A564-M611 PolarHBondContact O-N 3.25Å
565	I	92.8	Very high	78.1	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	102.3	-176.3	-49.1	178.3	0	0	0	108.9	F530 Y532 V551 Y552 I563 E567 K608 I609 F610	F530-I565 HydrophobicContact CD2-CD1 3.47Å; F530-I565 VanDerWaalsContact CD2-CD1 3.47Å; F530-I565 HydrophobicContact CE2-CD1 3.88Å; F530-I565 HydrophobicContact CG-CD1 4.37Å; Y532-I565 HydrophobicContact CD1-CD1 3.97Å; Y532-I565 HydrophobicContact CE1-CD1 4.02Å; Y532-I565 HydrophobicContact CE1-CG2 4.21Å; V551-I565 CarbonylContact C-O 3.56Å; V551-I565 WeakPolarHBondContact CA-O 3.29Å; Y552-I565 PolarHBondContact N-O 3.04Å; Y552-I565 PolarHBondContact O-N 3.27Å; I563-I565 HydrophobicContact CD1-CD1 4.42Å; I563-I565 HydrophobicContact CD1-CG1 4.3Å; I563-I565 HydrophobicContact CG1-CG1 4.21Å; I565-E567 HydrophobicContact CG2-CG 4.28Å; I565-K608 HydrophobicContact CG2-CB 4.28Å; I565-I609 WeakPolarHBondContact CA-O 3.29Å; I565-F610 HydrophobicContact CD1-CE1 4.41Å; I565-F610 HydrophobicContact CG1-CD1 4.1Å; I565-F610 HydrophobicContact CG1-CE1 4.33Å; I565-F610 HydrophobicContact CG2-CD1 4.29Å; I565-F610 HydrophobicContact CG2-CE1 4.09Å
566	K	89.8	Confident	76.3	Confident	3 Å²	3	64.1 Å²	64.1	1%	0.013	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	110.5	175.7	-178.5	175.7	172.6	-172.8	0	109.1	V550 V551 I568 E582 K608 I609 M611 D679	V550-K566 WeakPolarHBondContact O-CA 3.39Å; V551-K566 HydrophobicContact CG2-CB 4.08Å; V551-K566 HydrophobicContact CG2-CG 4.13Å; K566-I568 HydrophobicContact CG-CD1 4.49Å; K566-E582 IonicContact NZ-OE1 2.62Å; K566-E582 PolarHBondContact NZ-OE1 3.19Å; K566-E582 IonicContact NZ-OE2 3.97Å; K566-E582 PolarHBondContact NZ-OE2 2.93Å; K566-K608 CarbonylContact O-C 3.4Å; K566-K608 WeakPolarHBondContact O-CA 3.3Å; K566-I609 HydrophobicContact CB-CB 4.32Å; K566-I609 PolarHBondContact N-O 3.38Å; K566-I609 PolarHBondContact O-N 3.34Å; K566-M611 HydrophobicContact CB-CE 3.66Å; K566-M611 HydrophobicContact CD-CE 4.38Å; K566-D679 IonicContact NZ-OD1 3.72Å; K566-D679 PolarHBondContact NZ-OD1 2.99Å
567	E	88.1	Confident	74.6	Confident	7 Å²	7	65.5 Å²	65.5	3%	0.033	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	135.3	177.9	-61.5	-168.5	148.4	0	0	111.9	Y532 R540 G549 V550 Y552 I565 F606 K608	Y532-E567 VanDerWaalsContact CE1-OE1 3.25Å; Y532-E567 WeakPolarHBondContact CE1-OE1 3.35Å; Y532-E567 PolarHBondContact OH-OE1 3.25Å; R540-E567 IonicContact CZ-OE1 3.9Å; R540-E567 IonicContact CZ-OE2 2.67Å; R540-E567 VanDerWaalsContact CZ-OE2 3.29Å; R540-E567 IonicContact NH1-OE1 2.66Å; R540-E567 PolarHBondContact NH1-OE1 2.94Å; R540-E567 IonicContact NH1-OE2 2.67Å; R540-E567 PolarHBondContact NH1-OE2 3.4Å; R540-E567 IonicContact NH2-OE1 3.72Å; R540-E567 IonicContact NH2-OE2 2.9Å; R540-E567 PolarHBondContact NH2-OE2 3.27Å; G549-E567 VanDerWaalsContact CA-O 3.23Å; G549-E567 WeakPolarHBondContact CA-O 3.42Å; V550-E567 PolarHBondContact N-O 3.21Å; V550-E567 VanDerWaalsContact N-O 3.14Å; V550-E567 PolarHBondContact O-N 3.31Å; Y552-E567 HydrophobicContact CD2-CB 4.43Å; Y552-E567 HydrophobicContact CD2-CG 3.88Å; Y552-E567 HydrophobicContact CE2-CB 4.07Å; Y552-E567 HydrophobicContact CE2-CG 3.87Å; Y552-E567 WeakPolarHBondContact CE2-OE2 3.46Å; I565-E567 HydrophobicContact CG2-CG 4.28Å; E567-F606 HydrophobicContact CB-CD1 4.22Å; E567-K608 HydrophobicContact CG-CG 4.32Å
568	I	80.8	Confident	73.2	Confident	7 Å²	7	64.8 Å²	64.8	4%	0.036	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	130.8	177.9	-58.9	165.2	0	0	0	109.1	Y548 K566 E570 L579 F606 I607	Y548-I568 WeakPolarHBondContact O-CG1 3.4Å; K566-I568 HydrophobicContact CG-CD1 4.49Å; I568-E570 PolarHBondContact O-N 3.13Å; I568-L579 HydrophobicContact CB-CD2 3.8Å; I568-L579 HydrophobicContact CD1-CD1 3.28Å; I568-L579 HydrophobicContact CD1-CD2 3.48Å; I568-L579 VanDerWaalsContact CD1-CD2 3.48Å; I568-L579 HydrophobicContact CD1-CG 3.96Å; I568-L579 HydrophobicContact CG1-CD2 4.23Å; I568-L579 HydrophobicContact CG2-CD2 3.82Å; I568-F606 CarbonylContact O-C 3.59Å; I568-F606 VanDerWaalsContact O-CA 3.3Å; I568-F606 WeakPolarHBondContact O-CA 3.21Å; I568-I607 PolarHBondContact N-O 3.01Å; I568-I607 PolarHBondContact O-N 2.7Å
569	P	79.3	Confident	72.2	Confident	59 Å²	59	60.3 Å²	60.3	38%	0.383	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	130.8	178.4	-22.3	32.8	0	0	0	112.7	K571 F606	P569-K571 PolarHBondContact O-N 2.77Å; P569-F606 HydrophobicContact CB-CE1 4.35Å; P569-F606 HydrophobicContact CG-CD1 4.32Å; P569-F606 HydrophobicContact CG-CE1 3.94Å
570	E	70.3	Confident	71.3	Confident	97 Å²	97	60 Å²	60	45%	0.453	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-15.4	179.1	-168.7	171.2	-131	0	0	112.7	I568 D572 S602 G605	I568-E570 PolarHBondContact O-N 3.13Å; E570-D572 PolarHBondContact O-N 3.13Å; E570-S602 WeakPolarHBondContact OE1-CB 3.32Å; E570-S602 PolarHBondContact OE1-OG 2.72Å; E570-S602 PolarHBondContact OE2-OG 3.49Å; E570-G605 VanDerWaalsContact CB-O 3.27Å; E570-G605 WeakPolarHBondContact CB-O 3.36Å; E570-G605 PolarHBondContact N-O 3.22Å
571	K	58.5	Low	70.2	Confident	192 Å²	192	59.5 Å²	59.5	84%	0.835	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-17.4	-176.5	-68.8	179.2	-179.5	171.3	0	114.5	P569 S573	P569-K571 PolarHBondContact O-N 2.77Å; K571-S573 PolarHBondContact O-N 3.19Å; K571-S573 VanDerWaalsContact O-N 3.13Å
572	D	52.3	Low	69.4	Low	81 Å²	81	55.8 Å²	55.8	43%	0.433	28%	0.283	S	S	.	.			trans	-82.6	88.2	175.4	-87.6	-47.8	0	0	0	111.5	E570 T574 Y575 S576	E570-D572 PolarHBondContact O-N 3.13Å; D572-T574 PolarHBondContact O-N 3.43Å; D572-Y575 HydrophobicContact CB-CD2 3.82Å; D572-Y575 PolarHBondContact O-N 3.5Å; D572-S576 PolarHBondContact O-N 2.86Å
573	S	47.9	Very low	68.6	Low	97 Å²	97	51.7 Å²	51.7	68%	0.678	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-15.5	172.5	58.6	0	0	0	0	114.2	K571	K571-S573 PolarHBondContact O-N 3.19Å; K571-S573 VanDerWaalsContact O-N 3.13Å
574	T	45.8	Very low	67.5	Low	98 Å²	98	53.9 Å²	53.9	60%	0.601	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-23.9	176.8	-58.4	0	0	0	0	113	D572	D572-T574 PolarHBondContact O-N 3.43Å
575	Y	50.8	Low	66.7	Low	121 Å²	121	54 Å²	54	48%	0.475	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-12.3	-174.8	-59.8	-58.4	0	0	0	114.4	D572 Q577 P578 L579	D572-Y575 HydrophobicContact CB-CD2 3.82Å; D572-Y575 PolarHBondContact O-N 3.5Å; Y575-Q577 PolarHBondContact O-N 3.2Å; Y575-P578 WeakPolarHBondContact O-CD 3.14Å; Y575-L579 WeakPolarHBondContact O-CB 3.31Å; Y575-L579 PolarHBondContact O-N 3.19Å; Y575-L579 VanDerWaalsContact O-N 3.13Å
576	S	53.6	Low	66.2	Low	23 Å²	23	54.1 Å²	54.1	16%	0.161	29%	0.286	C	S	.	.	H	α-helix	trans	-61.6	-36.3	-177.9	63.9	0	0	0	0	114.6	D572 H580	D572-S576 PolarHBondContact O-N 2.86Å; S576-H580 PolarHBondContact O-CD2 3.26Å; S576-H580 VanDerWaalsContact O-CD2 3.27Å; S576-H580 PolarHBondContact O-N 3.48Å
577	Q	53.5	Low	65.8	Low	47 Å²	47	59.4 Å²	59.4	22%	0.22	31%	0.309	C	S	.	.	H	α-helix	trans	-72.8	-52.1	177.6	176	171.5	-20.7	0	0	113	Y575 L579 H580 E581	Y575-Q577 PolarHBondContact O-N 3.2Å; Q577-L579 PolarHBondContact O-N 3.04Å; Q577-L579 VanDerWaalsContact O-N 3.15Å; Q577-H580 PolarHBondContact O-N 3.49Å; Q577-E581 WeakPolarHBondContact CG-OE1 3.24Å; Q577-E581 PolarHBondContact NE2-OE1 3.06Å; Q577-E581 PolarHBondContact O-N 3.37Å
578	P	56.3	Low	65.3	Low	51 Å²	51	65.2 Å²	65.2	33%	0.331	33%	0.331	S	S	.	.	H	α-helix	trans	-52.2	-34.6	172.1	-29.2	35.2	0	0	0	113.5	Y575 E581 E582	Y575-P578 WeakPolarHBondContact O-CD 3.14Å; P578-E581 PolarHBondContact O-N 3.47Å; P578-E582 PolarHBondContact O-N 3.46Å
579	L	62.1	Low	65.6	Low	1 Å²	1	65 Å²	65	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-68.9	-43.2	175	176.5	55.6	0	0	0	113.5	I568 Y575 Q577 E581 E582 I583 I607 I609	I568-L579 HydrophobicContact CB-CD2 3.8Å; I568-L579 HydrophobicContact CD1-CD1 3.28Å; I568-L579 HydrophobicContact CD1-CD2 3.48Å; I568-L579 VanDerWaalsContact CD1-CD2 3.48Å; I568-L579 HydrophobicContact CD1-CG 3.96Å; I568-L579 HydrophobicContact CG1-CD2 4.23Å; I568-L579 HydrophobicContact CG2-CD2 3.82Å; Y575-L579 WeakPolarHBondContact O-CB 3.31Å; Y575-L579 PolarHBondContact O-N 3.19Å; Y575-L579 VanDerWaalsContact O-N 3.13Å; Q577-L579 PolarHBondContact O-N 3.04Å; Q577-L579 VanDerWaalsContact O-N 3.15Å; L579-E581 PolarHBondContact O-N 2.73Å; L579-E582 WeakPolarHBondContact O-CB 3.46Å; L579-E582 PolarHBondContact O-N 2.94Å; L579-I583 HydrophobicContact CD1-CD1 4.06Å; L579-I583 HydrophobicContact CD1-CG1 4.23Å; L579-I583 HydrophobicContact CG-CD1 4.08Å; L579-I583 WeakPolarHBondContact O-CG1 3.33Å; L579-I583 PolarHBondContact O-N 2.94Å; L579-I607 HydrophobicContact CD2-CB 3.86Å; L579-I607 HydrophobicContact CD2-CD1 3.81Å; L579-I607 HydrophobicContact CD2-CG1 4.43Å; L579-I607 HydrophobicContact CD2-CG2 3.78Å; L579-I607 HydrophobicContact CG-CG2 4.36Å; L579-I609 HydrophobicContact CD1-CD1 3.83Å
580	H	65.4	Low	66.1	Low	75 Å²	75	69.3 Å²	69.3	35%	0.347	34%	0.343	S	S	.	.	H	α-helix	trans	-63.6	-32	173.2	-76	-47.3	0	0	0	111.9	S576 Q577 A584	S576-H580 PolarHBondContact O-CD2 3.26Å; S576-H580 VanDerWaalsContact O-CD2 3.27Å; S576-H580 PolarHBondContact O-N 3.48Å; Q577-H580 PolarHBondContact O-N 3.49Å; H580-A584 VanDerWaalsContact O-CB 3.22Å; H580-A584 WeakPolarHBondContact O-CB 3.33Å; H580-A584 PolarHBondContact O-N 3.12Å
581	E	63.2	Low	67.3	Low	91 Å²	91	67.4 Å²	67.4	43%	0.425	33%	0.334	S	S	.	.	H	α-helix	trans	-67	-42.8	170.8	-68.6	175.2	-148.9	0	0	111.9	Q577 P578 L579 A584 L585	Q577-E581 WeakPolarHBondContact CG-OE1 3.24Å; Q577-E581 PolarHBondContact NE2-OE1 3.06Å; Q577-E581 PolarHBondContact O-N 3.37Å; P578-E581 PolarHBondContact O-N 3.47Å; L579-E581 PolarHBondContact O-N 2.73Å; E581-A584 PolarHBondContact O-N 3.34Å; E581-L585 VanDerWaalsContact O-CB 3.27Å; E581-L585 WeakPolarHBondContact O-CB 3.28Å; E581-L585 PolarHBondContact O-N 2.9Å
582	E	67.9	Low	69	Low	8 Å²	8	65.1 Å²	65.1	4%	0.037	32%	0.32	C	S	.	.	H	α-helix	trans	-56.1	-51.6	171.7	-175.9	-173.4	160.8	0	0	110.9	K566 P578 L579 A584 L585 H586 F680 G681	K566-E582 IonicContact NZ-OE1 2.62Å; K566-E582 PolarHBondContact NZ-OE1 3.19Å; K566-E582 IonicContact NZ-OE2 3.97Å; K566-E582 PolarHBondContact NZ-OE2 2.93Å; P578-E582 PolarHBondContact O-N 3.46Å; L579-E582 WeakPolarHBondContact O-CB 3.46Å; L579-E582 PolarHBondContact O-N 2.94Å; E582-A584 PolarHBondContact O-N 2.78Å; E582-L585 PolarHBondContact O-N 3.23Å; E582-H586 VanDerWaalsContact O-CB 3.3Å; E582-H586 WeakPolarHBondContact O-CB 3.45Å; E582-H586 PolarHBondContact O-N 3.06Å; E582-F680 HydrophobicContact CG-CB 4.33Å; E582-G681 VanDerWaalsContact CD-CA 3.45Å; E582-G681 WeakPolarHBondContact OE2-CA 3.31Å
583	I	73	Confident	71.2	Confident	17 Å²	17	61.3 Å²	61.3	9%	0.087	30%	0.299	C	S	.	.	H	α-helix	trans	-61.4	-45.9	-179.7	-67.9	165.9	0	0	0	111	L579 L585 H586 K587 Y597 I607 I609	L579-I583 HydrophobicContact CD1-CD1 4.06Å; L579-I583 HydrophobicContact CD1-CG1 4.23Å; L579-I583 HydrophobicContact CG-CD1 4.08Å; L579-I583 WeakPolarHBondContact O-CG1 3.33Å; L579-I583 PolarHBondContact O-N 2.94Å; I583-L585 VanDerWaalsContact C-N 3.27Å; I583-L585 PolarHBondContact O-N 3Å; I583-H586 PolarHBondContact O-N 2.9Å; I583-K587 WeakPolarHBondContact O-CB 3.45Å; I583-K587 PolarHBondContact O-N 3.17Å; I583-Y597 HydrophobicContact CG2-CE2 4.18Å; I583-I607 HydrophobicContact CD1-CG2 3.75Å; I583-I609 HydrophobicContact CD1-CD1 3.97Å; I583-I609 HydrophobicContact CD1-CG1 3.98Å; I583-I609 HydrophobicContact CG1-CD1 3.48Å; I583-I609 VanDerWaalsContact CG1-CD1 3.48Å; I583-I609 HydrophobicContact CG1-CG1 3.85Å
584	A	72.1	Confident	73.5	Confident	47 Å²	47	56.8 Å²	56.8	39%	0.388	27%	0.268	S	S	.	.	H	α-helix	trans	-69.9	-22.2	-179.1	0	0	0	0	0	113.7	H580 E581 E582	H580-A584 VanDerWaalsContact O-CB 3.22Å; H580-A584 WeakPolarHBondContact O-CB 3.33Å; H580-A584 PolarHBondContact O-N 3.12Å; E581-A584 PolarHBondContact O-N 3.34Å; E582-A584 PolarHBondContact O-N 2.78Å
585	L	76.9	Confident	75.8	Confident	12 Å²	12	52.2 Å²	52.2	6%	0.063	24%	0.24	C	C	.	.	H	α-helix	trans	-80.6	-56.5	170.8	-176.8	136.3	0	0	0	110.6	E581 E582 I583 K587 R588 L589 I656 F680 R685	E581-L585 VanDerWaalsContact O-CB 3.27Å; E581-L585 WeakPolarHBondContact O-CB 3.28Å; E581-L585 PolarHBondContact O-N 2.9Å; E582-L585 PolarHBondContact O-N 3.23Å; I583-L585 VanDerWaalsContact C-N 3.27Å; I583-L585 PolarHBondContact O-N 3Å; L585-K587 PolarHBondContact O-N 3.44Å; L585-R588 PolarHBondContact O-N 3.25Å; L585-L589 HydrophobicContact CD2-CD1 3.94Å; L585-L589 HydrophobicContact CD2-CG 4.47Å; L585-I656 HydrophobicContact CD1-CD1 4.01Å; L585-I656 HydrophobicContact CD1-CG1 4.18Å; L585-I656 HydrophobicContact CD1-CG2 4.29Å; L585-I656 HydrophobicContact CD2-CD1 4.46Å; L585-I656 HydrophobicContact CG-CD1 4.13Å; L585-F680 HydrophobicContact CD2-CB 4.2Å; L585-F680 HydrophobicContact CD2-CD1 4.42Å; L585-F680 HydrophobicContact CD2-CG 4.48Å; L585-R685 HydrophobicContact CD1-CG 4.2Å
586	H	82.1	Confident	77.8	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.009	23%	0.229	C	C	.	.	H	α-helix	trans	-64.7	-37.1	-174.1	-167.4	-169.2	0	0	0	112.8	E582 I583 R588 L589 V595 Y597 F680	E582-H586 VanDerWaalsContact O-CB 3.3Å; E582-H586 WeakPolarHBondContact O-CB 3.45Å; E582-H586 PolarHBondContact O-N 3.06Å; I583-H586 PolarHBondContact O-N 2.9Å; H586-R588 PolarHBondContact O-N 3.08Å; H586-L589 PolarHBondContact O-N 2.81Å; H586-V595 PolarHBondContact NE2-O 2.96Å; H586-Y597 HydrophobicContact CB-CD2 4.36Å; H586-F680 AromaticContact CD2-CD2 3.63Å; H586-F680 AromaticContact CD2-CE2 3.95Å; H586-F680 AromaticContact CE1-CD2 3.85Å; H586-F680 AromaticContact CG-CD2 3.82Å; H586-F680 AromaticContact ND1-CD2 3.96Å; H586-F680 AromaticContact NE2-CD2 3.66Å; H586-F680 AromaticContact NE2-CE2 3.74Å
587	K	82.1	Confident	79.5	Confident	114 Å²	114	48.8 Å²	48.8	50%	0.496	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-21.6	173	178.5	164.2	176.4	159.8	0	113.7	I583 L585 Y597	I583-K587 WeakPolarHBondContact O-CB 3.45Å; I583-K587 PolarHBondContact O-N 3.17Å; L585-K587 PolarHBondContact O-N 3.44Å; K587-Y597 HydrophobicContact CB-CD1 3.97Å; K587-Y597 HydrophobicContact CB-CD2 4.44Å; K587-Y597 HydrophobicContact CB-CE1 3.71Å; K587-Y597 HydrophobicContact CB-CE2 4.19Å; K587-Y597 HydrophobicContact CB-CG 4.33Å; K587-Y597 HydrophobicContact CD-CE1 3.91Å; K587-Y597 HydrophobicContact CG-CD1 4.11Å; K587-Y597 HydrophobicContact CG-CE1 3.67Å
588	R	78	Confident	81.1	Confident	129 Å²	129	49.3 Å²	49.3	49%	0.487	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	0.8	179.1	-54.7	-168.6	-167.7	-134.3	7.5	113.8	R466 L585 H586	R466-R588 PolarHBondContact O-NH2 3.44Å; L585-R588 PolarHBondContact O-N 3.25Å; H586-R588 PolarHBondContact O-N 3.08Å
589	L	86.6	Confident	82.5	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.016	22%	0.215	C	C	.	.			trans	-89.7	128.9	175.4	-56.4	-178.2	0	0	0	110.7	L585 H586 I594 Y650 L651 I656 F680	L585-L589 HydrophobicContact CD2-CD1 3.94Å; L585-L589 HydrophobicContact CD2-CG 4.47Å; H586-L589 PolarHBondContact O-N 2.81Å; L589-I594 HydrophobicContact CB-CG2 4.05Å; L589-I594 HydrophobicContact CD1-CG2 4.3Å; L589-Y650 HydrophobicContact CB-CE1 4.39Å; L589-Y650 HydrophobicContact CD2-CE1 4.1Å; L589-L651 HydrophobicContact CD1-CD2 3.95Å; L589-L651 HydrophobicContact CD2-CD2 4.09Å; L589-I656 HydrophobicContact CD2-CD1 3.76Å; L589-F680 HydrophobicContact CD1-CD1 3.8Å; L589-F680 HydrophobicContact CD1-CD2 4.22Å; L589-F680 HydrophobicContact CD1-CE1 3.77Å; L589-F680 HydrophobicContact CD1-CE2 4.18Å; L589-F680 HydrophobicContact CD1-CG 4.07Å; L589-F680 HydrophobicContact CD1-CZ 4Å
590	K	90.6	Very high	83.6	Confident	149 Å²	149	49.5 Å²	49.5	65%	0.648	23%	0.232	S	C	*	.			trans	-148.6	97.7	176.1	-173.3	171.3	-175.3	178	0	110	Y650	K590-Y650 PolarHBondContact N-OH 2.95Å; K590-Y650 PolarHBondContact O-OH 3.31Å
591	H	95	Very high	84.5	Confident	57 Å²	57	47.9 Å²	47.9	26%	0.264	23%	0.228	S	C	.	.			trans	-151.4	152.7	177.5	-179.9	-111	0	0	0	110.1	N593 I594 E646 Y650	H591-N593 PolarHBondContact CE1-OD1 3.43Å; H591-N593 PolarHBondContact ND1-N 3.07Å; H591-N593 PolarHBondContact O-N 3.27Å; H591-I594 HydrophobicContact CB-CB 4.33Å; H591-I594 HydrophobicContact CB-CG1 3.83Å; H591-I594 PolarHBondContact O-N 3.49Å; H591-I594 VanDerWaalsContact O-N 3.15Å; H591-E646 PolarHBondContact CE1-O 3.24Å; H591-Y650 HydrophobicContact CB-CD1 3.55Å; H591-Y650 HydrophobicContact CB-CD2 3.85Å; H591-Y650 HydrophobicContact CB-CE1 3.7Å; H591-Y650 HydrophobicContact CB-CE2 4Å; H591-Y650 HydrophobicContact CB-CG 3.62Å; H591-Y650 AromaticContact CG-CG 3.71Å
592	R	94.9	Very high	85.4	Confident	144 Å²	144	46.4 Å²	46.4	54%	0.543	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-43.5	-176.3	-178.3	-175.2	-177.8	-162.9	2.4	112.2	I594 V674 K676	R592-I594 VanDerWaalsContact C-N 3.33Å; R592-V674 HydrophobicContact CG-CG1 4.11Å; R592-K676 WeakPolarHBondContact O-CE 3.49Å; R592-K676 PolarHBondContact O-NZ 2.86Å; R592-K676 VanDerWaalsContact O-NZ 3.1Å
593	N	97.3	Very high	85.9	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	20.6	-173.7	-54.4	94.5	0	0	0	114	H591 Q643 L675 K676 I677	H591-N593 PolarHBondContact CE1-OD1 3.43Å; H591-N593 PolarHBondContact ND1-N 3.07Å; H591-N593 PolarHBondContact O-N 3.27Å; N593-Q643 WeakPolarHBondContact CB-O 3.3Å; N593-Q643 PolarHBondContact ND2-OE1 3.22Å; N593-Q643 VanDerWaalsContact ND2-OE1 3.08Å; N593-L675 VanDerWaalsContact CA-O 3.26Å; N593-L675 WeakPolarHBondContact CA-O 3.26Å; N593-L675 WeakPolarHBondContact CB-O 3.3Å; N593-L675 PolarHBondContact ND2-O 2.86Å; N593-K676 WeakPolarHBondContact O-CA 3.47Å; N593-I677 PolarHBondContact O-N 2.9Å
594	I	96.3	Very high	86.2	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.01	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-115.7	143.5	170.8	-60.8	-64.1	0	0	0	107.3	L589 H591 R592 Q596 Y650 L651 K676 I677 F680	L589-I594 HydrophobicContact CB-CG2 4.05Å; L589-I594 HydrophobicContact CD1-CG2 4.3Å; H591-I594 HydrophobicContact CB-CB 4.33Å; H591-I594 HydrophobicContact CB-CG1 3.83Å; H591-I594 PolarHBondContact O-N 3.49Å; H591-I594 VanDerWaalsContact O-N 3.15Å; R592-I594 VanDerWaalsContact C-N 3.33Å; I594-Q596 PolarHBondContact O-N 2.99Å; I594-Y650 HydrophobicContact CD1-CD1 4.37Å; I594-Y650 HydrophobicContact CG1-CD1 3.88Å; I594-Y650 HydrophobicContact CG1-CE1 4.17Å; I594-L651 HydrophobicContact CD1-CD1 4.04Å; I594-L651 HydrophobicContact CD1-CD2 4.03Å; I594-L651 HydrophobicContact CD1-CG 3.99Å; I594-K676 PolarHBondContact O-NZ 3.23Å; I594-I677 HydrophobicContact CD1-CB 4.31Å; I594-F680 HydrophobicContact CD1-CE1 4.32Å; I594-F680 HydrophobicContact CD1-CZ 3.86Å; I594-F680 HydrophobicContact CG2-CE2 3.8Å; I594-F680 HydrophobicContact CG2-CZ 3.66Å
595	V	94.1	Very high	86.5	Confident	3 Å²	3	53.6 Å²	53.6	2%	0.018	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-70	127.8	171.4	73.3	0	0	0	0	109.7	H586 Y597 M611 E612 V614 K676 I677 F680	H586-V595 PolarHBondContact NE2-O 2.96Å; V595-Y597 PolarHBondContact O-N 3.37Å; V595-M611 HydrophobicContact CG1-SD 4.36Å; V595-M611 HydrophobicContact CG2-CB 4.42Å; V595-E612 HydrophobicContact CG2-CG 3.71Å; V595-V614 HydrophobicContact CG2-CG2 4.2Å; V595-K676 HydrophobicContact CB-CB 4.49Å; V595-I677 PolarHBondContact N-O 3.39Å; V595-F680 HydrophobicContact CG1-CE2 4.15Å
596	Q	91.9	Very high	86.8	Confident	55 Å²	55	56.7 Å²	56.7	26%	0.257	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-76.5	120.4	-172	-176.1	57.8	71.4	0	0	110.5	I594 L598 M611 E612	I594-Q596 PolarHBondContact O-N 2.99Å; Q596-L598 HydrophobicContact CG-CD2 4.12Å; Q596-M611 VanDerWaalsContact O-CA 3.28Å; Q596-M611 WeakPolarHBondContact O-CA 3.48Å; Q596-E612 HydrophobicContact CB-CG 4.32Å; Q596-E612 WeakPolarHBondContact CB-OE1 3.38Å; Q596-E612 PolarHBondContact N-OE1 3.42Å; Q596-E612 PolarHBondContact O-N 3.38Å; Q596-E612 VanDerWaalsContact O-N 3.12Å
597	Y	90.1	Very high	86.9	Confident	16 Å²	16	57 Å²	57	6%	0.063	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	132.2	165	176.2	-83.2	0	0	0	109.9	I583 H586 K587 V595 G599 S600 I609	I583-Y597 HydrophobicContact CG2-CE2 4.18Å; H586-Y597 HydrophobicContact CB-CD2 4.36Å; K587-Y597 HydrophobicContact CB-CD1 3.97Å; K587-Y597 HydrophobicContact CB-CD2 4.44Å; K587-Y597 HydrophobicContact CB-CE1 3.71Å; K587-Y597 HydrophobicContact CB-CE2 4.19Å; K587-Y597 HydrophobicContact CB-CG 4.33Å; K587-Y597 HydrophobicContact CD-CE1 3.91Å; K587-Y597 HydrophobicContact CG-CD1 4.11Å; K587-Y597 HydrophobicContact CG-CE1 3.67Å; V595-Y597 PolarHBondContact O-N 3.37Å; Y597-G599 VanDerWaalsContact CZ-C 3.43Å; Y597-G599 VanDerWaalsContact OH-C 3.28Å; Y597-S600 WeakPolarHBondContact OH-CB 3.41Å; Y597-S600 PolarHBondContact OH-N 3.39Å; Y597-S600 PolarHBondContact OH-OG 2.95Å; Y597-S600 VanDerWaalsContact OH-OG 3.09Å; Y597-I609 HydrophobicContact CD2-CG2 3.98Å; Y597-I609 HydrophobicContact CE2-CG2 3.92Å
598	L	87.5	Confident	87.1	Confident	59 Å²	59	51.7 Å²	51.7	31%	0.309	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-33.7	178.2	-57.4	178.7	0	0	0	112.3	Q525 L528 I563 Q596 F610 M611	Q525-L598 PolarHBondContact NE2-O 2.93Å; L528-L598 HydrophobicContact CD1-CB 4.5Å; I563-L598 HydrophobicContact CB-CD1 4.32Å; I563-L598 HydrophobicContact CG2-CD1 3.59Å; Q596-L598 HydrophobicContact CG-CD2 4.12Å; L598-F610 HydrophobicContact CB-CB 4.07Å; L598-F610 PolarHBondContact N-O 3.07Å; L598-M611 VanDerWaalsContact CD1-C 3.47Å; L598-M611 WeakPolarHBondContact CD1-O 3.44Å
599	G	84.9	Confident	87.7	Confident	4 Å²	4	45.6 Å²	45.6	4%	0.041	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.6	-178.3	-179.1	0	0	0	0	0	113.4	Y597 F610	Y597-G599 VanDerWaalsContact CZ-C 3.43Å; Y597-G599 VanDerWaalsContact OH-C 3.28Å; G599-F610 PolarHBondContact N-O 3.3Å; G599-F610 PolarHBondContact O-N 2.69Å
600	S	86.3	Confident	87.9	Confident	51 Å²	51	45.7 Å²	45.7	36%	0.357	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	148.2	170.1	65.6	0	0	0	0	111.2	Y597 K608	Y597-S600 WeakPolarHBondContact OH-CB 3.41Å; Y597-S600 PolarHBondContact OH-N 3.39Å; Y597-S600 PolarHBondContact OH-OG 2.95Å; Y597-S600 VanDerWaalsContact OH-OG 3.09Å; S600-K608 CarbonylContact C-O 3.53Å; S600-K608 WeakPolarHBondContact CA-O 3.36Å; S600-K608 WeakPolarHBondContact CB-O 3.43Å
601	V	84.1	Confident	88	Confident	42 Å²	42	39.3 Å²	39.3	26%	0.255	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	152.7	174.3	69.1	0	0	0	0	109.7	Q603 K608 F610	V601-Q603 HydrophobicContact CG1-CB 4.43Å; V601-K608 HydrophobicContact CG1-CB 4.08Å; V601-K608 HydrophobicContact CG1-CD 4.35Å; V601-K608 PolarHBondContact N-O 3.47Å; V601-K608 PolarHBondContact O-N 2.91Å; V601-F610 HydrophobicContact CB-CE2 4.29Å; V601-F610 HydrophobicContact CG1-CE2 3.77Å; V601-F610 HydrophobicContact CG1-CZ 3.75Å
602	S	81.1	Confident	87.9	Confident	59 Å²	59	39.1 Å²	39.1	41%	0.413	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.4	161.6	-164.1	0	0	0	0	108.9	E570 F606	E570-S602 WeakPolarHBondContact OE1-CB 3.32Å; E570-S602 PolarHBondContact OE1-OG 2.72Å; E570-S602 PolarHBondContact OE2-OG 3.49Å; S602-F606 WeakPolarHBondContact CA-O 3.36Å
603	Q	78.2	Confident	87.8	Confident	80 Å²	80	33.8 Å²	33.8	37%	0.374	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	142.5	-173.6	-163.6	-157.7	-6	0	0	109.3	V601 G605 F606 K608	V601-Q603 HydrophobicContact CG1-CB 4.43Å; Q603-G605 PolarHBondContact O-N 3.37Å; Q603-G605 VanDerWaalsContact O-N 3.07Å; Q603-F606 PolarHBondContact N-O 3.33Å; Q603-F606 PolarHBondContact O-N 2.96Å; Q603-K608 HydrophobicContact CB-CD 4.39Å
604	D	79.8	Confident	87.6	Confident	116 Å²	116	34.4 Å²	34.4	62%	0.62	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	17.8	175.3	-37.9	-52.2	0	0	0	114.8	K608	D604-K608 IonicContact OD2-NZ 3.9Å; D604-K608 PolarHBondContact OD2-NZ 2.88Å
605	G	78.6	Confident	87	Confident	28 Å²	28	36.5 Å²	36.5	29%	0.289	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	18.9	-172.7	0	0	0	0	0	114.2	E570 Q603	E570-G605 VanDerWaalsContact CB-O 3.27Å; E570-G605 WeakPolarHBondContact CB-O 3.36Å; E570-G605 PolarHBondContact N-O 3.22Å; Q603-G605 PolarHBondContact O-N 3.37Å; Q603-G605 VanDerWaalsContact O-N 3.07Å
606	F	82.9	Confident	86.5	Confident	77 Å²	77	37.9 Å²	37.9	34%	0.338	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.6	173.5	-67.1	-97.1	0	0	0	111	E567 I568 P569 S602 Q603 K608	E567-F606 HydrophobicContact CB-CD1 4.22Å; I568-F606 CarbonylContact O-C 3.59Å; I568-F606 VanDerWaalsContact O-CA 3.3Å; I568-F606 WeakPolarHBondContact O-CA 3.21Å; P569-F606 HydrophobicContact CB-CE1 4.35Å; P569-F606 HydrophobicContact CG-CD1 4.32Å; P569-F606 HydrophobicContact CG-CE1 3.94Å; S602-F606 WeakPolarHBondContact CA-O 3.36Å; Q603-F606 PolarHBondContact N-O 3.33Å; Q603-F606 PolarHBondContact O-N 2.96Å; F606-K608 HydrophobicContact CB-CG 4.36Å
607	I	83.8	Confident	86.4	Confident	7 Å²	7	36.8 Å²	36.8	4%	0.036	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	121.9	163.7	-66.1	167.3	0	0	0	107.2	I568 L579 I583	I568-I607 PolarHBondContact N-O 3.01Å; I568-I607 PolarHBondContact O-N 2.7Å; L579-I607 HydrophobicContact CD2-CB 3.86Å; L579-I607 HydrophobicContact CD2-CD1 3.81Å; L579-I607 HydrophobicContact CD2-CG1 4.43Å; L579-I607 HydrophobicContact CD2-CG2 3.78Å; L579-I607 HydrophobicContact CG-CG2 4.36Å; I583-I607 HydrophobicContact CD1-CG2 3.75Å
608	K	88.1	Confident	86.6	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.017	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	122	-176.4	-50.3	-178	-176.2	177.9	0	108.7	F530 Y532 I565 K566 E567 S600 V601 Q603 D604 F606 F610	F530-K608 HydrophobicContact CZ-CD 3.93Å; Y532-K608 WeakPolarHBondContact OH-CE 3.49Å; Y532-K608 PolarHBondContact OH-NZ 3.44Å; Y532-K608 VanDerWaalsContact OH-NZ 3.07Å; I565-K608 HydrophobicContact CG2-CB 4.28Å; K566-K608 CarbonylContact O-C 3.4Å; K566-K608 WeakPolarHBondContact O-CA 3.3Å; E567-K608 HydrophobicContact CG-CG 4.32Å; S600-K608 CarbonylContact C-O 3.53Å; S600-K608 WeakPolarHBondContact CA-O 3.36Å; S600-K608 WeakPolarHBondContact CB-O 3.43Å; V601-K608 HydrophobicContact CG1-CB 4.08Å; V601-K608 HydrophobicContact CG1-CD 4.35Å; V601-K608 PolarHBondContact N-O 3.47Å; V601-K608 PolarHBondContact O-N 2.91Å; Q603-K608 HydrophobicContact CB-CD 4.39Å; D604-K608 IonicContact OD2-NZ 3.9Å; D604-K608 PolarHBondContact OD2-NZ 2.88Å; F606-K608 HydrophobicContact CB-CG 4.36Å; K608-F610 HydrophobicContact CB-CZ 4.38Å
609	I	88.8	Confident	87	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	127.6	174.4	-53.4	174.2	0	0	0	109.2	I565 K566 L579 I583 Y597 M611	I565-I609 WeakPolarHBondContact CA-O 3.29Å; K566-I609 HydrophobicContact CB-CB 4.32Å; K566-I609 PolarHBondContact N-O 3.38Å; K566-I609 PolarHBondContact O-N 3.34Å; L579-I609 HydrophobicContact CD1-CD1 3.83Å; I583-I609 HydrophobicContact CD1-CD1 3.97Å; I583-I609 HydrophobicContact CD1-CG1 3.98Å; I583-I609 HydrophobicContact CG1-CD1 3.48Å; I583-I609 VanDerWaalsContact CG1-CD1 3.48Å; I583-I609 HydrophobicContact CG1-CG1 3.85Å; Y597-I609 HydrophobicContact CD2-CG2 3.98Å; Y597-I609 HydrophobicContact CE2-CG2 3.92Å; I609-M611 HydrophobicContact CG2-CG 4.22Å
610	F	91.6	Very high	87.4	Confident	5 Å²	5	33.6 Å²	33.6	2%	0.022	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130.1	177.5	-52.2	-70.2	0	0	0	110.5	L528 F530 I563 I565 L598 G599 V601 K608	L528-F610 HydrophobicContact CD2-CD1 4.48Å; F530-F610 AromaticContact CD1-CE1 3.61Å; F530-F610 HydrophobicContact CD1-CE1 3.61Å; F530-F610 AromaticContact CD1-CZ 3.6Å; F530-F610 HydrophobicContact CD1-CZ 3.6Å; F530-F610 HydrophobicContact CD2-CE1 4.07Å; F530-F610 AromaticContact CE1-CE1 3.76Å; F530-F610 HydrophobicContact CE1-CE1 3.76Å; F530-F610 AromaticContact CE1-CZ 3.48Å; F530-F610 HydrophobicContact CE1-CZ 3.48Å; F530-F610 VanDerWaalsContact CE1-CZ 3.48Å; F530-F610 HydrophobicContact CE2-CE1 4.17Å; F530-F610 AromaticContact CG-CE1 3.79Å; F530-F610 HydrophobicContact CG-CE1 3.79Å; F530-F610 HydrophobicContact CG-CZ 4.26Å; F530-F610 HydrophobicContact CZ-CE1 4.03Å; F530-F610 HydrophobicContact CZ-CZ 4.02Å; I563-F610 HydrophobicContact CD1-CD1 3.99Å; I565-F610 HydrophobicContact CD1-CE1 4.41Å; I565-F610 HydrophobicContact CG1-CD1 4.1Å; I565-F610 HydrophobicContact CG1-CE1 4.33Å; I565-F610 HydrophobicContact CG2-CD1 4.29Å; I565-F610 HydrophobicContact CG2-CE1 4.09Å; L598-F610 HydrophobicContact CB-CB 4.07Å; L598-F610 PolarHBondContact N-O 3.07Å; G599-F610 PolarHBondContact N-O 3.3Å; G599-F610 PolarHBondContact O-N 2.69Å; V601-F610 HydrophobicContact CB-CE2 4.29Å; V601-F610 HydrophobicContact CG1-CE2 3.77Å; V601-F610 HydrophobicContact CG1-CZ 3.75Å; K608-F610 HydrophobicContact CB-CZ 4.38Å
611	M	92.9	Very high	87.7	Confident	15 Å²	15	33.4 Å²	33.4	7%	0.074	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	165.1	179.6	-62.6	169.9	-73.6	0	0	110.2	I563 A564 K566 V595 Q596 L598 I609	I563-M611 CarbonylContact C-O 3.5Å; I563-M611 WeakPolarHBondContact CA-O 3.44Å; I563-M611 WeakPolarHBondContact CB-O 3.4Å; A564-M611 HydrophobicContact CB-CB 4.33Å; A564-M611 PolarHBondContact N-O 3.5Å; A564-M611 PolarHBondContact O-N 3.25Å; K566-M611 HydrophobicContact CB-CE 3.66Å; K566-M611 HydrophobicContact CD-CE 4.38Å; V595-M611 HydrophobicContact CG1-SD 4.36Å; V595-M611 HydrophobicContact CG2-CB 4.42Å; Q596-M611 VanDerWaalsContact O-CA 3.28Å; Q596-M611 WeakPolarHBondContact O-CA 3.48Å; L598-M611 VanDerWaalsContact CD1-C 3.47Å; L598-M611 WeakPolarHBondContact CD1-O 3.44Å; I609-M611 HydrophobicContact CG2-CG 4.22Å
612	E	92.1	Very high	88.1	Confident	53 Å²	53	31.6 Å²	31.6	25%	0.248	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	141.1	170.1	74	-171.5	120.6	0	0	111.8	V595 Q596 V614 K676	V595-E612 HydrophobicContact CG2-CG 3.71Å; Q596-E612 HydrophobicContact CB-CG 4.32Å; Q596-E612 WeakPolarHBondContact CB-OE1 3.38Å; Q596-E612 PolarHBondContact N-OE1 3.42Å; Q596-E612 PolarHBondContact O-N 3.38Å; Q596-E612 VanDerWaalsContact O-N 3.12Å; E612-V614 HydrophobicContact CG-CG2 4.19Å; E612-K676 VanDerWaalsContact CD-CE 3.48Å; E612-K676 WeakPolarHBondContact OE1-CD 3.27Å; E612-K676 WeakPolarHBondContact OE1-CE 3.33Å; E612-K676 IonicContact OE1-NZ 3.96Å; E612-K676 PolarHBondContact OE1-NZ 3.42Å; E612-K676 WeakPolarHBondContact OE2-CE 3.26Å; E612-K676 IonicContact OE2-NZ 2.67Å; E612-K676 PolarHBondContact OE2-NZ 2.86Å
613	E	93.3	Very high	88.7	Confident	31 Å²	31	29 Å²	29	15%	0.145	17%	0.174	C	C	.	.			trans	-78	129.6	164.7	-174.5	-178	122.3	0	0	109.4	L543 R562 P615	L543-E613 HydrophobicContact CD1-CG 4.21Å; R562-E613 HydrophobicContact CB-CB 4.05Å; R562-E613 WeakPolarHBondContact CD-OE1 3.41Å; R562-E613 IonicContact CZ-OE1 2.69Å; R562-E613 IonicContact NE-OE1 3.65Å; R562-E613 IonicContact NH1-OE1 2.68Å; R562-E613 PolarHBondContact NH1-OE1 3.24Å; R562-E613 IonicContact NH1-OE2 3.76Å; E613-P615 WeakPolarHBondContact O-CD 3.43Å
614	V	92.3	Very high	89.3	Confident	14 Å²	14	31.4 Å²	31.4	9%	0.085	18%	0.18	C	C	.	.			trans	-99.2	105.9	179.2	-176.7	0	0	0	0	109.8	V595 E612 G616 G617 L667 N669 K676	V595-V614 HydrophobicContact CG2-CG2 4.2Å; E612-V614 HydrophobicContact CG-CG2 4.19Å; V614-G616 PolarHBondContact O-N 3.16Å; V614-G617 PolarHBondContact O-N 3.3Å; V614-L667 HydrophobicContact CB-CB 3.92Å; V614-L667 HydrophobicContact CB-CD1 4.12Å; V614-L667 HydrophobicContact CG1-CB 3.83Å; V614-L667 HydrophobicContact CG2-CB 4.08Å; V614-L667 HydrophobicContact CG2-CD1 3.86Å; V614-N669 HydrophobicContact CG1-CB 4.05Å; V614-K676 HydrophobicContact CG2-CB 4.46Å; V614-K676 HydrophobicContact CG2-CD 3.91Å
615	P	84.1	Confident	89.8	Confident	47 Å²	47	30.5 Å²	30.5	31%	0.305	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	96.1	-170.1	30.1	-36	0	0	0	111.7	E613 N669 T670 Y671	E613-P615 WeakPolarHBondContact O-CD 3.43Å; P615-N669 HydrophobicContact CG-CB 4.48Å; P615-N669 WeakPolarHBondContact CG-ND2 3.36Å; P615-N669 WeakPolarHBondContact O-CA 3.31Å; P615-T670 PolarHBondContact O-N 2.94Å; P615-T670 PolarHBondContact O-OG1 3.4Å; P615-Y671 HydrophobicContact CB-CD2 4.1Å; P615-Y671 HydrophobicContact CB-CE2 4.02Å; P615-Y671 HydrophobicContact CG-CD2 4.22Å
616	G	85	Confident	90.4	Very high	31 Å²	31	36.9 Å²	36.9	32%	0.32	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	157.5	-27.5	178	0	0	0	0	0	113.6	V614 I668	V614-G616 PolarHBondContact O-N 3.16Å; G616-I668 WeakPolarHBondContact CA-O 3.49Å
617	G	88.8	Confident	90.8	Very high	32 Å²	32	37 Å²	37	33%	0.33	20%	0.201	S	C	.	.			trans	89.2	-164.6	178.6	0	0	0	0	0	114.1	V614 L667 I668	V614-G617 PolarHBondContact O-N 3.3Å; G617-L667 WeakPolarHBondContact O-CA 3.04Å; G617-I668 PolarHBondContact O-N 3.14Å
618	S	94.4	Very high	91.2	Very high	12 Å²	12	37.9 Å²	37.9	8%	0.084	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-78.6	149.2	-178.1	74.6	0	0	0	0	113	S620 S621 L622 G663 D664 V666	S618-S620 VanDerWaalsContact C-N 3.33Å; S618-S620 PolarHBondContact O-N 3.31Å; S618-S621 WeakPolarHBondContact O-CA 3.4Å; S618-S621 WeakPolarHBondContact O-CB 3.28Å; S618-S621 PolarHBondContact O-N 2.85Å; S618-S621 WeakPolarHBondContact OG-CB 3.44Å; S618-S621 PolarHBondContact OG-N 3.15Å; S618-S621 PolarHBondContact OG-OG 2.85Å; S618-L622 PolarHBondContact O-N 3.13Å; S618-G663 WeakPolarHBondContact CB-O 3.4Å; S618-D664 WeakPolarHBondContact CB-O 3.44Å; S618-D664 PolarHBondContact OG-OD1 3.47Å; S618-V666 CarbonylContact C-O 3.54Å; S618-V666 WeakPolarHBondContact CA-O 3.41Å
619	L	95.4	Very high	91.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-55.2	-46.4	177.2	168	61.4	0	0	0	111.2	S621 L622 L623 W627 G663 V666 I668 T727 M731	L619-S621 PolarHBondContact O-N 3.27Å; L619-L622 PolarHBondContact O-N 3.31Å; L619-L623 HydrophobicContact CD1-CD1 3.83Å; L619-L623 HydrophobicContact CD1-CG 3.95Å; L619-L623 HydrophobicContact CG-CD1 3.9Å; L619-L623 HydrophobicContact CG-CG 4.46Å; L619-L623 WeakPolarHBondContact O-CB 3.22Å; L619-L623 VanDerWaalsContact O-CG 3.28Å; L619-L623 WeakPolarHBondContact O-CG 3.34Å; L619-L623 PolarHBondContact O-N 3.32Å; L619-W627 HydrophobicContact CD1-CE3 4.26Å; L619-W627 HydrophobicContact CD1-CZ3 3.7Å; L619-G663 WeakPolarHBondContact CB-O 3.36Å; L619-G663 PolarHBondContact N-O 2.92Å; L619-V666 HydrophobicContact CB-CB 4.18Å; L619-V666 HydrophobicContact CB-CG1 4.02Å; L619-V666 WeakPolarHBondContact CB-O 3.4Å; L619-V666 HydrophobicContact CD2-CB 4.41Å; L619-V666 HydrophobicContact CD2-CG1 4.01Å; L619-V666 PolarHBondContact N-O 2.63Å; L619-I668 HydrophobicContact CB-CD1 3.98Å; L619-I668 HydrophobicContact CD1-CD1 3.77Å; L619-I668 HydrophobicContact CG-CD1 4.38Å; L619-T727 HydrophobicContact CD2-CG2 3.98Å; L619-M731 HydrophobicContact CD1-CG 4.01Å; L619-M731 HydrophobicContact CD1-SD 4.27Å; L619-M731 HydrophobicContact CD2-CG 3.82Å; L619-M731 HydrophobicContact CD2-SD 3.95Å; L619-M731 HydrophobicContact CG-CG 4.33Å
620	S	93.6	Very high	91.8	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.007	24%	0.237	C	C	.	.	H	α-helix	trans	-61.4	-34.3	176.5	-51.9	0	0	0	0	112.1	S618 R624 G663 D664 E730	S618-S620 VanDerWaalsContact C-N 3.33Å; S618-S620 PolarHBondContact O-N 3.31Å; S620-R624 VanDerWaalsContact CB-NH1 3.32Å; S620-R624 VanDerWaalsContact O-CB 3.29Å; S620-R624 WeakPolarHBondContact O-CB 3.28Å; S620-R624 WeakPolarHBondContact O-CG 3.45Å; S620-R624 PolarHBondContact O-N 2.86Å; S620-R624 PolarHBondContact O-NE 3.29Å; S620-G663 PolarHBondContact N-O 3.5Å; S620-G663 VanDerWaalsContact N-O 3.16Å; S620-G663 WeakPolarHBondContact OG-CA 3.33Å; S620-D664 WeakPolarHBondContact CB-OD1 3.5Å; S620-D664 PolarHBondContact OG-N 3.46Å; S620-E730 VanDerWaalsContact CB-OE1 3.29Å; S620-E730 WeakPolarHBondContact CB-OE1 3.45Å; S620-E730 PolarHBondContact OG-OE1 3.49Å; S620-E730 PolarHBondContact OG-OE2 2.83Å
621	S	92	Very high	91.7	Very high	46 Å²	46	44.4 Å²	44.4	32%	0.322	25%	0.248	S	C	.	.	H	α-helix	trans	-72.9	-35.8	176.8	-57.7	0	0	0	0	112.4	S618 L619 R624 S625	S618-S621 WeakPolarHBondContact O-CA 3.4Å; S618-S621 WeakPolarHBondContact O-CB 3.28Å; S618-S621 PolarHBondContact O-N 2.85Å; S618-S621 WeakPolarHBondContact OG-CB 3.44Å; S618-S621 PolarHBondContact OG-N 3.15Å; S618-S621 PolarHBondContact OG-OG 2.85Å; L619-S621 PolarHBondContact O-N 3.27Å; S621-R624 PolarHBondContact OG-NH2 2.92Å; S621-S625 VanDerWaalsContact O-CB 3.25Å; S621-S625 WeakPolarHBondContact O-CB 3.35Å; S621-S625 PolarHBondContact O-N 3.45Å; S621-S625 PolarHBondContact O-OG 2.99Å
622	L	92.8	Very high	91.5	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-67.6	-41.8	173	-69.9	167.1	0	0	0	111.6	S618 L619 K626 W627 I668 T670	S618-L622 PolarHBondContact O-N 3.13Å; L619-L622 PolarHBondContact O-N 3.31Å; L622-K626 HydrophobicContact CD2-CD 4.11Å; L622-K626 CarbonylContact O-C 3.51Å; L622-K626 WeakPolarHBondContact O-CA 3.1Å; L622-K626 PolarHBondContact O-N 3.39Å; L622-W627 HydrophobicContact CB-CD2 3.92Å; L622-W627 HydrophobicContact CB-CE3 3.93Å; L622-W627 HydrophobicContact CB-CH2 4.24Å; L622-W627 HydrophobicContact CB-CZ2 4.22Å; L622-W627 HydrophobicContact CB-CZ3 4.1Å; L622-W627 HydrophobicContact CD1-CH2 3.79Å; L622-W627 HydrophobicContact CD1-CZ2 3.89Å; L622-W627 HydrophobicContact CD1-CZ3 4.34Å; L622-W627 HydrophobicContact CG-CZ2 4.45Å; L622-W627 PolarHBondContact O-N 3.45Å; L622-I668 HydrophobicContact CD1-CB 3.86Å; L622-I668 HydrophobicContact CD1-CD1 4.43Å; L622-I668 HydrophobicContact CD1-CG2 4.38Å; L622-T670 HydrophobicContact CD1-CG2 3.89Å; L622-T670 HydrophobicContact CD2-CG2 3.91Å
623	L	94.2	Very high	91.5	Very high	3 Å²	3	50 Å²	50	2%	0.016	28%	0.28	C	S	.	.	I	π-helix	trans	-61.2	-50.9	173.2	-68.8	166.8	0	0	0	111.7	L619 S625 W627 G628 L630 E730 M731	L619-L623 HydrophobicContact CD1-CD1 3.83Å; L619-L623 HydrophobicContact CD1-CG 3.95Å; L619-L623 HydrophobicContact CG-CD1 3.9Å; L619-L623 HydrophobicContact CG-CG 4.46Å; L619-L623 WeakPolarHBondContact O-CB 3.22Å; L619-L623 VanDerWaalsContact O-CG 3.28Å; L619-L623 WeakPolarHBondContact O-CG 3.34Å; L619-L623 PolarHBondContact O-N 3.32Å; L623-S625 PolarHBondContact O-N 2.74Å; L623-W627 HydrophobicContact CD2-CB 4.47Å; L623-W627 HydrophobicContact CD2-CE3 4.23Å; L623-G628 WeakPolarHBondContact CD2-O 3.49Å; L623-G628 WeakPolarHBondContact O-CA 3.42Å; L623-G628 PolarHBondContact O-N 3.31Å; L623-L630 HydrophobicContact CD2-CD1 3.8Å; L623-L630 HydrophobicContact CD2-CG 3.89Å; L623-E730 HydrophobicContact CD1-CG 3.93Å; L623-M731 HydrophobicContact CD1-CG 4.26Å
624	R	91.4	Very high	91.5	Very high	132 Å²	132	50.5 Å²	50.5	50%	0.498	28%	0.283	S	S	.	.	I	π-helix	trans	-61.3	-39.2	179.4	-74.2	178.1	-62.5	-121.6	3.8	113.2	S620 S621 D664	S620-R624 VanDerWaalsContact CB-NH1 3.32Å; S620-R624 VanDerWaalsContact O-CB 3.29Å; S620-R624 WeakPolarHBondContact O-CB 3.28Å; S620-R624 WeakPolarHBondContact O-CG 3.45Å; S620-R624 PolarHBondContact O-N 2.86Å; S620-R624 PolarHBondContact O-NE 3.29Å; S621-R624 PolarHBondContact OG-NH2 2.92Å; R624-D664 IonicContact CZ-OD1 3.26Å; R624-D664 IonicContact NH1-OD1 3.93Å; R624-D664 PolarHBondContact NH1-OD1 2.87Å; R624-D664 IonicContact NH1-OD2 2.71Å; R624-D664 PolarHBondContact NH1-OD2 3.13Å; R624-D664 IonicContact NH2-OD1 3.35Å; R624-D664 PolarHBondContact NH2-OD1 3.46Å; R624-D664 IonicContact NH2-OD2 2.72Å
625	S	89.5	Confident	91.5	Very high	97 Å²	97	53.1 Å²	53.1	68%	0.678	31%	0.306	S	S	*	.	I	π-helix	trans	-115	-11.2	-164.2	-51.7	0	0	0	0	116	S621 L623	S621-S625 VanDerWaalsContact O-CB 3.25Å; S621-S625 WeakPolarHBondContact O-CB 3.35Å; S621-S625 PolarHBondContact O-N 3.45Å; S621-S625 PolarHBondContact O-OG 2.99Å; L623-S625 PolarHBondContact O-N 2.74Å
626	K	90.9	Very high	91.9	Very high	162 Å²	162	52.8 Å²	52.8	70%	0.704	30%	0.303	S	S	*	.	I	π-helix	trans	-141.9	-37.2	-175.4	-65.7	-170.4	-179.3	178.7	0	115.6	L622	L622-K626 HydrophobicContact CD2-CD 4.11Å; L622-K626 CarbonylContact O-C 3.51Å; L622-K626 WeakPolarHBondContact O-CA 3.1Å; L622-K626 PolarHBondContact O-N 3.39Å
627	W	92.3	Very high	92.3	Very high	79 Å²	79	51.3 Å²	51.3	30%	0.299	29%	0.287	S	S	.	.	I	π-helix	trans	-103.2	-32.8	-169.2	-63.5	-13.6	0	0	0	114	L619 L622 L623 L630 Y640 I668 T670	L619-W627 HydrophobicContact CD1-CE3 4.26Å; L619-W627 HydrophobicContact CD1-CZ3 3.7Å; L622-W627 HydrophobicContact CB-CD2 3.92Å; L622-W627 HydrophobicContact CB-CE3 3.93Å; L622-W627 HydrophobicContact CB-CH2 4.24Å; L622-W627 HydrophobicContact CB-CZ2 4.22Å; L622-W627 HydrophobicContact CB-CZ3 4.1Å; L622-W627 HydrophobicContact CD1-CH2 3.79Å; L622-W627 HydrophobicContact CD1-CZ2 3.89Å; L622-W627 HydrophobicContact CD1-CZ3 4.34Å; L622-W627 HydrophobicContact CG-CZ2 4.45Å; L622-W627 PolarHBondContact O-N 3.45Å; L623-W627 HydrophobicContact CD2-CB 4.47Å; L623-W627 HydrophobicContact CD2-CE3 4.23Å; W627-L630 HydrophobicContact CB-CD2 4.23Å; W627-L630 HydrophobicContact CE3-CD1 4.1Å; W627-Y640 HydrophobicContact CH2-CD2 4.34Å; W627-Y640 AromaticContact CH2-CE2 3.44Å; W627-Y640 HydrophobicContact CH2-CE2 3.44Å; W627-Y640 VanDerWaalsContact CH2-CE2 3.44Å; W627-Y640 AromaticContact CH2-CZ 3.77Å; W627-Y640 HydrophobicContact CZ2-CE2 4.35Å; W627-Y640 HydrophobicContact CZ3-CD2 4.26Å; W627-Y640 AromaticContact CZ3-CE2 3.75Å; W627-Y640 HydrophobicContact CZ3-CE2 3.75Å; W627-I668 HydrophobicContact CH2-CD1 3.73Å; W627-I668 HydrophobicContact CH2-CG2 4.26Å; W627-I668 HydrophobicContact CZ3-CD1 3.92Å; W627-T670 HydrophobicContact CZ2-CG2 4.42Å
628	G	92.7	Very high	92.6	Very high	25 Å²	25	51.7 Å²	51.7	26%	0.258	28%	0.281	S	S	.	.			trans	64.8	-158.7	-171.9	0	0	0	0	0	113.1	L623 L630	L623-G628 WeakPolarHBondContact CD2-O 3.49Å; L623-G628 WeakPolarHBondContact O-CA 3.42Å; L623-G628 PolarHBondContact O-N 3.31Å; G628-L630 PolarHBondContact O-N 2.83Å
629	P	94	Very high	92.6	Very high	76 Å²	76	56 Å²	56	49%	0.494	30%	0.299	S	S	.	.			trans	-70.3	123.4	179.6	-16.6	31.3	0	0	0	112.5	K631 A732 T733	P629-K631 HydrophobicContact CB-CG 4.39Å; P629-A732 WeakPolarHBondContact CB-O 3.34Å; P629-T733 WeakPolarHBondContact CG-O 3.36Å
630	L	94.2	Very high	92.7	Very high	11 Å²	11	56.9 Å²	56.9	6%	0.058	30%	0.302	C	S	.	.			trans	-91.7	4.6	-178.3	-62.5	177.2	0	0	0	114.7	L623 W627 G628 D632 N633 T636 I637 M731 A732	L623-L630 HydrophobicContact CD2-CD1 3.8Å; L623-L630 HydrophobicContact CD2-CG 3.89Å; W627-L630 HydrophobicContact CB-CD2 4.23Å; W627-L630 HydrophobicContact CE3-CD1 4.1Å; G628-L630 PolarHBondContact O-N 2.83Å; L630-D632 PolarHBondContact O-N 3Å; L630-N633 CarbonylContact O-C 3.59Å; L630-N633 VanDerWaalsContact O-C 3.24Å; L630-N633 WeakPolarHBondContact O-CA 3.48Å; L630-N633 PolarHBondContact O-N 2.91Å; L630-T636 HydrophobicContact CD1-CG2 3.89Å; L630-I637 HydrophobicContact CB-CD1 4.09Å; L630-I637 HydrophobicContact CB-CG1 3.86Å; L630-I637 WeakPolarHBondContact O-CD1 3.09Å; L630-M731 VanDerWaalsContact CB-O 3.31Å; L630-M731 WeakPolarHBondContact CB-O 3.28Å; L630-M731 HydrophobicContact CD1-CB 4.39Å; L630-M731 PolarHBondContact N-O 3.49Å; L630-A732 PolarHBondContact N-O 3.11Å
631	K	89.7	Confident	92.9	Very high	61 Å²	61	56.9 Å²	56.9	27%	0.265	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-33.7	-178.7	52	168.8	-166.2	135.8	0	114.5	P629 N633 A732 P761 M764	P629-K631 HydrophobicContact CB-CG 4.39Å; K631-N633 VanDerWaalsContact C-N 3.33Å; K631-A732 HydrophobicContact CB-CB 4.13Å; K631-A732 WeakPolarHBondContact CB-O 3.36Å; K631-A732 VanDerWaalsContact CG-O 3.3Å; K631-A732 WeakPolarHBondContact CG-O 3.46Å; K631-A732 PolarHBondContact N-O 2.84Å; K631-P761 HydrophobicContact CB-CB 4.33Å; K631-P761 HydrophobicContact CB-CG 4.41Å; K631-P761 HydrophobicContact CD-CB 4.29Å; K631-M764 HydrophobicContact CB-CG 4.13Å; K631-M764 HydrophobicContact CB-SD 4.32Å
632	D	89.5	Confident	93.1	Very high	116 Å²	116	59 Å²	59	62%	0.62	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	3.9	-177.5	-49.3	-47.6	0	0	0	111.6	L630 T763	L630-D632 PolarHBondContact O-N 3Å; D632-T763 PolarHBondContact OD1-OG1 3.42Å; D632-T763 VanDerWaalsContact OD1-OG1 3.13Å
633	N	92.3	Very high	93.3	Very high	70 Å²	70	59 Å²	59	37%	0.374	31%	0.306	S	S	.	.			trans	-130.9	63.1	176	-179.8	13.9	0	0	0	110.6	L630 K631 A635 T636 I637	L630-N633 CarbonylContact O-C 3.59Å; L630-N633 VanDerWaalsContact O-C 3.24Å; L630-N633 WeakPolarHBondContact O-CA 3.48Å; L630-N633 PolarHBondContact O-N 2.91Å; K631-N633 VanDerWaalsContact C-N 3.33Å; N633-A635 PolarHBondContact O-N 3.38Å; N633-A635 VanDerWaalsContact O-N 3.11Å; N633-T636 WeakPolarHBondContact ND2-CB 3.3Å; N633-T636 PolarHBondContact ND2-OG1 3.46Å; N633-T636 PolarHBondContact O-N 2.91Å; N633-T636 VanDerWaalsContact O-N 3.11Å; N633-T636 PolarHBondContact OD1-N 3.04Å; N633-T636 PolarHBondContact OD1-OG1 3.28Å; N633-I637 PolarHBondContact O-N 3.1Å
634	E	92.6	Very high	93.5	Very high	41 Å²	41	58.9 Å²	58.9	19%	0.192	31%	0.305	C	S	.	.	H	α-helix	trans	-56.8	-26	178.5	-67.5	179.4	-167.7	0	0	113.3	T636 I637 I638 M764 S765 F794	E634-T636 VanDerWaalsContact C-N 3.31Å; E634-T636 PolarHBondContact O-N 2.9Å; E634-I637 PolarHBondContact O-N 2.72Å; E634-I637 VanDerWaalsContact O-N 3.15Å; E634-I638 WeakPolarHBondContact O-CB 3.27Å; E634-I638 WeakPolarHBondContact O-CD1 3.5Å; E634-I638 VanDerWaalsContact O-CG1 3.26Å; E634-I638 WeakPolarHBondContact O-CG1 3.37Å; E634-I638 PolarHBondContact O-N 2.83Å; E634-M764 HydrophobicContact CG-CE 4.1Å; E634-M764 VanDerWaalsContact OE1-CA 3.28Å; E634-M764 WeakPolarHBondContact OE1-CA 3.49Å; E634-M764 WeakPolarHBondContact OE1-CB 3.46Å; E634-S765 VanDerWaalsContact CD-OG 3.31Å; E634-S765 PolarHBondContact OE1-N 3.28Å; E634-S765 PolarHBondContact OE1-OG 3.29Å; E634-S765 WeakPolarHBondContact OE2-CB 3.49Å; E634-S765 PolarHBondContact OE2-OG 2.91Å; E634-F794 HydrophobicContact CB-CE2 4.41Å
635	A	91.6	Very high	93.8	Very high	69 Å²	69	52.6 Å²	52.6	57%	0.57	28%	0.281	S	S	*	.	H	α-helix	trans	-60.8	-38.7	176.9	0	0	0	0	0	112.6	N633 F639	N633-A635 PolarHBondContact O-N 3.38Å; N633-A635 VanDerWaalsContact O-N 3.11Å; A635-F639 WeakPolarHBondContact O-CB 3.49Å; A635-F639 PolarHBondContact O-N 3.44Å; A635-F639 VanDerWaalsContact O-N 3.14Å
636	T	92.2	Very high	94.2	Very high	39 Å²	39	50.6 Å²	50.6	24%	0.239	26%	0.261	C	S	.	.	H	α-helix	trans	-74	-35.2	174.1	-62.5	0	0	0	0	111.8	L630 N633 E634 F639 Y640	L630-T636 HydrophobicContact CD1-CG2 3.89Å; N633-T636 WeakPolarHBondContact ND2-CB 3.3Å; N633-T636 PolarHBondContact ND2-OG1 3.46Å; N633-T636 PolarHBondContact O-N 2.91Å; N633-T636 VanDerWaalsContact O-N 3.11Å; N633-T636 PolarHBondContact OD1-N 3.04Å; N633-T636 PolarHBondContact OD1-OG1 3.28Å; E634-T636 VanDerWaalsContact C-N 3.31Å; E634-T636 PolarHBondContact O-N 2.9Å; T636-F639 PolarHBondContact O-N 2.69Å; T636-Y640 HydrophobicContact CG2-CD2 3.71Å; T636-Y640 HydrophobicContact CG2-CE2 3.56Å; T636-Y640 WeakPolarHBondContact O-CD2 3.35Å; T636-Y640 PolarHBondContact O-N 3.43Å
637	I	94.8	Very high	94.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.9	-53.6	173	-62.7	-179.9	0	0	0	110	L630 N633 E634 F639 Y640 T641 I728 M731 A732 M764	L630-I637 HydrophobicContact CB-CD1 4.09Å; L630-I637 HydrophobicContact CB-CG1 3.86Å; L630-I637 WeakPolarHBondContact O-CD1 3.09Å; N633-I637 PolarHBondContact O-N 3.1Å; E634-I637 PolarHBondContact O-N 2.72Å; E634-I637 VanDerWaalsContact O-N 3.15Å; I637-F639 VanDerWaalsContact C-N 3.3Å; I637-F639 PolarHBondContact O-N 3.35Å; I637-Y640 PolarHBondContact O-N 2.9Å; I637-T641 WeakPolarHBondContact O-CB 3.37Å; I637-T641 PolarHBondContact O-N 3.02Å; I637-T641 PolarHBondContact O-OG1 3.33Å; I637-I728 HydrophobicContact CG2-CG2 3.91Å; I637-M731 HydrophobicContact CG1-CB 4.23Å; I637-M731 HydrophobicContact CG2-CE 4.32Å; I637-A732 HydrophobicContact CD1-CB 4.12Å; I637-M764 HydrophobicContact CD1-CE 3.76Å
638	I	94.8	Very high	94.7	Very high	40 Å²	40	39.1 Å²	39.1	21%	0.205	21%	0.213	C	C	.	.	H	α-helix	trans	-52.4	-47.7	177	-70.7	161.8	0	0	0	111.1	E634 Y640 K642 F794 L795	E634-I638 WeakPolarHBondContact O-CB 3.27Å; E634-I638 WeakPolarHBondContact O-CD1 3.5Å; E634-I638 VanDerWaalsContact O-CG1 3.26Å; E634-I638 WeakPolarHBondContact O-CG1 3.37Å; E634-I638 PolarHBondContact O-N 2.83Å; I638-Y640 PolarHBondContact O-N 3.13Å; I638-K642 VanDerWaalsContact O-CB 3.27Å; I638-K642 WeakPolarHBondContact O-CB 3.47Å; I638-K642 PolarHBondContact O-N 3.22Å; I638-F794 HydrophobicContact CD1-CD2 4.04Å; I638-F794 HydrophobicContact CD1-CE2 3.67Å; I638-F794 HydrophobicContact CD1-CZ 4.01Å; I638-F794 HydrophobicContact CG1-CD1 4.13Å; I638-F794 HydrophobicContact CG1-CD2 4.09Å; I638-F794 HydrophobicContact CG1-CE1 3.68Å; I638-F794 HydrophobicContact CG1-CE2 3.62Å; I638-F794 HydrophobicContact CG1-CG 4.32Å; I638-F794 HydrophobicContact CG1-CZ 3.41Å; I638-F794 VanDerWaalsContact CG1-CZ 3.41Å; I638-L795 HydrophobicContact CB-CD2 4.3Å; I638-L795 HydrophobicContact CG1-CD2 4.32Å; I638-L795 HydrophobicContact CG2-CD2 3.93Å
639	F	94.4	Very high	94.9	Very high	103 Å²	103	40.5 Å²	40.5	45%	0.452	21%	0.212	S	C	.	.	H	α-helix	trans	-62.8	-38.6	-176.4	179.4	-102.8	0	0	0	113.9	A635 T636 I637 Q643 G673	A635-F639 WeakPolarHBondContact O-CB 3.49Å; A635-F639 PolarHBondContact O-N 3.44Å; A635-F639 VanDerWaalsContact O-N 3.14Å; T636-F639 PolarHBondContact O-N 2.69Å; I637-F639 VanDerWaalsContact C-N 3.3Å; I637-F639 PolarHBondContact O-N 3.35Å; F639-Q643 PolarHBondContact O-NE2 3.01Å; F639-G673 VanDerWaalsContact CE1-O 3.28Å; F639-G673 WeakPolarHBondContact CE1-O 3.41Å
640	Y	96.9	Very high	95	Very high	19 Å²	19	39 Å²	39	8%	0.075	20%	0.197	C	C	.	.	H	α-helix	trans	-86.8	-39.6	177.3	-69	-51.7	0	0	0	112.9	W627 T636 I637 I638 K642 Q643 I644 I668 L675	W627-Y640 HydrophobicContact CH2-CD2 4.34Å; W627-Y640 AromaticContact CH2-CE2 3.44Å; W627-Y640 HydrophobicContact CH2-CE2 3.44Å; W627-Y640 VanDerWaalsContact CH2-CE2 3.44Å; W627-Y640 AromaticContact CH2-CZ 3.77Å; W627-Y640 HydrophobicContact CZ2-CE2 4.35Å; W627-Y640 HydrophobicContact CZ3-CD2 4.26Å; W627-Y640 AromaticContact CZ3-CE2 3.75Å; W627-Y640 HydrophobicContact CZ3-CE2 3.75Å; T636-Y640 HydrophobicContact CG2-CD2 3.71Å; T636-Y640 HydrophobicContact CG2-CE2 3.56Å; T636-Y640 WeakPolarHBondContact O-CD2 3.35Å; T636-Y640 PolarHBondContact O-N 3.43Å; I637-Y640 PolarHBondContact O-N 2.9Å; I638-Y640 PolarHBondContact O-N 3.13Å; Y640-K642 VanDerWaalsContact C-N 3.27Å; Y640-K642 PolarHBondContact O-N 3.49Å; Y640-Q643 PolarHBondContact O-N 3.04Å; Y640-I644 WeakPolarHBondContact O-CG1 3.45Å; Y640-I644 PolarHBondContact O-N 3.24Å; Y640-I668 HydrophobicContact CD1-CD1 3.97Å; Y640-I668 HydrophobicContact CD2-CD1 4.19Å; Y640-I668 HydrophobicContact CE1-CD1 3.92Å; Y640-I668 HydrophobicContact CE1-CG1 4.32Å; Y640-I668 HydrophobicContact CE1-CG2 3.69Å; Y640-I668 HydrophobicContact CE2-CD1 4.13Å; Y640-I668 HydrophobicContact CG-CD1 4.12Å; Y640-L675 HydrophobicContact CD1-CB 4.01Å; Y640-L675 HydrophobicContact CD1-CD1 3.72Å; Y640-L675 HydrophobicContact CE1-CB 4.49Å; Y640-L675 HydrophobicContact CG-CD1 4.05Å
641	T	97.3	Very high	95	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-53.3	-44.9	173.4	-65.9	0	0	0	0	111.6	I637 Q643 I644 L645 I728 M731 F771 L795	I637-T641 WeakPolarHBondContact O-CB 3.37Å; I637-T641 PolarHBondContact O-N 3.02Å; I637-T641 PolarHBondContact O-OG1 3.33Å; T641-Q643 VanDerWaalsContact C-N 3.35Å; T641-Q643 PolarHBondContact O-N 2.99Å; T641-I644 PolarHBondContact O-N 3.47Å; T641-L645 HydrophobicContact CG2-CD1 4.12Å; T641-L645 WeakPolarHBondContact O-CB 3.39Å; T641-L645 PolarHBondContact O-N 2.86Å; T641-I728 HydrophobicContact CG2-CD1 3.8Å; T641-I728 HydrophobicContact CG2-CG1 4.2Å; T641-M731 WeakPolarHBondContact OG1-CE 3.48Å; T641-F771 HydrophobicContact CG2-CE1 3.68Å; T641-F771 HydrophobicContact CG2-CZ 3.83Å; T641-L795 HydrophobicContact CG2-CD2 4.16Å
642	K	96.6	Very high	95.2	Very high	90 Å²	90	36.1 Å²	36.1	39%	0.391	18%	0.184	S	C	.	.	H	α-helix	trans	-59.5	-42.5	175.4	177.6	168.6	175.2	170.1	0	112.5	I638 Y640 L645 E646 L790 L795	I638-K642 VanDerWaalsContact O-CB 3.27Å; I638-K642 WeakPolarHBondContact O-CB 3.47Å; I638-K642 PolarHBondContact O-N 3.22Å; Y640-K642 VanDerWaalsContact C-N 3.27Å; Y640-K642 PolarHBondContact O-N 3.49Å; K642-L645 PolarHBondContact O-N 3.33Å; K642-E646 WeakPolarHBondContact CE-OE1 3.23Å; K642-E646 HydrophobicContact CG-CG 4.48Å; K642-E646 IonicContact NZ-OE1 3.99Å; K642-E646 WeakPolarHBondContact O-CG 3.42Å; K642-E646 PolarHBondContact O-N 3.38Å; K642-L790 HydrophobicContact CG-CD2 4.13Å; K642-L795 HydrophobicContact CB-CD1 4.36Å
643	Q	97.6	Very high	95.2	Very high	6 Å²	6	35 Å²	35	3%	0.028	18%	0.178	C	C	.	.	H	α-helix	trans	-70.7	-34.2	178.8	-74.8	-174.1	85.3	0	0	113.2	N593 F639 Y640 T641 L645 E646 G647 G673 L675	N593-Q643 WeakPolarHBondContact CB-O 3.3Å; N593-Q643 PolarHBondContact ND2-OE1 3.22Å; N593-Q643 VanDerWaalsContact ND2-OE1 3.08Å; F639-Q643 PolarHBondContact O-NE2 3.01Å; Y640-Q643 PolarHBondContact O-N 3.04Å; T641-Q643 VanDerWaalsContact C-N 3.35Å; T641-Q643 PolarHBondContact O-N 2.99Å; Q643-L645 VanDerWaalsContact C-N 3.33Å; Q643-E646 PolarHBondContact O-N 3.48Å; Q643-G647 PolarHBondContact O-N 3.25Å; Q643-G673 PolarHBondContact NE2-O 2.71Å; Q643-G673 PolarHBondContact OE1-O 2.8Å; Q643-L675 HydrophobicContact CB-CB 3.91Å; Q643-L675 HydrophobicContact CB-CD1 4.49Å; Q643-L675 HydrophobicContact CB-CD2 4.12Å; Q643-L675 HydrophobicContact CB-CG 4.41Å
644	I	97.8	Very high	94.9	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64	-43.3	171.4	-58.7	162.9	0	0	0	109.2	Y640 T641 G647 L648 I661 V666 L675 I677 L724 T727 M731	Y640-I644 WeakPolarHBondContact O-CG1 3.45Å; Y640-I644 PolarHBondContact O-N 3.24Å; T641-I644 PolarHBondContact O-N 3.47Å; I644-G647 PolarHBondContact O-N 3.31Å; I644-L648 HydrophobicContact CG2-CD1 4.05Å; I644-L648 HydrophobicContact CG2-CG 4.29Å; I644-L648 WeakPolarHBondContact O-CB 3.25Å; I644-L648 WeakPolarHBondContact O-CG 3.39Å; I644-L648 PolarHBondContact O-N 3.35Å; I644-I661 HydrophobicContact CG2-CG2 4.43Å; I644-V666 HydrophobicContact CD1-CG1 4.38Å; I644-V666 HydrophobicContact CG1-CG1 4.3Å; I644-L675 HydrophobicContact CB-CD2 4.48Å; I644-L675 HydrophobicContact CD1-CD1 4.16Å; I644-L675 HydrophobicContact CG1-CD1 3.65Å; I644-L675 HydrophobicContact CG1-CD2 3.67Å; I644-L675 HydrophobicContact CG1-CG 4.33Å; I644-I677 HydrophobicContact CG2-CD1 4.26Å; I644-L724 HydrophobicContact CB-CD1 4.03Å; I644-L724 HydrophobicContact CD1-CD1 4.2Å; I644-L724 HydrophobicContact CG2-CD1 3.75Å; I644-T727 HydrophobicContact CD1-CG2 4.31Å; I644-M731 HydrophobicContact CD1-CE 4.39Å
645	L	97.9	Very high	94.6	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.3	-37.1	176.5	-82.3	166.7	0	0	0	113.9	T641 K642 Q643 G647 L648 K649 L724 F771 A786 L789 L790 L795	T641-L645 HydrophobicContact CG2-CD1 4.12Å; T641-L645 WeakPolarHBondContact O-CB 3.39Å; T641-L645 PolarHBondContact O-N 2.86Å; K642-L645 PolarHBondContact O-N 3.33Å; Q643-L645 VanDerWaalsContact C-N 3.33Å; L645-G647 VanDerWaalsContact C-N 3.31Å; L645-L648 PolarHBondContact O-N 3.24Å; L645-K649 VanDerWaalsContact O-CB 3.24Å; L645-K649 WeakPolarHBondContact O-CB 3.49Å; L645-K649 PolarHBondContact O-N 3.1Å; L645-L724 HydrophobicContact CD1-CD2 4.14Å; L645-L724 HydrophobicContact CD2-CD2 3.48Å; L645-L724 VanDerWaalsContact CD2-CD2 3.48Å; L645-L724 HydrophobicContact CG-CD2 3.6Å; L645-F771 HydrophobicContact CD1-CZ 3.9Å; L645-A786 HydrophobicContact CD2-CB 3.83Å; L645-L789 HydrophobicContact CD1-CB 3.8Å; L645-L789 HydrophobicContact CD2-CB 3.99Å; L645-L789 HydrophobicContact CD2-CD1 4.15Å; L645-L790 HydrophobicContact CB-CD1 4.38Å; L645-L790 HydrophobicContact CB-CD2 3.61Å; L645-L790 HydrophobicContact CB-CG 3.8Å; L645-L790 HydrophobicContact CD1-CD2 4.47Å; L645-L795 HydrophobicContact CD1-CD1 3.67Å
646	E	97.3	Very high	94.4	Very high	56 Å²	56	33.7 Å²	33.7	26%	0.262	16%	0.16	S	C	.	.	H	α-helix	trans	-62.5	-39.5	171.8	-74.9	168.3	175.3	0	0	110.8	H591 K642 Q643 Y650 L790	H591-E646 PolarHBondContact CE1-O 3.24Å; K642-E646 WeakPolarHBondContact CE-OE1 3.23Å; K642-E646 HydrophobicContact CG-CG 4.48Å; K642-E646 IonicContact NZ-OE1 3.99Å; K642-E646 WeakPolarHBondContact O-CG 3.42Å; K642-E646 PolarHBondContact O-N 3.38Å; Q643-E646 PolarHBondContact O-N 3.48Å; E646-Y650 PolarHBondContact O-N 2.67Å; E646-L790 HydrophobicContact CG-CD2 4.08Å
647	G	96.9	Very high	94.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-67.5	-46.7	172.4	0	0	0	0	0	113.9	Q643 I644 L645 Y650 L651	Q643-G647 PolarHBondContact O-N 3.25Å; I644-G647 PolarHBondContact O-N 3.31Å; L645-G647 VanDerWaalsContact C-N 3.31Å; G647-Y650 WeakPolarHBondContact O-CB 3.25Å; G647-Y650 PolarHBondContact O-N 3.09Å; G647-L651 WeakPolarHBondContact O-CG 3.42Å; G647-L651 PolarHBondContact O-N 3.44Å; G647-L651 VanDerWaalsContact O-N 3.15Å
648	L	97	Very high	94.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.6	-43.2	178	-78.5	178.6	0	0	0	111.9	I644 L645 Y650 L651 H652 I661 I677 D720 L724	I644-L648 HydrophobicContact CG2-CD1 4.05Å; I644-L648 HydrophobicContact CG2-CG 4.29Å; I644-L648 WeakPolarHBondContact O-CB 3.25Å; I644-L648 WeakPolarHBondContact O-CG 3.39Å; I644-L648 PolarHBondContact O-N 3.35Å; L645-L648 PolarHBondContact O-N 3.24Å; L648-Y650 VanDerWaalsContact C-N 3.31Å; L648-Y650 PolarHBondContact O-N 3.08Å; L648-L651 HydrophobicContact CD2-CD1 4.5Å; L648-L651 PolarHBondContact O-N 3.38Å; L648-L651 VanDerWaalsContact O-N 3.14Å; L648-H652 VanDerWaalsContact O-CB 3.29Å; L648-H652 WeakPolarHBondContact O-CB 3.33Å; L648-H652 PolarHBondContact O-CD2 3.5Å; L648-H652 PolarHBondContact O-N 3.02Å; L648-I661 HydrophobicContact CD2-CD1 3.82Å; L648-I661 HydrophobicContact CD2-CG1 3.98Å; L648-I677 HydrophobicContact CG-CD1 4.32Å; L648-D720 HydrophobicContact CD1-CB 4.36Å; L648-D720 HydrophobicContact CD2-CB 3.88Å; L648-L724 HydrophobicContact CD1-CB 4.24Å; L648-L724 HydrophobicContact CD1-CD2 4.41Å
649	K	96.7	Very high	93.8	Very high	53 Å²	53	30.6 Å²	30.6	23%	0.23	14%	0.142	C	C	.	.	H	α-helix	trans	-56.9	-45.7	174	176.8	165.4	176	56.9	0	111.1	L645 L651 H652 D653 A786 T787 L790	L645-K649 VanDerWaalsContact O-CB 3.24Å; L645-K649 WeakPolarHBondContact O-CB 3.49Å; L645-K649 PolarHBondContact O-N 3.1Å; K649-L651 VanDerWaalsContact C-N 3.32Å; K649-L651 PolarHBondContact O-N 2.88Å; K649-H652 PolarHBondContact O-N 2.91Å; K649-D653 WeakPolarHBondContact CE-OD2 3.41Å; K649-D653 VanDerWaalsContact CG-OD2 3.31Å; K649-D653 WeakPolarHBondContact CG-OD2 3.35Å; K649-D653 IonicContact NZ-OD1 2.79Å; K649-D653 PolarHBondContact NZ-OD1 2.98Å; K649-D653 IonicContact NZ-OD2 2.75Å; K649-D653 PolarHBondContact NZ-OD2 3.5Å; K649-D653 VanDerWaalsContact O-CB 3.27Å; K649-D653 WeakPolarHBondContact O-CB 3.22Å; K649-D653 PolarHBondContact O-N 3.37Å; K649-A786 HydrophobicContact CB-CB 4.18Å; K649-T787 PolarHBondContact NZ-OG1 3.46Å; K649-L790 HydrophobicContact CB-CD1 4.05Å; K649-L790 HydrophobicContact CD-CD1 3.84Å
650	Y	96.8	Very high	93.7	Very high	46 Å²	46	26 Å²	26	18%	0.18	12%	0.121	C	C	.	.	H	α-helix	trans	-58.3	-41.5	176.5	170.8	-99	0	0	0	112.7	L589 K590 H591 I594 E646 G647 L648 N654	L589-Y650 HydrophobicContact CB-CE1 4.39Å; L589-Y650 HydrophobicContact CD2-CE1 4.1Å; K590-Y650 PolarHBondContact N-OH 2.95Å; K590-Y650 PolarHBondContact O-OH 3.31Å; H591-Y650 HydrophobicContact CB-CD1 3.55Å; H591-Y650 HydrophobicContact CB-CD2 3.85Å; H591-Y650 HydrophobicContact CB-CE1 3.7Å; H591-Y650 HydrophobicContact CB-CE2 4Å; H591-Y650 HydrophobicContact CB-CG 3.62Å; H591-Y650 AromaticContact CG-CG 3.71Å; I594-Y650 HydrophobicContact CD1-CD1 4.37Å; I594-Y650 HydrophobicContact CG1-CD1 3.88Å; I594-Y650 HydrophobicContact CG1-CE1 4.17Å; E646-Y650 PolarHBondContact O-N 2.67Å; G647-Y650 WeakPolarHBondContact O-CB 3.25Å; G647-Y650 PolarHBondContact O-N 3.09Å; L648-Y650 VanDerWaalsContact C-N 3.31Å; L648-Y650 PolarHBondContact O-N 3.08Å; Y650-N654 PolarHBondContact O-N 2.84Å; Y650-N654 PolarHBondContact O-ND2 3.38Å
651	L	93.9	Very high	93.7	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-68	-46.7	175.7	-63.9	170.8	0	0	0	111.7	L589 I594 G647 L648 K649 D653 N654 E655 I656 H658 F680	L589-L651 HydrophobicContact CD1-CD2 3.95Å; L589-L651 HydrophobicContact CD2-CD2 4.09Å; I594-L651 HydrophobicContact CD1-CD1 4.04Å; I594-L651 HydrophobicContact CD1-CD2 4.03Å; I594-L651 HydrophobicContact CD1-CG 3.99Å; G647-L651 WeakPolarHBondContact O-CG 3.42Å; G647-L651 PolarHBondContact O-N 3.44Å; G647-L651 VanDerWaalsContact O-N 3.15Å; L648-L651 HydrophobicContact CD2-CD1 4.5Å; L648-L651 PolarHBondContact O-N 3.38Å; L648-L651 VanDerWaalsContact O-N 3.14Å; K649-L651 VanDerWaalsContact C-N 3.32Å; K649-L651 PolarHBondContact O-N 2.88Å; L651-D653 PolarHBondContact O-N 3.19Å; L651-N654 CarbonylContact O-C 3.6Å; L651-N654 WeakPolarHBondContact O-CA 3.04Å; L651-N654 PolarHBondContact O-N 3.25Å; L651-E655 PolarHBondContact O-N 3.29Å; L651-I656 CarbonylContact C-O 3.43Å; L651-I656 VanDerWaalsContact C-O 3.31Å; L651-I656 HydrophobicContact CB-CB 4.28Å; L651-I656 HydrophobicContact CB-CG2 4.42Å; L651-I656 HydrophobicContact CD2-CB 4.45Å; L651-I656 HydrophobicContact CD2-CG2 4.12Å; L651-I656 PolarHBondContact O-N 2.92Å; L651-H658 HydrophobicContact CD1-CB 4.48Å; L651-F680 HydrophobicContact CD1-CE1 4.03Å; L651-F680 HydrophobicContact CD2-CE1 4.02Å
652	H	93.6	Very high	93.5	Very high	11 Å²	11	26.6 Å²	26.6	5%	0.051	13%	0.125	C	C	.	.	H	α-helix	trans	-66.1	-36.6	-177.2	-72.7	-169.2	0	0	0	112.6	L648 K649 N654 E655 I656 K717 D720	L648-H652 VanDerWaalsContact O-CB 3.29Å; L648-H652 WeakPolarHBondContact O-CB 3.33Å; L648-H652 PolarHBondContact O-CD2 3.5Å; L648-H652 PolarHBondContact O-N 3.02Å; K649-H652 PolarHBondContact O-N 2.91Å; H652-N654 PolarHBondContact O-N 3.49Å; H652-E655 PolarHBondContact O-N 3.17Å; H652-I656 PolarHBondContact CD2-O 3.43Å; H652-K717 HydrophobicContact CB-CD 4.05Å; H652-K717 HydrophobicContact CB-CG 4.45Å; H652-K717 PolarHBondContact CE1-O 2.88Å; H652-K717 VanDerWaalsContact CE1-O 3.25Å; H652-K717 WeakPolarHBondContact O-CE 3.48Å; H652-K717 PolarHBondContact O-NZ 2.95Å; H652-D720 IonicContact CD2-OD2 3.32Å; H652-D720 IonicContact CE1-OD2 3.51Å; H652-D720 IonicContact NE2-OD2 2.79Å; H652-D720 PolarHBondContact NE2-OD2 3.13Å
653	D	90.2	Very high	93.4	Very high	93 Å²	93	22.3 Å²	22.3	50%	0.497	11%	0.106	S	C	.	.	H	α-helix	trans	-69.8	-21.6	172.6	-68.5	-10.1	0	0	0	112	K649 L651	K649-D653 WeakPolarHBondContact CE-OD2 3.41Å; K649-D653 VanDerWaalsContact CG-OD2 3.31Å; K649-D653 WeakPolarHBondContact CG-OD2 3.35Å; K649-D653 IonicContact NZ-OD1 2.79Å; K649-D653 PolarHBondContact NZ-OD1 2.98Å; K649-D653 IonicContact NZ-OD2 2.75Å; K649-D653 PolarHBondContact NZ-OD2 3.5Å; K649-D653 VanDerWaalsContact O-CB 3.27Å; K649-D653 WeakPolarHBondContact O-CB 3.22Å; K649-D653 PolarHBondContact O-N 3.37Å; L651-D653 PolarHBondContact O-N 3.19Å
654	N	85.6	Confident	93.1	Very high	69 Å²	69	25.1 Å²	25.1	37%	0.369	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	12.6	174.1	-81.9	-92.5	0	0	0	113.2	Y650 L651 H652 I656	Y650-N654 PolarHBondContact O-N 2.84Å; Y650-N654 PolarHBondContact O-ND2 3.38Å; L651-N654 CarbonylContact O-C 3.6Å; L651-N654 WeakPolarHBondContact O-CA 3.04Å; L651-N654 PolarHBondContact O-N 3.25Å; H652-N654 PolarHBondContact O-N 3.49Å; N654-I656 VanDerWaalsContact C-N 3.31Å; N654-I656 HydrophobicContact CB-CD1 4.31Å; N654-I656 PolarHBondContact O-N 3.18Å
655	E	86.1	Confident	93	Very high	83 Å²	83	25.8 Å²	25.8	39%	0.388	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	38.8	-174.2	-61.7	-54.8	145	0	0	114.3	L651 H652 R685 L686 K717	L651-E655 PolarHBondContact O-N 3.29Å; H652-E655 PolarHBondContact O-N 3.17Å; E655-R685 CarbonylContact O-C 3.53Å; E655-R685 WeakPolarHBondContact O-CA 3.48Å; E655-L686 PolarHBondContact O-N 3.47Å; E655-K717 IonicContact OE1-NZ 3.62Å; E655-K717 PolarHBondContact OE1-NZ 2.91Å; E655-K717 WeakPolarHBondContact OE2-CE 3.43Å; E655-K717 IonicContact OE2-NZ 3.61Å; E655-K717 PolarHBondContact OE2-NZ 2.77Å
656	I	87.1	Confident	92.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	137.8	175.8	-63.6	168	0	0	0	109.8	L585 L589 L651 H652 N654 K684 R685	L585-I656 HydrophobicContact CD1-CD1 4.01Å; L585-I656 HydrophobicContact CD1-CG1 4.18Å; L585-I656 HydrophobicContact CD1-CG2 4.29Å; L585-I656 HydrophobicContact CD2-CD1 4.46Å; L585-I656 HydrophobicContact CG-CD1 4.13Å; L589-I656 HydrophobicContact CD2-CD1 3.76Å; L651-I656 CarbonylContact C-O 3.43Å; L651-I656 VanDerWaalsContact C-O 3.31Å; L651-I656 HydrophobicContact CB-CB 4.28Å; L651-I656 HydrophobicContact CB-CG2 4.42Å; L651-I656 HydrophobicContact CD2-CB 4.45Å; L651-I656 HydrophobicContact CD2-CG2 4.12Å; L651-I656 PolarHBondContact O-N 2.92Å; H652-I656 PolarHBondContact CD2-O 3.43Å; N654-I656 VanDerWaalsContact C-N 3.31Å; N654-I656 HydrophobicContact CB-CD1 4.31Å; N654-I656 PolarHBondContact O-N 3.18Å; I656-K684 WeakPolarHBondContact CA-O 3.23Å; I656-R685 HydrophobicContact CD1-CG 4.44Å; I656-R685 HydrophobicContact CG1-CG 3.72Å
657	V	89.8	Confident	92.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	138	173.7	177.6	0	0	0	0	108.7	R659 S683 K684 L686 G716 K717 D720	V657-R659 HydrophobicContact CB-CG 4.5Å; V657-R659 HydrophobicContact CG1-CG 3.78Å; V657-S683 VanDerWaalsContact O-CA 3.27Å; V657-S683 WeakPolarHBondContact O-CA 3.5Å; V657-K684 PolarHBondContact N-O 3.48Å; V657-K684 PolarHBondContact O-N 2.87Å; V657-K684 VanDerWaalsContact O-N 3.16Å; V657-L686 HydrophobicContact CG2-CD1 3.61Å; V657-L686 HydrophobicContact CG2-CD2 3.88Å; V657-L686 HydrophobicContact CG2-CG 3.76Å; V657-G716 WeakPolarHBondContact CG1-O 3.28Å; V657-K717 HydrophobicContact CG2-CG 4Å; V657-D720 WeakPolarHBondContact CA-OD2 3.36Å; V657-D720 WeakPolarHBondContact CG1-OD2 3.36Å
658	H	91.7	Very high	92.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.121	C	C	.	.			trans	-88.9	-39.2	-170.6	-164.1	-47.2	0	0	0	114.1	L651 D660 I661 I677 S678 D679 F680 T682 D720	L651-H658 HydrophobicContact CD1-CB 4.48Å; H658-D660 PolarHBondContact O-N 2.9Å; H658-D660 VanDerWaalsContact O-N 3.15Å; H658-I661 HydrophobicContact CB-CD1 3.76Å; H658-I661 HydrophobicContact CB-CG1 4.04Å; H658-I677 WeakPolarHBondContact CD2-CG2 3.44Å; H658-I677 WeakPolarHBondContact NE2-CG2 3.39Å; H658-S678 PolarHBondContact CE1-O 3.47Å; H658-S678 PolarHBondContact NE2-O 3.29Å; H658-D679 PolarHBondContact CE1-O 3.37Å; H658-F680 AromaticContact CD2-CE1 3.78Å; H658-F680 AromaticContact NE2-CE1 3.85Å; H658-T682 CarbonylContact O-C 3.31Å; H658-T682 PolarHBondContact O-OG1 3.06Å; H658-D720 PolarHBondContact N-OD1 2.83Å; H658-D720 PolarHBondContact N-OD2 3.3Å
659	R	89.3	Confident	92.5	Very high	14 Å²	14	26.6 Å²	26.6	5%	0.053	13%	0.131	C	C	.	.	S	Bend	trans	69.2	-0.6	172.6	-47.3	179.5	180	152.1	-6.4	117.6	V657 T682 T693 Y715 D720	V657-R659 HydrophobicContact CB-CG 4.5Å; V657-R659 HydrophobicContact CG1-CG 3.78Å; R659-T682 WeakPolarHBondContact CD-O 3.39Å; R659-T693 VanDerWaalsContact NH1-CG2 3.35Å; R659-Y715 HydrophobicContact CB-CD1 3.87Å; R659-Y715 HydrophobicContact CB-CE1 3.93Å; R659-Y715 VanDerWaalsContact CD-CD1 3.46Å; R659-Y715 HydrophobicContact CG-CD1 3.57Å; R659-Y715 HydrophobicContact CG-CE1 4.13Å; R659-Y715 HydrophobicContact CG-CG 4.26Å; R659-D720 PolarHBondContact N-OD1 2.94Å
660	D	91.6	Very high	92.1	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.027	14%	0.137	C	C	.	.			trans	-148.6	46.8	178.2	-163.2	42.2	0	0	0	111.2	H658 K662 N665 T682 G698 T699	H658-D660 PolarHBondContact O-N 2.9Å; H658-D660 VanDerWaalsContact O-N 3.15Å; D660-K662 PolarHBondContact O-N 3.34Å; D660-K662 IonicContact OD1-NZ 2.75Å; D660-K662 PolarHBondContact OD1-NZ 3.49Å; D660-K662 WeakPolarHBondContact OD2-CE 3.04Å; D660-K662 IonicContact OD2-NZ 2.86Å; D660-K662 PolarHBondContact OD2-NZ 3.24Å; D660-N665 PolarHBondContact O-ND2 2.84Å; D660-N665 PolarHBondContact OD2-ND2 2.95Å; D660-T682 HydrophobicContact CB-CG2 4.09Å; D660-T682 WeakPolarHBondContact CB-OG1 3.44Å; D660-G698 WeakPolarHBondContact OD1-CA 3.45Å; D660-T699 VanDerWaalsContact OD1-CB 3.32Å; D660-T699 WeakPolarHBondContact OD1-CB 3.44Å; D660-T699 PolarHBondContact OD1-N 3.23Å; D660-T699 PolarHBondContact OD1-OG1 3.47Å
661	I	96.1	Very high	91.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.166	C	C	.	.			trans	-72.5	117.1	172.9	-60.2	-65.6	0	0	0	108.9	I644 L648 H658 I677 Y702 D720	I644-I661 HydrophobicContact CG2-CG2 4.43Å; L648-I661 HydrophobicContact CD2-CD1 3.82Å; L648-I661 HydrophobicContact CD2-CG1 3.98Å; H658-I661 HydrophobicContact CB-CD1 3.76Å; H658-I661 HydrophobicContact CB-CG1 4.04Å; I661-I677 HydrophobicContact CD1-CD1 4.49Å; I661-I677 HydrophobicContact CD1-CG2 3.94Å; I661-Y702 WeakPolarHBondContact O-CD1 3.36Å; I661-D720 HydrophobicContact CG1-CB 4.46Å
662	K	94.6	Very high	91	Very high	32 Å²	32	37.5 Å²	37.5	14%	0.139	19%	0.188	C	C	.	.	S	Bend	trans	-158.5	158.7	-179.8	67.2	-160.2	-171.1	-159.5	0	108.9	D660 D664 N665 V666 T699 Y702	D660-K662 PolarHBondContact O-N 3.34Å; D660-K662 IonicContact OD1-NZ 2.75Å; D660-K662 PolarHBondContact OD1-NZ 3.49Å; D660-K662 WeakPolarHBondContact OD2-CE 3.04Å; D660-K662 IonicContact OD2-NZ 2.86Å; D660-K662 PolarHBondContact OD2-NZ 3.24Å; K662-D664 HydrophobicContact CG-CB 4.31Å; K662-D664 PolarHBondContact O-N 3.17Å; K662-D664 VanDerWaalsContact O-N 3.09Å; K662-N665 WeakPolarHBondContact CE-ND2 3.47Å; K662-N665 WeakPolarHBondContact CE-OD1 3.49Å; K662-N665 HydrophobicContact CG-CB 4.16Å; K662-N665 PolarHBondContact O-N 3.36Å; K662-V666 WeakPolarHBondContact O-CG2 3.46Å; K662-V666 PolarHBondContact O-N 3.21Å; K662-T699 HydrophobicContact CD-CG2 4.49Å; K662-T699 VanDerWaalsContact CD-OG1 3.25Å; K662-T699 WeakPolarHBondContact CD-OG1 3.46Å; K662-T699 PolarHBondContact NZ-OG1 2.91Å; K662-Y702 HydrophobicContact CB-CD1 3.98Å; K662-Y702 HydrophobicContact CB-CD2 3.98Å; K662-Y702 HydrophobicContact CB-CE1 3.75Å; K662-Y702 HydrophobicContact CB-CE2 3.69Å; K662-Y702 HydrophobicContact CB-CG 4.13Å
663	G	93.3	Very high	90.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-61.2	-21.4	-178.3	0	0	0	0	0	115.1	S618 L619 S620 V666 E730	S618-G663 WeakPolarHBondContact CB-O 3.4Å; L619-G663 WeakPolarHBondContact CB-O 3.36Å; L619-G663 PolarHBondContact N-O 2.92Å; S620-G663 PolarHBondContact N-O 3.5Å; S620-G663 VanDerWaalsContact N-O 3.16Å; S620-G663 WeakPolarHBondContact OG-CA 3.33Å; G663-V666 PolarHBondContact O-N 3.42Å; G663-E730 WeakPolarHBondContact CA-OE2 3.11Å; G663-E730 PolarHBondContact N-OE2 2.9Å
664	D	92.1	Very high	90.9	Very high	66 Å²	66	34 Å²	34	35%	0.353	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-73.4	-27.3	175	-78.9	-51.6	0	0	0	112.7	S618 S620 R624 K662	S618-D664 WeakPolarHBondContact CB-O 3.44Å; S618-D664 PolarHBondContact OG-OD1 3.47Å; S620-D664 WeakPolarHBondContact CB-OD1 3.5Å; S620-D664 PolarHBondContact OG-N 3.46Å; R624-D664 IonicContact CZ-OD1 3.26Å; R624-D664 IonicContact NH1-OD1 3.93Å; R624-D664 PolarHBondContact NH1-OD1 2.87Å; R624-D664 IonicContact NH1-OD2 2.71Å; R624-D664 PolarHBondContact NH1-OD2 3.13Å; R624-D664 IonicContact NH2-OD1 3.35Å; R624-D664 PolarHBondContact NH2-OD1 3.46Å; R624-D664 IonicContact NH2-OD2 2.72Å; K662-D664 HydrophobicContact CG-CB 4.31Å; K662-D664 PolarHBondContact O-N 3.17Å; K662-D664 VanDerWaalsContact O-N 3.09Å
665	N	94.6	Very high	91.5	Very high	13 Å²	13	30.8 Å²	30.8	7%	0.07	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-94.5	4.5	175.2	-68.1	-3.2	0	0	0	112.9	D660 K662 S678	D660-N665 PolarHBondContact O-ND2 2.84Å; D660-N665 PolarHBondContact OD2-ND2 2.95Å; K662-N665 WeakPolarHBondContact CE-ND2 3.47Å; K662-N665 WeakPolarHBondContact CE-OD1 3.49Å; K662-N665 HydrophobicContact CG-CB 4.16Å; K662-N665 PolarHBondContact O-N 3.36Å; N665-S678 PolarHBondContact O-N 2.84Å; N665-S678 PolarHBondContact O-OG 3.06Å; N665-S678 VanDerWaalsContact O-OG 3.06Å
666	V	96.1	Very high	92	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	104.8	179.2	171	0	0	0	0	108	S618 L619 I644 K662 G663 L675	S618-V666 CarbonylContact C-O 3.54Å; S618-V666 WeakPolarHBondContact CA-O 3.41Å; L619-V666 HydrophobicContact CB-CB 4.18Å; L619-V666 HydrophobicContact CB-CG1 4.02Å; L619-V666 WeakPolarHBondContact CB-O 3.4Å; L619-V666 HydrophobicContact CD2-CB 4.41Å; L619-V666 HydrophobicContact CD2-CG1 4.01Å; L619-V666 PolarHBondContact N-O 2.63Å; I644-V666 HydrophobicContact CD1-CG1 4.38Å; I644-V666 HydrophobicContact CG1-CG1 4.3Å; K662-V666 WeakPolarHBondContact O-CG2 3.46Å; K662-V666 PolarHBondContact O-N 3.21Å; G663-V666 PolarHBondContact O-N 3.42Å; V666-L675 HydrophobicContact CG1-CD1 3.5Å; V666-L675 HydrophobicContact CG1-CD2 3.95Å; V666-L675 HydrophobicContact CG1-CG 3.64Å
667	L	96.1	Very high	92.5	Very high	37 Å²	37	27.9 Å²	27.9	19%	0.194	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	143.6	-178.6	-53.2	-178.6	0	0	0	110.8	V614 G617 L675 K676	V614-L667 HydrophobicContact CB-CB 3.92Å; V614-L667 HydrophobicContact CB-CD1 4.12Å; V614-L667 HydrophobicContact CG1-CB 3.83Å; V614-L667 HydrophobicContact CG2-CB 4.08Å; V614-L667 HydrophobicContact CG2-CD1 3.86Å; G617-L667 WeakPolarHBondContact O-CA 3.04Å; L667-L675 CarbonylContact O-C 3.57Å; L667-L675 WeakPolarHBondContact O-CA 3.43Å; L667-K676 PolarHBondContact N-O 3.48Å; L667-K676 PolarHBondContact O-N 3.32Å
668	I	94.8	Very high	92.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	122.8	-179.2	-60.7	177.5	0	0	0	110.4	G616 G617 L619 L622 W627 Y640 T670 L675	G616-I668 WeakPolarHBondContact CA-O 3.49Å; G617-I668 PolarHBondContact O-N 3.14Å; L619-I668 HydrophobicContact CB-CD1 3.98Å; L619-I668 HydrophobicContact CD1-CD1 3.77Å; L619-I668 HydrophobicContact CG-CD1 4.38Å; L622-I668 HydrophobicContact CD1-CB 3.86Å; L622-I668 HydrophobicContact CD1-CD1 4.43Å; L622-I668 HydrophobicContact CD1-CG2 4.38Å; W627-I668 HydrophobicContact CH2-CD1 3.73Å; W627-I668 HydrophobicContact CH2-CG2 4.26Å; W627-I668 HydrophobicContact CZ3-CD1 3.92Å; Y640-I668 HydrophobicContact CD1-CD1 3.97Å; Y640-I668 HydrophobicContact CD2-CD1 4.19Å; Y640-I668 HydrophobicContact CE1-CD1 3.92Å; Y640-I668 HydrophobicContact CE1-CG1 4.32Å; Y640-I668 HydrophobicContact CE1-CG2 3.69Å; Y640-I668 HydrophobicContact CE2-CD1 4.13Å; Y640-I668 HydrophobicContact CG-CD1 4.12Å; I668-T670 PolarHBondContact O-N 2.93Å; I668-L675 HydrophobicContact CD1-CD1 4.2Å; I668-L675 HydrophobicContact CG1-CB 4.25Å; I668-L675 HydrophobicContact CG1-CD1 4.15Å; I668-L675 HydrophobicContact CG1-CG 4.16Å
669	N	91.6	Very high	92.3	Very high	36 Å²	36	29.4 Å²	29.4	19%	0.193	15%	0.152	C	C	.	.			trans	-76.9	102.3	168.5	179.4	-41.4	0	0	0	108.6	V614 P615 Y671 S672 G673 V674	V614-N669 HydrophobicContact CG1-CB 4.05Å; P615-N669 HydrophobicContact CG-CB 4.48Å; P615-N669 WeakPolarHBondContact CG-ND2 3.36Å; P615-N669 WeakPolarHBondContact O-CA 3.31Å; N669-Y671 PolarHBondContact O-N 3.44Å; N669-Y671 VanDerWaalsContact O-N 3.16Å; N669-Y671 PolarHBondContact OD1-N 3.37Å; N669-Y671 VanDerWaalsContact OD1-N 3.08Å; N669-S672 PolarHBondContact ND2-OG 3.28Å; N669-S672 PolarHBondContact O-N 3.03Å; N669-S672 PolarHBondContact OD1-N 2.87Å; N669-S672 PolarHBondContact OD1-OG 3.06Å; N669-G673 WeakPolarHBondContact O-CA 2.82Å; N669-G673 PolarHBondContact O-N 3.4Å; N669-V674 WeakPolarHBondContact CB-O 3.31Å; N669-V674 PolarHBondContact N-O 3.24Å
670	T	90	Very high	92.1	Very high	58 Å²	58	28.8 Å²	28.8	36%	0.356	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-9.9	-174	48.9	0	0	0	0	114.2	P615 L622 W627 I668	P615-T670 PolarHBondContact O-N 2.94Å; P615-T670 PolarHBondContact O-OG1 3.4Å; L622-T670 HydrophobicContact CD1-CG2 3.89Å; L622-T670 HydrophobicContact CD2-CG2 3.91Å; W627-T670 HydrophobicContact CZ2-CG2 4.42Å; I668-T670 PolarHBondContact O-N 2.93Å
671	Y	84.1	Confident	91.3	Very high	202 Å²	202	29 Å²	29	79%	0.792	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-28.3	179.4	-59.7	-92.6	0	0	0	113	P615 N669	P615-Y671 HydrophobicContact CB-CD2 4.1Å; P615-Y671 HydrophobicContact CB-CE2 4.02Å; P615-Y671 HydrophobicContact CG-CD2 4.22Å; N669-Y671 PolarHBondContact O-N 3.44Å; N669-Y671 VanDerWaalsContact O-N 3.16Å; N669-Y671 PolarHBondContact OD1-N 3.37Å; N669-Y671 VanDerWaalsContact OD1-N 3.08Å
672	S	83.8	Confident	90.2	Very high	68 Å²	68	29.2 Å²	29.2	48%	0.476	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-8.5	-179.4	61.2	0	0	0	0	114.3	N669 V674	N669-S672 PolarHBondContact ND2-OG 3.28Å; N669-S672 PolarHBondContact O-N 3.03Å; N669-S672 PolarHBondContact OD1-N 2.87Å; N669-S672 PolarHBondContact OD1-OG 3.06Å; S672-V674 PolarHBondContact O-N 2.91Å
673	G	88.9	Confident	89.5	Confident	12 Å²	12	28.5 Å²	28.5	12%	0.124	15%	0.153	C	C	.	.			trans	70.1	6.8	-174.1	0	0	0	0	0	114.2	F639 Q643 N669 L675	F639-G673 VanDerWaalsContact CE1-O 3.28Å; F639-G673 WeakPolarHBondContact CE1-O 3.41Å; Q643-G673 PolarHBondContact NE2-O 2.71Å; Q643-G673 PolarHBondContact OE1-O 2.8Å; N669-G673 WeakPolarHBondContact O-CA 2.82Å; N669-G673 PolarHBondContact O-N 3.4Å; G673-L675 PolarHBondContact O-N 3.02Å
674	V	92.8	Very high	88.7	Confident	20 Å²	20	32.5 Å²	32.5	12%	0.121	17%	0.171	C	C	.	.			trans	-77.6	122.3	179.8	179.7	0	0	0	0	110.2	R592 N669 S672 K676	R592-V674 HydrophobicContact CG-CG1 4.11Å; N669-V674 WeakPolarHBondContact CB-O 3.31Å; N669-V674 PolarHBondContact N-O 3.24Å; S672-V674 PolarHBondContact O-N 2.91Å; V674-K676 HydrophobicContact CG1-CG 4.42Å
675	L	97.1	Very high	87.7	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	140.1	174.9	175.2	156.5	0	0	0	110.4	N593 Y640 Q643 I644 V666 L667 I668 G673 I677	N593-L675 VanDerWaalsContact CA-O 3.26Å; N593-L675 WeakPolarHBondContact CA-O 3.26Å; N593-L675 WeakPolarHBondContact CB-O 3.3Å; N593-L675 PolarHBondContact ND2-O 2.86Å; Y640-L675 HydrophobicContact CD1-CB 4.01Å; Y640-L675 HydrophobicContact CD1-CD1 3.72Å; Y640-L675 HydrophobicContact CE1-CB 4.49Å; Y640-L675 HydrophobicContact CG-CD1 4.05Å; Q643-L675 HydrophobicContact CB-CB 3.91Å; Q643-L675 HydrophobicContact CB-CD1 4.49Å; Q643-L675 HydrophobicContact CB-CD2 4.12Å; Q643-L675 HydrophobicContact CB-CG 4.41Å; I644-L675 HydrophobicContact CB-CD2 4.48Å; I644-L675 HydrophobicContact CD1-CD1 4.16Å; I644-L675 HydrophobicContact CG1-CD1 3.65Å; I644-L675 HydrophobicContact CG1-CD2 3.67Å; I644-L675 HydrophobicContact CG1-CG 4.33Å; V666-L675 HydrophobicContact CG1-CD1 3.5Å; V666-L675 HydrophobicContact CG1-CD2 3.95Å; V666-L675 HydrophobicContact CG1-CG 3.64Å; L667-L675 CarbonylContact O-C 3.57Å; L667-L675 WeakPolarHBondContact O-CA 3.43Å; I668-L675 HydrophobicContact CD1-CD1 4.2Å; I668-L675 HydrophobicContact CG1-CB 4.25Å; I668-L675 HydrophobicContact CG1-CD1 4.15Å; I668-L675 HydrophobicContact CG1-CG 4.16Å; G673-L675 PolarHBondContact O-N 3.02Å; L675-I677 HydrophobicContact CD2-CG1 4.47Å
676	K	96.8	Very high	86.1	Confident	23 Å²	23	34.5 Å²	34.5	10%	0.1	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	126.2	-178.5	-76.7	170.1	171	-77.9	0	111.5	R592 N593 I594 V595 E612 V614 L667 V674	R592-K676 WeakPolarHBondContact O-CE 3.49Å; R592-K676 PolarHBondContact O-NZ 2.86Å; R592-K676 VanDerWaalsContact O-NZ 3.1Å; N593-K676 WeakPolarHBondContact O-CA 3.47Å; I594-K676 PolarHBondContact O-NZ 3.23Å; V595-K676 HydrophobicContact CB-CB 4.49Å; E612-K676 VanDerWaalsContact CD-CE 3.48Å; E612-K676 WeakPolarHBondContact OE1-CD 3.27Å; E612-K676 WeakPolarHBondContact OE1-CE 3.33Å; E612-K676 IonicContact OE1-NZ 3.96Å; E612-K676 PolarHBondContact OE1-NZ 3.42Å; E612-K676 WeakPolarHBondContact OE2-CE 3.26Å; E612-K676 IonicContact OE2-NZ 2.67Å; E612-K676 PolarHBondContact OE2-NZ 2.86Å; V614-K676 HydrophobicContact CG2-CB 4.46Å; V614-K676 HydrophobicContact CG2-CD 3.91Å; L667-K676 PolarHBondContact N-O 3.48Å; L667-K676 PolarHBondContact O-N 3.32Å; V674-K676 HydrophobicContact CG1-CG 4.42Å
677	I	96.8	Very high	83.7	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	139.5	173.1	-55.6	174.1	0	0	0	109.4	N593 I594 V595 I644 L648 H658 I661 L675 F680	N593-I677 PolarHBondContact O-N 2.9Å; I594-I677 HydrophobicContact CD1-CB 4.31Å; V595-I677 PolarHBondContact N-O 3.39Å; I644-I677 HydrophobicContact CG2-CD1 4.26Å; L648-I677 HydrophobicContact CG-CD1 4.32Å; H658-I677 WeakPolarHBondContact CD2-CG2 3.44Å; H658-I677 WeakPolarHBondContact NE2-CG2 3.39Å; I661-I677 HydrophobicContact CD1-CD1 4.49Å; I661-I677 HydrophobicContact CD1-CG2 3.94Å; L675-I677 HydrophobicContact CD2-CG1 4.47Å; I677-F680 HydrophobicContact CG2-CZ 4.4Å
678	S	92.1	Very high	81.2	Confident	15 Å²	15	36.9 Å²	36.9	11%	0.105	20%	0.203	C	C	.	.			trans	-142	173.5	-173.7	69.9	0	0	0	0	113.9	H658 N665	H658-S678 PolarHBondContact CE1-O 3.47Å; H658-S678 PolarHBondContact NE2-O 3.29Å; N665-S678 PolarHBondContact O-N 2.84Å; N665-S678 PolarHBondContact O-OG 3.06Å; N665-S678 VanDerWaalsContact O-OG 3.06Å
679	D	85.9	Confident	78.3	Confident	17 Å²	17	42.2 Å²	42.2	9%	0.091	23%	0.23	C	C	.	.			trans	59.2	69.4	-173.8	-158.4	32.3	0	0	0	114.9	T547 K566 H658 G681	T547-D679 WeakPolarHBondContact CB-OD2 3.38Å; T547-D679 PolarHBondContact N-OD2 3.32Å; T547-D679 PolarHBondContact OG1-OD2 3.45Å; K566-D679 IonicContact NZ-OD1 3.72Å; K566-D679 PolarHBondContact NZ-OD1 2.99Å; H658-D679 PolarHBondContact CE1-O 3.37Å; D679-G681 PolarHBondContact O-N 2.99Å
680	F	85.6	Confident	75.6	Confident	1 Å²	1	44.3 Å²	44.3	0%	0.004	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-70.9	4.2	179.4	-67	-75.5	0	0	0	114.5	E582 L585 H586 L589 I594 V595 L651 H658 I677 T682 S683	E582-F680 HydrophobicContact CG-CB 4.33Å; L585-F680 HydrophobicContact CD2-CB 4.2Å; L585-F680 HydrophobicContact CD2-CD1 4.42Å; L585-F680 HydrophobicContact CD2-CG 4.48Å; H586-F680 AromaticContact CD2-CD2 3.63Å; H586-F680 AromaticContact CD2-CE2 3.95Å; H586-F680 AromaticContact CE1-CD2 3.85Å; H586-F680 AromaticContact CG-CD2 3.82Å; H586-F680 AromaticContact ND1-CD2 3.96Å; H586-F680 AromaticContact NE2-CD2 3.66Å; H586-F680 AromaticContact NE2-CE2 3.74Å; L589-F680 HydrophobicContact CD1-CD1 3.8Å; L589-F680 HydrophobicContact CD1-CD2 4.22Å; L589-F680 HydrophobicContact CD1-CE1 3.77Å; L589-F680 HydrophobicContact CD1-CE2 4.18Å; L589-F680 HydrophobicContact CD1-CG 4.07Å; L589-F680 HydrophobicContact CD1-CZ 4Å; I594-F680 HydrophobicContact CD1-CE1 4.32Å; I594-F680 HydrophobicContact CD1-CZ 3.86Å; I594-F680 HydrophobicContact CG2-CE2 3.8Å; I594-F680 HydrophobicContact CG2-CZ 3.66Å; V595-F680 HydrophobicContact CG1-CE2 4.15Å; L651-F680 HydrophobicContact CD1-CE1 4.03Å; L651-F680 HydrophobicContact CD2-CE1 4.02Å; H658-F680 AromaticContact CD2-CE1 3.78Å; H658-F680 AromaticContact NE2-CE1 3.85Å; I677-F680 HydrophobicContact CG2-CZ 4.4Å; F680-T682 PolarHBondContact O-N 3.23Å; F680-S683 WeakPolarHBondContact CD1-OG 3.18Å; F680-S683 WeakPolarHBondContact O-CB 3.14Å; F680-S683 PolarHBondContact O-N 3.44Å; F680-S683 PolarHBondContact O-OG 2.95Å
681	G	73.8	Confident	73.2	Confident	8 Å²	8	45.5 Å²	45.5	8%	0.082	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-62.2	-25	-177.2	0	0	0	0	0	115.3	Y548 E582 D679	Y548-G681 VanDerWaalsContact CE2-CA 3.49Å; Y548-G681 WeakPolarHBondContact CE2-O 3.38Å; Y548-G681 PolarHBondContact OH-O 2.99Å; E582-G681 VanDerWaalsContact CD-CA 3.45Å; E582-G681 WeakPolarHBondContact OE2-CA 3.31Å; D679-G681 PolarHBondContact O-N 2.99Å
682	T	73.9	Confident	71.1	Confident	6 Å²	6	37 Å²	37	4%	0.037	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-88	-12.8	172.2	49	0	0	0	0	113.5	T547 H658 R659 D660 F680	T547-T682 HydrophobicContact CG2-CG2 4.07Å; H658-T682 CarbonylContact O-C 3.31Å; H658-T682 PolarHBondContact O-OG1 3.06Å; R659-T682 WeakPolarHBondContact CD-O 3.39Å; D660-T682 HydrophobicContact CB-CG2 4.09Å; D660-T682 WeakPolarHBondContact CB-OG1 3.44Å; F680-T682 PolarHBondContact O-N 3.23Å
683	S	80.6	Confident	69.2	Low	17 Å²	17	34 Å²	34	12%	0.119	20%	0.199	C	C	.	.			trans	-74.8	150	-173.8	-56.1	0	0	0	0	112.3	V657 F680	V657-S683 VanDerWaalsContact O-CA 3.27Å; V657-S683 WeakPolarHBondContact O-CA 3.5Å; F680-S683 WeakPolarHBondContact CD1-OG 3.18Å; F680-S683 WeakPolarHBondContact O-CB 3.14Å; F680-S683 PolarHBondContact O-N 3.44Å; F680-S683 PolarHBondContact O-OG 2.95Å
684	K	74.8	Confident	67.3	Low	84 Å²	84	40.4 Å²	40.4	37%	0.365	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	162.4	170.4	-159.7	-170.1	177.8	-171.3	0	110.3	I656 V657	I656-K684 WeakPolarHBondContact CA-O 3.23Å; V657-K684 PolarHBondContact N-O 3.48Å; V657-K684 PolarHBondContact O-N 2.87Å; V657-K684 VanDerWaalsContact O-N 3.16Å
685	R	71.3	Confident	65.7	Low	79 Å²	79	43.3 Å²	43.3	30%	0.298	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	149.7	167.5	-70.9	166.8	178.5	-107.8	-14.5	111.4	L585 E655 I656	L585-R685 HydrophobicContact CD1-CG 4.2Å; E655-R685 CarbonylContact O-C 3.53Å; E655-R685 WeakPolarHBondContact O-CA 3.48Å; I656-R685 HydrophobicContact CD1-CG 4.44Å; I656-R685 HydrophobicContact CG1-CG 3.72Å
686	L	60.7	Low	64.2	Low	41 Å²	41	48 Å²	48	22%	0.215	26%	0.264	C	S	.	.	S	Bend	trans	-90.1	-14.3	172	-66.2	178.8	0	0	0	113.2	E655 V657 G688 K717	E655-L686 PolarHBondContact O-N 3.47Å; V657-L686 HydrophobicContact CG2-CD1 3.61Å; V657-L686 HydrophobicContact CG2-CD2 3.88Å; V657-L686 HydrophobicContact CG2-CG 3.76Å; L686-G688 PolarHBondContact O-N 3.07Å; L686-K717 HydrophobicContact CD1-CD 4.36Å; L686-K717 HydrophobicContact CD1-CG 3.74Å
687	A	47.1	Very low	62.8	Low	62 Å²	62	48.2 Å²	48.2	51%	0.512	27%	0.267	S	S	.	.			trans	-68.6	113.4	171.9	0	0	0	0	0	110.4	S486	S486-A687 CarbonylContact O-C 3.52Å; S486-A687 VanDerWaalsContact O-C 3.3Å
688	G	42.7	Very low	61.9	Low	26 Å²	26	49.5 Å²	49.5	27%	0.268	28%	0.28	S	S	.	.	S	Bend	trans	160.6	151.5	175.1	0	0	0	0	0	112.1	S486 L686 N690	S486-G688 VanDerWaalsContact O-CA 3.25Å; S486-G688 WeakPolarHBondContact O-CA 3.46Å; S486-G688 PolarHBondContact O-N 2.95Å; L686-G688 PolarHBondContact O-N 3.07Å; G688-N690 CarbonylContact O-C 3.6Å; G688-N690 PolarHBondContact O-N 2.94Å
689	I	34.5	Very low	61.7	Low	111 Å²	111	50.5 Å²	50.5	57%	0.569	29%	0.286	S	S	*	.	S	Bend	trans	-57.1	-14.6	179.1	-87.7	164.7	0	0	0	113.7	P423 D487	P423-I689 HydrophobicContact CB-CG2 4.21Å; P423-I689 HydrophobicContact CG-CB 4.4Å; P423-I689 HydrophobicContact CG-CG2 4.01Å; D487-I689 VanDerWaalsContact CG-CD1 3.5Å; D487-I689 VanDerWaalsContact OD1-CB 3.22Å; D487-I689 WeakPolarHBondContact OD1-CB 3.48Å; D487-I689 WeakPolarHBondContact OD1-CD1 3.47Å; D487-I689 WeakPolarHBondContact OD1-CG1 3.28Å; D487-I689 PolarHBondContact OD1-N 2.52Å; D487-I689 WeakPolarHBondContact OD2-CD1 3.33Å; D487-I689 WeakPolarHBondContact OD2-CG1 3.41Å
690	N	35.3	Very low	61.8	Low	80 Å²	80	51.6 Å²	51.6	43%	0.428	29%	0.291	S	S	.	.			trans	-116.3	109	167.5	-110.1	-28.9	0	0	0	110.3	G688 C692	G688-N690 CarbonylContact O-C 3.6Å; G688-N690 PolarHBondContact O-N 2.94Å; N690-C692 HydrophobicContact CB-CB 4.1Å; N690-C692 PolarHBondContact O-N 3.45Å; N690-C692 WeakPolarHBondContact OD1-CB 3.23Å; N690-C692 PolarHBondContact OD1-SG 2.61Å
691	P	39.6	Very low	62.1	Low	84 Å²	84	53.3 Å²	53.3	55%	0.545	30%	0.3	S	S	.	.			trans	-63.1	-21.2	156.6	27.8	-34.3	0	0	0	110.9	T693	P691-T693 PolarHBondContact O-N 2.6Å
692	C	38.4	Very low	63.1	Low	24 Å²	24	53.2 Å²	53.2	16%	0.162	30%	0.297	C	S	.	.			trans	-55.8	120.5	168.6	-48.6	0	0	0	0	111	N690 R713	N690-C692 HydrophobicContact CB-CB 4.1Å; N690-C692 PolarHBondContact O-N 3.45Å; N690-C692 WeakPolarHBondContact OD1-CB 3.23Å; N690-C692 PolarHBondContact OD1-SG 2.61Å; C692-R713 HydrophobicContact CB-CG 4.09Å
693	T	44	Very low	64	Low	5 Å²	5	53.2 Å²	53.2	3%	0.031	30%	0.297	C	S	.	.			trans	-71.3	154.3	155.1	75.5	0	0	0	0	107.9	R659 P691 T695 P712 Y715	R659-T693 VanDerWaalsContact NH1-CG2 3.35Å; P691-T693 PolarHBondContact O-N 2.6Å; T693-T695 VanDerWaalsContact C-N 3.35Å; T693-T695 PolarHBondContact OG1-O 3.05Å; T693-P712 PolarHBondContact N-O 3.33Å; T693-P712 WeakPolarHBondContact O-CB 3.46Å; T693-P712 WeakPolarHBondContact OG1-CA 3.4Å; T693-P712 VanDerWaalsContact OG1-CB 3.26Å; T693-P712 WeakPolarHBondContact OG1-CB 3.4Å; T693-P712 PolarHBondContact OG1-O 3.17Å; T693-Y715 HydrophobicContact CG2-CD2 3.8Å; T693-Y715 HydrophobicContact CG2-CG 4.24Å; T693-Y715 WeakPolarHBondContact OG1-CD2 3.39Å
694	E	49.7	Very low	64.5	Low	146 Å²	146	52.4 Å²	52.4	68%	0.682	29%	0.291	S	S	*	.	S	Bend	trans	-91.2	-7.4	166.2	-68.1	-176.3	173.7	0	0	110.5	K425	K425-E694 IonicContact NZ-OE1 2.7Å; K425-E694 PolarHBondContact NZ-OE1 3.42Å; K425-E694 IonicContact NZ-OE2 2.66Å
695	T	58.7	Low	65.4	Low	81 Å²	81	48.5 Å²	48.5	50%	0.497	27%	0.274	S	S	.	.			trans	-116.3	130.6	-173.6	46.9	0	0	0	0	112.8	T693	T693-T695 VanDerWaalsContact C-N 3.35Å; T693-T695 PolarHBondContact OG1-O 3.05Å
696	F	66	Low	66.3	Low	97 Å²	97	45.2 Å²	45.2	43%	0.425	26%	0.262	S	S	.	.			trans	-94.2	117.6	172	-176.2	-96.2	0	0	0	108.9	L700 M703 I707 P712	F696-L700 HydrophobicContact CE1-CD2 4.47Å; F696-M703 HydrophobicContact CD1-CE 4.36Å; F696-M703 HydrophobicContact CE1-CE 3.71Å; F696-M703 HydrophobicContact CE1-SD 4.25Å; F696-M703 HydrophobicContact CE2-CE 4.2Å; F696-M703 HydrophobicContact CE2-SD 4.39Å; F696-M703 HydrophobicContact CZ-CE 3.61Å; F696-M703 HydrophobicContact CZ-SD 3.7Å; F696-I707 HydrophobicContact CD2-CG2 4.41Å; F696-I707 HydrophobicContact CE2-CG2 3.89Å; F696-P712 HydrophobicContact CB-CG 4.07Å
697	T	68.3	Low	67.7	Low	28 Å²	28	43.5 Å²	43.5	17%	0.172	25%	0.253	C	S	.	.			trans	-145.1	167.6	-167.5	51.8	0	0	0	0	112.6	M703 Y715	T697-M703 WeakPolarHBondContact O-CE 3.35Å; T697-Y715 PolarHBondContact N-OH 2.92Å; T697-Y715 VanDerWaalsContact N-OH 3.12Å; T697-Y715 PolarHBondContact O-OH 3.41Å
698	G	77.8	Confident	69.6	Low	27 Å²	27	42.4 Å²	42.4	28%	0.278	24%	0.238	S	C	.	.	S	Bend	trans	92.2	175.9	178.1	0	0	0	0	0	114.5	D660	D660-G698 WeakPolarHBondContact OD1-CA 3.45Å
699	T	86.3	Confident	71.5	Confident	36 Å²	36	45.9 Å²	45.9	22%	0.221	25%	0.251	C	S	.	.			trans	-93.4	116	-164.5	-53.1	0	0	0	0	112.4	D660 K662 Q701 Y702 M703	D660-T699 VanDerWaalsContact OD1-CB 3.32Å; D660-T699 WeakPolarHBondContact OD1-CB 3.44Å; D660-T699 PolarHBondContact OD1-N 3.23Å; D660-T699 PolarHBondContact OD1-OG1 3.47Å; K662-T699 HydrophobicContact CD-CG2 4.49Å; K662-T699 VanDerWaalsContact CD-OG1 3.25Å; K662-T699 WeakPolarHBondContact CD-OG1 3.46Å; K662-T699 PolarHBondContact NZ-OG1 2.91Å; T699-Q701 VanDerWaalsContact C-N 3.27Å; T699-Q701 HydrophobicContact CG2-CG 4.21Å; T699-Q701 PolarHBondContact O-N 3.23Å; T699-Y702 HydrophobicContact CG2-CD2 3.78Å; T699-Y702 HydrophobicContact CG2-CE2 4.15Å; T699-Y702 PolarHBondContact O-N 3.38Å; T699-M703 PolarHBondContact O-N 2.82Å
700	L	88.9	Confident	73.6	Confident	40 Å²	40	46.1 Å²	46.1	21%	0.209	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-45.1	-38.9	-170	-59.9	-173.8	0	0	0	116.8	F696 Y702 M703 P744 Q745 M748	F696-L700 HydrophobicContact CE1-CD2 4.47Å; L700-Y702 VanDerWaalsContact C-N 3.3Å; L700-Y702 PolarHBondContact O-N 3.13Å; L700-M703 HydrophobicContact CD2-CE 4.12Å; L700-M703 HydrophobicContact CD2-SD 3.74Å; L700-M703 PolarHBondContact O-N 3.28Å; L700-P744 HydrophobicContact CB-CB 4.09Å; L700-P744 HydrophobicContact CD1-CB 4.41Å; L700-Q745 HydrophobicContact CD1-CG 3.96Å; L700-M748 HydrophobicContact CB-CB 4.37Å; L700-M748 HydrophobicContact CD2-SD 3.9Å
701	Q	91.3	Very high	75.7	Confident	37 Å²	37	43 Å²	43	17%	0.173	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-79.6	-8.6	-178	66.2	-152.5	5.8	0	0	114.5	T699 P737 P744 A747	T699-Q701 VanDerWaalsContact C-N 3.27Å; T699-Q701 HydrophobicContact CG2-CG 4.21Å; T699-Q701 PolarHBondContact O-N 3.23Å; Q701-P737 HydrophobicContact CB-CG 4.26Å; Q701-P737 HydrophobicContact CG-CG 4.01Å; Q701-P737 VanDerWaalsContact O-CG 3.27Å; Q701-P737 WeakPolarHBondContact O-CG 3.47Å; Q701-P744 HydrophobicContact CB-CB 4.49Å; Q701-A747 HydrophobicContact CB-CB 4.23Å
702	Y	94.8	Very high	77	Confident	6 Å²	6	40.9 Å²	40.9	2%	0.024	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-106.5	-4.2	172.6	-62.2	-97.1	0	0	0	112.4	I661 K662 T699 L700 S723 C726 E730 P737	I661-Y702 WeakPolarHBondContact O-CD1 3.36Å; K662-Y702 HydrophobicContact CB-CD1 3.98Å; K662-Y702 HydrophobicContact CB-CD2 3.98Å; K662-Y702 HydrophobicContact CB-CE1 3.75Å; K662-Y702 HydrophobicContact CB-CE2 3.69Å; K662-Y702 HydrophobicContact CB-CG 4.13Å; T699-Y702 HydrophobicContact CG2-CD2 3.78Å; T699-Y702 HydrophobicContact CG2-CE2 4.15Å; T699-Y702 PolarHBondContact O-N 3.38Å; L700-Y702 VanDerWaalsContact C-N 3.3Å; L700-Y702 PolarHBondContact O-N 3.13Å; Y702-S723 PolarHBondContact O-OG 3.43Å; Y702-C726 HydrophobicContact CD1-CB 3.43Å; Y702-C726 VanDerWaalsContact CD1-CB 3.43Å; Y702-C726 HydrophobicContact CE1-CB 4.03Å; Y702-C726 HydrophobicContact CG-CB 4.19Å; Y702-E730 PolarHBondContact OH-OE1 3.48Å; Y702-E730 PolarHBondContact OH-OE2 3.03Å; Y702-P737 HydrophobicContact CD1-CG 4.02Å; Y702-P737 HydrophobicContact CD2-CG 4.24Å; Y702-P737 HydrophobicContact CE1-CG 3.75Å; Y702-P737 HydrophobicContact CE2-CG 4.04Å; Y702-P737 HydrophobicContact CG-CG 4.22Å; Y702-P737 VanDerWaalsContact OH-CD 3.27Å; Y702-P737 WeakPolarHBondContact OH-CD 3.44Å
703	M	92.5	Very high	78.5	Confident	7 Å²	7	48.1 Å²	48.1	3%	0.034	25%	0.246	C	C	.	.			trans	-68	136.4	-175.5	-77.3	-177.9	162.5	0	0	112.7	F696 T697 T699 L700 I707 I708 W722	F696-M703 HydrophobicContact CD1-CE 4.36Å; F696-M703 HydrophobicContact CE1-CE 3.71Å; F696-M703 HydrophobicContact CE1-SD 4.25Å; F696-M703 HydrophobicContact CE2-CE 4.2Å; F696-M703 HydrophobicContact CE2-SD 4.39Å; F696-M703 HydrophobicContact CZ-CE 3.61Å; F696-M703 HydrophobicContact CZ-SD 3.7Å; T697-M703 WeakPolarHBondContact O-CE 3.35Å; T699-M703 PolarHBondContact O-N 2.82Å; L700-M703 HydrophobicContact CD2-CE 4.12Å; L700-M703 HydrophobicContact CD2-SD 3.74Å; L700-M703 PolarHBondContact O-N 3.28Å; M703-I707 HydrophobicContact CE-CG2 4.44Å; M703-I707 HydrophobicContact SD-CG2 4.34Å; M703-I708 HydrophobicContact CB-CD1 4.15Å; M703-I708 HydrophobicContact CB-CG1 4.18Å; M703-W722 PolarHBondContact O-NE1 3.25Å
704	A	93.1	Very high	79.9	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.249	C	C	.	.			trans	-75.1	149.9	174.9	0	0	0	0	0	112	E706 I707 I708 A719 W722	A704-E706 VanDerWaalsContact C-N 3.27Å; A704-E706 VanDerWaalsContact CB-CD 3.45Å; A704-E706 WeakPolarHBondContact CB-OE1 3.11Å; A704-E706 WeakPolarHBondContact CB-OE2 3.49Å; A704-E706 PolarHBondContact O-N 2.96Å; A704-I707 HydrophobicContact CB-CD1 4.16Å; A704-I707 WeakPolarHBondContact O-CB 3.16Å; A704-I707 PolarHBondContact O-N 2.97Å; A704-I707 VanDerWaalsContact O-N 3.13Å; A704-I708 PolarHBondContact O-N 2.9Å; A704-A719 HydrophobicContact CB-CB 3.99Å; A704-W722 VanDerWaalsContact CA-CD1 3.47Å; A704-W722 HydrophobicContact CB-CB 3.71Å; A704-W722 HydrophobicContact CB-CD2 4.33Å; A704-W722 HydrophobicContact CB-CG 3.71Å
705	P	92.9	Very high	81.3	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.013	22%	0.217	C	C	.	.	H	α-helix	trans	-59.7	-34	-175.3	22.2	-33	0	0	0	113.7	I707 I708 D709 W722 V751 K755	P705-I707 VanDerWaalsContact C-N 3.33Å; P705-I707 PolarHBondContact O-N 3.33Å; P705-I708 PolarHBondContact O-N 3.09Å; P705-D709 PolarHBondContact O-N 2.84Å; P705-W722 HydrophobicContact CG-CE3 4.27Å; P705-W722 HydrophobicContact CG-CH2 4.29Å; P705-W722 HydrophobicContact CG-CZ3 4.04Å; P705-V751 HydrophobicContact CB-CG1 4.07Å; P705-K755 HydrophobicContact CB-CD 3.54Å; P705-K755 HydrophobicContact CG-CD 4.41Å
706	E	90.4	Very high	82.6	Confident	10 Å²	10	38.7 Å²	38.7	5%	0.047	20%	0.204	C	C	.	.	H	α-helix	trans	-66.9	-31	178.6	66.5	-81.9	-170.1	0	0	113.2	A704 I708 Q710 G714 P780 R783	A704-E706 VanDerWaalsContact C-N 3.27Å; A704-E706 VanDerWaalsContact CB-CD 3.45Å; A704-E706 WeakPolarHBondContact CB-OE1 3.11Å; A704-E706 WeakPolarHBondContact CB-OE2 3.49Å; A704-E706 PolarHBondContact O-N 2.96Å; E706-I708 VanDerWaalsContact C-N 3.32Å; E706-Q710 VanDerWaalsContact O-CB 3.27Å; E706-Q710 WeakPolarHBondContact O-CB 2.87Å; E706-Q710 WeakPolarHBondContact O-CG 3.42Å; E706-Q710 PolarHBondContact O-N 3.15Å; E706-G714 VanDerWaalsContact CG-O 3.31Å; E706-G714 WeakPolarHBondContact CG-O 3.42Å; E706-P780 HydrophobicContact CB-CG 4.19Å; E706-P780 HydrophobicContact CG-CB 4.16Å; E706-P780 HydrophobicContact CG-CG 4.25Å; E706-R783 IonicContact OE1-CZ 3.66Å; E706-R783 IonicContact OE1-NH1 3.55Å; E706-R783 PolarHBondContact OE1-NH1 3.32Å; E706-R783 IonicContact OE1-NH2 3.55Å; E706-R783 IonicContact OE2-CZ 2.72Å; E706-R783 IonicContact OE2-NH1 2.7Å; E706-R783 PolarHBondContact OE2-NH1 2.84Å; E706-R783 IonicContact OE2-NH2 2.85Å; E706-R783 PolarHBondContact OE2-NH2 3.01Å
707	I	89.2	Confident	83.9	Confident	4 Å²	4	37 Å²	37	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-69.9	-33.3	173.4	-67.7	162.5	0	0	0	110.7	F696 M703 A704 P705 G711 Y715 A719	F696-I707 HydrophobicContact CD2-CG2 4.41Å; F696-I707 HydrophobicContact CE2-CG2 3.89Å; M703-I707 HydrophobicContact CE-CG2 4.44Å; M703-I707 HydrophobicContact SD-CG2 4.34Å; A704-I707 HydrophobicContact CB-CD1 4.16Å; A704-I707 WeakPolarHBondContact O-CB 3.16Å; A704-I707 PolarHBondContact O-N 2.97Å; A704-I707 VanDerWaalsContact O-N 3.13Å; P705-I707 VanDerWaalsContact C-N 3.33Å; P705-I707 PolarHBondContact O-N 3.33Å; I707-G711 WeakPolarHBondContact O-CA 3.48Å; I707-G711 PolarHBondContact O-N 2.96Å; I707-Y715 HydrophobicContact CD1-CD1 3.48Å; I707-Y715 VanDerWaalsContact CD1-CD1 3.48Å; I707-Y715 HydrophobicContact CD1-CE1 3.38Å; I707-Y715 HydrophobicContact CD1-CG 4.38Å; I707-Y715 HydrophobicContact CG1-CD1 3.78Å; I707-Y715 HydrophobicContact CG1-CE1 3.78Å; I707-Y715 HydrophobicContact CG1-CG 4.21Å; I707-Y715 HydrophobicContact CG2-CE1 3.9Å; I707-Y715 HydrophobicContact CG2-CE2 4.12Å; I707-Y715 VanDerWaalsContact CG2-OH 3.32Å; I707-Y715 WeakPolarHBondContact CG2-OH 3.18Å; I707-A719 HydrophobicContact CD1-CB 3.58Å; I707-A719 HydrophobicContact CG1-CB 4.35Å
708	I	86.7	Confident	85.1	Confident	39 Å²	39	37 Å²	37	20%	0.2	20%	0.198	C	C	.	.	H	α-helix	trans	-77.3	-37.7	-177.9	-59.2	168.8	0	0	0	110.5	M703 A704 P705 E706 M748 V751	M703-I708 HydrophobicContact CB-CD1 4.15Å; M703-I708 HydrophobicContact CB-CG1 4.18Å; A704-I708 PolarHBondContact O-N 2.9Å; P705-I708 PolarHBondContact O-N 3.09Å; E706-I708 VanDerWaalsContact C-N 3.32Å; I708-M748 HydrophobicContact CD1-CG 3.82Å; I708-M748 HydrophobicContact CG1-CG 3.99Å; I708-M748 HydrophobicContact CG2-CG 4.17Å; I708-V751 HydrophobicContact CD1-CB 3.78Å; I708-V751 HydrophobicContact CD1-CG1 3.73Å
709	D	83.3	Confident	85.9	Confident	99 Å²	99	35.8 Å²	35.8	53%	0.529	18%	0.184	S	C	.	.	H	α-helix	trans	-78.4	-46.3	178.4	-70.5	4.5	0	0	0	113	P705 K755	P705-D709 PolarHBondContact O-N 2.84Å; D709-K755 IonicContact OD1-NZ 2.69Å; D709-K755 PolarHBondContact OD1-NZ 2.88Å; D709-K755 WeakPolarHBondContact OD2-CE 3.35Å; D709-K755 IonicContact OD2-NZ 2.69Å; D709-K755 PolarHBondContact OD2-NZ 2.85Å
710	Q	78.7	Confident	86.3	Confident	117 Å²	117	34 Å²	34	55%	0.547	17%	0.174	S	C	.	.	H	α-helix	trans	-100.7	-1.9	-171.9	-48	-173.8	20.8	0	0	112.8	E706 R713	E706-Q710 VanDerWaalsContact O-CB 3.27Å; E706-Q710 WeakPolarHBondContact O-CB 2.87Å; E706-Q710 WeakPolarHBondContact O-CG 3.42Å; E706-Q710 PolarHBondContact O-N 3.15Å; Q710-R713 HydrophobicContact CB-CB 4.24Å; Q710-R713 WeakPolarHBondContact O-CB 3.45Å; Q710-R713 PolarHBondContact O-N 3.26Å
711	G	79.2	Confident	86.8	Confident	15 Å²	15	32.2 Å²	32.2	16%	0.155	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	60.4	-139.2	-178.7	0	0	0	0	0	112.1	I707 R713 G714	I707-G711 WeakPolarHBondContact O-CA 3.48Å; I707-G711 PolarHBondContact O-N 2.96Å; G711-R713 PolarHBondContact O-N 3.36Å; G711-G714 PolarHBondContact O-N 3.43Å
712	P	68	Low	87.1	Confident	39 Å²	39	30.4 Å²	30.4	25%	0.253	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-50.5	-10.5	173	-31.4	39.4	0	0	0	117.2	T693 F696	T693-P712 PolarHBondContact N-O 3.33Å; T693-P712 WeakPolarHBondContact O-CB 3.46Å; T693-P712 WeakPolarHBondContact OG1-CA 3.4Å; T693-P712 VanDerWaalsContact OG1-CB 3.26Å; T693-P712 WeakPolarHBondContact OG1-CB 3.4Å; T693-P712 PolarHBondContact OG1-O 3.17Å; F696-P712 HydrophobicContact CB-CG 4.07Å
713	R	68.5	Low	87.2	Confident	175 Å²	175	30.4 Å²	30.4	66%	0.66	16%	0.156	S	C	*	.	G	3₁₀ helix	trans	-89.3	-18.6	177.1	-53.3	-167	171.7	151.5	0.3	114.2	C692 Q710 G711 Y715	C692-R713 HydrophobicContact CB-CG 4.09Å; Q710-R713 HydrophobicContact CB-CB 4.24Å; Q710-R713 WeakPolarHBondContact O-CB 3.45Å; Q710-R713 PolarHBondContact O-N 3.26Å; G711-R713 PolarHBondContact O-N 3.36Å; R713-Y715 VanDerWaalsContact C-N 3.35Å; R713-Y715 PolarHBondContact O-N 3.15Å
714	G	73.8	Confident	87.4	Confident	8 Å²	8	30 Å²	30	8%	0.082	16%	0.155	C	C	.	.			trans	-81.5	-0.3	-177.4	0	0	0	0	0	115.9	E706 G711 G716	E706-G714 VanDerWaalsContact CG-O 3.31Å; E706-G714 WeakPolarHBondContact CG-O 3.42Å; G711-G714 PolarHBondContact O-N 3.43Å; G714-G716 PolarHBondContact O-N 3.06Å
715	Y	79.4	Confident	87.6	Confident	5 Å²	5	30 Å²	30	2%	0.02	16%	0.155	C	C	.	.			trans	-79.5	87	-176.6	-68.7	-75.5	0	0	0	113.3	R659 T693 T697 I707 R713	R659-Y715 HydrophobicContact CB-CD1 3.87Å; R659-Y715 HydrophobicContact CB-CE1 3.93Å; R659-Y715 VanDerWaalsContact CD-CD1 3.46Å; R659-Y715 HydrophobicContact CG-CD1 3.57Å; R659-Y715 HydrophobicContact CG-CE1 4.13Å; R659-Y715 HydrophobicContact CG-CG 4.26Å; T693-Y715 HydrophobicContact CG2-CD2 3.8Å; T693-Y715 HydrophobicContact CG2-CG 4.24Å; T693-Y715 WeakPolarHBondContact OG1-CD2 3.39Å; T697-Y715 PolarHBondContact N-OH 2.92Å; T697-Y715 VanDerWaalsContact N-OH 3.12Å; T697-Y715 PolarHBondContact O-OH 3.41Å; I707-Y715 HydrophobicContact CD1-CD1 3.48Å; I707-Y715 VanDerWaalsContact CD1-CD1 3.48Å; I707-Y715 HydrophobicContact CD1-CE1 3.38Å; I707-Y715 HydrophobicContact CD1-CG 4.38Å; I707-Y715 HydrophobicContact CG1-CD1 3.78Å; I707-Y715 HydrophobicContact CG1-CE1 3.78Å; I707-Y715 HydrophobicContact CG1-CG 4.21Å; I707-Y715 HydrophobicContact CG2-CE1 3.9Å; I707-Y715 HydrophobicContact CG2-CE2 4.12Å; I707-Y715 VanDerWaalsContact CG2-OH 3.32Å; I707-Y715 WeakPolarHBondContact CG2-OH 3.18Å; R713-Y715 VanDerWaalsContact C-N 3.35Å; R713-Y715 PolarHBondContact O-N 3.15Å
716	G	86.3	Confident	87.9	Confident	22 Å²	22	30 Å²	30	23%	0.227	15%	0.154	C	C	.	.	S	Bend	trans	-112.3	178.6	168.9	0	0	0	0	0	113.8	V657 G714 P718 A719	V657-G716 WeakPolarHBondContact CG1-O 3.28Å; G714-G716 PolarHBondContact O-N 3.06Å; G716-P718 VanDerWaalsContact C-N 3.28Å; G716-A719 WeakPolarHBondContact O-CB 3.3Å; G716-A719 PolarHBondContact O-N 3.26Å; G716-A719 VanDerWaalsContact O-N 3.08Å
717	K	92.9	Very high	88.2	Confident	60 Å²	60	29.5 Å²	29.5	26%	0.261	15%	0.152	S	C	.	.	H	α-helix	trans	-51.7	-38.3	171.6	-55.4	-179.9	-173.3	-173.9	0	113.2	H652 E655 V657 L686 A719 D720	H652-K717 HydrophobicContact CB-CD 4.05Å; H652-K717 HydrophobicContact CB-CG 4.45Å; H652-K717 PolarHBondContact CE1-O 2.88Å; H652-K717 VanDerWaalsContact CE1-O 3.25Å; H652-K717 WeakPolarHBondContact O-CE 3.48Å; H652-K717 PolarHBondContact O-NZ 2.95Å; E655-K717 IonicContact OE1-NZ 3.62Å; E655-K717 PolarHBondContact OE1-NZ 2.91Å; E655-K717 WeakPolarHBondContact OE2-CE 3.43Å; E655-K717 IonicContact OE2-NZ 3.61Å; E655-K717 PolarHBondContact OE2-NZ 2.77Å; V657-K717 HydrophobicContact CG2-CG 4Å; L686-K717 HydrophobicContact CD1-CD 4.36Å; L686-K717 HydrophobicContact CD1-CG 3.74Å; K717-A719 PolarHBondContact O-N 3.48Å; K717-D720 PolarHBondContact O-N 3.35Å
718	P	93.9	Very high	88.6	Confident	30 Å²	30	29.3 Å²	29.3	20%	0.195	15%	0.151	C	C	.	.	H	α-helix	trans	-59.6	-26.2	176	-28.3	38.1	0	0	0	115.2	G716 I721 W722 P780 R783	G716-P718 VanDerWaalsContact C-N 3.28Å; P718-I721 WeakPolarHBondContact O-CB 3.22Å; P718-I721 PolarHBondContact O-N 3.17Å; P718-W722 PolarHBondContact O-N 3.03Å; P718-W722 VanDerWaalsContact O-N 3.13Å; P718-P780 HydrophobicContact CB-CB 3.82Å; P718-P780 WeakPolarHBondContact CB-O 3.28Å; P718-P780 HydrophobicContact CG-CB 4.06Å; P718-P780 WeakPolarHBondContact CG-O 3.47Å; P718-R783 VanDerWaalsContact C-NH1 3.3Å; P718-R783 HydrophobicContact CB-CB 4.3Å; P718-R783 WeakPolarHBondContact O-CD 3.27Å; P718-R783 PolarHBondContact O-NH1 2.88Å
719	A	93.6	Very high	89.1	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-71.9	-33.9	-178.4	0	0	0	0	0	112.7	A704 I707 G716 K717 I721 W722 S723	A704-A719 HydrophobicContact CB-CB 3.99Å; I707-A719 HydrophobicContact CD1-CB 3.58Å; I707-A719 HydrophobicContact CG1-CB 4.35Å; G716-A719 WeakPolarHBondContact O-CB 3.3Å; G716-A719 PolarHBondContact O-N 3.26Å; G716-A719 VanDerWaalsContact O-N 3.08Å; K717-A719 PolarHBondContact O-N 3.48Å; A719-I721 PolarHBondContact O-N 3.08Å; A719-W722 PolarHBondContact O-N 3.25Å; A719-S723 WeakPolarHBondContact O-CB 3.16Å; A719-S723 PolarHBondContact O-N 3.44Å; A719-S723 PolarHBondContact O-OG 3.39Å
720	D	95.9	Very high	89.7	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.9	-30.2	170.9	-74	-20.6	0	0	0	111.2	L648 H652 V657 H658 R659 I661 K717 S723 L724	L648-D720 HydrophobicContact CD1-CB 4.36Å; L648-D720 HydrophobicContact CD2-CB 3.88Å; H652-D720 IonicContact CD2-OD2 3.32Å; H652-D720 IonicContact CE1-OD2 3.51Å; H652-D720 IonicContact NE2-OD2 2.79Å; H652-D720 PolarHBondContact NE2-OD2 3.13Å; V657-D720 WeakPolarHBondContact CA-OD2 3.36Å; V657-D720 WeakPolarHBondContact CG1-OD2 3.36Å; H658-D720 PolarHBondContact N-OD1 2.83Å; H658-D720 PolarHBondContact N-OD2 3.3Å; R659-D720 PolarHBondContact N-OD1 2.94Å; I661-D720 HydrophobicContact CG1-CB 4.46Å; K717-D720 PolarHBondContact O-N 3.35Å; D720-S723 PolarHBondContact O-N 3.05Å; D720-L724 WeakPolarHBondContact O-CB 3.22Å; D720-L724 PolarHBondContact O-N 2.99Å
721	I	97.9	Very high	90.6	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	9%	0.092	C	C	.	.	H	α-helix	trans	-72.8	-41.6	177.7	-53.3	-56.1	0	0	0	111.6	P718 A719 S723 L724 G725 C775 R783 A784 A786 L789	P718-I721 WeakPolarHBondContact O-CB 3.22Å; P718-I721 PolarHBondContact O-N 3.17Å; A719-I721 PolarHBondContact O-N 3.08Å; I721-S723 VanDerWaalsContact C-N 3.28Å; I721-S723 PolarHBondContact O-N 2.68Å; I721-L724 WeakPolarHBondContact O-CB 3.5Å; I721-L724 PolarHBondContact O-N 2.92Å; I721-G725 PolarHBondContact O-N 3.08Å; I721-C775 HydrophobicContact CG2-CB 4.1Å; I721-R783 HydrophobicContact CG2-CG 4.46Å; I721-A784 WeakPolarHBondContact CG2-O 3.49Å; I721-A786 HydrophobicContact CD1-CB 4.04Å; I721-L789 HydrophobicContact CD1-CD1 4.42Å; I721-L789 HydrophobicContact CG2-CD1 3.56Å
722	W	97.3	Very high	91.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.6	-42.4	171.1	179.7	-78.2	0	0	0	111.1	M703 A704 P705 P718 A719 L724 G725 C726 V751 H757 C775 F776	M703-W722 PolarHBondContact O-NE1 3.25Å; A704-W722 VanDerWaalsContact CA-CD1 3.47Å; A704-W722 HydrophobicContact CB-CB 3.71Å; A704-W722 HydrophobicContact CB-CD2 4.33Å; A704-W722 HydrophobicContact CB-CG 3.71Å; P705-W722 HydrophobicContact CG-CE3 4.27Å; P705-W722 HydrophobicContact CG-CH2 4.29Å; P705-W722 HydrophobicContact CG-CZ3 4.04Å; P718-W722 PolarHBondContact O-N 3.03Å; P718-W722 VanDerWaalsContact O-N 3.13Å; A719-W722 PolarHBondContact O-N 3.25Å; W722-L724 VanDerWaalsContact C-N 3.34Å; W722-L724 PolarHBondContact O-N 3.27Å; W722-G725 PolarHBondContact O-N 2.99Å; W722-G725 VanDerWaalsContact O-N 3.14Å; W722-C726 PolarHBondContact O-N 3.33Å; W722-V751 HydrophobicContact CH2-CG1 4.36Å; W722-V751 HydrophobicContact CZ2-CG1 3.72Å; W722-V751 HydrophobicContact CZ2-CG2 4.44Å; W722-H757 HydrophobicContact CH2-CB 4.12Å; W722-H757 HydrophobicContact CZ2-CB 4.4Å; W722-C775 WeakPolarHBondContact CA-O 3.39Å; W722-F776 AromaticContact CD2-CD1 3.87Å; W722-F776 HydrophobicContact CD2-CD1 3.87Å; W722-F776 HydrophobicContact CD2-CE1 4.38Å; W722-F776 HydrophobicContact CE3-CB 4.45Å; W722-F776 AromaticContact CE3-CD1 3.86Å; W722-F776 HydrophobicContact CE3-CD1 3.86Å; W722-F776 HydrophobicContact CG-CD1 4.45Å; W722-F776 HydrophobicContact CH2-CD1 4.24Å; W722-F776 HydrophobicContact CZ2-CD1 4.27Å; W722-F776 HydrophobicContact CZ3-CB 4.13Å; W722-F776 HydrophobicContact CZ3-CD1 4.05Å
723	S	97.2	Very high	92.6	Very high	5 Å²	5	17 Å²	17	4%	0.035	9%	0.086	C	C	.	.	H	α-helix	trans	-63.8	-36.6	176.5	-53.8	0	0	0	0	112.3	Y702 A719 D720 I721 C726 T727	Y702-S723 PolarHBondContact O-OG 3.43Å; A719-S723 WeakPolarHBondContact O-CB 3.16Å; A719-S723 PolarHBondContact O-N 3.44Å; A719-S723 PolarHBondContact O-OG 3.39Å; D720-S723 PolarHBondContact O-N 3.05Å; I721-S723 VanDerWaalsContact C-N 3.28Å; I721-S723 PolarHBondContact O-N 2.68Å; S723-C726 WeakPolarHBondContact O-CB 3.44Å; S723-C726 PolarHBondContact O-N 2.97Å; S723-T727 PolarHBondContact O-N 3.12Å; S723-T727 PolarHBondContact O-OG1 2.66Å
724	L	97.9	Very high	93.8	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-62.1	-47.8	168.8	167.5	68.5	0	0	0	111.4	I644 L645 L648 D720 I721 W722 C726 T727 I728 L789	I644-L724 HydrophobicContact CB-CD1 4.03Å; I644-L724 HydrophobicContact CD1-CD1 4.2Å; I644-L724 HydrophobicContact CG2-CD1 3.75Å; L645-L724 HydrophobicContact CD1-CD2 4.14Å; L645-L724 HydrophobicContact CD2-CD2 3.48Å; L645-L724 VanDerWaalsContact CD2-CD2 3.48Å; L645-L724 HydrophobicContact CG-CD2 3.6Å; L648-L724 HydrophobicContact CD1-CB 4.24Å; L648-L724 HydrophobicContact CD1-CD2 4.41Å; D720-L724 WeakPolarHBondContact O-CB 3.22Å; D720-L724 PolarHBondContact O-N 2.99Å; I721-L724 WeakPolarHBondContact O-CB 3.5Å; I721-L724 PolarHBondContact O-N 2.92Å; W722-L724 VanDerWaalsContact C-N 3.34Å; W722-L724 PolarHBondContact O-N 3.27Å; L724-C726 VanDerWaalsContact C-N 3.3Å; L724-C726 PolarHBondContact O-N 3.07Å; L724-T727 CarbonylContact O-C 3.3Å; L724-T727 WeakPolarHBondContact O-CA 3.29Å; L724-T727 WeakPolarHBondContact O-CB 3.43Å; L724-T727 PolarHBondContact O-N 2.68Å; L724-I728 HydrophobicContact CD1-CD1 4.13Å; L724-I728 HydrophobicContact CD1-CG1 4.22Å; L724-I728 HydrophobicContact CG-CD1 4Å; L724-I728 WeakPolarHBondContact O-CG1 3.15Å; L724-I728 PolarHBondContact O-N 3.43Å; L724-L789 HydrophobicContact CD2-CD1 4.43Å
725	G	97.3	Very high	94.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-54.2	-46.8	175	0	0	0	0	0	112.1	I721 W722 T727 I728 I729	I721-G725 PolarHBondContact O-N 3.08Å; W722-G725 PolarHBondContact O-N 2.99Å; W722-G725 VanDerWaalsContact O-N 3.14Å; G725-T727 VanDerWaalsContact C-N 3.31Å; G725-T727 PolarHBondContact O-N 3.31Å; G725-I728 PolarHBondContact O-N 3.21Å; G725-I729 PolarHBondContact O-N 2.96Å; G725-I729 VanDerWaalsContact O-N 3.07Å
726	C	97.7	Very high	95.3	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-58.8	-38.7	172.5	-75.6	0	0	0	0	113	Y702 W722 S723 L724 I729 E730 P737	Y702-C726 HydrophobicContact CD1-CB 3.43Å; Y702-C726 VanDerWaalsContact CD1-CB 3.43Å; Y702-C726 HydrophobicContact CE1-CB 4.03Å; Y702-C726 HydrophobicContact CG-CB 4.19Å; W722-C726 PolarHBondContact O-N 3.33Å; S723-C726 WeakPolarHBondContact O-CB 3.44Å; S723-C726 PolarHBondContact O-N 2.97Å; L724-C726 VanDerWaalsContact C-N 3.3Å; L724-C726 PolarHBondContact O-N 3.07Å; C726-I729 PolarHBondContact O-N 3.22Å; C726-E730 PolarHBondContact O-N 3.46Å; C726-P737 HydrophobicContact CB-CB 4.22Å; C726-P737 HydrophobicContact CB-CG 4.03Å
727	T	97.6	Very high	95.6	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-71.6	-29.6	176.3	-54.1	0	0	0	0	112.5	L619 I644 S723 L724 G725 E730 M731	L619-T727 HydrophobicContact CD2-CG2 3.98Å; I644-T727 HydrophobicContact CD1-CG2 4.31Å; S723-T727 PolarHBondContact O-N 3.12Å; S723-T727 PolarHBondContact O-OG1 2.66Å; L724-T727 CarbonylContact O-C 3.3Å; L724-T727 WeakPolarHBondContact O-CA 3.29Å; L724-T727 WeakPolarHBondContact O-CB 3.43Å; L724-T727 PolarHBondContact O-N 2.68Å; G725-T727 VanDerWaalsContact C-N 3.31Å; G725-T727 PolarHBondContact O-N 3.31Å; T727-E730 WeakPolarHBondContact O-CB 3.38Å; T727-E730 PolarHBondContact O-N 3.29Å; T727-M731 PolarHBondContact O-N 3.35Å
728	I	97.4	Very high	95.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-69.7	-39.5	172.6	-63.4	161.7	0	0	0	110.7	I637 T641 L724 G725 E730 M731 A732 F771 I772	I637-I728 HydrophobicContact CG2-CG2 3.91Å; T641-I728 HydrophobicContact CG2-CD1 3.8Å; T641-I728 HydrophobicContact CG2-CG1 4.2Å; L724-I728 HydrophobicContact CD1-CD1 4.13Å; L724-I728 HydrophobicContact CD1-CG1 4.22Å; L724-I728 HydrophobicContact CG-CD1 4Å; L724-I728 WeakPolarHBondContact O-CG1 3.15Å; L724-I728 PolarHBondContact O-N 3.43Å; G725-I728 PolarHBondContact O-N 3.21Å; I728-E730 VanDerWaalsContact C-N 3.3Å; I728-M731 HydrophobicContact CB-CE 4.48Å; I728-M731 HydrophobicContact CG1-CE 4.07Å; I728-M731 PolarHBondContact O-N 3.04Å; I728-A732 WeakPolarHBondContact O-CB 3.45Å; I728-A732 PolarHBondContact O-N 3.21Å; I728-F771 HydrophobicContact CD1-CD1 4.3Å; I728-F771 HydrophobicContact CD1-CE1 3.75Å; I728-I772 HydrophobicContact CB-CG1 4.48Å; I728-I772 HydrophobicContact CG2-CD1 3.68Å; I728-I772 HydrophobicContact CG2-CG1 3.71Å
729	I	96.9	Very high	95.3	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.021	8%	0.077	C	C	.	.	H	α-helix	trans	-64.3	-37	171.1	-62.3	-66.7	0	0	0	111.1	G725 C726 A732 T733 P758 V760 I772 F776	G725-I729 PolarHBondContact O-N 2.96Å; G725-I729 VanDerWaalsContact O-N 3.07Å; C726-I729 PolarHBondContact O-N 3.22Å; I729-A732 PolarHBondContact O-N 2.85Å; I729-T733 HydrophobicContact CG2-CG2 3.96Å; I729-T733 WeakPolarHBondContact O-CB 3.38Å; I729-T733 WeakPolarHBondContact O-CG2 3.5Å; I729-T733 PolarHBondContact O-N 2.76Å; I729-T733 PolarHBondContact O-OG1 3.27Å; I729-P758 HydrophobicContact CB-CB 4.3Å; I729-P758 HydrophobicContact CG1-CB 4.16Å; I729-P758 HydrophobicContact CG2-CB 3.84Å; I729-V760 HydrophobicContact CD1-CB 4.3Å; I729-V760 HydrophobicContact CD1-CG1 4.28Å; I729-V760 HydrophobicContact CD1-CG2 4.2Å; I729-I772 HydrophobicContact CD1-CG2 4.12Å; I729-F776 HydrophobicContact CG1-CE2 4.03Å; I729-F776 HydrophobicContact CG1-CZ 4.07Å
730	E	97.2	Very high	95	Very high	3 Å²	3	20.5 Å²	20.5	1%	0.014	10%	0.104	C	C	.	.	H	α-helix	trans	-60.2	-45.8	173.2	-176.9	178.2	-147.8	0	0	111.7	S620 L623 G663 Y702 C726 T727 I728 G734 K735	S620-E730 VanDerWaalsContact CB-OE1 3.29Å; S620-E730 WeakPolarHBondContact CB-OE1 3.45Å; S620-E730 PolarHBondContact OG-OE1 3.49Å; S620-E730 PolarHBondContact OG-OE2 2.83Å; L623-E730 HydrophobicContact CD1-CG 3.93Å; G663-E730 WeakPolarHBondContact CA-OE2 3.11Å; G663-E730 PolarHBondContact N-OE2 2.9Å; Y702-E730 PolarHBondContact OH-OE1 3.48Å; Y702-E730 PolarHBondContact OH-OE2 3.03Å; C726-E730 PolarHBondContact O-N 3.46Å; T727-E730 WeakPolarHBondContact O-CB 3.38Å; T727-E730 PolarHBondContact O-N 3.29Å; I728-E730 VanDerWaalsContact C-N 3.3Å; E730-G734 VanDerWaalsContact O-CA 3.31Å; E730-G734 WeakPolarHBondContact O-CA 3.43Å; E730-G734 PolarHBondContact O-N 3.31Å; E730-K735 VanDerWaalsContact CA-O 3.28Å; E730-K735 WeakPolarHBondContact CA-O 3.27Å; E730-K735 PolarHBondContact O-N 3.5Å
731	M	97.1	Very high	94.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.4	-49.7	172.2	-71.7	-170.6	-77.9	0	0	112.1	L619 L623 L630 I637 T641 I644 T727 I728 T733	L619-M731 HydrophobicContact CD1-CG 4.01Å; L619-M731 HydrophobicContact CD1-SD 4.27Å; L619-M731 HydrophobicContact CD2-CG 3.82Å; L619-M731 HydrophobicContact CD2-SD 3.95Å; L619-M731 HydrophobicContact CG-CG 4.33Å; L623-M731 HydrophobicContact CD1-CG 4.26Å; L630-M731 VanDerWaalsContact CB-O 3.31Å; L630-M731 WeakPolarHBondContact CB-O 3.28Å; L630-M731 HydrophobicContact CD1-CB 4.39Å; L630-M731 PolarHBondContact N-O 3.49Å; I637-M731 HydrophobicContact CG1-CB 4.23Å; I637-M731 HydrophobicContact CG2-CE 4.32Å; T641-M731 WeakPolarHBondContact OG1-CE 3.48Å; I644-M731 HydrophobicContact CD1-CE 4.39Å; T727-M731 PolarHBondContact O-N 3.35Å; I728-M731 HydrophobicContact CB-CE 4.48Å; I728-M731 HydrophobicContact CG1-CE 4.07Å; I728-M731 PolarHBondContact O-N 3.04Å; M731-T733 PolarHBondContact O-N 3.47Å
732	A	95.6	Very high	93.8	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.1	-40.6	-176.1	0	0	0	0	0	112.6	P629 L630 K631 I637 I728 I729 P761 M764	P629-A732 WeakPolarHBondContact CB-O 3.34Å; L630-A732 PolarHBondContact N-O 3.11Å; K631-A732 HydrophobicContact CB-CB 4.13Å; K631-A732 WeakPolarHBondContact CB-O 3.36Å; K631-A732 VanDerWaalsContact CG-O 3.3Å; K631-A732 WeakPolarHBondContact CG-O 3.46Å; K631-A732 PolarHBondContact N-O 2.84Å; I637-A732 HydrophobicContact CD1-CB 4.12Å; I728-A732 WeakPolarHBondContact O-CB 3.45Å; I728-A732 PolarHBondContact O-N 3.21Å; I729-A732 PolarHBondContact O-N 2.85Å; A732-P761 HydrophobicContact CB-CG 4.12Å; A732-M764 HydrophobicContact CB-CE 4.23Å; A732-M764 HydrophobicContact CB-SD 3.77Å
733	T	93.9	Very high	93.3	Very high	45 Å²	45	28 Å²	28	28%	0.276	16%	0.164	S	C	.	.	H	α-helix	trans	-95.2	-14	-175.3	63.8	0	0	0	0	114.5	P629 I729 M731 K735 P761	P629-T733 WeakPolarHBondContact CG-O 3.36Å; I729-T733 HydrophobicContact CG2-CG2 3.96Å; I729-T733 WeakPolarHBondContact O-CB 3.38Å; I729-T733 WeakPolarHBondContact O-CG2 3.5Å; I729-T733 PolarHBondContact O-N 2.76Å; I729-T733 PolarHBondContact O-OG1 3.27Å; M731-T733 PolarHBondContact O-N 3.47Å; T733-K735 PolarHBondContact O-N 3.46Å; T733-K735 PolarHBondContact OG1-N 2.78Å; T733-K735 PolarHBondContact OG1-O 2.94Å; T733-K735 VanDerWaalsContact OG1-O 3.09Å; T733-P761 HydrophobicContact CG2-CG 4.05Å
734	G	93.5	Very high	92.7	Very high	10 Å²	10	30 Å²	30	10%	0.103	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	14.6	-173.5	0	0	0	0	0	113.8	E730	E730-G734 VanDerWaalsContact O-CA 3.31Å; E730-G734 WeakPolarHBondContact O-CA 3.43Å; E730-G734 PolarHBondContact O-N 3.31Å
735	K	92.7	Very high	92.2	Very high	101 Å²	101	35.3 Å²	35.3	44%	0.439	20%	0.202	S	C	.	.	S	Bend	trans	-144.4	154.4	-172.5	-67.2	-167.4	173.5	-170.4	0	111.4	E730 T733 H739	E730-K735 VanDerWaalsContact CA-O 3.28Å; E730-K735 WeakPolarHBondContact CA-O 3.27Å; E730-K735 PolarHBondContact O-N 3.5Å; T733-K735 PolarHBondContact O-N 3.46Å; T733-K735 PolarHBondContact OG1-N 2.78Å; T733-K735 PolarHBondContact OG1-O 2.94Å; T733-K735 VanDerWaalsContact OG1-O 3.09Å; K735-H739 HydrophobicContact CB-CB 4.38Å; K735-H739 VanDerWaalsContact CD-CD2 3.43Å; K735-H739 WeakPolarHBondContact CD-CD2 3.2Å; K735-H739 PolarHBondContact NZ-NE2 3.05Å
736	P	91.9	Very high	91.6	Very high	35 Å²	35	37 Å²	37	23%	0.227	22%	0.215	C	C	.	.			trans	-55	148.6	174.9	-25.6	34.9	0	0	0	112.9	H739	P736-H739 VanDerWaalsContact O-CB 3.24Å; P736-H739 WeakPolarHBondContact O-CB 3.35Å; P736-H739 PolarHBondContact O-N 3.23Å
737	P	92.9	Very high	91.1	Very high	1 Å²	1	37 Å²	37	1%	0.006	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	145.4	176.7	28.9	-37.9	0	0	0	110.6	Q701 Y702 C726 H739 P758	Q701-P737 HydrophobicContact CB-CG 4.26Å; Q701-P737 HydrophobicContact CG-CG 4.01Å; Q701-P737 VanDerWaalsContact O-CG 3.27Å; Q701-P737 WeakPolarHBondContact O-CG 3.47Å; Y702-P737 HydrophobicContact CD1-CG 4.02Å; Y702-P737 HydrophobicContact CD2-CG 4.24Å; Y702-P737 HydrophobicContact CE1-CG 3.75Å; Y702-P737 HydrophobicContact CE2-CG 4.04Å; Y702-P737 HydrophobicContact CG-CG 4.22Å; Y702-P737 VanDerWaalsContact OH-CD 3.27Å; Y702-P737 WeakPolarHBondContact OH-CD 3.44Å; C726-P737 HydrophobicContact CB-CB 4.22Å; C726-P737 HydrophobicContact CB-CG 4.03Å; P737-H739 PolarHBondContact O-N 3.48Å; P737-P758 HydrophobicContact CB-CB 4.16Å; P737-P758 HydrophobicContact CB-CG 3.56Å
738	F	92.3	Very high	90.6	Very high	8 Å²	8	39.6 Å²	39.6	4%	0.035	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	19.5	-177.3	-56.6	-71.5	0	0	0	115.8	E740 L741 A747 V751 I756 H757 P758	F738-E740 WeakPolarHBondContact CA-OE1 3.04Å; F738-E740 VanDerWaalsContact CA-OE2 3.29Å; F738-E740 WeakPolarHBondContact CA-OE2 3.48Å; F738-E740 PolarHBondContact O-N 3.38Å; F738-E740 VanDerWaalsContact O-N 3.12Å; F738-L741 HydrophobicContact CB-CD1 3.94Å; F738-L741 HydrophobicContact CB-CG 4.15Å; F738-L741 HydrophobicContact CD1-CD1 3.95Å; F738-L741 HydrophobicContact CG-CD1 4.24Å; F738-L741 WeakPolarHBondContact O-CB 3.35Å; F738-L741 PolarHBondContact O-N 2.86Å; F738-A747 HydrophobicContact CB-CB 3.54Å; F738-A747 HydrophobicContact CD2-CB 3.64Å; F738-A747 HydrophobicContact CE2-CB 4.44Å; F738-A747 HydrophobicContact CG-CB 3.73Å; F738-V751 HydrophobicContact CE2-CG2 3.53Å; F738-V751 HydrophobicContact CZ-CG2 3.52Å; F738-I756 HydrophobicContact CE1-CD1 4.05Å; F738-I756 HydrophobicContact CE1-CG1 4.24Å; F738-H757 VanDerWaalsContact CE1-C 3.49Å; F738-H757 WeakPolarHBondContact CE1-O 3.42Å; F738-H757 VanDerWaalsContact CZ-C 3.4Å; F738-P758 HydrophobicContact CD1-CB 4.5Å; F738-P758 HydrophobicContact CD1-CG 4.46Å; F738-P758 HydrophobicContact CD2-CG 3.92Å; F738-P758 HydrophobicContact CE1-CB 4.39Å; F738-P758 HydrophobicContact CE1-CG 4.18Å; F738-P758 HydrophobicContact CE2-CG 3.61Å; F738-P758 HydrophobicContact CG-CG 4.36Å; F738-P758 HydrophobicContact CZ-CB 4.45Å; F738-P758 VanDerWaalsContact CZ-CD 3.49Å; F738-P758 HydrophobicContact CZ-CG 3.77Å; F738-P758 VanDerWaalsContact CZ-N 3.33Å
739	H	88	Confident	89.9	Confident	97 Å²	97	45.1 Å²	45.1	45%	0.449	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-53	-31.9	177	169	85.2	0	0	0	113.3	K735 P736 P737 L741 G742	K735-H739 HydrophobicContact CB-CB 4.38Å; K735-H739 VanDerWaalsContact CD-CD2 3.43Å; K735-H739 WeakPolarHBondContact CD-CD2 3.2Å; K735-H739 PolarHBondContact NZ-NE2 3.05Å; P736-H739 VanDerWaalsContact O-CB 3.24Å; P736-H739 WeakPolarHBondContact O-CB 3.35Å; P736-H739 PolarHBondContact O-N 3.23Å; P737-H739 PolarHBondContact O-N 3.48Å; H739-L741 PolarHBondContact O-N 3.04Å; H739-L741 VanDerWaalsContact O-N 3.16Å; H739-G742 PolarHBondContact O-N 2.85Å
740	E	87.7	Confident	89.4	Confident	121 Å²	121	48.7 Å²	48.7	57%	0.565	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-64.2	-12.6	175.9	75	-67.1	160.8	0	0	114.4	F738	F738-E740 WeakPolarHBondContact CA-OE1 3.04Å; F738-E740 VanDerWaalsContact CA-OE2 3.29Å; F738-E740 WeakPolarHBondContact CA-OE2 3.48Å; F738-E740 PolarHBondContact O-N 3.38Å; F738-E740 VanDerWaalsContact O-N 3.12Å
741	L	86.1	Confident	89.1	Confident	42 Å²	42	48.6 Å²	48.6	22%	0.22	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-89.9	-8.4	174.1	-50.8	-172.6	0	0	0	113.4	F738 H739 S743 A746 A747 K750	F738-L741 HydrophobicContact CB-CD1 3.94Å; F738-L741 HydrophobicContact CB-CG 4.15Å; F738-L741 HydrophobicContact CD1-CD1 3.95Å; F738-L741 HydrophobicContact CG-CD1 4.24Å; F738-L741 WeakPolarHBondContact O-CB 3.35Å; F738-L741 PolarHBondContact O-N 2.86Å; H739-L741 PolarHBondContact O-N 3.04Å; H739-L741 VanDerWaalsContact O-N 3.16Å; L741-S743 PolarHBondContact O-N 3.14Å; L741-A746 HydrophobicContact CB-CB 4.27Å; L741-A747 HydrophobicContact CD1-CB 4.3Å; L741-K750 HydrophobicContact CD1-CD 3.84Å; L741-K750 HydrophobicContact CD2-CD 4.43Å
742	G	82.2	Confident	88.5	Confident	73 Å²	73	49.2 Å²	49.2	75%	0.753	27%	0.274	S	S	*	.	S	Bend	trans	68.3	-24.7	177.3	0	0	0	0	0	116.7	H739	H739-G742 PolarHBondContact O-N 2.85Å
743	S	85.4	Confident	87.7	Confident	43 Å²	43	54.9 Å²	54.9	30%	0.301	30%	0.302	S	S	.	.			trans	-127.2	126	-178.7	162.8	0	0	0	0	111.1	L741 Q745 A746 A747	L741-S743 PolarHBondContact O-N 3.14Å; S743-Q745 PolarHBondContact O-N 3.35Å; S743-Q745 PolarHBondContact OG-N 3Å; S743-Q745 PolarHBondContact OG-OE1 2.9Å; S743-A746 WeakPolarHBondContact O-CB 3.42Å; S743-A746 PolarHBondContact O-N 3.19Å; S743-A746 PolarHBondContact OG-N 2.9Å; S743-A747 PolarHBondContact O-N 3Å
744	P	85.7	Confident	87.4	Confident	48 Å²	48	59.3 Å²	59.3	31%	0.312	32%	0.317	S	S	.	.	H	α-helix	trans	-60.7	-26.4	173.9	-23.6	33.8	0	0	0	113.5	L700 Q701 A747 M748	L700-P744 HydrophobicContact CB-CB 4.09Å; L700-P744 HydrophobicContact CD1-CB 4.41Å; Q701-P744 HydrophobicContact CB-CB 4.49Å; P744-A747 WeakPolarHBondContact O-CB 3.2Å; P744-A747 PolarHBondContact O-N 3.24Å; P744-M748 PolarHBondContact O-N 3.33Å; P744-M748 VanDerWaalsContact O-N 3.08Å
745	Q	86	Confident	87.2	Confident	111 Å²	111	61.8 Å²	61.8	52%	0.519	33%	0.325	S	S	.	.	H	α-helix	trans	-70.2	-32.8	173.8	-60.2	79.6	7.6	0	0	111.9	L700 S743 F749	L700-Q745 HydrophobicContact CD1-CG 3.96Å; S743-Q745 PolarHBondContact O-N 3.35Å; S743-Q745 PolarHBondContact OG-N 3Å; S743-Q745 PolarHBondContact OG-OE1 2.9Å; Q745-F749 WeakPolarHBondContact O-CB 3.37Å; Q745-F749 PolarHBondContact O-N 3.03Å
746	A	86.1	Confident	87.1	Confident	34 Å²	34	60 Å²	60	28%	0.281	32%	0.32	S	S	.	.	H	α-helix	trans	-70.6	-33.2	173.8	0	0	0	0	0	112.1	L741 S743 K750	L741-A746 HydrophobicContact CB-CB 4.27Å; S743-A746 WeakPolarHBondContact O-CB 3.42Å; S743-A746 PolarHBondContact O-N 3.19Å; S743-A746 PolarHBondContact OG-N 2.9Å; A746-K750 WeakPolarHBondContact O-CG 3.31Å; A746-K750 PolarHBondContact O-N 3.44Å; A746-K750 VanDerWaalsContact O-N 3.12Å
747	A	86.9	Confident	87.1	Confident	1 Å²	1	61 Å²	61	1%	0.008	32%	0.321	C	S	.	.	H	α-helix	trans	-61.4	-58.2	169.8	0	0	0	0	0	111	Q701 F738 L741 S743 P744 F749 K750 V751	Q701-A747 HydrophobicContact CB-CB 4.23Å; F738-A747 HydrophobicContact CB-CB 3.54Å; F738-A747 HydrophobicContact CD2-CB 3.64Å; F738-A747 HydrophobicContact CE2-CB 4.44Å; F738-A747 HydrophobicContact CG-CB 3.73Å; L741-A747 HydrophobicContact CD1-CB 4.3Å; S743-A747 PolarHBondContact O-N 3Å; P744-A747 WeakPolarHBondContact O-CB 3.2Å; P744-A747 PolarHBondContact O-N 3.24Å; A747-F749 VanDerWaalsContact C-N 3.27Å; A747-F749 PolarHBondContact O-N 3.39Å; A747-K750 PolarHBondContact O-N 3.45Å; A747-V751 WeakPolarHBondContact O-CG2 3.39Å; A747-V751 PolarHBondContact O-N 3.39Å
748	M	86.8	Confident	87.1	Confident	54 Å²	54	61 Å²	61	27%	0.266	32%	0.321	S	S	.	.	H	α-helix	trans	-51.9	-43.9	176.9	-174.4	-160.9	76.1	0	0	112.3	L700 I708 P744 K750 V751 G752	L700-M748 HydrophobicContact CB-CB 4.37Å; L700-M748 HydrophobicContact CD2-SD 3.9Å; I708-M748 HydrophobicContact CD1-CG 3.82Å; I708-M748 HydrophobicContact CG1-CG 3.99Å; I708-M748 HydrophobicContact CG2-CG 4.17Å; P744-M748 PolarHBondContact O-N 3.33Å; P744-M748 VanDerWaalsContact O-N 3.08Å; M748-K750 PolarHBondContact O-N 3.47Å; M748-V751 PolarHBondContact O-N 2.88Å; M748-G752 PolarHBondContact O-N 3.42Å
749	F	83.4	Confident	87	Confident	117 Å²	117	65.5 Å²	65.5	51%	0.513	35%	0.35	S	S	.	.	H	α-helix	trans	-61.5	-43.4	177.3	179.6	-98	0	0	0	112.8	Q745 A747 M753	Q745-F749 WeakPolarHBondContact O-CB 3.37Å; Q745-F749 PolarHBondContact O-N 3.03Å; A747-F749 VanDerWaalsContact C-N 3.27Å; A747-F749 PolarHBondContact O-N 3.39Å; F749-M753 HydrophobicContact CD2-CG 4.2Å; F749-M753 HydrophobicContact CE1-CG 4.29Å; F749-M753 HydrophobicContact CE1-SD 4.18Å; F749-M753 HydrophobicContact CE2-CG 3.83Å; F749-M753 HydrophobicContact CE2-SD 3.59Å; F749-M753 VanDerWaalsContact CE2-SD 3.59Å; F749-M753 HydrophobicContact CZ-CG 3.88Å; F749-M753 HydrophobicContact CZ-SD 3.38Å; F749-M753 WeakPolarHBondContact CZ-SD 3.22Å; F749-M753 WeakPolarHBondContact O-CB 3.37Å; F749-M753 WeakPolarHBondContact O-CG 3.41Å; F749-M753 PolarHBondContact O-N 2.93Å
750	K	86.6	Confident	87.2	Confident	79 Å²	79	61.9 Å²	61.9	34%	0.343	33%	0.334	S	S	.	.	H	α-helix	trans	-71.5	-40.3	178.4	-72.2	-168.6	-175.2	-179.7	0	112.9	L741 A746 A747 M748 G752 F754 I756	L741-K750 HydrophobicContact CD1-CD 3.84Å; L741-K750 HydrophobicContact CD2-CD 4.43Å; A746-K750 WeakPolarHBondContact O-CG 3.31Å; A746-K750 PolarHBondContact O-N 3.44Å; A746-K750 VanDerWaalsContact O-N 3.12Å; A747-K750 PolarHBondContact O-N 3.45Å; M748-K750 PolarHBondContact O-N 3.47Å; K750-G752 VanDerWaalsContact C-N 3.35Å; K750-F754 HydrophobicContact CB-CD2 4.49Å; K750-F754 WeakPolarHBondContact O-CB 3.16Å; K750-F754 PolarHBondContact O-N 3.09Å; K750-I756 HydrophobicContact CB-CD1 3.69Å; K750-I756 HydrophobicContact CB-CG1 3.9Å; K750-I756 HydrophobicContact CD-CD1 3.68Å; K750-I756 HydrophobicContact CG-CD1 4.32Å
751	V	89.1	Confident	87.5	Confident	1 Å²	1	57 Å²	57	1%	0.006	31%	0.313	C	S	.	.	H	α-helix	trans	-61.4	-46.1	174.8	-180	0	0	0	0	109.7	P705 I708 W722 F738 A747 M748 K755	P705-V751 HydrophobicContact CB-CG1 4.07Å; I708-V751 HydrophobicContact CD1-CB 3.78Å; I708-V751 HydrophobicContact CD1-CG1 3.73Å; W722-V751 HydrophobicContact CH2-CG1 4.36Å; W722-V751 HydrophobicContact CZ2-CG1 3.72Å; W722-V751 HydrophobicContact CZ2-CG2 4.44Å; F738-V751 HydrophobicContact CE2-CG2 3.53Å; F738-V751 HydrophobicContact CZ-CG2 3.52Å; A747-V751 WeakPolarHBondContact O-CG2 3.39Å; A747-V751 PolarHBondContact O-N 3.39Å; M748-V751 PolarHBondContact O-N 2.88Å; V751-K755 VanDerWaalsContact O-CA 3.23Å; V751-K755 WeakPolarHBondContact O-CA 3.45Å; V751-K755 PolarHBondContact O-N 2.79Å
752	G	84.8	Confident	87.5	Confident	12 Å²	12	61.8 Å²	61.8	12%	0.124	34%	0.339	C	S	.	.	H	α-helix	trans	-59.6	-58.2	175.6	0	0	0	0	0	113	M748 K750 K755	M748-G752 PolarHBondContact O-N 3.42Å; K750-G752 VanDerWaalsContact C-N 3.35Å; G752-K755 PolarHBondContact O-NZ 3.26Å
753	M	80.6	Confident	87.9	Confident	119 Å²	119	62.4 Å²	62.4	59%	0.586	33%	0.328	S	S	*	.	H	α-helix	trans	-74.4	-30.6	-172.5	-69.5	-134	70.9	0	0	115.1	F749	F749-M753 HydrophobicContact CD2-CG 4.2Å; F749-M753 HydrophobicContact CE1-CG 4.29Å; F749-M753 HydrophobicContact CE1-SD 4.18Å; F749-M753 HydrophobicContact CE2-CG 3.83Å; F749-M753 HydrophobicContact CE2-SD 3.59Å; F749-M753 VanDerWaalsContact CE2-SD 3.59Å; F749-M753 HydrophobicContact CZ-CG 3.88Å; F749-M753 HydrophobicContact CZ-SD 3.38Å; F749-M753 WeakPolarHBondContact CZ-SD 3.22Å; F749-M753 WeakPolarHBondContact O-CB 3.37Å; F749-M753 WeakPolarHBondContact O-CG 3.41Å; F749-M753 PolarHBondContact O-N 2.93Å
754	F	87.3	Confident	88.2	Confident	138 Å²	138	60.7 Å²	60.7	61%	0.605	32%	0.316	S	S	*	.	H	α-helix	trans	-126.9	0.2	-169	-54.8	-68.2	0	0	0	114.4	K750 I756	K750-F754 HydrophobicContact CB-CD2 4.49Å; K750-F754 WeakPolarHBondContact O-CB 3.16Å; K750-F754 PolarHBondContact O-N 3.09Å; F754-I756 HydrophobicContact CB-CG2 3.96Å; F754-I756 PolarHBondContact O-N 3.33Å
755	K	88.9	Confident	88.6	Confident	62 Å²	62	60 Å²	60	27%	0.27	31%	0.312	S	S	.	.			trans	54.8	24.4	-179.5	-50.6	-56.3	175.3	-149.6	0	114.6	P705 D709 V751 G752 P778	P705-K755 HydrophobicContact CB-CD 3.54Å; P705-K755 HydrophobicContact CG-CD 4.41Å; D709-K755 IonicContact OD1-NZ 2.69Å; D709-K755 PolarHBondContact OD1-NZ 2.88Å; D709-K755 WeakPolarHBondContact OD2-CE 3.35Å; D709-K755 IonicContact OD2-NZ 2.69Å; D709-K755 PolarHBondContact OD2-NZ 2.85Å; V751-K755 VanDerWaalsContact O-CA 3.23Å; V751-K755 WeakPolarHBondContact O-CA 3.45Å; V751-K755 PolarHBondContact O-N 2.79Å; G752-K755 PolarHBondContact O-NZ 3.26Å; K755-P778 HydrophobicContact CB-CB 4.05Å; K755-P778 HydrophobicContact CB-CG 4.23Å; K755-P778 HydrophobicContact CG-CB 4.42Å
756	I	90.6	Very high	88.8	Confident	63 Å²	63	57.5 Å²	57.5	32%	0.323	31%	0.311	S	S	.	.			trans	-74.4	152.4	178.6	67.8	162.9	0	0	0	111.5	F738 K750 F754	F738-I756 HydrophobicContact CE1-CD1 4.05Å; F738-I756 HydrophobicContact CE1-CG1 4.24Å; K750-I756 HydrophobicContact CB-CD1 3.69Å; K750-I756 HydrophobicContact CB-CG1 3.9Å; K750-I756 HydrophobicContact CD-CD1 3.68Å; K750-I756 HydrophobicContact CG-CD1 4.32Å; F754-I756 HydrophobicContact CB-CG2 3.96Å; F754-I756 PolarHBondContact O-N 3.33Å
757	H	92.6	Very high	89.1	Confident	56 Å²	56	60.2 Å²	60.2	26%	0.259	32%	0.317	S	S	.	.			trans	-107	168.4	169.8	58.4	82.8	0	0	0	110.3	W722 F738 F776	W722-H757 HydrophobicContact CH2-CB 4.12Å; W722-H757 HydrophobicContact CZ2-CB 4.4Å; F738-H757 VanDerWaalsContact CE1-C 3.49Å; F738-H757 WeakPolarHBondContact CE1-O 3.42Å; F738-H757 VanDerWaalsContact CZ-C 3.4Å; H757-F776 HydrophobicContact CB-CB 3.75Å; H757-F776 HydrophobicContact CB-CD1 3.73Å; H757-F776 HydrophobicContact CB-CD2 3.53Å; H757-F776 HydrophobicContact CB-CE1 4.15Å; H757-F776 HydrophobicContact CB-CE2 3.95Å; H757-F776 HydrophobicContact CB-CG 3.41Å; H757-F776 VanDerWaalsContact CB-CG 3.41Å; H757-F776 HydrophobicContact CB-CZ 4.25Å; H757-F776 AromaticContact CG-CD2 3.71Å; H757-F776 AromaticContact CG-CG 3.92Å; H757-F776 AromaticContact ND1-CD2 3.89Å
758	P	92.6	Very high	89.3	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.006	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-60.3	149	171.2	-21.1	32.8	0	0	0	111.8	I729 P737 F738 V760 F776	I729-P758 HydrophobicContact CB-CB 4.3Å; I729-P758 HydrophobicContact CG1-CB 4.16Å; I729-P758 HydrophobicContact CG2-CB 3.84Å; P737-P758 HydrophobicContact CB-CB 4.16Å; P737-P758 HydrophobicContact CB-CG 3.56Å; F738-P758 HydrophobicContact CD1-CB 4.5Å; F738-P758 HydrophobicContact CD1-CG 4.46Å; F738-P758 HydrophobicContact CD2-CG 3.92Å; F738-P758 HydrophobicContact CE1-CB 4.39Å; F738-P758 HydrophobicContact CE1-CG 4.18Å; F738-P758 HydrophobicContact CE2-CG 3.61Å; F738-P758 HydrophobicContact CG-CG 4.36Å; F738-P758 HydrophobicContact CZ-CB 4.45Å; F738-P758 VanDerWaalsContact CZ-CD 3.49Å; F738-P758 HydrophobicContact CZ-CG 3.77Å; F738-P758 VanDerWaalsContact CZ-N 3.33Å; P758-V760 PolarHBondContact O-N 3.15Å; P758-F776 HydrophobicContact CG-CZ 4.22Å
759	T	90.5	Very high	89.6	Confident	104 Å²	104	60.1 Å²	60.1	64%	0.638	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-65.9	119	-179.1	-53.2	0	0	0	0	111.8
760	V	92.2	Very high	90.1	Very high	20 Å²	20	59.7 Å²	59.7	12%	0.121	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-72	128.7	173.9	-164.4	0	0	0	0	109.3	I729 P758 D762 K769 I772 M773	I729-V760 HydrophobicContact CD1-CB 4.3Å; I729-V760 HydrophobicContact CD1-CG1 4.28Å; I729-V760 HydrophobicContact CD1-CG2 4.2Å; P758-V760 PolarHBondContact O-N 3.15Å; V760-D762 PolarHBondContact O-N 2.86Å; V760-K769 HydrophobicContact CG1-CG 3.91Å; V760-I772 HydrophobicContact CG1-CB 4.5Å; V760-I772 HydrophobicContact CG1-CD1 3.89Å; V760-I772 HydrophobicContact CG1-CG2 4.25Å; V760-I772 HydrophobicContact CG2-CG2 3.77Å; V760-M773 HydrophobicContact CG2-SD 4.27Å
761	P	92.3	Very high	90.5	Very high	19 Å²	19	56 Å²	56	12%	0.123	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-63.1	127.1	-178.5	-25.4	35.1	0	0	0	113.5	K631 A732 T733 T763 M764 K769	K631-P761 HydrophobicContact CB-CB 4.33Å; K631-P761 HydrophobicContact CB-CG 4.41Å; K631-P761 HydrophobicContact CD-CB 4.29Å; A732-P761 HydrophobicContact CB-CG 4.12Å; T733-P761 HydrophobicContact CG2-CG 4.05Å; P761-T763 PolarHBondContact O-N 3.2Å; P761-T763 VanDerWaalsContact O-N 3.07Å; P761-M764 HydrophobicContact CB-CG 4.21Å; P761-M764 HydrophobicContact CB-SD 4.28Å; P761-M764 HydrophobicContact CG-SD 4.15Å; P761-M764 PolarHBondContact O-N 2.76Å; P761-M764 VanDerWaalsContact O-N 3.13Å; P761-K769 WeakPolarHBondContact O-CE 3.23Å
762	D	87.8	Confident	90.9	Very high	142 Å²	142	55.9 Å²	55.9	76%	0.759	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.9	-178.8	-79.4	-52.3	0	0	0	114.5	V760 M764 K769	V760-D762 PolarHBondContact O-N 2.86Å; D762-M764 VanDerWaalsContact C-N 3.28Å; D762-M764 PolarHBondContact O-N 2.82Å; D762-K769 PolarHBondContact O-NZ 2.95Å
763	T	89.9	Confident	91.4	Very high	87 Å²	87	59 Å²	59	53%	0.534	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-10.4	178.7	62	0	0	0	0	114.3	D632 P761	D632-T763 PolarHBondContact OD1-OG1 3.42Å; D632-T763 VanDerWaalsContact OD1-OG1 3.13Å; P761-T763 PolarHBondContact O-N 3.2Å; P761-T763 VanDerWaalsContact O-N 3.07Å
764	M	92	Very high	92.1	Very high	7 Å²	7	55.5 Å²	55.5	3%	0.034	30%	0.301	C	S	.	.	S	Bend	trans	-78.1	157.3	178.5	-60.4	-177.5	79.1	0	0	112.7	K631 E634 I637 A732 P761 D762 A768 K769 I772	K631-M764 HydrophobicContact CB-CG 4.13Å; K631-M764 HydrophobicContact CB-SD 4.32Å; E634-M764 HydrophobicContact CG-CE 4.1Å; E634-M764 VanDerWaalsContact OE1-CA 3.28Å; E634-M764 WeakPolarHBondContact OE1-CA 3.49Å; E634-M764 WeakPolarHBondContact OE1-CB 3.46Å; I637-M764 HydrophobicContact CD1-CE 3.76Å; A732-M764 HydrophobicContact CB-CE 4.23Å; A732-M764 HydrophobicContact CB-SD 3.77Å; P761-M764 HydrophobicContact CB-CG 4.21Å; P761-M764 HydrophobicContact CB-SD 4.28Å; P761-M764 HydrophobicContact CG-SD 4.15Å; P761-M764 PolarHBondContact O-N 2.76Å; P761-M764 VanDerWaalsContact O-N 3.13Å; D762-M764 VanDerWaalsContact C-N 3.28Å; D762-M764 PolarHBondContact O-N 2.82Å; M764-A768 HydrophobicContact CB-CB 4.23Å; M764-A768 HydrophobicContact CE-CB 4Å; M764-K769 WeakPolarHBondContact O-CE 3.29Å; M764-K769 PolarHBondContact O-NZ 3Å; M764-I772 HydrophobicContact CE-CD1 4.22Å; M764-I772 HydrophobicContact SD-CD1 4.34Å
765	S	93.2	Very high	92.5	Very high	32 Å²	32	48.9 Å²	48.9	22%	0.224	27%	0.272	C	S	.	.			trans	-59.7	161.9	177.1	66	0	0	0	0	112.9	E634 E767 A768 K769	E634-S765 VanDerWaalsContact CD-OG 3.31Å; E634-S765 PolarHBondContact OE1-N 3.28Å; E634-S765 PolarHBondContact OE1-OG 3.29Å; E634-S765 WeakPolarHBondContact OE2-CB 3.49Å; E634-S765 PolarHBondContact OE2-OG 2.91Å; S765-E767 VanDerWaalsContact C-N 3.33Å; S765-A768 WeakPolarHBondContact OG-CB 3.4Å; S765-A768 PolarHBondContact OG-N 2.72Å; S765-K769 WeakPolarHBondContact O-CD 3.16Å; S765-K769 WeakPolarHBondContact O-CG 3.22Å; S765-K769 PolarHBondContact O-N 3.11Å; S765-K769 VanDerWaalsContact O-N 3.13Å
766	A	90.5	Very high	92.9	Very high	60 Å²	60	46.1 Å²	46.1	50%	0.496	26%	0.26	S	S	.	.	H	α-helix	trans	-66.1	-43.4	175.9	0	0	0	0	0	109.7	A768 K769 D770	A766-A768 VanDerWaalsContact C-N 3.33Å; A766-A768 PolarHBondContact O-N 3.17Å; A766-K769 PolarHBondContact O-N 3.47Å; A766-D770 PolarHBondContact O-N 3.45Å
767	E	91.5	Very high	93.2	Very high	90 Å²	90	45.1 Å²	45.1	42%	0.421	26%	0.256	S	S	.	.	H	α-helix	trans	-57.2	-42.8	176.7	-56.9	94.1	138	0	0	111.9	S765 F771 F794	S765-E767 VanDerWaalsContact C-N 3.33Å; E767-F771 VanDerWaalsContact O-CB 3.31Å; E767-F771 WeakPolarHBondContact O-CB 3.36Å; E767-F771 PolarHBondContact O-N 3.07Å; E767-F771 VanDerWaalsContact O-N 3.16Å; E767-F794 HydrophobicContact CB-CD2 4.34Å
768	A	91.8	Very high	93.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66.4	-39.9	174	0	0	0	0	0	112.9	M764 S765 A766 I772 F794	M764-A768 HydrophobicContact CB-CB 4.23Å; M764-A768 HydrophobicContact CE-CB 4Å; S765-A768 WeakPolarHBondContact OG-CB 3.4Å; S765-A768 PolarHBondContact OG-N 2.72Å; A766-A768 VanDerWaalsContact C-N 3.33Å; A766-A768 PolarHBondContact O-N 3.17Å; A768-I772 WeakPolarHBondContact O-CB 3.43Å; A768-I772 WeakPolarHBondContact O-CD1 3.37Å; A768-I772 WeakPolarHBondContact O-CG1 3.39Å; A768-I772 PolarHBondContact O-N 3.49Å; A768-F794 HydrophobicContact CB-CD2 4.03Å; A768-F794 HydrophobicContact CB-CE2 3.45Å; A768-F794 VanDerWaalsContact CB-CE2 3.45Å; A768-F794 HydrophobicContact CB-CZ 3.76Å
769	K	93.8	Very high	93	Very high	54 Å²	54	49.3 Å²	49.3	24%	0.235	29%	0.285	C	S	.	.	H	α-helix	trans	-66.7	-47.4	179.6	-74.8	165.5	179.5	159.2	0	111.3	V760 P761 D762 M764 S765 A766 F771 I772 M773	V760-K769 HydrophobicContact CG1-CG 3.91Å; P761-K769 WeakPolarHBondContact O-CE 3.23Å; D762-K769 PolarHBondContact O-NZ 2.95Å; M764-K769 WeakPolarHBondContact O-CE 3.29Å; M764-K769 PolarHBondContact O-NZ 3Å; S765-K769 WeakPolarHBondContact O-CD 3.16Å; S765-K769 WeakPolarHBondContact O-CG 3.22Å; S765-K769 PolarHBondContact O-N 3.11Å; S765-K769 VanDerWaalsContact O-N 3.13Å; A766-K769 PolarHBondContact O-N 3.47Å; K769-F771 VanDerWaalsContact C-N 3.32Å; K769-F771 PolarHBondContact O-N 2.72Å; K769-I772 PolarHBondContact O-N 2.76Å; K769-M773 WeakPolarHBondContact O-CB 3.22Å; K769-M773 VanDerWaalsContact O-CG 3.29Å; K769-M773 WeakPolarHBondContact O-CG 3.29Å; K769-M773 PolarHBondContact O-N 2.65Å
770	D	93.3	Very high	93.1	Very high	108 Å²	108	45.8 Å²	45.8	58%	0.578	26%	0.263	S	S	*	.	H	α-helix	trans	-63	-39.3	179.5	-65.8	-20.5	0	0	0	111.4	A766 M773 S774	A766-D770 PolarHBondContact O-N 3.45Å; D770-M773 PolarHBondContact O-N 2.86Å; D770-S774 PolarHBondContact O-N 2.88Å; D770-S774 PolarHBondContact O-OG 2.81Å
771	F	96.1	Very high	93	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.3	-45.9	172.9	-177	-86.5	0	0	0	112.9	T641 L645 I728 E767 K769 S774 C775 L789 D792 F794 L795	T641-F771 HydrophobicContact CG2-CE1 3.68Å; T641-F771 HydrophobicContact CG2-CZ 3.83Å; L645-F771 HydrophobicContact CD1-CZ 3.9Å; I728-F771 HydrophobicContact CD1-CD1 4.3Å; I728-F771 HydrophobicContact CD1-CE1 3.75Å; E767-F771 VanDerWaalsContact O-CB 3.31Å; E767-F771 WeakPolarHBondContact O-CB 3.36Å; E767-F771 PolarHBondContact O-N 3.07Å; E767-F771 VanDerWaalsContact O-N 3.16Å; K769-F771 VanDerWaalsContact C-N 3.32Å; K769-F771 PolarHBondContact O-N 2.72Å; F771-S774 WeakPolarHBondContact O-CB 3.45Å; F771-S774 PolarHBondContact O-N 2.94Å; F771-C775 PolarHBondContact O-N 3.47Å; F771-C775 PolarHBondContact O-SG 3.19Å; F771-C775 VanDerWaalsContact O-SG 3.41Å; F771-L789 HydrophobicContact CD2-CD2 4.18Å; F771-L789 HydrophobicContact CE2-CB 4.02Å; F771-L789 HydrophobicContact CE2-CD2 3.85Å; F771-L789 HydrophobicContact CZ-CB 4.13Å; F771-L789 HydrophobicContact CZ-CD2 4.14Å; F771-D792 HydrophobicContact CD2-CB 3.79Å; F771-D792 WeakPolarHBondContact CD2-OD1 3.41Å; F771-D792 HydrophobicContact CE2-CB 4.02Å; F771-F794 HydrophobicContact CB-CB 3.98Å; F771-F794 HydrophobicContact CB-CD1 3.84Å; F771-F794 HydrophobicContact CB-CG 4.09Å; F771-F794 AromaticContact CD1-CD1 3.73Å; F771-F794 HydrophobicContact CD1-CD1 3.73Å; F771-F794 HydrophobicContact CD1-CE1 4.1Å; F771-F794 HydrophobicContact CD2-CB 3.99Å; F771-F794 AromaticContact CD2-CD1 3.88Å; F771-F794 HydrophobicContact CD2-CD1 3.88Å; F771-F794 HydrophobicContact CD2-CG 4.41Å; F771-F794 HydrophobicContact CE1-CD1 4.26Å; F771-F794 HydrophobicContact CE2-CD1 4.37Å; F771-F794 HydrophobicContact CG-CB 4.13Å; F771-F794 AromaticContact CG-CD1 3.52Å; F771-F794 HydrophobicContact CG-CD1 3.52Å; F771-F794 HydrophobicContact CG-CE1 4.32Å; F771-F794 HydrophobicContact CG-CG 4.18Å; F771-L795 HydrophobicContact CE2-CD1 3.83Å; F771-L795 HydrophobicContact CE2-CD2 4.32Å; F771-L795 HydrophobicContact CE2-CG 3.74Å; F771-L795 HydrophobicContact CZ-CD1 3.84Å; F771-L795 HydrophobicContact CZ-CD2 4.22Å; F771-L795 HydrophobicContact CZ-CG 4.02Å
772	I	95.9	Very high	93.1	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-66.1	-41	177.9	-70.7	166	0	0	0	110.7	I728 I729 V760 M764 A768 K769 S774 C775 F776	I728-I772 HydrophobicContact CB-CG1 4.48Å; I728-I772 HydrophobicContact CG2-CD1 3.68Å; I728-I772 HydrophobicContact CG2-CG1 3.71Å; I729-I772 HydrophobicContact CD1-CG2 4.12Å; V760-I772 HydrophobicContact CG1-CB 4.5Å; V760-I772 HydrophobicContact CG1-CD1 3.89Å; V760-I772 HydrophobicContact CG1-CG2 4.25Å; V760-I772 HydrophobicContact CG2-CG2 3.77Å; M764-I772 HydrophobicContact CE-CD1 4.22Å; M764-I772 HydrophobicContact SD-CD1 4.34Å; A768-I772 WeakPolarHBondContact O-CB 3.43Å; A768-I772 WeakPolarHBondContact O-CD1 3.37Å; A768-I772 WeakPolarHBondContact O-CG1 3.39Å; A768-I772 PolarHBondContact O-N 3.49Å; K769-I772 PolarHBondContact O-N 2.76Å; I772-S774 VanDerWaalsContact C-N 3.3Å; I772-S774 PolarHBondContact O-N 2.89Å; I772-C775 WeakPolarHBondContact O-CB 3.29Å; I772-C775 PolarHBondContact O-N 3.19Å; I772-F776 HydrophobicContact CG2-CD2 3.73Å; I772-F776 HydrophobicContact CG2-CE2 3.45Å; I772-F776 VanDerWaalsContact CG2-CE2 3.45Å; I772-F776 WeakPolarHBondContact O-CD2 3.48Å; I772-F776 PolarHBondContact O-N 3.32Å
773	M	95.2	Very high	93.5	Very high	78 Å²	78	51 Å²	51	38%	0.384	29%	0.289	S	S	.	.	H	α-helix	trans	-64.6	-33.6	176.6	-71.2	-53	-54.3	0	0	112.5	V760 K769 D770 C775 F776 V777	V760-M773 HydrophobicContact CG2-SD 4.27Å; K769-M773 WeakPolarHBondContact O-CB 3.22Å; K769-M773 VanDerWaalsContact O-CG 3.29Å; K769-M773 WeakPolarHBondContact O-CG 3.29Å; K769-M773 PolarHBondContact O-N 2.65Å; D770-M773 PolarHBondContact O-N 2.86Å; M773-C775 PolarHBondContact O-N 2.9Å; M773-F776 CarbonylContact O-C 3.5Å; M773-F776 PolarHBondContact O-N 3.36Å; M773-V777 PolarHBondContact O-N 2.69Å
774	S	95.8	Very high	93.7	Very high	44 Å²	44	48 Å²	48	31%	0.308	27%	0.273	S	S	.	.	H	α-helix	trans	-62.7	-24.7	173	-58	0	0	0	0	113.1	D770 F771 I772	D770-S774 PolarHBondContact O-N 2.88Å; D770-S774 PolarHBondContact O-OG 2.81Å; F771-S774 WeakPolarHBondContact O-CB 3.45Å; F771-S774 PolarHBondContact O-N 2.94Å; I772-S774 VanDerWaalsContact C-N 3.3Å; I772-S774 PolarHBondContact O-N 2.89Å
775	C	97.1	Very high	93.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-81.5	-18	172.4	-56.2	0	0	0	0	113.2	I721 W722 F771 I772 M773	I721-C775 HydrophobicContact CG2-CB 4.1Å; W722-C775 WeakPolarHBondContact CA-O 3.39Å; F771-C775 PolarHBondContact O-N 3.47Å; F771-C775 PolarHBondContact O-SG 3.19Å; F771-C775 VanDerWaalsContact O-SG 3.41Å; I772-C775 WeakPolarHBondContact O-CB 3.29Å; I772-C775 PolarHBondContact O-N 3.19Å; M773-C775 PolarHBondContact O-N 2.9Å
776	F	97	Very high	94	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.018	28%	0.281	C	S	.	.			trans	-110.4	19.9	-174	-67.1	-43.5	0	0	0	114	W722 I729 H757 P758 I772 M773 P778	W722-F776 AromaticContact CD2-CD1 3.87Å; W722-F776 HydrophobicContact CD2-CD1 3.87Å; W722-F776 HydrophobicContact CD2-CE1 4.38Å; W722-F776 HydrophobicContact CE3-CB 4.45Å; W722-F776 AromaticContact CE3-CD1 3.86Å; W722-F776 HydrophobicContact CE3-CD1 3.86Å; W722-F776 HydrophobicContact CG-CD1 4.45Å; W722-F776 HydrophobicContact CH2-CD1 4.24Å; W722-F776 HydrophobicContact CZ2-CD1 4.27Å; W722-F776 HydrophobicContact CZ3-CB 4.13Å; W722-F776 HydrophobicContact CZ3-CD1 4.05Å; I729-F776 HydrophobicContact CG1-CE2 4.03Å; I729-F776 HydrophobicContact CG1-CZ 4.07Å; H757-F776 HydrophobicContact CB-CB 3.75Å; H757-F776 HydrophobicContact CB-CD1 3.73Å; H757-F776 HydrophobicContact CB-CD2 3.53Å; H757-F776 HydrophobicContact CB-CE1 4.15Å; H757-F776 HydrophobicContact CB-CE2 3.95Å; H757-F776 HydrophobicContact CB-CG 3.41Å; H757-F776 VanDerWaalsContact CB-CG 3.41Å; H757-F776 HydrophobicContact CB-CZ 4.25Å; H757-F776 AromaticContact CG-CD2 3.71Å; H757-F776 AromaticContact CG-CG 3.92Å; H757-F776 AromaticContact ND1-CD2 3.89Å; P758-F776 HydrophobicContact CG-CZ 4.22Å; I772-F776 HydrophobicContact CG2-CD2 3.73Å; I772-F776 HydrophobicContact CG2-CE2 3.45Å; I772-F776 VanDerWaalsContact CG2-CE2 3.45Å; I772-F776 WeakPolarHBondContact O-CD2 3.48Å; I772-F776 PolarHBondContact O-N 3.32Å; M773-F776 CarbonylContact O-C 3.5Å; M773-F776 PolarHBondContact O-N 3.36Å; F776-P778 WeakPolarHBondContact O-CD 3.48Å
777	V	96.1	Very high	94.2	Very high	41 Å²	41	49.3 Å²	49.3	25%	0.248	27%	0.274	C	S	.	.			trans	-57.9	122.2	168.1	-178.4	0	0	0	0	108.9	M773 D779 D782 R783	M773-V777 PolarHBondContact O-N 2.69Å; V777-D779 PolarHBondContact O-N 3.19Å; V777-D782 HydrophobicContact CG1-CB 3.87Å; V777-R783 HydrophobicContact CB-CB 4.08Å; V777-R783 HydrophobicContact CB-CG 4.13Å; V777-R783 PolarHBondContact O-NE 3.46Å; V777-R783 PolarHBondContact O-NH2 2.99Å; V777-R783 VanDerWaalsContact O-NH2 3.14Å
778	P	91.2	Very high	94.3	Very high	65 Å²	65	50.5 Å²	50.5	42%	0.422	28%	0.28	S	S	.	.	S	Bend	trans	-64	-40	-174.5	-28.9	38	0	0	0	114.1	K755 F776 R783	K755-P778 HydrophobicContact CB-CB 4.05Å; K755-P778 HydrophobicContact CB-CG 4.23Å; K755-P778 HydrophobicContact CG-CB 4.42Å; F776-P778 WeakPolarHBondContact O-CD 3.48Å; P778-R783 PolarHBondContact O-NH2 3.33Å; P778-R783 VanDerWaalsContact O-NH2 3.11Å
779	D	90.7	Very high	94.5	Very high	81 Å²	81	50.8 Å²	50.8	43%	0.433	28%	0.281	S	S	.	.	S	Bend	trans	-73.6	128.5	175.4	-161.6	-59.5	0	0	0	109.7	V777 D781 D782 R783	V777-D779 PolarHBondContact O-N 3.19Å; D779-D781 VanDerWaalsContact C-N 3.34Å; D779-D781 PolarHBondContact OD1-N 2.89Å; D779-D782 HydrophobicContact CB-CB 4.37Å; D779-R783 WeakPolarHBondContact O-CB 3.38Å; D779-R783 PolarHBondContact O-N 3.27Å
780	P	92.1	Very high	94.5	Very high	30 Å²	30	50 Å²	50	20%	0.195	28%	0.28	C	S	.	.	S	Bend	trans	-69.8	-26.8	179.3	29	-35.8	0	0	0	113.6	E706 P718 R783	E706-P780 HydrophobicContact CB-CG 4.19Å; E706-P780 HydrophobicContact CG-CB 4.16Å; E706-P780 HydrophobicContact CG-CG 4.25Å; P718-P780 HydrophobicContact CB-CB 3.82Å; P718-P780 WeakPolarHBondContact CB-O 3.28Å; P718-P780 HydrophobicContact CG-CB 4.06Å; P718-P780 WeakPolarHBondContact CG-O 3.47Å; P780-R783 PolarHBondContact O-N 3.47Å
781	D	90.2	Very high	94.4	Very high	151 Å²	151	49.4 Å²	49.4	81%	0.807	28%	0.276	S	S	*	.	S	Bend	trans	-81	-28	-175.9	-71.2	-24.8	0	0	0	112.1	D779	D779-D781 VanDerWaalsContact C-N 3.34Å; D779-D781 PolarHBondContact OD1-N 2.89Å
782	D	93.1	Very high	94.2	Very high	132 Å²	132	51.5 Å²	51.5	71%	0.706	29%	0.288	S	S	*	.	S	Bend	trans	-85.3	-4.8	171.4	-76.3	-29.7	0	0	0	113.4	V777 D779	V777-D782 HydrophobicContact CG1-CB 3.87Å; D779-D782 HydrophobicContact CB-CB 4.37Å
783	R	96.3	Very high	93.8	Very high	8 Å²	8	55 Å²	55	3%	0.03	31%	0.311	C	S	.	.	S	Bend	trans	-81.2	127.7	-173.2	-166.8	-178.6	-57.1	147.2	8.2	111.9	E706 P718 I721 V777 P778 D779 P780 T785	E706-R783 IonicContact OE1-CZ 3.66Å; E706-R783 IonicContact OE1-NH1 3.55Å; E706-R783 PolarHBondContact OE1-NH1 3.32Å; E706-R783 IonicContact OE1-NH2 3.55Å; E706-R783 IonicContact OE2-CZ 2.72Å; E706-R783 IonicContact OE2-NH1 2.7Å; E706-R783 PolarHBondContact OE2-NH1 2.84Å; E706-R783 IonicContact OE2-NH2 2.85Å; E706-R783 PolarHBondContact OE2-NH2 3.01Å; P718-R783 VanDerWaalsContact C-NH1 3.3Å; P718-R783 HydrophobicContact CB-CB 4.3Å; P718-R783 WeakPolarHBondContact O-CD 3.27Å; P718-R783 PolarHBondContact O-NH1 2.88Å; I721-R783 HydrophobicContact CG2-CG 4.46Å; V777-R783 HydrophobicContact CB-CB 4.08Å; V777-R783 HydrophobicContact CB-CG 4.13Å; V777-R783 PolarHBondContact O-NE 3.46Å; V777-R783 PolarHBondContact O-NH2 2.99Å; V777-R783 VanDerWaalsContact O-NH2 3.14Å; P778-R783 PolarHBondContact O-NH2 3.33Å; P778-R783 VanDerWaalsContact O-NH2 3.11Å; D779-R783 WeakPolarHBondContact O-CB 3.38Å; D779-R783 PolarHBondContact O-N 3.27Å; P780-R783 PolarHBondContact O-N 3.47Å; R783-T785 PolarHBondContact O-N 3.48Å
784	A	95.4	Very high	93.5	Very high	23 Å²	23	51.5 Å²	51.5	19%	0.19	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-54	131.3	-175	0	0	0	0	0	113.3	I721 L789	I721-A784 WeakPolarHBondContact CG2-O 3.49Å; A784-L789 HydrophobicContact CB-CD2 3.95Å; A784-L789 HydrophobicContact CB-CG 4Å
785	T	95.9	Very high	93.1	Very high	67 Å²	67	50.3 Å²	50.3	41%	0.411	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-77.4	163.5	-180	69.3	0	0	0	0	112.3	R783 T787 E788 L789	R783-T785 PolarHBondContact O-N 3.48Å; T785-T787 PolarHBondContact O-N 2.83Å; T785-T787 VanDerWaalsContact O-N 3.11Å; T785-T787 PolarHBondContact OG1-N 2.96Å; T785-E788 VanDerWaalsContact CB-OE2 3.23Å; T785-E788 WeakPolarHBondContact CB-OE2 3.42Å; T785-E788 VanDerWaalsContact CG2-OE2 3.3Å; T785-E788 WeakPolarHBondContact CG2-OE2 3.43Å; T785-E788 PolarHBondContact N-OE2 2.81Å; T785-E788 PolarHBondContact O-N 3.29Å; T785-E788 PolarHBondContact OG1-N 2.87Å; T785-E788 PolarHBondContact OG1-OE2 3.07Å; T785-L789 PolarHBondContact O-N 3.31Å
786	A	95.6	Very high	92.1	Very high	3 Å²	3	56.1 Å²	56.1	3%	0.025	31%	0.309	C	S	.	.	H	α-helix	trans	-56.5	-29.3	174.4	0	0	0	0	0	113.4	L645 K649 I721 L790	L645-A786 HydrophobicContact CD2-CB 3.83Å; K649-A786 HydrophobicContact CB-CB 4.18Å; I721-A786 HydrophobicContact CD1-CB 4.04Å; A786-L790 WeakPolarHBondContact O-CB 3.28Å; A786-L790 WeakPolarHBondContact O-CD1 3.39Å; A786-L790 WeakPolarHBondContact O-CG 3.32Å; A786-L790 PolarHBondContact O-N 2.7Å; A786-L790 VanDerWaalsContact O-N 3.13Å
787	T	94.2	Very high	90.3	Very high	57 Å²	57	59.9 Å²	59.9	35%	0.35	34%	0.336	S	S	.	.	H	α-helix	trans	-76.5	-31.2	179.2	-55.3	0	0	0	0	112.1	K649 T785 N791	K649-T787 PolarHBondContact NZ-OG1 3.46Å; T785-T787 PolarHBondContact O-N 2.83Å; T785-T787 VanDerWaalsContact O-N 3.11Å; T785-T787 PolarHBondContact OG1-N 2.96Å; T787-N791 PolarHBondContact O-ND2 2.89Å
788	E	94.1	Very high	88	Confident	115 Å²	115	63 Å²	63	54%	0.537	36%	0.357	S	S	.	.	H	α-helix	trans	-78.3	-43.5	176	-70.9	153	141.6	0	0	111.1	T785 L790 N791 D792	T785-E788 VanDerWaalsContact CB-OE2 3.23Å; T785-E788 WeakPolarHBondContact CB-OE2 3.42Å; T785-E788 VanDerWaalsContact CG2-OE2 3.3Å; T785-E788 WeakPolarHBondContact CG2-OE2 3.43Å; T785-E788 PolarHBondContact N-OE2 2.81Å; T785-E788 PolarHBondContact O-N 3.29Å; T785-E788 PolarHBondContact OG1-N 2.87Å; T785-E788 PolarHBondContact OG1-OE2 3.07Å; E788-L790 PolarHBondContact O-N 3.04Å; E788-N791 CarbonylContact O-C 3.43Å; E788-N791 VanDerWaalsContact O-CA 3.27Å; E788-N791 WeakPolarHBondContact O-CA 3.4Å; E788-N791 WeakPolarHBondContact O-CB 3.34Å; E788-N791 PolarHBondContact O-N 3.35Å; E788-D792 PolarHBondContact O-N 2.71Å
789	L	95.6	Very high	85.6	Confident	5 Å²	5	65.5 Å²	65.5	3%	0.026	38%	0.376	C	S	.	.	H	α-helix	trans	-62.2	-39.2	175.6	-67.5	172.5	0	0	0	112.2	L645 I721 L724 F771 A784 T785 N791 D792 L795	L645-L789 HydrophobicContact CD1-CB 3.8Å; L645-L789 HydrophobicContact CD2-CB 3.99Å; L645-L789 HydrophobicContact CD2-CD1 4.15Å; I721-L789 HydrophobicContact CD1-CD1 4.42Å; I721-L789 HydrophobicContact CG2-CD1 3.56Å; L724-L789 HydrophobicContact CD2-CD1 4.43Å; F771-L789 HydrophobicContact CD2-CD2 4.18Å; F771-L789 HydrophobicContact CE2-CB 4.02Å; F771-L789 HydrophobicContact CE2-CD2 3.85Å; F771-L789 HydrophobicContact CZ-CB 4.13Å; F771-L789 HydrophobicContact CZ-CD2 4.14Å; A784-L789 HydrophobicContact CB-CD2 3.95Å; A784-L789 HydrophobicContact CB-CG 4Å; T785-L789 PolarHBondContact O-N 3.31Å; L789-N791 PolarHBondContact O-N 2.94Å; L789-N791 VanDerWaalsContact O-N 3.12Å; L789-D792 PolarHBondContact O-N 3.47Å; L789-D792 VanDerWaalsContact O-N 3.11Å; L789-L795 WeakPolarHBondContact O-CD1 3.48Å
790	L	93.8	Very high	83.1	Confident	39 Å²	39	73 Å²	73	20%	0.204	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.4	170	-77.3	170.3	0	0	0	113.7	K642 L645 E646 K649 A786 E788	K642-L790 HydrophobicContact CG-CD2 4.13Å; L645-L790 HydrophobicContact CB-CD1 4.38Å; L645-L790 HydrophobicContact CB-CD2 3.61Å; L645-L790 HydrophobicContact CB-CG 3.8Å; L645-L790 HydrophobicContact CD1-CD2 4.47Å; E646-L790 HydrophobicContact CG-CD2 4.08Å; K649-L790 HydrophobicContact CB-CD1 4.05Å; K649-L790 HydrophobicContact CD-CD1 3.84Å; A786-L790 WeakPolarHBondContact O-CB 3.28Å; A786-L790 WeakPolarHBondContact O-CD1 3.39Å; A786-L790 WeakPolarHBondContact O-CG 3.32Å; A786-L790 PolarHBondContact O-N 2.7Å; A786-L790 VanDerWaalsContact O-N 3.13Å; E788-L790 PolarHBondContact O-N 3.04Å
791	N	91	Very high	80.4	Confident	94 Å²	94	81 Å²	81	50%	0.503	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-0.2	177.5	-87.1	-70.1	0	0	0	114.6	T787 E788 L789 K796	T787-N791 PolarHBondContact O-ND2 2.89Å; E788-N791 CarbonylContact O-C 3.43Å; E788-N791 VanDerWaalsContact O-CA 3.27Å; E788-N791 WeakPolarHBondContact O-CA 3.4Å; E788-N791 WeakPolarHBondContact O-CB 3.34Å; E788-N791 PolarHBondContact O-N 3.35Å; L789-N791 PolarHBondContact O-N 2.94Å; L789-N791 VanDerWaalsContact O-N 3.12Å; N791-K796 WeakPolarHBondContact O-CD 3.43Å; N791-K796 VanDerWaalsContact O-CE 3.22Å; N791-K796 WeakPolarHBondContact O-CE 3.47Å; N791-K796 PolarHBondContact O-NZ 3.21Å; N791-K796 PolarHBondContact OD1-NZ 3.5Å
792	D	93.1	Very high	77.8	Confident	45 Å²	45	85.2 Å²	85.2	24%	0.241	44%	0.435	C	S	.	.	S	Bend	trans	-72.2	157.1	-177.2	-176.7	-105.3	0	0	0	114.1	F771 E788 L789 F794 L795 K796	F771-D792 HydrophobicContact CD2-CB 3.79Å; F771-D792 WeakPolarHBondContact CD2-OD1 3.41Å; F771-D792 HydrophobicContact CE2-CB 4.02Å; E788-D792 PolarHBondContact O-N 2.71Å; L789-D792 PolarHBondContact O-N 3.47Å; L789-D792 VanDerWaalsContact O-N 3.11Å; D792-F794 VanDerWaalsContact C-N 3.34Å; D792-F794 PolarHBondContact O-N 2.98Å; D792-F794 WeakPolarHBondContact OD1-CB 3.33Å; D792-F794 PolarHBondContact OD1-N 2.94Å; D792-L795 PolarHBondContact O-N 3.18Å; D792-K796 WeakPolarHBondContact O-CB 3.16Å; D792-K796 WeakPolarHBondContact O-CG 3.29Å; D792-K796 PolarHBondContact O-N 3.43Å
793	C	86.8	Confident	75.1	Confident	73 Å²	73	87 Å²	87	49%	0.493	44%	0.442	S	S	.	.	H	α-helix	trans	-57.9	-37.7	176.2	68.6	0	0	0	0	114	L795 K796 S797	C793-L795 PolarHBondContact O-N 2.82Å; C793-K796 CarbonylContact O-C 3.59Å; C793-K796 PolarHBondContact O-N 2.77Å; C793-K796 VanDerWaalsContact O-N 3.13Å; C793-S797 PolarHBondContact O-N 2.59Å
794	F	89.4	Confident	72.1	Confident	5 Å²	5	95.4 Å²	95.4	2%	0.022	48%	0.479	C	S	.	.	H	α-helix	trans	-60.3	-44.8	-179.3	178.4	-122.4	0	0	0	111.7	E634 I638 E767 A768 F771 D792 K796	E634-F794 HydrophobicContact CB-CE2 4.41Å; I638-F794 HydrophobicContact CD1-CD2 4.04Å; I638-F794 HydrophobicContact CD1-CE2 3.67Å; I638-F794 HydrophobicContact CD1-CZ 4.01Å; I638-F794 HydrophobicContact CG1-CD1 4.13Å; I638-F794 HydrophobicContact CG1-CD2 4.09Å; I638-F794 HydrophobicContact CG1-CE1 3.68Å; I638-F794 HydrophobicContact CG1-CE2 3.62Å; I638-F794 HydrophobicContact CG1-CG 4.32Å; I638-F794 HydrophobicContact CG1-CZ 3.41Å; I638-F794 VanDerWaalsContact CG1-CZ 3.41Å; E767-F794 HydrophobicContact CB-CD2 4.34Å; A768-F794 HydrophobicContact CB-CD2 4.03Å; A768-F794 HydrophobicContact CB-CE2 3.45Å; A768-F794 VanDerWaalsContact CB-CE2 3.45Å; A768-F794 HydrophobicContact CB-CZ 3.76Å; F771-F794 HydrophobicContact CB-CB 3.98Å; F771-F794 HydrophobicContact CB-CD1 3.84Å; F771-F794 HydrophobicContact CB-CG 4.09Å; F771-F794 AromaticContact CD1-CD1 3.73Å; F771-F794 HydrophobicContact CD1-CD1 3.73Å; F771-F794 HydrophobicContact CD1-CE1 4.1Å; F771-F794 HydrophobicContact CD2-CB 3.99Å; F771-F794 AromaticContact CD2-CD1 3.88Å; F771-F794 HydrophobicContact CD2-CD1 3.88Å; F771-F794 HydrophobicContact CD2-CG 4.41Å; F771-F794 HydrophobicContact CE1-CD1 4.26Å; F771-F794 HydrophobicContact CE2-CD1 4.37Å; F771-F794 HydrophobicContact CG-CB 4.13Å; F771-F794 AromaticContact CG-CD1 3.52Å; F771-F794 HydrophobicContact CG-CD1 3.52Å; F771-F794 HydrophobicContact CG-CE1 4.32Å; F771-F794 HydrophobicContact CG-CG 4.18Å; D792-F794 VanDerWaalsContact C-N 3.34Å; D792-F794 PolarHBondContact O-N 2.98Å; D792-F794 WeakPolarHBondContact OD1-CB 3.33Å; D792-F794 PolarHBondContact OD1-N 2.94Å; F794-K796 VanDerWaalsContact C-N 3.33Å
795	L	87.2	Confident	69.2	Low	19 Å²	19	99.8 Å²	99.8	10%	0.099	51%	0.506	C	S	.	.	H	α-helix	trans	-81.3	-11	178	-55.2	-172.2	0	0	0	113.8	I638 T641 K642 L645 F771 L789 D792 C793	I638-L795 HydrophobicContact CB-CD2 4.3Å; I638-L795 HydrophobicContact CG1-CD2 4.32Å; I638-L795 HydrophobicContact CG2-CD2 3.93Å; T641-L795 HydrophobicContact CG2-CD2 4.16Å; K642-L795 HydrophobicContact CB-CD1 4.36Å; L645-L795 HydrophobicContact CD1-CD1 3.67Å; F771-L795 HydrophobicContact CE2-CD1 3.83Å; F771-L795 HydrophobicContact CE2-CD2 4.32Å; F771-L795 HydrophobicContact CE2-CG 3.74Å; F771-L795 HydrophobicContact CZ-CD1 3.84Å; F771-L795 HydrophobicContact CZ-CD2 4.22Å; F771-L795 HydrophobicContact CZ-CG 4.02Å; L789-L795 WeakPolarHBondContact O-CD1 3.48Å; D792-L795 PolarHBondContact O-N 3.18Å; C793-L795 PolarHBondContact O-N 2.82Å
796	K	76.4	Confident	66.6	Low	121 Å²	121	102.5 Å²	102.5	53%	0.526	53%	0.525	S	S	.	.	H	α-helix	trans	-99.9	-13.5	178.7	-75.8	175	175.5	168.7	0	114.1	N791 D792 C793 F794 P798	N791-K796 WeakPolarHBondContact O-CD 3.43Å; N791-K796 VanDerWaalsContact O-CE 3.22Å; N791-K796 WeakPolarHBondContact O-CE 3.47Å; N791-K796 PolarHBondContact O-NZ 3.21Å; N791-K796 PolarHBondContact OD1-NZ 3.5Å; D792-K796 WeakPolarHBondContact O-CB 3.16Å; D792-K796 WeakPolarHBondContact O-CG 3.29Å; D792-K796 PolarHBondContact O-N 3.43Å; C793-K796 CarbonylContact O-C 3.59Å; C793-K796 PolarHBondContact O-N 2.77Å; C793-K796 VanDerWaalsContact O-N 3.13Å; F794-K796 VanDerWaalsContact C-N 3.33Å; K796-P798 VanDerWaalsContact O-CD 3.28Å; K796-P798 WeakPolarHBondContact O-CD 3.4Å
797	S	58.8	Low	63.6	Low	83 Å²	83	111.4 Å²	111.4	58%	0.58	56%	0.563	S	S	*	*			trans	-62.5	113.4	-172.9	-165.5	0	0	0	0	111.9	C793	C793-S797 PolarHBondContact O-N 2.59Å
798	P	47.4	Very low	60.5	Low	107 Å²	107	115.1 Å²	115.1	70%	0.695	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-73.2	139.7	179.3	30.5	-33.6	0	0	0	110.2	K796 R800	K796-P798 VanDerWaalsContact O-CD 3.28Å; K796-P798 WeakPolarHBondContact O-CD 3.4Å; P798-R800 PolarHBondContact O-N 2.88Å
799	S	40	Very low	57.6	Low	118 Å²	118	114.3 Å²	114.3	83%	0.825	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-49.1	127.2	179	48.5	0	0	0	0	111.6	K801	S799-K801 PolarHBondContact O-N 2.91Å
800	R	38.3	Very low	54.6	Low	238 Å²	238	121 Å²	121	90%	0.898	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-51.5	123.5	-166.4	-76.1	-178.5	175	162.5	0.4	111.6	P798 R802	P798-R800 PolarHBondContact O-N 2.88Å; R800-R802 PolarHBondContact O-N 3.07Å
801	K	36.1	Very low	51.6	Low	199 Å²	199	125.9 Å²	125.9	87%	0.865	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-48.6	124.7	-178.2	-65.9	174.6	178.8	175.2	0	111.3	S799 I803	S799-K801 PolarHBondContact O-N 2.91Å; K801-I803 PolarHBondContact O-N 3.02Å
802	R	34.9	Very low	48.8	Very low	238 Å²	238	129.1 Å²	129.1	90%	0.898	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-61.8	118.7	165.5	-69.1	178.7	76.6	176.5	7.7	108.3	R800 K804	R800-R802 PolarHBondContact O-N 3.07Å; R802-K804 PolarHBondContact O-N 3.32Å
803	I	37.9	Very low	45.8	Very low	170 Å²	170	132.6 Å²	132.6	87%	0.872	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-67.9	123.1	176.5	-60.2	171.5	0	0	0	109	K801	K801-I803 PolarHBondContact O-N 3.02Å
804	K	32.6	Very low	43	Very low	184 Å²	184	134.1 Å²	134.1	80%	0.8	69%	0.689	S	S	*	*			trans	-141	151.9	161.4	-91.5	-164.8	172.7	-173.2	0	109.7	R802	R802-K804 PolarHBondContact O-N 3.32Å
805	P	35.1	Very low	40.1	Very low	116 Å²	116	138.6 Å²	138.6	75%	0.753	72%	0.721	S	S	*	*			trans	-72.9	161.6	-171.3	30	-36.3	0	0	0	113.2
806	P	39.5	Very low	37.2	Very low	124 Å²	124	145.4 Å²	145.4	81%	0.805	76%	0.757	S	S	*	*			trans	-79.8	152.7	-170.9	32.7	-37	0	0	0	113.8
807	K	32.6	Very low	34.8	Very low	189 Å²	189	144.7 Å²	144.7	82%	0.822	77%	0.767	S	S	*	*			trans	-166.6	115.6	146.7	-108.4	171.6	179.1	-174.6	0	112.6
808	D	31.1	Very low	33.3	Very low	135 Å²	135	146 Å²	146	72%	0.722	77%	0.772	S	S	*	*			trans	55.1	124.2	137.6	-46.3	-22.8	0	0	0	123.5
809	S	31.6	Very low	32.3	Very low	99 Å²	99	148.2 Å²	148.2	69%	0.692	78%	0.778	S	S	*	*			trans	67.2	115.8	137.8	61.1	0	0	0	0	123.5
810	D	32.5	Very low	31.8	Very low	146 Å²	146	152.1 Å²	152.1	78%	0.781	78%	0.776	S	S	*	*				99.8	129.3	120.3	-74.8	-10.6	0	0	0	125.3
811	L	31.9	Very low	31.4	Very low	140 Å²	140	148.9 Å²	148.9	73%	0.733	77%	0.771	S	S	*	*			trans	75.3	98.5	143.3	-65.8	167.6	0	0	0	123.6
812	K	32.4	Very low	31	Very low	163 Å²	163	150 Å²	150	71%	0.709	77%	0.77	S	S	*	*				75.7	138.7	114.4	-90.8	-178.1	144.2	-99.6	0	125.4
813	D	29.2	Very low	30.9	Very low	117 Å²	117	143.5 Å²	143.5	63%	0.626	76%	0.761	S	S	*	*			trans	84	113.5	140	-60.1	-13.7	0	0	0	124.4
814	S	28.8	Very low	30.3	Very low	106 Å²	106	143.9 Å²	143.9	74%	0.741	76%	0.763	S	S	*	*			trans	57.3	106.9	135.4	66.5	0	0	0	0	125.4
815	S	27.9	Very low	30.1	Very low	99 Å²	99	139.4 Å²	139.4	69%	0.692	76%	0.755	S	S	*	*				63.6	129	123.8	68.1	0	0	0	0	125.1
816	N	26.5	Very low	29.9	Very low	162 Å²	162	140.2 Å²	140.2	87%	0.866	76%	0.758	S	S	*	*			trans	90.4	140.3	140.4	-69.6	2	0	0	0	123.4
817	S	25.3	Very low	29.7	Very low	106 Å²	106	139.7 Å²	139.7	74%	0.741	75%	0.754	S	S	*	*			trans	82.4	120	160.3	-125.6	0	0	0	0	122.1
818	T	28.2	Very low	29.4	Very low	110 Å²	110	137 Å²	137	68%	0.675	75%	0.753	S	S	*	*			trans	13.7	129.2	137	55.2	0	0	0	0	118.4
819	D	26.9	Very low	29.1	Very low	153 Å²	153	135.8 Å²	135.8	82%	0.818	76%	0.755	S	S	*	*				-167.8	-177.8	70.8	-112.1	-38.8	0	0	0	115.6
820	Y	29.1	Very low	28.8	Very low	201 Å²	201	138.4 Å²	138.4	79%	0.788	76%	0.76	S	S	*	*			trans	-82.2	137.1	-179.1	-77.8	-104.3	0	0	0	115.2
821	H	29.1	Very low	28.4	Very low	170 Å²	170	139.2 Å²	139.2	79%	0.787	76%	0.764	S	S	*	*				170.2	145.9	106.5	-98.7	-70.5	0	0	0	117
822	R	28.6	Very low	28.1	Very low	223 Å²	223	137.1 Å²	137.1	84%	0.842	76%	0.756	S	S	*	*			trans	69.6	125.9	147.6	-94.9	-175	173.4	149.7	1.4	123.4
823	S	32.8	Very low	27.8	Very low	101 Å²	101	138.3 Å²	138.3	71%	0.706	77%	0.765	S	S	*	*			trans	75.5	126.1	134.6	-58.2	0	0	0	0	121.4
824	L	24.6	Very low	27.7	Very low	177 Å²	177	139.2 Å²	139.2	93%	0.927	77%	0.769	S	S	*	*				-166.4	177.5	112.4	-101.9	166.9	0	0	0	111.7
825	S	28.5	Very low	27.6	Very low	90 Å²	90	140.2 Å²	140.2	63%	0.629	77%	0.771	S	S	*	*			trans	-122.1	150.4	-153.7	52.8	0	0	0	0	116.6
826	V	30.2	Very low	27.5	Very low	133 Å²	133	142.3 Å²	142.3	81%	0.806	77%	0.774	S	S	*	*				35.3	130.7	125.7	-164.4	0	0	0	0	116.9
827	P	36.9	Very low	27.5	Very low	114 Å²	114	139.7 Å²	139.7	74%	0.74	77%	0.769	S	S	*	*				-158.2	-163.2	64.5	43.7	-20.8	0	0	0	118.6
828	V	24.7	Very low	27.5	Very low	131 Å²	131	141.8 Å²	141.8	79%	0.794	77%	0.772	S	S	*	*			trans	105.8	126.2	166.5	179.5	0	0	0	0	115
829	S	24.9	Very low	27.3	Very low	110 Å²	110	142.5 Å²	142.5	77%	0.769	78%	0.776	S	S	*	*			cis	-159.7	151.9	-24.3	-93.7	0	0	0	0	108.4
830	I	25	Very low	27.2	Very low	155 Å²	155	139 Å²	139	80%	0.795	78%	0.777	S	S	*	*			trans	-90.2	139.7	173.9	-64.1	172.5	0	0	0	109.9	V832	I830-V832 HydrophobicContact CG2-CG2 3.86Å
831	L	24.5	Very low	26.9	Very low	163 Å²	163	134.4 Å²	134.4	85%	0.853	77%	0.774	S	S	*	*			trans	-141.5	127.9	159.3	-113.3	160.7	0	0	0	107.4
832	V	26.9	Very low	26.7	Very low	95 Å²	95	132.6 Å²	132.6	58%	0.576	77%	0.774	S	S	*	*			trans	-133.8	133.7	179.3	177.5	0	0	0	0	106.6	I830	I830-V832 HydrophobicContact CG2-CG2 3.86Å
833	E	25.8	Very low	26.4	Very low	189 Å²	189	128.1 Å²	128.1	88%	0.883	77%	0.767	S	S	*	*			trans	-131.4	119.4	162.1	-70.5	-173.4	135.3	0	0	107.2
834	D	26.9	Very low	26	Very low	136 Å²	136	130.5 Å²	130.5	73%	0.727	77%	0.771	S	S	*	*			trans	-93	141.6	174.5	-58.5	-68.8	0	0	0	109.7
835	T	27.1	Very low	26	Very low	127 Å²	127	126.4 Å²	126.4	78%	0.779	76%	0.763	S	S	*	*			trans	176.6	130.3	130.1	24.5	0	0	0	0	114.1
836	D	25.3	Very low	25.7	Very low	142 Å²	142	127.6 Å²	127.6	76%	0.759	77%	0.771	S	S	*	*			trans	47	121.1	133.1	-54.6	-15.3	0	0	0	124.4
837	S	27.1	Very low	25.3	Very low	108 Å²	108	126.8 Å²	126.8	76%	0.755	77%	0.771	S	S	*	*				76.1	114.4	126.5	73.5	0	0	0	0	123.1
838	D	24.6	Very low	24.7	Very low	149 Å²	149	129 Å²	129	80%	0.797	78%	0.776	S	S	*	*				78.4	146.2	124.7	-108.1	-29.7	0	0	0	126
839	T	24.5	Very low	24.6	Very low	125 Å²	125	127.9 Å²	127.9	77%	0.767	77%	0.766	S	S	*	*			trans	65.8	100.5	155.8	55.3	0	0	0	0	123.4
840	G	23.4	Very low	24.5	Very low	81 Å²	81	130.5 Å²	130.5	84%	0.835	77%	0.768	S	S	*	*			trans	71.3	179.6	138.5	0	0	0	0	0	119.6
841	S	23.2	Very low	24.4	Very low	104 Å²	104	132 Å²	132	73%	0.727	76%	0.764	S	S	*	*			cis	-169.5	137	-25.6	-169.3	0	0	0	0	110
842	V	25.2	Very low	24.6	Very low	131 Å²	131	133 Å²	133	79%	0.794	76%	0.761	S	S	*	*			trans	54.3	156.1	168.6	-73.4	0	0	0	0	118.6
843	D	23.3	Very low	24.3	Very low	129 Å²	129	139.5 Å²	139.5	69%	0.69	78%	0.775	S	S	*	*			cis	-150.8	178.2	-2.9	-140	-26.2	0	0	0	112.9
844	L	24.1	Very low	24.1	Very low	151 Å²	151	142.5 Å²	142.5	79%	0.791	78%	0.779	S	S	*	*			trans	31.5	136.3	147.9	-106.9	64.1	0	0	0	120.2
845	A	23.7	Very low	23.8	Very low	91 Å²	91	140.6 Å²	140.6	75%	0.752	78%	0.776	S	S	*	*			cis	-163.1	166.4	34.9	0	0	0	0	0	114.5
846	S	22.1	Very low	24.1	Very low	115 Å²	115	140.7 Å²	140.7	80%	0.804	78%	0.779	S	S	*	*			trans	-75.6	145.1	170.9	56.3	0	0	0	0	113.9
847	S	21.6	Very low	24.1	Very low	116 Å²	116	140.5 Å²	140.5	81%	0.811	78%	0.777	S	S	*	*				-176.2	147.3	102	-169.2	0	0	0	0	113.5
848	L	24.7	Very low	24.1	Very low	161 Å²	161	146 Å²	146	84%	0.843	78%	0.781	S	S	*	*			trans	-69.9	142.1	163.1	-63.8	148.3	0	0	0	111.1
849	D	22.4	Very low	24.2	Very low	108 Å²	108	144.3 Å²	144.3	58%	0.578	78%	0.776	S	S	*	*				-166	168.7	104	-131.8	-25.5	0	0	0	106.8	R851	D849-R851 PolarHBondContact OD1-N 2.86Å
850	M	23	Very low	24.3	Very low	165 Å²	165	144.8 Å²	144.8	81%	0.813	78%	0.779	S	S	*	*			cis	-134.2	136.6	41.9	-88.3	-93.6	82.9	0	0	114
851	R	23.6	Very low	24.3	Very low	187 Å²	187	143.9 Å²	143.9	71%	0.706	77%	0.77	S	S	*	*			trans	-84.3	147.5	162.3	-92.9	-179.3	-67.2	-167.3	-2.3	113.8	D849	D849-R851 PolarHBondContact OD1-N 2.86Å
852	K	27.2	Very low	24.5	Very low	184 Å²	184	147.4 Å²	147.4	80%	0.8	78%	0.778	S	S	*	*			trans	63	153.5	145.6	-69	176.8	174.9	-173.1	0	120
853	R	22	Very low	24.4	Very low	231 Å²	231	146 Å²	146	87%	0.872	77%	0.774	S	S	*	*				-144.1	154.6	126.9	-97.2	169	-160.4	-143.5	2.9	106.2
854	W	20.8	Very low	24.4	Very low	252 Å²	252	149.2 Å²	149.2	96%	0.955	79%	0.785	S	S	*	*			cis	-131.4	-176.1	45.5	-72.8	-51.7	0	0	0	115.6
855	S	20.7	Very low	24.3	Very low	95 Å²	95	147.1 Å²	147.1	66%	0.664	78%	0.783	S	S	*	*			trans	-114	166.6	-172.6	52	0	0	0	0	113.3
856	P	33.4	Very low	25.2	Very low	130 Å²	130	148.3 Å²	148.3	84%	0.844	78%	0.784	S	S	*	*				-130.2	178.6	127.5	28.2	-12.1	0	0	0	113.4
857	L	25.5	Very low	25.8	Very low	138 Å²	138	148.3 Å²	148.3	72%	0.723	78%	0.781	S	S	*	*			trans	-106.6	139	-168.4	-82.7	84.6	0	0	0	114.4
858	R	27.5	Very low	25.9	Very low	224 Å²	224	148.2 Å²	148.2	85%	0.845	78%	0.779	S	S	*	*			trans	61.8	149.3	135.1	-67.4	-166.1	173.8	-168.4	-2	119.4
859	V	26.8	Very low	26.2	Very low	113 Å²	113	146.1 Å²	146.1	69%	0.685	78%	0.775	S	S	*	*			cis	-162.5	148.3	-4.7	116.9	0	0	0	0	110.8
860	T	25.3	Very low	26.6	Very low	134 Å²	134	146.4 Å²	146.4	82%	0.822	79%	0.785	S	S	*	*			trans	30.4	144.5	161.6	64.6	0	0	0	0	122.3
861	G	24.3	Very low	26.7	Very low	63 Å²	63	141.5 Å²	141.5	65%	0.649	78%	0.777	S	S	*	*			cis	155	-177.9	2.9	0	0	0	0	0	111.9
862	I	26.5	Very low	26.7	Very low	177 Å²	177	142 Å²	142	91%	0.908	79%	0.785	S	S	*	*			trans	71.6	146	179.3	-47	175	0	0	0	113.8
863	S	24.1	Very low	26.5	Very low	101 Å²	101	140.1 Å²	140.1	71%	0.706	78%	0.783	S	S	*	*			cis	165.4	120.8	-43.4	167.2	0	0	0	0	108.7
864	E	23.1	Very low	26.7	Very low	197 Å²	197	133.8 Å²	133.8	92%	0.921	77%	0.773	S	S	*	*			trans	-176.3	172.5	147	-107.9	166.4	-151.6	0	0	112.2
865	S	22.8	Very low	26.8	Very low	107 Å²	107	128.2 Å²	128.2	75%	0.748	77%	0.768	S	S	*	*			trans	-165.6	175.3	-168	67.8	0	0	0	0	111.1
866	P	42.8	Very low	27.3	Very low	117 Å²	117	129.5 Å²	129.5	76%	0.76	77%	0.774	S	S	*	*			cis	-117.4	-126.7	-5.7	32.5	-8.4	0	0	0	108.4
867	P	33.6	Very low	27	Very low	115 Å²	115	134.2 Å²	134.2	75%	0.747	78%	0.776	S	S	*	*			cis	-129.7	-142.1	-11.4	43.8	-23.5	0	0	0	114.4
868	C	23.4	Very low	26.9	Very low	113 Å²	113	135.1 Å²	135.1	76%	0.764	78%	0.782	S	S	*	*			trans	-116.7	177.4	-173.4	-46.2	0	0	0	0	111.3
869	P	32	Very low	26.8	Very low	118 Å²	118	129.7 Å²	129.7	77%	0.766	78%	0.778	S	S	*	*			cis	-122.8	158.7	44.1	19.3	5.1	0	0	0	114.1
870	S	29.4	Very low	27.2	Very low	114 Å²	114	130 Å²	130	80%	0.797	79%	0.785	S	S	*	*			cis	71.5	135.3	35.5	78.2	0	0	0	0	115.7
871	G	26	Very low	27.2	Very low	62 Å²	62	128.4 Å²	128.4	64%	0.639	78%	0.78	S	S	*	*			cis	-130.6	-158.1	-8.4	0	0	0	0	0	109.6
872	F	23.8	Very low	27.2	Very low	198 Å²	198	132.5 Å²	132.5	87%	0.868	79%	0.787	S	S	*	*			cis	-152	168	20.8	-68.2	-98.5	0	0	0	107.3
873	L	23.8	Very low	27.2	Very low	144 Å²	144	132.2 Å²	132.2	75%	0.754	78%	0.784	S	S	*	*			cis	-152.4	-179.7	-2.6	-125.3	163.7	0	0	0	109.6
874	S	24.8	Very low	27.2	Very low	97 Å²	97	132.5 Å²	132.5	68%	0.678	79%	0.785	S	S	*	*			trans	-151.4	-174.3	178.1	-63.1	0	0	0	0	110.4
875	T	23.1	Very low	27.7	Very low	136 Å²	136	128.6 Å²	128.6	83%	0.834	78%	0.78	S	S	*	*			trans	79.9	156.7	172.8	77.3	0	0	0	0	116.4
876	P	31.6	Very low	28.2	Very low	121 Å²	121	129.1 Å²	129.1	79%	0.786	78%	0.781	S	S	*	*			cis	-114.9	167.8	-2.4	23.4	-2.1	0	0	0	115.1
877	Y	27	Very low	28	Very low	230 Å²	230	128.3 Å²	128.3	90%	0.902	78%	0.784	S	S	*	*			trans	-81.7	156.2	157	-98.3	-104.8	0	0	0	109.2
878	D	23	Very low	27.8	Very low	157 Å²	157	126.4 Å²	126.4	84%	0.84	77%	0.773	S	S	*	*			trans	-145.1	167.1	151.8	-134.2	-35.7	0	0	0	111.9
879	S	25	Very low	28.5	Very low	109 Å²	109	124.2 Å²	124.2	76%	0.762	76%	0.76	S	S	*	*			trans	-76.2	159.8	-155.6	67.8	0	0	0	0	117.7
880	S	35.7	Very low	28.8	Very low	120 Å²	120	127 Å²	127	84%	0.839	76%	0.762	S	S	*	*			trans	-105.6	130.1	174	58.3	0	0	0	0	112.7
881	S	26.1	Very low	29.1	Very low	101 Å²	101	129 Å²	129	71%	0.706	76%	0.759	S	S	*	*			trans	-153.3	131.4	166	57.4	0	0	0	0	112.7
882	D	23.3	Very low	29.8	Very low	148 Å²	148	129.8 Å²	129.8	79%	0.791	75%	0.749	S	S	*	*			trans	51.5	103.4	153.2	-59.8	-23.2	0	0	0	123.1
883	M	27.2	Very low	30.8	Very low	172 Å²	172	125.7 Å²	125.7	85%	0.847	73%	0.734	S	S	*	*				61.1	136.1	113.7	-65.6	-61.7	-178.6	0	0	123.4
884	S	24.4	Very low	31.7	Very low	106 Å²	106	120.5 Å²	120.5	74%	0.741	72%	0.716	S	S	*	*			trans	81.7	122	152.8	75.9	0	0	0	0	119.8
885	S	33.4	Very low	32.5	Very low	116 Å²	116	121.3 Å²	121.3	81%	0.811	71%	0.712	S	S	*	*			trans	68.6	167.5	154.7	-60.9	0	0	0	0	117.2
886	P	32.2	Very low	33.8	Very low	117 Å²	117	121 Å²	121	76%	0.76	70%	0.7	S	S	*	*			cis	-119.5	-176.9	-2	41.3	-28	0	0	0	114.3
887	A	39	Very low	34.6	Very low	101 Å²	101	121.2 Å²	121.2	84%	0.835	69%	0.691	S	S	*	*			trans	-68	153.9	157.4	0	0	0	0	0	110.5
888	S	30.4	Very low	35.8	Very low	74 Å²	74	116 Å²	116	52%	0.517	68%	0.679	S	S	.	*			trans	-140.7	142.6	-179.4	67	0	0	0	0	114.4	N892	S888-N892 WeakPolarHBondContact CB-ND2 3.43Å; S888-N892 PolarHBondContact OG-ND2 3.46Å
889	S	36.5	Very low	37.8	Very low	68 Å²	68	117.1 Å²	117.1	48%	0.476	67%	0.671	S	S	.	*			trans	-53.3	167.5	168.3	44.7	0	0	0	0	114.7	E891 N892	S889-E891 WeakPolarHBondContact CB-OE2 3.39Å; S889-E891 PolarHBondContact O-N 3.38Å; S889-E891 VanDerWaalsContact O-N 3.1Å; S889-E891 PolarHBondContact OG-OE2 2.86Å; S889-N892 PolarHBondContact O-N 3.16Å
890	E	38.6	Very low	39.8	Very low	176 Å²	176	114.8 Å²	114.8	82%	0.822	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.4	-22.3	177.3	-60.7	-179.4	121.8	0	0	113.4	N892 I893	E890-N892 PolarHBondContact O-N 2.88Å; E890-N892 VanDerWaalsContact O-N 3.13Å; E890-I893 WeakPolarHBondContact O-CB 3.41Å; E890-I893 PolarHBondContact O-N 3.18Å
891	E	37.2	Very low	41.4	Very low	156 Å²	156	111 Å²	111	73%	0.729	62%	0.618	S	S	*	*	H	α-helix	trans	-52.4	-33.6	176.4	-62	168.6	115.7	0	0	113	S889 I893 G894 L895	S889-E891 WeakPolarHBondContact CB-OE2 3.39Å; S889-E891 PolarHBondContact O-N 3.38Å; S889-E891 VanDerWaalsContact O-N 3.1Å; S889-E891 PolarHBondContact OG-OE2 2.86Å; E891-I893 VanDerWaalsContact C-N 3.26Å; E891-I893 PolarHBondContact O-N 3.05Å; E891-G894 PolarHBondContact O-N 3.26Å; E891-L895 PolarHBondContact O-N 2.9Å
892	N	39.3	Very low	43.8	Very low	79 Å²	79	109.8 Å²	109.8	42%	0.422	61%	0.609	S	S	.	*	H	α-helix	trans	-69.3	-20.8	-179.4	-113.6	-14.5	0	0	0	113.5	S888 S889 E890 F896	S888-N892 WeakPolarHBondContact CB-ND2 3.43Å; S888-N892 PolarHBondContact OG-ND2 3.46Å; S889-N892 PolarHBondContact O-N 3.16Å; E890-N892 PolarHBondContact O-N 2.88Å; E890-N892 VanDerWaalsContact O-N 3.13Å; N892-F896 WeakPolarHBondContact O-CB 3.25Å; N892-F896 PolarHBondContact O-N 3.08Å
893	I	44.3	Very low	46.3	Very low	111 Å²	111	105.8 Å²	105.8	57%	0.569	59%	0.586	S	S	*	*	H	α-helix	trans	-67.8	-43.2	173.1	-60.2	174.2	0	0	0	109.7	E890 E891 L895 F896 M897	E890-I893 WeakPolarHBondContact O-CB 3.41Å; E890-I893 PolarHBondContact O-N 3.18Å; E891-I893 VanDerWaalsContact C-N 3.26Å; E891-I893 PolarHBondContact O-N 3.05Å; I893-L895 PolarHBondContact O-N 3.09Å; I893-F896 PolarHBondContact O-N 3.31Å; I893-M897 HydrophobicContact CG2-SD 4.2Å; I893-M897 WeakPolarHBondContact O-CG 3.49Å; I893-M897 PolarHBondContact O-N 3.31Å
894	G	42.6	Very low	48.7	Very low	36 Å²	36	101.6 Å²	101.6	37%	0.371	56%	0.56	S	S	.	*	H	α-helix	trans	-59.8	-45.9	174.6	0	0	0	0	0	111.9	E891 F896 M897 L898	E891-G894 PolarHBondContact O-N 3.26Å; G894-F896 PolarHBondContact O-N 3.39Å; G894-M897 PolarHBondContact O-N 3.08Å; G894-L898 WeakPolarHBondContact O-CG 3.36Å; G894-L898 PolarHBondContact O-N 3.45Å
895	L	43.3	Very low	51.5	Low	114 Å²	114	99.3 Å²	99.3	60%	0.597	54%	0.536	S	S	*	.	H	α-helix	trans	-64.4	-39.1	178.6	-149.7	77.4	0	0	0	112.5	E891 I893 L898 R899	E891-L895 PolarHBondContact O-N 2.9Å; I893-L895 PolarHBondContact O-N 3.09Å; L895-L898 PolarHBondContact O-N 3.31Å; L895-R899 WeakPolarHBondContact O-CB 3.44Å; L895-R899 PolarHBondContact O-N 3.29Å
896	F	49.5	Very low	53.7	Low	130 Å²	130	96.7 Å²	96.7	57%	0.57	52%	0.521	S	S	*	.	H	α-helix	trans	-65.2	-42.3	174	-178.2	-96.1	0	0	0	112.2	N892 I893 G894 R899 K900	N892-F896 WeakPolarHBondContact O-CB 3.25Å; N892-F896 PolarHBondContact O-N 3.08Å; I893-F896 PolarHBondContact O-N 3.31Å; G894-F896 PolarHBondContact O-N 3.39Å; F896-R899 PolarHBondContact O-N 3.14Å; F896-K900 HydrophobicContact CD1-CG 4.31Å; F896-K900 HydrophobicContact CE1-CG 3.97Å; F896-K900 HydrophobicContact CZ-CD 4.46Å; F896-K900 HydrophobicContact CZ-CG 4.1Å; F896-K900 WeakPolarHBondContact O-CG 3.3Å; F896-K900 PolarHBondContact O-N 3.35Å
897	M	48.3	Very low	56	Low	124 Å²	124	93.3 Å²	93.3	61%	0.611	50%	0.498	S	S	*	.	H	α-helix	trans	-63	-44.5	175.5	-75.1	178.6	61.3	0	0	111.9	I893 G894 K900 D901	I893-M897 HydrophobicContact CG2-SD 4.2Å; I893-M897 WeakPolarHBondContact O-CG 3.49Å; I893-M897 PolarHBondContact O-N 3.31Å; G894-M897 PolarHBondContact O-N 3.08Å; M897-K900 PolarHBondContact O-N 3.07Å; M897-D901 PolarHBondContact O-N 3.33Å
898	L	52.7	Low	58.1	Low	121 Å²	121	88.5 Å²	88.5	63%	0.634	46%	0.458	S	S	*	.	H	α-helix	trans	-62.1	-42.3	176	-72.2	168.7	0	0	0	112	G894 L895 K900 D901 S902	G894-L898 WeakPolarHBondContact O-CG 3.36Å; G894-L898 PolarHBondContact O-N 3.45Å; L895-L898 PolarHBondContact O-N 3.31Å; L898-K900 VanDerWaalsContact C-N 3.33Å; L898-K900 PolarHBondContact O-N 3.22Å; L898-D901 PolarHBondContact O-N 3.01Å; L898-S902 WeakPolarHBondContact O-CB 3.29Å; L898-S902 PolarHBondContact O-N 3.47Å
899	R	64.1	Low	60.8	Low	180 Å²	180	86.4 Å²	86.4	68%	0.679	44%	0.44	S	S	*	.	H	α-helix	trans	-60.5	-42.2	174.1	-172.6	173.6	-178.6	160.9	3.5	111.6	L895 F896 S902 E903	L895-R899 WeakPolarHBondContact O-CB 3.44Å; L895-R899 PolarHBondContact O-N 3.29Å; F896-R899 PolarHBondContact O-N 3.14Å; R899-S902 PolarHBondContact O-N 3.02Å; R899-E903 WeakPolarHBondContact O-CG 3.42Å; R899-E903 PolarHBondContact O-N 2.87Å
900	K	67.9	Low	63	Low	61 Å²	61	90.2 Å²	90.2	27%	0.265	44%	0.444	S	S	.	.	H	α-helix	trans	-71.8	-29.1	177.5	-70.5	-73.5	166.3	-124.2	0	113.5	F896 M897 L898 E903 R904	F896-K900 HydrophobicContact CD1-CG 4.31Å; F896-K900 HydrophobicContact CE1-CG 3.97Å; F896-K900 HydrophobicContact CZ-CD 4.46Å; F896-K900 HydrophobicContact CZ-CG 4.1Å; F896-K900 WeakPolarHBondContact O-CG 3.3Å; F896-K900 PolarHBondContact O-N 3.35Å; M897-K900 PolarHBondContact O-N 3.07Å; L898-K900 VanDerWaalsContact C-N 3.33Å; L898-K900 PolarHBondContact O-N 3.22Å; K900-E903 WeakPolarHBondContact CD-OE2 3.17Å; K900-E903 IonicContact NZ-OE1 3.27Å; K900-E903 PolarHBondContact NZ-OE1 2.81Å; K900-E903 IonicContact NZ-OE2 3.49Å; K900-E903 PolarHBondContact NZ-OE2 3.07Å; K900-R904 WeakPolarHBondContact O-CD 3.19Å; K900-R904 VanDerWaalsContact O-CG 3.26Å; K900-R904 WeakPolarHBondContact O-CG 3.43Å; K900-R904 PolarHBondContact O-N 2.94Å
901	D	69.9	Low	65.2	Low	40 Å²	40	82.3 Å²	82.3	21%	0.214	41%	0.408	C	S	.	.	H	α-helix	trans	-72.2	-41	171.5	-158.2	57.4	0	0	0	111.6	M897 L898 E903 R904 R905	M897-D901 PolarHBondContact O-N 3.33Å; L898-D901 PolarHBondContact O-N 3.01Å; D901-E903 PolarHBondContact O-N 3.07Å; D901-R904 WeakPolarHBondContact O-CB 3.45Å; D901-R904 PolarHBondContact O-N 3.34Å; D901-R904 VanDerWaalsContact O-N 3.13Å; D901-R905 WeakPolarHBondContact O-CG 3.42Å; D901-R905 PolarHBondContact O-N 2.95Å; D901-R905 IonicContact OD2-CZ 2.7Å; D901-R905 VanDerWaalsContact OD2-CZ 3.26Å; D901-R905 IonicContact OD2-NE 3.49Å; D901-R905 PolarHBondContact OD2-NE 3.25Å; D901-R905 IonicContact OD2-NH2 3.92Å; D901-R905 PolarHBondContact OD2-NH2 2.81Å
902	S	76.6	Confident	67.5	Low	75 Å²	75	74.9 Å²	74.9	52%	0.524	37%	0.373	S	S	.	.	H	α-helix	trans	-58.7	-45.2	172.6	-173.8	0	0	0	0	112.2	L898 R899 R904 R905 A906	L898-S902 WeakPolarHBondContact O-CB 3.29Å; L898-S902 PolarHBondContact O-N 3.47Å; R899-S902 PolarHBondContact O-N 3.02Å; S902-R904 VanDerWaalsContact C-N 3.31Å; S902-R904 PolarHBondContact O-N 3.31Å; S902-R905 PolarHBondContact O-N 2.99Å; S902-A906 WeakPolarHBondContact O-CB 3.46Å; S902-A906 PolarHBondContact O-N 3.08Å
903	E	74.2	Confident	69.7	Low	65 Å²	65	73.7 Å²	73.7	30%	0.304	37%	0.369	S	S	.	.	H	α-helix	trans	-57.7	-39.6	173.2	-75	170.8	-146	0	0	112.8	R899 K900 D901 T907	R899-E903 WeakPolarHBondContact O-CG 3.42Å; R899-E903 PolarHBondContact O-N 2.87Å; K900-E903 WeakPolarHBondContact CD-OE2 3.17Å; K900-E903 IonicContact NZ-OE1 3.27Å; K900-E903 PolarHBondContact NZ-OE1 2.81Å; K900-E903 IonicContact NZ-OE2 3.49Å; K900-E903 PolarHBondContact NZ-OE2 3.07Å; D901-E903 PolarHBondContact O-N 3.07Å; E903-T907 WeakPolarHBondContact O-CB 3.33Å; E903-T907 PolarHBondContact O-N 3.13Å; E903-T907 PolarHBondContact O-OG1 2.74Å
904	R	79.2	Confident	71.7	Confident	84 Å²	84	72.8 Å²	72.8	32%	0.317	37%	0.365	S	S	.	.	H	α-helix	trans	-68.4	-45.7	176.7	-70	162.9	-174.5	168.7	0.1	111.9	K900 D901 S902 T907 L908 W1005 L1009 L1012	K900-R904 WeakPolarHBondContact O-CD 3.19Å; K900-R904 VanDerWaalsContact O-CG 3.26Å; K900-R904 WeakPolarHBondContact O-CG 3.43Å; K900-R904 PolarHBondContact O-N 2.94Å; D901-R904 WeakPolarHBondContact O-CB 3.45Å; D901-R904 PolarHBondContact O-N 3.34Å; D901-R904 VanDerWaalsContact O-N 3.13Å; S902-R904 VanDerWaalsContact C-N 3.31Å; S902-R904 PolarHBondContact O-N 3.31Å; R904-T907 WeakPolarHBondContact O-CB 3.43Å; R904-T907 PolarHBondContact O-N 3.37Å; R904-L908 WeakPolarHBondContact O-CB 3.34Å; R904-L908 PolarHBondContact O-N 3.01Å; R904-W1005 HydrophobicContact CG-CE3 4.11Å; R904-W1005 HydrophobicContact CG-CZ3 3.66Å; R904-L1009 HydrophobicContact CB-CD2 4.14Å; R904-L1012 HydrophobicContact CB-CD1 3.88Å
905	R	82.8	Confident	73.8	Confident	58 Å²	58	74.3 Å²	74.3	22%	0.219	36%	0.36	C	S	.	.	H	α-helix	trans	-61.6	-45.9	177.3	-69.4	173.9	-171.6	-89.2	-4.3	111.8	D901 S902 T907 L908 H909 I952 L1012	D901-R905 WeakPolarHBondContact O-CG 3.42Å; D901-R905 PolarHBondContact O-N 2.95Å; D901-R905 IonicContact OD2-CZ 2.7Å; D901-R905 VanDerWaalsContact OD2-CZ 3.26Å; D901-R905 IonicContact OD2-NE 3.49Å; D901-R905 PolarHBondContact OD2-NE 3.25Å; D901-R905 IonicContact OD2-NH2 3.92Å; D901-R905 PolarHBondContact OD2-NH2 2.81Å; S902-R905 PolarHBondContact O-N 2.99Å; R905-T907 VanDerWaalsContact C-N 3.33Å; R905-T907 PolarHBondContact O-N 3.01Å; R905-L908 PolarHBondContact O-N 3.04Å; R905-H909 VanDerWaalsContact O-CB 3.3Å; R905-H909 WeakPolarHBondContact O-CB 3.4Å; R905-H909 PolarHBondContact O-N 3.18Å; R905-I952 WeakPolarHBondContact CD-O 3.28Å; R905-I952 VanDerWaalsContact CG-O 3.29Å; R905-I952 WeakPolarHBondContact CG-O 3.37Å; R905-I952 PolarHBondContact NH1-O 3Å; R905-L1012 HydrophobicContact CG-CD1 4.15Å
906	A	78.9	Confident	75.9	Confident	60 Å²	60	70.7 Å²	70.7	50%	0.496	34%	0.341	S	S	.	.	H	α-helix	trans	-61	-41.9	175.6	0	0	0	0	0	111.8	S902 R910	S902-A906 WeakPolarHBondContact O-CB 3.46Å; S902-A906 PolarHBondContact O-N 3.08Å; A906-R910 WeakPolarHBondContact O-CB 3.26Å; A906-R910 PolarHBondContact O-N 3.05Å
907	T	80.3	Confident	77.6	Confident	47 Å²	47	67.5 Å²	67.5	29%	0.288	34%	0.335	S	S	.	.	H	α-helix	trans	-61.9	-46.1	175.1	-59.4	0	0	0	0	111.6	E903 R904 R905 R910 V911	E903-T907 WeakPolarHBondContact O-CB 3.33Å; E903-T907 PolarHBondContact O-N 3.13Å; E903-T907 PolarHBondContact O-OG1 2.74Å; R904-T907 WeakPolarHBondContact O-CB 3.43Å; R904-T907 PolarHBondContact O-N 3.37Å; R905-T907 VanDerWaalsContact C-N 3.33Å; R905-T907 PolarHBondContact O-N 3.01Å; T907-R910 PolarHBondContact O-N 3.48Å; T907-V911 WeakPolarHBondContact O-CG2 3.41Å; T907-V911 PolarHBondContact O-N 2.67Å
908	L	83.8	Confident	79.3	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-70.4	-42	-177.9	-167.9	56.3	0	0	0	112.2	R904 R905 R910 V911 L912 I952 V992 L996 L1009 L1012 L1013	R904-L908 WeakPolarHBondContact O-CB 3.34Å; R904-L908 PolarHBondContact O-N 3.01Å; R905-L908 PolarHBondContact O-N 3.04Å; L908-R910 VanDerWaalsContact C-N 3.33Å; L908-R910 PolarHBondContact O-N 2.95Å; L908-V911 PolarHBondContact O-N 2.9Å; L908-L912 HydrophobicContact CG-CD1 4.23Å; L908-L912 WeakPolarHBondContact O-CB 3.27Å; L908-L912 WeakPolarHBondContact O-CG 3.48Å; L908-L912 PolarHBondContact O-N 3.39Å; L908-I952 HydrophobicContact CB-CG2 4.04Å; L908-I952 HydrophobicContact CD2-CD1 3.99Å; L908-I952 HydrophobicContact CD2-CG1 4.44Å; L908-I952 HydrophobicContact CD2-CG2 3.81Å; L908-I952 HydrophobicContact CG-CD1 4.37Å; L908-I952 HydrophobicContact CG-CG2 4.04Å; L908-V992 HydrophobicContact CD1-CG1 4.18Å; L908-L996 HydrophobicContact CD1-CD1 4.47Å; L908-L1009 HydrophobicContact CB-CD2 4.1Å; L908-L1009 HydrophobicContact CD1-CD2 4.47Å; L908-L1009 HydrophobicContact CD2-CD2 4.3Å; L908-L1012 HydrophobicContact CD2-CB 4.06Å; L908-L1013 HydrophobicContact CD1-CD2 4.17Å; L908-L1013 HydrophobicContact CD1-CG 4.41Å; L908-L1013 HydrophobicContact CD2-CD2 3.92Å; L908-L1013 HydrophobicContact CD2-CG 3.93Å; L908-L1013 HydrophobicContact CG-CD2 4.4Å
909	H	85.9	Confident	80.9	Confident	30 Å²	30	61.8 Å²	61.8	14%	0.139	30%	0.299	C	S	.	.	H	α-helix	trans	-56.4	-46.4	171.2	171.1	-72.8	0	0	0	111.2	R905 L912 T913 R949 E950 R953	R905-H909 VanDerWaalsContact O-CB 3.3Å; R905-H909 WeakPolarHBondContact O-CB 3.4Å; R905-H909 PolarHBondContact O-N 3.18Å; H909-L912 CarbonylContact O-C 3.45Å; H909-L912 PolarHBondContact O-N 2.97Å; H909-T913 PolarHBondContact CE1-OG1 3.2Å; H909-T913 PolarHBondContact O-N 3.38Å; H909-T913 PolarHBondContact O-OG1 3.04Å; H909-R949 HydrophobicContact CB-CG 4.42Å; H909-E950 IonicContact CD2-OE2 3.21Å; H909-E950 IonicContact NE2-OE1 3.69Å; H909-E950 IonicContact NE2-OE2 2.63Å; H909-R953 HydrophobicContact CB-CB 4.48Å; H909-R953 PolarHBondContact CE1-NH1 2.75Å; H909-R953 PolarHBondContact NE2-NH1 3.49Å
910	R	84.3	Confident	81.9	Confident	148 Å²	148	53.2 Å²	53.2	56%	0.558	27%	0.267	S	S	*	.	H	α-helix	trans	-60.9	-47.3	176.6	-177.2	178.5	66	164.9	2.9	111.4	A906 T907 L908 L912 T913 D914	A906-R910 WeakPolarHBondContact O-CB 3.26Å; A906-R910 PolarHBondContact O-N 3.05Å; T907-R910 PolarHBondContact O-N 3.48Å; L908-R910 VanDerWaalsContact C-N 3.33Å; L908-R910 PolarHBondContact O-N 2.95Å; R910-L912 VanDerWaalsContact C-N 3.29Å; R910-L912 PolarHBondContact O-N 3.01Å; R910-T913 WeakPolarHBondContact O-CA 3.3Å; R910-T913 WeakPolarHBondContact O-CB 3.42Å; R910-T913 PolarHBondContact O-N 3.07Å; R910-D914 WeakPolarHBondContact CD-OD2 3.23Å; R910-D914 WeakPolarHBondContact CG-OD2 3.42Å; R910-D914 PolarHBondContact O-N 2.65Å
911	V	84.1	Confident	82.7	Confident	10 Å²	10	53.4 Å²	53.4	6%	0.061	27%	0.273	C	S	.	.	H	α-helix	trans	-60.3	-39.8	177.4	171.9	0	0	0	0	111.7	T907 L908 T913 Y915 V995 L996	T907-V911 WeakPolarHBondContact O-CG2 3.41Å; T907-V911 PolarHBondContact O-N 2.67Å; L908-V911 PolarHBondContact O-N 2.9Å; V911-T913 PolarHBondContact O-N 2.99Å; V911-Y915 HydrophobicContact CG1-CD2 4.26Å; V911-Y915 WeakPolarHBondContact O-CB 3.15Å; V911-Y915 PolarHBondContact O-N 2.92Å; V911-Y915 VanDerWaalsContact O-N 3.13Å; V911-V995 HydrophobicContact CG1-CG1 4.1Å; V911-L996 HydrophobicContact CB-CD2 4.48Å; V911-L996 HydrophobicContact CG1-CD2 4.04Å; V911-L996 HydrophobicContact CG2-CD2 4.14Å
912	L	85.6	Confident	83.4	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-75	0.7	174.1	-67.4	173.4	0	0	0	114.4	L908 H909 R910 I945 R949 I952 F988 V992	L908-L912 HydrophobicContact CG-CD1 4.23Å; L908-L912 WeakPolarHBondContact O-CB 3.27Å; L908-L912 WeakPolarHBondContact O-CG 3.48Å; L908-L912 PolarHBondContact O-N 3.39Å; H909-L912 CarbonylContact O-C 3.45Å; H909-L912 PolarHBondContact O-N 2.97Å; R910-L912 VanDerWaalsContact C-N 3.29Å; R910-L912 PolarHBondContact O-N 3.01Å; L912-I945 HydrophobicContact CD2-CG2 4.29Å; L912-R949 HydrophobicContact CB-CB 4.24Å; L912-R949 HydrophobicContact CB-CG 3.87Å; L912-R949 HydrophobicContact CD1-CB 4.3Å; L912-R949 HydrophobicContact CD1-CG 4.45Å; L912-I952 HydrophobicContact CD1-CD1 3.56Å; L912-F988 HydrophobicContact CD1-CZ 4.11Å; L912-F988 HydrophobicContact CD2-CE2 3.96Å; L912-F988 HydrophobicContact CD2-CZ 3.86Å; L912-V992 HydrophobicContact CD2-CG1 4.43Å; L912-V992 HydrophobicContact CD2-CG2 3.7Å
913	T	86.4	Confident	83.7	Confident	54 Å²	54	50.1 Å²	50.1	33%	0.331	25%	0.246	S	C	.	.	H	α-helix	trans	-105.7	-59.3	171.3	-51.4	0	0	0	0	109.2	H909 R910 V911 Y915 R949	H909-T913 PolarHBondContact CE1-OG1 3.2Å; H909-T913 PolarHBondContact O-N 3.38Å; H909-T913 PolarHBondContact O-OG1 3.04Å; R910-T913 WeakPolarHBondContact O-CA 3.3Å; R910-T913 WeakPolarHBondContact O-CB 3.42Å; R910-T913 PolarHBondContact O-N 3.07Å; V911-T913 PolarHBondContact O-N 2.99Å; T913-Y915 VanDerWaalsContact C-N 3.31Å; T913-Y915 PolarHBondContact O-N 3.07Å; T913-R949 WeakPolarHBondContact OG1-CD 3.33Å
914	D	85.8	Confident	84	Confident	92 Å²	92	50.5 Å²	50.5	49%	0.492	25%	0.248	S	C	.	.	H	α-helix	trans	-68.5	-27.1	-171.7	-57.2	2.4	0	0	0	112.8	R910	R910-D914 WeakPolarHBondContact CD-OD2 3.23Å; R910-D914 WeakPolarHBondContact CG-OD2 3.42Å; R910-D914 PolarHBondContact O-N 2.65Å
915	Y	87.3	Confident	84	Confident	68 Å²	68	52.5 Å²	52.5	27%	0.267	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.3	22.9	-176.7	-54.7	-80.8	0	0	0	113.3	V911 T913 S917 Y918 V919 V995 Q999	V911-Y915 HydrophobicContact CG1-CD2 4.26Å; V911-Y915 WeakPolarHBondContact O-CB 3.15Å; V911-Y915 PolarHBondContact O-N 2.92Å; V911-Y915 VanDerWaalsContact O-N 3.13Å; T913-Y915 VanDerWaalsContact C-N 3.31Å; T913-Y915 PolarHBondContact O-N 3.07Å; Y915-S917 VanDerWaalsContact C-N 3.27Å; Y915-S917 PolarHBondContact O-N 2.69Å; Y915-Y918 AromaticContact CD1-CD2 3.9Å; Y915-Y918 HydrophobicContact CD1-CD2 3.9Å; Y915-Y918 HydrophobicContact CD1-CE2 4.03Å; Y915-Y918 HydrophobicContact CG-CD2 4.5Å; Y915-Y918 PolarHBondContact O-N 3.07Å; Y915-Y918 VanDerWaalsContact O-N 3.16Å; Y915-V919 PolarHBondContact O-N 3.15Å; Y915-V995 HydrophobicContact CD2-CG1 4.48Å; Y915-V995 HydrophobicContact CG-CG1 4.06Å; Y915-Q999 VanDerWaalsContact CE1-NE2 3.29Å; Y915-Q999 HydrophobicContact CE2-CG 4.34Å
916	I	86.2	Confident	83.4	Confident	37 Å²	37	51.6 Å²	51.6	19%	0.19	26%	0.264	C	S	.	.	H	α-helix	trans	-55.5	-40.6	-177.3	-170.7	165.1	0	0	0	112.6	Y918 V919 V920 I942 I945	I916-Y918 PolarHBondContact O-N 2.89Å; I916-V919 PolarHBondContact O-N 3.27Å; I916-V919 VanDerWaalsContact O-N 3.15Å; I916-V920 HydrophobicContact CG1-CG2 4.22Å; I916-V920 VanDerWaalsContact O-CG2 3.28Å; I916-V920 WeakPolarHBondContact O-CG2 3.48Å; I916-V920 PolarHBondContact O-N 2.99Å; I916-I942 HydrophobicContact CD1-CG2 4.14Å; I916-I945 HydrophobicContact CD1-CB 4.27Å; I916-I945 HydrophobicContact CD1-CG2 3.87Å; I916-I945 HydrophobicContact CG1-CD1 4.41Å; I916-I945 HydrophobicContact CG1-CG2 4.05Å
917	S	85.1	Confident	83	Confident	64 Å²	64	51.8 Å²	51.8	45%	0.448	26%	0.256	S	S	.	.	H	α-helix	trans	-56.5	-47.8	176.8	48.3	0	0	0	0	112.6	Y915 V919 V920 T921	Y915-S917 VanDerWaalsContact C-N 3.27Å; Y915-S917 PolarHBondContact O-N 2.69Å; S917-V919 VanDerWaalsContact C-N 3.32Å; S917-V919 PolarHBondContact O-N 2.89Å; S917-V920 PolarHBondContact O-N 3.4Å; S917-T921 PolarHBondContact O-N 3.44Å; S917-T921 PolarHBondContact O-OG1 3.48Å; S917-T921 VanDerWaalsContact O-OG1 3.05Å
918	Y	85.1	Confident	82	Confident	124 Å²	124	54.1 Å²	54.1	49%	0.486	27%	0.272	S	S	.	.	H	α-helix	trans	-62.8	-36.5	177.1	-63.2	-80.9	0	0	0	112.7	Y915 I916 Y922	Y915-Y918 AromaticContact CD1-CD2 3.9Å; Y915-Y918 HydrophobicContact CD1-CD2 3.9Å; Y915-Y918 HydrophobicContact CD1-CE2 4.03Å; Y915-Y918 HydrophobicContact CG-CD2 4.5Å; Y915-Y918 PolarHBondContact O-N 3.07Å; Y915-Y918 VanDerWaalsContact O-N 3.16Å; I916-Y918 PolarHBondContact O-N 2.89Å; Y918-Y922 WeakPolarHBondContact O-CB 3.47Å; Y918-Y922 WeakPolarHBondContact O-CD2 3.17Å; Y918-Y922 PolarHBondContact O-N 2.79Å; Y918-Y922 VanDerWaalsContact O-N 3.08Å
919	V	85.8	Confident	80.6	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-66.8	-41.4	174.9	-179.8	0	0	0	0	110.7	Y915 I916 S917 Y922 L923 I945 F988 A991 V992 V995	Y915-V919 PolarHBondContact O-N 3.15Å; I916-V919 PolarHBondContact O-N 3.27Å; I916-V919 VanDerWaalsContact O-N 3.15Å; S917-V919 VanDerWaalsContact C-N 3.32Å; S917-V919 PolarHBondContact O-N 2.89Å; V919-Y922 PolarHBondContact O-N 3.12Å; V919-L923 HydrophobicContact CG1-CD1 4.08Å; V919-L923 WeakPolarHBondContact O-CG 3.28Å; V919-L923 PolarHBondContact O-N 3.05Å; V919-I945 HydrophobicContact CG1-CD1 3.98Å; V919-F988 HydrophobicContact CG1-CD2 4.38Å; V919-F988 HydrophobicContact CG1-CE2 4.33Å; V919-A991 HydrophobicContact CG1-CB 4.17Å; V919-V992 HydrophobicContact CG1-CG2 3.83Å; V919-V992 HydrophobicContact CG2-CG2 4.2Å; V919-V995 HydrophobicContact CG2-CB 4.5Å; V919-V995 HydrophobicContact CG2-CG2 3.85Å
920	V	85.8	Confident	78.6	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-65.1	-46.6	177.4	173.5	0	0	0	0	111.4	I916 S917 Y922 L923 Q924 E938 I941 I942 I945	I916-V920 HydrophobicContact CG1-CG2 4.22Å; I916-V920 VanDerWaalsContact O-CG2 3.28Å; I916-V920 WeakPolarHBondContact O-CG2 3.48Å; I916-V920 PolarHBondContact O-N 2.99Å; S917-V920 PolarHBondContact O-N 3.4Å; V920-Y922 VanDerWaalsContact C-N 3.35Å; V920-Y922 PolarHBondContact O-N 2.81Å; V920-L923 WeakPolarHBondContact O-CB 3.49Å; V920-L923 PolarHBondContact O-N 2.89Å; V920-Q924 HydrophobicContact CG1-CG 4.43Å; V920-Q924 WeakPolarHBondContact O-CG 3.43Å; V920-Q924 PolarHBondContact O-N 2.83Å; V920-E938 HydrophobicContact CG1-CG 3.53Å; V920-I941 HydrophobicContact CG1-CG2 4.29Å; V920-I941 HydrophobicContact CG2-CG2 4.09Å; V920-I942 HydrophobicContact CG2-CG1 3.83Å; V920-I945 HydrophobicContact CG2-CD1 3.56Å
921	T	84.9	Confident	76.5	Confident	65 Å²	65	70.3 Å²	70.3	40%	0.399	36%	0.363	S	S	.	.	H	α-helix	trans	-58.7	-45.3	174.9	-50.9	0	0	0	0	111.2	S917 L923 Q924 E925	S917-T921 PolarHBondContact O-N 3.44Å; S917-T921 PolarHBondContact O-OG1 3.48Å; S917-T921 VanDerWaalsContact O-OG1 3.05Å; T921-L923 PolarHBondContact O-N 2.95Å; T921-Q924 PolarHBondContact O-N 2.89Å; T921-E925 WeakPolarHBondContact O-CB 3.32Å; T921-E925 WeakPolarHBondContact O-CG 3.37Å; T921-E925 PolarHBondContact O-N 2.82Å
922	Y	84.1	Confident	75	Confident	46 Å²	46	79.6 Å²	79.6	18%	0.18	41%	0.406	C	S	.	.	H	α-helix	trans	-67.1	-19.7	177	-73.6	-40.3	0	0	0	114.7	Y918 V919 V920 E925 K994 V995 Q998	Y918-Y922 WeakPolarHBondContact O-CB 3.47Å; Y918-Y922 WeakPolarHBondContact O-CD2 3.17Å; Y918-Y922 PolarHBondContact O-N 2.79Å; Y918-Y922 VanDerWaalsContact O-N 3.08Å; V919-Y922 PolarHBondContact O-N 3.12Å; V920-Y922 VanDerWaalsContact C-N 3.35Å; V920-Y922 PolarHBondContact O-N 2.81Å; Y922-E925 VanDerWaalsContact CD1-OE2 3.28Å; Y922-E925 WeakPolarHBondContact CD1-OE2 3.11Å; Y922-K994 HydrophobicContact CD1-CD 3.57Å; Y922-K994 HydrophobicContact CD2-CB 3.8Å; Y922-K994 HydrophobicContact CD2-CD 3.79Å; Y922-K994 HydrophobicContact CD2-CG 4.47Å; Y922-K994 HydrophobicContact CE1-CD 3.97Å; Y922-K994 HydrophobicContact CE2-CB 3.82Å; Y922-K994 HydrophobicContact CE2-CD 4.14Å; Y922-K994 HydrophobicContact CG-CB 4.42Å; Y922-K994 HydrophobicContact CG-CD 3.52Å; Y922-V995 HydrophobicContact CD2-CG2 4.01Å; Y922-V995 HydrophobicContact CE2-CG2 4.12Å; Y922-Q998 PolarHBondContact OH-NE2 3.32Å
923	L	83.5	Confident	73.2	Confident	0 Å²	0	83 Å²	83	0%	0	44%	0.442	C	S	.	.	H	α-helix	trans	-81.9	-44.8	171.1	-77.6	165.2	0	0	0	111.5	V919 V920 T921 E925 S926 I927 I941 I945 V984 N987 F988 A991	V919-L923 HydrophobicContact CG1-CD1 4.08Å; V919-L923 WeakPolarHBondContact O-CG 3.28Å; V919-L923 PolarHBondContact O-N 3.05Å; V920-L923 WeakPolarHBondContact O-CB 3.49Å; V920-L923 PolarHBondContact O-N 2.89Å; T921-L923 PolarHBondContact O-N 2.95Å; L923-E925 VanDerWaalsContact C-N 3.34Å; L923-E925 PolarHBondContact O-N 3.24Å; L923-S926 WeakPolarHBondContact O-CA 3.49Å; L923-S926 PolarHBondContact O-N 2.82Å; L923-S926 PolarHBondContact O-OG 2.94Å; L923-I927 WeakPolarHBondContact O-CG1 3.45Å; L923-I927 PolarHBondContact O-N 3.36Å; L923-I941 HydrophobicContact CB-CG2 4.43Å; L923-I941 HydrophobicContact CD1-CG2 3.88Å; L923-I945 HydrophobicContact CD1-CD1 3.95Å; L923-I945 HydrophobicContact CD1-CG1 4.5Å; L923-V984 HydrophobicContact CD1-CG1 3.97Å; L923-V984 HydrophobicContact CD2-CG1 4.07Å; L923-V984 HydrophobicContact CG-CG1 4.47Å; L923-N987 HydrophobicContact CD2-CB 3.74Å; L923-F988 HydrophobicContact CD1-CD2 4.4Å; L923-A991 HydrophobicContact CD2-CB 4.1Å; L923-A991 HydrophobicContact CG-CB 3.84Å
924	Q	80.1	Confident	71.8	Confident	74 Å²	74	83.3 Å²	83.3	35%	0.346	45%	0.445	S	S	.	.	H	α-helix	trans	-59.5	-43.3	174.4	-70.7	167.3	-35.4	0	0	111.5	V920 T921 S926 I927 I941	V920-Q924 HydrophobicContact CG1-CG 4.43Å; V920-Q924 WeakPolarHBondContact O-CG 3.43Å; V920-Q924 PolarHBondContact O-N 2.83Å; T921-Q924 PolarHBondContact O-N 2.89Å; Q924-S926 PolarHBondContact O-N 2.77Å; Q924-I927 PolarHBondContact O-N 2.86Å; Q924-I941 HydrophobicContact CG-CD1 3.95Å
925	E	77.9	Confident	70.7	Confident	126 Å²	126	84.1 Å²	84.1	59%	0.589	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-22.8	171.6	-76.8	179.4	-172.3	0	0	114	T921 Y922 L923 K994	T921-E925 WeakPolarHBondContact O-CB 3.32Å; T921-E925 WeakPolarHBondContact O-CG 3.37Å; T921-E925 PolarHBondContact O-N 2.82Å; Y922-E925 VanDerWaalsContact CD1-OE2 3.28Å; Y922-E925 WeakPolarHBondContact CD1-OE2 3.11Å; L923-E925 VanDerWaalsContact C-N 3.34Å; L923-E925 PolarHBondContact O-N 3.24Å; E925-K994 IonicContact OE2-NZ 3.25Å
926	S	70.4	Confident	70	Confident	38 Å²	38	82 Å²	82	27%	0.266	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-6.8	-176.3	73.9	0	0	0	0	114.4	L923 Q924	L923-S926 WeakPolarHBondContact O-CA 3.49Å; L923-S926 PolarHBondContact O-N 2.82Å; L923-S926 PolarHBondContact O-OG 2.94Å; Q924-S926 PolarHBondContact O-N 2.77Å
927	I	70.6	Confident	69.6	Low	65 Å²	65	82.4 Å²	82.4	33%	0.333	46%	0.458	S	S	.	.	S	Bend	trans	-95.3	120.7	179.3	-63.2	163.6	0	0	0	108.4	L923 Q924 Q929 V984	L923-I927 WeakPolarHBondContact O-CG1 3.45Å; L923-I927 PolarHBondContact O-N 3.36Å; Q924-I927 PolarHBondContact O-N 2.86Å; I927-Q929 PolarHBondContact O-N 3.31Å; I927-V984 HydrophobicContact CD1-CG2 4.17Å
928	P	60	Low	69.3	Low	96 Å²	96	83.9 Å²	83.9	62%	0.623	46%	0.458	S	S	*	.			trans	-59.8	137.1	174.1	-23.1	34.1	0	0	0	111.5	L930	P928-L930 PolarHBondContact O-N 2.82Å; P928-L930 VanDerWaalsContact O-N 3.08Å
929	Q	54.2	Low	69.1	Low	199 Å²	199	82.9 Å²	82.9	93%	0.93	46%	0.461	S	S	*	.			trans	-71.1	102.1	170.4	-68.6	-179.2	-10.5	0	0	109	I927	I927-Q929 PolarHBondContact O-N 3.31Å
930	L	43.2	Very low	69	Low	157 Å²	157	84 Å²	84	82%	0.822	47%	0.466	S	S	*	.			trans	-94	157.8	159.5	-107.3	69.1	0	0	0	109.3	P928	P928-L930 PolarHBondContact O-N 2.82Å; P928-L930 VanDerWaalsContact O-N 3.08Å
931	D	40.8	Very low	68.9	Low	162 Å²	162	84 Å²	84	87%	0.866	47%	0.466	S	S	*	.			trans	-61.9	165.8	-169.2	-73.6	-58.7	0	0	0	115.6	G933	D931-G933 PolarHBondContact O-N 2.84Å; D931-G933 VanDerWaalsContact O-N 3.15Å
932	E	51.8	Low	68.9	Low	204 Å²	204	83.7 Å²	83.7	95%	0.953	46%	0.461	S	S	*	.	S	Bend	trans	-51.9	108.8	-168.6	-56.4	-177.3	130.7	0	0	113.6
933	G	49.4	Very low	68.9	Low	73 Å²	73	84.2 Å²	84.2	75%	0.753	47%	0.47	S	S	*	.	S	Bend	trans	-179.3	-26.1	174.6	0	0	0	0	0	121.6	D931	D931-G933 PolarHBondContact O-N 2.84Å; D931-G933 VanDerWaalsContact O-N 3.15Å
934	S	55.8	Low	69	Low	59 Å²	59	84.3 Å²	84.3	41%	0.413	47%	0.47	S	S	.	.			trans	-179.7	60.9	174.2	41	0	0	0	0	114.5
935	S	62.2	Low	69.4	Low	109 Å²	109	80.8 Å²	80.8	76%	0.762	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-70	152.3	172.4	53.6	0	0	0	0	112.4	S937	S935-S937 PolarHBondContact O-N 3.09Å
936	L	72.4	Confident	69.8	Low	23 Å²	23	76.1 Å²	76.1	12%	0.12	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-68.6	121.6	173.7	-111.8	92.4	0	0	0	110.4	H940 I941 L971 I976 L981 V984	L936-H940 HydrophobicContact CD2-CB 3.78Å; L936-H940 HydrophobicContact CG-CB 4.08Å; L936-I941 HydrophobicContact CB-CD1 4.44Å; L936-I941 HydrophobicContact CB-CG1 4.22Å; L936-I941 HydrophobicContact CD2-CG1 3.82Å; L936-L971 HydrophobicContact CG-CD2 4.4Å; L936-I976 HydrophobicContact CD1-CG2 3.89Å; L936-L981 HydrophobicContact CD2-CD2 3.98Å; L936-V984 HydrophobicContact CD2-CG2 4.3Å
937	S	78.9	Confident	70.5	Confident	47 Å²	47	75.2 Å²	75.2	33%	0.329	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-55.5	150.5	166.2	-169.9	0	0	0	0	111.1	S935 D939 H940 I941	S935-S937 PolarHBondContact O-N 3.09Å; S937-D939 PolarHBondContact O-N 3.47Å; S937-D939 PolarHBondContact OG-OD2 3.34Å; S937-H940 WeakPolarHBondContact O-CB 3.44Å; S937-H940 PolarHBondContact O-N 3Å; S937-I941 PolarHBondContact O-N 3.32Å
938	E	79.5	Confident	71.4	Confident	94 Å²	94	72.1 Å²	72.1	44%	0.439	41%	0.414	S	S	.	.	H	α-helix	trans	-52.3	-41	170.9	-158.8	174.7	144.2	0	0	111.2	V920 H940 I941 I942	V920-E938 HydrophobicContact CG1-CG 3.53Å; E938-H940 VanDerWaalsContact C-N 3.3Å; E938-H940 PolarHBondContact O-N 3.42Å; E938-I941 PolarHBondContact O-N 3.13Å; E938-I941 VanDerWaalsContact O-N 3.13Å; E938-I942 HydrophobicContact CG-CD1 4.01Å; E938-I942 WeakPolarHBondContact O-CG1 3.07Å; E938-I942 PolarHBondContact O-N 3.05Å
939	D	79.6	Confident	72.8	Confident	104 Å²	104	69.9 Å²	69.9	56%	0.556	39%	0.393	S	S	*	.	H	α-helix	trans	-59.3	-37.1	177.7	-49.4	-68.5	0	0	0	113.2	S937 I942 T943	S937-D939 PolarHBondContact O-N 3.47Å; S937-D939 PolarHBondContact OG-OD2 3.34Å; D939-I942 PolarHBondContact O-N 2.89Å; D939-T943 VanDerWaalsContact O-CB 3.31Å; D939-T943 WeakPolarHBondContact O-CB 3.06Å; D939-T943 PolarHBondContact O-N 3.09Å; D939-T943 PolarHBondContact O-OG1 3.01Å
940	H	83.1	Confident	74.2	Confident	22 Å²	22	63 Å²	63	10%	0.102	36%	0.361	C	S	.	.	H	α-helix	trans	-70.9	-36.8	178.7	-60.7	150.9	0	0	0	111.1	L936 S937 E938 L944 L967 L971	L936-H940 HydrophobicContact CD2-CB 3.78Å; L936-H940 HydrophobicContact CG-CB 4.08Å; S937-H940 WeakPolarHBondContact O-CB 3.44Å; S937-H940 PolarHBondContact O-N 3Å; E938-H940 VanDerWaalsContact C-N 3.3Å; E938-H940 PolarHBondContact O-N 3.42Å; H940-L944 WeakPolarHBondContact O-CB 3.3Å; H940-L944 PolarHBondContact O-N 2.87Å; H940-L967 HydrophobicContact CB-CD1 4.23Å; H940-L971 HydrophobicContact CB-CD2 4.14Å
941	I	83.6	Confident	76.3	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-69.7	-44	174.3	-56.9	177.6	0	0	0	110	V920 L923 Q924 L936 S937 E938 T943 L944 I945 V984	V920-I941 HydrophobicContact CG1-CG2 4.29Å; V920-I941 HydrophobicContact CG2-CG2 4.09Å; L923-I941 HydrophobicContact CB-CG2 4.43Å; L923-I941 HydrophobicContact CD1-CG2 3.88Å; Q924-I941 HydrophobicContact CG-CD1 3.95Å; L936-I941 HydrophobicContact CB-CD1 4.44Å; L936-I941 HydrophobicContact CB-CG1 4.22Å; L936-I941 HydrophobicContact CD2-CG1 3.82Å; S937-I941 PolarHBondContact O-N 3.32Å; E938-I941 PolarHBondContact O-N 3.13Å; E938-I941 VanDerWaalsContact O-N 3.13Å; I941-T943 PolarHBondContact O-N 3.25Å; I941-L944 PolarHBondContact O-N 3.45Å; I941-I945 HydrophobicContact CG2-CD1 3.89Å; I941-I945 HydrophobicContact CG2-CG1 4.46Å; I941-I945 VanDerWaalsContact O-CG1 3.28Å; I941-I945 WeakPolarHBondContact O-CG1 3.38Å; I941-I945 PolarHBondContact O-N 3Å; I941-V984 HydrophobicContact CG2-CG1 4.15Å
942	I	85.3	Confident	78.5	Confident	59 Å²	59	48.4 Å²	48.4	30%	0.303	28%	0.284	S	S	.	.	H	α-helix	trans	-59.1	-45.2	175.7	-71.7	166.8	0	0	0	111	I916 V920 E938 D939 I945 A946	I916-I942 HydrophobicContact CD1-CG2 4.14Å; V920-I942 HydrophobicContact CG2-CG1 3.83Å; E938-I942 HydrophobicContact CG-CD1 4.01Å; E938-I942 WeakPolarHBondContact O-CG1 3.07Å; E938-I942 PolarHBondContact O-N 3.05Å; D939-I942 PolarHBondContact O-N 2.89Å; I942-I945 PolarHBondContact O-N 3.19Å; I942-A946 WeakPolarHBondContact O-CB 3.43Å; I942-A946 PolarHBondContact O-N 2.83Å
943	T	84.5	Confident	79.9	Confident	58 Å²	58	45.7 Å²	45.7	36%	0.356	27%	0.265	S	S	.	.	H	α-helix	trans	-65.4	-39.8	178.6	-59	0	0	0	0	111.9	D939 I941 A946 C947 L967	D939-T943 VanDerWaalsContact O-CB 3.31Å; D939-T943 WeakPolarHBondContact O-CB 3.06Å; D939-T943 PolarHBondContact O-N 3.09Å; D939-T943 PolarHBondContact O-OG1 3.01Å; I941-T943 PolarHBondContact O-N 3.25Å; T943-A946 PolarHBondContact O-N 3.31Å; T943-C947 PolarHBondContact O-N 2.93Å; T943-C947 PolarHBondContact O-SG 3.04Å; T943-L967 HydrophobicContact CG2-CB 4.15Å; T943-L967 HydrophobicContact CG2-CD1 4.03Å; T943-L967 HydrophobicContact CG2-CG 4.46Å
944	L	86.1	Confident	81.4	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-62.1	-45.9	172.7	-175.7	69.2	0	0	0	111.8	H940 I941 A946 C947 L948 L964 L967 L981 V984 L985	H940-L944 WeakPolarHBondContact O-CB 3.3Å; H940-L944 PolarHBondContact O-N 2.87Å; I941-L944 PolarHBondContact O-N 3.45Å; L944-A946 VanDerWaalsContact C-N 3.3Å; L944-A946 PolarHBondContact O-N 3.19Å; L944-C947 WeakPolarHBondContact O-CB 3.24Å; L944-C947 PolarHBondContact O-N 3.09Å; L944-L948 HydrophobicContact CG-CD1 4.32Å; L944-L948 WeakPolarHBondContact O-CG 3.38Å; L944-L948 PolarHBondContact O-N 3.3Å; L944-L964 HydrophobicContact CD1-CD2 3.76Å; L944-L967 HydrophobicContact CB-CD2 3.82Å; L944-L967 HydrophobicContact CD1-CD2 3.86Å; L944-L967 HydrophobicContact CG-CD2 4.46Å; L944-L981 HydrophobicContact CD1-CD2 4.3Å; L944-L981 HydrophobicContact CD2-CD2 4Å; L944-V984 HydrophobicContact CD2-CB 4.01Å; L944-V984 HydrophobicContact CD2-CG1 3.67Å; L944-L985 HydrophobicContact CD1-CD2 4.28Å; L944-L985 HydrophobicContact CD2-CD2 4.22Å; L944-L985 HydrophobicContact CD2-CG 4.25Å
945	I	87.6	Confident	82.5	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-63.3	-37.8	177.7	-66.7	167.9	0	0	0	110.6	L912 I916 V919 V920 L923 I941 I942 L948 R949 F988	L912-I945 HydrophobicContact CD2-CG2 4.29Å; I916-I945 HydrophobicContact CD1-CB 4.27Å; I916-I945 HydrophobicContact CD1-CG2 3.87Å; I916-I945 HydrophobicContact CG1-CD1 4.41Å; I916-I945 HydrophobicContact CG1-CG2 4.05Å; V919-I945 HydrophobicContact CG1-CD1 3.98Å; V920-I945 HydrophobicContact CG2-CD1 3.56Å; L923-I945 HydrophobicContact CD1-CD1 3.95Å; L923-I945 HydrophobicContact CD1-CG1 4.5Å; I941-I945 HydrophobicContact CG2-CD1 3.89Å; I941-I945 HydrophobicContact CG2-CG1 4.46Å; I941-I945 VanDerWaalsContact O-CG1 3.28Å; I941-I945 WeakPolarHBondContact O-CG1 3.38Å; I941-I945 PolarHBondContact O-N 3Å; I942-I945 PolarHBondContact O-N 3.19Å; I945-L948 PolarHBondContact O-N 3.3Å; I945-R949 WeakPolarHBondContact O-CB 3.35Å; I945-R949 PolarHBondContact O-N 3.45Å; I945-F988 HydrophobicContact CG1-CD2 4.23Å; I945-F988 HydrophobicContact CG1-CE2 3.97Å; I945-F988 HydrophobicContact CG2-CE2 4.25Å
946	A	86.1	Confident	83.3	Confident	28 Å²	28	43.1 Å²	43.1	23%	0.231	23%	0.229	C	C	.	.	H	α-helix	trans	-61.4	-46	174.3	0	0	0	0	0	111.8	I942 T943 L944 L948 R949 E950	I942-A946 WeakPolarHBondContact O-CB 3.43Å; I942-A946 PolarHBondContact O-N 2.83Å; T943-A946 PolarHBondContact O-N 3.31Å; L944-A946 VanDerWaalsContact C-N 3.3Å; L944-A946 PolarHBondContact O-N 3.19Å; A946-L948 VanDerWaalsContact C-N 3.34Å; A946-L948 PolarHBondContact O-N 3.15Å; A946-R949 PolarHBondContact O-N 3.2Å; A946-E950 PolarHBondContact O-N 3.38Å
947	C	86.8	Confident	83.4	Confident	19 Å²	19	49.2 Å²	49.2	13%	0.128	25%	0.25	C	S	.	.	H	α-helix	trans	-58.4	-44.4	175.5	-64.4	0	0	0	0	112	T943 L944 N951 L960 L964	T943-C947 PolarHBondContact O-N 2.93Å; T943-C947 PolarHBondContact O-SG 3.04Å; L944-C947 WeakPolarHBondContact O-CB 3.24Å; L944-C947 PolarHBondContact O-N 3.09Å; C947-N951 WeakPolarHBondContact O-CB 3.39Å; C947-N951 PolarHBondContact O-N 3.27Å; C947-L960 HydrophobicContact CB-CD1 4.21Å; C947-L964 HydrophobicContact CB-CD2 4.3Å
948	L	87.9	Confident	83.3	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-67.2	-39.1	176.5	-67	170.6	0	0	0	112.1	L944 I945 A946 N951 I952 L985 F988 A1016 A1020	L944-L948 HydrophobicContact CG-CD1 4.32Å; L944-L948 WeakPolarHBondContact O-CG 3.38Å; L944-L948 PolarHBondContact O-N 3.3Å; I945-L948 PolarHBondContact O-N 3.3Å; A946-L948 VanDerWaalsContact C-N 3.34Å; A946-L948 PolarHBondContact O-N 3.15Å; L948-N951 PolarHBondContact O-N 2.77Å; L948-I952 WeakPolarHBondContact O-CB 3.44Å; L948-I952 WeakPolarHBondContact O-CD1 3.32Å; L948-I952 VanDerWaalsContact O-CG1 3.25Å; L948-I952 WeakPolarHBondContact O-CG1 3.32Å; L948-I952 PolarHBondContact O-N 2.79Å; L948-L985 HydrophobicContact CD1-CD2 4.06Å; L948-L985 HydrophobicContact CD2-CD2 4.36Å; L948-F988 HydrophobicContact CB-CE1 4.36Å; L948-F988 HydrophobicContact CB-CZ 4.21Å; L948-F988 HydrophobicContact CD1-CD1 3.88Å; L948-F988 HydrophobicContact CD1-CD2 4.19Å; L948-F988 HydrophobicContact CD1-CE1 3.84Å; L948-F988 HydrophobicContact CD1-CE2 4.18Å; L948-F988 HydrophobicContact CD1-CG 4.05Å; L948-F988 HydrophobicContact CD1-CZ 4Å; L948-A1016 HydrophobicContact CD2-CB 4.4Å; L948-A1016 WeakPolarHBondContact CD2-O 3.13Å; L948-A1020 HydrophobicContact CD2-CB 3.75Å
949	R	89.3	Confident	83.3	Confident	49 Å²	49	55.7 Å²	55.7	19%	0.185	27%	0.273	C	S	.	.	H	α-helix	trans	-64.1	-45.7	179.7	-177.8	-170.9	71.8	-145.8	-2.7	112	H909 L912 T913 I945 A946 I952 R953	H909-R949 HydrophobicContact CB-CG 4.42Å; L912-R949 HydrophobicContact CB-CB 4.24Å; L912-R949 HydrophobicContact CB-CG 3.87Å; L912-R949 HydrophobicContact CD1-CB 4.3Å; L912-R949 HydrophobicContact CD1-CG 4.45Å; T913-R949 WeakPolarHBondContact OG1-CD 3.33Å; I945-R949 WeakPolarHBondContact O-CB 3.35Å; I945-R949 PolarHBondContact O-N 3.45Å; A946-R949 PolarHBondContact O-N 3.2Å; R949-I952 WeakPolarHBondContact O-CB 3.26Å; R949-I952 PolarHBondContact O-N 3.23Å; R949-R953 PolarHBondContact O-N 3.18Å
950	E	84.2	Confident	83.5	Confident	56 Å²	56	51 Å²	51	26%	0.262	25%	0.248	S	C	.	.	H	α-helix	trans	-69.4	-37.6	177.5	-58.8	-41.6	136.9	0	0	111.6	H909 A946 I952 R953 S954	H909-E950 IonicContact CD2-OE2 3.21Å; H909-E950 IonicContact NE2-OE1 3.69Å; H909-E950 IonicContact NE2-OE2 2.63Å; A946-E950 PolarHBondContact O-N 3.38Å; E950-I952 VanDerWaalsContact C-N 3.3Å; E950-I952 PolarHBondContact O-N 3.43Å; E950-R953 WeakPolarHBondContact O-CB 3.49Å; E950-R953 PolarHBondContact O-N 3.27Å; E950-R953 VanDerWaalsContact O-N 3.16Å; E950-R953 WeakPolarHBondContact OE2-CD 3.05Å; E950-R953 IonicContact OE2-NH1 2.66Å; E950-S954 PolarHBondContact O-N 3.37Å; E950-S954 VanDerWaalsContact O-O 3.08Å; E950-S954 PolarHBondContact O-OG 2.92Å
951	N	86.9	Confident	83.4	Confident	7 Å²	7	51.2 Å²	51.2	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-63.4	-33.1	172.8	-175.1	56.9	0	0	0	113	C947 L948 S954 P955 L960	C947-N951 WeakPolarHBondContact O-CB 3.39Å; C947-N951 PolarHBondContact O-N 3.27Å; L948-N951 PolarHBondContact O-N 2.77Å; N951-S954 CarbonylContact O-C 3.56Å; N951-P955 WeakPolarHBondContact O-CA 3.18Å; N951-P955 WeakPolarHBondContact OD1-CA 3.29Å; N951-L960 HydrophobicContact CB-CD1 4.15Å; N951-L960 HydrophobicContact CB-CD2 4.37Å
952	I	86.4	Confident	83.4	Confident	4 Å²	4	55.7 Å²	55.7	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-65.3	-45.1	172.1	-76.4	162.8	0	0	0	110.9	R905 L908 L912 L948 R949 E950 L1013 A1016	R905-I952 WeakPolarHBondContact CD-O 3.28Å; R905-I952 VanDerWaalsContact CG-O 3.29Å; R905-I952 WeakPolarHBondContact CG-O 3.37Å; R905-I952 PolarHBondContact NH1-O 3Å; L908-I952 HydrophobicContact CB-CG2 4.04Å; L908-I952 HydrophobicContact CD2-CD1 3.99Å; L908-I952 HydrophobicContact CD2-CG1 4.44Å; L908-I952 HydrophobicContact CD2-CG2 3.81Å; L908-I952 HydrophobicContact CG-CD1 4.37Å; L908-I952 HydrophobicContact CG-CG2 4.04Å; L912-I952 HydrophobicContact CD1-CD1 3.56Å; L948-I952 WeakPolarHBondContact O-CB 3.44Å; L948-I952 WeakPolarHBondContact O-CD1 3.32Å; L948-I952 VanDerWaalsContact O-CG1 3.25Å; L948-I952 WeakPolarHBondContact O-CG1 3.32Å; L948-I952 PolarHBondContact O-N 2.79Å; R949-I952 WeakPolarHBondContact O-CB 3.26Å; R949-I952 PolarHBondContact O-N 3.23Å; E950-I952 VanDerWaalsContact C-N 3.3Å; E950-I952 PolarHBondContact O-N 3.43Å; I952-L1013 HydrophobicContact CD1-CD2 4.11Å; I952-A1016 HydrophobicContact CD1-CB 4.03Å; I952-A1016 HydrophobicContact CG1-CB 3.6Å
953	R	82.6	Confident	83.2	Confident	147 Å²	147	53.6 Å²	53.6	56%	0.555	27%	0.274	S	S	*	.	H	α-helix	trans	-64.3	-47.1	179	-176.3	-172.5	-171.3	147.5	-4.2	112.2	H909 R949 E950	H909-R953 HydrophobicContact CB-CB 4.48Å; H909-R953 PolarHBondContact CE1-NH1 2.75Å; H909-R953 PolarHBondContact NE2-NH1 3.49Å; R949-R953 PolarHBondContact O-N 3.18Å; E950-R953 WeakPolarHBondContact O-CB 3.49Å; E950-R953 PolarHBondContact O-N 3.27Å; E950-R953 VanDerWaalsContact O-N 3.16Å; E950-R953 WeakPolarHBondContact OE2-CD 3.05Å; E950-R953 IonicContact OE2-NH1 2.66Å
954	S	81.4	Confident	83.2	Confident	48 Å²	48	51.1 Å²	51.1	34%	0.336	26%	0.258	S	S	.	.	S	Bend	trans	-146	108.5	-178.5	43.6	0	0	0	0	109	E950 N951 D956	E950-S954 PolarHBondContact O-N 3.37Å; E950-S954 VanDerWaalsContact O-O 3.08Å; E950-S954 PolarHBondContact O-OG 2.92Å; N951-S954 CarbonylContact O-C 3.56Å; S954-D956 PolarHBondContact O-N 3.24Å
955	P	77.4	Confident	82.9	Confident	81 Å²	81	54.9 Å²	54.9	53%	0.526	28%	0.278	S	S	.	.			trans	-77.9	63.8	-173	31.9	-36.2	0	0	0	112.7	N951	N951-P955 WeakPolarHBondContact O-CA 3.18Å; N951-P955 WeakPolarHBondContact OD1-CA 3.29Å
956	D	78.9	Confident	82.6	Confident	59 Å²	59	61.7 Å²	61.7	32%	0.316	31%	0.31	S	S	.	.			trans	-90.2	104.5	171.4	-176.6	0.2	0	0	0	110.4	S954 K958 Q959 L960	S954-D956 PolarHBondContact O-N 3.24Å; D956-K958 PolarHBondContact O-N 3.48Å; D956-K958 VanDerWaalsContact O-N 3.16Å; D956-K958 WeakPolarHBondContact OD1-CB 3.25Å; D956-K958 PolarHBondContact OD1-N 2.67Å; D956-Q959 HydrophobicContact CB-CB 4.23Å; D956-Q959 HydrophobicContact CB-CG 4.21Å; D956-Q959 PolarHBondContact O-N 2.95Å; D956-Q959 WeakPolarHBondContact OD2-CG 3.33Å; D956-Q959 PolarHBondContact OD2-NE2 2.68Å; D956-L960 PolarHBondContact O-N 2.72Å
957	R	75.9	Confident	82.5	Confident	150 Å²	150	60.4 Å²	60.4	57%	0.566	30%	0.299	S	S	*	.	H	α-helix	trans	-59.4	-22.8	176.7	-74.2	-177.7	168.2	174.8	-3.5	113.6	A961 D1019	R957-A961 VanDerWaalsContact O-CB 3.24Å; R957-A961 WeakPolarHBondContact O-CB 3.11Å; R957-A961 PolarHBondContact O-N 3.43Å; R957-D1019 IonicContact CZ-OD1 2.7Å; R957-D1019 VanDerWaalsContact CZ-OD1 3.22Å; R957-D1019 IonicContact NE-OD1 3.31Å; R957-D1019 PolarHBondContact NE-OD1 2.95Å; R957-D1019 IonicContact NH2-OD1 2.96Å; R957-D1019 PolarHBondContact NH2-OD1 2.79Å
958	K	76.7	Confident	82.1	Confident	166 Å²	166	61.8 Å²	61.8	72%	0.722	30%	0.302	S	S	*	.	H	α-helix	trans	-72.6	-47.4	174.9	-64.6	-179.6	178.3	178.2	0	111.1	D956 A961 T962	D956-K958 PolarHBondContact O-N 3.48Å; D956-K958 VanDerWaalsContact O-N 3.16Å; D956-K958 WeakPolarHBondContact OD1-CB 3.25Å; D956-K958 PolarHBondContact OD1-N 2.67Å; K958-A961 PolarHBondContact O-N 2.91Å; K958-T962 PolarHBondContact O-N 3.18Å; K958-T962 PolarHBondContact O-OG1 3.3Å; K958-T962 VanDerWaalsContact O-OG1 3.12Å
959	Q	79.4	Confident	81.6	Confident	112 Å²	112	65.5 Å²	65.5	52%	0.523	33%	0.328	S	S	.	.	H	α-helix	trans	-61.9	-44	176.2	-71.2	171.2	52.1	0	0	111.4	D956 A961 T962 G963	D956-Q959 HydrophobicContact CB-CB 4.23Å; D956-Q959 HydrophobicContact CB-CG 4.21Å; D956-Q959 PolarHBondContact O-N 2.95Å; D956-Q959 WeakPolarHBondContact OD2-CG 3.33Å; D956-Q959 PolarHBondContact OD2-NE2 2.68Å; Q959-A961 VanDerWaalsContact C-N 3.34Å; Q959-A961 PolarHBondContact O-N 2.98Å; Q959-T962 PolarHBondContact O-N 2.78Å; Q959-G963 PolarHBondContact O-N 3.36Å
960	L	83.9	Confident	81.2	Confident	5 Å²	5	66.4 Å²	66.4	3%	0.026	34%	0.338	C	S	.	.	H	α-helix	trans	-59.7	-43.1	174.3	-178.8	63.2	0	0	0	111.9	C947 N951 D956 L964 D1019 V1023	C947-L960 HydrophobicContact CB-CD1 4.21Å; N951-L960 HydrophobicContact CB-CD1 4.15Å; N951-L960 HydrophobicContact CB-CD2 4.37Å; D956-L960 PolarHBondContact O-N 2.72Å; L960-L964 HydrophobicContact CD1-CD1 3.75Å; L960-L964 HydrophobicContact CD1-CG 4.08Å; L960-L964 HydrophobicContact CG-CD1 3.88Å; L960-L964 WeakPolarHBondContact O-CB 3.47Å; L960-L964 VanDerWaalsContact O-CG 3.28Å; L960-L964 WeakPolarHBondContact O-CG 3.47Å; L960-L964 PolarHBondContact O-N 3.23Å; L960-D1019 HydrophobicContact CD2-CB 3.81Å; L960-V1023 HydrophobicContact CD2-CG2 4.27Å; L960-V1023 HydrophobicContact CG-CG2 4.43Å
961	A	80.6	Confident	80.9	Confident	27 Å²	27	63.8 Å²	63.8	22%	0.223	33%	0.326	C	S	.	.	H	α-helix	trans	-64.2	-44.8	176.3	0	0	0	0	0	112.6	R957 K958 Q959 L964 L965 V1023	R957-A961 VanDerWaalsContact O-CB 3.24Å; R957-A961 WeakPolarHBondContact O-CB 3.11Å; R957-A961 PolarHBondContact O-N 3.43Å; K958-A961 PolarHBondContact O-N 2.91Å; Q959-A961 VanDerWaalsContact C-N 3.34Å; Q959-A961 PolarHBondContact O-N 2.98Å; A961-L964 PolarHBondContact O-N 2.94Å; A961-L965 WeakPolarHBondContact O-CB 3.46Å; A961-L965 VanDerWaalsContact O-CG 3.23Å; A961-L965 WeakPolarHBondContact O-CG 3.42Å; A961-L965 PolarHBondContact O-N 3.4Å; A961-V1023 HydrophobicContact CB-CG1 4.16Å
962	T	83.1	Confident	80.5	Confident	93 Å²	93	68.1 Å²	68.1	57%	0.571	35%	0.349	S	S	*	.	H	α-helix	trans	-61.4	-47.5	177.6	-56.9	0	0	0	0	111.8	K958 Q959 L965 E966	K958-T962 PolarHBondContact O-N 3.18Å; K958-T962 PolarHBondContact O-OG1 3.3Å; K958-T962 VanDerWaalsContact O-OG1 3.12Å; Q959-T962 PolarHBondContact O-N 2.78Å; T962-L965 PolarHBondContact O-N 3.02Å; T962-E966 PolarHBondContact O-N 3.34Å
963	G	82.4	Confident	80.1	Confident	16 Å²	16	72.3 Å²	72.3	17%	0.165	39%	0.385	C	S	.	.	H	α-helix	trans	-65.8	-37.9	179.3	0	0	0	0	0	113.8	Q959 E966 L967	Q959-G963 PolarHBondContact O-N 3.36Å; G963-E966 PolarHBondContact O-N 3.05Å; G963-L967 WeakPolarHBondContact O-CB 3.45Å; G963-L967 PolarHBondContact O-N 3.02Å
964	L	83.3	Confident	79.8	Confident	5 Å²	5	67.7 Å²	67.7	3%	0.026	38%	0.377	C	S	.	.	H	α-helix	trans	-71.3	-31.8	175.3	-70.3	175.3	0	0	0	112.7	L944 C947 L960 A961 L967 R968 A1020 V1023 L1024	L944-L964 HydrophobicContact CD1-CD2 3.76Å; C947-L964 HydrophobicContact CB-CD2 4.3Å; L960-L964 HydrophobicContact CD1-CD1 3.75Å; L960-L964 HydrophobicContact CD1-CG 4.08Å; L960-L964 HydrophobicContact CG-CD1 3.88Å; L960-L964 WeakPolarHBondContact O-CB 3.47Å; L960-L964 VanDerWaalsContact O-CG 3.28Å; L960-L964 WeakPolarHBondContact O-CG 3.47Å; L960-L964 PolarHBondContact O-N 3.23Å; A961-L964 PolarHBondContact O-N 2.94Å; L964-L967 HydrophobicContact CD2-CD2 4.47Å; L964-R968 VanDerWaalsContact O-CB 3.24Å; L964-R968 WeakPolarHBondContact O-CB 3.43Å; L964-R968 PolarHBondContact O-N 3.41Å; L964-A1020 HydrophobicContact CD1-CB 3.95Å; L964-V1023 HydrophobicContact CB-CG1 4.31Å; L964-V1023 HydrophobicContact CD1-CB 4.03Å; L964-V1023 HydrophobicContact CD1-CG1 3.84Å; L964-L1024 HydrophobicContact CD1-CG 4.43Å
965	L	80.1	Confident	79.5	Confident	81 Å²	81	69.4 Å²	69.4	42%	0.424	40%	0.395	S	S	.	.	H	α-helix	trans	-69.9	-37.5	171.9	-75.2	168.4	0	0	0	112.1	A961 T962 R968 S969 E1027	A961-L965 WeakPolarHBondContact O-CB 3.46Å; A961-L965 VanDerWaalsContact O-CG 3.23Å; A961-L965 WeakPolarHBondContact O-CG 3.42Å; A961-L965 PolarHBondContact O-N 3.4Å; T962-L965 PolarHBondContact O-N 3.02Å; L965-R968 PolarHBondContact O-N 2.67Å; L965-S969 PolarHBondContact O-N 2.71Å; L965-E1027 WeakPolarHBondContact CD2-OE2 3.31Å
966	E	81.7	Confident	79.4	Confident	142 Å²	142	66.2 Å²	66.2	66%	0.664	37%	0.373	S	S	*	.	H	α-helix	trans	-65.1	-48.9	174	-173.2	168.9	-160.7	0	0	111.1	T962 G963 R968 S969 T970	T962-E966 PolarHBondContact O-N 3.34Å; G963-E966 PolarHBondContact O-N 3.05Å; E966-R968 VanDerWaalsContact C-N 3.3Å; E966-R968 PolarHBondContact O-N 3.21Å; E966-S969 WeakPolarHBondContact O-CA 3.27Å; E966-S969 VanDerWaalsContact O-CB 3.24Å; E966-S969 WeakPolarHBondContact O-CB 3.44Å; E966-S969 PolarHBondContact O-N 2.73Å; E966-T970 PolarHBondContact O-N 3.06Å; E966-T970 VanDerWaalsContact O-N 3.08Å; E966-T970 PolarHBondContact O-OG1 3.41Å; E966-T970 VanDerWaalsContact O-OG1 3.05Å
967	L	82.8	Confident	79.1	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.005	38%	0.376	C	S	.	.	H	α-helix	trans	-57.9	-39.8	172.8	176.6	58.7	0	0	0	112.5	H940 T943 L944 G963 L964 S969 T970 L971 L981	H940-L967 HydrophobicContact CB-CD1 4.23Å; T943-L967 HydrophobicContact CG2-CB 4.15Å; T943-L967 HydrophobicContact CG2-CD1 4.03Å; T943-L967 HydrophobicContact CG2-CG 4.46Å; L944-L967 HydrophobicContact CB-CD2 3.82Å; L944-L967 HydrophobicContact CD1-CD2 3.86Å; L944-L967 HydrophobicContact CG-CD2 4.46Å; G963-L967 WeakPolarHBondContact O-CB 3.45Å; G963-L967 PolarHBondContact O-N 3.02Å; L964-L967 HydrophobicContact CD2-CD2 4.47Å; L967-S969 VanDerWaalsContact C-N 3.29Å; L967-S969 PolarHBondContact O-N 3.45Å; L967-T970 WeakPolarHBondContact CA-OG1 3.21Å; L967-T970 PolarHBondContact O-N 3.34Å; L967-T970 PolarHBondContact O-OG1 2.95Å; L967-L971 HydrophobicContact CD1-CD1 4.17Å; L967-L971 HydrophobicContact CD1-CG 4.24Å; L967-L971 HydrophobicContact CG-CD1 4.03Å; L967-L971 VanDerWaalsContact O-CG 3.3Å; L967-L971 WeakPolarHBondContact O-CG 3.48Å; L967-L971 PolarHBondContact O-N 3.47Å; L967-L981 HydrophobicContact CD2-CD2 4.18Å
968	R	78.4	Confident	78.8	Confident	49 Å²	49	60.5 Å²	60.5	19%	0.185	36%	0.357	C	S	.	.	H	α-helix	trans	-62.3	-37.1	173.9	176.6	174.3	176	-143	-12	111.6	L964 L965 E966 L972 L978 E1027	L964-R968 VanDerWaalsContact O-CB 3.24Å; L964-R968 WeakPolarHBondContact O-CB 3.43Å; L964-R968 PolarHBondContact O-N 3.41Å; L965-R968 PolarHBondContact O-N 2.67Å; E966-R968 VanDerWaalsContact C-N 3.3Å; E966-R968 PolarHBondContact O-N 3.21Å; R968-L972 HydrophobicContact CG-CD1 3.99Å; R968-L972 HydrophobicContact CG-CG 4.46Å; R968-L972 WeakPolarHBondContact O-CB 3.39Å; R968-L972 VanDerWaalsContact O-CG 3.24Å; R968-L972 WeakPolarHBondContact O-CG 3.25Å; R968-L972 PolarHBondContact O-N 2.82Å; R968-L978 HydrophobicContact CB-CD1 4.36Å; R968-L978 HydrophobicContact CG-CD1 3.94Å; R968-E1027 IonicContact CZ-OE2 3.07Å; R968-E1027 IonicContact NH1-OE1 3.36Å; R968-E1027 PolarHBondContact NH1-OE1 2.89Å; R968-E1027 IonicContact NH1-OE2 2.65Å; R968-E1027 PolarHBondContact NH1-OE2 3.37Å
969	S	78.3	Confident	78.4	Confident	78 Å²	78	57.2 Å²	57.2	55%	0.545	35%	0.347	S	S	.	.	H	α-helix	trans	-64.8	-43.2	175.1	-164.3	0	0	0	0	111.8	L965 E966 L967 L972 A973	L965-S969 PolarHBondContact O-N 2.71Å; E966-S969 WeakPolarHBondContact O-CA 3.27Å; E966-S969 VanDerWaalsContact O-CB 3.24Å; E966-S969 WeakPolarHBondContact O-CB 3.44Å; E966-S969 PolarHBondContact O-N 2.73Å; L967-S969 VanDerWaalsContact C-N 3.29Å; L967-S969 PolarHBondContact O-N 3.45Å; S969-L972 PolarHBondContact O-N 2.96Å; S969-A973 WeakPolarHBondContact O-CB 3.33Å; S969-A973 PolarHBondContact O-N 3.11Å
970	T	80.5	Confident	78	Confident	67 Å²	67	53.7 Å²	53.7	41%	0.411	34%	0.335	S	S	.	.	H	α-helix	trans	-64.3	-43.1	175	2.9	0	0	0	0	112.4	E966 L967 A973 A974	E966-T970 PolarHBondContact O-N 3.06Å; E966-T970 VanDerWaalsContact O-N 3.08Å; E966-T970 PolarHBondContact O-OG1 3.41Å; E966-T970 VanDerWaalsContact O-OG1 3.05Å; L967-T970 WeakPolarHBondContact CA-OG1 3.21Å; L967-T970 PolarHBondContact O-N 3.34Å; L967-T970 PolarHBondContact O-OG1 2.95Å; T970-A973 PolarHBondContact O-N 2.91Å; T970-A974 WeakPolarHBondContact O-CB 3.47Å; T970-A974 PolarHBondContact O-N 3.22Å
971	L	78.6	Confident	77.6	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	34%	0.335	C	S	.	.	H	α-helix	trans	-64.5	-39.8	177.6	-69.8	167	0	0	0	112.4	L936 H940 L967 A974 A975 I976 L978 L981	L936-L971 HydrophobicContact CG-CD2 4.4Å; H940-L971 HydrophobicContact CB-CD2 4.14Å; L967-L971 HydrophobicContact CD1-CD1 4.17Å; L967-L971 HydrophobicContact CD1-CG 4.24Å; L967-L971 HydrophobicContact CG-CD1 4.03Å; L967-L971 VanDerWaalsContact O-CG 3.3Å; L967-L971 WeakPolarHBondContact O-CG 3.48Å; L967-L971 PolarHBondContact O-N 3.47Å; L971-A974 CarbonylContact O-C 3.57Å; L971-A974 PolarHBondContact O-N 3.04Å; L971-A975 PolarHBondContact O-N 3.22Å; L971-I976 HydrophobicContact CD2-CB 3.89Å; L971-I976 HydrophobicContact CD2-CD1 4.03Å; L971-I976 HydrophobicContact CD2-CG2 3.9Å; L971-I976 PolarHBondContact O-N 2.79Å; L971-L978 HydrophobicContact CD1-CD1 4.31Å; L971-L981 HydrophobicContact CD1-CD1 3.54Å; L971-L981 HydrophobicContact CD1-CD2 3.97Å; L971-L981 HydrophobicContact CD1-CG 3.77Å
972	L	77	Confident	77.2	Confident	98 Å²	98	56.9 Å²	56.9	51%	0.513	35%	0.345	S	S	.	.	H	α-helix	trans	-66	-40	173.9	-73	169.5	0	0	0	111.8	R968 S969 A974 A975	R968-L972 HydrophobicContact CG-CD1 3.99Å; R968-L972 HydrophobicContact CG-CG 4.46Å; R968-L972 WeakPolarHBondContact O-CB 3.39Å; R968-L972 VanDerWaalsContact O-CG 3.24Å; R968-L972 WeakPolarHBondContact O-CG 3.25Å; R968-L972 PolarHBondContact O-N 2.82Å; S969-L972 PolarHBondContact O-N 2.96Å; L972-A974 VanDerWaalsContact C-N 3.26Å; L972-A974 PolarHBondContact O-N 3.08Å; L972-A975 PolarHBondContact O-N 2.83Å
973	A	79.4	Confident	76.7	Confident	93 Å²	93	57.9 Å²	57.9	77%	0.769	35%	0.345	S	S	*	.	H	α-helix	trans	-66	-28.1	173.9	0	0	0	0	0	113	S969 T970	S969-A973 WeakPolarHBondContact O-CB 3.33Å; S969-A973 PolarHBondContact O-N 3.11Å; T970-A973 PolarHBondContact O-N 2.91Å
974	A	74.9	Confident	76.6	Confident	49 Å²	49	57.1 Å²	57.1	41%	0.405	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	1.8	174.1	0	0	0	0	0	114.1	T970 L971 L972 I976	T970-A974 WeakPolarHBondContact O-CB 3.47Å; T970-A974 PolarHBondContact O-N 3.22Å; L971-A974 CarbonylContact O-C 3.57Å; L971-A974 PolarHBondContact O-N 3.04Å; L972-A974 VanDerWaalsContact C-N 3.26Å; L972-A974 PolarHBondContact O-N 3.08Å; A974-I976 HydrophobicContact CB-CD1 3.94Å; A974-I976 HydrophobicContact CB-CG1 4.03Å; A974-I976 PolarHBondContact O-N 3.45Å
975	A	75.8	Confident	76.6	Confident	85 Å²	85	57.1 Å²	57.1	70%	0.702	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	26.3	-174.7	0	0	0	0	0	115.6	L971 L972	L971-A975 PolarHBondContact O-N 3.22Å; L972-A975 PolarHBondContact O-N 2.83Å
976	I	76.5	Confident	76.6	Confident	14 Å²	14	59.3 Å²	59.3	7%	0.072	34%	0.343	C	S	.	.			trans	-88	128.1	179.5	-61	172.1	0	0	0	109.7	L936 L971 A974	L936-I976 HydrophobicContact CD1-CG2 3.89Å; L971-I976 HydrophobicContact CD2-CB 3.89Å; L971-I976 HydrophobicContact CD2-CD1 4.03Å; L971-I976 HydrophobicContact CD2-CG2 3.9Å; L971-I976 PolarHBondContact O-N 2.79Å; A974-I976 HydrophobicContact CB-CD1 3.94Å; A974-I976 HydrophobicContact CB-CG1 4.03Å; A974-I976 PolarHBondContact O-N 3.45Å
977	P	72.8	Confident	76.7	Confident	59 Å²	59	55 Å²	55	38%	0.383	33%	0.325	S	S	.	.			trans	-73.1	143	-176.4	31.2	-36.6	0	0	0	112.4	N979 S980	P977-N979 VanDerWaalsContact CB-OD1 3.29Å; P977-N979 WeakPolarHBondContact CB-OD1 3.44Å; P977-N979 WeakPolarHBondContact CG-OD1 3.35Å; P977-N979 PolarHBondContact O-N 3.28Å; P977-N979 PolarHBondContact O-OD1 2.76Å; P977-S980 WeakPolarHBondContact O-CB 3.48Å; P977-S980 PolarHBondContact O-N 2.8Å; P977-S980 VanDerWaalsContact O-N 3.15Å; P977-S980 PolarHBondContact O-OG 3.35Å
978	L	69.6	Low	76.9	Confident	30 Å²	30	55 Å²	55	16%	0.157	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-19.2	-168.6	-146.6	75.8	0	0	0	114	R968 L971 S980 L981 L1028	R968-L978 HydrophobicContact CB-CD1 4.36Å; R968-L978 HydrophobicContact CG-CD1 3.94Å; L971-L978 HydrophobicContact CD1-CD1 4.31Å; L978-S980 PolarHBondContact O-N 3.37Å; L978-L981 HydrophobicContact CD1-CD1 4.16Å; L978-L981 HydrophobicContact CG-CD1 4.39Å; L978-L981 PolarHBondContact O-N 2.95Å; L978-L1028 HydrophobicContact CB-CD2 4.28Å; L978-L1028 HydrophobicContact CD2-CD2 3.93Å; L978-L1028 HydrophobicContact CD2-CG 4.24Å
979	N	67.6	Low	77.3	Confident	97 Å²	97	53.8 Å²	53.8	52%	0.519	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-28	173.7	60.3	-12.2	0	0	0	112.5	P977 L981 Q982	P977-N979 VanDerWaalsContact CB-OD1 3.29Å; P977-N979 WeakPolarHBondContact CB-OD1 3.44Å; P977-N979 WeakPolarHBondContact CG-OD1 3.35Å; P977-N979 PolarHBondContact O-N 3.28Å; P977-N979 PolarHBondContact O-OD1 2.76Å; N979-L981 PolarHBondContact O-N 3.03Å; N979-Q982 WeakPolarHBondContact O-CB 3.43Å; N979-Q982 PolarHBondContact O-N 3.26Å
980	S	70.6	Confident	77.6	Confident	38 Å²	38	54.1 Å²	54.1	27%	0.266	32%	0.317	S	S	.	.	H	α-helix	trans	-62.6	-28.6	178.1	-59.3	0	0	0	0	113.1	P977 L978 Q982	P977-S980 WeakPolarHBondContact O-CB 3.48Å; P977-S980 PolarHBondContact O-N 2.8Å; P977-S980 VanDerWaalsContact O-N 3.15Å; P977-S980 PolarHBondContact O-OG 3.35Å; L978-S980 PolarHBondContact O-N 3.37Å; S980-Q982 VanDerWaalsContact C-N 3.27Å; S980-Q982 PolarHBondContact O-N 3.47Å
981	L	74.8	Confident	77.9	Confident	4 Å²	4	51.1 Å²	51.1	2%	0.021	30%	0.299	C	S	.	.	H	α-helix	trans	-64.9	-29.2	171.2	-73.2	176.1	0	0	0	112.9	L936 L944 L967 L971 L978 N979 M983 V984 L985	L936-L981 HydrophobicContact CD2-CD2 3.98Å; L944-L981 HydrophobicContact CD1-CD2 4.3Å; L944-L981 HydrophobicContact CD2-CD2 4Å; L967-L981 HydrophobicContact CD2-CD2 4.18Å; L971-L981 HydrophobicContact CD1-CD1 3.54Å; L971-L981 HydrophobicContact CD1-CD2 3.97Å; L971-L981 HydrophobicContact CD1-CG 3.77Å; L978-L981 HydrophobicContact CD1-CD1 4.16Å; L978-L981 HydrophobicContact CG-CD1 4.39Å; L978-L981 PolarHBondContact O-N 2.95Å; N979-L981 PolarHBondContact O-N 3.03Å; L981-M983 PolarHBondContact O-N 2.81Å; L981-V984 PolarHBondContact O-N 2.81Å; L981-L985 WeakPolarHBondContact O-CG 3.45Å; L981-L985 PolarHBondContact O-N 3.5Å
982	Q	74.1	Confident	78.3	Confident	94 Å²	94	51.1 Å²	51.1	44%	0.439	30%	0.299	S	S	.	.	H	α-helix	trans	-66.8	-37.5	-174.5	-165.9	178.2	-6.1	0	0	111.7	N979 S980 L985 F986	N979-Q982 WeakPolarHBondContact O-CB 3.43Å; N979-Q982 PolarHBondContact O-N 3.26Å; S980-Q982 VanDerWaalsContact C-N 3.27Å; S980-Q982 PolarHBondContact O-N 3.47Å; Q982-L985 PolarHBondContact O-N 2.97Å; Q982-F986 HydrophobicContact CG-CD2 4.03Å; Q982-F986 HydrophobicContact CG-CE2 3.66Å; Q982-F986 HydrophobicContact CG-CZ 4.45Å; Q982-F986 WeakPolarHBondContact O-CD2 3.39Å; Q982-F986 PolarHBondContact O-N 2.94Å
983	M	72.1	Confident	78.6	Confident	114 Å²	114	48.5 Å²	48.5	56%	0.562	28%	0.283	S	S	*	.	H	α-helix	trans	-65.9	-37.9	173.6	-73	-61.9	-159.8	0	0	112.4	L981 N987	L981-M983 PolarHBondContact O-N 2.81Å; M983-N987 PolarHBondContact O-N 3.37Å; M983-N987 VanDerWaalsContact O-N 3.1Å; M983-N987 PolarHBondContact O-ND2 2.96Å
984	V	80	Confident	78.9	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-67	-43.4	176	-172.5	0	0	0	0	110.5	L923 I927 L936 I941 L944 L981 F986 N987 F988	L923-V984 HydrophobicContact CD1-CG1 3.97Å; L923-V984 HydrophobicContact CD2-CG1 4.07Å; L923-V984 HydrophobicContact CG-CG1 4.47Å; I927-V984 HydrophobicContact CD1-CG2 4.17Å; L936-V984 HydrophobicContact CD2-CG2 4.3Å; I941-V984 HydrophobicContact CG2-CG1 4.15Å; L944-V984 HydrophobicContact CD2-CB 4.01Å; L944-V984 HydrophobicContact CD2-CG1 3.67Å; L981-V984 PolarHBondContact O-N 2.81Å; V984-F986 PolarHBondContact O-N 3.25Å; V984-N987 PolarHBondContact O-N 3.41Å; V984-F988 WeakPolarHBondContact O-CB 3.43Å; V984-F988 PolarHBondContact O-N 2.93Å
985	L	82.9	Confident	79.4	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-62.4	-40.1	176.8	-75.5	170	0	0	0	113	L944 L948 L981 Q982 V1017 A1020 I1021 L1024	L944-L985 HydrophobicContact CD1-CD2 4.28Å; L944-L985 HydrophobicContact CD2-CD2 4.22Å; L944-L985 HydrophobicContact CD2-CG 4.25Å; L948-L985 HydrophobicContact CD1-CD2 4.06Å; L948-L985 HydrophobicContact CD2-CD2 4.36Å; L981-L985 WeakPolarHBondContact O-CG 3.45Å; L981-L985 PolarHBondContact O-N 3.5Å; Q982-L985 PolarHBondContact O-N 2.97Å; L985-V1017 HydrophobicContact CB-CG1 4.33Å; L985-A1020 HydrophobicContact CD2-CB 4.21Å; L985-I1021 HydrophobicContact CD1-CG1 4.11Å; L985-L1024 HydrophobicContact CD1-CD1 3.81Å
986	F	80.8	Confident	79.8	Confident	126 Å²	126	42.1 Å²	42.1	55%	0.553	21%	0.213	S	C	*	.	H	α-helix	trans	-67.1	-44.1	175.2	-77.5	-51.6	0	0	0	112.5	Q982 V984	Q982-F986 HydrophobicContact CG-CD2 4.03Å; Q982-F986 HydrophobicContact CG-CE2 3.66Å; Q982-F986 HydrophobicContact CG-CZ 4.45Å; Q982-F986 WeakPolarHBondContact O-CD2 3.39Å; Q982-F986 PolarHBondContact O-N 2.94Å; V984-F986 PolarHBondContact O-N 3.25Å
987	N	82.4	Confident	80	Confident	52 Å²	52	48 Å²	48	28%	0.278	24%	0.239	S	C	.	.	H	α-helix	trans	-79.5	-17.3	-177.4	-72	-64.1	0	0	0	114.1	L923 M983 V984 Q989 D990 A991	L923-N987 HydrophobicContact CD2-CB 3.74Å; M983-N987 PolarHBondContact O-N 3.37Å; M983-N987 VanDerWaalsContact O-N 3.1Å; M983-N987 PolarHBondContact O-ND2 2.96Å; V984-N987 PolarHBondContact O-N 3.41Å; N987-Q989 VanDerWaalsContact C-N 3.28Å; N987-Q989 PolarHBondContact O-N 2.82Å; N987-D990 PolarHBondContact O-N 2.87Å; N987-A991 PolarHBondContact O-N 2.98Å
988	F	87.4	Confident	80.4	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.009	24%	0.242	C	C	.	.	H	α-helix	trans	-52.6	-42.6	-178.7	176.4	-108.5	0	0	0	113.2	L912 V919 L923 I945 L948 V984 D990 V992 L1013 V1017	L912-F988 HydrophobicContact CD1-CZ 4.11Å; L912-F988 HydrophobicContact CD2-CE2 3.96Å; L912-F988 HydrophobicContact CD2-CZ 3.86Å; V919-F988 HydrophobicContact CG1-CD2 4.38Å; V919-F988 HydrophobicContact CG1-CE2 4.33Å; L923-F988 HydrophobicContact CD1-CD2 4.4Å; I945-F988 HydrophobicContact CG1-CD2 4.23Å; I945-F988 HydrophobicContact CG1-CE2 3.97Å; I945-F988 HydrophobicContact CG2-CE2 4.25Å; L948-F988 HydrophobicContact CB-CE1 4.36Å; L948-F988 HydrophobicContact CB-CZ 4.21Å; L948-F988 HydrophobicContact CD1-CD1 3.88Å; L948-F988 HydrophobicContact CD1-CD2 4.19Å; L948-F988 HydrophobicContact CD1-CE1 3.84Å; L948-F988 HydrophobicContact CD1-CE2 4.18Å; L948-F988 HydrophobicContact CD1-CG 4.05Å; L948-F988 HydrophobicContact CD1-CZ 4Å; V984-F988 WeakPolarHBondContact O-CB 3.43Å; V984-F988 PolarHBondContact O-N 2.93Å; F988-D990 VanDerWaalsContact C-N 3.29Å; F988-D990 PolarHBondContact O-N 2.91Å; F988-V992 HydrophobicContact CD2-CG2 4.08Å; F988-V992 HydrophobicContact CE1-CG2 4.4Å; F988-V992 HydrophobicContact CE2-CG2 3.73Å; F988-V992 HydrophobicContact CZ-CG2 3.92Å; F988-V992 VanDerWaalsContact O-CG2 3.31Å; F988-V992 WeakPolarHBondContact O-CG2 3.24Å; F988-V992 PolarHBondContact O-N 3.49Å; F988-V992 VanDerWaalsContact O-N 3.08Å; F988-L1013 HydrophobicContact CD1-CD2 4.4Å; F988-L1013 HydrophobicContact CE1-CD2 3.6Å; F988-L1013 HydrophobicContact CZ-CD2 4.11Å; F988-V1017 HydrophobicContact CD1-CG2 3.69Å; F988-V1017 HydrophobicContact CE1-CG2 4.43Å
989	Q	86.7	Confident	80.7	Confident	22 Å²	22	52.3 Å²	52.3	10%	0.103	25%	0.253	C	S	.	.	H	α-helix	trans	-61.8	-38.3	-178.9	-152	-167	43.8	0	0	112.1	N987 K993 D1010 L1013 R1014	N987-Q989 VanDerWaalsContact C-N 3.28Å; N987-Q989 PolarHBondContact O-N 2.82Å; Q989-K993 VanDerWaalsContact O-CG 3.26Å; Q989-K993 WeakPolarHBondContact O-CG 3.46Å; Q989-K993 PolarHBondContact O-N 3.35Å; Q989-K993 VanDerWaalsContact O-N 3.14Å; Q989-D1010 PolarHBondContact NE2-O 3.12Å; Q989-D1010 PolarHBondContact NE2-OD1 2.93Å; Q989-D1010 PolarHBondContact NE2-OD2 2.92Å; Q989-D1010 PolarHBondContact OE1-OD1 2.78Å; Q989-L1013 HydrophobicContact CG-CB 3.91Å; Q989-L1013 HydrophobicContact CG-CD1 4.3Å; Q989-R1014 VanDerWaalsContact OE1-NH2 3.07Å
990	D	84.3	Confident	81	Confident	86 Å²	86	56 Å²	56	46%	0.46	27%	0.267	S	S	.	.	H	α-helix	trans	-85.9	-32	-175.9	-75.5	-5.5	0	0	0	112.7	N987 F988 K993 K994	N987-D990 PolarHBondContact O-N 2.87Å; F988-D990 VanDerWaalsContact C-N 3.29Å; F988-D990 PolarHBondContact O-N 2.91Å; D990-K993 PolarHBondContact O-N 3.12Å; D990-K993 VanDerWaalsContact OD1-CD 3.3Å; D990-K993 WeakPolarHBondContact OD1-CD 3.41Å; D990-K993 WeakPolarHBondContact OD1-CE 3.36Å; D990-K993 IonicContact OD1-NZ 3.83Å; D990-K993 PolarHBondContact OD1-NZ 3.01Å; D990-K994 PolarHBondContact O-N 2.82Å
991	A	87.4	Confident	81	Confident	4 Å²	4	55.9 Å²	55.9	3%	0.033	26%	0.264	C	S	.	.	H	α-helix	trans	-58.4	-47.2	167.8	0	0	0	0	0	111.4	V919 L923 N987 K993 K994 V995	V919-A991 HydrophobicContact CG1-CB 4.17Å; L923-A991 HydrophobicContact CD2-CB 4.1Å; L923-A991 HydrophobicContact CG-CB 3.84Å; N987-A991 PolarHBondContact O-N 2.98Å; A991-K993 PolarHBondContact O-N 2.71Å; A991-K994 WeakPolarHBondContact O-CB 3.45Å; A991-K994 PolarHBondContact O-N 2.97Å; A991-V995 PolarHBondContact O-N 3.12Å
992	V	87.6	Confident	80.3	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-67	-35.5	176.9	179.8	0	0	0	0	111.7	L908 L912 V919 F988 K994 V995 L996 L1013	L908-V992 HydrophobicContact CD1-CG1 4.18Å; L912-V992 HydrophobicContact CD2-CG1 4.43Å; L912-V992 HydrophobicContact CD2-CG2 3.7Å; V919-V992 HydrophobicContact CG1-CG2 3.83Å; V919-V992 HydrophobicContact CG2-CG2 4.2Å; F988-V992 HydrophobicContact CD2-CG2 4.08Å; F988-V992 HydrophobicContact CE1-CG2 4.4Å; F988-V992 HydrophobicContact CE2-CG2 3.73Å; F988-V992 HydrophobicContact CZ-CG2 3.92Å; F988-V992 VanDerWaalsContact O-CG2 3.31Å; F988-V992 WeakPolarHBondContact O-CG2 3.24Å; F988-V992 PolarHBondContact O-N 3.49Å; F988-V992 VanDerWaalsContact O-N 3.08Å; V992-K994 PolarHBondContact O-N 3.32Å; V992-V995 PolarHBondContact O-N 2.91Å; V992-L996 HydrophobicContact CG1-CD1 3.89Å; V992-L996 HydrophobicContact CG1-CG 4.17Å; V992-L996 WeakPolarHBondContact O-CG 3.49Å; V992-L996 PolarHBondContact O-N 3.24Å; V992-L1013 HydrophobicContact CB-CD1 4.08Å; V992-L1013 HydrophobicContact CB-CD2 4.35Å; V992-L1013 HydrophobicContact CG1-CD1 3.8Å; V992-L1013 HydrophobicContact CG1-CD2 4.09Å; V992-L1013 HydrophobicContact CG2-CD2 4.35Å
993	K	83.6	Confident	79.7	Confident	43 Å²	43	62 Å²	62	19%	0.187	30%	0.299	C	S	.	.	H	α-helix	trans	-61.8	-37	172	-75.6	167.5	-158.1	158.8	0	113.2	Q989 D990 A991 K997 D1010	Q989-K993 VanDerWaalsContact O-CG 3.26Å; Q989-K993 WeakPolarHBondContact O-CG 3.46Å; Q989-K993 PolarHBondContact O-N 3.35Å; Q989-K993 VanDerWaalsContact O-N 3.14Å; D990-K993 PolarHBondContact O-N 3.12Å; D990-K993 VanDerWaalsContact OD1-CD 3.3Å; D990-K993 WeakPolarHBondContact OD1-CD 3.41Å; D990-K993 WeakPolarHBondContact OD1-CE 3.36Å; D990-K993 IonicContact OD1-NZ 3.83Å; D990-K993 PolarHBondContact OD1-NZ 3.01Å; A991-K993 PolarHBondContact O-N 2.71Å; K993-K997 WeakPolarHBondContact O-CB 3.21Å; K993-K997 VanDerWaalsContact O-CG 3.27Å; K993-K997 WeakPolarHBondContact O-CG 3.37Å; K993-K997 PolarHBondContact O-N 2.98Å; K993-D1010 WeakPolarHBondContact CE-OD1 3.21Å; K993-D1010 IonicContact NZ-OD1 3.55Å; K993-D1010 PolarHBondContact NZ-OD1 3.06Å; K993-D1010 VanDerWaalsContact NZ-OD1 3.12Å
994	K	84.4	Confident	79	Confident	87 Å²	87	62.5 Å²	62.5	38%	0.378	30%	0.299	S	S	.	.	H	α-helix	trans	-58.4	-49	175	-70.8	177.3	-179.5	177.1	0	110.2	Y922 E925 D990 A991 V992 K997 Q998	Y922-K994 HydrophobicContact CD1-CD 3.57Å; Y922-K994 HydrophobicContact CD2-CB 3.8Å; Y922-K994 HydrophobicContact CD2-CD 3.79Å; Y922-K994 HydrophobicContact CD2-CG 4.47Å; Y922-K994 HydrophobicContact CE1-CD 3.97Å; Y922-K994 HydrophobicContact CE2-CB 3.82Å; Y922-K994 HydrophobicContact CE2-CD 4.14Å; Y922-K994 HydrophobicContact CG-CB 4.42Å; Y922-K994 HydrophobicContact CG-CD 3.52Å; E925-K994 IonicContact OE2-NZ 3.25Å; D990-K994 PolarHBondContact O-N 2.82Å; A991-K994 WeakPolarHBondContact O-CB 3.45Å; A991-K994 PolarHBondContact O-N 2.97Å; V992-K994 PolarHBondContact O-N 3.32Å; K994-K997 PolarHBondContact O-N 3.32Å; K994-Q998 WeakPolarHBondContact O-CG 3.5Å; K994-Q998 PolarHBondContact O-N 3.48Å
995	V	86.2	Confident	78.4	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.006	32%	0.315	C	S	.	.	H	α-helix	trans	-65.2	-45.4	178.8	-179.9	0	0	0	0	111.9	V911 Y915 V919 Y922 A991 V992 K997 Q998 Q999	V911-V995 HydrophobicContact CG1-CG1 4.1Å; Y915-V995 HydrophobicContact CD2-CG1 4.48Å; Y915-V995 HydrophobicContact CG-CG1 4.06Å; V919-V995 HydrophobicContact CG2-CB 4.5Å; V919-V995 HydrophobicContact CG2-CG2 3.85Å; Y922-V995 HydrophobicContact CD2-CG2 4.01Å; Y922-V995 HydrophobicContact CE2-CG2 4.12Å; A991-V995 PolarHBondContact O-N 3.12Å; V992-V995 PolarHBondContact O-N 2.91Å; V995-K997 VanDerWaalsContact C-N 3.29Å; V995-K997 PolarHBondContact O-N 3.42Å; V995-Q998 WeakPolarHBondContact O-CB 3.2Å; V995-Q998 PolarHBondContact O-N 3.03Å; V995-Q998 VanDerWaalsContact O-N 3.09Å; V995-Q999 PolarHBondContact O-N 2.91Å; V995-Q999 VanDerWaalsContact O-N 3.08Å
996	L	83.6	Confident	77.8	Confident	5 Å²	5	68.4 Å²	68.4	3%	0.026	32%	0.324	C	S	.	.	H	α-helix	trans	-61.9	-33.6	177.8	-71.1	171.4	0	0	0	113	L908 V911 V992 Q999 V1001 L1009	L908-L996 HydrophobicContact CD1-CD1 4.47Å; V911-L996 HydrophobicContact CB-CD2 4.48Å; V911-L996 HydrophobicContact CG1-CD2 4.04Å; V911-L996 HydrophobicContact CG2-CD2 4.14Å; V992-L996 HydrophobicContact CG1-CD1 3.89Å; V992-L996 HydrophobicContact CG1-CG 4.17Å; V992-L996 WeakPolarHBondContact O-CG 3.49Å; V992-L996 PolarHBondContact O-N 3.24Å; L996-Q999 PolarHBondContact O-N 3.08Å; L996-V1001 HydrophobicContact CB-CG2 4.44Å; L996-V1001 HydrophobicContact CD2-CG2 4.09Å; L996-V1001 WeakPolarHBondContact O-CB 3.34Å; L996-V1001 WeakPolarHBondContact O-CG2 3.32Å; L996-V1001 PolarHBondContact O-N 3.06Å; L996-L1009 HydrophobicContact CD1-CB 4.48Å; L996-L1009 HydrophobicContact CD1-CD1 4.1Å; L996-L1009 HydrophobicContact CD2-CD1 4.18Å
997	K	81	Confident	77.1	Confident	138 Å²	138	69.8 Å²	69.8	60%	0.6	33%	0.33	S	S	*	.	H	α-helix	trans	-66.7	-39.9	172.8	-74.9	172.1	-179.7	179.8	0	112.1	K993 K994 V995 Q999 Q1000 M1006	K993-K997 WeakPolarHBondContact O-CB 3.21Å; K993-K997 VanDerWaalsContact O-CG 3.27Å; K993-K997 WeakPolarHBondContact O-CG 3.37Å; K993-K997 PolarHBondContact O-N 2.98Å; K994-K997 PolarHBondContact O-N 3.32Å; V995-K997 VanDerWaalsContact C-N 3.29Å; V995-K997 PolarHBondContact O-N 3.42Å; K997-Q999 VanDerWaalsContact C-N 3.29Å; K997-Q999 PolarHBondContact O-N 3.12Å; K997-Q1000 PolarHBondContact O-N 2.97Å; K997-Q1000 VanDerWaalsContact O-N 3.15Å; K997-M1006 HydrophobicContact CD-CE 4.35Å; K997-M1006 HydrophobicContact CG-CE 3.71Å; K997-M1006 HydrophobicContact CG-SD 4.36Å
998	Q	81.1	Confident	76.5	Confident	99 Å²	99	68.2 Å²	68.2	46%	0.463	32%	0.324	S	S	.	.	H	α-helix	trans	-64.2	-34.6	176.2	-70.4	164.9	-16.1	0	0	111.9	Y922 K994 V995 Q1000	Y922-Q998 PolarHBondContact OH-NE2 3.32Å; K994-Q998 WeakPolarHBondContact O-CG 3.5Å; K994-Q998 PolarHBondContact O-N 3.48Å; V995-Q998 WeakPolarHBondContact O-CB 3.2Å; V995-Q998 PolarHBondContact O-N 3.03Å; V995-Q998 VanDerWaalsContact O-N 3.09Å; Q998-Q1000 PolarHBondContact O-N 3.33Å
999	Q	76.1	Confident	76	Confident	80 Å²	80	68.1 Å²	68.1	37%	0.374	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	16	174	-57.9	-53.6	-34.8	0	0	114.4	Y915 V995 L996 K997 V1001	Y915-Q999 VanDerWaalsContact CE1-NE2 3.29Å; Y915-Q999 HydrophobicContact CE2-CG 4.34Å; V995-Q999 PolarHBondContact O-N 2.91Å; V995-Q999 VanDerWaalsContact O-N 3.08Å; L996-Q999 PolarHBondContact O-N 3.08Å; K997-Q999 VanDerWaalsContact C-N 3.29Å; K997-Q999 PolarHBondContact O-N 3.12Å; Q999-V1001 HydrophobicContact CB-CG2 4.29Å; Q999-V1001 PolarHBondContact O-N 2.84Å; Q999-V1001 VanDerWaalsContact O-N 3.09Å
1000	Q	73.6	Confident	75.6	Confident	175 Å²	175	68.5 Å²	68.5	82%	0.818	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	31.7	178	-56.3	-169	12.2	0	0	115.1	K997 Q998 K1002	K997-Q1000 PolarHBondContact O-N 2.97Å; K997-Q1000 VanDerWaalsContact O-N 3.15Å; Q998-Q1000 PolarHBondContact O-N 3.33Å; Q1000-K1002 PolarHBondContact O-N 3.37Å
1001	V	71.5	Confident	75.4	Confident	35 Å²	35	69.5 Å²	69.5	21%	0.212	33%	0.331	C	S	.	.			trans	-65.1	125	-179.7	176.6	0	0	0	0	110.2	L996 Q999 W1005 M1006 L1009	L996-V1001 HydrophobicContact CB-CG2 4.44Å; L996-V1001 HydrophobicContact CD2-CG2 4.09Å; L996-V1001 WeakPolarHBondContact O-CB 3.34Å; L996-V1001 WeakPolarHBondContact O-CG2 3.32Å; L996-V1001 PolarHBondContact O-N 3.06Å; Q999-V1001 HydrophobicContact CB-CG2 4.29Å; Q999-V1001 PolarHBondContact O-N 2.84Å; Q999-V1001 VanDerWaalsContact O-N 3.09Å; V1001-W1005 HydrophobicContact CG1-CB 3.6Å; V1001-M1006 HydrophobicContact CG1-CG 4.2Å; V1001-L1009 HydrophobicContact CG1-CD1 4.39Å
1002	K	58.9	Low	75.2	Confident	137 Å²	137	70.2 Å²	70.2	60%	0.596	33%	0.334	S	S	*	.			trans	-59.2	141.6	-176.4	-62.9	-177.1	-178.3	-179.4	0	111.2	Q1000 H1004 W1005 M1006	Q1000-K1002 PolarHBondContact O-N 3.37Å; K1002-H1004 VanDerWaalsContact C-N 3.3Å; K1002-H1004 PolarHBondContact O-N 3.16Å; K1002-H1004 VanDerWaalsContact O-N 3.07Å; K1002-W1005 WeakPolarHBondContact O-CB 3.45Å; K1002-W1005 PolarHBondContact O-N 2.99Å; K1002-M1006 PolarHBondContact O-N 3.25Å
1003	P	62.9	Low	75	Confident	90 Å²	90	70.2 Å²	70.2	58%	0.584	34%	0.335	S	S	*	.	H	α-helix	trans	-52.6	-37.8	-172.9	-31.3	36.1	0	0	0	115.8	W1005 M1006 F1007	P1003-W1005 VanDerWaalsContact C-N 3.29Å; P1003-W1005 PolarHBondContact O-N 3.22Å; P1003-M1006 WeakPolarHBondContact O-CB 3.38Å; P1003-M1006 PolarHBondContact O-N 3.44Å; P1003-F1007 WeakPolarHBondContact O-CD2 3.45Å; P1003-F1007 PolarHBondContact O-N 2.97Å
1004	H	56.2	Low	75	Confident	124 Å²	124	74.5 Å²	74.5	57%	0.574	35%	0.35	S	S	*	.	H	α-helix	trans	-66.9	-25.9	177.6	57.4	-102.6	0	0	0	113.9	K1002	K1002-H1004 VanDerWaalsContact C-N 3.3Å; K1002-H1004 PolarHBondContact O-N 3.16Å; K1002-H1004 VanDerWaalsContact O-N 3.07Å
1005	W	67.4	Low	74.9	Confident	87 Å²	87	75.2 Å²	75.2	33%	0.33	35%	0.354	S	S	.	.	H	α-helix	trans	-75.2	-33.6	169.7	-76.8	81.8	0	0	0	111.5	R904 V1001 K1002 P1003 F1007 A1008 L1009	R904-W1005 HydrophobicContact CG-CE3 4.11Å; R904-W1005 HydrophobicContact CG-CZ3 3.66Å; V1001-W1005 HydrophobicContact CG1-CB 3.6Å; K1002-W1005 WeakPolarHBondContact O-CB 3.45Å; K1002-W1005 PolarHBondContact O-N 2.99Å; P1003-W1005 VanDerWaalsContact C-N 3.29Å; P1003-W1005 PolarHBondContact O-N 3.22Å; W1005-F1007 VanDerWaalsContact C-N 3.35Å; W1005-F1007 PolarHBondContact O-N 2.97Å; W1005-A1008 PolarHBondContact O-N 2.94Å; W1005-L1009 WeakPolarHBondContact O-CB 2.95Å; W1005-L1009 VanDerWaalsContact O-CG 3.27Å; W1005-L1009 WeakPolarHBondContact O-CG 3.48Å; W1005-L1009 PolarHBondContact O-N 3.08Å
1006	M	70.2	Confident	74.8	Confident	43 Å²	43	75.3 Å²	75.3	21%	0.212	36%	0.355	C	S	.	.	H	α-helix	trans	-59.8	-43.8	177.2	-60.2	-178.2	65.4	0	0	111.9	K997 V1001 K1002 P1003 A1008 L1009 D1010	K997-M1006 HydrophobicContact CD-CE 4.35Å; K997-M1006 HydrophobicContact CG-CE 3.71Å; K997-M1006 HydrophobicContact CG-SD 4.36Å; V1001-M1006 HydrophobicContact CG1-CG 4.2Å; K1002-M1006 PolarHBondContact O-N 3.25Å; P1003-M1006 WeakPolarHBondContact O-CB 3.38Å; P1003-M1006 PolarHBondContact O-N 3.44Å; M1006-A1008 PolarHBondContact O-N 3.48Å; M1006-L1009 PolarHBondContact O-N 3.4Å; M1006-D1010 PolarHBondContact O-N 2.86Å
1007	F	67.3	Low	75	Confident	156 Å²	156	75.8 Å²	75.8	68%	0.684	36%	0.359	S	S	*	.	H	α-helix	trans	-62.6	-40	175.6	-69.1	-73.4	0	0	0	112.9	P1003 W1005 L1009 D1010	P1003-F1007 WeakPolarHBondContact O-CD2 3.45Å; P1003-F1007 PolarHBondContact O-N 2.97Å; W1005-F1007 VanDerWaalsContact C-N 3.35Å; W1005-F1007 PolarHBondContact O-N 2.97Å; F1007-L1009 VanDerWaalsContact C-N 3.33Å; F1007-L1009 PolarHBondContact O-N 2.85Å; F1007-D1010 PolarHBondContact O-N 2.86Å
1008	A	68.7	Low	75	Confident	18 Å²	18	73.9 Å²	73.9	15%	0.149	35%	0.352	C	S	.	.	H	α-helix	trans	-67.9	-32.8	177.5	0	0	0	0	0	112.7	W1005 M1006	W1005-A1008 PolarHBondContact O-N 2.94Å; M1006-A1008 PolarHBondContact O-N 3.48Å
1009	L	78.3	Confident	75	Confident	1 Å²	1	69.6 Å²	69.6	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-80.4	-30.7	176.4	-64.8	171.6	0	0	0	112.7	R904 L908 L996 V1001 W1005 M1006 F1007 N1011 L1012 L1013	R904-L1009 HydrophobicContact CB-CD2 4.14Å; L908-L1009 HydrophobicContact CB-CD2 4.1Å; L908-L1009 HydrophobicContact CD1-CD2 4.47Å; L908-L1009 HydrophobicContact CD2-CD2 4.3Å; L996-L1009 HydrophobicContact CD1-CB 4.48Å; L996-L1009 HydrophobicContact CD1-CD1 4.1Å; L996-L1009 HydrophobicContact CD2-CD1 4.18Å; V1001-L1009 HydrophobicContact CG1-CD1 4.39Å; W1005-L1009 WeakPolarHBondContact O-CB 2.95Å; W1005-L1009 VanDerWaalsContact O-CG 3.27Å; W1005-L1009 WeakPolarHBondContact O-CG 3.48Å; W1005-L1009 PolarHBondContact O-N 3.08Å; M1006-L1009 PolarHBondContact O-N 3.4Å; F1007-L1009 VanDerWaalsContact C-N 3.33Å; F1007-L1009 PolarHBondContact O-N 2.85Å; L1009-N1011 VanDerWaalsContact C-N 3.3Å; L1009-N1011 PolarHBondContact O-N 2.87Å; L1009-L1012 HydrophobicContact CD2-CD1 4.47Å; L1009-L1012 PolarHBondContact O-N 3.27Å; L1009-L1013 WeakPolarHBondContact O-CG 3.37Å; L1009-L1013 PolarHBondContact O-N 2.58Å
1010	D	78.3	Confident	75.3	Confident	29 Å²	29	65.8 Å²	65.8	16%	0.155	31%	0.314	C	S	.	.	H	α-helix	trans	-56.9	-44.4	176.4	-165.6	85.4	0	0	0	111.5	Q989 K993 M1006 F1007 L1012 L1013 R1014	Q989-D1010 PolarHBondContact NE2-O 3.12Å; Q989-D1010 PolarHBondContact NE2-OD1 2.93Å; Q989-D1010 PolarHBondContact NE2-OD2 2.92Å; Q989-D1010 PolarHBondContact OE1-OD1 2.78Å; K993-D1010 WeakPolarHBondContact CE-OD1 3.21Å; K993-D1010 IonicContact NZ-OD1 3.55Å; K993-D1010 PolarHBondContact NZ-OD1 3.06Å; K993-D1010 VanDerWaalsContact NZ-OD1 3.12Å; M1006-D1010 PolarHBondContact O-N 2.86Å; F1007-D1010 PolarHBondContact O-N 2.86Å; D1010-L1012 PolarHBondContact O-N 3.23Å; D1010-L1013 PolarHBondContact O-N 2.99Å; D1010-R1014 VanDerWaalsContact O-CB 3.31Å; D1010-R1014 WeakPolarHBondContact O-CB 3.39Å; D1010-R1014 PolarHBondContact O-N 2.61Å; D1010-R1014 IonicContact OD2-CZ 2.73Å; D1010-R1014 IonicContact OD2-NE 3.31Å; D1010-R1014 IonicContact OD2-NH2 2.67Å; D1010-R1014 PolarHBondContact OD2-NH2 2.97Å
1011	N	79	Confident	75.6	Confident	107 Å²	107	59.2 Å²	59.2	57%	0.572	28%	0.284	S	S	*	.	H	α-helix	trans	-62.6	-41.3	178.7	-71	-13.5	0	0	0	112.3	L1009 R1014 Q1015	L1009-N1011 VanDerWaalsContact C-N 3.3Å; L1009-N1011 PolarHBondContact O-N 2.87Å; N1011-R1014 PolarHBondContact O-N 2.73Å; N1011-Q1015 WeakPolarHBondContact O-CB 3.45Å; N1011-Q1015 PolarHBondContact O-N 3.01Å
1012	L	82.8	Confident	75.9	Confident	19 Å²	19	60.7 Å²	60.7	10%	0.099	29%	0.293	C	S	.	.	H	α-helix	trans	-67.2	-41.5	177	-68.5	175.2	0	0	0	111.6	R904 R905 L908 L1009 D1010 A1016	R904-L1012 HydrophobicContact CB-CD1 3.88Å; R905-L1012 HydrophobicContact CG-CD1 4.15Å; L908-L1012 HydrophobicContact CD2-CB 4.06Å; L1009-L1012 HydrophobicContact CD2-CD1 4.47Å; L1009-L1012 PolarHBondContact O-N 3.27Å; D1010-L1012 PolarHBondContact O-N 3.23Å; L1012-A1016 WeakPolarHBondContact O-CB 3.33Å; L1012-A1016 PolarHBondContact O-N 3.18Å
1013	L	85.1	Confident	76.7	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-63.7	-44.1	174.2	-70.1	167.7	0	0	0	111.7	L908 I952 F988 Q989 V992 L1009 D1010 A1016 V1017	L908-L1013 HydrophobicContact CD1-CD2 4.17Å; L908-L1013 HydrophobicContact CD1-CG 4.41Å; L908-L1013 HydrophobicContact CD2-CD2 3.92Å; L908-L1013 HydrophobicContact CD2-CG 3.93Å; L908-L1013 HydrophobicContact CG-CD2 4.4Å; I952-L1013 HydrophobicContact CD1-CD2 4.11Å; F988-L1013 HydrophobicContact CD1-CD2 4.4Å; F988-L1013 HydrophobicContact CE1-CD2 3.6Å; F988-L1013 HydrophobicContact CZ-CD2 4.11Å; Q989-L1013 HydrophobicContact CG-CB 3.91Å; Q989-L1013 HydrophobicContact CG-CD1 4.3Å; V992-L1013 HydrophobicContact CB-CD1 4.08Å; V992-L1013 HydrophobicContact CB-CD2 4.35Å; V992-L1013 HydrophobicContact CG1-CD1 3.8Å; V992-L1013 HydrophobicContact CG1-CD2 4.09Å; V992-L1013 HydrophobicContact CG2-CD2 4.35Å; L1009-L1013 WeakPolarHBondContact O-CG 3.37Å; L1009-L1013 PolarHBondContact O-N 2.58Å; D1010-L1013 PolarHBondContact O-N 2.99Å; L1013-A1016 PolarHBondContact O-N 2.82Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.4Å; L1013-V1017 PolarHBondContact O-N 3.3Å
1014	R	83	Confident	77.1	Confident	132 Å²	132	51.9 Å²	51.9	50%	0.498	25%	0.249	S	C	.	.	H	α-helix	trans	-61.1	-44.9	178.2	-172.3	174.6	-58.4	-70.7	-11.5	111.3	Q989 D1010 N1011 V1017 Q1018	Q989-R1014 VanDerWaalsContact OE1-NH2 3.07Å; D1010-R1014 VanDerWaalsContact O-CB 3.31Å; D1010-R1014 WeakPolarHBondContact O-CB 3.39Å; D1010-R1014 PolarHBondContact O-N 2.61Å; D1010-R1014 IonicContact OD2-CZ 2.73Å; D1010-R1014 IonicContact OD2-NE 3.31Å; D1010-R1014 IonicContact OD2-NH2 2.67Å; D1010-R1014 PolarHBondContact OD2-NH2 2.97Å; N1011-R1014 PolarHBondContact O-N 2.73Å; R1014-V1017 PolarHBondContact O-N 2.84Å; R1014-Q1018 WeakPolarHBondContact O-CB 3.29Å; R1014-Q1018 PolarHBondContact O-N 3.09Å
1015	Q	82.6	Confident	77.5	Confident	102 Å²	102	51 Å²	51	48%	0.477	25%	0.248	S	C	.	.	H	α-helix	trans	-63.6	-45.4	178.3	-174.4	57.3	46.2	0	0	111.3	N1011 V1017 Q1018 D1019	N1011-Q1015 WeakPolarHBondContact O-CB 3.45Å; N1011-Q1015 PolarHBondContact O-N 3.01Å; Q1015-V1017 PolarHBondContact O-N 2.87Å; Q1015-Q1018 PolarHBondContact O-N 3.16Å; Q1015-Q1018 VanDerWaalsContact O-N 3.14Å; Q1015-D1019 PolarHBondContact NE2-OD2 3.34Å; Q1015-D1019 PolarHBondContact O-N 3.02Å
1016	A	84.1	Confident	77.1	Confident	3 Å²	3	50.6 Å²	50.6	3%	0.025	26%	0.256	C	S	.	.	H	α-helix	trans	-62.4	-41.2	179.5	0	0	0	0	0	113	L948 I952 L1012 L1013 A1020	L948-A1016 HydrophobicContact CD2-CB 4.4Å; L948-A1016 WeakPolarHBondContact CD2-O 3.13Å; I952-A1016 HydrophobicContact CD1-CB 4.03Å; I952-A1016 HydrophobicContact CG1-CB 3.6Å; L1012-A1016 WeakPolarHBondContact O-CB 3.33Å; L1012-A1016 PolarHBondContact O-N 3.18Å; L1013-A1016 PolarHBondContact O-N 2.82Å; A1016-A1020 PolarHBondContact O-N 2.99Å; A1016-A1020 VanDerWaalsContact O-N 3.12Å
1017	V	86.3	Confident	76.2	Confident	16 Å²	16	51.2 Å²	51.2	10%	0.097	26%	0.259	C	S	.	.	H	α-helix	trans	-64.8	-41.9	172.7	171.2	0	0	0	0	111.1	L985 F988 L1013 R1014 Q1015 A1020 I1021	L985-V1017 HydrophobicContact CB-CG1 4.33Å; F988-V1017 HydrophobicContact CD1-CG2 3.69Å; F988-V1017 HydrophobicContact CE1-CG2 4.43Å; L1013-V1017 WeakPolarHBondContact O-CG2 3.4Å; L1013-V1017 PolarHBondContact O-N 3.3Å; R1014-V1017 PolarHBondContact O-N 2.84Å; Q1015-V1017 PolarHBondContact O-N 2.87Å; V1017-A1020 PolarHBondContact O-N 3.34Å; V1017-I1021 HydrophobicContact CG1-CD1 3.71Å; V1017-I1021 HydrophobicContact CG1-CG1 4.35Å; V1017-I1021 WeakPolarHBondContact O-CB 3.42Å; V1017-I1021 VanDerWaalsContact O-CG1 3.3Å; V1017-I1021 WeakPolarHBondContact O-CG1 3.27Å; V1017-I1021 PolarHBondContact O-N 3.15Å
1018	Q	82.1	Confident	75.2	Confident	97 Å²	97	46 Å²	46	45%	0.453	24%	0.238	S	C	.	.	H	α-helix	trans	-65.8	-40.4	178.8	-175.1	58.4	52.4	0	0	112.5	R1014 Q1015 I1021 T1022	R1014-Q1018 WeakPolarHBondContact O-CB 3.29Å; R1014-Q1018 PolarHBondContact O-N 3.09Å; Q1015-Q1018 PolarHBondContact O-N 3.16Å; Q1015-Q1018 VanDerWaalsContact O-N 3.14Å; Q1018-I1021 PolarHBondContact O-N 3.38Å; Q1018-T1022 PolarHBondContact NE2-OG1 3.29Å; Q1018-T1022 VanDerWaalsContact O-CB 3.32Å; Q1018-T1022 WeakPolarHBondContact O-CB 3.28Å; Q1018-T1022 PolarHBondContact O-N 2.91Å; Q1018-T1022 PolarHBondContact O-OG1 2.96Å
1019	D	81.4	Confident	74	Confident	10 Å²	10	51.8 Å²	51.8	5%	0.053	26%	0.26	C	S	.	.	H	α-helix	trans	-63.3	-43.1	174	-79.5	-59	0	0	0	111.3	R957 L960 Q1015 T1022 V1023	R957-D1019 IonicContact CZ-OD1 2.7Å; R957-D1019 VanDerWaalsContact CZ-OD1 3.22Å; R957-D1019 IonicContact NE-OD1 3.31Å; R957-D1019 PolarHBondContact NE-OD1 2.95Å; R957-D1019 IonicContact NH2-OD1 2.96Å; R957-D1019 PolarHBondContact NH2-OD1 2.79Å; L960-D1019 HydrophobicContact CD2-CB 3.81Å; Q1015-D1019 PolarHBondContact NE2-OD2 3.34Å; Q1015-D1019 PolarHBondContact O-N 3.02Å; D1019-T1022 PolarHBondContact O-N 3.44Å; D1019-V1023 WeakPolarHBondContact O-CG2 3.27Å; D1019-V1023 PolarHBondContact O-N 3.03Å
1020	A	82.8	Confident	72.2	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.1	-44.7	175.8	0	0	0	0	0	112.4	L948 L964 L985 A1016 V1017 T1022 V1023 L1024	L948-A1020 HydrophobicContact CD2-CB 3.75Å; L964-A1020 HydrophobicContact CD1-CB 3.95Å; L985-A1020 HydrophobicContact CD2-CB 4.21Å; A1016-A1020 PolarHBondContact O-N 2.99Å; A1016-A1020 VanDerWaalsContact O-N 3.12Å; V1017-A1020 PolarHBondContact O-N 3.34Å; A1020-T1022 VanDerWaalsContact C-N 3.27Å; A1020-T1022 PolarHBondContact O-N 2.8Å; A1020-V1023 PolarHBondContact O-N 3.4Å; A1020-L1024 WeakPolarHBondContact O-CG 3.49Å; A1020-L1024 PolarHBondContact O-N 2.83Å
1021	I	78.6	Confident	70.4	Confident	36 Å²	36	59.4 Å²	59.4	19%	0.185	30%	0.297	C	S	.	.	H	α-helix	trans	-59.3	-39.7	172.8	-72.2	171.7	0	0	0	110.9	L985 V1017 Q1018 V1023 L1024 L1025	L985-I1021 HydrophobicContact CD1-CG1 4.11Å; V1017-I1021 HydrophobicContact CG1-CD1 3.71Å; V1017-I1021 HydrophobicContact CG1-CG1 4.35Å; V1017-I1021 WeakPolarHBondContact O-CB 3.42Å; V1017-I1021 VanDerWaalsContact O-CG1 3.3Å; V1017-I1021 WeakPolarHBondContact O-CG1 3.27Å; V1017-I1021 PolarHBondContact O-N 3.15Å; Q1018-I1021 PolarHBondContact O-N 3.38Å; I1021-V1023 VanDerWaalsContact C-N 3.35Å; I1021-V1023 PolarHBondContact O-N 2.79Å; I1021-L1024 PolarHBondContact O-N 2.92Å; I1021-L1025 HydrophobicContact CG2-CD1 3.75Å; I1021-L1025 WeakPolarHBondContact O-CB 3.05Å; I1021-L1025 PolarHBondContact O-N 2.9Å
1022	T	77.7	Confident	68.3	Low	66 Å²	66	59 Å²	59	41%	0.405	29%	0.294	S	S	.	.	H	α-helix	trans	-69.9	-30.5	-179.9	-54.1	0	0	0	0	112.4	Q1018 D1019 A1020 P1026	Q1018-T1022 PolarHBondContact NE2-OG1 3.29Å; Q1018-T1022 VanDerWaalsContact O-CB 3.32Å; Q1018-T1022 WeakPolarHBondContact O-CB 3.28Å; Q1018-T1022 PolarHBondContact O-N 2.91Å; Q1018-T1022 PolarHBondContact O-OG1 2.96Å; D1019-T1022 PolarHBondContact O-N 3.44Å; A1020-T1022 VanDerWaalsContact C-N 3.27Å; A1020-T1022 PolarHBondContact O-N 2.8Å; T1022-P1026 VanDerWaalsContact O-CD 3.29Å; T1022-P1026 WeakPolarHBondContact O-CD 3.32Å
1023	V	75.7	Confident	65.9	Low	33 Å²	33	64.3 Å²	64.3	20%	0.2	32%	0.319	C	S	.	.	H	α-helix	trans	-70.8	-40.4	170.6	167.7	0	0	0	0	111.6	L960 A961 L964 D1019 A1020 I1021 P1026	L960-V1023 HydrophobicContact CD2-CG2 4.27Å; L960-V1023 HydrophobicContact CG-CG2 4.43Å; A961-V1023 HydrophobicContact CB-CG1 4.16Å; L964-V1023 HydrophobicContact CB-CG1 4.31Å; L964-V1023 HydrophobicContact CD1-CB 4.03Å; L964-V1023 HydrophobicContact CD1-CG1 3.84Å; D1019-V1023 WeakPolarHBondContact O-CG2 3.27Å; D1019-V1023 PolarHBondContact O-N 3.03Å; A1020-V1023 PolarHBondContact O-N 3.4Å; I1021-V1023 VanDerWaalsContact C-N 3.35Å; I1021-V1023 PolarHBondContact O-N 2.79Å; V1023-P1026 WeakPolarHBondContact O-CD 3.31Å
1024	L	71.3	Confident	63.5	Low	10 Å²	10	69.5 Å²	69.5	5%	0.052	35%	0.346	C	S	.	.	H	α-helix	trans	-77.3	-28.4	-178.1	-66.1	166.7	0	0	0	113.3	L964 L985 A1020 I1021 E1027 L1028	L964-L1024 HydrophobicContact CD1-CG 4.43Å; L985-L1024 HydrophobicContact CD1-CD1 3.81Å; A1020-L1024 WeakPolarHBondContact O-CG 3.49Å; A1020-L1024 PolarHBondContact O-N 2.83Å; I1021-L1024 PolarHBondContact O-N 2.92Å; L1024-E1027 PolarHBondContact O-N 3.45Å; L1024-L1028 HydrophobicContact CB-CD1 4.06Å; L1024-L1028 WeakPolarHBondContact O-CB 3.46Å; L1024-L1028 WeakPolarHBondContact O-CG 3.47Å; L1024-L1028 PolarHBondContact O-N 2.89Å
1025	L	65.9	Low	61	Low	104 Å²	104	66.5 Å²	66.5	55%	0.545	35%	0.345	S	S	.	.	H	α-helix	trans	-57.3	-46.2	-173.1	-132.6	84.4	0	0	0	115.5	I1021 E1027 K1029	I1021-L1025 HydrophobicContact CG2-CD1 3.75Å; I1021-L1025 WeakPolarHBondContact O-CB 3.05Å; I1021-L1025 PolarHBondContact O-N 2.9Å; L1025-E1027 PolarHBondContact O-N 3Å; L1025-K1029 WeakPolarHBondContact O-CB 3.49Å; L1025-K1029 PolarHBondContact O-N 3.21Å
1026	P	57.5	Low	58.6	Low	79 Å²	79	69.9 Å²	69.9	51%	0.513	36%	0.359	S	S	.	.	H	α-helix	trans	-61.7	-31.5	-178.7	-24	35.1	0	0	0	112.9	T1022 V1023 L1030	T1022-P1026 VanDerWaalsContact O-CD 3.29Å; T1022-P1026 WeakPolarHBondContact O-CD 3.32Å; V1023-P1026 WeakPolarHBondContact O-CD 3.31Å; P1026-L1030 PolarHBondContact O-N 2.97Å
1027	E	52.5	Low	56.1	Low	56 Å²	56	77.5 Å²	77.5	26%	0.262	39%	0.394	S	S	.	.	H	α-helix	trans	-93.3	-30.7	-174.9	-53.5	-166.5	134.3	0	0	112.4	L965 R968 L1024 L1025 K1029 L1030 H1031	L965-E1027 WeakPolarHBondContact CD2-OE2 3.31Å; R968-E1027 IonicContact CZ-OE2 3.07Å; R968-E1027 IonicContact NH1-OE1 3.36Å; R968-E1027 PolarHBondContact NH1-OE1 2.89Å; R968-E1027 IonicContact NH1-OE2 2.65Å; R968-E1027 PolarHBondContact NH1-OE2 3.37Å; L1024-E1027 PolarHBondContact O-N 3.45Å; L1025-E1027 PolarHBondContact O-N 3Å; E1027-K1029 PolarHBondContact O-N 3.08Å; E1027-L1030 WeakPolarHBondContact O-CB 3.4Å; E1027-L1030 PolarHBondContact O-N 3.16Å; E1027-H1031 PolarHBondContact O-N 3.24Å
1028	L	46.3	Very low	53.7	Low	48 Å²	48	82.2 Å²	82.2	25%	0.251	42%	0.422	S	S	.	.	H	α-helix	trans	-58.9	-37.3	162.6	-78.6	166.3	0	0	0	111.1	L978 L1024 H1031 L1032	L978-L1028 HydrophobicContact CB-CD2 4.28Å; L978-L1028 HydrophobicContact CD2-CD2 3.93Å; L978-L1028 HydrophobicContact CD2-CG 4.24Å; L1024-L1028 HydrophobicContact CB-CD1 4.06Å; L1024-L1028 WeakPolarHBondContact O-CB 3.46Å; L1024-L1028 WeakPolarHBondContact O-CG 3.47Å; L1024-L1028 PolarHBondContact O-N 2.89Å; L1028-H1031 PolarHBondContact O-N 3.41Å; L1028-L1032 WeakPolarHBondContact O-CB 3.47Å; L1028-L1032 WeakPolarHBondContact O-CG 3.44Å; L1028-L1032 PolarHBondContact O-N 3.2Å
1029	K	42.4	Very low	51.1	Low	138 Å²	138	86.4 Å²	86.4	60%	0.6	44%	0.442	S	S	*	.	H	α-helix	trans	-65.1	-38.3	174.8	-163.9	176.8	-176.3	-178.7	0	112.4	L1025 E1027 L1032 Q1033	L1025-K1029 WeakPolarHBondContact O-CB 3.49Å; L1025-K1029 PolarHBondContact O-N 3.21Å; E1027-K1029 PolarHBondContact O-N 3.08Å; K1029-L1032 PolarHBondContact O-N 2.91Å; K1029-Q1033 WeakPolarHBondContact O-CG 3.41Å; K1029-Q1033 PolarHBondContact O-N 2.95Å
1030	L	42	Very low	48.5	Very low	104 Å²	104	93 Å²	93	55%	0.545	48%	0.478	S	S	.	.	H	α-helix	trans	-66.1	-40.1	172.5	-85.7	161	0	0	0	112.6	P1026 E1027 Q1033 L1034	P1026-L1030 PolarHBondContact O-N 2.97Å; E1027-L1030 WeakPolarHBondContact O-CB 3.4Å; E1027-L1030 PolarHBondContact O-N 3.16Å; L1030-Q1033 PolarHBondContact O-N 2.89Å; L1030-L1034 PolarHBondContact O-N 3.49Å
1031	H	39.8	Very low	45.9	Very low	87 Å²	87	98.1 Å²	98.1	40%	0.403	51%	0.513	S	S	.	.	H	α-helix	trans	-66.9	-40.9	174.4	-104	87.2	0	0	0	112.6	E1027 L1028 Q1033 L1034 S1035	E1027-H1031 PolarHBondContact O-N 3.24Å; L1028-H1031 PolarHBondContact O-N 3.41Å; H1031-Q1033 VanDerWaalsContact C-N 3.28Å; H1031-Q1033 PolarHBondContact O-N 3.07Å; H1031-L1034 PolarHBondContact O-N 3Å; H1031-S1035 PolarHBondContact O-N 3.43Å; H1031-S1035 PolarHBondContact O-OG 3.03Å
1032	L	33.8	Very low	43.8	Very low	98 Å²	98	103 Å²	103	51%	0.513	54%	0.538	S	S	.	.	H	α-helix	trans	-59.3	-39	172.7	-77.6	164.5	0	0	0	111.8	L1028 K1029 L1034 S1035 F1036	L1028-L1032 WeakPolarHBondContact O-CB 3.47Å; L1028-L1032 WeakPolarHBondContact O-CG 3.44Å; L1028-L1032 PolarHBondContact O-N 3.2Å; K1029-L1032 PolarHBondContact O-N 2.91Å; L1032-L1034 PolarHBondContact O-N 3Å; L1032-S1035 WeakPolarHBondContact CA-OG 3.38Å; L1032-S1035 PolarHBondContact O-N 3.1Å; L1032-S1035 PolarHBondContact O-OG 2.97Å; L1032-F1036 WeakPolarHBondContact O-CD2 3.44Å; L1032-F1036 PolarHBondContact O-N 2.98Å
1033	Q	34	Very low	41.6	Very low	131 Å²	131	105.5 Å²	105.5	61%	0.612	56%	0.556	S	S	*	*	H	α-helix	trans	-68	-17.7	174.7	-73.7	-177.1	-94.3	0	0	114.3	K1029 L1030 H1031	K1029-Q1033 WeakPolarHBondContact O-CG 3.41Å; K1029-Q1033 PolarHBondContact O-N 2.95Å; L1030-Q1033 PolarHBondContact O-N 2.89Å; H1031-Q1033 VanDerWaalsContact C-N 3.28Å; H1031-Q1033 PolarHBondContact O-N 3.07Å
1034	L	32.9	Very low	39.2	Very low	110 Å²	110	112.3 Å²	112.3	58%	0.576	59%	0.585	S	S	*	*	H	α-helix	trans	-95.6	-32	175	-74.4	162.7	0	0	0	112.5	L1030 H1031 L1032 F1036 E1037	L1030-L1034 PolarHBondContact O-N 3.49Å; H1031-L1034 PolarHBondContact O-N 3Å; L1032-L1034 PolarHBondContact O-N 3Å; L1034-F1036 VanDerWaalsContact C-N 3.27Å; L1034-F1036 PolarHBondContact O-N 3.32Å; L1034-E1037 PolarHBondContact O-N 2.66Å
1035	S	31.8	Very low	37	Very low	69 Å²	69	119.4 Å²	119.4	48%	0.483	62%	0.618	S	S	.	*	H	α-helix	trans	-76.2	-9.9	177.2	60.9	0	0	0	0	114.1	H1031 L1032 E1037	H1031-S1035 PolarHBondContact O-N 3.43Å; H1031-S1035 PolarHBondContact O-OG 3.03Å; L1032-S1035 WeakPolarHBondContact CA-OG 3.38Å; L1032-S1035 PolarHBondContact O-N 3.1Å; L1032-S1035 PolarHBondContact O-OG 2.97Å; S1035-E1037 VanDerWaalsContact C-N 3.28Å
1036	F	31.6	Very low	35.1	Very low	173 Å²	173	121.8 Å²	121.8	76%	0.759	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	1.1	170.9	-80.6	-58.3	0	0	0	114.2	L1032 L1034	L1032-F1036 WeakPolarHBondContact O-CD2 3.44Å; L1032-F1036 PolarHBondContact O-N 2.98Å; L1034-F1036 VanDerWaalsContact C-N 3.27Å; L1034-F1036 PolarHBondContact O-N 3.32Å
1037	E	31.7	Very low	33.5	Very low	163 Å²	163	124 Å²	124	76%	0.762	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-4.6	173.5	-63.9	-162.5	141.4	0	0	114	L1034 S1035	L1034-E1037 PolarHBondContact O-N 2.66Å; S1035-E1037 VanDerWaalsContact C-N 3.28Å
1038	T	35.3	Very low	32.2	Very low	114 Å²	114	127.1 Å²	127.1	70%	0.699	67%	0.666	S	S	*	*	S	Bend	trans	-143	67.5	-179.6	59.2	0	0	0	0	114.3
1039	E	27.8	Very low	31.4	Very low	186 Å²	186	131.7 Å²	131.7	87%	0.869	69%	0.691	S	S	*	*			trans	-178.2	101.4	136.8	-106.4	176.1	-157.9	0	0	110
1040	D	26.9	Very low	30.7	Very low	149 Å²	149	130.9 Å²	130.9	80%	0.797	70%	0.7	S	S	*	*			trans	-148.4	68.4	169.6	-148.1	-5.1	0	0	0	110
1041	S	28	Very low	29.8	Very low	107 Å²	107	133.3 Å²	133.3	75%	0.748	71%	0.713	S	S	*	*			trans	-137.2	71.3	176.6	62.7	0	0	0	0	110.3
1042	I	35.7	Very low	29.2	Very low	138 Å²	138	135.4 Å²	135.4	71%	0.708	73%	0.732	S	S	*	*			trans	-70.7	140.4	-179	-55.5	162.9	0	0	0	110.5
1043	P	30.3	Very low	29.1	Very low	119 Å²	119	136.1 Å²	136.1	77%	0.773	74%	0.743	S	S	*	*				-124.6	158.2	127.2	0.7	20.5	0	0	0	113
1044	E	25.8	Very low	28.7	Very low	176 Å²	176	136.6 Å²	136.6	82%	0.822	75%	0.754	S	S	*	*			trans	-74.8	150.8	172	-56.8	169.1	121.8	0	0	110.7
1045	E	25.1	Very low	28.4	Very low	158 Å²	158	137.9 Å²	137.9	74%	0.738	77%	0.767	S	S	*	*				176.6	136.2	103	-88.8	-156.8	128	0	0	115
1046	Q	25.1	Very low	27.9	Very low	154 Å²	154	142.1 Å²	142.1	72%	0.72	78%	0.783	S	S	*	*			trans	24	128.1	136.6	-48.5	-175.8	53.2	0	0	121.3
1047	S	24.2	Very low	27.6	Very low	125 Å²	125	140.2 Å²	140.2	87%	0.874	79%	0.785	S	S	*	*			trans	-119.2	132.4	147.5	62.6	0	0	0	0	109.3
1048	V	25.8	Very low	28	Very low	122 Å²	122	137 Å²	137	74%	0.739	78%	0.779	S	S	*	*			trans	-116.8	146.2	-175.2	178.9	0	0	0	0	112.2
1049	D	28.7	Very low	27.4	Very low	144 Å²	144	138.9 Å²	138.9	77%	0.77	79%	0.785	S	S	*	*			trans	-48.3	157.6	-179.9	-78.2	-50.5	0	0	0	117.2
1050	P	28.2	Very low	27.5	Very low	121 Å²	121	139.3 Å²	139.3	79%	0.786	79%	0.786	S	S	*	*	S	Bend	trans	-107.3	71.8	155.2	38.8	-28.3	0	0	0	112.7
1051	D	24.3	Very low	27.6	Very low	155 Å²	155	137.5 Å²	137.5	83%	0.829	78%	0.783	S	S	*	*			trans	-159.8	142.1	149	-111	-24.1	0	0	0	112
1052	T	25.6	Very low	27.3	Very low	131 Å²	131	141 Å²	141	80%	0.804	79%	0.79	S	S	*	*			trans	-150.1	176.3	-167.3	15.9	0	0	0	0	111.2
1053	P	31.7	Very low	26.8	Very low	113 Å²	113	138.9 Å²	138.9	73%	0.734	79%	0.793	S	S	*	*			cis	-134.3	157.6	-16.2	34.2	-17.5	0	0	0	114.8
1054	V	26.7	Very low	27.2	Very low	141 Å²	141	138.2 Å²	138.2	86%	0.855	79%	0.788	S	S	*	*			trans	-141.6	104.6	158.3	-173.9	0	0	0	0	113.7
1055	V	25.3	Very low	27.3	Very low	137 Å²	137	137 Å²	137	83%	0.83	79%	0.786	S	S	*	*			trans	35.5	125.7	139.3	-172.2	0	0	0	0	121.2
1056	L	23.3	Very low	27.4	Very low	158 Å²	158	135.9 Å²	135.9	83%	0.827	79%	0.785	S	S	*	*			trans	-94.3	-167.5	173.3	-94.9	166	0	0	0	113.8
1057	V	25.4	Very low	27.4	Very low	133 Å²	133	134.8 Å²	134.8	81%	0.806	78%	0.784	S	S	*	*			trans	94.4	133.8	156	-173.5	0	0	0	0	113.4
1058	P	39	Very low	27.5	Very low	97 Å²	97	136.1 Å²	136.1	63%	0.63	78%	0.777	S	S	*	*			cis	-133.6	149.7	28.9	40	-23.1	0	0	0	119.1
1059	N	22.7	Very low	27.4	Very low	153 Å²	153	138 Å²	138	82%	0.818	78%	0.777	S	S	*	*				169.5	106.8	101.1	-92.2	-46.5	0	0	0	113.9
1060	Q	29.2	Very low	27.1	Very low	194 Å²	194	135.5 Å²	135.5	91%	0.907	78%	0.777	S	S	*	*			trans	-169.5	146.7	140.1	-108.5	175.3	30.6	0	0	110
1061	P	29.2	Very low	26.8	Very low	112 Å²	112	137.9 Å²	137.9	73%	0.727	78%	0.778	S	S	*	*			trans	-96.1	138.2	-172.7	34.9	-33.1	0	0	0	115.2
1062	M	23.1	Very low	26.7	Very low	180 Å²	180	136.1 Å²	136.1	89%	0.887	77%	0.772	S	S	*	*			trans	59.4	104.9	155.2	-57.3	-171.3	-174.7	0	0	119.7
1063	A	25	Very low	26.6	Very low	94 Å²	94	140.7 Å²	140.7	78%	0.777	78%	0.775	S	S	*	*				39.4	163	90.6	0	0	0	0	0	119.2
1064	P	39.1	Very low	26.3	Very low	104 Å²	104	142 Å²	142	68%	0.675	78%	0.776	S	S	*	*			cis	-140.6	161.9	6.2	36.1	-15.4	0	0	0	117.9
1065	I	27.4	Very low	26.1	Very low	152 Å²	152	143.2 Å²	143.2	78%	0.779	77%	0.772	S	S	*	*			trans	64.7	145.1	136.3	-66.5	169.8	0	0	0	117.8
1066	D	27.5	Very low	26	Very low	134 Å²	134	144.1 Å²	144.1	72%	0.717	77%	0.772	S	S	*	*			cis	-141.2	-177	22.7	-141.8	-31.2	0	0	0	115.1
1067	N	25.1	Very low	26.1	Very low	130 Å²	130	139.9 Å²	139.9	70%	0.695	77%	0.766	S	S	*	*			trans	-78.2	162.3	178.3	-60.2	-94.6	0	0	0	113.5
1068	Q	25.1	Very low	25.9	Very low	154 Å²	154	140.2 Å²	140.2	72%	0.72	77%	0.769	S	S	*	*				153.5	140.7	89.1	-143.1	161.1	104	0	0	114.1
1069	Q	23.3	Very low	25.6	Very low	160 Å²	160	140.9 Å²	140.9	75%	0.748	78%	0.783	S	S	*	*			trans	52.4	105.4	151.9	-78.3	164	18.2	0	0	122.4
1070	A	22.5	Very low	25.7	Very low	92 Å²	92	137.9 Å²	137.9	76%	0.76	78%	0.779	S	S	*	*				72	147.7	103.2	0	0	0	0	0	123.5
1071	E	22.5	Very low	25.6	Very low	172 Å²	172	140.2 Å²	140.2	80%	0.804	78%	0.78	S	S	*	*			trans	75.7	107.2	150.6	-78.5	-173.4	-160.6	0	0	123.1
1072	T	22.3	Very low	25.6	Very low	117 Å²	117	143.3 Å²	143.3	72%	0.718	79%	0.789	S	S	*	*				95.5	135	128	65.5	0	0	0	0	121.8
1073	R	23	Very low	25.7	Very low	228 Å²	228	137.7 Å²	137.7	86%	0.86	78%	0.778	S	S	*	*			trans	71.7	134.8	149.5	-79.5	175.1	166.6	159.3	-3.6	120.3
1074	N	25.4	Very low	26.4	Very low	141 Å²	141	139.3 Å²	139.3	75%	0.754	78%	0.78	S	S	*	*			trans	0.6	142.4	133.9	-42.7	5.1	0	0	0	115.3
1075	E	23.7	Very low	26.3	Very low	166 Å²	166	140.2 Å²	140.2	78%	0.776	79%	0.786	S	S	*	*				-152.6	167.2	50	-75.7	-176.2	165.8	0	0	115.2
1076	N	23.4	Very low	26.4	Very low	156 Å²	156	140.9 Å²	140.9	83%	0.834	79%	0.791	S	S	*	*			trans	12.5	115.5	148.5	-55.3	-41.6	0	0	0	118.6
1077	G	23.7	Very low	27.1	Very low	68 Å²	68	143.7 Å²	143.7	70%	0.701	80%	0.8	S	S	*	*			trans	-149.2	51.4	-176.5	0	0	0	0	0	117.2
1078	T	22.8	Very low	27.3	Very low	140 Å²	140	144 Å²	144	86%	0.859	81%	0.806	S	S	*	*			trans	41.4	106.2	161	44.6	0	0	0	0	119.5
1079	A	31.8	Very low	27.9	Very low	111 Å²	111	144 Å²	144	92%	0.917	81%	0.81	S	S	*	*			trans	-67.2	138.1	158.2	0	0	0	0	0	111.9
1080	A	25.3	Very low	28.9	Very low	90 Å²	90	145.6 Å²	145.6	74%	0.744	82%	0.815	S	S	*	*			trans	-154.9	141.8	168.7	0	0	0	0	0	110
1081	R	26.2	Very low	29.5	Very low	244 Å²	244	147.3 Å²	147.3	92%	0.921	81%	0.811	S	S	*	*			cis	-150.7	135.8	-8.6	-121	176.5	-171.9	173.9	2.3	110.2
1082	L	29.9	Very low	30.3	Very low	176 Å²	176	150.2 Å²	150.2	92%	0.921	82%	0.815	S	S	*	*			trans	-65.4	146.7	172.5	-76.8	146.4	0	0	0	112.7
1083	G	23.8	Very low	31.3	Very low	63 Å²	63	151.2 Å²	151.2	65%	0.649	82%	0.816	S	S	*	*			trans	-127.3	146.6	150.6	0	0	0	0	0	108.6
1084	P	41.5	Very low	32.5	Very low	128 Å²	128	142.6 Å²	142.6	83%	0.831	79%	0.79	S	S	*	*			trans	-100.2	-173.9	-169.1	46.7	-40.5	0	0	0	110.9
1085	P	36.7	Very low	33.7	Very low	123 Å²	123	140.7 Å²	140.7	80%	0.799	78%	0.784	S	S	*	*				-110.2	130.6	-125.1	30.9	-11.7	0	0	0	114.8
1086	D	29	Very low	34.9	Very low	165 Å²	165	139.1 Å²	139.1	88%	0.882	78%	0.78	S	S	*	*			trans	-77.2	143.2	177.7	-76.6	-42.3	0	0	0	113.8
1087	E	41.5	Very low	36.2	Very low	194 Å²	194	134.5 Å²	134.5	91%	0.907	76%	0.76	S	S	*	*			trans	-79.7	120	172.5	-58.8	177.6	116.9	0	0	111.3
1088	V	30.7	Very low	37.9	Very low	135 Å²	135	135.8 Å²	135.8	82%	0.818	75%	0.748	S	S	*	*			trans	-140.3	119	157.3	-171.8	0	0	0	0	110.2
1089	L	37.4	Very low	39.6	Very low	154 Å²	154	136.3 Å²	136.3	81%	0.806	74%	0.738	S	S	*	*			trans	-99.6	130.6	175.2	-84.6	164.1	0	0	0	111.1
1090	F	43.9	Very low	40.9	Very low	194 Å²	194	135.1 Å²	135.1	85%	0.851	72%	0.716	S	S	*	*			trans	47.7	92	161.6	-72.7	-87.3	0	0	0	118.9
1091	D	36	Very low	42.9	Very low	128 Å²	128	136.7 Å²	136.7	68%	0.684	71%	0.706	S	S	*	*			trans	-148.3	103.8	133.1	-163.1	1	0	0	0	112.8	C1094	D1091-C1094 WeakPolarHBondContact OD1-CB 3.45Å
1092	R	39.2	Very low	45.2	Very low	233 Å²	233	130 Å²	130	88%	0.879	69%	0.688	S	S	*	*			trans	-150.8	-1.4	170.2	-131.4	177.5	-175.9	-166.6	-0.7	115.6	C1094	R1092-C1094 VanDerWaalsContact C-N 3.33Å
1093	N	41.9	Very low	46.8	Very low	139 Å²	139	127.7 Å²	127.7	74%	0.743	67%	0.674	S	S	*	*	S	Bend	trans	-83.8	-9.2	172.9	-76.1	-9.9	0	0	0	112.7	S1097	N1093-S1097 WeakPolarHBondContact O-CB 3.2Å; N1093-S1097 PolarHBondContact O-N 2.94Å; N1093-S1097 VanDerWaalsContact O-N 3.15Å
1094	C	48.1	Very low	48.9	Very low	47 Å²	47	132.5 Å²	132.5	32%	0.318	67%	0.673	S	S	.	*	H	α-helix	trans	-64.7	-50.7	-168.7	-151.4	0	0	0	0	113.2	D1091 R1092 L1096 S1097 E1098	D1091-C1094 WeakPolarHBondContact OD1-CB 3.45Å; R1092-C1094 VanDerWaalsContact C-N 3.33Å; C1094-L1096 VanDerWaalsContact C-N 3.34Å; C1094-L1096 PolarHBondContact O-N 2.94Å; C1094-S1097 CarbonylContact O-C 3.54Å; C1094-S1097 WeakPolarHBondContact O-CA 3.42Å; C1094-S1097 VanDerWaalsContact O-CB 3.32Å; C1094-S1097 WeakPolarHBondContact O-CB 3.22Å; C1094-S1097 PolarHBondContact O-N 2.9Å; C1094-E1098 WeakPolarHBondContact O-CG 3.45Å; C1094-E1098 PolarHBondContact O-N 2.8Å
1095	T	50.3	Low	50.8	Low	100 Å²	100	130.3 Å²	130.3	61%	0.613	66%	0.657	S	S	*	*	H	α-helix	trans	-64.2	-32.5	-172.9	55.5	0	0	0	0	114.5	K1099	T1095-K1099 PolarHBondContact O-N 2.94Å; T1095-K1099 VanDerWaalsContact O-N 3.16Å
1096	L	49.4	Very low	52.7	Low	133 Å²	133	128.1 Å²	128.1	70%	0.696	64%	0.636	S	S	*	*	H	α-helix	trans	-76	-38.2	171.4	-98	164.3	0	0	0	111.5	C1094 E1098 K1099 L1100	C1094-L1096 VanDerWaalsContact C-N 3.34Å; C1094-L1096 PolarHBondContact O-N 2.94Å; L1096-E1098 VanDerWaalsContact C-N 3.3Å; L1096-E1098 PolarHBondContact O-N 2.84Å; L1096-K1099 PolarHBondContact O-N 2.87Å; L1096-L1100 WeakPolarHBondContact O-CB 3.41Å; L1096-L1100 PolarHBondContact O-N 3.35Å
1097	S	51	Low	54.7	Low	60 Å²	60	124.6 Å²	124.6	42%	0.42	62%	0.621	S	S	.	*	H	α-helix	trans	-62.5	-36.7	173.1	-165.6	0	0	0	0	112.4	N1093 C1094 L1100 K1101	N1093-S1097 WeakPolarHBondContact O-CB 3.2Å; N1093-S1097 PolarHBondContact O-N 2.94Å; N1093-S1097 VanDerWaalsContact O-N 3.15Å; C1094-S1097 CarbonylContact O-C 3.54Å; C1094-S1097 WeakPolarHBondContact O-CA 3.42Å; C1094-S1097 VanDerWaalsContact O-CB 3.32Å; C1094-S1097 WeakPolarHBondContact O-CB 3.22Å; C1094-S1097 PolarHBondContact O-N 2.9Å; S1097-L1100 PolarHBondContact O-N 2.99Å; S1097-K1101 WeakPolarHBondContact O-CG 3.25Å; S1097-K1101 PolarHBondContact O-N 3.21Å
1098	E	60	Low	56.3	Low	95 Å²	95	122.4 Å²	122.4	44%	0.444	60%	0.604	S	S	.	*	H	α-helix	trans	-66.9	-52.9	174.6	-72.8	176	142.1	0	0	111.1	C1094 L1096 L1100 K1101 D1102	C1094-E1098 WeakPolarHBondContact O-CG 3.45Å; C1094-E1098 PolarHBondContact O-N 2.8Å; L1096-E1098 VanDerWaalsContact C-N 3.3Å; L1096-E1098 PolarHBondContact O-N 2.84Å; E1098-L1100 PolarHBondContact O-N 2.79Å; E1098-L1100 VanDerWaalsContact O-N 3.14Å; E1098-K1101 CarbonylContact O-C 3.52Å; E1098-K1101 WeakPolarHBondContact O-CA 3.17Å; E1098-K1101 WeakPolarHBondContact O-CB 3.45Å; E1098-K1101 PolarHBondContact O-N 2.81Å; E1098-D1102 VanDerWaalsContact O-CG 3.31Å; E1098-D1102 PolarHBondContact O-N 2.82Å
1099	K	58.2	Low	59.1	Low	151 Å²	151	120.9 Å²	120.9	66%	0.657	58%	0.584	S	S	*	*	H	α-helix	trans	-55.8	-34.8	173.7	-78.9	-177.3	173.4	179.8	0	113.2	T1095 L1096 D1102 M1103	T1095-K1099 PolarHBondContact O-N 2.94Å; T1095-K1099 VanDerWaalsContact O-N 3.16Å; L1096-K1099 PolarHBondContact O-N 2.87Å; K1099-D1102 PolarHBondContact O-N 2.91Å; K1099-M1103 WeakPolarHBondContact O-CG 3.47Å; K1099-M1103 PolarHBondContact O-N 2.92Å
1100	L	59.8	Low	60.8	Low	85 Å²	85	117.8 Å²	117.8	45%	0.445	57%	0.567	S	S	.	*	H	α-helix	trans	-76.9	-29.7	176.9	-136.8	166.2	0	0	0	112.2	L1096 S1097 E1098 R1104	L1096-L1100 WeakPolarHBondContact O-CB 3.41Å; L1096-L1100 PolarHBondContact O-N 3.35Å; S1097-L1100 PolarHBondContact O-N 2.99Å; E1098-L1100 PolarHBondContact O-N 2.79Å; E1098-L1100 VanDerWaalsContact O-N 3.14Å; L1100-R1104 HydrophobicContact CD2-CG 4.24Å; L1100-R1104 VanDerWaalsContact CD2-NE 3.31Å; L1100-R1104 VanDerWaalsContact O-CB 3.32Å; L1100-R1104 WeakPolarHBondContact O-CB 3.43Å; L1100-R1104 WeakPolarHBondContact O-CD 3.47Å; L1100-R1104 WeakPolarHBondContact O-CG 3.48Å; L1100-R1104 PolarHBondContact O-N 2.68Å
1101	K	66.8	Low	62.2	Low	124 Å²	124	113.1 Å²	113.1	54%	0.539	55%	0.551	S	S	.	*	H	α-helix	trans	-66	-46	166	-77.4	170	-177	169.5	0	110.8	S1097 E1098 R1104 V1105	S1097-K1101 WeakPolarHBondContact O-CG 3.25Å; S1097-K1101 PolarHBondContact O-N 3.21Å; E1098-K1101 CarbonylContact O-C 3.52Å; E1098-K1101 WeakPolarHBondContact O-CA 3.17Å; E1098-K1101 WeakPolarHBondContact O-CB 3.45Å; E1098-K1101 PolarHBondContact O-N 2.81Å; K1101-R1104 CarbonylContact O-C 3.5Å; K1101-R1104 WeakPolarHBondContact O-CA 3.39Å; K1101-R1104 WeakPolarHBondContact O-CB 3.28Å; K1101-R1104 PolarHBondContact O-N 3.49Å; K1101-V1105 WeakPolarHBondContact O-CG2 3.5Å; K1101-V1105 PolarHBondContact O-N 3.12Å
1102	D	73.7	Confident	64.2	Low	103 Å²	103	112 Å²	112	55%	0.551	55%	0.545	S	S	*	.	H	α-helix	trans	-63.4	-48.3	-177.9	-66.4	-20	0	0	0	111.1	E1098 K1099 R1104 V1105 E1106	E1098-D1102 VanDerWaalsContact O-CG 3.31Å; E1098-D1102 PolarHBondContact O-N 2.82Å; K1099-D1102 PolarHBondContact O-N 2.91Å; D1102-R1104 PolarHBondContact O-N 3.02Å; D1102-V1105 CarbonylContact O-C 3.6Å; D1102-V1105 WeakPolarHBondContact O-CA 3.26Å; D1102-V1105 WeakPolarHBondContact O-CB 3.44Å; D1102-V1105 PolarHBondContact O-N 2.94Å; D1102-E1106 PolarHBondContact O-N 2.89Å
1103	M	63.6	Low	66.2	Low	128 Å²	128	104.8 Å²	104.8	63%	0.631	52%	0.521	S	S	*	.	H	α-helix	trans	-60.7	-33.7	172.3	-69.7	-151.9	-55.1	0	0	112.3	K1099 V1105 T1107	K1099-M1103 WeakPolarHBondContact O-CG 3.47Å; K1099-M1103 PolarHBondContact O-N 2.92Å; M1103-V1105 VanDerWaalsContact C-N 3.34Å; M1103-T1107 VanDerWaalsContact O-CB 3.28Å; M1103-T1107 WeakPolarHBondContact O-CB 3.39Å; M1103-T1107 PolarHBondContact O-N 3.12Å; M1103-T1107 PolarHBondContact O-OG1 3.41Å
1104	R	69.1	Low	67.4	Low	163 Å²	163	103.8 Å²	103.8	62%	0.615	52%	0.515	S	S	*	.	H	α-helix	trans	-74.5	-19.8	173.4	-75.4	172.6	177.3	-175.4	2.2	113.5	L1100 K1101 D1102 R1108	L1100-R1104 HydrophobicContact CD2-CG 4.24Å; L1100-R1104 VanDerWaalsContact CD2-NE 3.31Å; L1100-R1104 VanDerWaalsContact O-CB 3.32Å; L1100-R1104 WeakPolarHBondContact O-CB 3.43Å; L1100-R1104 WeakPolarHBondContact O-CD 3.47Å; L1100-R1104 WeakPolarHBondContact O-CG 3.48Å; L1100-R1104 PolarHBondContact O-N 2.68Å; K1101-R1104 CarbonylContact O-C 3.5Å; K1101-R1104 WeakPolarHBondContact O-CA 3.39Å; K1101-R1104 WeakPolarHBondContact O-CB 3.28Å; K1101-R1104 PolarHBondContact O-N 3.49Å; D1102-R1104 PolarHBondContact O-N 3.02Å; R1104-R1108 PolarHBondContact O-NE 3.17Å; R1104-R1108 PolarHBondContact O-NH2 3.43Å; R1104-R1108 VanDerWaalsContact O-NH2 3.15Å
1105	V	81.2	Confident	68.7	Low	82 Å²	82	104.3 Å²	104.3	50%	0.497	52%	0.517	S	S	.	.	H	α-helix	trans	-79.7	-49	169.9	169	0	0	0	0	108.8	K1101 D1102 M1103 T1107 R1108 R1109	K1101-V1105 WeakPolarHBondContact O-CG2 3.5Å; K1101-V1105 PolarHBondContact O-N 3.12Å; D1102-V1105 CarbonylContact O-C 3.6Å; D1102-V1105 WeakPolarHBondContact O-CA 3.26Å; D1102-V1105 WeakPolarHBondContact O-CB 3.44Å; D1102-V1105 PolarHBondContact O-N 2.94Å; M1103-V1105 VanDerWaalsContact C-N 3.34Å; V1105-T1107 PolarHBondContact O-N 3.22Å; V1105-R1108 CarbonylContact O-C 3.5Å; V1105-R1108 WeakPolarHBondContact O-CA 3.28Å; V1105-R1108 WeakPolarHBondContact O-CB 3.26Å; V1105-R1108 PolarHBondContact O-N 3.19Å; V1105-R1109 PolarHBondContact O-N 2.93Å
1106	E	75.3	Confident	70.2	Confident	77 Å²	77	105.3 Å²	105.3	36%	0.36	52%	0.515	S	S	.	.	H	α-helix	trans	-62.8	-40.7	179.3	-172.7	55.5	-154.2	0	0	112.5	D1102 R1108 R1109 L1110	D1102-E1106 PolarHBondContact O-N 2.89Å; E1106-R1108 PolarHBondContact O-N 3.28Å; E1106-R1109 WeakPolarHBondContact O-CB 3.45Å; E1106-R1109 PolarHBondContact O-N 3.04Å; E1106-R1109 IonicContact OE1-CZ 2.62Å; E1106-R1109 VanDerWaalsContact OE1-CZ 3.24Å; E1106-R1109 IonicContact OE1-NE 3.24Å; E1106-R1109 PolarHBondContact OE1-NE 3.38Å; E1106-R1109 IonicContact OE1-NH2 2.69Å; E1106-R1109 PolarHBondContact OE1-NH2 2.74Å; E1106-R1109 WeakPolarHBondContact OE2-CD 3.46Å; E1106-R1109 IonicContact OE2-CZ 3.02Å; E1106-R1109 IonicContact OE2-NE 2.6Å; E1106-R1109 PolarHBondContact OE2-NE 2.91Å; E1106-L1110 HydrophobicContact CG-CD1 4.15Å; E1106-L1110 WeakPolarHBondContact O-CB 3.25Å; E1106-L1110 WeakPolarHBondContact O-CG 3.45Å; E1106-L1110 PolarHBondContact O-N 3.49Å
1107	T	71.2	Confident	71.6	Confident	91 Å²	91	103.7 Å²	103.7	56%	0.558	50%	0.502	S	S	*	.	H	α-helix	trans	-59.1	-34.9	172.5	-55	0	0	0	0	112	M1103 V1105 L1111	M1103-T1107 VanDerWaalsContact O-CB 3.28Å; M1103-T1107 WeakPolarHBondContact O-CB 3.39Å; M1103-T1107 PolarHBondContact O-N 3.12Å; M1103-T1107 PolarHBondContact O-OG1 3.41Å; V1105-T1107 PolarHBondContact O-N 3.22Å; T1107-L1111 VanDerWaalsContact O-CB 3.31Å; T1107-L1111 WeakPolarHBondContact O-CB 3.41Å; T1107-L1111 PolarHBondContact O-N 2.92Å
1108	R	74.6	Confident	72.8	Confident	148 Å²	148	105.9 Å²	105.9	56%	0.558	51%	0.506	S	S	*	.	H	α-helix	trans	-78.2	-31.4	174.5	-80.7	176.7	-70	164.3	4.1	112.5	R1104 V1105 E1106 N1112	R1104-R1108 PolarHBondContact O-NE 3.17Å; R1104-R1108 PolarHBondContact O-NH2 3.43Å; R1104-R1108 VanDerWaalsContact O-NH2 3.15Å; V1105-R1108 CarbonylContact O-C 3.5Å; V1105-R1108 WeakPolarHBondContact O-CA 3.28Å; V1105-R1108 WeakPolarHBondContact O-CB 3.26Å; V1105-R1108 PolarHBondContact O-N 3.19Å; E1106-R1108 PolarHBondContact O-N 3.28Å; R1108-N1112 WeakPolarHBondContact O-CB 3.35Å; R1108-N1112 PolarHBondContact O-N 3.31Å; R1108-N1112 PolarHBondContact O-OD1 2.86Å
1109	R	90.4	Very high	73.5	Confident	103 Å²	103	108.5 Å²	108.5	39%	0.389	51%	0.511	S	S	.	.	H	α-helix	trans	-61.8	-50.6	172.4	-160.1	-168.9	70.6	64.3	22	110.2	V1105 E1106 N1112 E1113	V1105-R1109 PolarHBondContact O-N 2.93Å; E1106-R1109 WeakPolarHBondContact O-CB 3.45Å; E1106-R1109 PolarHBondContact O-N 3.04Å; E1106-R1109 IonicContact OE1-CZ 2.62Å; E1106-R1109 VanDerWaalsContact OE1-CZ 3.24Å; E1106-R1109 IonicContact OE1-NE 3.24Å; E1106-R1109 PolarHBondContact OE1-NE 3.38Å; E1106-R1109 IonicContact OE1-NH2 2.69Å; E1106-R1109 PolarHBondContact OE1-NH2 2.74Å; E1106-R1109 WeakPolarHBondContact OE2-CD 3.46Å; E1106-R1109 IonicContact OE2-CZ 3.02Å; E1106-R1109 IonicContact OE2-NE 2.6Å; E1106-R1109 PolarHBondContact OE2-NE 2.91Å; R1109-N1112 PolarHBondContact O-N 3.03Å; R1109-E1113 IonicContact CZ-OE1 2.7Å; R1109-E1113 IonicContact CZ-OE2 3.88Å; R1109-E1113 VanDerWaalsContact CZ-OE2 3.25Å; R1109-E1113 IonicContact NH1-OE1 2.83Å; R1109-E1113 PolarHBondContact NH1-OE1 3.45Å; R1109-E1113 IonicContact NH1-OE2 3.89Å; R1109-E1113 PolarHBondContact NH1-OE2 2.85Å; R1109-E1113 IonicContact NH2-OE1 2.66Å; R1109-E1113 IonicContact NH2-OE2 2.75Å; R1109-E1113 PolarHBondContact NH2-OE2 3.09Å; R1109-E1113 PolarHBondContact O-N 3.41Å
1110	L	73.9	Confident	74.7	Confident	89 Å²	89	105.4 Å²	105.4	47%	0.466	50%	0.499	S	S	.	.	H	α-helix	trans	-63.8	-39.1	176.8	-68.1	166.6	0	0	0	112.7	E1106 E1113 L1114	E1106-L1110 HydrophobicContact CG-CD1 4.15Å; E1106-L1110 WeakPolarHBondContact O-CB 3.25Å; E1106-L1110 WeakPolarHBondContact O-CG 3.45Å; E1106-L1110 PolarHBondContact O-N 3.49Å; L1110-E1113 PolarHBondContact O-N 2.88Å; L1110-L1114 WeakPolarHBondContact O-CB 3.36Å; L1110-L1114 PolarHBondContact O-N 3.42Å
1111	L	72.7	Confident	75.1	Confident	97 Å²	97	109.6 Å²	109.6	51%	0.508	51%	0.51	S	S	.	.	H	α-helix	trans	-66.4	-38.5	175.2	-174.5	64.3	0	0	0	112	T1107 L1114 T1115	T1107-L1111 VanDerWaalsContact O-CB 3.31Å; T1107-L1111 WeakPolarHBondContact O-CB 3.41Å; T1107-L1111 PolarHBondContact O-N 2.92Å; L1111-L1114 PolarHBondContact O-N 3.3Å; L1111-T1115 PolarHBondContact O-N 3.03Å; L1111-T1115 PolarHBondContact O-OG1 3.32Å
1112	N	78.3	Confident	75.2	Confident	104 Å²	104	108.5 Å²	108.5	56%	0.556	51%	0.507	S	S	*	.	H	α-helix	trans	-65.6	-47	174.1	-72.1	-5.9	0	0	0	111	R1108 R1109 L1114 T1115 E1116	R1108-N1112 WeakPolarHBondContact O-CB 3.35Å; R1108-N1112 PolarHBondContact O-N 3.31Å; R1108-N1112 PolarHBondContact O-OD1 2.86Å; R1109-N1112 PolarHBondContact O-N 3.03Å; N1112-L1114 VanDerWaalsContact C-N 3.27Å; N1112-L1114 PolarHBondContact O-N 3.25Å; N1112-T1115 PolarHBondContact O-N 3.3Å; N1112-T1115 PolarHBondContact O-OG1 2.98Å; N1112-E1116 WeakPolarHBondContact O-CB 3.48Å; N1112-E1116 PolarHBondContact O-N 3.4Å
1113	E	80.3	Confident	75.3	Confident	81 Å²	81	109.9 Å²	109.9	38%	0.379	51%	0.51	S	S	.	.	H	α-helix	trans	-55.5	-41.3	173	-77	-179.8	141.4	0	0	111.9	R1109 L1110 E1116 K1117	R1109-E1113 IonicContact CZ-OE1 2.7Å; R1109-E1113 IonicContact CZ-OE2 3.88Å; R1109-E1113 VanDerWaalsContact CZ-OE2 3.25Å; R1109-E1113 IonicContact NH1-OE1 2.83Å; R1109-E1113 PolarHBondContact NH1-OE1 3.45Å; R1109-E1113 IonicContact NH1-OE2 3.89Å; R1109-E1113 PolarHBondContact NH1-OE2 2.85Å; R1109-E1113 IonicContact NH2-OE1 2.66Å; R1109-E1113 IonicContact NH2-OE2 2.75Å; R1109-E1113 PolarHBondContact NH2-OE2 3.09Å; R1109-E1113 PolarHBondContact O-N 3.41Å; L1110-E1113 PolarHBondContact O-N 2.88Å; E1113-E1116 PolarHBondContact O-N 2.83Å; E1113-K1117 WeakPolarHBondContact O-CB 3.45Å; E1113-K1117 WeakPolarHBondContact O-CG 3.39Å; E1113-K1117 PolarHBondContact O-N 2.97Å
1114	L	67.1	Low	76.1	Confident	119 Å²	119	109.4 Å²	109.4	62%	0.623	51%	0.51	S	S	*	.	H	α-helix	trans	-62.5	-47	177.3	-166.1	76	0	0	0	111.7	L1110 L1111 N1112 E1116 K1117 E1118	L1110-L1114 WeakPolarHBondContact O-CB 3.36Å; L1110-L1114 PolarHBondContact O-N 3.42Å; L1111-L1114 PolarHBondContact O-N 3.3Å; N1112-L1114 VanDerWaalsContact C-N 3.27Å; N1112-L1114 PolarHBondContact O-N 3.25Å; L1114-E1116 VanDerWaalsContact C-N 3.34Å; L1114-E1116 PolarHBondContact O-N 2.97Å; L1114-K1117 PolarHBondContact O-N 3.49Å; L1114-E1118 WeakPolarHBondContact O-CB 3.45Å; L1114-E1118 PolarHBondContact O-N 2.85Å
1115	T	75.2	Confident	75.7	Confident	58 Å²	58	107.2 Å²	107.2	36%	0.356	51%	0.51	S	S	.	.	H	α-helix	trans	-71.9	-24.3	178.3	57.2	0	0	0	0	114	L1111 N1112 R1119	L1111-T1115 PolarHBondContact O-N 3.03Å; L1111-T1115 PolarHBondContact O-OG1 3.32Å; N1112-T1115 PolarHBondContact O-N 3.3Å; N1112-T1115 PolarHBondContact O-OG1 2.98Å; T1115-R1119 PolarHBondContact O-N 2.99Å
1116	E	82.5	Confident	75.2	Confident	120 Å²	120	112.2 Å²	112.2	56%	0.561	52%	0.52	S	S	*	.	H	α-helix	trans	-74.1	-41.6	171.3	-173.2	160.4	-130.1	0	0	111	N1112 E1113 L1114 R1119 E1120	N1112-E1116 WeakPolarHBondContact O-CB 3.48Å; N1112-E1116 PolarHBondContact O-N 3.4Å; E1113-E1116 PolarHBondContact O-N 2.83Å; L1114-E1116 VanDerWaalsContact C-N 3.34Å; L1114-E1116 PolarHBondContact O-N 2.97Å; E1116-R1119 WeakPolarHBondContact O-CB 3.3Å; E1116-R1119 PolarHBondContact O-N 2.9Å; E1116-E1120 PolarHBondContact O-N 2.84Å
1117	K	78	Confident	75	Confident	100 Å²	100	110.3 Å²	110.3	44%	0.435	52%	0.52	S	S	.	.	H	α-helix	trans	-66.7	-36.9	172.7	-69.1	-68	162.2	-148.7	0	113	E1113 L1114 R1119 E1120 Y1121	E1113-K1117 WeakPolarHBondContact O-CB 3.45Å; E1113-K1117 WeakPolarHBondContact O-CG 3.39Å; E1113-K1117 PolarHBondContact O-N 2.97Å; L1114-K1117 PolarHBondContact O-N 3.49Å; K1117-R1119 VanDerWaalsContact C-N 3.27Å; K1117-R1119 PolarHBondContact O-N 3.23Å; K1117-E1120 WeakPolarHBondContact CD-OE2 3.43Å; K1117-E1120 IonicContact NZ-OE1 3.94Å; K1117-E1120 PolarHBondContact NZ-OE1 3.21Å; K1117-E1120 IonicContact NZ-OE2 3.85Å; K1117-E1120 PolarHBondContact NZ-OE2 3.4Å; K1117-E1120 PolarHBondContact O-N 2.78Å; K1117-Y1121 WeakPolarHBondContact O-CD2 3.23Å; K1117-Y1121 PolarHBondContact O-N 2.97Å
1118	E	76.8	Confident	74.9	Confident	105 Å²	105	109 Å²	109	49%	0.491	52%	0.515	S	S	.	.	H	α-helix	trans	-58.3	-41.8	170.8	-166	-169.3	159.6	0	0	111.2	L1114 Y1121 Q1122	L1114-E1118 WeakPolarHBondContact O-CB 3.45Å; L1114-E1118 PolarHBondContact O-N 2.85Å; E1118-Y1121 PolarHBondContact O-N 3.48Å; E1118-Q1122 WeakPolarHBondContact O-CG 3.22Å; E1118-Q1122 PolarHBondContact O-N 2.75Å; E1118-Q1122 PolarHBondContact OE1-NE2 3.44Å
1119	R	75.6	Confident	74.6	Confident	150 Å²	150	106.4 Å²	106.4	57%	0.566	52%	0.516	S	S	*	.	H	α-helix	trans	-65.7	-44.8	177.6	-164.3	-179	-57.1	155.5	9.5	112.5	T1115 E1116 K1117 Y1121 Q1122 E1123	T1115-R1119 PolarHBondContact O-N 2.99Å; E1116-R1119 WeakPolarHBondContact O-CB 3.3Å; E1116-R1119 PolarHBondContact O-N 2.9Å; K1117-R1119 VanDerWaalsContact C-N 3.27Å; K1117-R1119 PolarHBondContact O-N 3.23Å; R1119-Y1121 VanDerWaalsContact C-N 3.3Å; R1119-Y1121 PolarHBondContact O-N 3.36Å; R1119-Q1122 PolarHBondContact O-N 3.13Å; R1119-E1123 PolarHBondContact O-N 2.9Å
1120	E	81.9	Confident	73.6	Confident	87 Å²	87	107.1 Å²	107.1	41%	0.407	53%	0.526	S	S	.	.	H	α-helix	trans	-54.6	-46.3	171.8	-78.8	-177.7	-174.3	0	0	111.3	E1116 K1117 Q1122 E1123 L1124	E1116-E1120 PolarHBondContact O-N 2.84Å; K1117-E1120 WeakPolarHBondContact CD-OE2 3.43Å; K1117-E1120 IonicContact NZ-OE1 3.94Å; K1117-E1120 PolarHBondContact NZ-OE1 3.21Å; K1117-E1120 IonicContact NZ-OE2 3.85Å; K1117-E1120 PolarHBondContact NZ-OE2 3.4Å; K1117-E1120 PolarHBondContact O-N 2.78Å; E1120-Q1122 PolarHBondContact O-N 2.96Å; E1120-E1123 PolarHBondContact O-N 3.03Å; E1120-L1124 WeakPolarHBondContact O-CB 3.2Å; E1120-L1124 VanDerWaalsContact O-CG 3.29Å; E1120-L1124 WeakPolarHBondContact O-CG 3.37Å; E1120-L1124 PolarHBondContact O-N 3.4Å
1121	Y	68.7	Low	73.6	Confident	172 Å²	172	109.7 Å²	109.7	68%	0.675	53%	0.534	S	S	*	.	H	α-helix	trans	-63.8	-39.2	177.9	-83.1	-63.8	0	0	0	112.8	K1117 E1118 R1119 L1125	K1117-Y1121 WeakPolarHBondContact O-CD2 3.23Å; K1117-Y1121 PolarHBondContact O-N 2.97Å; E1118-Y1121 PolarHBondContact O-N 3.48Å; R1119-Y1121 VanDerWaalsContact C-N 3.3Å; R1119-Y1121 PolarHBondContact O-N 3.36Å; Y1121-L1125 VanDerWaalsContact O-CB 3.29Å; Y1121-L1125 WeakPolarHBondContact O-CB 3.46Å; Y1121-L1125 PolarHBondContact O-N 3.16Å
1122	Q	68.1	Low	73.3	Confident	102 Å²	102	112.1 Å²	112.1	48%	0.477	54%	0.536	S	S	.	.	H	α-helix	trans	-67	-36.5	176.2	-70.5	-177.2	21.5	0	0	112.6	E1118 R1119 E1120 R1126	E1118-Q1122 WeakPolarHBondContact O-CG 3.22Å; E1118-Q1122 PolarHBondContact O-N 2.75Å; E1118-Q1122 PolarHBondContact OE1-NE2 3.44Å; R1119-Q1122 PolarHBondContact O-N 3.13Å; E1120-Q1122 PolarHBondContact O-N 2.96Å; Q1122-R1126 PolarHBondContact O-N 2.75Å; Q1122-R1126 VanDerWaalsContact O-N 3.1Å
1123	E	76.9	Confident	72.6	Confident	131 Å²	131	111.7 Å²	111.7	61%	0.612	53%	0.531	S	S	*	.	H	α-helix	trans	-71.9	-42.3	175.1	-70.9	-169.4	145.1	0	0	112.4	R1119 E1120 L1125 R1126 G1127	R1119-E1123 PolarHBondContact O-N 2.9Å; E1120-E1123 PolarHBondContact O-N 3.03Å; E1123-L1125 VanDerWaalsContact C-N 3.3Å; E1123-L1125 PolarHBondContact O-N 3.35Å; E1123-R1126 PolarHBondContact O-N 3.28Å; E1123-G1127 PolarHBondContact O-N 3.47Å
1124	L	80.1	Confident	72.1	Confident	119 Å²	119	114 Å²	114	62%	0.623	54%	0.541	S	S	*	.	H	α-helix	trans	-59.6	-40	172.5	-74	169.2	0	0	0	111.8	E1120 G1127 S1128	E1120-L1124 WeakPolarHBondContact O-CB 3.2Å; E1120-L1124 VanDerWaalsContact O-CG 3.29Å; E1120-L1124 WeakPolarHBondContact O-CG 3.37Å; E1120-L1124 PolarHBondContact O-N 3.4Å; L1124-G1127 PolarHBondContact O-N 3.48Å; L1124-S1128 WeakPolarHBondContact O-CB 3.31Å; L1124-S1128 PolarHBondContact O-N 3.08Å
1125	L	61	Low	72.2	Confident	117 Å²	117	113.8 Å²	113.8	61%	0.613	54%	0.538	S	S	*	.	H	α-helix	trans	-63.3	-46.8	176.2	-169.1	71	0	0	0	111.3	Y1121 E1123 G1127 S1128 V1129	Y1121-L1125 VanDerWaalsContact O-CB 3.29Å; Y1121-L1125 WeakPolarHBondContact O-CB 3.46Å; Y1121-L1125 PolarHBondContact O-N 3.16Å; E1123-L1125 VanDerWaalsContact C-N 3.3Å; E1123-L1125 PolarHBondContact O-N 3.35Å; L1125-G1127 PolarHBondContact O-N 2.86Å; L1125-S1128 PolarHBondContact O-N 2.89Å; L1125-V1129 WeakPolarHBondContact O-CG2 3.27Å; L1125-V1129 PolarHBondContact O-N 2.82Å
1126	R	71.1	Confident	72	Confident	187 Å²	187	114.7 Å²	114.7	71%	0.706	54%	0.539	S	S	*	.	H	α-helix	trans	-59.6	-44.8	175.1	-79.5	179.5	169.9	166.6	-0.6	112.4	Q1122 E1123 S1128 V1129 L1130	Q1122-R1126 PolarHBondContact O-N 2.75Å; Q1122-R1126 VanDerWaalsContact O-N 3.1Å; E1123-R1126 PolarHBondContact O-N 3.28Å; R1126-S1128 VanDerWaalsContact C-N 3.32Å; R1126-S1128 PolarHBondContact O-N 3.24Å; R1126-V1129 PolarHBondContact O-N 3.27Å; R1126-L1130 PolarHBondContact O-N 2.91Å
1127	G	71	Confident	70.8	Confident	36 Å²	36	111.9 Å²	111.9	37%	0.371	53%	0.528	S	S	.	.	H	α-helix	trans	-63	-36.1	176.7	0	0	0	0	0	113.3	E1123 L1124 L1125 K1131	E1123-G1127 PolarHBondContact O-N 3.47Å; L1124-G1127 PolarHBondContact O-N 3.48Å; L1125-G1127 PolarHBondContact O-N 2.86Å; G1127-K1131 PolarHBondContact O-N 3.46Å
1128	S	69.1	Low	70.4	Confident	63 Å²	63	113.5 Å²	113.5	44%	0.441	54%	0.537	S	S	.	.	H	α-helix	trans	-70.1	-39.5	176.2	-165.2	0	0	0	0	112.7	L1124 L1125 R1126 R1132	L1124-S1128 WeakPolarHBondContact O-CB 3.31Å; L1124-S1128 PolarHBondContact O-N 3.08Å; L1125-S1128 PolarHBondContact O-N 2.89Å; R1126-S1128 VanDerWaalsContact C-N 3.32Å; R1126-S1128 PolarHBondContact O-N 3.24Å; S1128-R1132 PolarHBondContact O-N 3.15Å; S1128-R1132 VanDerWaalsContact O-N 3.14Å
1129	V	66.9	Low	69.6	Low	95 Å²	95	114.2 Å²	114.2	58%	0.576	54%	0.544	S	S	*	.	H	α-helix	trans	-64.6	-45.3	175.3	170.5	0	0	0	0	111.4	L1125 R1126 R1132 Q1133	L1125-V1129 WeakPolarHBondContact O-CG2 3.27Å; L1125-V1129 PolarHBondContact O-N 2.82Å; R1126-V1129 PolarHBondContact O-N 3.27Å; V1129-R1132 PolarHBondContact O-N 3.21Å; V1129-Q1133 PolarHBondContact O-N 3.38Å; V1129-Q1133 VanDerWaalsContact O-N 3.07Å
1130	L	70.4	Confident	68.6	Low	117 Å²	117	114.5 Å²	114.5	61%	0.613	55%	0.545	S	S	*	.	H	α-helix	trans	-58.8	-49.1	177.1	-80.2	163.3	0	0	0	112	R1126 R1132 Q1133 E1134	R1126-L1130 PolarHBondContact O-N 2.91Å; L1130-R1132 VanDerWaalsContact C-N 3.3Å; L1130-R1132 PolarHBondContact O-N 3.31Å; L1130-Q1133 WeakPolarHBondContact O-CB 3.39Å; L1130-Q1133 PolarHBondContact O-N 3.15Å; L1130-Q1133 VanDerWaalsContact O-N 3.07Å; L1130-E1134 PolarHBondContact O-N 3.32Å; L1130-E1134 VanDerWaalsContact O-N 3.09Å
1131	K	73.1	Confident	67	Low	144 Å²	144	117.3 Å²	117.3	63%	0.626	56%	0.556	S	S	*	*	H	α-helix	trans	-60.5	-35.5	177.1	-85	-173	170.1	-178.1	0	113.9	G1127 Q1135	G1127-K1131 PolarHBondContact O-N 3.46Å; K1131-Q1135 WeakPolarHBondContact O-CG 3.4Å; K1131-Q1135 PolarHBondContact O-N 2.86Å; K1131-Q1135 VanDerWaalsContact O-N 3.17Å
1132	R	66.3	Low	66.2	Low	148 Å²	148	113 Å²	113	56%	0.558	55%	0.547	S	S	*	.	H	α-helix	trans	-68	-35.8	174.7	-86.7	-177.9	165	167.8	-4.4	112.3	S1128 V1129 L1130 Q1135 I1136	S1128-R1132 PolarHBondContact O-N 3.15Å; S1128-R1132 VanDerWaalsContact O-N 3.14Å; V1129-R1132 PolarHBondContact O-N 3.21Å; L1130-R1132 VanDerWaalsContact C-N 3.3Å; L1130-R1132 PolarHBondContact O-N 3.31Å; R1132-Q1135 PolarHBondContact O-N 2.84Å; R1132-I1136 WeakPolarHBondContact O-CD1 3.37Å; R1132-I1136 VanDerWaalsContact O-CG1 3.3Å; R1132-I1136 WeakPolarHBondContact O-CG1 3.42Å; R1132-I1136 PolarHBondContact O-N 3.5Å; R1132-I1136 VanDerWaalsContact O-N 3.1Å
1133	Q	63.9	Low	65.2	Low	94 Å²	94	115.1 Å²	115.1	44%	0.439	56%	0.555	S	S	.	*	H	α-helix	trans	-65.7	-44.3	175.8	-171.5	56.3	52.8	0	0	111.4	V1129 L1130 Q1135 I1136 D1137	V1129-Q1133 PolarHBondContact O-N 3.38Å; V1129-Q1133 VanDerWaalsContact O-N 3.07Å; L1130-Q1133 WeakPolarHBondContact O-CB 3.39Å; L1130-Q1133 PolarHBondContact O-N 3.15Å; L1130-Q1133 VanDerWaalsContact O-N 3.07Å; Q1133-Q1135 VanDerWaalsContact C-N 3.34Å; Q1133-Q1135 PolarHBondContact O-N 3.31Å; Q1133-I1136 PolarHBondContact O-N 2.83Å; Q1133-D1137 PolarHBondContact NE2-OD2 3.04Å; Q1133-D1137 PolarHBondContact O-N 2.84Å; Q1133-D1137 VanDerWaalsContact O-N 3.15Å
1134	E	69.9	Low	63.8	Low	129 Å²	129	115.5 Å²	115.5	60%	0.603	56%	0.56	S	S	*	*	H	α-helix	trans	-56.7	-45.8	174.9	-66.9	175.2	142.5	0	0	111.8	L1130 I1136 D1137 E1138	L1130-E1134 PolarHBondContact O-N 3.32Å; L1130-E1134 VanDerWaalsContact O-N 3.09Å; E1134-I1136 PolarHBondContact O-N 3.09Å; E1134-D1137 PolarHBondContact O-N 3.32Å; E1134-E1138 PolarHBondContact O-N 2.93Å
1135	Q	70.6	Confident	62.2	Low	116 Å²	116	115.7 Å²	115.7	54%	0.542	56%	0.56	S	S	.	*	H	α-helix	trans	-64	-35.7	177.6	-73.1	-179	-30.8	0	0	113.6	K1131 R1132 Q1133 D1137 E1138 L1139	K1131-Q1135 WeakPolarHBondContact O-CG 3.4Å; K1131-Q1135 PolarHBondContact O-N 2.86Å; K1131-Q1135 VanDerWaalsContact O-N 3.17Å; R1132-Q1135 PolarHBondContact O-N 2.84Å; Q1133-Q1135 VanDerWaalsContact C-N 3.34Å; Q1133-Q1135 PolarHBondContact O-N 3.31Å; Q1135-D1137 VanDerWaalsContact C-N 3.33Å; Q1135-E1138 PolarHBondContact O-N 2.82Å; Q1135-L1139 WeakPolarHBondContact O-CG 3.37Å; Q1135-L1139 PolarHBondContact O-N 2.67Å
1136	I	69.1	Low	61.3	Low	76 Å²	76	117.4 Å²	117.4	39%	0.39	57%	0.565	S	S	.	*	H	α-helix	trans	-65.5	-38.7	176.1	-72.1	163.9	0	0	0	110.8	R1132 Q1133 E1134 L1139 R1140	R1132-I1136 WeakPolarHBondContact O-CD1 3.37Å; R1132-I1136 VanDerWaalsContact O-CG1 3.3Å; R1132-I1136 WeakPolarHBondContact O-CG1 3.42Å; R1132-I1136 PolarHBondContact O-N 3.5Å; R1132-I1136 VanDerWaalsContact O-N 3.1Å; Q1133-I1136 PolarHBondContact O-N 2.83Å; E1134-I1136 PolarHBondContact O-N 3.09Å; I1136-L1139 PolarHBondContact O-N 2.76Å; I1136-R1140 WeakPolarHBondContact O-CG 3.43Å; I1136-R1140 PolarHBondContact O-N 3.07Å; I1136-R1140 VanDerWaalsContact O-N 3.12Å
1137	D	59	Low	59.6	Low	61 Å²	61	116.2 Å²	116.2	33%	0.326	57%	0.568	S	S	.	*	H	α-helix	trans	-84.7	-9	-179.2	-63.7	-40.7	0	0	0	113.7	Q1133 E1134 Q1135 R1140 K1141	Q1133-D1137 PolarHBondContact NE2-OD2 3.04Å; Q1133-D1137 PolarHBondContact O-N 2.84Å; Q1133-D1137 VanDerWaalsContact O-N 3.15Å; E1134-D1137 PolarHBondContact O-N 3.32Å; Q1135-D1137 VanDerWaalsContact C-N 3.33Å; D1137-R1140 WeakPolarHBondContact OD1-CD 3.5Å; D1137-R1140 IonicContact OD1-CZ 3.29Å; D1137-R1140 IonicContact OD1-NH1 2.72Å; D1137-R1140 PolarHBondContact OD1-NH1 3.04Å; D1137-K1141 WeakPolarHBondContact O-CE 3.42Å
1138	E	68.8	Low	57.8	Low	135 Å²	135	119.6 Å²	119.6	63%	0.631	59%	0.585	S	S	*	*	H	α-helix	trans	-78	-50.8	158.2	-71.7	-165.4	134.6	0	0	111.9	E1134 Q1135 R1140 K1141	E1134-E1138 PolarHBondContact O-N 2.93Å; Q1135-E1138 PolarHBondContact O-N 2.82Å; E1138-R1140 PolarHBondContact O-N 3.23Å; E1138-K1141 WeakPolarHBondContact O-CB 3.41Å; E1138-K1141 PolarHBondContact O-N 3.39Å
1139	L	60.8	Low	56.2	Low	119 Å²	119	125 Å²	125	62%	0.623	60%	0.604	S	S	*	*	H	α-helix	trans	-59.7	-30	-178.5	-73.5	167.7	0	0	0	113.2	Q1135 I1136 K1141 T1142 F1143	Q1135-L1139 WeakPolarHBondContact O-CG 3.37Å; Q1135-L1139 PolarHBondContact O-N 2.67Å; I1136-L1139 PolarHBondContact O-N 2.76Å; L1139-K1141 PolarHBondContact O-N 2.79Å; L1139-T1142 PolarHBondContact O-OG1 3.32Å; L1139-T1142 VanDerWaalsContact O-OG1 3.12Å; L1139-F1143 PolarHBondContact O-N 3.45Å
1140	R	54.5	Low	54.7	Low	157 Å²	157	128.5 Å²	128.5	59%	0.592	62%	0.618	S	S	*	*	H	α-helix	trans	-66.6	-19.4	172.8	-79.1	168.2	164.3	173.2	-6.4	114.5	I1136 D1137 E1138	I1136-R1140 WeakPolarHBondContact O-CG 3.43Å; I1136-R1140 PolarHBondContact O-N 3.07Å; I1136-R1140 VanDerWaalsContact O-N 3.12Å; D1137-R1140 WeakPolarHBondContact OD1-CD 3.5Å; D1137-R1140 IonicContact OD1-CZ 3.29Å; D1137-R1140 IonicContact OD1-NH1 2.72Å; D1137-R1140 PolarHBondContact OD1-NH1 3.04Å; E1138-R1140 PolarHBondContact O-N 3.23Å
1141	K	48.5	Very low	53	Low	146 Å²	146	130.5 Å²	130.5	64%	0.635	63%	0.63	S	S	*	*	H	α-helix	trans	-87.4	-34.9	178.8	-66.3	167.8	-175.3	156.6	0	112.3	D1137 E1138 L1139	D1137-K1141 WeakPolarHBondContact O-CE 3.42Å; E1138-K1141 WeakPolarHBondContact O-CB 3.41Å; E1138-K1141 PolarHBondContact O-N 3.39Å; L1139-K1141 PolarHBondContact O-N 2.79Å
1142	T	51.8	Low	51.1	Low	80 Å²	80	128.3 Å²	128.3	49%	0.491	63%	0.633	S	S	.	*	H	α-helix	trans	-69	-40.3	176	25.6	0	0	0	0	112.4	L1139 I1144 I1145	L1139-T1142 PolarHBondContact O-OG1 3.32Å; L1139-T1142 VanDerWaalsContact O-OG1 3.12Å; T1142-I1144 PolarHBondContact O-N 3.24Å; T1142-I1145 WeakPolarHBondContact O-CB 3.48Å; T1142-I1145 PolarHBondContact O-N 3.13Å
1143	F	46.8	Very low	49.6	Very low	147 Å²	147	127.8 Å²	127.8	65%	0.645	65%	0.646	S	S	*	*	H	α-helix	trans	-61	-23.1	-175.1	-147.5	-87.8	0	0	0	114.4	L1139 I1145	L1139-F1143 PolarHBondContact O-N 3.45Å; F1143-I1145 VanDerWaalsContact C-N 3.25Å; F1143-I1145 PolarHBondContact O-N 2.84Å
1144	I	47.3	Very low	48.3	Very low	140 Å²	140	133.1 Å²	133.1	72%	0.718	67%	0.668	S	S	*	*	H	α-helix	trans	-75.8	-13.7	178.9	-63.3	173.9	0	0	0	112.1	T1142	T1142-I1144 PolarHBondContact O-N 3.24Å
1145	I	46.8	Very low	46.7	Very low	123 Å²	123	131.3 Å²	131.3	63%	0.631	67%	0.668	S	S	*	*	H	α-helix	trans	-92.9	-31.3	-174.2	-56.9	177.3	0	0	0	111.8	T1142 F1143	T1142-I1145 WeakPolarHBondContact O-CB 3.48Å; T1142-I1145 PolarHBondContact O-N 3.13Å; F1143-I1145 VanDerWaalsContact C-N 3.25Å; F1143-I1145 PolarHBondContact O-N 2.84Å
1146	E	41.3	Very low	45.5	Very low	152 Å²	152	131.2 Å²	131.2	71%	0.71	68%	0.681	S	S	*	*	H	α-helix	trans	-84.3	-19	-169.3	-63.5	-174.9	144.3	0	0	114.9	S1148	E1146-S1148 PolarHBondContact O-N 3.06Å; E1146-S1148 VanDerWaalsContact O-N 3.09Å
1147	E	36.5	Very low	44.8	Very low	163 Å²	163	133.1 Å²	133.1	76%	0.762	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-10.6	177.5	-82.1	-165.6	140.5	0	0	114.1
1148	S	33	Very low	44.9	Very low	106 Å²	106	134.1 Å²	134.1	74%	0.741	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-22.8	-169.2	-169.2	0	0	0	0	116.1	E1146	E1146-S1148 PolarHBondContact O-N 3.06Å; E1146-S1148 VanDerWaalsContact O-N 3.09Å
1149	E	35.7	Very low	44.5	Very low	176 Å²	176	134 Å²	134	82%	0.822	71%	0.708	S	S	*	*	S	Bend	trans	-108.1	-22.4	-162.4	-62.6	-158.7	139.4	0	0	115.9	N1151	E1149-N1151 PolarHBondContact O-N 2.88Å
1150	L	35.6	Very low	44.7	Very low	169 Å²	169	130.3 Å²	130.3	89%	0.885	69%	0.69	S	S	*	*			trans	-95.5	34	-162	-150.2	76.2	0	0	0	116.2
1151	N	32.7	Very low	45.5	Very low	159 Å²	159	128.8 Å²	128.8	85%	0.85	69%	0.688	S	S	*	*			trans	-121.6	28.1	-168.7	-113.9	-40.6	0	0	0	116.5	E1149	E1149-N1151 PolarHBondContact O-N 2.88Å
1152	S	33.4	Very low	46.8	Very low	99 Å²	99	124.8 Å²	124.8	69%	0.692	68%	0.678	S	S	*	*			trans	-148.4	101	173.6	63.9	0	0	0	0	115.9
1153	T	35.8	Very low	48	Very low	136 Å²	136	121 Å²	121	83%	0.834	66%	0.655	S	S	*	*				169.6	130.3	121.5	33.9	0	0	0	0	114.1
1154	K	36.3	Very low	49.5	Very low	207 Å²	207	115.3 Å²	115.3	90%	0.9	63%	0.632	S	S	*	*			trans	127.7	111.2	153.6	-74.6	178.1	179	178.6	0	114.2
1155	C	36.8	Very low	51	Low	90 Å²	90	113 Å²	113	61%	0.608	63%	0.628	S	S	*	*			trans	-166.5	106.7	162.3	172.7	0	0	0	0	110.4
1156	S	45.8	Very low	52.7	Low	115 Å²	115	108.8 Å²	108.8	80%	0.804	60%	0.604	S	S	*	*			trans	-152.5	40.6	-175.8	64.9	0	0	0	0	116
1157	N	54.4	Low	54.4	Low	116 Å²	116	101.5 Å²	101.5	62%	0.62	57%	0.57	S	S	*	*			trans	-123.7	147.3	166.8	-104	-11.1	0	0	0	111.4	T1160 K1161	N1157-T1160 WeakPolarHBondContact CB-OG1 3.17Å; N1157-K1161 PolarHBondContact O-N 3.18Å
1158	A	61.2	Low	56.4	Low	82 Å²	82	100 Å²	100	68%	0.678	56%	0.561	S	S	*	*	H	α-helix	trans	-75.5	-43.8	-172.9	0	0	0	0	0	112.8	T1160 K1161 S1162	A1158-T1160 VanDerWaalsContact C-N 3.33Å; A1158-T1160 PolarHBondContact O-N 3.07Å; A1158-K1161 WeakPolarHBondContact O-CB 3.36Å; A1158-K1161 PolarHBondContact O-N 2.85Å; A1158-K1161 VanDerWaalsContact O-N 3.14Å; A1158-S1162 PolarHBondContact O-N 2.95Å; A1158-S1162 VanDerWaalsContact O-N 3.13Å
1159	E	59.1	Low	58.5	Low	133 Å²	133	99.1 Å²	99.1	62%	0.621	56%	0.555	S	S	*	*	H	α-helix	trans	-66.1	-38.2	177.3	-62.3	178.6	168.7	0	0	111.5	K1161 S1162 L1163	E1159-K1161 VanDerWaalsContact C-N 3.28Å; E1159-K1161 PolarHBondContact O-N 3.37Å; E1159-S1162 WeakPolarHBondContact O-CA 3.41Å; E1159-S1162 WeakPolarHBondContact O-CB 3.34Å; E1159-S1162 PolarHBondContact O-N 3.14Å; E1159-L1163 PolarHBondContact O-N 2.9Å
1160	T	64.6	Low	60.5	Low	41 Å²	41	91.4 Å²	91.4	25%	0.252	52%	0.519	S	S	.	.	H	α-helix	trans	-54.7	-42.5	170.3	-44.3	0	0	0	0	111.6	N1157 A1158 L1163 V1164 L1181	N1157-T1160 WeakPolarHBondContact CB-OG1 3.17Å; A1158-T1160 VanDerWaalsContact C-N 3.33Å; A1158-T1160 PolarHBondContact O-N 3.07Å; T1160-L1163 PolarHBondContact O-N 3.45Å; T1160-V1164 WeakPolarHBondContact O-CB 3.47Å; T1160-V1164 VanDerWaalsContact O-CG2 3.27Å; T1160-V1164 WeakPolarHBondContact O-CG2 3.45Å; T1160-V1164 PolarHBondContact O-N 2.85Å; T1160-L1181 HydrophobicContact CG2-CD1 3.88Å; T1160-L1181 HydrophobicContact CG2-CD2 3.76Å; T1160-L1181 HydrophobicContact CG2-CG 4.36Å
1161	K	72.5	Confident	62.4	Low	125 Å²	125	87.5 Å²	87.5	54%	0.543	50%	0.504	S	S	.	.	H	α-helix	trans	-65.2	-40.6	174.4	-71.4	177.5	-180	-178.6	0	112	N1157 A1158 E1159 V1164 C1165	N1157-K1161 PolarHBondContact O-N 3.18Å; A1158-K1161 WeakPolarHBondContact O-CB 3.36Å; A1158-K1161 PolarHBondContact O-N 2.85Å; A1158-K1161 VanDerWaalsContact O-N 3.14Å; E1159-K1161 VanDerWaalsContact C-N 3.28Å; E1159-K1161 PolarHBondContact O-N 3.37Å; K1161-V1164 PolarHBondContact O-N 3.26Å; K1161-C1165 WeakPolarHBondContact O-CB 3.33Å; K1161-C1165 PolarHBondContact O-N 3.46Å; K1161-C1165 PolarHBondContact O-SG 3.45Å
1162	S	74.6	Confident	64.7	Low	62 Å²	62	81 Å²	81	43%	0.434	47%	0.47	S	S	.	.	H	α-helix	trans	-60.5	-47.3	176.1	-166.9	0	0	0	0	111.6	A1158 E1159 C1165 W1166	A1158-S1162 PolarHBondContact O-N 2.95Å; A1158-S1162 VanDerWaalsContact O-N 3.13Å; E1159-S1162 WeakPolarHBondContact O-CA 3.41Å; E1159-S1162 WeakPolarHBondContact O-CB 3.34Å; E1159-S1162 PolarHBondContact O-N 3.14Å; S1162-C1165 PolarHBondContact O-N 3.05Å; S1162-W1166 PolarHBondContact O-N 3.13Å
1163	L	77.1	Confident	66.9	Low	0 Å²	0	79.5 Å²	79.5	0%	0	45%	0.454	C	S	.	.	H	α-helix	trans	-61.2	-48.1	175.4	176.8	58.4	0	0	0	112	E1159 T1160 C1165 W1166 L1167 L1181 F1185 L1187 L1190	E1159-L1163 PolarHBondContact O-N 2.9Å; T1160-L1163 PolarHBondContact O-N 3.45Å; L1163-C1165 VanDerWaalsContact C-N 3.34Å; L1163-C1165 PolarHBondContact O-N 3.45Å; L1163-W1166 PolarHBondContact O-N 3.42Å; L1163-L1167 HydrophobicContact CD1-CD1 3.68Å; L1163-L1167 HydrophobicContact CD1-CD2 4.27Å; L1163-L1167 HydrophobicContact CD1-CG 3.68Å; L1163-L1167 HydrophobicContact CD2-CD1 4.36Å; L1163-L1167 HydrophobicContact CG-CD1 3.75Å; L1163-L1167 HydrophobicContact CG-CG 4.19Å; L1163-L1167 WeakPolarHBondContact O-CB 3.29Å; L1163-L1167 WeakPolarHBondContact O-CG 3.24Å; L1163-L1167 PolarHBondContact O-N 2.72Å; L1163-L1181 HydrophobicContact CD2-CD2 3.87Å; L1163-L1181 HydrophobicContact CG-CD2 4.38Å; L1163-F1185 HydrophobicContact CD2-CB 4.3Å; L1163-F1185 WeakPolarHBondContact CD2-O 3.48Å; L1163-L1187 HydrophobicContact CB-CB 4.14Å; L1163-L1187 HydrophobicContact CD1-CB 4.3Å; L1163-L1187 HydrophobicContact CD1-CD1 3.84Å; L1163-L1190 HydrophobicContact CD1-CD2 3.71Å
1164	V	78.2	Confident	68.8	Low	27 Å²	27	77.2 Å²	77.2	16%	0.164	43%	0.434	C	S	.	.	H	α-helix	trans	-61.4	-41.3	178.3	171.7	0	0	0	0	111.8	T1160 K1161 L1167 K1168 I1177 L1181	T1160-V1164 WeakPolarHBondContact O-CB 3.47Å; T1160-V1164 VanDerWaalsContact O-CG2 3.27Å; T1160-V1164 WeakPolarHBondContact O-CG2 3.45Å; T1160-V1164 PolarHBondContact O-N 2.85Å; K1161-V1164 PolarHBondContact O-N 3.26Å; V1164-L1167 PolarHBondContact O-N 3.33Å; V1164-K1168 HydrophobicContact CG1-CD 4.01Å; V1164-K1168 HydrophobicContact CG1-CG 4.37Å; V1164-K1168 WeakPolarHBondContact O-CB 2.98Å; V1164-K1168 WeakPolarHBondContact O-CG 3.33Å; V1164-K1168 PolarHBondContact O-N 3.08Å; V1164-I1177 HydrophobicContact CG2-CG2 4.06Å; V1164-L1181 HydrophobicContact CG2-CD1 3.67Å; V1164-L1181 HydrophobicContact CG2-CD2 4.04Å; V1164-L1181 HydrophobicContact CG2-CG 4.29Å
1165	C	79.2	Confident	70.8	Confident	93 Å²	93	71.2 Å²	71.2	63%	0.628	41%	0.412	S	S	*	.	H	α-helix	trans	-63.1	-41.3	176.5	-75	0	0	0	0	112	K1161 S1162 L1163 S1169	K1161-C1165 WeakPolarHBondContact O-CB 3.33Å; K1161-C1165 PolarHBondContact O-N 3.46Å; K1161-C1165 PolarHBondContact O-SG 3.45Å; S1162-C1165 PolarHBondContact O-N 3.05Å; L1163-C1165 VanDerWaalsContact C-N 3.34Å; L1163-C1165 PolarHBondContact O-N 3.45Å; C1165-S1169 PolarHBondContact O-N 3.18Å
1166	W	82.2	Confident	72.7	Confident	33 Å²	33	67.1 Å²	67.1	13%	0.125	38%	0.384	C	S	.	.	H	α-helix	trans	-69.7	-46.3	175.2	-178	64.2	0	0	0	112.4	S1162 L1163 K1168 S1169 V1170 L1187 L1190 L1191 L1212 A1215 I1216 R1219	S1162-W1166 PolarHBondContact O-N 3.13Å; L1163-W1166 PolarHBondContact O-N 3.42Å; W1166-K1168 VanDerWaalsContact C-N 3.25Å; W1166-K1168 PolarHBondContact O-N 2.87Å; W1166-S1169 WeakPolarHBondContact O-CA 3.27Å; W1166-S1169 WeakPolarHBondContact O-CB 3.42Å; W1166-S1169 PolarHBondContact O-N 3.04Å; W1166-S1169 PolarHBondContact O-OG 3.47Å; W1166-V1170 HydrophobicContact CD2-CG2 4.31Å; W1166-V1170 HydrophobicContact CH2-CG2 4Å; W1166-V1170 HydrophobicContact CZ2-CG2 3.68Å; W1166-V1170 HydrophobicContact CZ3-CG2 4.43Å; W1166-V1170 PolarHBondContact O-N 3.43Å; W1166-L1187 HydrophobicContact CB-CD1 3.73Å; W1166-L1187 HydrophobicContact CB-CD2 4.02Å; W1166-L1187 HydrophobicContact CD2-CD1 3.72Å; W1166-L1187 HydrophobicContact CE3-CD1 3.45Å; W1166-L1187 VanDerWaalsContact CE3-CD1 3.45Å; W1166-L1187 HydrophobicContact CG-CD1 3.84Å; W1166-L1187 HydrophobicContact CZ3-CD1 4.36Å; W1166-L1190 HydrophobicContact CZ3-CD2 3.99Å; W1166-L1191 HydrophobicContact CH2-CD2 3.79Å; W1166-L1191 HydrophobicContact CZ2-CD2 3.89Å; W1166-L1191 HydrophobicContact CZ3-CD2 4.13Å; W1166-L1212 HydrophobicContact CH2-CD1 4.03Å; W1166-L1212 HydrophobicContact CZ3-CD1 3.84Å; W1166-A1215 HydrophobicContact CH2-CB 4.22Å; W1166-A1215 HydrophobicContact CZ2-CB 4.05Å; W1166-I1216 HydrophobicContact CH2-CG1 3.87Å; W1166-I1216 HydrophobicContact CZ3-CG1 4.41Å; W1166-R1219 VanDerWaalsContact NE1-NH1 3.16Å
1167	L	78.1	Confident	74.3	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-60.5	-35.4	178.6	-69.2	173.6	0	0	0	112	L1163 V1164 S1169 V1170 V1172 I1177 L1180 L1190 L1212	L1163-L1167 HydrophobicContact CD1-CD1 3.68Å; L1163-L1167 HydrophobicContact CD1-CD2 4.27Å; L1163-L1167 HydrophobicContact CD1-CG 3.68Å; L1163-L1167 HydrophobicContact CD2-CD1 4.36Å; L1163-L1167 HydrophobicContact CG-CD1 3.75Å; L1163-L1167 HydrophobicContact CG-CG 4.19Å; L1163-L1167 WeakPolarHBondContact O-CB 3.29Å; L1163-L1167 WeakPolarHBondContact O-CG 3.24Å; L1163-L1167 PolarHBondContact O-N 2.72Å; V1164-L1167 PolarHBondContact O-N 3.33Å; L1167-S1169 PolarHBondContact O-N 3.22Å; L1167-V1170 PolarHBondContact O-N 2.88Å; L1167-V1172 HydrophobicContact CB-CG2 4.36Å; L1167-V1172 WeakPolarHBondContact O-CG2 3.28Å; L1167-I1177 HydrophobicContact CB-CD1 4.08Å; L1167-I1177 HydrophobicContact CB-CG1 3.82Å; L1167-I1177 HydrophobicContact CD1-CB 4.39Å; L1167-I1177 HydrophobicContact CD1-CG1 4.08Å; L1167-I1177 HydrophobicContact CD1-CG2 4.21Å; L1167-L1180 HydrophobicContact CD1-CB 4.41Å; L1167-L1180 HydrophobicContact CD1-CD1 3.8Å; L1167-L1180 HydrophobicContact CD2-CD1 3.98Å; L1167-L1190 HydrophobicContact CD2-CD2 4.13Å; L1167-L1212 HydrophobicContact CD2-CD1 3.5Å; L1167-L1212 VanDerWaalsContact CD2-CD1 3.5Å
1168	K	78.4	Confident	75.4	Confident	131 Å²	131	60.4 Å²	60.4	57%	0.57	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-12.5	173.1	-73.3	-174.2	175.8	-169.2	0	114.6	V1164 W1166 I1177	V1164-K1168 HydrophobicContact CG1-CD 4.01Å; V1164-K1168 HydrophobicContact CG1-CG 4.37Å; V1164-K1168 WeakPolarHBondContact O-CB 2.98Å; V1164-K1168 WeakPolarHBondContact O-CG 3.33Å; V1164-K1168 PolarHBondContact O-N 3.08Å; W1166-K1168 VanDerWaalsContact C-N 3.25Å; W1166-K1168 PolarHBondContact O-N 2.87Å; K1168-I1177 HydrophobicContact CG-CD1 3.77Å
1169	S	76.8	Confident	76.2	Confident	88 Å²	88	59.9 Å²	59.9	62%	0.615	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-11.3	168.5	75.6	0	0	0	0	113.4	C1165 W1166 L1167	C1165-S1169 PolarHBondContact O-N 3.18Å; W1166-S1169 WeakPolarHBondContact O-CA 3.27Å; W1166-S1169 WeakPolarHBondContact O-CB 3.42Å; W1166-S1169 PolarHBondContact O-N 3.04Å; W1166-S1169 PolarHBondContact O-OG 3.47Å; L1167-S1169 PolarHBondContact O-N 3.22Å
1170	V	77.4	Confident	77	Confident	14 Å²	14	53.6 Å²	53.6	9%	0.085	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	143.5	174.2	-176.8	0	0	0	0	108.4	W1166 L1167 V1172 A1215	W1166-V1170 HydrophobicContact CD2-CG2 4.31Å; W1166-V1170 HydrophobicContact CH2-CG2 4Å; W1166-V1170 HydrophobicContact CZ2-CG2 3.68Å; W1166-V1170 HydrophobicContact CZ3-CG2 4.43Å; W1166-V1170 PolarHBondContact O-N 3.43Å; L1167-V1170 PolarHBondContact O-N 2.88Å; V1170-V1172 HydrophobicContact CB-CG2 4.43Å; V1170-V1172 HydrophobicContact CG1-CG1 4.08Å; V1170-V1172 PolarHBondContact O-N 3.11Å; V1170-A1215 HydrophobicContact CG1-CB 3.76Å; V1170-A1215 HydrophobicContact CG2-CB 3.86Å
1171	P	76.8	Confident	77.6	Confident	86 Å²	86	54 Å²	54	56%	0.558	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	58.6	179.7	31.2	-36.7	0	0	0	113.2	R1211	P1171-R1211 WeakPolarHBondContact O-CD 3.34Å; P1171-R1211 PolarHBondContact O-NH1 3.42Å
1172	V	79.5	Confident	77.8	Confident	22 Å²	22	52 Å²	52	13%	0.133	30%	0.299	C	S	.	.			trans	-102.6	156.9	170.5	-69.5	0	0	0	0	111.3	L1167 V1170 T1176 I1177 L1212	L1167-V1172 HydrophobicContact CB-CG2 4.36Å; L1167-V1172 WeakPolarHBondContact O-CG2 3.28Å; V1170-V1172 HydrophobicContact CB-CG2 4.43Å; V1170-V1172 HydrophobicContact CG1-CG1 4.08Å; V1170-V1172 PolarHBondContact O-N 3.11Å; V1172-T1176 HydrophobicContact CB-CG2 3.97Å; V1172-T1176 HydrophobicContact CG1-CG2 4.07Å; V1172-T1176 HydrophobicContact CG2-CG2 4.49Å; V1172-I1177 HydrophobicContact CG2-CD1 4.47Å; V1172-I1177 HydrophobicContact CG2-CG1 4.16Å; V1172-L1212 HydrophobicContact CG1-CB 4.06Å
1173	D	80.4	Confident	77.7	Confident	69 Å²	69	53.3 Å²	53.3	37%	0.369	30%	0.298	S	S	.	.			trans	-83	164.6	175.9	54.1	38.3	0	0	0	113.2	D1175 T1176 I1177 M1208	D1173-D1175 VanDerWaalsContact C-N 3.26Å; D1173-D1175 PolarHBondContact O-N 3.11Å; D1173-T1176 WeakPolarHBondContact O-CB 3.47Å; D1173-T1176 PolarHBondContact O-N 3.45Å; D1173-T1176 WeakPolarHBondContact OD1-CB 3.37Å; D1173-T1176 PolarHBondContact OD1-N 3.3Å; D1173-T1176 PolarHBondContact OD1-OG1 2.82Å; D1173-I1177 PolarHBondContact O-N 3.28Å; D1173-M1208 VanDerWaalsContact OD2-CG 3.26Å; D1173-M1208 WeakPolarHBondContact OD2-CG 3.35Å
1174	Q	76.5	Confident	77.6	Confident	87 Å²	87	61.7 Å²	61.7	41%	0.407	34%	0.337	S	S	.	.	H	α-helix	trans	-69.8	-23.2	-177.1	-171.8	59.3	68.5	0	0	112.4	I1177 N1178	Q1174-I1177 PolarHBondContact O-N 2.88Å; Q1174-N1178 PolarHBondContact NE2-OD1 3.32Å; Q1174-N1178 WeakPolarHBondContact O-CB 3.33Å; Q1174-N1178 PolarHBondContact O-N 3.15Å; Q1174-N1178 PolarHBondContact O-ND2 3.25Å; Q1174-N1178 PolarHBondContact O-OD1 2.99Å; Q1174-N1178 VanDerWaalsContact O-OD1 3.11Å
1175	D	76.4	Confident	77.4	Confident	82 Å²	82	62.6 Å²	62.6	44%	0.439	34%	0.339	S	S	.	.	H	α-helix	trans	-67.7	-45.5	171.6	174.6	58.6	0	0	0	111.5	D1173 I1177 N1178 K1179	D1173-D1175 VanDerWaalsContact C-N 3.26Å; D1173-D1175 PolarHBondContact O-N 3.11Å; D1175-I1177 VanDerWaalsContact C-N 3.28Å; D1175-I1177 PolarHBondContact O-N 3.14Å; D1175-N1178 PolarHBondContact O-N 3.18Å; D1175-N1178 VanDerWaalsContact O-N 3.16Å; D1175-K1179 WeakPolarHBondContact O-CG 3.5Å; D1175-K1179 PolarHBondContact O-N 3.44Å; D1175-K1179 WeakPolarHBondContact OD1-CE 3.39Å; D1175-K1179 IonicContact OD1-NZ 3.25Å; D1175-K1179 PolarHBondContact OD1-NZ 3.3Å; D1175-K1179 WeakPolarHBondContact OD2-CE 3.19Å; D1175-K1179 IonicContact OD2-NZ 2.8Å; D1175-K1179 PolarHBondContact OD2-NZ 3.39Å
1176	T	78.5	Confident	77.3	Confident	4 Å²	4	60 Å²	60	3%	0.025	32%	0.321	C	S	.	.	H	α-helix	trans	-55.4	-43.2	171.1	-64.9	0	0	0	0	111.7	V1172 D1173 L1180 L1204 M1208 L1212	V1172-T1176 HydrophobicContact CB-CG2 3.97Å; V1172-T1176 HydrophobicContact CG1-CG2 4.07Å; V1172-T1176 HydrophobicContact CG2-CG2 4.49Å; D1173-T1176 WeakPolarHBondContact O-CB 3.47Å; D1173-T1176 PolarHBondContact O-N 3.45Å; D1173-T1176 WeakPolarHBondContact OD1-CB 3.37Å; D1173-T1176 PolarHBondContact OD1-N 3.3Å; D1173-T1176 PolarHBondContact OD1-OG1 2.82Å; T1176-L1180 HydrophobicContact CG2-CD1 4.26Å; T1176-L1180 WeakPolarHBondContact O-CG 3.43Å; T1176-L1180 PolarHBondContact O-N 3.44Å; T1176-L1204 HydrophobicContact CG2-CD1 3.93Å; T1176-L1204 HydrophobicContact CG2-CD2 3.85Å; T1176-M1208 HydrophobicContact CG2-CB 4.47Å; T1176-M1208 WeakPolarHBondContact OG1-CB 3.31Å; T1176-L1212 HydrophobicContact CG2-CD2 4.48Å
1177	I	79.4	Confident	77.1	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.015	32%	0.321	C	S	.	.	H	α-helix	trans	-62.4	-51.1	175.6	-63.7	174.1	0	0	0	110.4	V1164 L1167 K1168 V1172 D1173 Q1174 D1175 K1179 L1180 L1181	V1164-I1177 HydrophobicContact CG2-CG2 4.06Å; L1167-I1177 HydrophobicContact CB-CD1 4.08Å; L1167-I1177 HydrophobicContact CB-CG1 3.82Å; L1167-I1177 HydrophobicContact CD1-CB 4.39Å; L1167-I1177 HydrophobicContact CD1-CG1 4.08Å; L1167-I1177 HydrophobicContact CD1-CG2 4.21Å; K1168-I1177 HydrophobicContact CG-CD1 3.77Å; V1172-I1177 HydrophobicContact CG2-CD1 4.47Å; V1172-I1177 HydrophobicContact CG2-CG1 4.16Å; D1173-I1177 PolarHBondContact O-N 3.28Å; Q1174-I1177 PolarHBondContact O-N 2.88Å; D1175-I1177 VanDerWaalsContact C-N 3.28Å; D1175-I1177 PolarHBondContact O-N 3.14Å; I1177-K1179 VanDerWaalsContact C-N 3.3Å; I1177-K1179 PolarHBondContact O-N 3.43Å; I1177-L1180 PolarHBondContact O-N 3.01Å; I1177-L1181 HydrophobicContact CG2-CG 4.48Å; I1177-L1181 WeakPolarHBondContact O-CG 3.34Å; I1177-L1181 PolarHBondContact O-N 3.3Å; I1177-L1181 VanDerWaalsContact O-N 3.08Å
1178	N	75.6	Confident	77	Confident	86 Å²	86	64.4 Å²	64.4	46%	0.46	35%	0.347	S	S	.	.	H	α-helix	trans	-60.1	-38.7	-177.3	-67.8	-5.1	0	0	0	112.2	Q1174 D1175 L1181 A1182	Q1174-N1178 PolarHBondContact NE2-OD1 3.32Å; Q1174-N1178 WeakPolarHBondContact O-CB 3.33Å; Q1174-N1178 PolarHBondContact O-N 3.15Å; Q1174-N1178 PolarHBondContact O-ND2 3.25Å; Q1174-N1178 PolarHBondContact O-OD1 2.99Å; Q1174-N1178 VanDerWaalsContact O-OD1 3.11Å; D1175-N1178 PolarHBondContact O-N 3.18Å; D1175-N1178 VanDerWaalsContact O-N 3.16Å; N1178-L1181 PolarHBondContact O-N 3Å; N1178-A1182 WeakPolarHBondContact O-CB 3.07Å; N1178-A1182 PolarHBondContact O-N 2.96Å
1179	K	78.4	Confident	76.8	Confident	72 Å²	72	60.5 Å²	60.5	31%	0.313	34%	0.335	S	S	.	.	H	α-helix	trans	-64.3	-44.8	176	-75.6	168.1	177.4	165.8	0	112.7	D1175 I1177 L1181 A1182 H1183 L1204	D1175-K1179 WeakPolarHBondContact O-CG 3.5Å; D1175-K1179 PolarHBondContact O-N 3.44Å; D1175-K1179 WeakPolarHBondContact OD1-CE 3.39Å; D1175-K1179 IonicContact OD1-NZ 3.25Å; D1175-K1179 PolarHBondContact OD1-NZ 3.3Å; D1175-K1179 WeakPolarHBondContact OD2-CE 3.19Å; D1175-K1179 IonicContact OD2-NZ 2.8Å; D1175-K1179 PolarHBondContact OD2-NZ 3.39Å; I1177-K1179 VanDerWaalsContact C-N 3.3Å; I1177-K1179 PolarHBondContact O-N 3.43Å; K1179-L1181 VanDerWaalsContact C-N 3.28Å; K1179-L1181 PolarHBondContact O-N 2.84Å; K1179-A1182 PolarHBondContact O-N 2.8Å; K1179-H1183 PolarHBondContact O-CD2 2.93Å; K1179-H1183 PolarHBondContact O-N 3.39Å; K1179-L1204 HydrophobicContact CB-CD2 4.13Å; K1179-L1204 HydrophobicContact CD-CD2 4.05Å
1180	L	77.4	Confident	76.8	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64.5	-33.4	176.7	-69.7	167.4	0	0	0	112.6	L1167 T1176 I1177 E1184 F1185 L1190 L1199 L1204 L1212	L1167-L1180 HydrophobicContact CD1-CB 4.41Å; L1167-L1180 HydrophobicContact CD1-CD1 3.8Å; L1167-L1180 HydrophobicContact CD2-CD1 3.98Å; T1176-L1180 HydrophobicContact CG2-CD1 4.26Å; T1176-L1180 WeakPolarHBondContact O-CG 3.43Å; T1176-L1180 PolarHBondContact O-N 3.44Å; I1177-L1180 PolarHBondContact O-N 3.01Å; L1180-E1184 PolarHBondContact O-N 3.24Å; L1180-F1185 HydrophobicContact CD2-CD2 4.46Å; L1180-F1185 PolarHBondContact O-N 2.78Å; L1180-L1190 HydrophobicContact CD1-CD2 4.38Å; L1180-L1190 HydrophobicContact CD2-CD1 4.02Å; L1180-L1199 HydrophobicContact CD2-CD2 4.11Å; L1180-L1204 HydrophobicContact CD1-CD1 4.13Å; L1180-L1204 HydrophobicContact CD2-CD1 3.88Å; L1180-L1204 HydrophobicContact CG-CD1 3.98Å; L1180-L1212 HydrophobicContact CD1-CD2 3.64Å
1181	L	76.3	Confident	76.9	Confident	51 Å²	51	56 Å²	56	27%	0.267	30%	0.304	S	S	.	.	H	α-helix	trans	-71	-38.1	172.2	-60.9	-166.2	0	0	0	112.7	T1160 L1163 V1164 I1177 N1178 K1179 H1183 E1184	T1160-L1181 HydrophobicContact CG2-CD1 3.88Å; T1160-L1181 HydrophobicContact CG2-CD2 3.76Å; T1160-L1181 HydrophobicContact CG2-CG 4.36Å; L1163-L1181 HydrophobicContact CD2-CD2 3.87Å; L1163-L1181 HydrophobicContact CG-CD2 4.38Å; V1164-L1181 HydrophobicContact CG2-CD1 3.67Å; V1164-L1181 HydrophobicContact CG2-CD2 4.04Å; V1164-L1181 HydrophobicContact CG2-CG 4.29Å; I1177-L1181 HydrophobicContact CG2-CG 4.48Å; I1177-L1181 WeakPolarHBondContact O-CG 3.34Å; I1177-L1181 PolarHBondContact O-N 3.3Å; I1177-L1181 VanDerWaalsContact O-N 3.08Å; N1178-L1181 PolarHBondContact O-N 3Å; K1179-L1181 VanDerWaalsContact C-N 3.28Å; K1179-L1181 PolarHBondContact O-N 2.84Å; L1181-H1183 VanDerWaalsContact C-N 3.25Å; L1181-H1183 PolarHBondContact O-N 3.14Å; L1181-E1184 PolarHBondContact O-N 3.35Å
1182	A	76.1	Confident	76.6	Confident	82 Å²	82	57.1 Å²	57.1	68%	0.678	30%	0.301	S	S	*	.	H	α-helix	trans	-67.9	-25.4	177.6	0	0	0	0	0	113	N1178 K1179 E1184	N1178-A1182 WeakPolarHBondContact O-CB 3.07Å; N1178-A1182 PolarHBondContact O-N 2.96Å; K1179-A1182 PolarHBondContact O-N 2.8Å; A1182-E1184 VanDerWaalsContact C-N 3.34Å
1183	H	73.4	Confident	76	Confident	90 Å²	90	63.1 Å²	63.1	42%	0.417	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	14.8	170.5	-69.2	-67.9	0	0	0	113.6	K1179 L1181 F1185	K1179-H1183 PolarHBondContact O-CD2 2.93Å; K1179-H1183 PolarHBondContact O-N 3.39Å; L1181-H1183 VanDerWaalsContact C-N 3.25Å; L1181-H1183 PolarHBondContact O-N 3.14Å; H1183-F1185 HydrophobicContact CB-CD2 3.87Å; H1183-F1185 HydrophobicContact CB-CE2 3.97Å; H1183-F1185 WeakPolarHBondContact O-CD2 3.38Å; H1183-F1185 PolarHBondContact O-N 2.81Å
1184	E	75.3	Confident	75.7	Confident	175 Å²	175	60 Å²	60	82%	0.818	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	27.8	174	-56.5	-161.9	143.9	0	0	116.1	L1180 L1181 A1182 T1186	L1180-E1184 PolarHBondContact O-N 3.24Å; L1181-E1184 PolarHBondContact O-N 3.35Å; A1182-E1184 VanDerWaalsContact C-N 3.34Å; E1184-T1186 PolarHBondContact O-N 3.44Å
1185	F	72.8	Confident	75.6	Confident	46 Å²	46	58 Å²	58	20%	0.202	31%	0.309	C	S	.	.			trans	-62.8	136.1	175.1	-84.6	-101.7	0	0	0	111	L1163 L1180 H1183 L1190 A1194 D1198 C1202	L1163-F1185 HydrophobicContact CD2-CB 4.3Å; L1163-F1185 WeakPolarHBondContact CD2-O 3.48Å; L1180-F1185 HydrophobicContact CD2-CD2 4.46Å; L1180-F1185 PolarHBondContact O-N 2.78Å; H1183-F1185 HydrophobicContact CB-CD2 3.87Å; H1183-F1185 HydrophobicContact CB-CE2 3.97Å; H1183-F1185 WeakPolarHBondContact O-CD2 3.38Å; H1183-F1185 PolarHBondContact O-N 2.81Å; F1185-L1190 HydrophobicContact CD1-CB 4.31Å; F1185-L1190 HydrophobicContact CD1-CD1 3.65Å; F1185-L1190 HydrophobicContact CE1-CD1 4.18Å; F1185-L1190 HydrophobicContact CG-CD1 4.23Å; F1185-A1194 HydrophobicContact CE1-CB 4.13Å; F1185-D1198 HydrophobicContact CZ-CB 4.33Å; F1185-C1202 WeakPolarHBondContact CE2-SG 3.44Å
1186	T	77.1	Confident	75.5	Confident	39 Å²	39	60.3 Å²	60.3	24%	0.239	31%	0.312	C	S	.	.			trans	-89.5	159.1	163.7	72.3	0	0	0	0	109.8	E1184 D1188 C1189 L1190	E1184-T1186 PolarHBondContact O-N 3.44Å; T1186-D1188 PolarHBondContact O-N 2.85Å; T1186-C1189 WeakPolarHBondContact OG1-CB 3.49Å; T1186-C1189 PolarHBondContact OG1-N 2.7Å; T1186-C1189 VanDerWaalsContact OG1-N 3.16Å; T1186-C1189 PolarHBondContact OG1-SG 3.27Å; T1186-L1190 WeakPolarHBondContact O-CB 3.26Å; T1186-L1190 PolarHBondContact O-N 2.8Å
1187	L	78.2	Confident	75.1	Confident	24 Å²	24	67.6 Å²	67.6	13%	0.126	35%	0.346	C	S	.	.	H	α-helix	trans	-61.6	-34.4	176.4	-177.5	59.5	0	0	0	112.1	L1163 W1166 L1191	L1163-L1187 HydrophobicContact CB-CB 4.14Å; L1163-L1187 HydrophobicContact CD1-CB 4.3Å; L1163-L1187 HydrophobicContact CD1-CD1 3.84Å; W1166-L1187 HydrophobicContact CB-CD1 3.73Å; W1166-L1187 HydrophobicContact CB-CD2 4.02Å; W1166-L1187 HydrophobicContact CD2-CD1 3.72Å; W1166-L1187 HydrophobicContact CE3-CD1 3.45Å; W1166-L1187 VanDerWaalsContact CE3-CD1 3.45Å; W1166-L1187 HydrophobicContact CG-CD1 3.84Å; W1166-L1187 HydrophobicContact CZ3-CD1 4.36Å; L1187-L1191 HydrophobicContact CD1-CD1 3.71Å; L1187-L1191 HydrophobicContact CD1-CG 4.01Å; L1187-L1191 HydrophobicContact CG-CD1 3.82Å; L1187-L1191 HydrophobicContact CG-CG 4.45Å; L1187-L1191 WeakPolarHBondContact O-CB 3.44Å; L1187-L1191 WeakPolarHBondContact O-CG 3.47Å; L1187-L1191 PolarHBondContact O-N 3.47Å
1188	D	75.7	Confident	74.8	Confident	102 Å²	102	70.7 Å²	70.7	55%	0.545	36%	0.362	S	S	.	.	H	α-helix	trans	-71.6	-49.5	-179.5	-163.1	70.6	0	0	0	111.7	T1186 L1190 L1191 H1192	T1186-D1188 PolarHBondContact O-N 2.85Å; D1188-L1190 VanDerWaalsContact C-N 3.29Å; D1188-L1190 PolarHBondContact O-N 3.27Å; D1188-L1191 PolarHBondContact O-N 3.42Å; D1188-L1191 VanDerWaalsContact O-N 3.11Å; D1188-H1192 PolarHBondContact O-N 3.05Å; D1188-H1192 IonicContact OD1-CD2 3.73Å; D1188-H1192 PolarHBondContact OD1-CD2 3.48Å
1189	C	74.4	Confident	74.8	Confident	48 Å²	48	66.6 Å²	66.6	32%	0.324	34%	0.34	S	S	.	.	I	π-helix	trans	-55.8	-44.6	174.1	-69	0	0	0	0	111.5	T1186 L1191 M1193 A1194	T1186-C1189 WeakPolarHBondContact OG1-CB 3.49Å; T1186-C1189 PolarHBondContact OG1-N 2.7Å; T1186-C1189 VanDerWaalsContact OG1-N 3.16Å; T1186-C1189 PolarHBondContact OG1-SG 3.27Å; C1189-L1191 VanDerWaalsContact C-N 3.34Å; C1189-L1191 PolarHBondContact O-N 3.45Å; C1189-M1193 CarbonylContact O-C 3.6Å; C1189-M1193 PolarHBondContact O-N 3.43Å; C1189-A1194 PolarHBondContact O-N 3.36Å
1190	L	78.3	Confident	74.5	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.342	C	S	.	.	I	π-helix	trans	-64.5	-36.9	179	-163.7	74.2	0	0	0	112.6	L1163 W1166 L1167 L1180 F1185 T1186 D1188 A1194 L1199 I1216	L1163-L1190 HydrophobicContact CD1-CD2 3.71Å; W1166-L1190 HydrophobicContact CZ3-CD2 3.99Å; L1167-L1190 HydrophobicContact CD2-CD2 4.13Å; L1180-L1190 HydrophobicContact CD1-CD2 4.38Å; L1180-L1190 HydrophobicContact CD2-CD1 4.02Å; F1185-L1190 HydrophobicContact CD1-CB 4.31Å; F1185-L1190 HydrophobicContact CD1-CD1 3.65Å; F1185-L1190 HydrophobicContact CE1-CD1 4.18Å; F1185-L1190 HydrophobicContact CG-CD1 4.23Å; T1186-L1190 WeakPolarHBondContact O-CB 3.26Å; T1186-L1190 PolarHBondContact O-N 2.8Å; D1188-L1190 VanDerWaalsContact C-N 3.29Å; D1188-L1190 PolarHBondContact O-N 3.27Å; L1190-A1194 HydrophobicContact CD1-CB 4.45Å; L1190-L1199 HydrophobicContact CD1-CD2 3.67Å; L1190-I1216 HydrophobicContact CD1-CD1 4.47Å; L1190-I1216 HydrophobicContact CG-CD1 4.06Å
1191	L	78.4	Confident	74.2	Confident	9 Å²	9	75.5 Å²	75.5	5%	0.047	38%	0.38	C	S	.	.	I	π-helix	trans	-84.6	-32	-177.7	-72.7	175.9	0	0	0	114.1	W1166 L1187 D1188 C1189 I1216 R1219 R1220	W1166-L1191 HydrophobicContact CH2-CD2 3.79Å; W1166-L1191 HydrophobicContact CZ2-CD2 3.89Å; W1166-L1191 HydrophobicContact CZ3-CD2 4.13Å; L1187-L1191 HydrophobicContact CD1-CD1 3.71Å; L1187-L1191 HydrophobicContact CD1-CG 4.01Å; L1187-L1191 HydrophobicContact CG-CD1 3.82Å; L1187-L1191 HydrophobicContact CG-CG 4.45Å; L1187-L1191 WeakPolarHBondContact O-CB 3.44Å; L1187-L1191 WeakPolarHBondContact O-CG 3.47Å; L1187-L1191 PolarHBondContact O-N 3.47Å; D1188-L1191 PolarHBondContact O-N 3.42Å; D1188-L1191 VanDerWaalsContact O-N 3.11Å; C1189-L1191 VanDerWaalsContact C-N 3.34Å; C1189-L1191 PolarHBondContact O-N 3.45Å; L1191-I1216 HydrophobicContact CD2-CG1 4.3Å; L1191-R1219 HydrophobicContact CD2-CB 4.46Å; L1191-R1220 PolarHBondContact O-NE 2.87Å; L1191-R1220 PolarHBondContact O-NH2 3.02Å; L1191-R1220 VanDerWaalsContact O-NH2 3.11Å
1192	H	69.8	Low	73.7	Confident	108 Å²	108	73.2 Å²	73.2	50%	0.5	37%	0.368	S	S	.	.	I	π-helix	trans	-113.8	-33.8	-170.8	-68.1	-76.3	0	0	0	114.4	D1188	D1188-H1192 PolarHBondContact O-N 3.05Å; D1188-H1192 IonicContact OD1-CD2 3.73Å; D1188-H1192 PolarHBondContact OD1-CD2 3.48Å
1193	M	67.5	Low	73.1	Confident	148 Å²	148	71.2 Å²	71.2	73%	0.729	36%	0.355	S	S	*	.	I	π-helix	trans	-105.5	-37.5	-174.3	-63.3	-178.1	67.2	0	0	113.8	C1189 S1195	C1189-M1193 CarbonylContact O-C 3.6Å; C1189-M1193 PolarHBondContact O-N 3.43Å; M1193-S1195 PolarHBondContact O-N 3.03Å
1194	A	74.1	Confident	73	Confident	5 Å²	5	67.2 Å²	67.2	4%	0.041	34%	0.337	C	S	.	.			trans	-60.5	134.9	-173.1	0	0	0	0	0	112.4	F1185 C1189 L1190 W1213 R1220	F1185-A1194 HydrophobicContact CE1-CB 4.13Å; C1189-A1194 PolarHBondContact O-N 3.36Å; L1190-A1194 HydrophobicContact CD1-CB 4.45Å; A1194-W1213 WeakPolarHBondContact O-CH2 3.35Å; A1194-W1213 WeakPolarHBondContact O-CZ3 3.2Å; A1194-R1220 PolarHBondContact O-NH1 3.16Å; A1194-R1220 PolarHBondContact O-NH2 3.25Å
1195	S	75.6	Confident	72.6	Confident	44 Å²	44	68 Å²	68	31%	0.308	33%	0.332	S	S	.	.			trans	-86.7	175.3	168	76.7	0	0	0	0	111	M1193 E1197 D1198 W1213	M1193-S1195 PolarHBondContact O-N 3.03Å; S1195-E1197 VanDerWaalsContact C-N 3.25Å; S1195-E1197 PolarHBondContact OG-N 2.82Å; S1195-E1197 VanDerWaalsContact OG-N 3.17Å; S1195-D1198 WeakPolarHBondContact CA-OD2 3.23Å; S1195-D1198 VanDerWaalsContact CB-OD2 3.24Å; S1195-D1198 WeakPolarHBondContact CB-OD2 3.43Å; S1195-D1198 PolarHBondContact N-OD2 3.37Å; S1195-D1198 VanDerWaalsContact OG-CG 3.24Å; S1195-D1198 PolarHBondContact OG-N 3.3Å; S1195-D1198 VanDerWaalsContact OG-N 3.17Å; S1195-D1198 PolarHBondContact OG-OD2 3.48Å; S1195-W1213 VanDerWaalsContact C-CH2 3.46Å; S1195-W1213 WeakPolarHBondContact O-CZ3 3.31Å
1196	R	72.6	Confident	72.5	Confident	130 Å²	130	68 Å²	68	49%	0.491	35%	0.346	S	S	.	.	H	α-helix	trans	-69.8	-27.2	171.8	-167.8	179.6	179.1	-162	1	112	V1200 W1213	R1196-V1200 PolarHBondContact O-N 2.8Å; R1196-W1213 HydrophobicContact CB-CD2 4Å; R1196-W1213 HydrophobicContact CB-CE3 4.33Å; R1196-W1213 HydrophobicContact CB-CH2 4.37Å; R1196-W1213 HydrophobicContact CB-CZ2 4.03Å; R1196-W1213 HydrophobicContact CG-CD2 4.15Å; R1196-W1213 HydrophobicContact CG-CG 4.16Å
1197	E	71.3	Confident	72	Confident	158 Å²	158	69 Å²	69	74%	0.738	36%	0.358	S	S	*	.	H	α-helix	trans	-77.3	-34.5	-176.5	-71.9	161.5	-154	0	0	111.4	S1195 L1199 V1200 Y1201	S1195-E1197 VanDerWaalsContact C-N 3.25Å; S1195-E1197 PolarHBondContact OG-N 2.82Å; S1195-E1197 VanDerWaalsContact OG-N 3.17Å; E1197-L1199 VanDerWaalsContact C-N 3.26Å; E1197-L1199 PolarHBondContact O-N 3.37Å; E1197-V1200 WeakPolarHBondContact O-CA 3.22Å; E1197-V1200 WeakPolarHBondContact O-CB 3.39Å; E1197-V1200 PolarHBondContact O-N 3Å; E1197-Y1201 PolarHBondContact O-N 3.35Å
1198	D	71.8	Confident	71.8	Confident	67 Å²	67	69.6 Å²	69.6	36%	0.358	36%	0.36	S	S	.	.	H	α-helix	trans	-59.7	-36.6	172.4	-57.8	-57	0	0	0	112.1	F1185 S1195 Y1201 C1202	F1185-D1198 HydrophobicContact CZ-CB 4.33Å; S1195-D1198 WeakPolarHBondContact CA-OD2 3.23Å; S1195-D1198 VanDerWaalsContact CB-OD2 3.24Å; S1195-D1198 WeakPolarHBondContact CB-OD2 3.43Å; S1195-D1198 PolarHBondContact N-OD2 3.37Å; S1195-D1198 VanDerWaalsContact OG-CG 3.24Å; S1195-D1198 PolarHBondContact OG-N 3.3Å; S1195-D1198 VanDerWaalsContact OG-N 3.17Å; S1195-D1198 PolarHBondContact OG-OD2 3.48Å; D1198-Y1201 WeakPolarHBondContact O-CB 3.27Å; D1198-Y1201 PolarHBondContact O-N 3.13Å; D1198-C1202 PolarHBondContact O-N 3.43Å; D1198-C1202 PolarHBondContact O-SG 3.07Å
1199	L	75.5	Confident	72	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-69.2	-35.8	174.9	-58.1	-176.1	0	0	0	112.2	L1180 L1190 E1197 Y1201 C1202 L1204 M1209 L1212 W1213 I1216	L1180-L1199 HydrophobicContact CD2-CD2 4.11Å; L1190-L1199 HydrophobicContact CD1-CD2 3.67Å; E1197-L1199 VanDerWaalsContact C-N 3.26Å; E1197-L1199 PolarHBondContact O-N 3.37Å; L1199-Y1201 VanDerWaalsContact C-N 3.32Å; L1199-C1202 PolarHBondContact O-N 3.13Å; L1199-L1204 HydrophobicContact CD2-CD1 4.46Å; L1199-L1204 VanDerWaalsContact O-CB 3.3Å; L1199-L1204 WeakPolarHBondContact O-CB 2.91Å; L1199-L1204 PolarHBondContact O-N 3.41Å; L1199-L1204 VanDerWaalsContact O-N 3.17Å; L1199-M1209 HydrophobicContact CB-CG 4.14Å; L1199-L1212 HydrophobicContact CD1-CD2 4.17Å; L1199-L1212 HydrophobicContact CD1-CG 4.39Å; L1199-L1212 HydrophobicContact CD2-CD2 4.21Å; L1199-W1213 HydrophobicContact CD1-CB 4.39Å; L1199-W1213 HydrophobicContact CD1-CE3 3.74Å; L1199-I1216 HydrophobicContact CD1-CD1 4.07Å
1200	V	72.6	Confident	71.8	Confident	59 Å²	59	65.6 Å²	65.6	36%	0.358	34%	0.339	S	S	.	.	H	α-helix	trans	-66.1	-38.2	173	176.7	0	0	0	0	110.7	R1196 E1197 C1202 G1203 M1209	R1196-V1200 PolarHBondContact O-N 2.8Å; E1197-V1200 WeakPolarHBondContact O-CA 3.22Å; E1197-V1200 WeakPolarHBondContact O-CB 3.39Å; E1197-V1200 PolarHBondContact O-N 3Å; V1200-C1202 VanDerWaalsContact C-N 3.35Å; V1200-G1203 PolarHBondContact O-N 3.07Å; V1200-G1203 VanDerWaalsContact O-N 3.11Å; V1200-M1209 HydrophobicContact CG2-SD 3.43Å; V1200-M1209 WeakPolarHBondContact CG2-SD 3.5Å
1201	Y	70.9	Confident	71.8	Confident	200 Å²	200	71.4 Å²	71.4	78%	0.784	36%	0.361	S	S	*	.	H	α-helix	trans	-64.3	-37.5	175.9	-171.5	-93.7	0	0	0	112	E1197 D1198 L1199 G1203	E1197-Y1201 PolarHBondContact O-N 3.35Å; D1198-Y1201 WeakPolarHBondContact O-CB 3.27Å; D1198-Y1201 PolarHBondContact O-N 3.13Å; L1199-Y1201 VanDerWaalsContact C-N 3.32Å; Y1201-G1203 PolarHBondContact O-N 2.95Å
1202	C	65.9	Low	72	Confident	4 Å²	4	71 Å²	71	3%	0.027	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	10.1	170.6	-62.9	0	0	0	0	114.7	F1185 D1198 L1199 V1200 L1204	F1185-C1202 WeakPolarHBondContact CE2-SG 3.44Å; D1198-C1202 PolarHBondContact O-N 3.43Å; D1198-C1202 PolarHBondContact O-SG 3.07Å; L1199-C1202 PolarHBondContact O-N 3.13Å; V1200-C1202 VanDerWaalsContact C-N 3.35Å; C1202-L1204 HydrophobicContact CB-CG 4.26Å; C1202-L1204 PolarHBondContact O-N 2.82Å
1203	G	63.7	Low	72.7	Confident	40 Å²	40	68.4 Å²	68.4	41%	0.412	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	8	-178.7	0	0	0	0	0	114.8	V1200 Y1201 R1205	V1200-G1203 PolarHBondContact O-N 3.07Å; V1200-G1203 VanDerWaalsContact O-N 3.11Å; Y1201-G1203 PolarHBondContact O-N 2.95Å; G1203-R1205 PolarHBondContact O-N 3.14Å
1204	L	71.4	Confident	73.4	Confident	5 Å²	5	65 Å²	65	3%	0.026	33%	0.332	C	S	.	.			trans	-80	119.8	177.1	-52.1	-178.3	0	0	0	109.4	T1176 K1179 L1180 L1199 C1202 M1209 L1212	T1176-L1204 HydrophobicContact CG2-CD1 3.93Å; T1176-L1204 HydrophobicContact CG2-CD2 3.85Å; K1179-L1204 HydrophobicContact CB-CD2 4.13Å; K1179-L1204 HydrophobicContact CD-CD2 4.05Å; L1180-L1204 HydrophobicContact CD1-CD1 4.13Å; L1180-L1204 HydrophobicContact CD2-CD1 3.88Å; L1180-L1204 HydrophobicContact CG-CD1 3.98Å; L1199-L1204 HydrophobicContact CD2-CD1 4.46Å; L1199-L1204 VanDerWaalsContact O-CB 3.3Å; L1199-L1204 WeakPolarHBondContact O-CB 2.91Å; L1199-L1204 PolarHBondContact O-N 3.41Å; L1199-L1204 VanDerWaalsContact O-N 3.17Å; C1202-L1204 HydrophobicContact CB-CG 4.26Å; C1202-L1204 PolarHBondContact O-N 2.82Å; L1204-M1209 HydrophobicContact CB-CB 4.1Å; L1204-L1212 HydrophobicContact CD1-CD2 3.93Å
1205	R	66.3	Low	73.7	Confident	191 Å²	191	66 Å²	66	72%	0.721	34%	0.34	S	S	*	.			trans	-134.1	157.1	-176.8	-62.3	-175.3	-179.2	-177.1	0.7	111.3	G1203	G1203-R1205 PolarHBondContact O-N 3.14Å
1206	G	72.4	Confident	74	Confident	48 Å²	48	63.9 Å²	63.9	50%	0.495	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	-136.3	177.6	0	0	0	0	0	114	M1208 M1209 C1210	G1206-M1208 PolarHBondContact O-N 3.46Å; G1206-M1209 PolarHBondContact O-N 3.35Å; G1206-C1210 PolarHBondContact O-N 3.11Å; G1206-C1210 PolarHBondContact O-SG 3.41Å
1207	A	65.6	Low	74.4	Confident	58 Å²	58	59.6 Å²	59.6	48%	0.479	31%	0.314	S	S	.	.	H	α-helix	trans	-64.3	-38.7	-164.6	0	0	0	0	0	114.7	C1210 R1211	A1207-C1210 PolarHBondContact O-N 3.47Å; A1207-R1211 WeakPolarHBondContact O-CG 3.15Å; A1207-R1211 PolarHBondContact O-N 2.75Å
1208	M	74.9	Confident	74.8	Confident	37 Å²	37	55.4 Å²	55.4	18%	0.182	30%	0.297	C	S	.	.	H	α-helix	trans	-69	-43.6	-178.5	-63.2	-49.5	125.1	0	0	112.1	D1173 T1176 G1206 C1210 R1211 L1212	D1173-M1208 VanDerWaalsContact OD2-CG 3.26Å; D1173-M1208 WeakPolarHBondContact OD2-CG 3.35Å; T1176-M1208 HydrophobicContact CG2-CB 4.47Å; T1176-M1208 WeakPolarHBondContact OG1-CB 3.31Å; G1206-M1208 PolarHBondContact O-N 3.46Å; M1208-C1210 VanDerWaalsContact C-N 3.31Å; M1208-C1210 PolarHBondContact O-N 3.27Å; M1208-R1211 PolarHBondContact O-N 3.07Å; M1208-L1212 VanDerWaalsContact O-CB 3.31Å; M1208-L1212 WeakPolarHBondContact O-CB 3.19Å; M1208-L1212 PolarHBondContact O-N 3.48Å
1209	M	79.1	Confident	74.9	Confident	15 Å²	15	57.7 Å²	57.7	7%	0.074	30%	0.3	C	S	.	.	H	α-helix	trans	-56.5	-45.3	172.9	-178.4	-157	66.3	0	0	111.1	L1199 V1200 L1204 G1206 L1212 W1213	L1199-M1209 HydrophobicContact CB-CG 4.14Å; V1200-M1209 HydrophobicContact CG2-SD 3.43Å; V1200-M1209 WeakPolarHBondContact CG2-SD 3.5Å; L1204-M1209 HydrophobicContact CB-CB 4.1Å; G1206-M1209 PolarHBondContact O-N 3.35Å; M1209-L1212 PolarHBondContact O-N 2.8Å; M1209-W1213 VanDerWaalsContact O-CB 3.24Å; M1209-W1213 WeakPolarHBondContact O-CB 3.45Å; M1209-W1213 PolarHBondContact O-N 2.97Å
1210	C	71.1	Confident	75.1	Confident	52 Å²	52	61 Å²	61	35%	0.351	31%	0.313	S	S	.	.	H	α-helix	trans	-65.3	-44.5	178.6	-67.5	0	0	0	0	112.4	G1206 A1207 M1208 L1212 W1213 T1214	G1206-C1210 PolarHBondContact O-N 3.11Å; G1206-C1210 PolarHBondContact O-SG 3.41Å; A1207-C1210 PolarHBondContact O-N 3.47Å; M1208-C1210 VanDerWaalsContact C-N 3.31Å; M1208-C1210 PolarHBondContact O-N 3.27Å; C1210-L1212 PolarHBondContact O-N 3.38Å; C1210-W1213 PolarHBondContact O-N 3.02Å; C1210-T1214 WeakPolarHBondContact O-CB 3.44Å; C1210-T1214 PolarHBondContact O-N 3.07Å; C1210-T1214 PolarHBondContact O-OG1 3.13Å; C1210-T1214 VanDerWaalsContact O-OG1 3.07Å
1211	R	78.3	Confident	74.9	Confident	121 Å²	121	63.5 Å²	63.5	46%	0.457	32%	0.319	S	S	.	.	H	α-helix	trans	-60.5	-45.4	176	-71.9	173.9	-177.7	-172.7	1.8	112.2	P1171 A1207 M1208 T1214 A1215	P1171-R1211 WeakPolarHBondContact O-CD 3.34Å; P1171-R1211 PolarHBondContact O-NH1 3.42Å; A1207-R1211 WeakPolarHBondContact O-CG 3.15Å; A1207-R1211 PolarHBondContact O-N 2.75Å; M1208-R1211 PolarHBondContact O-N 3.07Å; R1211-T1214 PolarHBondContact O-N 3.11Å; R1211-A1215 PolarHBondContact O-N 3.45Å
1212	L	81.6	Confident	74.6	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-63.4	-47.1	177.8	-178.5	61.1	0	0	0	111.2	W1166 L1167 V1172 T1176 L1180 L1199 L1204 M1208 M1209 C1210 T1214 A1215 I1216	W1166-L1212 HydrophobicContact CH2-CD1 4.03Å; W1166-L1212 HydrophobicContact CZ3-CD1 3.84Å; L1167-L1212 HydrophobicContact CD2-CD1 3.5Å; L1167-L1212 VanDerWaalsContact CD2-CD1 3.5Å; V1172-L1212 HydrophobicContact CG1-CB 4.06Å; T1176-L1212 HydrophobicContact CG2-CD2 4.48Å; L1180-L1212 HydrophobicContact CD1-CD2 3.64Å; L1199-L1212 HydrophobicContact CD1-CD2 4.17Å; L1199-L1212 HydrophobicContact CD1-CG 4.39Å; L1199-L1212 HydrophobicContact CD2-CD2 4.21Å; L1204-L1212 HydrophobicContact CD1-CD2 3.93Å; M1208-L1212 VanDerWaalsContact O-CB 3.31Å; M1208-L1212 WeakPolarHBondContact O-CB 3.19Å; M1208-L1212 PolarHBondContact O-N 3.48Å; M1209-L1212 PolarHBondContact O-N 2.8Å; C1210-L1212 PolarHBondContact O-N 3.38Å; L1212-T1214 PolarHBondContact O-N 2.91Å; L1212-A1215 PolarHBondContact O-N 2.75Å; L1212-I1216 HydrophobicContact CD1-CD1 4.35Å; L1212-I1216 HydrophobicContact CG-CD1 4Å; L1212-I1216 WeakPolarHBondContact O-CG1 3.29Å; L1212-I1216 PolarHBondContact O-N 2.79Å
1213	W	84.3	Confident	74.2	Confident	55 Å²	55	61.1 Å²	61.1	21%	0.208	33%	0.328	C	S	.	.	H	α-helix	trans	-64.3	-38.5	178.9	-171.3	-109.4	0	0	0	112.5	A1194 S1195 R1196 L1199 M1209 C1210 I1216 T1217	A1194-W1213 WeakPolarHBondContact O-CH2 3.35Å; A1194-W1213 WeakPolarHBondContact O-CZ3 3.2Å; S1195-W1213 VanDerWaalsContact C-CH2 3.46Å; S1195-W1213 WeakPolarHBondContact O-CZ3 3.31Å; R1196-W1213 HydrophobicContact CB-CD2 4Å; R1196-W1213 HydrophobicContact CB-CE3 4.33Å; R1196-W1213 HydrophobicContact CB-CH2 4.37Å; R1196-W1213 HydrophobicContact CB-CZ2 4.03Å; R1196-W1213 HydrophobicContact CG-CD2 4.15Å; R1196-W1213 HydrophobicContact CG-CG 4.16Å; L1199-W1213 HydrophobicContact CD1-CB 4.39Å; L1199-W1213 HydrophobicContact CD1-CE3 3.74Å; M1209-W1213 VanDerWaalsContact O-CB 3.24Å; M1209-W1213 WeakPolarHBondContact O-CB 3.45Å; M1209-W1213 PolarHBondContact O-N 2.97Å; C1210-W1213 PolarHBondContact O-N 3.02Å; W1213-I1216 HydrophobicContact CE3-CD1 4.07Å; W1213-I1216 HydrophobicContact CE3-CG2 4.47Å; W1213-I1216 HydrophobicContact CZ3-CD1 4.46Å; W1213-I1216 HydrophobicContact CZ3-CG2 4.28Å; W1213-I1216 PolarHBondContact O-N 2.87Å; W1213-T1217 VanDerWaalsContact O-CB 3.29Å; W1213-T1217 WeakPolarHBondContact O-CB 3.3Å; W1213-T1217 PolarHBondContact O-N 3.22Å; W1213-T1217 PolarHBondContact O-OG1 3.27Å
1214	T	81.8	Confident	73.7	Confident	76 Å²	76	64.3 Å²	64.3	47%	0.466	34%	0.335	S	S	.	.	H	α-helix	trans	-60	-48.3	170.5	-64.1	0	0	0	0	110.9	C1210 R1211 L1212 I1216 T1217 D1218	C1210-T1214 WeakPolarHBondContact O-CB 3.44Å; C1210-T1214 PolarHBondContact O-N 3.07Å; C1210-T1214 PolarHBondContact O-OG1 3.13Å; C1210-T1214 VanDerWaalsContact O-OG1 3.07Å; R1211-T1214 PolarHBondContact O-N 3.11Å; L1212-T1214 PolarHBondContact O-N 2.91Å; T1214-I1216 PolarHBondContact O-N 2.77Å; T1214-T1217 PolarHBondContact O-N 3.48Å; T1214-T1217 VanDerWaalsContact O-N 3.15Å; T1214-D1218 VanDerWaalsContact CG2-OD2 3.31Å; T1214-D1218 WeakPolarHBondContact CG2-OD2 3.32Å; T1214-D1218 WeakPolarHBondContact O-CB 3.32Å; T1214-D1218 PolarHBondContact O-N 3.45Å
1215	A	81.6	Confident	72.7	Confident	25 Å²	25	69.1 Å²	69.1	21%	0.207	36%	0.36	C	S	.	.	H	α-helix	trans	-62.8	-37.5	178.6	0	0	0	0	0	113.5	W1166 V1170 R1211 L1212 R1219	W1166-A1215 HydrophobicContact CH2-CB 4.22Å; W1166-A1215 HydrophobicContact CZ2-CB 4.05Å; V1170-A1215 HydrophobicContact CG1-CB 3.76Å; V1170-A1215 HydrophobicContact CG2-CB 3.86Å; R1211-A1215 PolarHBondContact O-N 3.45Å; L1212-A1215 PolarHBondContact O-N 2.75Å; A1215-R1219 VanDerWaalsContact O-CB 3.31Å; A1215-R1219 WeakPolarHBondContact O-CB 3.2Å; A1215-R1219 PolarHBondContact O-N 3.37Å
1216	I	81.9	Confident	72	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-62.7	-50.3	170.9	-66.8	164.1	0	0	0	109.9	W1166 L1190 L1191 L1199 L1212 W1213 T1214 D1218 R1219 R1220	W1166-I1216 HydrophobicContact CH2-CG1 3.87Å; W1166-I1216 HydrophobicContact CZ3-CG1 4.41Å; L1190-I1216 HydrophobicContact CD1-CD1 4.47Å; L1190-I1216 HydrophobicContact CG-CD1 4.06Å; L1191-I1216 HydrophobicContact CD2-CG1 4.3Å; L1199-I1216 HydrophobicContact CD1-CD1 4.07Å; L1212-I1216 HydrophobicContact CD1-CD1 4.35Å; L1212-I1216 HydrophobicContact CG-CD1 4Å; L1212-I1216 WeakPolarHBondContact O-CG1 3.29Å; L1212-I1216 PolarHBondContact O-N 2.79Å; W1213-I1216 HydrophobicContact CE3-CD1 4.07Å; W1213-I1216 HydrophobicContact CE3-CG2 4.47Å; W1213-I1216 HydrophobicContact CZ3-CD1 4.46Å; W1213-I1216 HydrophobicContact CZ3-CG2 4.28Å; W1213-I1216 PolarHBondContact O-N 2.87Å; T1214-I1216 PolarHBondContact O-N 2.77Å; I1216-D1218 PolarHBondContact O-N 2.92Å; I1216-R1219 PolarHBondContact O-N 3.07Å; I1216-R1220 WeakPolarHBondContact O-CG 3.43Å; I1216-R1220 PolarHBondContact O-N 3.42Å
1217	T	80.3	Confident	70.7	Confident	41 Å²	41	65.2 Å²	65.2	25%	0.252	35%	0.351	S	S	.	.	H	α-helix	trans	-64.5	-41.7	-175	-55.7	0	0	0	0	112.1	W1213 T1214 R1219 R1220 K1221	W1213-T1217 VanDerWaalsContact O-CB 3.29Å; W1213-T1217 WeakPolarHBondContact O-CB 3.3Å; W1213-T1217 PolarHBondContact O-N 3.22Å; W1213-T1217 PolarHBondContact O-OG1 3.27Å; T1214-T1217 PolarHBondContact O-N 3.48Å; T1214-T1217 VanDerWaalsContact O-N 3.15Å; T1217-R1219 VanDerWaalsContact C-N 3.35Å; T1217-R1220 WeakPolarHBondContact O-CB 3.43Å; T1217-R1220 PolarHBondContact O-N 2.84Å; T1217-K1221 WeakPolarHBondContact O-CG 3.27Å; T1217-K1221 PolarHBondContact O-N 2.8Å
1218	D	79	Confident	69.8	Low	70 Å²	70	67 Å²	67	37%	0.374	35%	0.352	S	S	.	.	H	α-helix	trans	-73.5	-28.6	179.4	-66.4	-25.2	0	0	0	112	T1214 I1216 K1221 T1222	T1214-D1218 VanDerWaalsContact CG2-OD2 3.31Å; T1214-D1218 WeakPolarHBondContact CG2-OD2 3.32Å; T1214-D1218 WeakPolarHBondContact O-CB 3.32Å; T1214-D1218 PolarHBondContact O-N 3.45Å; I1216-D1218 PolarHBondContact O-N 2.92Å; D1218-K1221 PolarHBondContact O-N 2.65Å; D1218-K1221 IonicContact OD1-NZ 2.71Å; D1218-K1221 PolarHBondContact OD1-NZ 3.13Å; D1218-T1222 PolarHBondContact O-N 3.4Å; D1218-T1222 PolarHBondContact O-OG1 3.06Å; D1218-T1222 VanDerWaalsContact O-OG1 3.12Å
1219	R	75.1	Confident	68.2	Low	114 Å²	114	72.3 Å²	72.3	43%	0.43	37%	0.374	S	S	.	.	H	α-helix	trans	-71.2	-33.8	169.5	-163.7	168.4	-178	-173	-3.5	112.6	W1166 L1191 A1215 I1216 T1217 T1222 S1223	W1166-R1219 VanDerWaalsContact NE1-NH1 3.16Å; L1191-R1219 HydrophobicContact CD2-CB 4.46Å; A1215-R1219 VanDerWaalsContact O-CB 3.31Å; A1215-R1219 WeakPolarHBondContact O-CB 3.2Å; A1215-R1219 PolarHBondContact O-N 3.37Å; I1216-R1219 PolarHBondContact O-N 3.07Å; T1217-R1219 VanDerWaalsContact C-N 3.35Å; R1219-T1222 WeakPolarHBondContact CA-OG1 3.28Å; R1219-T1222 PolarHBondContact O-OG1 3.44Å; R1219-S1223 PolarHBondContact O-N 2.81Å
1220	R	79.8	Confident	66.4	Low	71 Å²	71	77.2 Å²	77.2	27%	0.268	40%	0.401	S	S	.	.	H	α-helix	trans	-62.7	-44.8	168.4	-70.5	178.1	-174	178.2	6.9	111.3	L1191 A1194 I1216 T1217 S1223 L1224	L1191-R1220 PolarHBondContact O-NE 2.87Å; L1191-R1220 PolarHBondContact O-NH2 3.02Å; L1191-R1220 VanDerWaalsContact O-NH2 3.11Å; A1194-R1220 PolarHBondContact O-NH1 3.16Å; A1194-R1220 PolarHBondContact O-NH2 3.25Å; I1216-R1220 WeakPolarHBondContact O-CG 3.43Å; I1216-R1220 PolarHBondContact O-N 3.42Å; T1217-R1220 WeakPolarHBondContact O-CB 3.43Å; T1217-R1220 PolarHBondContact O-N 2.84Å; R1220-S1223 PolarHBondContact O-N 2.61Å; R1220-L1224 PolarHBondContact O-N 3.27Å; R1220-L1224 VanDerWaalsContact O-N 3.07Å
1221	K	68.8	Low	64.9	Low	111 Å²	111	78.3 Å²	78.3	48%	0.483	41%	0.409	S	S	.	.	H	α-helix	trans	-62.6	-42.4	177.7	-70.3	172	-168.2	154.9	0	113.3	T1217 D1218 S1223 L1224 N1225	T1217-K1221 WeakPolarHBondContact O-CG 3.27Å; T1217-K1221 PolarHBondContact O-N 2.8Å; D1218-K1221 PolarHBondContact O-N 2.65Å; D1218-K1221 IonicContact OD1-NZ 2.71Å; D1218-K1221 PolarHBondContact OD1-NZ 3.13Å; K1221-S1223 VanDerWaalsContact C-N 3.33Å; K1221-L1224 PolarHBondContact O-N 3.35Å; K1221-N1225 PolarHBondContact O-N 2.98Å
1222	T	62.9	Low	63.1	Low	89 Å²	89	79.7 Å²	79.7	55%	0.546	42%	0.421	S	S	.	.	H	α-helix	trans	-66.5	-36	177.5	42.2	0	0	0	0	112.2	D1218 R1219 N1225 T1226	D1218-T1222 PolarHBondContact O-N 3.4Å; D1218-T1222 PolarHBondContact O-OG1 3.06Å; D1218-T1222 VanDerWaalsContact O-OG1 3.12Å; R1219-T1222 WeakPolarHBondContact CA-OG1 3.28Å; R1219-T1222 PolarHBondContact O-OG1 3.44Å; T1222-N1225 PolarHBondContact O-N 3.48Å; T1222-T1226 PolarHBondContact O-N 3.44Å; T1222-T1226 VanDerWaalsContact O-N 3.15Å; T1222-T1226 PolarHBondContact O-OG1 2.8Å
1223	S	57.8	Low	61.1	Low	64 Å²	64	87.1 Å²	87.1	45%	0.448	46%	0.46	S	S	.	.	H	α-helix	trans	-63.6	-39.5	173	-166.4	0	0	0	0	113.1	R1219 R1220 K1221 T1226 S1227	R1219-S1223 PolarHBondContact O-N 2.81Å; R1220-S1223 PolarHBondContact O-N 2.61Å; K1221-S1223 VanDerWaalsContact C-N 3.33Å; S1223-T1226 WeakPolarHBondContact CA-OG1 3.41Å; S1223-T1226 PolarHBondContact O-N 3.11Å; S1223-T1226 PolarHBondContact O-OG1 3.26Å; S1223-S1227 PolarHBondContact O-N 2.94Å
1224	L	54.6	Low	59.1	Low	107 Å²	107	89.9 Å²	89.9	56%	0.56	48%	0.484	S	S	*	.	H	α-helix	trans	-64.5	-40.6	173.4	-78.2	159.4	0	0	0	112.2	R1220 K1221 T1226 S1227 I1228	R1220-L1224 PolarHBondContact O-N 3.27Å; R1220-L1224 VanDerWaalsContact O-N 3.07Å; K1221-L1224 PolarHBondContact O-N 3.35Å; L1224-T1226 VanDerWaalsContact C-N 3.32Å; L1224-T1226 PolarHBondContact O-N 3.22Å; L1224-S1227 PolarHBondContact O-N 3.13Å; L1224-I1228 WeakPolarHBondContact O-CG1 3.22Å; L1224-I1228 PolarHBondContact O-N 3.12Å; L1224-I1228 VanDerWaalsContact O-N 3.09Å
1225	N	50.4	Low	57.2	Low	106 Å²	106	94 Å²	94	57%	0.567	50%	0.502	S	S	*	.	H	α-helix	trans	-70	-24.2	178.6	-76.2	-2.2	0	0	0	113.8	K1221 T1222 K1229	K1221-N1225 PolarHBondContact O-N 2.98Å; T1222-N1225 PolarHBondContact O-N 3.48Å; N1225-K1229 PolarHBondContact O-N 2.87Å
1226	T	50.2	Low	54.9	Low	81 Å²	81	104.3 Å²	104.3	50%	0.497	55%	0.552	S	S	.	*	H	α-helix	trans	-70.4	-46.5	166.5	32.1	0	0	0	0	111.3	T1222 S1223 L1224 I1228 K1229 D1230	T1222-T1226 PolarHBondContact O-N 3.44Å; T1222-T1226 VanDerWaalsContact O-N 3.15Å; T1222-T1226 PolarHBondContact O-OG1 2.8Å; S1223-T1226 WeakPolarHBondContact CA-OG1 3.41Å; S1223-T1226 PolarHBondContact O-N 3.11Å; S1223-T1226 PolarHBondContact O-OG1 3.26Å; L1224-T1226 VanDerWaalsContact C-N 3.32Å; L1224-T1226 PolarHBondContact O-N 3.22Å; T1226-I1228 PolarHBondContact O-N 2.85Å; T1226-I1228 VanDerWaalsContact O-N 3.16Å; T1226-K1229 PolarHBondContact O-N 3.2Å; T1226-D1230 PolarHBondContact O-N 3.34Å
1227	S	45.7	Very low	53.5	Low	76 Å²	76	109.6 Å²	109.6	53%	0.531	58%	0.58	S	S	.	*	H	α-helix	trans	-59.6	-29.3	178.9	-174.3	0	0	0	0	114	S1223 L1224	S1223-S1227 PolarHBondContact O-N 2.94Å; L1224-S1227 PolarHBondContact O-N 3.13Å
1228	I	46	Very low	52.1	Low	95 Å²	95	113.2 Å²	113.2	49%	0.487	60%	0.597	S	S	.	*	H	α-helix	trans	-76.8	-38.2	176.6	-67.5	167.3	0	0	0	111	L1224 T1226 S1231	L1224-I1228 WeakPolarHBondContact O-CG1 3.22Å; L1224-I1228 PolarHBondContact O-N 3.12Å; L1224-I1228 VanDerWaalsContact O-N 3.09Å; T1226-I1228 PolarHBondContact O-N 2.85Å; T1226-I1228 VanDerWaalsContact O-N 3.16Å; I1228-S1231 PolarHBondContact O-N 3.42Å; I1228-S1231 PolarHBondContact O-OG 3.42Å
1229	K	41.4	Very low	50.6	Low	149 Å²	149	115.6 Å²	115.6	65%	0.648	61%	0.61	S	S	*	*	H	α-helix	trans	-66.4	-41.9	176	-79.3	-165.7	166.4	-160.7	0	112.8	N1225 T1226 S1231 E1232	N1225-K1229 PolarHBondContact O-N 2.87Å; T1226-K1229 PolarHBondContact O-N 3.2Å; K1229-S1231 PolarHBondContact O-N 3.29Å; K1229-E1232 PolarHBondContact O-N 2.73Å; K1229-E1232 VanDerWaalsContact O-N 3.14Å
1230	D	42	Very low	49.2	Very low	118 Å²	118	115.6 Å²	115.6	63%	0.631	62%	0.62	S	S	*	*	H	α-helix	trans	-64.3	-11.8	176.4	-61.1	-25.5	0	0	0	112.4	T1226 T1234	T1226-D1230 PolarHBondContact O-N 3.34Å; D1230-T1234 PolarHBondContact O-OG1 2.83Å
1231	S	40.1	Very low	47.2	Very low	76 Å²	76	118.4 Å²	118.4	53%	0.531	64%	0.642	S	S	.	*	H	α-helix	trans	-95.3	-15.4	176.2	77.5	0	0	0	0	115.4	I1228 K1229	I1228-S1231 PolarHBondContact O-N 3.42Å; I1228-S1231 PolarHBondContact O-OG 3.42Å; K1229-S1231 PolarHBondContact O-N 3.29Å
1232	E	39.4	Very low	45.8	Very low	150 Å²	150	118.9 Å²	118.9	70%	0.701	65%	0.653	S	S	*	*	H	α-helix	trans	-88.8	-32.2	175.5	-70.4	-170.7	128.8	0	0	112	K1229 T1234	K1229-E1232 PolarHBondContact O-N 2.73Å; K1229-E1232 VanDerWaalsContact O-N 3.14Å; E1232-T1234 PolarHBondContact O-N 3.19Å; E1232-T1234 VanDerWaalsContact O-N 3.11Å
1233	D	41	Very low	44.6	Very low	155 Å²	155	121.1 Å²	121.1	83%	0.829	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	17.3	177.8	-83.7	-28.4	0	0	0	114.2
1234	T	41.8	Very low	43.6	Very low	114 Å²	114	125.5 Å²	125.5	70%	0.699	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.9	26.1	173.2	-25.3	0	0	0	0	114	D1230 E1232	D1230-T1234 PolarHBondContact O-OG1 2.83Å; E1232-T1234 PolarHBondContact O-N 3.19Å; E1232-T1234 VanDerWaalsContact O-N 3.11Å
1235	L	41.3	Very low	42.7	Very low	161 Å²	161	127 Å²	127	84%	0.843	69%	0.686	S	S	*	*			trans	-128.2	48.1	173.5	-110.1	171.5	0	0	0	113.2
1236	L	32.5	Very low	41.9	Very low	243 Å²	243	128.9 Å²	128.9	100%	1.272	70%	0.697	S	S	*	*			trans	-145.9	0	165.1	-114.4	170.1	0	0	0	111.4

Retrieved 1,236 of 1,236 residues in 907.7 ms (Link to these results)

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