A0A087Y2P7_POEFO Loading...

PR/SET domain 11

AlphaFold DB , UniProt , Accession A0A087Y2P7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 916 aa.

						>A0A087Y2P7_POEFO|A0A087Y2P7
MRFVRTSSEDSDRNLTAFQHNGNIYFRVCRRLEAGEILRVWYSDDYIQKLQCVSQDSINRNLDTGPETSTVPQSFHKELSVPKLCTGKQSCEEPDGQPPAKKKKIDLIFKDVLEASLEDCTKPRSGSSVPNLKVEKAEDNLTSGGPSTSFCPNCVKLKRRILELEEELSHLRKQQGNSVGPSSSELQPDLPHPEQAPIEDSQGMEPLTPTQIILDEDEQEVDSADESVSADLVISPEDSSKPYSGSSRRIRRFKQEWLKKFWFLRYSSTLNEMWCHVCRQYTVQSSRTSAFIIGSKQFKIHTIKLHSQSNLHKKCLQLYKLRMHPEKTEEMCKNMTLLFNAAYHLALEGRAFSDLRPLAELLKKCELKIVDQYMNEGDCKILVHHIARALKEELAEKMRLSPFLSVIMDAQNDDLFSDLVAVYVQFTTSDSSPQMEFLSLERVSMPNVDGYLQLLDRAFSVLGLRFQDLLVVGLGVDGTNISSGIRGSLYISVQKTFPWILCLPILIHRPHLEVLDAISGKELSCLEDLENNLKQLLSFYRYSPRMMAELRSTAPTLSEETEFLGDIRAVRWIIGEPNVLNALIKDYLEVLAHLKEISSQTQRADAAAIALTLLQFLMDYQSVKLIYFLLDIIAVLSRLALTFQGEHLLVSQVEARLEEAIQEIGQLVDCPGEYLQEFEENFRESFNGVALKNLRVAESKFQSIRKKICSRSQGILSQRLDLQSRSFTKACQVLDLDSWPSNHEDLKTFGEEEIQVIFNHLDSIPSAGQDDRMETRSNLLVEWKELKVDYFSMNSFKDILIHICRYKQRFPLLNQILQVVRVLPSSTACCDKGRGALQRICKNNRSRLTLEQMNDLLTVAVNGPPVANFDAKRALDSWFEEKSGSSYSLSAEVLNRMSDADPKSGLHSGDINTEYL
					

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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	41.6	Very low	61.8	Low	172 Å²	172	113.4 Å²	113.4	85%	0.847	56%	0.562	S	S	*	*				0	-10	0	-66.1	-143.3	-78.9	0	0	115.1	F3 V4	M1-F3 PolarHBondContact O-N 3.19Å; M1-F3 VanDerWaalsContact O-N 3.1Å; M1-V4 PolarHBondContact O-N 2.72Å
2	R	38.8	Very low	62.8	Low	213 Å²	213	110.7 Å²	110.7	80%	0.804	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-18.9	-174	-135.1	175.2	-177.3	-175.7	-2.9	115.8	E559	R2-E559 IonicContact NH2-OE1 2.71Å; R2-E559 PolarHBondContact NH2-OE1 3.5Å
3	F	50.6	Low	64.3	Low	178 Å²	178	108.5 Å²	108.5	78%	0.781	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-7	-176.9	-58.4	-74.9	0	0	0	114.7	M1	M1-F3 PolarHBondContact O-N 3.19Å; M1-F3 VanDerWaalsContact O-N 3.1Å
4	V	65.6	Low	65.8	Low	32 Å²	32	101.2 Å²	101.2	19%	0.194	50%	0.497	C	S	.	.	S	Bend	trans	-111.8	109.8	-179	178.8	0	0	0	0	107.3	M1 L15 F26 L38 V40	M1-V4 PolarHBondContact O-N 2.72Å; V4-L15 HydrophobicContact CG1-CD1 3.88Å; V4-L15 HydrophobicContact CG2-CD1 4.1Å; V4-F26 HydrophobicContact CG1-CE1 4.42Å; V4-L38 HydrophobicContact CG2-CB 4.25Å; V4-L38 HydrophobicContact CG2-CD1 4.34Å; V4-V40 HydrophobicContact CG1-CB 4.04Å; V4-V40 HydrophobicContact CG1-CG2 3.29Å
5	R	70.8	Confident	67	Low	166 Å²	166	95.1 Å²	95.1	63%	0.626	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	146.6	-177.3	-66.8	-166.1	177.7	-172	-0.2	110.7	I37 L38 R39 V40	R5-I37 HydrophobicContact CG-CG2 4.27Å; R5-L38 PolarHBondContact N-O 2.92Å; R5-R39 CarbonylContact O-C 3.6Å; R5-R39 VanDerWaalsContact O-CA 3.25Å; R5-R39 WeakPolarHBondContact O-CA 3.49Å; R5-V40 PolarHBondContact O-N 3.15Å
6	T	72.1	Confident	67.8	Low	100 Å²	100	91.6 Å²	91.6	61%	0.613	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	126.3	171.4	-28.9	0	0	0	0	109.1	V40 Y42	T6-V40 CarbonylContact C-O 3.59Å; T6-V40 WeakPolarHBondContact CA-O 3.34Å; T6-Y42 HydrophobicContact CG2-CD2 3.54Å; T6-Y42 HydrophobicContact CG2-CE2 3.72Å
7	S	71.1	Confident	68.6	Low	8 Å²	8	87.2 Å²	87.2	6%	0.056	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-78.1	143.2	171.3	-171.7	0	0	0	0	109.9	E9 D12 V40	S7-E9 WeakPolarHBondContact CB-O 3.17Å; S7-E9 PolarHBondContact OG-N 3.32Å; S7-E9 PolarHBondContact OG-O 3.28Å; S7-D12 WeakPolarHBondContact OG-CB 3.42Å; S7-V40 PolarHBondContact N-O 3.14Å
8	S	64.9	Low	68.9	Low	105 Å²	105	86.4 Å²	86.4	73%	0.734	43%	0.429	S	S	*	.	S	Bend	trans	-78.7	-23	172.7	47.2	0	0	0	0	112.9
9	E	67.1	Low	68.9	Low	119 Å²	119	86.6 Å²	86.6	56%	0.556	43%	0.428	S	S	*	.	S	Bend	trans	-133	150.3	-178.8	-63	-175.8	-177.2	0	0	111.4	S7 S11 D12 W41	S7-E9 WeakPolarHBondContact CB-O 3.17Å; S7-E9 PolarHBondContact OG-N 3.32Å; S7-E9 PolarHBondContact OG-O 3.28Å; E9-S11 VanDerWaalsContact C-N 3.25Å; E9-S11 WeakPolarHBondContact CB-OG 3.37Å; E9-S11 PolarHBondContact O-N 3.38Å; E9-S11 PolarHBondContact OE2-OG 3.5Å; E9-D12 PolarHBondContact O-N 3.19Å; E9-W41 VanDerWaalsContact C-CD1 3.42Å
10	D	67.6	Low	68.7	Low	64 Å²	64	87.4 Å²	87.4	34%	0.342	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-66.4	-28.2	-179	-166.9	42.4	0	0	0	112.7	D12 R13 W41	D10-D12 VanDerWaalsContact C-N 3.27Å; D10-D12 PolarHBondContact O-N 3.4Å; D10-R13 VanDerWaalsContact O-CG 3.31Å; D10-R13 WeakPolarHBondContact O-CG 3.39Å; D10-R13 PolarHBondContact O-N 2.8Å; D10-R13 WeakPolarHBondContact OD1-CD 2.92Å; D10-R13 IonicContact OD1-CZ 2.61Å; D10-R13 IonicContact OD1-NE 2.6Å; D10-R13 PolarHBondContact OD1-NE 3.12Å; D10-R13 VanDerWaalsContact OD1-NE 3.09Å; D10-R13 IonicContact OD1-NH1 3.77Å; D10-R13 PolarHBondContact OD1-NH1 3.24Å; D10-R13 IonicContact OD1-NH2 2.85Å; D10-R13 IonicContact OD2-CZ 3.79Å; D10-R13 IonicContact OD2-NH1 2.95Å; D10-R13 IonicContact OD2-NH2 3.94Å; D10-W41 HydrophobicContact CB-CD2 3.81Å; D10-W41 HydrophobicContact CB-CE3 3.83Å; D10-W41 HydrophobicContact CB-CG 4.27Å; D10-W41 HydrophobicContact CB-CH2 4.31Å; D10-W41 HydrophobicContact CB-CZ2 4.36Å; D10-W41 HydrophobicContact CB-CZ3 4.02Å
11	S	70.1	Confident	68.2	Low	90 Å²	90	89.7 Å²	89.7	63%	0.629	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-63.3	-29.4	176.6	44.4	0	0	0	0	113.4	E9	E9-S11 VanDerWaalsContact C-N 3.25Å; E9-S11 WeakPolarHBondContact CB-OG 3.37Å; E9-S11 PolarHBondContact O-N 3.38Å; E9-S11 PolarHBondContact OE2-OG 3.5Å
12	D	73.3	Confident	69.2	Low	81 Å²	81	84.3 Å²	84.3	43%	0.433	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-94.2	1.9	-173.9	-103.8	19.1	0	0	0	113.3	S7 E9 D10 R39	S7-D12 WeakPolarHBondContact OG-CB 3.42Å; E9-D12 PolarHBondContact O-N 3.19Å; D10-D12 VanDerWaalsContact C-N 3.27Å; D10-D12 PolarHBondContact O-N 3.4Å; D12-R39 WeakPolarHBondContact O-CB 3.46Å; D12-R39 WeakPolarHBondContact O-CD 3.41Å; D12-R39 IonicContact OD2-NH1 3.43Å; D12-R39 PolarHBondContact OD2-NH1 3.06Å
13	R	82.7	Confident	70.1	Confident	83 Å²	83	78.8 Å²	78.8	31%	0.313	42%	0.419	S	S	.	.			trans	-77.5	138.3	177.4	84.3	-173.9	170.4	-170.5	-4.5	110.9	D10 W41	D10-R13 VanDerWaalsContact O-CG 3.31Å; D10-R13 WeakPolarHBondContact O-CG 3.39Å; D10-R13 PolarHBondContact O-N 2.8Å; D10-R13 WeakPolarHBondContact OD1-CD 2.92Å; D10-R13 IonicContact OD1-CZ 2.61Å; D10-R13 IonicContact OD1-NE 2.6Å; D10-R13 PolarHBondContact OD1-NE 3.12Å; D10-R13 VanDerWaalsContact OD1-NE 3.09Å; D10-R13 IonicContact OD1-NH1 3.77Å; D10-R13 PolarHBondContact OD1-NH1 3.24Å; D10-R13 IonicContact OD1-NH2 2.85Å; D10-R13 IonicContact OD2-CZ 3.79Å; D10-R13 IonicContact OD2-NH1 2.95Å; D10-R13 IonicContact OD2-NH2 3.94Å; R13-W41 HydrophobicContact CB-CB 3.84Å
14	N	84.7	Confident	71.1	Confident	6 Å²	6	73.8 Å²	73.8	3%	0.032	40%	0.4	C	S	.	.	S	Bend	trans	-119.6	-5.2	167.7	64	12.5	0	0	0	112.2	C29 L32 I37 R39	N14-C29 PolarHBondContact O-N 3.23Å; N14-L32 HydrophobicContact CB-CD2 3.57Å; N14-I37 PolarHBondContact ND2-O 2.84Å; N14-R39 PolarHBondContact N-O 3.48Å; N14-R39 PolarHBondContact OD1-N 3.14Å; N14-R39 PolarHBondContact OD1-O 3.38Å; N14-R39 VanDerWaalsContact OD1-O 3.12Å
15	L	83.6	Confident	71.6	Confident	9 Å²	9	77.1 Å²	77.1	5%	0.047	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.6	172.3	-66.5	178.1	0	0	0	110.7	V4 F26 R27 V28 C29 L38 R39 V40	V4-L15 HydrophobicContact CG1-CD1 3.88Å; V4-L15 HydrophobicContact CG2-CD1 4.1Å; L15-F26 HydrophobicContact CD1-CB 4.26Å; L15-F26 HydrophobicContact CD2-CB 4.4Å; L15-R27 CarbonylContact C-O 3.56Å; L15-R27 VanDerWaalsContact CA-O 3.31Å; L15-R27 WeakPolarHBondContact CA-O 3.34Å; L15-V28 HydrophobicContact CD2-CB 4.35Å; L15-V28 HydrophobicContact CD2-CG2 3.67Å; L15-C29 VanDerWaalsContact C-SG 3.54Å; L15-L38 HydrophobicContact CD1-CB 3.73Å; L15-L38 HydrophobicContact CD1-CD1 4.3Å; L15-L38 HydrophobicContact CD1-CD2 4.11Å; L15-L38 HydrophobicContact CD1-CG 4.26Å; L15-L38 HydrophobicContact CG-CD2 4.34Å; L15-R39 PolarHBondContact N-O 2.7Å; L15-V40 HydrophobicContact CB-CG2 3.34Å; L15-V40 HydrophobicContact CD1-CG2 3.97Å; L15-V40 HydrophobicContact CG-CG2 4.31Å
16	T	81.1	Confident	72.2	Confident	39 Å²	39	72.6 Å²	72.6	24%	0.239	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129.8	168.8	33.1	0	0	0	0	109.1	F26 R27 C29	T16-F26 CarbonylContact O-C 3.59Å; T16-F26 WeakPolarHBondContact O-CA 3.33Å; T16-R27 PolarHBondContact N-O 3.42Å; T16-R27 PolarHBondContact O-N 3.39Å; T16-R27 PolarHBondContact OG1-O 3.4Å; T16-R27 VanDerWaalsContact OG1-O 3.09Å; T16-C29 WeakPolarHBondContact CG2-SG 3.46Å; T16-C29 PolarHBondContact N-SG 3.41Å; T16-C29 PolarHBondContact OG1-SG 3.35Å; T16-C29 VanDerWaalsContact OG1-SG 3.41Å
17	A	79.9	Confident	72.7	Confident	18 Å²	18	75.2 Å²	75.2	15%	0.149	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	137.9	174	0	0	0	0	0	110.3	I24 Y25 F26 V40 Y42 Y46	A17-I24 HydrophobicContact CB-CG2 4.2Å; A17-Y25 CarbonylContact C-O 3.54Å; A17-Y25 WeakPolarHBondContact CA-O 3.48Å; A17-F26 HydrophobicContact CB-CD1 3.87Å; A17-F26 HydrophobicContact CB-CE1 3.71Å; A17-V40 HydrophobicContact CB-CG1 4.01Å; A17-Y42 HydrophobicContact CB-CD1 4.29Å; A17-Y42 HydrophobicContact CB-CE1 3.79Å; A17-Y46 HydrophobicContact CB-CE1 4.08Å; A17-Y46 HydrophobicContact CB-CE2 4.29Å; A17-Y46 WeakPolarHBondContact CB-OH 3.26Å
18	F	74.6	Confident	73.4	Confident	73 Å²	73	78.2 Å²	78.2	32%	0.32	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	151.9	172.2	69.2	-81.5	0	0	0	109.8	Y25 R27	F18-Y25 WeakPolarHBondContact CD1-O 3.43Å; F18-Y25 HydrophobicContact CE2-CD2 4.4Å; F18-Y25 HydrophobicContact CE2-CG 4.3Å; F18-Y25 HydrophobicContact CZ-CG 4.16Å; F18-Y25 PolarHBondContact N-O 3.25Å; F18-Y25 PolarHBondContact O-N 3.41Å; F18-R27 HydrophobicContact CD1-CB 4.06Å; F18-R27 HydrophobicContact CE1-CB 3.75Å
19	Q	69.1	Low	74.1	Confident	90 Å²	90	76.1 Å²	76.1	42%	0.421	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	139	-176.1	-161.9	175.9	9	0	0	110.8	N23	Q19-N23 WeakPolarHBondContact CA-O 3.41Å; Q19-N23 WeakPolarHBondContact CG-O 3.43Å
20	H	65.7	Low	74.8	Confident	102 Å²	102	76.4 Å²	76.4	47%	0.472	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	129.5	174.2	-177.5	-86.3	0	0	0	109.9	G22 N23 Y25	H20-G22 VanDerWaalsContact C-N 3.29Å; H20-G22 PolarHBondContact O-N 2.96Å; H20-N23 PolarHBondContact N-O 3.37Å; H20-N23 PolarHBondContact O-N 3.24Å; H20-Y25 HydrophobicContact CB-CD2 3.88Å; H20-Y25 HydrophobicContact CB-CE2 3.77Å; H20-Y25 WeakPolarHBondContact O-CE2 3.49Å
21	N	58.1	Low	75.2	Confident	135 Å²	135	84.7 Å²	84.7	72%	0.722	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	45.1	-177.1	-66.2	-8	0	0	0	114.1	N23	N21-N23 PolarHBondContact O-N 3.41Å
22	G	61.9	Low	75.8	Confident	59 Å²	59	83.1 Å²	83.1	61%	0.608	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	-6.9	179.1	0	0	0	0	0	115.4	H20	H20-G22 VanDerWaalsContact C-N 3.29Å; H20-G22 PolarHBondContact O-N 2.96Å
23	N	57.6	Low	75.8	Confident	97 Å²	97	86.4 Å²	86.4	52%	0.519	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	148.2	-180	-67	-37.5	0	0	0	112	Q19 H20 N21 Y25	Q19-N23 WeakPolarHBondContact CA-O 3.41Å; Q19-N23 WeakPolarHBondContact CG-O 3.43Å; H20-N23 PolarHBondContact N-O 3.37Å; H20-N23 PolarHBondContact O-N 3.24Å; N21-N23 PolarHBondContact O-N 3.41Å; N23-Y25 HydrophobicContact CB-CD2 4.47Å; N23-Y25 HydrophobicContact CB-CE2 3.69Å; N23-Y25 WeakPolarHBondContact O-CD2 3.44Å
24	I	72.8	Confident	74.9	Confident	74 Å²	74	87.9 Å²	87.9	38%	0.379	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	123.4	176.7	-57.4	174.2	0	0	0	109.1	A17 F26 L50	A17-I24 HydrophobicContact CB-CG2 4.2Å; I24-F26 HydrophobicContact CG2-CE1 4.3Å; I24-F26 HydrophobicContact CG2-CE2 4.32Å; I24-F26 HydrophobicContact CG2-CZ 3.97Å; I24-L50 HydrophobicContact CD1-CD2 4.47Å
25	Y	75.2	Confident	74.2	Confident	102 Å²	102	91.5 Å²	91.5	40%	0.4	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	152	176.1	-64.5	-89.5	0	0	0	110.2	A17 F18 H20 N23	A17-Y25 CarbonylContact C-O 3.54Å; A17-Y25 WeakPolarHBondContact CA-O 3.48Å; F18-Y25 WeakPolarHBondContact CD1-O 3.43Å; F18-Y25 HydrophobicContact CE2-CD2 4.4Å; F18-Y25 HydrophobicContact CE2-CG 4.3Å; F18-Y25 HydrophobicContact CZ-CG 4.16Å; F18-Y25 PolarHBondContact N-O 3.25Å; F18-Y25 PolarHBondContact O-N 3.41Å; H20-Y25 HydrophobicContact CB-CD2 3.88Å; H20-Y25 HydrophobicContact CB-CE2 3.77Å; H20-Y25 WeakPolarHBondContact O-CE2 3.49Å; N23-Y25 HydrophobicContact CB-CD2 4.47Å; N23-Y25 HydrophobicContact CB-CE2 3.69Å; N23-Y25 WeakPolarHBondContact O-CD2 3.44Å
26	F	83.8	Confident	73.8	Confident	70 Å²	70	93.9 Å²	93.9	31%	0.307	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.2	177.3	-59.7	-79.4	0	0	0	109.6	V4 L15 T16 A17 I24 V40	V4-F26 HydrophobicContact CG1-CE1 4.42Å; L15-F26 HydrophobicContact CD1-CB 4.26Å; L15-F26 HydrophobicContact CD2-CB 4.4Å; T16-F26 CarbonylContact O-C 3.59Å; T16-F26 WeakPolarHBondContact O-CA 3.33Å; A17-F26 HydrophobicContact CB-CD1 3.87Å; A17-F26 HydrophobicContact CB-CE1 3.71Å; I24-F26 HydrophobicContact CG2-CE1 4.3Å; I24-F26 HydrophobicContact CG2-CE2 4.32Å; I24-F26 HydrophobicContact CG2-CZ 3.97Å; F26-V40 HydrophobicContact CD1-CG1 4.42Å; F26-V40 HydrophobicContact CD1-CG2 3.41Å; F26-V40 VanDerWaalsContact CD1-CG2 3.41Å; F26-V40 HydrophobicContact CE1-CB 4.36Å; F26-V40 HydrophobicContact CE1-CG1 4.18Å; F26-V40 HydrophobicContact CE1-CG2 3.6Å; F26-V40 HydrophobicContact CG-CG2 4.44Å
27	R	82.5	Confident	73.6	Confident	156 Å²	156	96 Å²	96	59%	0.589	50%	0.504	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.6	173.9	-174.6	178.7	-64.4	171.5	1.7	109.4	L15 T16 F18	L15-R27 CarbonylContact C-O 3.56Å; L15-R27 VanDerWaalsContact CA-O 3.31Å; L15-R27 WeakPolarHBondContact CA-O 3.34Å; T16-R27 PolarHBondContact N-O 3.42Å; T16-R27 PolarHBondContact O-N 3.39Å; T16-R27 PolarHBondContact OG1-O 3.4Å; T16-R27 VanDerWaalsContact OG1-O 3.09Å; F18-R27 HydrophobicContact CD1-CB 4.06Å; F18-R27 HydrophobicContact CE1-CB 3.75Å
28	V	84.5	Confident	73.8	Confident	70 Å²	70	98 Å²	98	42%	0.424	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	128.2	176	176.5	0	0	0	0	110.4	L15 R30 L32	L15-V28 HydrophobicContact CD2-CB 4.35Å; L15-V28 HydrophobicContact CD2-CG2 3.67Å; V28-R30 WeakPolarHBondContact CG1-O 3.04Å; V28-L32 HydrophobicContact CG1-CD1 4.02Å; V28-L32 HydrophobicContact CG1-CD2 4.24Å; V28-L32 HydrophobicContact CG1-CG 3.7Å; V28-L32 HydrophobicContact CG2-CD1 3.82Å; V28-L32 HydrophobicContact CG2-CG 4.42Å
29	C	79.8	Confident	74.1	Confident	61 Å²	61	98.4 Å²	98.4	41%	0.412	51%	0.511	S	S	.	.	S	Bend	trans	-83.4	-26.1	-178.6	-58	0	0	0	0	113.1	N14 L15 T16	N14-C29 PolarHBondContact O-N 3.23Å; L15-C29 VanDerWaalsContact C-SG 3.54Å; T16-C29 WeakPolarHBondContact CG2-SG 3.46Å; T16-C29 PolarHBondContact N-SG 3.41Å; T16-C29 PolarHBondContact OG1-SG 3.35Å; T16-C29 VanDerWaalsContact OG1-SG 3.41Å
30	R	81.7	Confident	74.7	Confident	126 Å²	126	94.1 Å²	94.1	48%	0.475	49%	0.491	S	S	.	.	S	Bend	trans	-150.9	157.3	178.8	64.5	172	179.1	86.3	-7.5	109.7	V28 L32 E36	V28-R30 WeakPolarHBondContact CG1-O 3.04Å; R30-L32 PolarHBondContact O-N 3.39Å; R30-E36 IonicContact CZ-OE1 3.45Å; R30-E36 VanDerWaalsContact CZ-OE1 3.29Å; R30-E36 IonicContact CZ-OE2 2.71Å; R30-E36 IonicContact NH1-OE1 3.4Å; R30-E36 PolarHBondContact NH1-OE1 3.22Å; R30-E36 IonicContact NH1-OE2 3.43Å; R30-E36 PolarHBondContact NH1-OE2 3.37Å; R30-E36 VanDerWaalsContact NH1-OE2 3.16Å; R30-E36 IonicContact NH2-OE1 3.22Å; R30-E36 PolarHBondContact NH2-OE1 2.98Å; R30-E36 IonicContact NH2-OE2 3.86Å
31	R	77.4	Confident	75.2	Confident	237 Å²	237	92.5 Å²	92.5	89%	0.894	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-52.7	127.1	175.3	-157.6	176.1	-165.1	-176.4	2.6	110.1
32	L	81.7	Confident	76	Confident	57 Å²	57	88.2 Å²	88.2	30%	0.298	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-92.3	142.1	-179.2	-61	175.2	0	0	0	109.9	N14 V28 R30 E36 L38	N14-L32 HydrophobicContact CB-CD2 3.57Å; V28-L32 HydrophobicContact CG1-CD1 4.02Å; V28-L32 HydrophobicContact CG1-CD2 4.24Å; V28-L32 HydrophobicContact CG1-CG 3.7Å; V28-L32 HydrophobicContact CG2-CD1 3.82Å; V28-L32 HydrophobicContact CG2-CG 4.42Å; R30-L32 PolarHBondContact O-N 3.39Å; L32-E36 WeakPolarHBondContact CA-OE2 3.37Å; L32-L38 HydrophobicContact CD1-CD2 3.56Å
33	E	73.9	Confident	76	Confident	151 Å²	151	87.2 Å²	87.2	71%	0.706	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-98.2	151.8	172.5	-61.9	-169.2	173.9	0	0	110.9	G35 E36	E33-G35 PolarHBondContact O-N 3.43Å; E33-E36 HydrophobicContact CB-CG 4.19Å; E33-E36 PolarHBondContact N-OE2 3.38Å; E33-E36 WeakPolarHBondContact O-CB 3.31Å; E33-E36 PolarHBondContact O-N 3.29Å; E33-E36 VanDerWaalsContact O-N 3.13Å
34	A	63.9	Low	76.1	Confident	114 Å²	114	88.2 Å²	88.2	94%	0.942	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	125.4	-179.1	0	0	0	0	0	110.3
35	G	70.1	Confident	75.3	Confident	82 Å²	82	89.8 Å²	89.8	85%	0.845	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.4	-7.6	-175.5	0	0	0	0	0	114.7	E33	E33-G35 PolarHBondContact O-N 3.43Å
36	E	74.4	Confident	74.6	Confident	59 Å²	59	86.7 Å²	86.7	28%	0.276	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-69.2	132.4	175.8	-74	-169.3	138.9	0	0	112.4	R30 L32 E33 L38	R30-E36 IonicContact CZ-OE1 3.45Å; R30-E36 VanDerWaalsContact CZ-OE1 3.29Å; R30-E36 IonicContact CZ-OE2 2.71Å; R30-E36 IonicContact NH1-OE1 3.4Å; R30-E36 PolarHBondContact NH1-OE1 3.22Å; R30-E36 IonicContact NH1-OE2 3.43Å; R30-E36 PolarHBondContact NH1-OE2 3.37Å; R30-E36 VanDerWaalsContact NH1-OE2 3.16Å; R30-E36 IonicContact NH2-OE1 3.22Å; R30-E36 PolarHBondContact NH2-OE1 2.98Å; R30-E36 IonicContact NH2-OE2 3.86Å; L32-E36 WeakPolarHBondContact CA-OE2 3.37Å; E33-E36 HydrophobicContact CB-CG 4.19Å; E33-E36 PolarHBondContact N-OE2 3.38Å; E33-E36 WeakPolarHBondContact O-CB 3.31Å; E33-E36 PolarHBondContact O-N 3.29Å; E33-E36 VanDerWaalsContact O-N 3.13Å; E36-L38 PolarHBondContact O-N 3.47Å
37	I	76.4	Confident	73.4	Confident	83 Å²	83	86.6 Å²	86.6	43%	0.426	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-71.3	123.9	175.7	-60.3	174.4	0	0	0	108.9	R5 N14 R39	R5-I37 HydrophobicContact CG-CG2 4.27Å; N14-I37 PolarHBondContact ND2-O 2.84Å; I37-R39 HydrophobicContact CG2-CG 4.23Å; I37-R39 PolarHBondContact O-N 3.21Å
38	L	84.4	Confident	72.1	Confident	59 Å²	59	84.6 Å²	84.6	31%	0.309	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-67.9	118.4	175.7	-63.1	-177.6	0	0	0	110.5	V4 R5 L15 L32 E36	V4-L38 HydrophobicContact CG2-CB 4.25Å; V4-L38 HydrophobicContact CG2-CD1 4.34Å; R5-L38 PolarHBondContact N-O 2.92Å; L15-L38 HydrophobicContact CD1-CB 3.73Å; L15-L38 HydrophobicContact CD1-CD1 4.3Å; L15-L38 HydrophobicContact CD1-CD2 4.11Å; L15-L38 HydrophobicContact CD1-CG 4.26Å; L15-L38 HydrophobicContact CG-CD2 4.34Å; L32-L38 HydrophobicContact CD1-CD2 3.56Å; E36-L38 PolarHBondContact O-N 3.47Å
39	R	80.3	Confident	70.7	Confident	82 Å²	82	88.2 Å²	88.2	31%	0.309	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.2	-174.5	-70.5	-179.6	-175.1	-138.1	1.2	110.8	R5 D12 N14 L15 I37	R5-R39 CarbonylContact O-C 3.6Å; R5-R39 VanDerWaalsContact O-CA 3.25Å; R5-R39 WeakPolarHBondContact O-CA 3.49Å; D12-R39 WeakPolarHBondContact O-CB 3.46Å; D12-R39 WeakPolarHBondContact O-CD 3.41Å; D12-R39 IonicContact OD2-NH1 3.43Å; D12-R39 PolarHBondContact OD2-NH1 3.06Å; N14-R39 PolarHBondContact N-O 3.48Å; N14-R39 PolarHBondContact OD1-N 3.14Å; N14-R39 PolarHBondContact OD1-O 3.38Å; N14-R39 VanDerWaalsContact OD1-O 3.12Å; L15-R39 PolarHBondContact N-O 2.7Å; I37-R39 HydrophobicContact CG2-CG 4.23Å; I37-R39 PolarHBondContact O-N 3.21Å
40	V	83.2	Confident	69.5	Low	1 Å²	1	88.7 Å²	88.7	1%	0.006	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.4	174.5	173.9	0	0	0	0	108.7	V4 R5 T6 S7 L15 A17 F26 Y42	V4-V40 HydrophobicContact CG1-CB 4.04Å; V4-V40 HydrophobicContact CG1-CG2 3.29Å; R5-V40 PolarHBondContact O-N 3.15Å; T6-V40 CarbonylContact C-O 3.59Å; T6-V40 WeakPolarHBondContact CA-O 3.34Å; S7-V40 PolarHBondContact N-O 3.14Å; L15-V40 HydrophobicContact CB-CG2 3.34Å; L15-V40 HydrophobicContact CD1-CG2 3.97Å; L15-V40 HydrophobicContact CG-CG2 4.31Å; A17-V40 HydrophobicContact CB-CG1 4.01Å; F26-V40 HydrophobicContact CD1-CG1 4.42Å; F26-V40 HydrophobicContact CD1-CG2 3.41Å; F26-V40 VanDerWaalsContact CD1-CG2 3.41Å; F26-V40 HydrophobicContact CE1-CB 4.36Å; F26-V40 HydrophobicContact CE1-CG1 4.18Å; F26-V40 HydrophobicContact CE1-CG2 3.6Å; F26-V40 HydrophobicContact CG-CG2 4.44Å; V40-Y42 HydrophobicContact CG1-CD1 3.86Å; V40-Y42 HydrophobicContact CG1-CE1 3.52Å; V40-Y42 HydrophobicContact CG1-CE2 4.35Å; V40-Y42 HydrophobicContact CG1-CG 4.44Å
41	W	76.5	Confident	67.8	Low	68 Å²	68	88 Å²	88	26%	0.258	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-97.6	130.7	165.8	-173.5	79.5	0	0	0	109	E9 D10 R13 S43	E9-W41 VanDerWaalsContact C-CD1 3.42Å; D10-W41 HydrophobicContact CB-CD2 3.81Å; D10-W41 HydrophobicContact CB-CE3 3.83Å; D10-W41 HydrophobicContact CB-CG 4.27Å; D10-W41 HydrophobicContact CB-CH2 4.31Å; D10-W41 HydrophobicContact CB-CZ2 4.36Å; D10-W41 HydrophobicContact CB-CZ3 4.02Å; R13-W41 HydrophobicContact CB-CB 3.84Å; W41-S43 VanDerWaalsContact CH2-CA 3.43Å
42	Y	73.1	Confident	66.3	Low	45 Å²	45	80 Å²	80	18%	0.176	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-99	116.6	172.8	-60	-63.4	0	0	0	107.2	T6 A17 V40 Y46	T6-Y42 HydrophobicContact CG2-CD2 3.54Å; T6-Y42 HydrophobicContact CG2-CE2 3.72Å; A17-Y42 HydrophobicContact CB-CD1 4.29Å; A17-Y42 HydrophobicContact CB-CE1 3.79Å; V40-Y42 HydrophobicContact CG1-CD1 3.86Å; V40-Y42 HydrophobicContact CG1-CE1 3.52Å; V40-Y42 HydrophobicContact CG1-CE2 4.35Å; V40-Y42 HydrophobicContact CG1-CG 4.44Å; Y42-Y46 AromaticContact CD1-CD1 3.44Å; Y42-Y46 HydrophobicContact CD1-CD1 3.44Å; Y42-Y46 VanDerWaalsContact CD1-CD1 3.44Å; Y42-Y46 AromaticContact CD1-CE1 3.28Å; Y42-Y46 HydrophobicContact CD1-CE1 3.28Å; Y42-Y46 HydrophobicContact CE1-CD1 4.29Å; Y42-Y46 AromaticContact CE1-CE1 3.67Å; Y42-Y46 HydrophobicContact CE1-CE1 3.67Å; Y42-Y46 HydrophobicContact CG-CD1 4.16Å; Y42-Y46 HydrophobicContact CG-CE1 4.33Å
43	S	63.4	Low	64.5	Low	37 Å²	37	80.4 Å²	80.4	26%	0.259	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-64.8	151.6	173.3	65	0	0	0	0	110.5	W41 D45 Y46 I47	W41-S43 VanDerWaalsContact CH2-CA 3.43Å; S43-D45 PolarHBondContact O-N 3.42Å; S43-Y46 CarbonylContact O-C 3.59Å; S43-Y46 WeakPolarHBondContact O-CA 3.35Å; S43-Y46 WeakPolarHBondContact O-CB 3.48Å; S43-Y46 PolarHBondContact O-N 2.8Å; S43-Y46 VanDerWaalsContact OG-CB 3.23Å; S43-Y46 WeakPolarHBondContact OG-CB 3.45Å; S43-Y46 PolarHBondContact OG-N 2.86Å; S43-I47 PolarHBondContact O-N 3.42Å
44	D	60.1	Low	63.2	Low	118 Å²	118	76 Å²	76	63%	0.631	42%	0.421	S	S	*	.	H	α-helix	trans	-55.4	-36.6	174	-67.2	-33	0	0	0	110.9	Y46 I47 Q48	D44-Y46 PolarHBondContact O-N 2.98Å; D44-I47 PolarHBondContact O-N 3.46Å; D44-Q48 WeakPolarHBondContact O-CB 3.48Å; D44-Q48 WeakPolarHBondContact O-CG 3.45Å; D44-Q48 PolarHBondContact O-N 2.92Å
45	D	55.7	Low	61.9	Low	108 Å²	108	75.6 Å²	75.6	58%	0.578	40%	0.399	S	S	*	.	H	α-helix	trans	-63.9	-34.5	171.7	-72.8	-4.9	0	0	0	113.8	S43 K49	S43-D45 PolarHBondContact O-N 3.42Å; D45-K49 WeakPolarHBondContact O-CB 3.5Å; D45-K49 WeakPolarHBondContact O-CG 3.37Å; D45-K49 PolarHBondContact O-N 2.73Å
46	Y	60.5	Low	60.3	Low	37 Å²	37	76.1 Å²	76.1	15%	0.145	38%	0.383	C	S	.	.	H	α-helix	trans	-76	-38.9	177.8	-179.3	-92.4	0	0	0	111.2	A17 Y42 S43 D44 Q48 K49 L50	A17-Y46 HydrophobicContact CB-CE1 4.08Å; A17-Y46 HydrophobicContact CB-CE2 4.29Å; A17-Y46 WeakPolarHBondContact CB-OH 3.26Å; Y42-Y46 AromaticContact CD1-CD1 3.44Å; Y42-Y46 HydrophobicContact CD1-CD1 3.44Å; Y42-Y46 VanDerWaalsContact CD1-CD1 3.44Å; Y42-Y46 AromaticContact CD1-CE1 3.28Å; Y42-Y46 HydrophobicContact CD1-CE1 3.28Å; Y42-Y46 HydrophobicContact CE1-CD1 4.29Å; Y42-Y46 AromaticContact CE1-CE1 3.67Å; Y42-Y46 HydrophobicContact CE1-CE1 3.67Å; Y42-Y46 HydrophobicContact CG-CD1 4.16Å; Y42-Y46 HydrophobicContact CG-CE1 4.33Å; S43-Y46 CarbonylContact O-C 3.59Å; S43-Y46 WeakPolarHBondContact O-CA 3.35Å; S43-Y46 WeakPolarHBondContact O-CB 3.48Å; S43-Y46 PolarHBondContact O-N 2.8Å; S43-Y46 VanDerWaalsContact OG-CB 3.23Å; S43-Y46 WeakPolarHBondContact OG-CB 3.45Å; S43-Y46 PolarHBondContact OG-N 2.86Å; D44-Y46 PolarHBondContact O-N 2.98Å; Y46-Q48 VanDerWaalsContact C-N 3.34Å; Y46-K49 PolarHBondContact O-N 3.35Å; Y46-L50 HydrophobicContact CD1-CD1 3.68Å; Y46-L50 HydrophobicContact CE1-CD1 3.1Å; Y46-L50 PolarHBondContact O-N 3.28Å
47	I	58.6	Low	58.7	Low	67 Å²	67	76.5 Å²	76.5	34%	0.344	39%	0.392	S	S	.	.	H	α-helix	trans	-64.3	-42.4	172.2	-62.9	-177.1	0	0	0	109.8	S43 D44 K49 L50 Q51	S43-I47 PolarHBondContact O-N 3.42Å; D44-I47 PolarHBondContact O-N 3.46Å; I47-K49 VanDerWaalsContact C-N 3.34Å; I47-K49 PolarHBondContact O-N 3.32Å; I47-L50 PolarHBondContact O-N 3.05Å; I47-Q51 WeakPolarHBondContact O-CB 3.28Å; I47-Q51 WeakPolarHBondContact O-CG 3.48Å; I47-Q51 PolarHBondContact O-N 3.14Å
48	Q	53.8	Low	56.8	Low	115 Å²	115	76.4 Å²	76.4	54%	0.537	39%	0.391	S	S	.	.	H	α-helix	trans	-63.3	-35.9	173.3	-79.3	-177.8	5	0	0	112.5	D44 Y46 Q51 C52	D44-Q48 WeakPolarHBondContact O-CB 3.48Å; D44-Q48 WeakPolarHBondContact O-CG 3.45Å; D44-Q48 PolarHBondContact O-N 2.92Å; Y46-Q48 VanDerWaalsContact C-N 3.34Å; Q48-Q51 PolarHBondContact O-N 3.43Å; Q48-C52 VanDerWaalsContact O-CB 3.28Å; Q48-C52 WeakPolarHBondContact O-CB 3.46Å; Q48-C52 PolarHBondContact O-N 2.9Å; Q48-C52 PolarHBondContact O-SG 3.5Å
49	K	55.9	Low	54.4	Low	145 Å²	145	77 Å²	77	63%	0.63	40%	0.395	S	S	*	.	H	α-helix	trans	-69.3	-37.2	172.5	-80	173.6	-177.5	174.1	0	113	D45 Y46 I47 C52 V53	D45-K49 WeakPolarHBondContact O-CB 3.5Å; D45-K49 WeakPolarHBondContact O-CG 3.37Å; D45-K49 PolarHBondContact O-N 2.73Å; Y46-K49 PolarHBondContact O-N 3.35Å; I47-K49 VanDerWaalsContact C-N 3.34Å; I47-K49 PolarHBondContact O-N 3.32Å; K49-C52 PolarHBondContact O-N 3.17Å; K49-V53 VanDerWaalsContact O-CG2 3.25Å; K49-V53 WeakPolarHBondContact O-CG2 3.31Å; K49-V53 PolarHBondContact O-N 2.83Å
50	L	54.5	Low	52.3	Low	71 Å²	71	84 Å²	84	37%	0.372	42%	0.422	S	S	.	.	H	α-helix	trans	-66.4	-39.2	173.2	-110.8	133.2	0	0	0	111.9	I24 Y46 I47 S54	I24-L50 HydrophobicContact CD1-CD2 4.47Å; Y46-L50 HydrophobicContact CD1-CD1 3.68Å; Y46-L50 HydrophobicContact CE1-CD1 3.1Å; Y46-L50 PolarHBondContact O-N 3.28Å; I47-L50 PolarHBondContact O-N 3.05Å; L50-S54 WeakPolarHBondContact O-CB 3.15Å; L50-S54 PolarHBondContact O-N 2.9Å
51	Q	46.6	Very low	50.1	Low	113 Å²	113	90.6 Å²	90.6	53%	0.528	46%	0.457	S	S	.	.	H	α-helix	trans	-69.1	-38.9	172.9	-73	177.4	-16	0	0	111.4	I47 Q48 S54 Q55	I47-Q51 WeakPolarHBondContact O-CB 3.28Å; I47-Q51 WeakPolarHBondContact O-CG 3.48Å; I47-Q51 PolarHBondContact O-N 3.14Å; Q48-Q51 PolarHBondContact O-N 3.43Å; Q51-S54 CarbonylContact O-C 3.53Å; Q51-S54 WeakPolarHBondContact O-CB 3.37Å; Q51-S54 PolarHBondContact O-N 3.4Å; Q51-Q55 WeakPolarHBondContact O-CB 3.11Å; Q51-Q55 PolarHBondContact O-N 3.46Å; Q51-Q55 PolarHBondContact O-OE1 2.95Å
52	C	45.8	Very low	48	Very low	68 Å²	68	93.1 Å²	93.1	46%	0.459	48%	0.475	S	S	.	.	H	α-helix	trans	-66.3	-37.7	173.2	-75.6	0	0	0	0	112.2	Q48 K49 S54 Q55 D56	Q48-C52 VanDerWaalsContact O-CB 3.28Å; Q48-C52 WeakPolarHBondContact O-CB 3.46Å; Q48-C52 PolarHBondContact O-N 2.9Å; Q48-C52 PolarHBondContact O-SG 3.5Å; K49-C52 PolarHBondContact O-N 3.17Å; C52-S54 VanDerWaalsContact C-N 3.34Å; C52-Q55 CarbonylContact O-C 3.49Å; C52-Q55 PolarHBondContact O-N 2.94Å; C52-D56 WeakPolarHBondContact O-CA 3.46Å; C52-D56 WeakPolarHBondContact O-CB 3.44Å; C52-D56 PolarHBondContact O-N 3.44Å
53	V	43.5	Very low	45.8	Very low	66 Å²	66	97.7 Å²	97.7	40%	0.4	50%	0.502	S	S	.	.	H	α-helix	trans	-69.4	-34.5	174.6	173	0	0	0	0	111.3	K49 S57	K49-V53 VanDerWaalsContact O-CG2 3.25Å; K49-V53 WeakPolarHBondContact O-CG2 3.31Å; K49-V53 PolarHBondContact O-N 2.83Å; V53-S57 VanDerWaalsContact O-CB 3.29Å; V53-S57 WeakPolarHBondContact O-CB 3.48Å; V53-S57 PolarHBondContact O-N 3Å; V53-S57 PolarHBondContact O-OG 3.28Å
54	S	46.7	Very low	44.2	Very low	58 Å²	58	103 Å²	103	41%	0.406	53%	0.533	S	S	.	.	H	α-helix	trans	-62.6	-47.1	168.4	160.7	0	0	0	0	110.8	L50 Q51 C52 S57 I58	L50-S54 WeakPolarHBondContact O-CB 3.15Å; L50-S54 PolarHBondContact O-N 2.9Å; Q51-S54 CarbonylContact O-C 3.53Å; Q51-S54 WeakPolarHBondContact O-CB 3.37Å; Q51-S54 PolarHBondContact O-N 3.4Å; C52-S54 VanDerWaalsContact C-N 3.34Å; S54-S57 PolarHBondContact O-N 3.07Å; S54-S57 PolarHBondContact O-OG 3.07Å; S54-I58 WeakPolarHBondContact O-CD1 3.38Å; S54-I58 WeakPolarHBondContact O-CG1 3.4Å; S54-I58 PolarHBondContact O-N 3.22Å; S54-I58 VanDerWaalsContact O-N 3.11Å
55	Q	36.2	Very low	42.5	Very low	106 Å²	106	100.3 Å²	100.3	50%	0.495	53%	0.533	S	S	.	.	H	α-helix	trans	-67.5	-35.5	176.9	-123.9	90.1	23.4	0	0	112.6	Q51 C52 I58 N59	Q51-Q55 WeakPolarHBondContact O-CB 3.11Å; Q51-Q55 PolarHBondContact O-N 3.46Å; Q51-Q55 PolarHBondContact O-OE1 2.95Å; C52-Q55 CarbonylContact O-C 3.49Å; C52-Q55 PolarHBondContact O-N 2.94Å; Q55-I58 CarbonylContact O-C 3.56Å; Q55-I58 WeakPolarHBondContact O-CB 3.36Å; Q55-I58 PolarHBondContact O-N 3.34Å; Q55-N59 WeakPolarHBondContact O-CB 3.42Å; Q55-N59 PolarHBondContact O-N 2.93Å; Q55-N59 PolarHBondContact O-ND2 3.1Å; Q55-N59 PolarHBondContact O-OD1 3.01Å
56	D	36.4	Very low	41.4	Very low	92 Å²	92	101.6 Å²	101.6	49%	0.492	55%	0.548	S	S	.	.	H	α-helix	trans	-75	-31.3	178.5	-74.2	-24.8	0	0	0	111	C52 I58 R60	C52-D56 WeakPolarHBondContact O-CA 3.46Å; C52-D56 WeakPolarHBondContact O-CB 3.44Å; C52-D56 PolarHBondContact O-N 3.44Å; D56-I58 VanDerWaalsContact C-N 3.26Å; D56-R60 VanDerWaalsContact O-CB 3.29Å; D56-R60 WeakPolarHBondContact O-CB 3.46Å; D56-R60 WeakPolarHBondContact O-CG 3.33Å; D56-R60 PolarHBondContact O-N 3.27Å
57	S	40.7	Very low	39.8	Very low	68 Å²	68	108.5 Å²	108.5	48%	0.476	58%	0.581	S	S	.	*	H	α-helix	trans	-68.8	-27.3	168	79.6	0	0	0	0	112.4	V53 S54 N61	V53-S57 VanDerWaalsContact O-CB 3.29Å; V53-S57 WeakPolarHBondContact O-CB 3.48Å; V53-S57 PolarHBondContact O-N 3Å; V53-S57 PolarHBondContact O-OG 3.28Å; S54-S57 PolarHBondContact O-N 3.07Å; S54-S57 PolarHBondContact O-OG 3.07Å; S57-N61 PolarHBondContact O-ND2 3.22Å
58	I	37	Very low	38.2	Very low	80 Å²	80	112.3 Å²	112.3	41%	0.41	61%	0.608	S	S	.	*	H	α-helix	trans	-83.5	-39.5	174.7	-67.2	163.8	0	0	0	110.4	S54 Q55 D56 N61 L62	S54-I58 WeakPolarHBondContact O-CD1 3.38Å; S54-I58 WeakPolarHBondContact O-CG1 3.4Å; S54-I58 PolarHBondContact O-N 3.22Å; S54-I58 VanDerWaalsContact O-N 3.11Å; Q55-I58 CarbonylContact O-C 3.56Å; Q55-I58 WeakPolarHBondContact O-CB 3.36Å; Q55-I58 PolarHBondContact O-N 3.34Å; D56-I58 VanDerWaalsContact C-N 3.26Å; I58-N61 PolarHBondContact O-N 3.39Å; I58-L62 HydrophobicContact CG2-CD1 3.83Å; I58-L62 WeakPolarHBondContact O-CG 3.43Å; I58-L62 PolarHBondContact O-N 3.12Å
59	N	33	Very low	36.9	Very low	73 Å²	73	111.3 Å²	111.3	39%	0.39	61%	0.614	S	S	.	*	H	α-helix	trans	-79.2	-32.4	-176.9	-69.6	-16.9	0	0	0	112.6	Q55 N61 L62 D63	Q55-N59 WeakPolarHBondContact O-CB 3.42Å; Q55-N59 PolarHBondContact O-N 2.93Å; Q55-N59 PolarHBondContact O-ND2 3.1Å; Q55-N59 PolarHBondContact O-OD1 3.01Å; N59-N61 PolarHBondContact O-N 3.46Å; N59-N61 VanDerWaalsContact O-N 3.17Å; N59-L62 PolarHBondContact O-N 3.24Å; N59-D63 PolarHBondContact O-N 3.04Å
60	R	36.4	Very low	35.3	Very low	228 Å²	228	111 Å²	111	86%	0.86	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.7	-18.7	168.4	-79.9	-164.7	85.5	-179.7	7	113.1	D56	D56-R60 VanDerWaalsContact O-CB 3.29Å; D56-R60 WeakPolarHBondContact O-CB 3.46Å; D56-R60 WeakPolarHBondContact O-CG 3.33Å; D56-R60 PolarHBondContact O-N 3.27Å
61	N	36.9	Very low	33.9	Very low	139 Å²	139	114 Å²	114	74%	0.743	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-2.7	173.2	-73.4	-48.1	0	0	0	113.1	S57 I58 N59	S57-N61 PolarHBondContact O-ND2 3.22Å; I58-N61 PolarHBondContact O-N 3.39Å; N59-N61 PolarHBondContact O-N 3.46Å; N59-N61 VanDerWaalsContact O-N 3.17Å
62	L	33.2	Very low	32.9	Very low	121 Å²	121	114.8 Å²	114.8	63%	0.634	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.3	-9	-173.6	-70.5	171.5	0	0	0	115.3	I58 N59 T64	I58-L62 HydrophobicContact CG2-CD1 3.83Å; I58-L62 WeakPolarHBondContact O-CG 3.43Å; I58-L62 PolarHBondContact O-N 3.12Å; N59-L62 PolarHBondContact O-N 3.24Å; L62-T64 PolarHBondContact O-N 3.22Å
63	D	26.6	Very low	31.8	Very low	142 Å²	142	119.9 Å²	119.9	76%	0.759	68%	0.677	S	S	*	*			trans	-91.6	82.8	176.4	-88.6	-26.5	0	0	0	113.7	N59	N59-D63 PolarHBondContact O-N 3.04Å
64	T	30.3	Very low	30.8	Very low	147 Å²	147	121.2 Å²	121.2	90%	0.902	69%	0.689	S	S	*	*	S	Bend	trans	-128.7	84.7	139.7	29.4	0	0	0	0	109.5	L62	L62-T64 PolarHBondContact O-N 3.22Å
65	G	25.1	Very low	29.7	Very low	62 Å²	62	128 Å²	128	64%	0.639	71%	0.712	S	S	*	*	S	Bend	trans	85.9	160.2	157.5	0	0	0	0	0	118.1
66	P	31.9	Very low	29.1	Very low	135 Å²	135	131.9 Å²	131.9	88%	0.877	73%	0.73	S	S	*	*				-107	167.2	-98.9	36.4	-34.9	0	0	0	115.9
67	E	27.5	Very low	28.4	Very low	182 Å²	182	137 Å²	137	85%	0.85	75%	0.747	S	S	*	*			trans	-44.5	149.1	-173.7	-55.2	-176.8	155.4	0	0	118.3
68	T	24.5	Very low	27.4	Very low	147 Å²	147	142.6 Å²	142.6	90%	0.902	77%	0.766	S	S	*	*				-165.7	149	118.8	22.3	0	0	0	0	112.9
69	S	25.5	Very low	26.7	Very low	95 Å²	95	146.5 Å²	146.5	66%	0.664	79%	0.787	S	S	*	*			trans	-64.8	150.9	-168.5	53.2	0	0	0	0	119.2
70	T	22.8	Very low	26.1	Very low	139 Å²	139	148 Å²	148	85%	0.853	80%	0.804	S	S	*	*				155.4	140.6	112.3	41.9	0	0	0	0	113.4
71	V	24.4	Very low	25.4	Very low	132 Å²	132	143.9 Å²	143.9	80%	0.8	80%	0.803	S	S	*	*			trans	-93.2	150.2	177.2	175.5	0	0	0	0	110.2
72	P	27.2	Very low	24.8	Very low	130 Å²	130	143 Å²	143	84%	0.844	81%	0.805	S	S	*	*				-146.8	172.8	113.5	30	-8.4	0	0	0	117
73	Q	22.2	Very low	24.2	Very low	175 Å²	175	147.1 Å²	147.1	82%	0.818	82%	0.818	S	S	*	*			trans	-84.5	165.4	-161.5	-63.6	163.2	-40.9	0	0	117.7
74	S	23.2	Very low	24	Very low	94 Å²	94	148.8 Å²	148.8	66%	0.657	83%	0.826	S	S	*	*			trans	79.8	133.2	145.1	73.6	0	0	0	0	120.3
75	F	23.3	Very low	23.6	Very low	202 Å²	202	147.9 Å²	147.9	89%	0.886	82%	0.824	S	S	*	*				176.7	127.2	117.2	-97.6	-73.4	0	0	0	112.2
76	H	22.5	Very low	23.4	Very low	187 Å²	187	151.7 Å²	151.7	87%	0.866	84%	0.835	S	S	*	*			trans	-76.4	143.4	164.5	-87.4	-96	0	0	0	110.9
77	K	22.7	Very low	22.9	Very low	198 Å²	198	149 Å²	149	86%	0.861	83%	0.832	S	S	*	*			trans	-157.7	122.5	151.3	-134.8	171.8	-175.9	176	0	113.1
78	E	20.2	Very low	22.6	Very low	186 Å²	186	150.4 Å²	150.4	87%	0.869	84%	0.835	S	S	*	*			trans	-67.1	150.3	165.1	-65.5	174.7	140.8	0	0	111.3
79	L	21.9	Very low	22.5	Very low	162 Å²	162	153.1 Å²	153.1	85%	0.848	84%	0.837	S	S	*	*			trans	-152.8	148.3	156.2	-103.3	132.1	0	0	0	112.7
80	S	20.7	Very low	22.3	Very low	106 Å²	106	154 Å²	154	74%	0.741	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-84	157.4	-157.3	38.8	0	0	0	0	117.2
81	V	20.7	Very low	22.3	Very low	140 Å²	140	153.9 Å²	153.9	85%	0.848	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-92	140.4	177.9	-178	0	0	0	0	112
82	P	24.4	Very low	22.1	Very low	120 Å²	120	157 Å²	157	78%	0.779	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-98.6	146.9	166.2	14.3	4.5	0	0	0	113.9
83	K	21	Very low	22	Very low	209 Å²	209	159.9 Å²	159.9	91%	0.909	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-80.6	149.3	177.8	-69.7	173.7	175.2	176.3	0	112.3
84	L	22.1	Very low	22.2	Very low	177 Å²	177	157.5 Å²	157.5	93%	0.927	86%	0.855	S	S	*	*			trans	-113.4	136.9	173.1	-152.1	77.7	0	0	0	111.8
85	C	21.1	Very low	22.3	Very low	127 Å²	127	160.8 Å²	160.8	86%	0.858	87%	0.865	S	S	*	*			trans	-82.3	147.5	-176.8	-68.5	0	0	0	0	113.5
86	T	21.7	Very low	22.3	Very low	143 Å²	143	154.4 Å²	154.4	88%	0.877	86%	0.856	S	S	*	*			trans	-85.7	136.1	174.4	47.2	0	0	0	0	112.6
87	G	21.7	Very low	22.5	Very low	79 Å²	79	154 Å²	154	81%	0.814	85%	0.854	S	S	*	*			trans	-132.8	118.9	164.4	0	0	0	0	0	110.5
88	K	22	Very low	22.6	Very low	210 Å²	210	148.6 Å²	148.6	91%	0.913	84%	0.84	S	S	*	*			trans	-89.8	137.7	174	-79.1	178.8	172.8	-180	0	109.7
89	Q	21.8	Very low	23.3	Very low	204 Å²	204	144.4 Å²	144.4	95%	0.953	83%	0.829	S	S	*	*			trans	-151.5	135	152.5	-111.5	170.1	0.6	0	0	110.4
90	S	21.6	Very low	23.8	Very low	113 Å²	113	140.9 Å²	140.9	79%	0.79	82%	0.823	S	S	*	*			trans	-99	145.1	-171.9	48	0	0	0	0	112.1
91	C	21	Very low	24.7	Very low	137 Å²	137	144.6 Å²	144.6	93%	0.926	83%	0.825	S	S	*	*			trans	-151.9	139.8	156.9	-104.1	0	0	0	0	111.1
92	E	22.1	Very low	25.3	Very low	198 Å²	198	145 Å²	145	93%	0.925	82%	0.816	S	S	*	*			trans	-83.1	148.5	-176.8	-61.3	-177.4	141.6	0	0	112.2
93	E	23.2	Very low	25.8	Very low	190 Å²	190	144.6 Å²	144.6	89%	0.888	80%	0.802	S	S	*	*			trans	-108.1	153.9	167.4	-78.7	-165.1	151.7	0	0	111.1
94	P	27.3	Very low	26.6	Very low	126 Å²	126	142 Å²	142	82%	0.818	79%	0.791	S	S	*	*			trans	-103.8	124.6	162.7	34.2	-23	0	0	0	113.7
95	D	24.8	Very low	27.5	Very low	163 Å²	163	137.5 Å²	137.5	87%	0.872	77%	0.766	S	S	*	*			trans	22.2	124.4	152	-128.2	-9.8	0	0	0	123.8
96	G	24.3	Very low	28.3	Very low	67 Å²	67	135.8 Å²	135.8	69%	0.691	75%	0.749	S	S	*	*			trans	-171.2	107	162.8	0	0	0	0	0	110.5
97	Q	26.3	Very low	29.4	Very low	178 Å²	178	133.7 Å²	133.7	83%	0.832	73%	0.732	S	S	*	*			trans	-64.9	136.1	-170.7	-79.4	173.3	-25.7	0	0	115.9
98	P	25.5	Very low	30.7	Very low	85 Å²	85	132.6 Å²	132.6	55%	0.552	71%	0.707	S	S	*	*			trans	-111.4	165.6	157.8	25.5	-7.5	0	0	0	113.2
99	P	33.8	Very low	31.7	Very low	99 Å²	99	124 Å²	124	64%	0.643	67%	0.669	S	S	*	*			trans	-72.8	144	-158	29.3	-35	0	0	0	113.6	K101 K102	P99-K101 PolarHBondContact O-N 3.08Å; P99-K102 PolarHBondContact O-N 3.14Å
100	A	31.8	Very low	32.9	Very low	87 Å²	87	119.6 Å²	119.6	72%	0.719	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.2	-4.9	-168.8	0	0	0	0	0	117.4
101	K	39.8	Very low	33.9	Very low	184 Å²	184	118.3 Å²	118.3	80%	0.8	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-25.4	-179.8	-67	-173.8	177.4	-173.4	0	114.3	P99	P99-K101 PolarHBondContact O-N 3.08Å
102	K	33.6	Very low	35	Very low	148 Å²	148	112.6 Å²	112.6	64%	0.643	59%	0.592	S	S	*	*	H	α-helix	trans	-72.1	-35.4	173.4	-134.1	176.3	-177.2	-178.6	0	111.4	P99 K104 I105 D106	P99-K102 PolarHBondContact O-N 3.14Å; K102-K104 VanDerWaalsContact C-N 3.29Å; K102-K104 PolarHBondContact O-N 3.11Å; K102-I105 PolarHBondContact O-N 3.32Å; K102-I105 VanDerWaalsContact O-N 3.16Å; K102-D106 PolarHBondContact O-N 2.94Å
103	K	36	Very low	35.9	Very low	112 Å²	112	107 Å²	107	49%	0.487	57%	0.568	S	S	.	*	H	α-helix	trans	-57.8	-33.6	177.2	-70.9	-172.8	176.6	-175.9	0	114.1	L107	K103-L107 VanDerWaalsContact O-CB 3.25Å; K103-L107 WeakPolarHBondContact O-CB 3.12Å; K103-L107 VanDerWaalsContact O-CD1 3.27Å; K103-L107 WeakPolarHBondContact O-CD1 3.43Å; K103-L107 WeakPolarHBondContact O-CG 3.3Å; K103-L107 PolarHBondContact O-N 3.2Å
104	K	38	Very low	37	Very low	155 Å²	155	102.9 Å²	102.9	67%	0.674	55%	0.549	S	S	*	.	H	α-helix	trans	-71.7	-36.3	-179.1	-151.2	178.2	-174.1	-174.2	0	111.6	K102 I108	K102-K104 VanDerWaalsContact C-N 3.29Å; K102-K104 PolarHBondContact O-N 3.11Å; K104-I108 WeakPolarHBondContact O-CD1 3.2Å; K104-I108 WeakPolarHBondContact O-CG1 3.23Å; K104-I108 PolarHBondContact O-N 3.33Å
105	I	40.9	Very low	37.8	Very low	82 Å²	82	98.4 Å²	98.4	42%	0.421	52%	0.523	S	S	.	.	H	α-helix	trans	-72.6	-44.8	176.1	-66	176.9	0	0	0	109.8	K102 L107 I108 F109	K102-I105 PolarHBondContact O-N 3.32Å; K102-I105 VanDerWaalsContact O-N 3.16Å; I105-L107 VanDerWaalsContact C-N 3.35Å; I105-L107 PolarHBondContact O-N 3.04Å; I105-I108 PolarHBondContact O-N 3.38Å; I105-F109 HydrophobicContact CG2-CD2 3.6Å; I105-F109 HydrophobicContact CG2-CE2 3.27Å; I105-F109 HydrophobicContact CG2-CZ 4.46Å; I105-F109 WeakPolarHBondContact O-CD2 3.4Å; I105-F109 PolarHBondContact O-N 2.93Å
106	D	37.8	Very low	38.6	Very low	92 Å²	92	92.2 Å²	92.2	49%	0.492	49%	0.492	S	S	.	.	H	α-helix	trans	-64.7	-35.3	177.4	-65.6	-32.4	0	0	0	113	K102 F109 K110	K102-D106 PolarHBondContact O-N 2.94Å; D106-F109 PolarHBondContact O-N 3.32Å; D106-K110 WeakPolarHBondContact O-CB 3.3Å; D106-K110 PolarHBondContact O-N 3.21Å
107	L	44.6	Very low	39.3	Very low	98 Å²	98	95.6 Å²	95.6	51%	0.513	49%	0.494	S	S	.	.	H	α-helix	trans	-65.1	-44.8	172.8	-81	159.9	0	0	0	111.5	K103 I105 F109 K110 D111	K103-L107 VanDerWaalsContact O-CB 3.25Å; K103-L107 WeakPolarHBondContact O-CB 3.12Å; K103-L107 VanDerWaalsContact O-CD1 3.27Å; K103-L107 WeakPolarHBondContact O-CD1 3.43Å; K103-L107 WeakPolarHBondContact O-CG 3.3Å; K103-L107 PolarHBondContact O-N 3.2Å; I105-L107 VanDerWaalsContact C-N 3.35Å; I105-L107 PolarHBondContact O-N 3.04Å; L107-F109 VanDerWaalsContact C-N 3.31Å; L107-F109 PolarHBondContact O-N 3.39Å; L107-K110 PolarHBondContact O-N 2.59Å; L107-D111 PolarHBondContact O-N 2.74Å
108	I	48.2	Very low	39.9	Very low	57 Å²	57	95 Å²	95	29%	0.292	49%	0.491	S	S	.	.	H	α-helix	trans	-61.3	-40.3	176.2	-67.4	162	0	0	0	111.1	K104 I105 D111 V112 Q535	K104-I108 WeakPolarHBondContact O-CD1 3.2Å; K104-I108 WeakPolarHBondContact O-CG1 3.23Å; K104-I108 PolarHBondContact O-N 3.33Å; I105-I108 PolarHBondContact O-N 3.38Å; I108-D111 PolarHBondContact O-N 3.09Å; I108-V112 WeakPolarHBondContact O-CG2 3.45Å; I108-V112 PolarHBondContact O-N 2.65Å; I108-V112 VanDerWaalsContact O-N 3.15Å; I108-Q535 HydrophobicContact CG2-CG 4.46Å
109	F	43.1	Very low	40.6	Very low	28 Å²	28	94.4 Å²	94.4	12%	0.123	48%	0.483	C	S	.	.	H	α-helix	trans	-71.3	-34.4	177.9	-77.2	-62.2	0	0	0	113.4	I105 D106 L107 L113 Y542 R568	I105-F109 HydrophobicContact CG2-CD2 3.6Å; I105-F109 HydrophobicContact CG2-CE2 3.27Å; I105-F109 HydrophobicContact CG2-CZ 4.46Å; I105-F109 WeakPolarHBondContact O-CD2 3.4Å; I105-F109 PolarHBondContact O-N 2.93Å; D106-F109 PolarHBondContact O-N 3.32Å; L107-F109 VanDerWaalsContact C-N 3.31Å; L107-F109 PolarHBondContact O-N 3.39Å; F109-L113 WeakPolarHBondContact O-CB 3.25Å; F109-L113 WeakPolarHBondContact O-CD1 3.4Å; F109-L113 WeakPolarHBondContact O-CG 3.44Å; F109-L113 PolarHBondContact O-N 3.46Å; F109-Y542 HydrophobicContact CD1-CE2 4.28Å; F109-Y542 HydrophobicContact CE1-CD2 4.36Å; F109-Y542 AromaticContact CE1-CE2 3.77Å; F109-Y542 HydrophobicContact CE1-CE2 3.77Å; F109-R568 HydrophobicContact CD2-CG 4.38Å; F109-R568 HydrophobicContact CE1-CG 3.88Å; F109-R568 HydrophobicContact CE2-CG 3.61Å; F109-R568 HydrophobicContact CZ-CG 3.36Å
110	K	46.3	Very low	40.3	Very low	112 Å²	112	95.7 Å²	95.7	49%	0.487	49%	0.493	S	S	.	.	H	α-helix	trans	-62.9	-44.4	173.4	-173.8	179.7	171.5	-175.2	0	110.8	D106 L107 V112 L113 E114	D106-K110 WeakPolarHBondContact O-CB 3.3Å; D106-K110 PolarHBondContact O-N 3.21Å; L107-K110 PolarHBondContact O-N 2.59Å; K110-V112 PolarHBondContact O-N 2.85Å; K110-L113 PolarHBondContact O-N 3.11Å; K110-E114 WeakPolarHBondContact CE-OE1 3.44Å; K110-E114 HydrophobicContact CG-CG 4.43Å; K110-E114 IonicContact NZ-OE1 2.61Å; K110-E114 WeakPolarHBondContact O-CB 3.37Å; K110-E114 WeakPolarHBondContact O-CG 3.49Å; K110-E114 PolarHBondContact O-N 3.23Å
111	D	44.3	Very low	40.1	Very low	87 Å²	87	97 Å²	97	47%	0.465	49%	0.492	S	S	.	.	H	α-helix	trans	-65.6	-38.7	180	-61.3	-16.1	0	0	0	112	L107 I108 A115	L107-D111 PolarHBondContact O-N 2.74Å; I108-D111 PolarHBondContact O-N 3.09Å; D111-A115 WeakPolarHBondContact O-CB 3.41Å; D111-A115 PolarHBondContact O-N 3.32Å; D111-A115 VanDerWaalsContact O-N 3.16Å
112	V	43.5	Very low	39.5	Very low	16 Å²	16	97.7 Å²	97.7	10%	0.097	50%	0.495	C	S	.	.	H	α-helix	trans	-69.3	-35.6	175.6	173.3	0	0	0	0	112.5	I108 K110 S116 I609	I108-V112 WeakPolarHBondContact O-CG2 3.45Å; I108-V112 PolarHBondContact O-N 2.65Å; I108-V112 VanDerWaalsContact O-N 3.15Å; K110-V112 PolarHBondContact O-N 2.85Å; V112-S116 PolarHBondContact O-N 2.86Å; V112-S116 PolarHBondContact O-OG 2.96Å; V112-I609 HydrophobicContact CG2-CD1 4.15Å
113	L	41.5	Very low	39.2	Very low	82 Å²	82	96.6 Å²	96.6	43%	0.429	50%	0.503	S	S	.	.	H	α-helix	trans	-75	-40.8	177.5	-82	163.2	0	0	0	112.4	F109 K110 S116 L117	F109-L113 WeakPolarHBondContact O-CB 3.25Å; F109-L113 WeakPolarHBondContact O-CD1 3.4Å; F109-L113 WeakPolarHBondContact O-CG 3.44Å; F109-L113 PolarHBondContact O-N 3.46Å; K110-L113 PolarHBondContact O-N 3.11Å; L113-S116 PolarHBondContact O-N 3.33Å; L113-S116 VanDerWaalsContact O-N 3.16Å; L113-L117 WeakPolarHBondContact O-CG 3.34Å; L113-L117 PolarHBondContact O-N 2.84Å
114	E	44.6	Very low	38.7	Very low	102 Å²	102	103.5 Å²	103.5	48%	0.477	53%	0.526	S	S	.	.	H	α-helix	trans	-63.7	-41.1	176.5	-77	-179.7	178.2	0	0	111.1	K110 S116 L117	K110-E114 WeakPolarHBondContact CE-OE1 3.44Å; K110-E114 HydrophobicContact CG-CG 4.43Å; K110-E114 IonicContact NZ-OE1 2.61Å; K110-E114 WeakPolarHBondContact O-CB 3.37Å; K110-E114 WeakPolarHBondContact O-CG 3.49Å; K110-E114 PolarHBondContact O-N 3.23Å; E114-S116 PolarHBondContact O-N 2.9Å; E114-L117 PolarHBondContact O-N 3.05Å
115	A	45.1	Very low	38	Very low	33 Å²	33	102.1 Å²	102.1	27%	0.273	54%	0.536	S	S	.	.	H	α-helix	trans	-63.5	-23.3	174	0	0	0	0	0	114.2	D111	D111-A115 WeakPolarHBondContact O-CB 3.41Å; D111-A115 PolarHBondContact O-N 3.32Å; D111-A115 VanDerWaalsContact O-N 3.16Å
116	S	42.1	Very low	37.2	Very low	32 Å²	32	102.1 Å²	102.1	22%	0.224	56%	0.556	C	S	.	*	H	α-helix	trans	-89.9	-21.6	-179.1	-62.8	0	0	0	0	113.6	V112 L113 E114	V112-S116 PolarHBondContact O-N 2.86Å; V112-S116 PolarHBondContact O-OG 2.96Å; L113-S116 PolarHBondContact O-N 3.33Å; L113-S116 VanDerWaalsContact O-N 3.16Å; E114-S116 PolarHBondContact O-N 2.9Å
117	L	38.6	Very low	36.4	Very low	139 Å²	139	103.2 Å²	103.2	73%	0.728	57%	0.571	S	S	*	*	H	α-helix	trans	-82.2	-19.8	-178	-75.4	167.7	0	0	0	113.6	L113 E114 D119	L113-L117 WeakPolarHBondContact O-CG 3.34Å; L113-L117 PolarHBondContact O-N 2.84Å; E114-L117 PolarHBondContact O-N 3.05Å; L117-D119 VanDerWaalsContact C-N 3.25Å; L117-D119 PolarHBondContact O-N 3.05Å
118	E	38.8	Very low	35.4	Very low	166 Å²	166	104 Å²	104	78%	0.776	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.9	-11.7	177.5	-65	-169.7	157.6	0	0	113.7
119	D	40.9	Very low	34.2	Very low	72 Å²	72	107.5 Å²	107.5	39%	0.385	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.1	-1	-167.8	-91.7	-26.5	0	0	0	116.1	L117 T121 R603	L117-D119 VanDerWaalsContact C-N 3.25Å; L117-D119 PolarHBondContact O-N 3.05Å; D119-T121 VanDerWaalsContact C-N 3.33Å; D119-T121 PolarHBondContact O-N 2.9Å; D119-R603 IonicContact OD1-CZ 2.71Å; D119-R603 IonicContact OD1-NE 2.77Å; D119-R603 PolarHBondContact OD1-NE 3.04Å; D119-R603 IonicContact OD1-NH2 3.1Å; D119-R603 PolarHBondContact OD1-NH2 3.19Å; D119-R603 IonicContact OD2-CZ 3.47Å; D119-R603 IonicContact OD2-NE 3.04Å; D119-R603 PolarHBondContact OD2-NE 3.14Å; D119-R603 IonicContact OD2-NH1 2.64Å; D119-R603 IonicContact OD2-NH2 3.61Å; D119-R603 PolarHBondContact OD2-NH2 2.6Å
120	C	27.6	Very low	33.3	Very low	125 Å²	125	112.3 Å²	112.3	85%	0.845	64%	0.643	S	S	*	*			trans	-83.4	9.2	-173	-104.7	0	0	0	0	116.2
121	T	26.9	Very low	32	Very low	114 Å²	114	113.8 Å²	113.8	70%	0.699	66%	0.656	S	S	*	*	S	Bend	trans	-127.4	87.5	-178.4	55.2	0	0	0	0	113.7	D119	D119-T121 VanDerWaalsContact C-N 3.33Å; D119-T121 PolarHBondContact O-N 2.9Å
122	K	26.6	Very low	30.9	Very low	200 Å²	200	116.8 Å²	116.8	87%	0.87	67%	0.671	S	S	*	*			trans	152.1	134.1	136.3	-82.5	159	-172.2	175.1	0	112.2
123	P	26.8	Very low	29.9	Very low	125 Å²	125	125.4 Å²	125.4	81%	0.812	71%	0.707	S	S	*	*			trans	-97	144	167.9	35.1	-27.3	0	0	0	111.5
124	R	25.4	Very low	28.9	Very low	256 Å²	256	127.6 Å²	127.6	97%	0.966	72%	0.724	S	S	*	*			trans	-138.6	131.6	157.9	-84.9	-167.8	171.2	178.9	-2.7	111.9
125	S	24.5	Very low	27.9	Very low	126 Å²	126	132.1 Å²	132.1	88%	0.881	75%	0.745	S	S	*	*			trans	-80.1	154.4	175	51.7	0	0	0	0	113.2
126	G	23.5	Very low	26.7	Very low	82 Å²	82	140 Å²	140	85%	0.845	77%	0.773	S	S	*	*			trans	159.1	111.6	157.1	0	0	0	0	0	114.5
127	S	21.8	Very low	25.7	Very low	116 Å²	116	142.7 Å²	142.7	81%	0.811	80%	0.797	S	S	*	*			trans	-68.8	158.8	178.7	64.7	0	0	0	0	114.2
128	S	22.2	Very low	25	Very low	114 Å²	114	144.8 Å²	144.8	80%	0.797	80%	0.803	S	S	*	*				175.5	139.2	115.6	43.2	0	0	0	0	112.2
129	V	23.4	Very low	24.2	Very low	130 Å²	130	143.3 Å²	143.3	79%	0.788	80%	0.801	S	S	*	*			trans	-99.6	150	173.5	174.9	0	0	0	0	108.3
130	P	24.1	Very low	23.3	Very low	130 Å²	130	148 Å²	148	84%	0.844	83%	0.826	S	S	*	*			trans	-134	162.4	132.1	26.8	-8.6	0	0	0	114.1
131	N	19.8	Very low	23.2	Very low	142 Å²	142	149.3 Å²	149.3	76%	0.759	82%	0.824	S	S	*	*			trans	-107.2	169.6	-159.9	-137.2	-17.2	0	0	0	111.3
132	L	21.6	Very low	23	Very low	151 Å²	151	150.9 Å²	150.9	79%	0.791	83%	0.833	S	S	*	*			trans	85.5	134.6	164.8	-58.8	154.5	0	0	0	115.5
133	K	21.6	Very low	22.8	Very low	197 Å²	197	147.2 Å²	147.2	86%	0.857	83%	0.833	S	S	*	*			cis	-166.7	150.6	38.7	-128.2	163.1	-173.2	-174.2	0	110
134	V	22	Very low	22.9	Very low	128 Å²	128	145.2 Å²	145.2	78%	0.776	84%	0.835	S	S	*	*			trans	-94.7	139	173	169.9	0	0	0	0	109.7
135	E	22	Very low	22.8	Very low	197 Å²	197	136.4 Å²	136.4	92%	0.921	82%	0.823	S	S	*	*			trans	-132.8	143.2	153.7	-82.7	-170	164.4	0	0	110.1
136	K	20.3	Very low	23.1	Very low	198 Å²	198	136.3 Å²	136.3	86%	0.861	82%	0.82	S	S	*	*			trans	-105.5	149.9	-174.9	-75.3	179.2	169.6	-175.2	0	111.3
137	A	22	Very low	23.2	Very low	89 Å²	89	138 Å²	138	74%	0.736	82%	0.819	S	S	*	*			trans	173.6	113.5	135.3	0	0	0	0	0	107.9
138	E	22.7	Very low	24	Very low	182 Å²	182	138.3 Å²	138.3	85%	0.85	82%	0.816	S	S	*	*				53.7	136	89.9	-73.5	-178.1	-168.8	0	0	113.5
139	D	21.9	Very low	24.6	Very low	135 Å²	135	136.1 Å²	136.1	72%	0.722	80%	0.801	S	S	*	*			cis	-174.1	143.9	-20.7	-124.2	-10.6	0	0	0	103.5
140	N	23.5	Very low	25.9	Very low	170 Å²	170	135.4 Å²	135.4	91%	0.909	79%	0.787	S	S	*	*			trans	-171.6	119.3	148.1	-97.6	-30.4	0	0	0	112.3
141	L	23.8	Very low	27	Very low	154 Å²	154	131.7 Å²	131.7	81%	0.806	76%	0.764	S	S	*	*			trans	-68.7	148.1	-179.9	-73.1	120.1	0	0	0	113.9
142	T	23.2	Very low	27.9	Very low	147 Å²	147	129.1 Å²	129.1	90%	0.902	76%	0.755	S	S	*	*			trans	-158	100	134.7	10.6	0	0	0	0	111
143	S	23.6	Very low	28.8	Very low	123 Å²	123	127.3 Å²	127.3	86%	0.86	75%	0.746	S	S	*	*			trans	7.7	125.9	146	141.2	0	0	0	0	119.6
144	G	27.9	Very low	30	Very low	83 Å²	83	119.3 Å²	119.3	86%	0.856	72%	0.715	S	S	*	*			trans	130.6	81.7	142.1	0	0	0	0	0	115.1
145	G	23.1	Very low	31.4	Very low	70 Å²	70	115.8 Å²	115.8	72%	0.722	69%	0.693	S	S	*	*			trans	-134	133	173.2	0	0	0	0	0	112
146	P	30.5	Very low	32.7	Very low	125 Å²	125	112.2 Å²	112.2	81%	0.812	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-77.6	141.2	-176.2	32.3	-32.5	0	0	0	111.5	T148	P146-T148 PolarHBondContact O-N 3.13Å
147	S	26	Very low	34	Very low	118 Å²	118	107.9 Å²	107.9	83%	0.825	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-66.7	118	-177.5	-63.3	0	0	0	0	112.9
148	T	38.2	Very low	35.4	Very low	121 Å²	121	108.1 Å²	108.1	74%	0.742	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-91.3	126.4	171.9	54.3	0	0	0	0	111.1	P146	P146-T148 PolarHBondContact O-N 3.13Å
149	S	36.6	Very low	37	Very low	68 Å²	68	106.3 Å²	106.3	48%	0.476	63%	0.63	S	S	.	*			trans	170	91.6	141.5	49.3	0	0	0	0	110.1	C151 C154	S149-C151 VanDerWaalsContact C-N 3.25Å; S149-C151 PolarHBondContact O-N 3.32Å; S149-C154 VanDerWaalsContact O-CB 3.25Å; S149-C154 WeakPolarHBondContact O-CB 3.49Å
150	F	49.1	Very low	39.1	Very low	115 Å²	115	105.1 Å²	105.1	50%	0.504	62%	0.616	S	S	.	*			trans	-92.5	51.1	168.9	-71	-82.3	0	0	0	111.4	V155 E673	F150-V155 HydrophobicContact CD1-CG2 4.25Å; F150-E673 WeakPolarHBondContact CD2-OE1 3.3Å; F150-E673 WeakPolarHBondContact CD2-OE2 3.49Å; F150-E673 VanDerWaalsContact CE2-OE1 3.25Å; F150-E673 WeakPolarHBondContact CE2-OE1 3.43Å
151	C	48.2	Very low	41.3	Very low	53 Å²	53	100.7 Å²	100.7	36%	0.358	59%	0.591	S	S	.	*			trans	-67.8	141.3	164.2	166.9	0	0	0	0	109.3	S149 N153 C154 V155	S149-C151 VanDerWaalsContact C-N 3.25Å; S149-C151 PolarHBondContact O-N 3.32Å; C151-N153 PolarHBondContact O-N 3.33Å; C151-N153 VanDerWaalsContact O-N 3.1Å; C151-N153 PolarHBondContact SG-N 3.27Å; C151-N153 VanDerWaalsContact SG-N 3.42Å; C151-C154 HydrophobicContact CB-CB 4.07Å; C151-C154 CarbonylContact O-C 3.57Å; C151-C154 VanDerWaalsContact O-CA 3.31Å; C151-C154 WeakPolarHBondContact O-CA 3.27Å; C151-C154 VanDerWaalsContact O-CB 3.28Å; C151-C154 WeakPolarHBondContact O-CB 3.45Å; C151-C154 PolarHBondContact O-N 3.31Å; C151-V155 PolarHBondContact O-N 3.41Å
152	P	38.8	Very low	43.3	Very low	88 Å²	88	98.7 Å²	98.7	57%	0.571	58%	0.581	S	S	*	*	H	α-helix	trans	-53.6	-32.4	176.1	-27.2	34	0	0	0	113.7	V155 K156	P152-V155 PolarHBondContact O-N 2.76Å; P152-K156 WeakPolarHBondContact O-CG 3.38Å; P152-K156 PolarHBondContact O-N 3.45Å
153	N	40.1	Very low	45.7	Very low	112 Å²	112	95.4 Å²	95.4	60%	0.599	56%	0.555	S	S	*	*	H	α-helix	trans	-73	-33.8	172.2	-69.6	-40.5	0	0	0	112.6	C151 V155 K156 L157	C151-N153 PolarHBondContact O-N 3.33Å; C151-N153 VanDerWaalsContact O-N 3.1Å; C151-N153 PolarHBondContact SG-N 3.27Å; C151-N153 VanDerWaalsContact SG-N 3.42Å; N153-V155 VanDerWaalsContact C-N 3.34Å; N153-K156 PolarHBondContact O-N 3.4Å; N153-L157 WeakPolarHBondContact O-CB 3.48Å; N153-L157 PolarHBondContact O-N 3.47Å
154	C	45.7	Very low	47.6	Very low	30 Å²	30	93 Å²	93	20%	0.203	53%	0.532	C	S	.	.	H	α-helix	trans	-67.8	-34.3	171.5	-65.2	0	0	0	0	111.7	S149 C151 L157 K158	S149-C154 VanDerWaalsContact O-CB 3.25Å; S149-C154 WeakPolarHBondContact O-CB 3.49Å; C151-C154 HydrophobicContact CB-CB 4.07Å; C151-C154 CarbonylContact O-C 3.57Å; C151-C154 VanDerWaalsContact O-CA 3.31Å; C151-C154 WeakPolarHBondContact O-CA 3.27Å; C151-C154 VanDerWaalsContact O-CB 3.28Å; C151-C154 WeakPolarHBondContact O-CB 3.45Å; C151-C154 PolarHBondContact O-N 3.31Å; C154-L157 PolarHBondContact O-N 2.94Å; C154-K158 VanDerWaalsContact O-CB 3.29Å; C154-K158 WeakPolarHBondContact O-CB 3.49Å; C154-K158 VanDerWaalsContact O-CG 3.25Å; C154-K158 WeakPolarHBondContact O-CG 3.15Å; C154-K158 PolarHBondContact O-N 3.07Å
155	V	52.3	Low	49.7	Very low	54 Å²	54	94.5 Å²	94.5	33%	0.327	52%	0.517	S	S	.	.	H	α-helix	trans	-69.4	-44.3	173.8	177.8	0	0	0	0	110.6	F150 C151 P152 N153 L157 K158 R159	F150-V155 HydrophobicContact CD1-CG2 4.25Å; C151-V155 PolarHBondContact O-N 3.41Å; P152-V155 PolarHBondContact O-N 2.76Å; N153-V155 VanDerWaalsContact C-N 3.34Å; V155-L157 VanDerWaalsContact C-N 3.3Å; V155-L157 PolarHBondContact O-N 2.85Å; V155-K158 PolarHBondContact O-N 3.12Å; V155-R159 WeakPolarHBondContact O-CB 3.32Å; V155-R159 PolarHBondContact O-N 2.75Å
156	K	48.5	Very low	52.1	Low	122 Å²	122	97.7 Å²	97.7	53%	0.53	51%	0.513	S	S	.	.	H	α-helix	trans	-59.6	-40.9	171.3	-74.7	179.3	-179.8	-176.9	0	111.8	P152 N153 R160	P152-K156 WeakPolarHBondContact O-CG 3.38Å; P152-K156 PolarHBondContact O-N 3.45Å; N153-K156 PolarHBondContact O-N 3.4Å; K156-R160 WeakPolarHBondContact O-CB 3.33Å; K156-R160 PolarHBondContact O-N 2.86Å
157	L	47.4	Very low	54.2	Low	107 Å²	107	96.4 Å²	96.4	56%	0.56	50%	0.496	S	S	*	.	H	α-helix	trans	-68.3	-45.5	177.6	-169.1	76.8	0	0	0	111.7	N153 C154 V155 R159 R160 I161	N153-L157 WeakPolarHBondContact O-CB 3.48Å; N153-L157 PolarHBondContact O-N 3.47Å; C154-L157 PolarHBondContact O-N 2.94Å; V155-L157 VanDerWaalsContact C-N 3.3Å; V155-L157 PolarHBondContact O-N 2.85Å; L157-R159 VanDerWaalsContact C-N 3.33Å; L157-R159 PolarHBondContact O-N 3.35Å; L157-R160 CarbonylContact O-C 3.56Å; L157-R160 PolarHBondContact O-N 3.04Å; L157-I161 HydrophobicContact CD2-CD1 4.38Å; L157-I161 HydrophobicContact CG-CD1 4.02Å; L157-I161 WeakPolarHBondContact O-CB 3.2Å; L157-I161 WeakPolarHBondContact O-CG1 3.28Å; L157-I161 PolarHBondContact O-N 3.11Å
158	K	52.4	Low	55.9	Low	93 Å²	93	95.1 Å²	95.1	40%	0.404	48%	0.48	S	S	.	.	H	α-helix	trans	-60.3	-42.9	175.5	-79.4	178.4	179.7	-179.4	0	111.1	C154 V155 I161 L162	C154-K158 VanDerWaalsContact O-CB 3.29Å; C154-K158 WeakPolarHBondContact O-CB 3.49Å; C154-K158 VanDerWaalsContact O-CG 3.25Å; C154-K158 WeakPolarHBondContact O-CG 3.15Å; C154-K158 PolarHBondContact O-N 3.07Å; V155-K158 PolarHBondContact O-N 3.12Å; K158-I161 PolarHBondContact O-N 3.28Å; K158-L162 WeakPolarHBondContact O-CG 3.5Å; K158-L162 PolarHBondContact O-N 2.92Å
159	R	56.6	Low	57.2	Low	145 Å²	145	91.7 Å²	91.7	55%	0.547	46%	0.46	S	S	.	.	H	α-helix	trans	-60	-46.4	173.1	-171.6	-175.9	-63.3	174.3	-1.7	111.2	V155 L157 I161 L162 E163	V155-R159 WeakPolarHBondContact O-CB 3.32Å; V155-R159 PolarHBondContact O-N 2.75Å; L157-R159 VanDerWaalsContact C-N 3.33Å; L157-R159 PolarHBondContact O-N 3.35Å; R159-I161 VanDerWaalsContact C-N 3.34Å; R159-I161 PolarHBondContact O-N 3.38Å; R159-L162 PolarHBondContact O-N 2.92Å; R159-E163 WeakPolarHBondContact O-CG 3.43Å; R159-E163 PolarHBondContact O-N 3.42Å
160	R	65.5	Low	58.7	Low	110 Å²	110	93.8 Å²	93.8	42%	0.415	46%	0.462	S	S	.	.	H	α-helix	trans	-67.1	-32.8	178.4	-170.7	57.6	-179	154.7	8.5	113.1	K156 L157 E163 L164 E167	K156-R160 WeakPolarHBondContact O-CB 3.33Å; K156-R160 PolarHBondContact O-N 2.86Å; L157-R160 CarbonylContact O-C 3.56Å; L157-R160 PolarHBondContact O-N 3.04Å; R160-E163 WeakPolarHBondContact CD-OE2 3.29Å; R160-E163 IonicContact CZ-OE2 3.4Å; R160-E163 IonicContact NE-OE2 2.87Å; R160-E163 IonicContact NH1-OE2 3.49Å; R160-E163 PolarHBondContact NH1-OE2 3.3Å; R160-L164 HydrophobicContact CG-CD1 4.12Å; R160-L164 HydrophobicContact CG-CG 4.49Å; R160-L164 WeakPolarHBondContact O-CB 3.24Å; R160-L164 WeakPolarHBondContact O-CD1 3.32Å; R160-L164 WeakPolarHBondContact O-CG 3.39Å; R160-L164 PolarHBondContact O-N 3.15Å; R160-E167 IonicContact NH1-OE1 2.81Å
161	I	69.9	Low	59.3	Low	76 Å²	76	92.8 Å²	92.8	39%	0.39	46%	0.462	S	S	.	.	H	α-helix	trans	-64.2	-47.1	173.6	-72.1	163.6	0	0	0	109.8	L157 K158 R159 E163 L164 E165	L157-I161 HydrophobicContact CD2-CD1 4.38Å; L157-I161 HydrophobicContact CG-CD1 4.02Å; L157-I161 WeakPolarHBondContact O-CB 3.2Å; L157-I161 WeakPolarHBondContact O-CG1 3.28Å; L157-I161 PolarHBondContact O-N 3.11Å; K158-I161 PolarHBondContact O-N 3.28Å; R159-I161 VanDerWaalsContact C-N 3.34Å; R159-I161 PolarHBondContact O-N 3.38Å; I161-E163 PolarHBondContact O-N 3Å; I161-L164 PolarHBondContact O-N 3.44Å; I161-E165 HydrophobicContact CG2-CG 4.38Å; I161-E165 WeakPolarHBondContact O-CB 3.3Å; I161-E165 WeakPolarHBondContact O-CG 3.23Å; I161-E165 PolarHBondContact O-N 3.11Å
162	L	65.5	Low	60	Low	113 Å²	113	99 Å²	99	59%	0.592	48%	0.478	S	S	*	.	H	α-helix	trans	-61.2	-44	177.1	-70.8	168.5	0	0	0	112.1	K158 R159 L164 E165 E166	K158-L162 WeakPolarHBondContact O-CG 3.5Å; K158-L162 PolarHBondContact O-N 2.92Å; R159-L162 PolarHBondContact O-N 2.92Å; L162-L164 VanDerWaalsContact C-N 3.35Å; L162-L164 PolarHBondContact O-N 3.24Å; L162-E165 PolarHBondContact O-N 3.03Å; L162-E166 PolarHBondContact O-N 3.48Å
163	E	73.2	Confident	61.1	Low	77 Å²	77	102.3 Å²	102.3	36%	0.36	48%	0.483	S	S	.	.	H	α-helix	trans	-59.1	-43.5	174.6	-72	167.4	-166.5	0	0	112.1	R159 R160 I161 E166 E167	R159-E163 WeakPolarHBondContact O-CG 3.43Å; R159-E163 PolarHBondContact O-N 3.42Å; R160-E163 WeakPolarHBondContact CD-OE2 3.29Å; R160-E163 IonicContact CZ-OE2 3.4Å; R160-E163 IonicContact NE-OE2 2.87Å; R160-E163 IonicContact NH1-OE2 3.49Å; R160-E163 PolarHBondContact NH1-OE2 3.3Å; I161-E163 PolarHBondContact O-N 3Å; E163-E166 PolarHBondContact O-N 3.46Å; E163-E167 WeakPolarHBondContact O-CG 3.36Å; E163-E167 PolarHBondContact O-N 3.36Å
164	L	63.9	Low	61.6	Low	74 Å²	74	102.8 Å²	102.8	39%	0.387	48%	0.482	S	S	.	.	H	α-helix	trans	-71.3	-32.9	179.2	-72.8	170.1	0	0	0	112.7	R160 I161 L162 E166 L168	R160-L164 HydrophobicContact CG-CD1 4.12Å; R160-L164 HydrophobicContact CG-CG 4.49Å; R160-L164 WeakPolarHBondContact O-CB 3.24Å; R160-L164 WeakPolarHBondContact O-CD1 3.32Å; R160-L164 WeakPolarHBondContact O-CG 3.39Å; R160-L164 PolarHBondContact O-N 3.15Å; I161-L164 PolarHBondContact O-N 3.44Å; L162-L164 VanDerWaalsContact C-N 3.35Å; L162-L164 PolarHBondContact O-N 3.24Å; L164-E166 VanDerWaalsContact C-N 3.35Å; L164-L168 WeakPolarHBondContact O-CB 3.37Å; L164-L168 WeakPolarHBondContact O-CG 3.28Å; L164-L168 PolarHBondContact O-N 3.41Å
165	E	71.8	Confident	61.6	Low	113 Å²	113	108.9 Å²	108.9	53%	0.528	51%	0.507	S	S	.	.	H	α-helix	trans	-66.7	-38.3	172.7	-76	176.5	168.5	0	0	111.3	I161 L162 L168 S169	I161-E165 HydrophobicContact CG2-CG 4.38Å; I161-E165 WeakPolarHBondContact O-CB 3.3Å; I161-E165 WeakPolarHBondContact O-CG 3.23Å; I161-E165 PolarHBondContact O-N 3.11Å; L162-E165 PolarHBondContact O-N 3.03Å; E165-L168 PolarHBondContact O-N 2.96Å; E165-S169 WeakPolarHBondContact O-CB 3.45Å; E165-S169 PolarHBondContact O-N 3.47Å
166	E	73.8	Confident	61.1	Low	137 Å²	137	108.9 Å²	108.9	64%	0.64	52%	0.519	S	S	*	.	H	α-helix	trans	-67.7	-45.5	174.9	-167	169.1	-160.5	0	0	111.6	L162 E163 L164 L168 S169 H170	L162-E166 PolarHBondContact O-N 3.48Å; E163-E166 PolarHBondContact O-N 3.46Å; L164-E166 VanDerWaalsContact C-N 3.35Å; E166-L168 PolarHBondContact O-N 2.88Å; E166-S169 WeakPolarHBondContact O-CB 3.39Å; E166-S169 PolarHBondContact O-N 3.47Å; E166-S169 VanDerWaalsContact O-N 3.14Å; E166-S169 PolarHBondContact O-OG 3Å; E166-H170 PolarHBondContact O-N 3.3Å
167	E	74.4	Confident	60.6	Low	98 Å²	98	110.5 Å²	110.5	46%	0.458	53%	0.533	S	S	.	.	H	α-helix	trans	-58.7	-43.2	172.2	-76.6	177.6	-166.9	0	0	111.9	R160 E163 S169 H170 L171	R160-E167 IonicContact NH1-OE1 2.81Å; E163-E167 WeakPolarHBondContact O-CG 3.36Å; E163-E167 PolarHBondContact O-N 3.36Å; E167-S169 VanDerWaalsContact C-N 3.33Å; E167-S169 PolarHBondContact O-N 2.95Å; E167-H170 WeakPolarHBondContact O-CB 3.47Å; E167-H170 PolarHBondContact O-N 2.9Å; E167-L171 WeakPolarHBondContact O-CB 3.48Å; E167-L171 WeakPolarHBondContact O-CG 3.49Å; E167-L171 PolarHBondContact O-N 3.18Å
168	L	61.8	Low	59.8	Low	92 Å²	92	110 Å²	110	48%	0.482	54%	0.539	S	S	.	.	H	α-helix	trans	-63.3	-37.8	174.6	-90.3	168.4	0	0	0	112.4	L164 E165 E166 H170 R172	L164-L168 WeakPolarHBondContact O-CB 3.37Å; L164-L168 WeakPolarHBondContact O-CG 3.28Å; L164-L168 PolarHBondContact O-N 3.41Å; E165-L168 PolarHBondContact O-N 2.96Å; E166-L168 PolarHBondContact O-N 2.88Å; L168-H170 VanDerWaalsContact C-N 3.31Å; L168-R172 WeakPolarHBondContact O-CB 3.44Å; L168-R172 VanDerWaalsContact O-CG 3.3Å; L168-R172 WeakPolarHBondContact O-CG 3.44Å; L168-R172 PolarHBondContact O-N 3.04Å
169	S	65.8	Low	58.8	Low	48 Å²	48	112.6 Å²	112.6	34%	0.336	56%	0.562	S	S	.	*	H	α-helix	trans	-66	-36.9	175.5	86.5	0	0	0	0	111.4	E165 E166 E167 K173	E165-S169 WeakPolarHBondContact O-CB 3.45Å; E165-S169 PolarHBondContact O-N 3.47Å; E166-S169 WeakPolarHBondContact O-CB 3.39Å; E166-S169 PolarHBondContact O-N 3.47Å; E166-S169 VanDerWaalsContact O-N 3.14Å; E166-S169 PolarHBondContact O-OG 3Å; E167-S169 VanDerWaalsContact C-N 3.33Å; E167-S169 PolarHBondContact O-N 2.95Å; S169-K173 VanDerWaalsContact O-CG 3.31Å; S169-K173 WeakPolarHBondContact O-CG 3.2Å; S169-K173 PolarHBondContact O-N 3.26Å
170	H	67.6	Low	57.5	Low	112 Å²	112	108.6 Å²	108.6	52%	0.519	57%	0.565	S	S	.	*	H	α-helix	trans	-70.6	-41.4	178.4	-152	-76.9	0	0	0	111.5	E166 E167 L168 K173 Q174	E166-H170 PolarHBondContact O-N 3.3Å; E167-H170 WeakPolarHBondContact O-CB 3.47Å; E167-H170 PolarHBondContact O-N 2.9Å; L168-H170 VanDerWaalsContact C-N 3.31Å; H170-K173 PolarHBondContact O-N 3.36Å; H170-Q174 PolarHBondContact ND1-NE2 3.24Å; H170-Q174 WeakPolarHBondContact O-CG 3.36Å; H170-Q174 PolarHBondContact O-N 3.02Å
171	L	61.1	Low	55.9	Low	95 Å²	95	109.3 Å²	109.3	50%	0.497	58%	0.584	S	S	.	*	H	α-helix	trans	-68.6	-37.7	175.7	-71.5	168.8	0	0	0	112.3	E167 K173 Q174 Q175	E167-L171 WeakPolarHBondContact O-CB 3.48Å; E167-L171 WeakPolarHBondContact O-CG 3.49Å; E167-L171 PolarHBondContact O-N 3.18Å; L171-K173 VanDerWaalsContact C-N 3.34Å; L171-Q174 PolarHBondContact O-N 2.8Å; L171-Q175 PolarHBondContact O-N 3.03Å
172	R	64.5	Low	53.8	Low	184 Å²	184	110.6 Å²	110.6	69%	0.694	60%	0.6	S	S	*	*	H	α-helix	trans	-65.2	-36	172.5	-77.5	178.9	-176.3	176.9	4	112.3	L168 Q175 G176	L168-R172 WeakPolarHBondContact O-CB 3.44Å; L168-R172 VanDerWaalsContact O-CG 3.3Å; L168-R172 WeakPolarHBondContact O-CG 3.44Å; L168-R172 PolarHBondContact O-N 3.04Å; R172-Q175 PolarHBondContact O-N 3.08Å; R172-G176 PolarHBondContact O-N 3.29Å
173	K	61.3	Low	52	Low	156 Å²	156	110.2 Å²	110.2	68%	0.678	61%	0.607	S	S	*	*	H	α-helix	trans	-67.8	-35.2	172.5	-75.9	172.9	-179.3	174.5	0	112.1	S169 H170 L171 G176	S169-K173 VanDerWaalsContact O-CG 3.31Å; S169-K173 WeakPolarHBondContact O-CG 3.2Å; S169-K173 PolarHBondContact O-N 3.26Å; H170-K173 PolarHBondContact O-N 3.36Å; L171-K173 VanDerWaalsContact C-N 3.34Å; K173-G176 PolarHBondContact O-N 3.46Å
174	Q	51	Low	49.6	Very low	122 Å²	122	111.8 Å²	111.8	57%	0.57	63%	0.626	S	S	*	*	H	α-helix	trans	-72.2	-33.2	175	-74.5	176.9	-4.3	0	0	113	H170 L171	H170-Q174 PolarHBondContact ND1-NE2 3.24Å; H170-Q174 WeakPolarHBondContact O-CG 3.36Å; H170-Q174 PolarHBondContact O-N 3.02Å; L171-Q174 PolarHBondContact O-N 2.8Å
175	Q	46.4	Very low	47.8	Very low	158 Å²	158	116.5 Å²	116.5	74%	0.738	65%	0.647	S	S	*	*	H	α-helix	trans	-79	-16.2	173.4	-87.8	177.9	-8.5	0	0	114.3	L171 R172 N177	L171-Q175 PolarHBondContact O-N 3.03Å; R172-Q175 PolarHBondContact O-N 3.08Å; Q175-N177 VanDerWaalsContact C-N 3.26Å; Q175-N177 PolarHBondContact O-N 3.42Å
176	G	40.6	Very low	45.6	Very low	55 Å²	55	118.8 Å²	118.8	57%	0.567	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-10.7	177.2	0	0	0	0	0	115.1	R172 K173	R172-G176 PolarHBondContact O-N 3.29Å; K173-G176 PolarHBondContact O-N 3.46Å
177	N	38.2	Very low	43.1	Very low	156 Å²	156	120.9 Å²	120.9	83%	0.834	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	36	-174.9	-83.7	-4.1	0	0	0	114	Q175	Q175-N177 VanDerWaalsContact C-N 3.26Å; Q175-N177 PolarHBondContact O-N 3.42Å
178	S	30.6	Very low	41.4	Very low	97 Å²	97	121 Å²	121	68%	0.678	68%	0.681	S	S	*	*			trans	-134.2	92.5	162.6	65.4	0	0	0	0	110.6	G180	S178-G180 PolarHBondContact O-N 3.24Å
179	V	31.7	Very low	39.5	Very low	147 Å²	147	124.1 Å²	124.1	89%	0.891	70%	0.698	S	S	*	*			trans	-63.2	119.6	162.1	174.7	0	0	0	0	107.6
180	G	29.2	Very low	37.4	Very low	60 Å²	60	129.1 Å²	129.1	62%	0.619	72%	0.72	S	S	*	*			trans	-72.5	176.5	173.7	0	0	0	0	0	113.1	S178	S178-G180 PolarHBondContact O-N 3.24Å
181	P	32.4	Very low	35.6	Very low	125 Å²	125	129.7 Å²	129.7	81%	0.812	73%	0.733	S	S	*	*				-137.1	136.9	108.2	31.9	-16.9	0	0	0	115.4
182	S	25.8	Very low	33.9	Very low	103 Å²	103	133.3 Å²	133.3	72%	0.72	75%	0.747	S	S	*	*			trans	32.2	120.7	140.4	62.6	0	0	0	0	123.3
183	S	25.9	Very low	32.4	Very low	105 Å²	105	130 Å²	130	73%	0.734	75%	0.75	S	S	*	*				54	116.8	129.7	64.6	0	0	0	0	121.8
184	S	24.4	Very low	30.6	Very low	110 Å²	110	131.6 Å²	131.6	77%	0.769	76%	0.76	S	S	*	*				153	130.2	109.2	-78.9	0	0	0	0	113.5
185	E	25.7	Very low	29.4	Very low	174 Å²	174	134.7 Å²	134.7	81%	0.813	77%	0.774	S	S	*	*			trans	31.3	141.9	143.3	-67.4	-175.2	158.5	0	0	124.2
186	L	24.6	Very low	28.3	Very low	161 Å²	161	131.6 Å²	131.6	84%	0.843	78%	0.776	S	S	*	*			trans	88.8	118.7	149.7	-68.5	148.5	0	0	0	120.6
187	Q	21.8	Very low	27.9	Very low	181 Å²	181	135 Å²	135	85%	0.846	79%	0.788	S	S	*	*			trans	-70.4	172.3	146.3	-89.6	-174.3	-26.4	0	0	110.3
188	P	39.6	Very low	27.3	Very low	101 Å²	101	134.8 Å²	134.8	66%	0.656	79%	0.785	S	S	*	*			cis	-137.3	-179.8	8.9	32.1	-9	0	0	0	115.5
189	D	20.8	Very low	27	Very low	156 Å²	156	139.8 Å²	139.8	83%	0.834	80%	0.798	S	S	*	*			trans	132.1	130	139.2	-76.4	-20.7	0	0	0	118.5
190	L	23.2	Very low	26.6	Very low	153 Å²	153	139.5 Å²	139.5	80%	0.801	79%	0.791	S	S	*	*			trans	-66.8	159.8	170.6	-82.1	154.9	0	0	0	111.8
191	P	28.9	Very low	26.3	Very low	124 Å²	124	142.7 Å²	142.7	81%	0.805	80%	0.804	S	S	*	*				-150	151.7	87.2	33.9	-12.7	0	0	0	117.5
192	H	24.3	Very low	26	Very low	171 Å²	171	146.1 Å²	146.1	79%	0.792	81%	0.809	S	S	*	*			trans	-69.1	157.5	155	-96.6	-42.6	0	0	0	111.1
193	P	33.3	Very low	25.8	Very low	114 Å²	114	144.8 Å²	144.8	74%	0.74	81%	0.812	S	S	*	*				-148.7	170.9	80.6	32.6	-8.3	0	0	0	112.9
194	E	24.1	Very low	25.7	Very low	191 Å²	191	149.3 Å²	149.3	89%	0.893	82%	0.824	S	S	*	*				-163.5	163.7	60.2	-85.3	-176.9	141.6	0	0	113.5
195	Q	25.9	Very low	25.8	Very low	187 Å²	187	152.4 Å²	152.4	87%	0.874	83%	0.826	S	S	*	*			trans	-97.9	145.5	-164.4	-76.9	171.2	-29	0	0	113.9
196	A	22.4	Very low	26	Very low	93 Å²	93	149.5 Å²	149.5	77%	0.769	82%	0.822	S	S	*	*				89.2	165.8	112	0	0	0	0	0	115.9
197	P	33.3	Very low	26	Very low	127 Å²	127	149.4 Å²	149.4	83%	0.825	82%	0.822	S	S	*	*			cis	-139.1	178.5	14.2	39.4	-17.9	0	0	0	118.9
198	I	26.1	Very low	26.2	Very low	151 Å²	151	146.9 Å²	146.9	77%	0.774	82%	0.819	S	S	*	*			trans	-88.2	153.5	178.2	-65.8	159.4	0	0	0	110.7
199	E	23.8	Very low	25.7	Very low	201 Å²	201	147.7 Å²	147.7	94%	0.939	82%	0.824	S	S	*	*			trans	-127.6	143.9	150.3	-87.5	-170.1	165.7	0	0	111.1
200	D	23.2	Very low	25.8	Very low	142 Å²	142	146.1 Å²	146.1	76%	0.759	82%	0.82	S	S	*	*			trans	-116.6	147.1	-167.8	-140.4	-4.3	0	0	0	109.1
201	S	23.3	Very low	25.9	Very low	127 Å²	127	146.2 Å²	146.2	89%	0.888	82%	0.816	S	S	*	*			trans	-162.9	128.4	152.1	-13.7	0	0	0	0	113.5
202	Q	24.6	Very low	25.6	Very low	197 Å²	197	148.2 Å²	148.2	92%	0.921	82%	0.819	S	S	*	*			trans	-83.3	160.8	176.8	-65.6	171.6	-27.9	0	0	113.6
203	G	22.2	Very low	25.8	Very low	75 Å²	75	145.3 Å²	145.3	77%	0.773	81%	0.808	S	S	*	*			trans	146.5	117.7	135.9	0	0	0	0	0	120.1
204	M	24.6	Very low	25.5	Very low	199 Å²	199	147.9 Å²	147.9	98%	0.98	82%	0.815	S	S	*	*			trans	89.8	119.4	144.8	-83	170.7	154.7	0	0	122.8
205	E	26.2	Very low	25.7	Very low	176 Å²	176	145.3 Å²	145.3	82%	0.822	81%	0.807	S	S	*	*			trans	-68.6	168.4	156.8	-58.5	-176.9	133.5	0	0	112.3
206	P	28.9	Very low	25.9	Very low	112 Å²	112	145.7 Å²	145.7	73%	0.727	81%	0.809	S	S	*	*				-150.6	146.8	93.9	34.9	-15.1	0	0	0	117.7
207	L	25.2	Very low	26.2	Very low	160 Å²	160	148.2 Å²	148.2	84%	0.838	81%	0.809	S	S	*	*			trans	60.4	124.2	131.1	-61.5	164.9	0	0	0	123
208	T	27	Very low	26.1	Very low	127 Å²	127	150.5 Å²	150.5	78%	0.779	81%	0.809	S	S	*	*			trans	-61.6	165.7	160.4	4.9	0	0	0	0	114.3
209	P	28.2	Very low	26.2	Very low	118 Å²	118	152.6 Å²	152.6	77%	0.766	82%	0.815	S	S	*	*				-142	130.4	106.3	30.9	-13	0	0	0	116.5
210	T	23.9	Very low	26.6	Very low	124 Å²	124	151.4 Å²	151.4	76%	0.761	81%	0.81	S	S	*	*				51.8	116.8	127.3	-26.3	0	0	0	0	123.9
211	Q	25.5	Very low	27.1	Very low	154 Å²	154	151.6 Å²	151.6	72%	0.72	82%	0.816	S	S	*	*			trans	-12	147.9	151.6	-62.5	176	-30.6	0	0	121.6
212	I	22.5	Very low	27.3	Very low	167 Å²	167	152.8 Å²	152.8	86%	0.856	81%	0.812	S	S	*	*				-137.7	123.7	129.8	-61.5	-177	0	0	0	109.1
213	I	27.4	Very low	27.5	Very low	109 Å²	109	148.8 Å²	148.8	56%	0.559	81%	0.806	S	S	*	*			trans	-91.6	138.2	169.1	-66.4	163.4	0	0	0	107.7
214	L	28	Very low	27.9	Very low	169 Å²	169	149.8 Å²	149.8	89%	0.885	81%	0.807	S	S	*	*			trans	-149.1	120.9	146.7	-79.2	-177.2	0	0	0	109.3
215	D	28.4	Very low	28.1	Very low	136 Å²	136	147.3 Å²	147.3	73%	0.727	80%	0.798	S	S	*	*			trans	-64.7	155.6	164.6	-61.5	-56.6	0	0	0	111.4
216	E	28.8	Very low	28.3	Very low	195 Å²	195	148 Å²	148	91%	0.911	80%	0.801	S	S	*	*				175.2	148.5	122.2	-94.7	179.1	177.3	0	0	112.3
217	D	28.9	Very low	28.4	Very low	147 Å²	147	147.3 Å²	147.3	79%	0.786	80%	0.799	S	S	*	*			trans	-77.4	164.7	-162.5	-70	-57.7	0	0	0	117.5
218	E	31.7	Very low	28.6	Very low	174 Å²	174	146.3 Å²	146.3	81%	0.813	80%	0.799	S	S	*	*			trans	22.2	132	144	-60.3	-172.5	160.3	0	0	122
219	Q	28.9	Very low	28.7	Very low	195 Å²	195	145.3 Å²	145.3	91%	0.911	80%	0.798	S	S	*	*				-172.5	136.6	112.9	-106.5	166.9	13.2	0	0	114
220	E	31	Very low	28.7	Very low	176 Å²	176	144.5 Å²	144.5	82%	0.822	80%	0.801	S	S	*	*			trans	-63.2	153	164.3	-60.5	179.1	146	0	0	112
221	V	34.1	Very low	28.9	Very low	147 Å²	147	146.4 Å²	146.4	89%	0.891	81%	0.806	S	S	*	*				176.5	146.4	119.6	-87.6	0	0	0	0	113.1
222	D	27.2	Very low	29.4	Very low	151 Å²	151	147 Å²	147	81%	0.807	81%	0.813	S	S	*	*			trans	-49.9	155.5	179.8	-77.2	-47.5	0	0	0	118.7
223	S	30	Very low	29.8	Very low	113 Å²	113	145.3 Å²	145.3	79%	0.79	81%	0.811	S	S	*	*				161.2	125.4	105.8	-70.6	0	0	0	0	114.3
224	A	29.9	Very low	30.1	Very low	96 Å²	96	147.7 Å²	147.7	79%	0.793	82%	0.823	S	S	*	*			trans	47.2	124.8	133.2	0	0	0	0	0	123.1
225	D	27.7	Very low	30.2	Very low	148 Å²	148	144.7 Å²	144.7	79%	0.791	82%	0.816	S	S	*	*			trans	46.3	122.9	131.7	-103.7	-21.9	0	0	0	121.2
226	E	32.2	Very low	30.8	Very low	190 Å²	190	143.5 Å²	143.5	89%	0.888	82%	0.815	S	S	*	*				-166	133.4	109	-105.5	-174	-169.7	0	0	110.8
227	S	31.1	Very low	30.9	Very low	97 Å²	97	142.9 Å²	142.9	68%	0.678	81%	0.813	S	S	*	*			trans	-102.9	127.3	174	44.3	0	0	0	0	108.4
228	V	28.3	Very low	30.9	Very low	139 Å²	139	142.7 Å²	142.7	84%	0.842	81%	0.812	S	S	*	*			trans	-147.9	130.6	148.7	-171.6	0	0	0	0	111.1
229	S	28.8	Very low	30.8	Very low	107 Å²	107	139.2 Å²	139.2	75%	0.748	81%	0.807	S	S	*	*			trans	-46.1	147.7	177.8	-44.5	0	0	0	0	117.2
230	A	28.1	Very low	30.9	Very low	101 Å²	101	135.1 Å²	135.1	84%	0.835	80%	0.8	S	S	*	*			trans	-97.3	119.9	161.2	0	0	0	0	0	108.8
231	D	28.1	Very low	30.8	Very low	164 Å²	164	136.3 Å²	136.3	88%	0.877	80%	0.802	S	S	*	*			trans	-114.8	138.2	165.9	-96.2	-31.4	0	0	0	111.2
232	L	37.1	Very low	31.3	Very low	165 Å²	165	134.3 Å²	134.3	86%	0.864	79%	0.792	S	S	*	*			trans	-84.1	131.2	-179.8	-72.1	151.9	0	0	0	110.8
233	V	31.1	Very low	31.4	Very low	132 Å²	132	137.7 Å²	137.7	80%	0.8	80%	0.795	S	S	*	*			trans	-153.6	109.9	147.8	-174.3	0	0	0	0	112.2
234	I	33.2	Very low	31.3	Very low	160 Å²	160	137.5 Å²	137.5	82%	0.821	79%	0.794	S	S	*	*				35.1	126.8	128.7	-52.2	169.4	0	0	0	120.9
235	S	29.3	Very low	31.7	Very low	105 Å²	105	137.1 Å²	137.1	73%	0.734	80%	0.799	S	S	*	*			trans	-65.4	163	163.2	-61.3	0	0	0	0	113.7
236	P	42.1	Very low	31.8	Very low	111 Å²	111	135 Å²	135	72%	0.721	80%	0.796	S	S	*	*				-154.6	172.1	56.8	37.9	-13.8	0	0	0	119.2
237	E	29.8	Very low	31.9	Very low	182 Å²	182	131 Å²	131	85%	0.85	79%	0.789	S	S	*	*			trans	60.2	143.9	153	-78.3	179.5	-168.6	0	0	119.8
238	D	28.5	Very low	32.4	Very low	144 Å²	144	137.3 Å²	137.3	77%	0.77	80%	0.798	S	S	*	*			cis	-166.6	177.7	-1.4	-151.9	-11	0	0	0	108.7
239	S	30.2	Very low	33.1	Very low	101 Å²	101	141.5 Å²	141.5	71%	0.706	80%	0.799	S	S	*	*			trans	112.2	84.8	160.7	76.5	0	0	0	0	120.2
240	S	30.5	Very low	34.1	Very low	109 Å²	109	143.4 Å²	143.4	76%	0.762	80%	0.799	S	S	*	*				35	115.9	128.6	64.9	0	0	0	0	121.6
241	K	30.6	Very low	35.8	Very low	200 Å²	200	145.7 Å²	145.7	87%	0.87	79%	0.786	S	S	*	*				-167.5	143.8	118.1	-103.9	170.5	-172.8	176.7	0	111.2
242	P	43.8	Very low	37.8	Very low	106 Å²	106	148.1 Å²	148.1	69%	0.688	78%	0.783	S	S	*	*			trans	-85.4	150.7	-175	35.5	-31.7	0	0	0	110.3
243	Y	28.2	Very low	39.9	Very low	222 Å²	222	141.2 Å²	141.2	87%	0.871	75%	0.746	S	S	*	*			trans	176.7	136.6	137.3	-104.2	-77.3	0	0	0	112.6
244	S	28.5	Very low	42.3	Very low	109 Å²	109	140 Å²	140	76%	0.762	73%	0.73	S	S	*	*			trans	80.3	115.2	158.1	83.3	0	0	0	0	118.5	S246	S244-S246 PolarHBondContact O-N 2.97Å; S244-S246 VanDerWaalsContact O-N 3.08Å
245	G	38.6	Very low	44.5	Very low	87 Å²	87	139.5 Å²	139.5	90%	0.897	72%	0.724	S	S	*	*			trans	-60.5	106.8	168.4	0	0	0	0	0	111.1	S247	G245-S247 PolarHBondContact O-N 3.33Å
246	S	30.3	Very low	47	Very low	104 Å²	104	139.9 Å²	139.9	73%	0.727	71%	0.714	S	S	*	*			trans	-84.8	102.2	156.5	167.1	0	0	0	0	107.2	S244 R248	S244-S246 PolarHBondContact O-N 2.97Å; S244-S246 VanDerWaalsContact O-N 3.08Å; S246-R248 PolarHBondContact O-N 3.43Å
247	S	33.1	Very low	49	Very low	106 Å²	106	135.6 Å²	135.6	74%	0.741	68%	0.684	S	S	*	*			trans	-48.7	105.3	164	-179.6	0	0	0	0	108.1	G245 R249	G245-S247 PolarHBondContact O-N 3.33Å; S247-R249 VanDerWaalsContact C-N 3.3Å; S247-R249 PolarHBondContact O-N 2.91Å
248	R	41.5	Very low	51.5	Low	230 Å²	230	129.5 Å²	129.5	87%	0.868	66%	0.657	S	S	*	*			trans	-61.5	98.9	172.8	-73.1	-176.4	-171.1	176.7	3.5	106	S246 I250	S246-R248 PolarHBondContact O-N 3.43Å; R248-I250 PolarHBondContact O-N 3.49Å
249	R	44.1	Very low	53.7	Low	227 Å²	227	132.2 Å²	132.2	86%	0.857	66%	0.661	S	S	*	*			trans	-54.2	104.5	169.7	-74.3	-174.6	-157.5	174.5	6.7	107.2	S247 R251	S247-R249 VanDerWaalsContact C-N 3.3Å; S247-R249 PolarHBondContact O-N 2.91Å; R249-R251 VanDerWaalsContact C-N 3.33Å; R249-R251 PolarHBondContact O-N 3.14Å
250	I	50.4	Low	56.1	Low	147 Å²	147	134.2 Å²	134.2	75%	0.754	66%	0.657	S	S	*	*			trans	-63.1	101.8	168.4	-61.3	170	0	0	0	105.1	R248 R252	R248-I250 PolarHBondContact O-N 3.49Å; I250-R252 PolarHBondContact O-N 2.82Å
251	R	62.2	Low	58.6	Low	149 Å²	149	129.9 Å²	129.9	56%	0.562	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-66.1	124.9	176.6	-65.7	-177.2	-173.8	-161.5	-0.6	106.5	R249 F298	R249-R251 VanDerWaalsContact C-N 3.33Å; R249-R251 PolarHBondContact O-N 3.14Å; R251-F298 VanDerWaalsContact O-CD2 3.32Å; R251-F298 WeakPolarHBondContact O-CD2 3.29Å
252	R	70.6	Confident	61	Low	214 Å²	214	126 Å²	126	81%	0.808	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-88.1	143.3	174.6	-65.3	-177	179.4	-179.7	-0.9	109.1	I250 K254	I250-R252 PolarHBondContact O-N 2.82Å; R252-K254 PolarHBondContact O-N 3.06Å
253	F	81.1	Confident	62.8	Low	20 Å²	20	121.5 Å²	121.5	9%	0.088	58%	0.575	C	S	.	*	P	Polyproline II helix	trans	-59.7	135.8	172.9	-179.2	-99.3	0	0	0	109.8	W257 L258 L264 Y266 M273 F298	F253-W257 AromaticContact CD2-CE3 3.99Å; F253-W257 HydrophobicContact CD2-CE3 3.99Å; F253-W257 HydrophobicContact CD2-CZ3 4.26Å; F253-W257 AromaticContact CE2-CE3 3.84Å; F253-W257 HydrophobicContact CE2-CE3 3.84Å; F253-W257 HydrophobicContact CZ-CB 4.39Å; F253-L258 HydrophobicContact CE1-CD1 4.05Å; F253-L258 HydrophobicContact CE1-CD2 4.14Å; F253-L258 HydrophobicContact CE1-CG 3.83Å; F253-L258 HydrophobicContact CZ-CD2 3.76Å; F253-L258 HydrophobicContact CZ-CG 3.85Å; F253-L264 HydrophobicContact CE2-CD2 3.97Å; F253-L264 HydrophobicContact CZ-CD2 4.08Å; F253-Y266 HydrophobicContact CB-CD2 3.84Å; F253-Y266 HydrophobicContact CB-CE1 4.32Å; F253-Y266 HydrophobicContact CB-CE2 3.5Å; F253-Y266 VanDerWaalsContact CB-CE2 3.5Å; F253-Y266 HydrophobicContact CB-CG 4.38Å; F253-Y266 AromaticContact CD1-CD1 3.62Å; F253-Y266 HydrophobicContact CD1-CD1 3.62Å; F253-Y266 AromaticContact CD1-CD2 3.75Å; F253-Y266 HydrophobicContact CD1-CD2 3.75Å; F253-Y266 HydrophobicContact CD1-CE1 4.03Å; F253-Y266 HydrophobicContact CD1-CE2 4.15Å; F253-Y266 AromaticContact CD1-CG 3.45Å; F253-Y266 HydrophobicContact CD1-CG 3.45Å; F253-Y266 VanDerWaalsContact CD1-CG 3.45Å; F253-Y266 AromaticContact CD2-CD2 3.81Å; F253-Y266 HydrophobicContact CD2-CD2 3.81Å; F253-Y266 HydrophobicContact CD2-CE2 4.32Å; F253-Y266 HydrophobicContact CD2-CG 4.22Å; F253-Y266 HydrophobicContact CE1-CD1 4.02Å; F253-Y266 HydrophobicContact CE1-CD2 4.24Å; F253-Y266 AromaticContact CE1-CG 3.67Å; F253-Y266 HydrophobicContact CE1-CG 3.67Å; F253-Y266 HydrophobicContact CE2-CD2 4.29Å; F253-Y266 HydrophobicContact CE2-CG 4.39Å; F253-Y266 HydrophobicContact CG-CD1 4.21Å; F253-Y266 AromaticContact CG-CD2 3.51Å; F253-Y266 HydrophobicContact CG-CD2 3.51Å; F253-Y266 HydrophobicContact CG-CE1 4.4Å; F253-Y266 AromaticContact CG-CE2 3.74Å; F253-Y266 HydrophobicContact CG-CE2 3.74Å; F253-Y266 AromaticContact CG-CG 3.76Å; F253-Y266 HydrophobicContact CG-CG 3.76Å; F253-Y266 HydrophobicContact CZ-CD2 4.5Å; F253-Y266 HydrophobicContact CZ-CG 4.14Å; F253-M273 HydrophobicContact CD2-CB 4.27Å; F253-M273 HydrophobicContact CD2-SD 4.18Å; F253-M273 HydrophobicContact CE2-CB 3.96Å; F253-M273 HydrophobicContact CE2-SD 3.92Å; F253-F298 HydrophobicContact CB-CD1 3.94Å; F253-F298 HydrophobicContact CB-CD2 4.26Å; F253-F298 HydrophobicContact CB-CE1 3.93Å; F253-F298 HydrophobicContact CB-CE2 4.26Å; F253-F298 HydrophobicContact CB-CG 4.09Å; F253-F298 HydrophobicContact CB-CZ 4.08Å; F253-F298 AromaticContact CD2-CD1 3.56Å; F253-F298 HydrophobicContact CD2-CD1 3.56Å; F253-F298 AromaticContact CD2-CE1 3.79Å; F253-F298 HydrophobicContact CD2-CE1 3.79Å; F253-F298 HydrophobicContact CD2-CG 4.33Å; F253-F298 HydrophobicContact CG-CD1 4.23Å; F253-F298 HydrophobicContact CG-CE1 4.27Å
254	K	81.8	Confident	65.6	Low	108 Å²	108	111 Å²	111	47%	0.47	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-97.7	118.6	178.6	-68.1	-158.3	178.6	-173.5	0	110.3	R252 E256 W257	R252-K254 PolarHBondContact O-N 3.06Å; K254-E256 HydrophobicContact CB-CG 3.82Å; K254-E256 HydrophobicContact CD-CG 4.2Å; K254-E256 WeakPolarHBondContact CD-OE1 3.24Å; K254-E256 IonicContact NZ-OE1 3.06Å; K254-E256 PolarHBondContact NZ-OE1 3.33Å; K254-E256 PolarHBondContact O-N 3.34Å; K254-W257 HydrophobicContact CB-CD2 3.9Å; K254-W257 HydrophobicContact CB-CE3 4.37Å; K254-W257 HydrophobicContact CB-CG 4.21Å; K254-W257 HydrophobicContact CB-CZ2 4.1Å; K254-W257 HydrophobicContact CD-CZ2 4.06Å; K254-W257 HydrophobicContact CG-CH2 4.46Å; K254-W257 HydrophobicContact CG-CZ2 4.01Å; K254-W257 WeakPolarHBondContact O-CB 3.32Å; K254-W257 PolarHBondContact O-N 3.34Å
255	Q	79.1	Confident	68.3	Low	148 Å²	148	111 Å²	111	69%	0.692	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.6	-177.1	-142.5	123.6	-9.1	0	0	113.2	W257 L258	Q255-W257 PolarHBondContact O-N 2.89Å; Q255-W257 VanDerWaalsContact O-N 3.13Å; Q255-L258 HydrophobicContact CG-CD1 4.39Å; Q255-L258 WeakPolarHBondContact O-CB 3.47Å; Q255-L258 PolarHBondContact O-N 3.23Å; Q255-L258 VanDerWaalsContact O-N 3.1Å
256	E	81.8	Confident	70.7	Confident	114 Å²	114	109.9 Å²	109.9	53%	0.533	49%	0.486	S	S	.	.	H	α-helix	trans	-55.8	-25.8	174.4	51.3	176	-164.5	0	0	113.5	K254 L258 K259 K260	K254-E256 HydrophobicContact CB-CG 3.82Å; K254-E256 HydrophobicContact CD-CG 4.2Å; K254-E256 WeakPolarHBondContact CD-OE1 3.24Å; K254-E256 IonicContact NZ-OE1 3.06Å; K254-E256 PolarHBondContact NZ-OE1 3.33Å; K254-E256 PolarHBondContact O-N 3.34Å; E256-L258 VanDerWaalsContact C-N 3.31Å; E256-L258 PolarHBondContact O-N 3.25Å; E256-K259 PolarHBondContact O-N 2.98Å; E256-K260 PolarHBondContact O-N 3.44Å
257	W	85.2	Confident	73.1	Confident	21 Å²	21	105.9 Å²	105.9	8%	0.08	46%	0.458	C	S	.	.	H	α-helix	trans	-69.7	-26.4	178.5	-62.9	-12.6	0	0	0	113.3	F253 K254 Q255 K259 K260 F261 L264 F298 I300 I303	F253-W257 AromaticContact CD2-CE3 3.99Å; F253-W257 HydrophobicContact CD2-CE3 3.99Å; F253-W257 HydrophobicContact CD2-CZ3 4.26Å; F253-W257 AromaticContact CE2-CE3 3.84Å; F253-W257 HydrophobicContact CE2-CE3 3.84Å; F253-W257 HydrophobicContact CZ-CB 4.39Å; K254-W257 HydrophobicContact CB-CD2 3.9Å; K254-W257 HydrophobicContact CB-CE3 4.37Å; K254-W257 HydrophobicContact CB-CG 4.21Å; K254-W257 HydrophobicContact CB-CZ2 4.1Å; K254-W257 HydrophobicContact CD-CZ2 4.06Å; K254-W257 HydrophobicContact CG-CH2 4.46Å; K254-W257 HydrophobicContact CG-CZ2 4.01Å; K254-W257 WeakPolarHBondContact O-CB 3.32Å; K254-W257 PolarHBondContact O-N 3.34Å; Q255-W257 PolarHBondContact O-N 2.89Å; Q255-W257 VanDerWaalsContact O-N 3.13Å; W257-K259 VanDerWaalsContact C-N 3.27Å; W257-K259 PolarHBondContact O-N 3.3Å; W257-K260 PolarHBondContact O-N 2.98Å; W257-F261 HydrophobicContact CB-CD2 4.26Å; W257-F261 WeakPolarHBondContact O-CB 3.44Å; W257-F261 WeakPolarHBondContact O-CD2 3.48Å; W257-F261 PolarHBondContact O-N 3.35Å; W257-L264 HydrophobicContact CB-CD2 4.23Å; W257-F298 HydrophobicContact CH2-CB 4.21Å; W257-F298 HydrophobicContact CZ3-CB 3.87Å; W257-I300 HydrophobicContact CZ2-CB 4.02Å; W257-I303 HydrophobicContact CD2-CD1 3.98Å; W257-I303 HydrophobicContact CE3-CD1 3.48Å; W257-I303 VanDerWaalsContact CE3-CD1 3.48Å; W257-I303 HydrophobicContact CG-CD1 4.46Å; W257-I303 HydrophobicContact CZ3-CD1 3.97Å
258	L	80.8	Confident	75.3	Confident	54 Å²	54	105.5 Å²	105.5	28%	0.283	46%	0.455	S	S	.	.	H	α-helix	trans	-67.3	-31.1	175.5	-62.5	174.4	0	0	0	111.7	F253 Q255 E256 L264	F253-L258 HydrophobicContact CE1-CD1 4.05Å; F253-L258 HydrophobicContact CE1-CD2 4.14Å; F253-L258 HydrophobicContact CE1-CG 3.83Å; F253-L258 HydrophobicContact CZ-CD2 3.76Å; F253-L258 HydrophobicContact CZ-CG 3.85Å; Q255-L258 HydrophobicContact CG-CD1 4.39Å; Q255-L258 WeakPolarHBondContact O-CB 3.47Å; Q255-L258 PolarHBondContact O-N 3.23Å; Q255-L258 VanDerWaalsContact O-N 3.1Å; E256-L258 VanDerWaalsContact C-N 3.31Å; E256-L258 PolarHBondContact O-N 3.25Å; L258-L264 HydrophobicContact CD2-CB 4.41Å; L258-L264 HydrophobicContact CD2-CG 4.42Å; L258-L264 WeakPolarHBondContact CD2-O 3.32Å
259	K	76.6	Confident	77.1	Confident	200 Å²	200	100.4 Å²	100.4	87%	0.87	45%	0.45	S	S	*	.	H	α-helix	trans	-75.5	-35.1	174	-65.2	-172.1	177.8	-174.5	0	111.9	E256 W257	E256-K259 PolarHBondContact O-N 2.98Å; W257-K259 VanDerWaalsContact C-N 3.27Å; W257-K259 PolarHBondContact O-N 3.3Å
260	K	79.2	Confident	78.8	Confident	144 Å²	144	94.9 Å²	94.9	63%	0.626	44%	0.436	S	S	*	.	H	α-helix	trans	-82.2	-27.4	-177.7	-166.4	165.8	-173.5	162	0	113.8	E256 W257	E256-K260 PolarHBondContact O-N 3.44Å; W257-K260 PolarHBondContact O-N 2.98Å
261	F	83.3	Confident	80.4	Confident	18 Å²	18	91.1 Å²	91.1	8%	0.079	42%	0.418	C	S	.	.			trans	-128	89.6	-179.3	-58.5	-78.1	0	0	0	109.2	W257 F263 L264 I300 I303 K304	W257-F261 HydrophobicContact CB-CD2 4.26Å; W257-F261 WeakPolarHBondContact O-CB 3.44Å; W257-F261 WeakPolarHBondContact O-CD2 3.48Å; W257-F261 PolarHBondContact O-N 3.35Å; F261-F263 HydrophobicContact CB-CE1 4.13Å; F261-F263 HydrophobicContact CB-CE2 4.24Å; F261-F263 HydrophobicContact CB-CZ 3.88Å; F261-F263 HydrophobicContact CD1-CE1 4.02Å; F261-F263 AromaticContact CD1-CZ 3.72Å; F261-F263 HydrophobicContact CD1-CZ 3.72Å; F261-F263 HydrophobicContact CG-CZ 4.17Å; F261-F263 PolarHBondContact O-N 2.95Å; F261-F263 VanDerWaalsContact O-N 3.13Å; F261-L264 HydrophobicContact CB-CB 4.03Å; F261-L264 VanDerWaalsContact O-CB 3.25Å; F261-L264 WeakPolarHBondContact O-CB 3.36Å; F261-L264 PolarHBondContact O-N 3.47Å; F261-I300 HydrophobicContact CE2-CD1 4.41Å; F261-I300 HydrophobicContact CE2-CG1 4.1Å; F261-I300 HydrophobicContact CZ-CG1 4.26Å; F261-I303 HydrophobicContact CB-CG2 4.19Å; F261-I303 HydrophobicContact CD1-CG2 3.77Å; F261-I303 HydrophobicContact CD2-CG2 3.69Å; F261-I303 HydrophobicContact CE1-CG2 3.99Å; F261-I303 HydrophobicContact CE2-CB 4.42Å; F261-I303 HydrophobicContact CE2-CG2 3.91Å; F261-I303 HydrophobicContact CG-CG2 3.61Å; F261-I303 HydrophobicContact CZ-CG2 4.05Å; F261-K304 HydrophobicContact CE1-CG 4.24Å; F261-K304 HydrophobicContact CZ-CG 3.96Å
262	W	80.9	Confident	81.6	Confident	118 Å²	118	86 Å²	86	45%	0.447	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-29.3	-173.3	69.2	-96.9	0	0	0	113.7	L264 R265 H276 V277 L316 Y319	W262-L264 PolarHBondContact O-N 3.05Å; W262-R265 PolarHBondContact O-NH1 2.86Å; W262-H276 AromaticContact CE3-NE2 3.78Å; W262-H276 AromaticContact CZ3-CE1 3.72Å; W262-H276 AromaticContact CZ3-NE2 3.62Å; W262-V277 HydrophobicContact CH2-CG2 3.56Å; W262-V277 HydrophobicContact CZ3-CG2 3.73Å; W262-L316 HydrophobicContact CH2-CD1 3.77Å; W262-L316 HydrophobicContact CZ2-CD1 3.49Å; W262-L316 VanDerWaalsContact CZ2-CD1 3.49Å; W262-Y319 AromaticContact CH2-CD1 3.71Å; W262-Y319 HydrophobicContact CH2-CD1 3.71Å; W262-Y319 AromaticContact CH2-CE1 3.37Å; W262-Y319 HydrophobicContact CH2-CE1 3.37Å; W262-Y319 HydrophobicContact CH2-CG 4.5Å; W262-Y319 AromaticContact CH2-CZ 3.92Å; W262-Y319 HydrophobicContact CZ2-CE1 4.5Å; W262-Y319 HydrophobicContact CZ3-CD1 4.32Å; W262-Y319 AromaticContact CZ3-CE1 3.58Å; W262-Y319 HydrophobicContact CZ3-CE1 3.58Å; W262-Y319 HydrophobicContact CZ3-CE2 4.44Å; W262-Y319 AromaticContact CZ3-CZ 3.66Å
263	F	82.1	Confident	82.4	Confident	12 Å²	12	75.9 Å²	75.9	5%	0.053	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-10.6	179.5	58.8	-103.2	0	0	0	113.4	F261 C275 H276 V277 I303 H306 H312	F261-F263 HydrophobicContact CB-CE1 4.13Å; F261-F263 HydrophobicContact CB-CE2 4.24Å; F261-F263 HydrophobicContact CB-CZ 3.88Å; F261-F263 HydrophobicContact CD1-CE1 4.02Å; F261-F263 AromaticContact CD1-CZ 3.72Å; F261-F263 HydrophobicContact CD1-CZ 3.72Å; F261-F263 HydrophobicContact CG-CZ 4.17Å; F261-F263 PolarHBondContact O-N 2.95Å; F261-F263 VanDerWaalsContact O-N 3.13Å; F263-C275 HydrophobicContact CD2-CB 4.25Å; F263-C275 CarbonylContact O-C 3.05Å; F263-C275 WeakPolarHBondContact O-CA 3.48Å; F263-H276 PolarHBondContact O-CD2 3.3Å; F263-H276 PolarHBondContact O-N 3.06Å; F263-V277 HydrophobicContact CB-CG2 3.93Å; F263-I303 HydrophobicContact CE2-CG2 4.22Å; F263-I303 HydrophobicContact CZ-CG2 4.21Å; F263-H306 AromaticContact CE2-CD2 3.95Å; F263-H312 AromaticContact CD1-CE1 3.79Å; F263-H312 AromaticContact CD1-NE2 3.76Å; F263-H312 AromaticContact CD2-CE1 3.82Å; F263-H312 AromaticContact CE1-NE2 3.97Å; F263-H312 AromaticContact CG-CE1 3.6Å
264	L	86.2	Confident	82.8	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	139.6	-175.1	-164.9	70.7	0	0	0	111	F253 W257 L258 F261 W262 M273 F291 I303	F253-L264 HydrophobicContact CE2-CD2 3.97Å; F253-L264 HydrophobicContact CZ-CD2 4.08Å; W257-L264 HydrophobicContact CB-CD2 4.23Å; L258-L264 HydrophobicContact CD2-CB 4.41Å; L258-L264 HydrophobicContact CD2-CG 4.42Å; L258-L264 WeakPolarHBondContact CD2-O 3.32Å; F261-L264 HydrophobicContact CB-CB 4.03Å; F261-L264 VanDerWaalsContact O-CB 3.25Å; F261-L264 WeakPolarHBondContact O-CB 3.36Å; F261-L264 PolarHBondContact O-N 3.47Å; W262-L264 PolarHBondContact O-N 3.05Å; L264-M273 HydrophobicContact CD1-CB 4.26Å; L264-M273 HydrophobicContact CD1-CG 4.39Å; L264-M273 HydrophobicContact CD1-SD 4.23Å; L264-M273 HydrophobicContact CD2-SD 4.37Å; L264-F291 HydrophobicContact CD1-CD1 4.25Å; L264-F291 HydrophobicContact CD1-CE1 3.92Å; L264-I303 HydrophobicContact CD2-CD1 3.78Å; L264-I303 HydrophobicContact CD2-CG1 4.42Å; L264-I303 HydrophobicContact CD2-CG2 4.36Å
265	R	86.3	Confident	83.1	Confident	110 Å²	110	72.1 Å²	72.1	42%	0.415	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	154.4	171.4	-65.8	-66.2	179.4	-88.6	-2.1	109.5	W262 M273 W274 H276	W262-R265 PolarHBondContact O-NH1 2.86Å; R265-M273 CarbonylContact O-C 3.6Å; R265-M273 WeakPolarHBondContact O-CA 3.25Å; R265-M273 WeakPolarHBondContact O-CB 3.39Å; R265-W274 HydrophobicContact CB-CD2 4.08Å; R265-W274 HydrophobicContact CB-CH2 4.19Å; R265-W274 HydrophobicContact CB-CZ2 3.64Å; R265-W274 HydrophobicContact CG-CZ2 4.5Å; R265-W274 PolarHBondContact N-O 3.42Å; R265-W274 PolarHBondContact O-N 2.92Å; R265-H276 HydrophobicContact CG-CB 4.01Å
266	Y	87.7	Confident	83.2	Confident	63 Å²	63	66.3 Å²	66.3	25%	0.247	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	136.9	-178.8	171.2	-103.9	0	0	0	110	F253 N271 E272 M273 F298	F253-Y266 HydrophobicContact CB-CD2 3.84Å; F253-Y266 HydrophobicContact CB-CE1 4.32Å; F253-Y266 HydrophobicContact CB-CE2 3.5Å; F253-Y266 VanDerWaalsContact CB-CE2 3.5Å; F253-Y266 HydrophobicContact CB-CG 4.38Å; F253-Y266 AromaticContact CD1-CD1 3.62Å; F253-Y266 HydrophobicContact CD1-CD1 3.62Å; F253-Y266 AromaticContact CD1-CD2 3.75Å; F253-Y266 HydrophobicContact CD1-CD2 3.75Å; F253-Y266 HydrophobicContact CD1-CE1 4.03Å; F253-Y266 HydrophobicContact CD1-CE2 4.15Å; F253-Y266 AromaticContact CD1-CG 3.45Å; F253-Y266 HydrophobicContact CD1-CG 3.45Å; F253-Y266 VanDerWaalsContact CD1-CG 3.45Å; F253-Y266 AromaticContact CD2-CD2 3.81Å; F253-Y266 HydrophobicContact CD2-CD2 3.81Å; F253-Y266 HydrophobicContact CD2-CE2 4.32Å; F253-Y266 HydrophobicContact CD2-CG 4.22Å; F253-Y266 HydrophobicContact CE1-CD1 4.02Å; F253-Y266 HydrophobicContact CE1-CD2 4.24Å; F253-Y266 AromaticContact CE1-CG 3.67Å; F253-Y266 HydrophobicContact CE1-CG 3.67Å; F253-Y266 HydrophobicContact CE2-CD2 4.29Å; F253-Y266 HydrophobicContact CE2-CG 4.39Å; F253-Y266 HydrophobicContact CG-CD1 4.21Å; F253-Y266 AromaticContact CG-CD2 3.51Å; F253-Y266 HydrophobicContact CG-CD2 3.51Å; F253-Y266 HydrophobicContact CG-CE1 4.4Å; F253-Y266 AromaticContact CG-CE2 3.74Å; F253-Y266 HydrophobicContact CG-CE2 3.74Å; F253-Y266 AromaticContact CG-CG 3.76Å; F253-Y266 HydrophobicContact CG-CG 3.76Å; F253-Y266 HydrophobicContact CZ-CD2 4.5Å; F253-Y266 HydrophobicContact CZ-CG 4.14Å; Y266-N271 PolarHBondContact OH-OD1 3.4Å; Y266-N271 VanDerWaalsContact OH-OD1 3.11Å; Y266-E272 WeakPolarHBondContact CA-O 3.34Å; Y266-E272 WeakPolarHBondContact CD2-O 3.39Å; Y266-M273 HydrophobicContact CD2-CB 4.35Å; Y266-F298 HydrophobicContact CD2-CE1 4.15Å; Y266-F298 HydrophobicContact CD2-CZ 4.36Å; Y266-F298 AromaticContact CE2-CE1 3.97Å; Y266-F298 HydrophobicContact CE2-CE1 3.97Å; Y266-F298 AromaticContact CE2-CZ 3.73Å; Y266-F298 HydrophobicContact CE2-CZ 3.73Å
267	S	81.5	Confident	83.2	Confident	20 Å²	20	60.9 Å²	60.9	14%	0.14	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.7	172.3	174.3	0	0	0	0	109.5	T269 L270 N271 E272	S267-T269 VanDerWaalsContact C-N 3.3Å; S267-T269 PolarHBondContact OG-N 3.17Å; S267-T269 PolarHBondContact OG-OG1 3.08Å; S267-L270 PolarHBondContact OG-N 3.4Å; S267-N271 VanDerWaalsContact O-CA 3.24Å; S267-N271 WeakPolarHBondContact O-CA 3.24Å; S267-N271 PolarHBondContact O-N 3.21Å; S267-E272 PolarHBondContact N-O 2.93Å; S267-E272 PolarHBondContact O-N 3.14Å
268	S	78.5	Confident	83.1	Confident	98 Å²	98	59.9 Å²	59.9	69%	0.685	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-26.1	174.8	52.1	0	0	0	0	112.8
269	T	79.6	Confident	83.2	Confident	124 Å²	124	62.9 Å²	62.9	76%	0.761	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-38.7	179.8	55	0	0	0	0	112.2	S267	S267-T269 VanDerWaalsContact C-N 3.3Å; S267-T269 PolarHBondContact OG-N 3.17Å; S267-T269 PolarHBondContact OG-OG1 3.08Å
270	L	79.8	Confident	83.1	Confident	110 Å²	110	59 Å²	59	58%	0.576	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-11.9	178.3	-59.7	177.1	0	0	0	112.9	S267 E272	S267-L270 PolarHBondContact OG-N 3.4Å; L270-E272 VanDerWaalsContact C-N 3.3Å; L270-E272 HydrophobicContact CB-CB 4.45Å; L270-E272 PolarHBondContact O-N 3.21Å
271	N	85.1	Confident	82.8	Confident	69 Å²	69	53.3 Å²	53.3	37%	0.369	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	47.6	-174.2	-169.7	33.7	0	0	0	112.2	Y266 S267 F298	Y266-N271 PolarHBondContact OH-OD1 3.4Å; Y266-N271 VanDerWaalsContact OH-OD1 3.11Å; S267-N271 VanDerWaalsContact O-CA 3.24Å; S267-N271 WeakPolarHBondContact O-CA 3.24Å; S267-N271 PolarHBondContact O-N 3.21Å; N271-F298 WeakPolarHBondContact O-CZ 3.42Å; N271-F298 WeakPolarHBondContact OD1-CE2 3.3Å; N271-F298 WeakPolarHBondContact OD1-CZ 3.41Å
272	E	87.8	Confident	82.5	Confident	42 Å²	42	53 Å²	53	20%	0.196	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	142.9	-176	-77.9	171.8	-173.4	0	0	110.7	Y266 S267 L270 S295 K296	Y266-E272 WeakPolarHBondContact CA-O 3.34Å; Y266-E272 WeakPolarHBondContact CD2-O 3.39Å; S267-E272 PolarHBondContact N-O 2.93Å; S267-E272 PolarHBondContact O-N 3.14Å; L270-E272 VanDerWaalsContact C-N 3.3Å; L270-E272 HydrophobicContact CB-CB 4.45Å; L270-E272 PolarHBondContact O-N 3.21Å; E272-S295 WeakPolarHBondContact CA-O 3.28Å; E272-K296 HydrophobicContact CG-CD 4.34Å; E272-K296 HydrophobicContact CG-CG 3.65Å; E272-K296 WeakPolarHBondContact OE1-CE 3.39Å; E272-K296 IonicContact OE1-NZ 2.71Å
273	M	87.1	Confident	81.5	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	144.2	168.7	69.2	177.7	-177.2	0	0	111	F253 L264 R265 Y266 F291 S295 Q297 F298 I303	F253-M273 HydrophobicContact CD2-CB 4.27Å; F253-M273 HydrophobicContact CD2-SD 4.18Å; F253-M273 HydrophobicContact CE2-CB 3.96Å; F253-M273 HydrophobicContact CE2-SD 3.92Å; L264-M273 HydrophobicContact CD1-CB 4.26Å; L264-M273 HydrophobicContact CD1-CG 4.39Å; L264-M273 HydrophobicContact CD1-SD 4.23Å; L264-M273 HydrophobicContact CD2-SD 4.37Å; R265-M273 CarbonylContact O-C 3.6Å; R265-M273 WeakPolarHBondContact O-CA 3.25Å; R265-M273 WeakPolarHBondContact O-CB 3.39Å; Y266-M273 HydrophobicContact CD2-CB 4.35Å; M273-F291 HydrophobicContact CE-CE1 3.78Å; M273-F291 HydrophobicContact CE-CZ 3.81Å; M273-F291 HydrophobicContact CG-CE1 4.48Å; M273-F291 HydrophobicContact SD-CE1 4.34Å; M273-S295 PolarHBondContact N-O 2.77Å; M273-S295 PolarHBondContact O-N 2.97Å; M273-Q297 WeakPolarHBondContact CE-O 3.25Å; M273-F298 HydrophobicContact CB-CE1 4.16Å; M273-F298 HydrophobicContact CE-CD1 4.37Å; M273-F298 HydrophobicContact CG-CD1 4.12Å; M273-F298 HydrophobicContact CG-CE1 4Å; M273-F298 HydrophobicContact SD-CD1 3.85Å; M273-F298 HydrophobicContact SD-CE1 4.33Å; M273-I303 HydrophobicContact CE-CD1 4.21Å; M273-I303 HydrophobicContact CE-CG1 3.86Å; M273-I303 HydrophobicContact SD-CD1 3.86Å; M273-I303 HydrophobicContact SD-CG1 4.03Å
274	W	88.1	Confident	80.3	Confident	50 Å²	50	59.1 Å²	59.1	19%	0.189	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	161.8	176.5	68.7	95.3	0	0	0	111	R265 R279 F291	R265-W274 HydrophobicContact CB-CD2 4.08Å; R265-W274 HydrophobicContact CB-CH2 4.19Å; R265-W274 HydrophobicContact CB-CZ2 3.64Å; R265-W274 HydrophobicContact CG-CZ2 4.5Å; R265-W274 PolarHBondContact N-O 3.42Å; R265-W274 PolarHBondContact O-N 2.92Å; W274-R279 VanDerWaalsContact CD1-CD 3.4Å; W274-F291 WeakPolarHBondContact CB-O 3.33Å
275	C	88.9	Confident	78.6	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	115.2	172.2	178.1	0	0	0	0	108.6	F263 V277 C278 R279 F291 H306	F263-C275 HydrophobicContact CD2-CB 4.25Å; F263-C275 CarbonylContact O-C 3.05Å; F263-C275 WeakPolarHBondContact O-CA 3.48Å; C275-V277 VanDerWaalsContact C-N 3.26Å; C275-V277 PolarHBondContact O-N 3.05Å; C275-C278 HydrophobicContact CB-CB 4.12Å; C275-C278 PolarHBondContact O-N 3.07Å; C275-C278 PolarHBondContact SG-N 2.79Å; C275-C278 VanDerWaalsContact SG-SG 3.67Å; C275-R279 WeakPolarHBondContact O-CB 3.4Å; C275-R279 PolarHBondContact O-N 3.1Å; C275-F291 HydrophobicContact CB-CB 4.12Å; C275-F291 HydrophobicContact CB-CD1 4.49Å; C275-F291 PolarHBondContact N-O 3.32Å; C275-H306 VanDerWaalsContact CB-NE2 3.25Å; C275-H306 WeakPolarHBondContact CB-NE2 3.4Å; C275-H306 PolarHBondContact SG-NE2 3.18Å; C275-H306 VanDerWaalsContact SG-NE2 3.36Å
276	H	80.9	Confident	77.1	Confident	26 Å²	26	61.3 Å²	61.3	12%	0.12	33%	0.328	C	S	.	.	H	α-helix	trans	-67.9	-30.5	-177.4	75.9	79.2	0	0	0	111.9	W262 F263 R265 Q280 Y319	W262-H276 AromaticContact CE3-NE2 3.78Å; W262-H276 AromaticContact CZ3-CE1 3.72Å; W262-H276 AromaticContact CZ3-NE2 3.62Å; F263-H276 PolarHBondContact O-CD2 3.3Å; F263-H276 PolarHBondContact O-N 3.06Å; R265-H276 HydrophobicContact CG-CB 4.01Å; H276-Q280 VanDerWaalsContact O-CB 3.27Å; H276-Q280 WeakPolarHBondContact O-CB 3.48Å; H276-Q280 PolarHBondContact O-N 3.23Å; H276-Q280 VanDerWaalsContact O-N 3.13Å; H276-Y319 AromaticContact CE1-CE2 3.7Å; H276-Y319 AromaticContact CE1-CZ 3.95Å
277	V	80.9	Confident	75.9	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-65	-54.7	176.1	178	0	0	0	0	110.4	W262 F263 C275 R279 Q280 Y281 C315 L316 Y319	W262-V277 HydrophobicContact CH2-CG2 3.56Å; W262-V277 HydrophobicContact CZ3-CG2 3.73Å; F263-V277 HydrophobicContact CB-CG2 3.93Å; C275-V277 VanDerWaalsContact C-N 3.26Å; C275-V277 PolarHBondContact O-N 3.05Å; V277-R279 VanDerWaalsContact C-N 3.33Å; V277-R279 PolarHBondContact O-N 3.3Å; V277-Q280 PolarHBondContact O-N 3.23Å; V277-Y281 VanDerWaalsContact O-CD2 3.27Å; V277-Y281 WeakPolarHBondContact O-CD2 3.49Å; V277-Y281 PolarHBondContact O-N 2.97Å; V277-C315 HydrophobicContact CG1-CB 3.98Å; V277-L316 HydrophobicContact CG1-CB 4.48Å; V277-Y319 HydrophobicContact CB-CD2 4.5Å; V277-Y319 HydrophobicContact CG1-CD2 4.29Å; V277-Y319 HydrophobicContact CG1-CG 4.14Å; V277-Y319 HydrophobicContact CG2-CD1 4.49Å; V277-Y319 HydrophobicContact CG2-CD2 3.89Å; V277-Y319 HydrophobicContact CG2-CE2 4.11Å; V277-Y319 HydrophobicContact CG2-CG 4.1Å
278	C	83.3	Confident	74.9	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-65.6	-38.5	179	-63.1	0	0	0	0	111.6	C275 Q280 Y281 T282 I292 H306 H312	C275-C278 HydrophobicContact CB-CB 4.12Å; C275-C278 PolarHBondContact O-N 3.07Å; C275-C278 PolarHBondContact SG-N 2.79Å; C275-C278 VanDerWaalsContact SG-SG 3.67Å; C278-Q280 PolarHBondContact O-N 3.46Å; C278-Y281 PolarHBondContact O-N 2.88Å; C278-T282 HydrophobicContact CB-CG2 4.12Å; C278-T282 WeakPolarHBondContact O-CB 3.31Å; C278-T282 WeakPolarHBondContact O-CG2 3.46Å; C278-T282 PolarHBondContact O-N 2.64Å; C278-T282 VanDerWaalsContact O-N 3.15Å; C278-T282 PolarHBondContact O-OG1 3.1Å; C278-I292 HydrophobicContact CB-CG1 4.04Å; C278-H306 PolarHBondContact SG-CE1 3.25Å; C278-H312 PolarHBondContact SG-ND1 3.43Å; C278-H312 VanDerWaalsContact SG-ND1 3.35Å
279	R	83.3	Confident	74.7	Confident	117 Å²	117	66.1 Å²	66.1	44%	0.442	35%	0.347	S	S	.	.	H	α-helix	trans	-61.7	-31.7	179.4	-170.5	171.2	-176.9	172	4.7	113.5	W274 C275 V277 I292	W274-R279 VanDerWaalsContact CD1-CD 3.4Å; C275-R279 WeakPolarHBondContact O-CB 3.4Å; C275-R279 PolarHBondContact O-N 3.1Å; V277-R279 VanDerWaalsContact C-N 3.33Å; V277-R279 PolarHBondContact O-N 3.3Å; R279-I292 WeakPolarHBondContact CD-O 3.26Å; R279-I292 WeakPolarHBondContact CG-O 3.38Å
280	Q	74.9	Confident	74.4	Confident	118 Å²	118	62.7 Å²	62.7	55%	0.551	33%	0.331	S	S	*	.	H	α-helix	trans	-89.2	-31.4	-177.8	-174.9	175.3	4.5	0	0	113.3	H276 V277 C278	H276-Q280 VanDerWaalsContact O-CB 3.27Å; H276-Q280 WeakPolarHBondContact O-CB 3.48Å; H276-Q280 PolarHBondContact O-N 3.23Å; H276-Q280 VanDerWaalsContact O-N 3.13Å; V277-Q280 PolarHBondContact O-N 3.23Å; C278-Q280 PolarHBondContact O-N 3.46Å
281	Y	72	Confident	74.5	Confident	24 Å²	24	58 Å²	58	9%	0.094	31%	0.307	C	S	.	.	H	α-helix	trans	-113.4	2.5	-168	-66.9	-90.5	0	0	0	115.2	V277 C278 L318 Y319 R322	V277-Y281 VanDerWaalsContact O-CD2 3.27Å; V277-Y281 WeakPolarHBondContact O-CD2 3.49Å; V277-Y281 PolarHBondContact O-N 2.97Å; C278-Y281 PolarHBondContact O-N 2.88Å; Y281-L318 HydrophobicContact CD1-CB 3.88Å; Y281-L318 HydrophobicContact CG-CB 4.45Å; Y281-Y319 HydrophobicContact CD2-CD2 4.26Å; Y281-Y319 AromaticContact CE2-CD2 3.58Å; Y281-Y319 HydrophobicContact CE2-CD2 3.58Å; Y281-Y319 HydrophobicContact CE2-CE2 4.49Å; Y281-Y319 HydrophobicContact CE2-CG 4.38Å; Y281-R322 HydrophobicContact CE1-CG 4.27Å
282	T	77	Confident	74.2	Confident	11 Å²	11	55.1 Å²	55.1	7%	0.067	29%	0.291	C	S	.	.	S	Bend	trans	-85.1	136.4	174.8	57.2	0	0	0	0	112.4	C278 I292 L311 C315	C278-T282 HydrophobicContact CB-CG2 4.12Å; C278-T282 WeakPolarHBondContact O-CB 3.31Å; C278-T282 WeakPolarHBondContact O-CG2 3.46Å; C278-T282 PolarHBondContact O-N 2.64Å; C278-T282 VanDerWaalsContact O-N 3.15Å; C278-T282 PolarHBondContact O-OG1 3.1Å; T282-I292 HydrophobicContact CG2-CD1 3.61Å; T282-I292 HydrophobicContact CG2-CG1 4.1Å; T282-L311 HydrophobicContact CG2-CD1 4.11Å; T282-L311 HydrophobicContact CG2-CD2 4.32Å; T282-L311 HydrophobicContact CG2-CG 4.24Å; T282-C315 WeakPolarHBondContact CG2-SG 3.42Å
283	V	60	Low	73.8	Confident	107 Å²	107	58.2 Å²	58.2	65%	0.648	31%	0.307	S	S	*	.			trans	-61.9	144.5	174.7	-167	0	0	0	0	110.8	S285 S286	V283-S285 PolarHBondContact O-N 3.01Å; V283-S285 VanDerWaalsContact O-N 3.08Å; V283-S286 PolarHBondContact O-N 3.08Å; V283-S286 VanDerWaalsContact O-N 3.09Å
284	Q	57.1	Low	73.5	Confident	152 Å²	152	58.9 Å²	58.9	71%	0.71	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-54.9	-29.8	-173.6	-79.3	177	-13.3	0	0	114.1	S286	Q284-S286 VanDerWaalsContact C-N 3.32Å; Q284-S286 PolarHBondContact O-N 3.25Å
285	S	49.9	Very low	73.2	Confident	103 Å²	103	57 Å²	57	72%	0.72	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-71.9	-15.5	-179.6	52.1	0	0	0	0	114.9	V283	V283-S285 PolarHBondContact O-N 3.01Å; V283-S285 VanDerWaalsContact O-N 3.08Å
286	S	56.2	Low	72.9	Confident	53 Å²	53	63.3 Å²	63.3	37%	0.371	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-113.6	20	-176.6	-48.3	0	0	0	0	114.1	V283 Q284 T288	V283-S286 PolarHBondContact O-N 3.08Å; V283-S286 VanDerWaalsContact O-N 3.09Å; Q284-S286 VanDerWaalsContact C-N 3.32Å; Q284-S286 PolarHBondContact O-N 3.25Å; S286-T288 PolarHBondContact O-N 3.36Å
287	R	62.8	Low	72.8	Confident	123 Å²	123	66.3 Å²	66.3	46%	0.464	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	24.4	-174.1	-73.4	-174.7	167.8	172.8	-2.8	115.5	I292 I293	R287-I292 HydrophobicContact CB-CG2 4.42Å; R287-I292 HydrophobicContact CG-CG2 4.25Å; R287-I293 VanDerWaalsContact O-CD1 3.27Å; R287-I293 WeakPolarHBondContact O-CD1 3.44Å; R287-I293 VanDerWaalsContact O-CG1 3.28Å; R287-I293 WeakPolarHBondContact O-CG1 3.34Å
288	T	60.5	Low	72.9	Confident	127 Å²	127	66.7 Å²	66.7	78%	0.779	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-11.7	-177.3	54.6	0	0	0	0	113.9	S286	S286-T288 PolarHBondContact O-N 3.36Å
289	S	72.4	Confident	73	Confident	32 Å²	32	70.8 Å²	70.8	22%	0.224	37%	0.37	C	S	.	.	S	Bend	trans	-72.5	136.5	-176.1	93.6	0	0	0	0	112.3	F291 I292 I293	S289-F291 PolarHBondContact O-N 2.96Å; S289-I292 WeakPolarHBondContact O-CB 3.23Å; S289-I292 PolarHBondContact O-N 3.42Å; S289-I292 WeakPolarHBondContact OG-CD1 3.49Å; S289-I292 WeakPolarHBondContact OG-CG1 3.22Å; S289-I293 PolarHBondContact O-N 2.85Å
290	A	74.8	Confident	73	Confident	53 Å²	53	68.4 Å²	68.4	44%	0.438	37%	0.365	S	S	.	.	H	α-helix	trans	-58.4	-23.2	-178.4	0	0	0	0	0	113.9	G294 S295	A290-G294 CarbonylContact O-C 3.49Å; A290-G294 WeakPolarHBondContact O-CA 3.36Å; A290-G294 PolarHBondContact O-N 3.3Å; A290-G294 VanDerWaalsContact O-N 3.1Å; A290-S295 WeakPolarHBondContact O-CB 3.37Å; A290-S295 PolarHBondContact O-N 2.96Å
291	F	82.4	Confident	73.4	Confident	12 Å²	12	69 Å²	69	5%	0.053	37%	0.368	C	S	.	.	H	α-helix	trans	-85.7	-8.1	176.3	-78.8	-81.8	0	0	0	114.3	L264 M273 W274 C275 S289 T302 I303 H306	L264-F291 HydrophobicContact CD1-CD1 4.25Å; L264-F291 HydrophobicContact CD1-CE1 3.92Å; M273-F291 HydrophobicContact CE-CE1 3.78Å; M273-F291 HydrophobicContact CE-CZ 3.81Å; M273-F291 HydrophobicContact CG-CE1 4.48Å; M273-F291 HydrophobicContact SD-CE1 4.34Å; W274-F291 WeakPolarHBondContact CB-O 3.33Å; C275-F291 HydrophobicContact CB-CB 4.12Å; C275-F291 HydrophobicContact CB-CD1 4.49Å; C275-F291 PolarHBondContact N-O 3.32Å; S289-F291 PolarHBondContact O-N 2.96Å; F291-T302 HydrophobicContact CE2-CG2 3.78Å; F291-T302 WeakPolarHBondContact CE2-O 3.47Å; F291-T302 HydrophobicContact CZ-CG2 4.06Å; F291-I303 HydrophobicContact CE1-CG1 4.15Å; F291-I303 HydrophobicContact CZ-CB 4.43Å; F291-I303 HydrophobicContact CZ-CG1 3.99Å; F291-H306 HydrophobicContact CD2-CB 3.61Å; F291-H306 AromaticContact CD2-CG 3.55Å; F291-H306 AromaticContact CD2-ND1 3.68Å; F291-H306 HydrophobicContact CE2-CB 3.48Å; F291-H306 VanDerWaalsContact CE2-CB 3.48Å; F291-H306 AromaticContact CE2-CG 3.94Å; F291-H306 HydrophobicContact CG-CB 4.23Å; F291-H306 AromaticContact CG-CG 3.74Å; F291-H306 AromaticContact CG-ND1 3.83Å; F291-H306 HydrophobicContact CZ-CB 4.03Å
292	I	78.8	Confident	73.9	Confident	8 Å²	8	69.9 Å²	69.9	4%	0.041	38%	0.376	C	S	.	.	H	α-helix	trans	-92	-48.1	173.4	-65.8	161.3	0	0	0	110	C278 R279 T282 R287 S289 L311	C278-I292 HydrophobicContact CB-CG1 4.04Å; R279-I292 WeakPolarHBondContact CD-O 3.26Å; R279-I292 WeakPolarHBondContact CG-O 3.38Å; T282-I292 HydrophobicContact CG2-CD1 3.61Å; T282-I292 HydrophobicContact CG2-CG1 4.1Å; R287-I292 HydrophobicContact CB-CG2 4.42Å; R287-I292 HydrophobicContact CG-CG2 4.25Å; S289-I292 WeakPolarHBondContact O-CB 3.23Å; S289-I292 PolarHBondContact O-N 3.42Å; S289-I292 WeakPolarHBondContact OG-CD1 3.49Å; S289-I292 WeakPolarHBondContact OG-CG1 3.22Å; I292-L311 HydrophobicContact CD1-CD2 4.1Å
293	I	78.4	Confident	74.3	Confident	106 Å²	106	69.4 Å²	69.4	54%	0.544	37%	0.373	S	S	.	.	H	α-helix	trans	-75.3	-44.9	-178.3	-55.6	175	0	0	0	110.6	R287 S289	R287-I293 VanDerWaalsContact O-CD1 3.27Å; R287-I293 WeakPolarHBondContact O-CD1 3.44Å; R287-I293 VanDerWaalsContact O-CG1 3.28Å; R287-I293 WeakPolarHBondContact O-CG1 3.34Å; S289-I293 PolarHBondContact O-N 2.85Å
294	G	79.8	Confident	75.6	Confident	15 Å²	15	69.3 Å²	69.3	16%	0.155	36%	0.364	C	S	.	.			trans	133.9	128.9	-171.9	0	0	0	0	0	110.4	A290	A290-G294 CarbonylContact O-C 3.49Å; A290-G294 WeakPolarHBondContact O-CA 3.36Å; A290-G294 PolarHBondContact O-N 3.3Å; A290-G294 VanDerWaalsContact O-N 3.1Å
295	S	82.5	Confident	76.9	Confident	9 Å²	9	67 Å²	67	6%	0.063	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-117.3	130.1	-177.2	179.9	0	0	0	0	111.1	E272 M273 A290 Q297	E272-S295 WeakPolarHBondContact CA-O 3.28Å; M273-S295 PolarHBondContact N-O 2.77Å; M273-S295 PolarHBondContact O-N 2.97Å; A290-S295 WeakPolarHBondContact O-CB 3.37Å; A290-S295 PolarHBondContact O-N 2.96Å; S295-Q297 VanDerWaalsContact C-N 3.32Å; S295-Q297 PolarHBondContact OG-N 3.18Å
296	K	82.3	Confident	78.6	Confident	133 Å²	133	62.7 Å²	62.7	58%	0.578	32%	0.324	S	S	*	.			trans	-89.9	0.1	171.5	-56	-173.4	179.5	174.1	0	112.4	E272 F298	E272-K296 HydrophobicContact CG-CD 4.34Å; E272-K296 HydrophobicContact CG-CG 3.65Å; E272-K296 WeakPolarHBondContact OE1-CE 3.39Å; E272-K296 IonicContact OE1-NZ 2.71Å; K296-F298 PolarHBondContact O-N 2.86Å
297	Q	79.6	Confident	79.9	Confident	90 Å²	90	61.9 Å²	61.9	42%	0.421	32%	0.318	S	S	.	.			trans	-92.8	86.5	-173.5	-168.4	59.5	42.6	0	0	111.6	M273 S295 K299	M273-Q297 WeakPolarHBondContact CE-O 3.25Å; S295-Q297 VanDerWaalsContact C-N 3.32Å; S295-Q297 PolarHBondContact OG-N 3.18Å; Q297-K299 HydrophobicContact CG-CD 4.22Å; Q297-K299 HydrophobicContact CG-CG 4.46Å; Q297-K299 PolarHBondContact O-N 3.12Å
298	F	84.1	Confident	81	Confident	8 Å²	8	62.1 Å²	62.1	4%	0.035	33%	0.325	C	S	.	.			trans	-78.5	79.6	-177.1	-52.2	-51.8	0	0	0	112.7	R251 F253 W257 Y266 N271 M273 K296	R251-F298 VanDerWaalsContact O-CD2 3.32Å; R251-F298 WeakPolarHBondContact O-CD2 3.29Å; F253-F298 HydrophobicContact CB-CD1 3.94Å; F253-F298 HydrophobicContact CB-CD2 4.26Å; F253-F298 HydrophobicContact CB-CE1 3.93Å; F253-F298 HydrophobicContact CB-CE2 4.26Å; F253-F298 HydrophobicContact CB-CG 4.09Å; F253-F298 HydrophobicContact CB-CZ 4.08Å; F253-F298 AromaticContact CD2-CD1 3.56Å; F253-F298 HydrophobicContact CD2-CD1 3.56Å; F253-F298 AromaticContact CD2-CE1 3.79Å; F253-F298 HydrophobicContact CD2-CE1 3.79Å; F253-F298 HydrophobicContact CD2-CG 4.33Å; F253-F298 HydrophobicContact CG-CD1 4.23Å; F253-F298 HydrophobicContact CG-CE1 4.27Å; W257-F298 HydrophobicContact CH2-CB 4.21Å; W257-F298 HydrophobicContact CZ3-CB 3.87Å; Y266-F298 HydrophobicContact CD2-CE1 4.15Å; Y266-F298 HydrophobicContact CD2-CZ 4.36Å; Y266-F298 AromaticContact CE2-CE1 3.97Å; Y266-F298 HydrophobicContact CE2-CE1 3.97Å; Y266-F298 AromaticContact CE2-CZ 3.73Å; Y266-F298 HydrophobicContact CE2-CZ 3.73Å; N271-F298 WeakPolarHBondContact O-CZ 3.42Å; N271-F298 WeakPolarHBondContact OD1-CE2 3.3Å; N271-F298 WeakPolarHBondContact OD1-CZ 3.41Å; M273-F298 HydrophobicContact CB-CE1 4.16Å; M273-F298 HydrophobicContact CE-CD1 4.37Å; M273-F298 HydrophobicContact CG-CD1 4.12Å; M273-F298 HydrophobicContact CG-CE1 4Å; M273-F298 HydrophobicContact SD-CD1 3.85Å; M273-F298 HydrophobicContact SD-CE1 4.33Å; K296-F298 PolarHBondContact O-N 2.86Å
299	K	84.4	Confident	82.1	Confident	86 Å²	86	57.8 Å²	57.8	37%	0.374	30%	0.3	S	S	.	.			trans	-126.2	122.5	174.8	-77.1	176.8	176	174.2	0	109.6	Q297 H301 T302 I303	Q297-K299 HydrophobicContact CG-CD 4.22Å; Q297-K299 HydrophobicContact CG-CG 4.46Å; Q297-K299 PolarHBondContact O-N 3.12Å; K299-H301 PolarHBondContact O-N 3.24Å; K299-T302 WeakPolarHBondContact CB-OG1 3.22Å; K299-T302 WeakPolarHBondContact O-CB 3.31Å; K299-T302 PolarHBondContact O-N 3.43Å; K299-I303 PolarHBondContact O-N 3.25Å
300	I	82.8	Confident	82.4	Confident	67 Å²	67	62 Å²	62	34%	0.344	32%	0.32	S	S	.	.	H	α-helix	trans	-58.5	-36	178.4	-167.2	169.9	0	0	0	112.8	W257 F261 T302 I303 K304	W257-I300 HydrophobicContact CZ2-CB 4.02Å; F261-I300 HydrophobicContact CE2-CD1 4.41Å; F261-I300 HydrophobicContact CE2-CG1 4.1Å; F261-I300 HydrophobicContact CZ-CG1 4.26Å; I300-T302 VanDerWaalsContact C-N 3.28Å; I300-T302 PolarHBondContact O-N 3.37Å; I300-I303 PolarHBondContact O-N 2.9Å; I300-K304 PolarHBondContact O-N 3.46Å
301	H	82.8	Confident	82.6	Confident	129 Å²	129	62.3 Å²	62.3	60%	0.597	31%	0.314	S	S	*	.	H	α-helix	trans	-58.5	-40.5	175.2	-175.7	-87.2	0	0	0	111.8	K299 I303 K304 L305	K299-H301 PolarHBondContact O-N 3.24Å; H301-I303 VanDerWaalsContact C-N 3.32Å; H301-I303 PolarHBondContact O-N 2.98Å; H301-K304 PolarHBondContact O-N 2.97Å; H301-L305 WeakPolarHBondContact O-CB 3.19Å; H301-L305 PolarHBondContact O-N 3.44Å
302	T	83.9	Confident	82.6	Confident	44 Å²	44	62 Å²	62	27%	0.27	31%	0.312	S	S	.	.	H	α-helix	trans	-67.1	-33.8	179.2	-53.1	0	0	0	0	111.9	F291 K299 I300 H306	F291-T302 HydrophobicContact CE2-CG2 3.78Å; F291-T302 WeakPolarHBondContact CE2-O 3.47Å; F291-T302 HydrophobicContact CZ-CG2 4.06Å; K299-T302 WeakPolarHBondContact CB-OG1 3.22Å; K299-T302 WeakPolarHBondContact O-CB 3.31Å; K299-T302 PolarHBondContact O-N 3.43Å; I300-T302 VanDerWaalsContact C-N 3.28Å; I300-T302 PolarHBondContact O-N 3.37Å; T302-H306 WeakPolarHBondContact O-CB 3.33Å; T302-H306 PolarHBondContact O-N 3.35Å; T302-H306 VanDerWaalsContact O-N 3.08Å
303	I	85	Confident	82.7	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-70.8	-42.5	174.3	-56.8	165.4	0	0	0	110.7	W257 F261 F263 L264 M273 F291 K299 I300 H301 H306 S307	W257-I303 HydrophobicContact CD2-CD1 3.98Å; W257-I303 HydrophobicContact CE3-CD1 3.48Å; W257-I303 VanDerWaalsContact CE3-CD1 3.48Å; W257-I303 HydrophobicContact CG-CD1 4.46Å; W257-I303 HydrophobicContact CZ3-CD1 3.97Å; F261-I303 HydrophobicContact CB-CG2 4.19Å; F261-I303 HydrophobicContact CD1-CG2 3.77Å; F261-I303 HydrophobicContact CD2-CG2 3.69Å; F261-I303 HydrophobicContact CE1-CG2 3.99Å; F261-I303 HydrophobicContact CE2-CB 4.42Å; F261-I303 HydrophobicContact CE2-CG2 3.91Å; F261-I303 HydrophobicContact CG-CG2 3.61Å; F261-I303 HydrophobicContact CZ-CG2 4.05Å; F263-I303 HydrophobicContact CE2-CG2 4.22Å; F263-I303 HydrophobicContact CZ-CG2 4.21Å; L264-I303 HydrophobicContact CD2-CD1 3.78Å; L264-I303 HydrophobicContact CD2-CG1 4.42Å; L264-I303 HydrophobicContact CD2-CG2 4.36Å; M273-I303 HydrophobicContact CE-CD1 4.21Å; M273-I303 HydrophobicContact CE-CG1 3.86Å; M273-I303 HydrophobicContact SD-CD1 3.86Å; M273-I303 HydrophobicContact SD-CG1 4.03Å; F291-I303 HydrophobicContact CE1-CG1 4.15Å; F291-I303 HydrophobicContact CZ-CB 4.43Å; F291-I303 HydrophobicContact CZ-CG1 3.99Å; K299-I303 PolarHBondContact O-N 3.25Å; I300-I303 PolarHBondContact O-N 2.9Å; H301-I303 VanDerWaalsContact C-N 3.32Å; H301-I303 PolarHBondContact O-N 2.98Å; I303-H306 PolarHBondContact O-N 3.27Å; I303-S307 PolarHBondContact O-N 3.08Å
304	K	86.6	Confident	82.7	Confident	105 Å²	105	69 Å²	69	46%	0.457	34%	0.338	S	S	.	.	H	α-helix	trans	-62.2	-47.1	175	-73.5	-173.9	173.5	-170.4	0	112	F261 I300 H301 H306 S307 Q308	F261-K304 HydrophobicContact CE1-CG 4.24Å; F261-K304 HydrophobicContact CZ-CG 3.96Å; I300-K304 PolarHBondContact O-N 3.46Å; H301-K304 PolarHBondContact O-N 2.97Å; K304-H306 VanDerWaalsContact C-N 3.29Å; K304-H306 PolarHBondContact O-N 2.93Å; K304-S307 PolarHBondContact O-N 3.43Å; K304-S307 VanDerWaalsContact O-N 3.11Å; K304-S307 PolarHBondContact O-OG 3.08Å; K304-Q308 PolarHBondContact O-N 2.87Å; K304-Q308 VanDerWaalsContact O-N 3.1Å
305	L	85.4	Confident	82.6	Confident	103 Å²	103	68.4 Å²	68.4	54%	0.539	33%	0.332	S	S	.	.	H	α-helix	trans	-60.6	-39.8	177.8	-162	76.6	0	0	0	111.5	H301 Q308 S309	H301-L305 WeakPolarHBondContact O-CB 3.19Å; H301-L305 PolarHBondContact O-N 3.44Å; L305-Q308 PolarHBondContact O-N 2.71Å; L305-S309 PolarHBondContact O-N 3.43Å; L305-S309 VanDerWaalsContact O-N 3.12Å
306	H	85.6	Confident	82.3	Confident	14 Å²	14	69.5 Å²	69.5	7%	0.065	34%	0.337	C	S	.	.	H	α-helix	trans	-62.6	-45.8	172.5	173.6	70	0	0	0	112.4	F263 C275 C278 F291 T302 I303 K304 Q308 S309 H312	F263-H306 AromaticContact CE2-CD2 3.95Å; C275-H306 VanDerWaalsContact CB-NE2 3.25Å; C275-H306 WeakPolarHBondContact CB-NE2 3.4Å; C275-H306 PolarHBondContact SG-NE2 3.18Å; C275-H306 VanDerWaalsContact SG-NE2 3.36Å; C278-H306 PolarHBondContact SG-CE1 3.25Å; F291-H306 HydrophobicContact CD2-CB 3.61Å; F291-H306 AromaticContact CD2-CG 3.55Å; F291-H306 AromaticContact CD2-ND1 3.68Å; F291-H306 HydrophobicContact CE2-CB 3.48Å; F291-H306 VanDerWaalsContact CE2-CB 3.48Å; F291-H306 AromaticContact CE2-CG 3.94Å; F291-H306 HydrophobicContact CG-CB 4.23Å; F291-H306 AromaticContact CG-CG 3.74Å; F291-H306 AromaticContact CG-ND1 3.83Å; F291-H306 HydrophobicContact CZ-CB 4.03Å; T302-H306 WeakPolarHBondContact O-CB 3.33Å; T302-H306 PolarHBondContact O-N 3.35Å; T302-H306 VanDerWaalsContact O-N 3.08Å; I303-H306 PolarHBondContact O-N 3.27Å; K304-H306 VanDerWaalsContact C-N 3.29Å; K304-H306 PolarHBondContact O-N 2.93Å; H306-Q308 PolarHBondContact O-N 2.86Å; H306-S309 VanDerWaalsContact O-CB 3.28Å; H306-S309 WeakPolarHBondContact O-CB 3.37Å; H306-S309 PolarHBondContact O-N 3.16Å; H306-S309 PolarHBondContact O-OG 3.16Å; H306-H312 AromaticContact CD2-ND1 3.8Å; H306-H312 AromaticContact CE1-ND1 3.86Å; H306-H312 AromaticContact NE2-CE1 3.98Å; H306-H312 AromaticContact NE2-CG 3.85Å; H306-H312 AromaticContact NE2-ND1 3.16Å; H306-H312 PolarHBondContact NE2-ND1 3.08Å; H306-H312 VanDerWaalsContact NE2-ND1 3.16Å; H306-H312 WeakPolarHBondContact O-CB 3.32Å
307	S	83.9	Confident	81.7	Confident	35 Å²	35	69.6 Å²	69.6	25%	0.245	34%	0.34	C	S	.	.	H	α-helix	trans	-60.3	-27.8	179	70.5	0	0	0	0	113.3	I303 K304 H312	I303-S307 PolarHBondContact O-N 3.08Å; K304-S307 PolarHBondContact O-N 3.43Å; K304-S307 VanDerWaalsContact O-N 3.11Å; K304-S307 PolarHBondContact O-OG 3.08Å; S307-H312 PolarHBondContact O-CD2 3.07Å
308	Q	84.3	Confident	81	Confident	128 Å²	128	68.1 Å²	68.1	60%	0.598	33%	0.334	S	S	*	.	H	α-helix	trans	-88.5	-11.2	177.1	-68.6	173.1	-20.8	0	0	113.3	K304 L305 H306 K313	K304-Q308 PolarHBondContact O-N 2.87Å; K304-Q308 VanDerWaalsContact O-N 3.1Å; L305-Q308 PolarHBondContact O-N 2.71Å; H306-Q308 PolarHBondContact O-N 2.86Å; Q308-K313 WeakPolarHBondContact O-CE 3.33Å
309	S	84.1	Confident	80.3	Confident	37 Å²	37	69.8 Å²	69.8	26%	0.259	34%	0.341	S	S	.	.	S	Bend	trans	-66.1	143.5	-177.1	72.7	0	0	0	0	112.6	L305 H306 L311 H312 K313	L305-S309 PolarHBondContact O-N 3.43Å; L305-S309 VanDerWaalsContact O-N 3.12Å; H306-S309 VanDerWaalsContact O-CB 3.28Å; H306-S309 WeakPolarHBondContact O-CB 3.37Å; H306-S309 PolarHBondContact O-N 3.16Å; H306-S309 PolarHBondContact O-OG 3.16Å; S309-L311 PolarHBondContact O-N 3.16Å; S309-H312 PolarHBondContact O-N 2.77Å; S309-H312 VanDerWaalsContact O-N 3.09Å; S309-H312 WeakPolarHBondContact OG-CB 3.48Å; S309-H312 PolarHBondContact OG-N 2.64Å; S309-K313 PolarHBondContact O-N 3.5Å
310	N	78.1	Confident	79.2	Confident	121 Å²	121	71.6 Å²	71.6	65%	0.647	35%	0.349	S	S	*	.	H	α-helix	trans	-58.4	-35.6	178	-70.5	-24.8	0	0	0	112.4	K313 K314	N310-K313 PolarHBondContact O-N 3.01Å; N310-K314 WeakPolarHBondContact O-CG 3.36Å; N310-K314 PolarHBondContact O-N 3.32Å
311	L	80.3	Confident	78.1	Confident	59 Å²	59	72.3 Å²	72.3	31%	0.309	35%	0.353	S	S	.	.	H	α-helix	trans	-62.8	-44.7	176.1	-173.9	63.9	0	0	0	111.7	T282 I292 S309 K314 C315	T282-L311 HydrophobicContact CG2-CD1 4.11Å; T282-L311 HydrophobicContact CG2-CD2 4.32Å; T282-L311 HydrophobicContact CG2-CG 4.24Å; I292-L311 HydrophobicContact CD1-CD2 4.1Å; S309-L311 PolarHBondContact O-N 3.16Å; L311-K314 PolarHBondContact O-N 3.43Å; L311-C315 PolarHBondContact O-N 2.89Å; L311-C315 PolarHBondContact O-SG 2.85Å
312	H	82.1	Confident	76.7	Confident	5 Å²	5	74.4 Å²	74.4	2%	0.023	36%	0.355	C	S	.	.	H	α-helix	trans	-64.6	-43.5	176.9	-175.3	77.8	0	0	0	111.8	F263 C278 H306 S307 S309 K314 C315 L316	F263-H312 AromaticContact CD1-CE1 3.79Å; F263-H312 AromaticContact CD1-NE2 3.76Å; F263-H312 AromaticContact CD2-CE1 3.82Å; F263-H312 AromaticContact CE1-NE2 3.97Å; F263-H312 AromaticContact CG-CE1 3.6Å; C278-H312 PolarHBondContact SG-ND1 3.43Å; C278-H312 VanDerWaalsContact SG-ND1 3.35Å; H306-H312 AromaticContact CD2-ND1 3.8Å; H306-H312 AromaticContact CE1-ND1 3.86Å; H306-H312 AromaticContact NE2-CE1 3.98Å; H306-H312 AromaticContact NE2-CG 3.85Å; H306-H312 AromaticContact NE2-ND1 3.16Å; H306-H312 PolarHBondContact NE2-ND1 3.08Å; H306-H312 VanDerWaalsContact NE2-ND1 3.16Å; H306-H312 WeakPolarHBondContact O-CB 3.32Å; S307-H312 PolarHBondContact O-CD2 3.07Å; S309-H312 PolarHBondContact O-N 2.77Å; S309-H312 VanDerWaalsContact O-N 3.09Å; S309-H312 WeakPolarHBondContact OG-CB 3.48Å; S309-H312 PolarHBondContact OG-N 2.64Å; H312-K314 PolarHBondContact O-N 3.24Å; H312-C315 PolarHBondContact O-N 2.94Å; H312-L316 WeakPolarHBondContact O-CB 3.35Å; H312-L316 PolarHBondContact O-N 3.17Å
313	K	81.5	Confident	74.6	Confident	116 Å²	116	76.5 Å²	76.5	50%	0.504	36%	0.363	S	S	.	.	H	α-helix	trans	-58.1	-46.4	176.6	-68.7	178.1	-179.2	176.3	0	112.1	Q308 S309 N310 L316 Q317	Q308-K313 WeakPolarHBondContact O-CE 3.33Å; S309-K313 PolarHBondContact O-N 3.5Å; N310-K313 PolarHBondContact O-N 3.01Å; K313-L316 PolarHBondContact O-N 3.16Å; K313-Q317 PolarHBondContact O-N 2.74Å
314	K	78	Confident	72.8	Confident	144 Å²	144	81.3 Å²	81.3	63%	0.626	39%	0.386	S	S	*	.	H	α-helix	trans	-61.7	-47.7	176	-72.9	-176.4	178.9	-172.6	0	112.5	N310 L311 H312 L316 Q317 L318	N310-K314 WeakPolarHBondContact O-CG 3.36Å; N310-K314 PolarHBondContact O-N 3.32Å; L311-K314 PolarHBondContact O-N 3.43Å; H312-K314 PolarHBondContact O-N 3.24Å; K314-L316 VanDerWaalsContact C-N 3.28Å; K314-L316 PolarHBondContact O-N 2.76Å; K314-Q317 WeakPolarHBondContact O-CB 3.38Å; K314-Q317 PolarHBondContact O-N 3.07Å; K314-L318 PolarHBondContact O-N 3.04Å
315	C	77.5	Confident	70.8	Confident	4 Å²	4	80.2 Å²	80.2	3%	0.027	39%	0.389	C	S	.	.	H	α-helix	trans	-64.4	-35.5	178.1	-63	0	0	0	0	112.1	V277 T282 L311 H312 L318 Y319	V277-C315 HydrophobicContact CG1-CB 3.98Å; T282-C315 WeakPolarHBondContact CG2-SG 3.42Å; L311-C315 PolarHBondContact O-N 2.89Å; L311-C315 PolarHBondContact O-SG 2.85Å; H312-C315 PolarHBondContact O-N 2.94Å; C315-L318 PolarHBondContact O-N 3.26Å; C315-Y319 WeakPolarHBondContact O-CB 3.46Å; C315-Y319 PolarHBondContact O-N 2.86Å
316	L	76.9	Confident	68.8	Low	32 Å²	32	82.9 Å²	82.9	17%	0.168	40%	0.399	C	S	.	.	H	α-helix	trans	-68.9	-35.6	176.9	-178.8	61.3	0	0	0	111.9	W262 V277 H312 K313 K314 Y319 K320	W262-L316 HydrophobicContact CH2-CD1 3.77Å; W262-L316 HydrophobicContact CZ2-CD1 3.49Å; W262-L316 VanDerWaalsContact CZ2-CD1 3.49Å; V277-L316 HydrophobicContact CG1-CB 4.48Å; H312-L316 WeakPolarHBondContact O-CB 3.35Å; H312-L316 PolarHBondContact O-N 3.17Å; K313-L316 PolarHBondContact O-N 3.16Å; K314-L316 VanDerWaalsContact C-N 3.28Å; K314-L316 PolarHBondContact O-N 2.76Å; L316-Y319 HydrophobicContact CD1-CD1 4.32Å; L316-Y319 PolarHBondContact O-N 3.35Å; L316-K320 HydrophobicContact CD1-CG 4.4Å; L316-K320 HydrophobicContact CG-CD 4.39Å; L316-K320 WeakPolarHBondContact O-CB 3.32Å; L316-K320 VanDerWaalsContact O-CG 3.27Å; L316-K320 WeakPolarHBondContact O-CG 3.46Å; L316-K320 PolarHBondContact O-N 3.18Å
317	Q	68.8	Low	66.9	Low	134 Å²	134	89.2 Å²	89.2	63%	0.626	43%	0.426	S	S	*	.	H	α-helix	trans	-59.5	-49.7	172.4	-160.9	109.3	-2.9	0	0	110.8	K313 K314 Y319 K320 L321	K313-Q317 PolarHBondContact O-N 2.74Å; K314-Q317 WeakPolarHBondContact O-CB 3.38Å; K314-Q317 PolarHBondContact O-N 3.07Å; Q317-Y319 VanDerWaalsContact C-N 3.33Å; Q317-Y319 PolarHBondContact O-N 2.88Å; Q317-K320 PolarHBondContact O-N 3Å; Q317-L321 WeakPolarHBondContact O-CG 3.13Å; Q317-L321 PolarHBondContact O-N 3.45Å
318	L	65.9	Low	65.9	Low	59 Å²	59	89.5 Å²	89.5	31%	0.309	43%	0.426	S	S	.	.	H	α-helix	trans	-62.7	-39.3	176.8	-66.9	172	0	0	0	112.4	Y281 K314 C315 L321 R322	Y281-L318 HydrophobicContact CD1-CB 3.88Å; Y281-L318 HydrophobicContact CG-CB 4.45Å; K314-L318 PolarHBondContact O-N 3.04Å; C315-L318 PolarHBondContact O-N 3.26Å; L318-L321 PolarHBondContact O-N 3.07Å; L318-R322 PolarHBondContact O-N 3.04Å; L318-R322 VanDerWaalsContact O-N 3.15Å
319	Y	68.1	Low	65.1	Low	43 Å²	43	88.3 Å²	88.3	17%	0.169	42%	0.421	C	S	.	.	H	α-helix	trans	-63.5	-43.7	174.4	-179.9	-87.7	0	0	0	112.1	W262 H276 V277 Y281 C315 L316 Q317 L321 R322 M323	W262-Y319 AromaticContact CH2-CD1 3.71Å; W262-Y319 HydrophobicContact CH2-CD1 3.71Å; W262-Y319 AromaticContact CH2-CE1 3.37Å; W262-Y319 HydrophobicContact CH2-CE1 3.37Å; W262-Y319 HydrophobicContact CH2-CG 4.5Å; W262-Y319 AromaticContact CH2-CZ 3.92Å; W262-Y319 HydrophobicContact CZ2-CE1 4.5Å; W262-Y319 HydrophobicContact CZ3-CD1 4.32Å; W262-Y319 AromaticContact CZ3-CE1 3.58Å; W262-Y319 HydrophobicContact CZ3-CE1 3.58Å; W262-Y319 HydrophobicContact CZ3-CE2 4.44Å; W262-Y319 AromaticContact CZ3-CZ 3.66Å; H276-Y319 AromaticContact CE1-CE2 3.7Å; H276-Y319 AromaticContact CE1-CZ 3.95Å; V277-Y319 HydrophobicContact CB-CD2 4.5Å; V277-Y319 HydrophobicContact CG1-CD2 4.29Å; V277-Y319 HydrophobicContact CG1-CG 4.14Å; V277-Y319 HydrophobicContact CG2-CD1 4.49Å; V277-Y319 HydrophobicContact CG2-CD2 3.89Å; V277-Y319 HydrophobicContact CG2-CE2 4.11Å; V277-Y319 HydrophobicContact CG2-CG 4.1Å; Y281-Y319 HydrophobicContact CD2-CD2 4.26Å; Y281-Y319 AromaticContact CE2-CD2 3.58Å; Y281-Y319 HydrophobicContact CE2-CD2 3.58Å; Y281-Y319 HydrophobicContact CE2-CE2 4.49Å; Y281-Y319 HydrophobicContact CE2-CG 4.38Å; C315-Y319 WeakPolarHBondContact O-CB 3.46Å; C315-Y319 PolarHBondContact O-N 2.86Å; L316-Y319 HydrophobicContact CD1-CD1 4.32Å; L316-Y319 PolarHBondContact O-N 3.35Å; Q317-Y319 VanDerWaalsContact C-N 3.33Å; Q317-Y319 PolarHBondContact O-N 2.88Å; Y319-L321 VanDerWaalsContact C-N 3.33Å; Y319-L321 PolarHBondContact O-N 3.4Å; Y319-R322 PolarHBondContact O-N 3.39Å; Y319-M323 HydrophobicContact CD1-CB 4.48Å; Y319-M323 HydrophobicContact CD1-CG 3.92Å; Y319-M323 HydrophobicContact CD2-CE 4.22Å; Y319-M323 HydrophobicContact CD2-CG 4.15Å; Y319-M323 HydrophobicContact CE1-CB 4.23Å; Y319-M323 HydrophobicContact CE1-CG 3.62Å; Y319-M323 HydrophobicContact CE2-CE 3.58Å; Y319-M323 HydrophobicContact CE2-CG 3.88Å; Y319-M323 HydrophobicContact CE2-SD 4.21Å; Y319-M323 HydrophobicContact CG-CG 4.16Å; Y319-M323 VanDerWaalsContact O-CB 3.27Å; Y319-M323 WeakPolarHBondContact O-CB 3.43Å; Y319-M323 WeakPolarHBondContact O-CG 3.44Å; Y319-M323 PolarHBondContact O-N 2.96Å
320	K	62	Low	64.6	Low	125 Å²	125	90.5 Å²	90.5	54%	0.543	43%	0.427	S	S	.	.	H	α-helix	trans	-63.4	-38.4	177.2	-76.7	175.7	176.7	-174.8	0	112.1	L316 Q317 H324	L316-K320 HydrophobicContact CD1-CG 4.4Å; L316-K320 HydrophobicContact CG-CD 4.39Å; L316-K320 WeakPolarHBondContact O-CB 3.32Å; L316-K320 VanDerWaalsContact O-CG 3.27Å; L316-K320 WeakPolarHBondContact O-CG 3.46Å; L316-K320 PolarHBondContact O-N 3.18Å; Q317-K320 PolarHBondContact O-N 3Å; K320-H324 PolarHBondContact O-N 3.44Å
321	L	59	Low	64.4	Low	82 Å²	82	88 Å²	88	43%	0.429	41%	0.412	S	S	.	.	H	α-helix	trans	-65.1	-35.8	175.3	-71.7	167.7	0	0	0	112.4	Q317 L318 Y319 T328	Q317-L321 WeakPolarHBondContact O-CG 3.13Å; Q317-L321 PolarHBondContact O-N 3.45Å; L318-L321 PolarHBondContact O-N 3.07Å; Y319-L321 VanDerWaalsContact C-N 3.33Å; Y319-L321 PolarHBondContact O-N 3.4Å; L321-T328 HydrophobicContact CD2-CG2 4.41Å; L321-T328 WeakPolarHBondContact O-CG2 3.19Å
322	R	54.1	Low	64.3	Low	172 Å²	172	87.1 Å²	87.1	65%	0.649	41%	0.41	S	S	*	.	H	α-helix	trans	-86.4	-18.4	179.2	-67.9	-158.9	-170.1	146.6	-4.8	115.2	Y281 L318 Y319	Y281-R322 HydrophobicContact CE1-CG 4.27Å; L318-R322 PolarHBondContact O-N 3.04Å; L318-R322 VanDerWaalsContact O-N 3.15Å; Y319-R322 PolarHBondContact O-N 3.39Å
323	M	40.4	Very low	64.3	Low	88 Å²	88	92.6 Å²	92.6	43%	0.433	43%	0.434	S	S	.	.	H	α-helix	trans	-98.6	-8.9	-173.4	-69.6	-78.6	166.3	0	0	114.2	Y319 P325	Y319-M323 HydrophobicContact CD1-CB 4.48Å; Y319-M323 HydrophobicContact CD1-CG 3.92Å; Y319-M323 HydrophobicContact CD2-CE 4.22Å; Y319-M323 HydrophobicContact CD2-CG 4.15Å; Y319-M323 HydrophobicContact CE1-CB 4.23Å; Y319-M323 HydrophobicContact CE1-CG 3.62Å; Y319-M323 HydrophobicContact CE2-CE 3.58Å; Y319-M323 HydrophobicContact CE2-CG 3.88Å; Y319-M323 HydrophobicContact CE2-SD 4.21Å; Y319-M323 HydrophobicContact CG-CG 4.16Å; Y319-M323 VanDerWaalsContact O-CB 3.27Å; Y319-M323 WeakPolarHBondContact O-CB 3.43Å; Y319-M323 WeakPolarHBondContact O-CG 3.44Å; Y319-M323 PolarHBondContact O-N 2.96Å; M323-P325 VanDerWaalsContact C-CD 3.4Å; M323-P325 WeakPolarHBondContact O-CD 3.16Å
324	H	46.3	Very low	64.4	Low	102 Å²	102	88.3 Å²	88.3	47%	0.472	42%	0.417	S	S	.	.			trans	-120.8	68.9	173	-67.4	-67.8	0	0	0	111.3	K320 E326 K327 T328	K320-H324 PolarHBondContact O-N 3.44Å; H324-E326 PolarHBondContact O-N 2.95Å; H324-E326 VanDerWaalsContact O-N 3.16Å; H324-K327 HydrophobicContact CB-CB 4.16Å; H324-K327 HydrophobicContact CB-CD 4.47Å; H324-K327 HydrophobicContact CB-CG 4.4Å; H324-K327 PolarHBondContact O-N 2.92Å; H324-K327 VanDerWaalsContact O-N 3.1Å; H324-T328 PolarHBondContact O-N 3.25Å; H324-T328 PolarHBondContact O-OG1 2.81Å
325	P	45.3	Very low	64.9	Low	81 Å²	81	81.5 Å²	81.5	53%	0.526	39%	0.387	S	S	.	.	H	α-helix	trans	-54.5	-34.9	-179.7	21.1	-31.5	0	0	0	112.3	M323 T328 E329	M323-P325 VanDerWaalsContact C-CD 3.4Å; M323-P325 WeakPolarHBondContact O-CD 3.16Å; P325-T328 VanDerWaalsContact C-OG1 3.26Å; P325-T328 WeakPolarHBondContact CA-OG1 3.24Å; P325-T328 PolarHBondContact O-N 3.02Å; P325-T328 PolarHBondContact O-OG1 3.48Å; P325-E329 VanDerWaalsContact O-CB 3.27Å; P325-E329 WeakPolarHBondContact O-CB 3.29Å; P325-E329 PolarHBondContact O-N 3.26Å
326	E	42.1	Very low	65.4	Low	159 Å²	159	83.4 Å²	83.4	74%	0.743	40%	0.399	S	S	*	.	H	α-helix	trans	-65.3	-38.7	179.2	-62.7	171.8	-168.1	0	0	113.4	H324 E329 E330	H324-E326 PolarHBondContact O-N 2.95Å; H324-E326 VanDerWaalsContact O-N 3.16Å; E326-E329 PolarHBondContact O-N 2.75Å; E326-E330 WeakPolarHBondContact O-CB 3.25Å; E326-E330 PolarHBondContact O-N 3.28Å
327	K	46.5	Very low	66.1	Low	148 Å²	148	84 Å²	84	64%	0.643	40%	0.402	S	S	*	.	H	α-helix	trans	-76	-30.2	176.4	-69.7	-172.6	177	-176	0	112.1	H324 M331	H324-K327 HydrophobicContact CB-CB 4.16Å; H324-K327 HydrophobicContact CB-CD 4.47Å; H324-K327 HydrophobicContact CB-CG 4.4Å; H324-K327 PolarHBondContact O-N 2.92Å; H324-K327 VanDerWaalsContact O-N 3.1Å; K327-M331 WeakPolarHBondContact O-CB 3.33Å; K327-M331 PolarHBondContact O-N 2.92Å; K327-M331 VanDerWaalsContact O-N 3.08Å
328	T	61.7	Low	67.1	Low	41 Å²	41	77.6 Å²	77.6	25%	0.252	37%	0.372	S	S	.	.	H	α-helix	trans	-73.8	-36.6	170.8	40.8	0	0	0	0	112	L321 H324 P325 M331 C332	L321-T328 HydrophobicContact CD2-CG2 4.41Å; L321-T328 WeakPolarHBondContact O-CG2 3.19Å; H324-T328 PolarHBondContact O-N 3.25Å; H324-T328 PolarHBondContact O-OG1 2.81Å; P325-T328 VanDerWaalsContact C-OG1 3.26Å; P325-T328 WeakPolarHBondContact CA-OG1 3.24Å; P325-T328 PolarHBondContact O-N 3.02Å; P325-T328 PolarHBondContact O-OG1 3.48Å; T328-M331 PolarHBondContact O-N 3.49Å; T328-C332 WeakPolarHBondContact O-CB 3.01Å; T328-C332 PolarHBondContact O-N 3.15Å; T328-C332 PolarHBondContact O-SG 2.89Å
329	E	67.9	Low	68.4	Low	102 Å²	102	74.8 Å²	74.8	48%	0.477	36%	0.357	S	S	.	.	H	α-helix	trans	-70.2	-43.2	177.8	-167.9	-171.7	154.6	0	0	111.2	P325 E326 C332 K333	P325-E329 VanDerWaalsContact O-CB 3.27Å; P325-E329 WeakPolarHBondContact O-CB 3.29Å; P325-E329 PolarHBondContact O-N 3.26Å; E326-E329 PolarHBondContact O-N 2.75Å; E329-C332 WeakPolarHBondContact O-CB 3.32Å; E329-C332 PolarHBondContact O-N 2.96Å; E329-K333 WeakPolarHBondContact O-CG 3.26Å; E329-K333 PolarHBondContact O-N 2.96Å; E329-K333 VanDerWaalsContact OE1-CE 3.28Å; E329-K333 WeakPolarHBondContact OE1-CE 3.42Å; E329-K333 IonicContact OE1-NZ 2.72Å; E329-K333 PolarHBondContact OE1-NZ 3.06Å
330	E	73.2	Confident	69.6	Low	84 Å²	84	75.5 Å²	75.5	39%	0.393	36%	0.364	S	S	.	.	H	α-helix	trans	-64	-41.7	173	-172.1	168	-155.1	0	0	111.4	E326 C332 K333 N334 K368	E326-E330 WeakPolarHBondContact O-CB 3.25Å; E326-E330 PolarHBondContact O-N 3.28Å; E330-C332 PolarHBondContact O-N 3.17Å; E330-K333 PolarHBondContact O-N 2.82Å; E330-N334 WeakPolarHBondContact O-CB 2.79Å; E330-N334 PolarHBondContact O-N 2.7Å; E330-N334 PolarHBondContact O-ND2 3.16Å; E330-N334 PolarHBondContact O-OD1 3.43Å; E330-K368 IonicContact OE1-NZ 2.79Å; E330-K368 PolarHBondContact OE1-NZ 3.29Å
331	M	75.2	Confident	71.1	Confident	67 Å²	67	69.8 Å²	69.8	33%	0.33	34%	0.341	S	S	.	.	H	α-helix	trans	-61.7	-41.8	172.3	-175.9	67.7	89.8	0	0	111.9	K327 T328 N334 M335 V370 F879	K327-M331 WeakPolarHBondContact O-CB 3.33Å; K327-M331 PolarHBondContact O-N 2.92Å; K327-M331 VanDerWaalsContact O-N 3.08Å; T328-M331 PolarHBondContact O-N 3.49Å; M331-N334 PolarHBondContact O-N 3.12Å; M331-M335 HydrophobicContact CG-CG 4.26Å; M331-M335 VanDerWaalsContact O-CB 3.31Å; M331-M335 WeakPolarHBondContact O-CB 3.07Å; M331-M335 WeakPolarHBondContact O-CG 3.28Å; M331-M335 PolarHBondContact O-N 2.88Å; M331-M335 HydrophobicContact SD-CG 4.13Å; M331-V370 HydrophobicContact SD-CG2 3.87Å; M331-F879 HydrophobicContact CG-CZ 4.26Å
332	C	77.1	Confident	72.8	Confident	41 Å²	41	65.9 Å²	65.9	28%	0.277	32%	0.32	S	S	.	.	H	α-helix	trans	-61.7	-44.9	176.4	-72.6	0	0	0	0	111.3	T328 E329 E330 M335 T336 L875 F879	T328-C332 WeakPolarHBondContact O-CB 3.01Å; T328-C332 PolarHBondContact O-N 3.15Å; T328-C332 PolarHBondContact O-SG 2.89Å; E329-C332 WeakPolarHBondContact O-CB 3.32Å; E329-C332 PolarHBondContact O-N 2.96Å; E330-C332 PolarHBondContact O-N 3.17Å; C332-M335 PolarHBondContact O-N 2.97Å; C332-T336 VanDerWaalsContact O-CB 3.27Å; C332-T336 WeakPolarHBondContact O-CB 3.35Å; C332-T336 PolarHBondContact O-N 3.06Å; C332-T336 PolarHBondContact O-OG1 2.92Å; C332-L875 HydrophobicContact CB-CD2 3.91Å; C332-F879 WeakPolarHBondContact SG-CE2 3.09Å
333	K	82.6	Confident	74.8	Confident	120 Å²	120	57.7 Å²	57.7	52%	0.522	29%	0.289	S	S	.	.	H	α-helix	trans	-60.5	-45.9	176.3	-73.1	171.6	-175.4	167.1	0	111.4	E329 E330 T336 L337	E329-K333 WeakPolarHBondContact O-CG 3.26Å; E329-K333 PolarHBondContact O-N 2.96Å; E329-K333 VanDerWaalsContact OE1-CE 3.28Å; E329-K333 WeakPolarHBondContact OE1-CE 3.42Å; E329-K333 IonicContact OE1-NZ 2.72Å; E329-K333 PolarHBondContact OE1-NZ 3.06Å; E330-K333 PolarHBondContact O-N 2.82Å; K333-T336 WeakPolarHBondContact O-CB 3.38Å; K333-T336 PolarHBondContact O-N 2.99Å; K333-L337 PolarHBondContact O-N 3.47Å
334	N	84.5	Confident	77.4	Confident	27 Å²	27	57.2 Å²	57.2	14%	0.144	29%	0.286	C	S	.	.	H	α-helix	trans	-70.1	-37.9	-179.4	-61	-12.5	0	0	0	112.3	E330 M331 L337 K368 V370	E330-N334 WeakPolarHBondContact O-CB 2.79Å; E330-N334 PolarHBondContact O-N 2.7Å; E330-N334 PolarHBondContact O-ND2 3.16Å; E330-N334 PolarHBondContact O-OD1 3.43Å; M331-N334 PolarHBondContact O-N 3.12Å; N334-L337 WeakPolarHBondContact O-CB 3.49Å; N334-L337 PolarHBondContact O-N 3.14Å; N334-K368 WeakPolarHBondContact CB-O 3.21Å; N334-K368 WeakPolarHBondContact OD1-CB 3.45Å; N334-K368 PolarHBondContact OD1-O 3.41Å; N334-V370 HydrophobicContact CB-CG2 3.66Å
335	M	87.3	Confident	79.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-70.2	-36.5	174.4	-75	-56.6	-58.8	0	0	111.8	M331 C332 L337 L338 F339 V370 Y373 L382 L875 W878	M331-M335 HydrophobicContact CG-CG 4.26Å; M331-M335 VanDerWaalsContact O-CB 3.31Å; M331-M335 WeakPolarHBondContact O-CB 3.07Å; M331-M335 WeakPolarHBondContact O-CG 3.28Å; M331-M335 PolarHBondContact O-N 2.88Å; M331-M335 HydrophobicContact SD-CG 4.13Å; C332-M335 PolarHBondContact O-N 2.97Å; M335-L337 PolarHBondContact O-N 2.89Å; M335-L338 HydrophobicContact CE-CD1 4.37Å; M335-L338 CarbonylContact O-C 3.57Å; M335-L338 WeakPolarHBondContact O-CA 3.38Å; M335-L338 WeakPolarHBondContact O-CB 3.32Å; M335-L338 PolarHBondContact O-N 2.91Å; M335-L338 HydrophobicContact SD-CD1 3.91Å; M335-F339 HydrophobicContact CE-CD2 4.43Å; M335-F339 HydrophobicContact CE-CE2 4.11Å; M335-F339 WeakPolarHBondContact O-CD2 3.19Å; M335-F339 PolarHBondContact O-N 3.45Å; M335-V370 HydrophobicContact SD-CB 4.45Å; M335-V370 HydrophobicContact SD-CG2 4.21Å; M335-Y373 HydrophobicContact CE-CD2 4.17Å; M335-Y373 HydrophobicContact CE-CG 4.3Å; M335-Y373 HydrophobicContact SD-CD2 3.5Å; M335-Y373 WeakPolarHBondContact SD-CD2 3.38Å; M335-Y373 HydrophobicContact SD-CE2 3.9Å; M335-Y373 HydrophobicContact SD-CG 4.18Å; M335-L382 HydrophobicContact CE-CD2 3.72Å; M335-L875 HydrophobicContact CB-CD1 3.59Å; M335-W878 HydrophobicContact CE-CH2 4.02Å; M335-W878 HydrophobicContact CE-CZ2 3.99Å; M335-W878 HydrophobicContact CE-CZ3 4.34Å; M335-W878 HydrophobicContact CG-CH2 4.41Å; M335-W878 HydrophobicContact CG-CZ3 4.3Å; M335-W878 HydrophobicContact SD-CH2 4.32Å
336	T	89.1	Confident	82	Confident	45 Å²	45	49 Å²	49	28%	0.276	24%	0.241	S	C	.	.	H	α-helix	trans	-55.7	-40.1	174.8	-62.8	0	0	0	0	111.1	C332 K333 L338 F339 N340 A871	C332-T336 VanDerWaalsContact O-CB 3.27Å; C332-T336 WeakPolarHBondContact O-CB 3.35Å; C332-T336 PolarHBondContact O-N 3.06Å; C332-T336 PolarHBondContact O-OG1 2.92Å; K333-T336 WeakPolarHBondContact O-CB 3.38Å; K333-T336 PolarHBondContact O-N 2.99Å; T336-L338 PolarHBondContact O-N 2.84Å; T336-F339 PolarHBondContact O-N 3.07Å; T336-N340 WeakPolarHBondContact O-CB 3.34Å; T336-N340 VanDerWaalsContact O-CG 3.23Å; T336-N340 PolarHBondContact O-N 3.09Å; T336-N340 PolarHBondContact O-ND2 2.98Å; T336-A871 HydrophobicContact CG2-CB 4.1Å
337	L	90.3	Very high	84.4	Confident	43 Å²	43	42.9 Å²	42.9	23%	0.225	21%	0.213	C	C	.	.	H	α-helix	trans	-59.7	-43.2	173.6	-76.1	162.8	0	0	0	112.5	K333 N334 M335 N340 A341 L367	K333-L337 PolarHBondContact O-N 3.47Å; N334-L337 WeakPolarHBondContact O-CB 3.49Å; N334-L337 PolarHBondContact O-N 3.14Å; M335-L337 PolarHBondContact O-N 2.89Å; L337-N340 PolarHBondContact O-N 3.48Å; L337-A341 WeakPolarHBondContact O-CB 3.47Å; L337-A341 PolarHBondContact O-N 3.33Å; L337-L367 HydrophobicContact CD1-CB 4.15Å; L337-L367 HydrophobicContact CD2-CD1 4.07Å
338	L	90.4	Very high	86.6	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-68.2	-38.3	176.6	-73.3	174.7	0	0	0	112.5	M335 T336 A341 A342 A359 I369 V370 L382	M335-L338 HydrophobicContact CE-CD1 4.37Å; M335-L338 CarbonylContact O-C 3.57Å; M335-L338 WeakPolarHBondContact O-CA 3.38Å; M335-L338 WeakPolarHBondContact O-CB 3.32Å; M335-L338 PolarHBondContact O-N 2.91Å; M335-L338 HydrophobicContact SD-CD1 3.91Å; T336-L338 PolarHBondContact O-N 2.84Å; L338-A341 PolarHBondContact O-N 3.49Å; L338-A342 VanDerWaalsContact O-CB 3.31Å; L338-A342 WeakPolarHBondContact O-CB 3.12Å; L338-A342 PolarHBondContact O-N 3.45Å; L338-A359 HydrophobicContact CD2-CB 4.26Å; L338-I369 HydrophobicContact CD1-CG2 4.26Å; L338-I369 HydrophobicContact CD2-CG2 3.64Å; L338-I369 HydrophobicContact CG-CG2 4.03Å; L338-V370 HydrophobicContact CD1-CB 4.23Å; L338-L382 HydrophobicContact CB-CD1 4.05Å
339	F	92.6	Very high	87.9	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.2	-43.2	172.7	-89.8	-86.7	0	0	0	111.4	M335 T336 A341 A342 Y343 L382 H385 I386 A871 A874 L875 W878	M335-F339 HydrophobicContact CE-CD2 4.43Å; M335-F339 HydrophobicContact CE-CE2 4.11Å; M335-F339 WeakPolarHBondContact O-CD2 3.19Å; M335-F339 PolarHBondContact O-N 3.45Å; T336-F339 PolarHBondContact O-N 3.07Å; F339-A341 PolarHBondContact O-N 2.96Å; F339-A342 PolarHBondContact O-N 3.3Å; F339-Y343 WeakPolarHBondContact O-CB 3.32Å; F339-Y343 PolarHBondContact O-N 3.23Å; F339-L382 HydrophobicContact CD2-CD2 3.94Å; F339-L382 HydrophobicContact CE1-CB 4.38Å; F339-L382 HydrophobicContact CE1-CD2 4.09Å; F339-L382 HydrophobicContact CE2-CD2 3.45Å; F339-L382 VanDerWaalsContact CE2-CD2 3.45Å; F339-L382 HydrophobicContact CG-CD2 4.45Å; F339-L382 HydrophobicContact CZ-CD2 3.53Å; F339-H385 HydrophobicContact CE1-CB 4.13Å; F339-H385 HydrophobicContact CZ-CB 4.43Å; F339-I386 HydrophobicContact CD1-CD1 3.84Å; F339-I386 HydrophobicContact CD1-CG1 3.57Å; F339-I386 HydrophobicContact CE1-CG1 3.97Å; F339-A871 HydrophobicContact CB-CB 3.74Å; F339-A871 HydrophobicContact CG-CB 4.37Å; F339-A874 HydrophobicContact CD1-CB 3.93Å; F339-A874 HydrophobicContact CE1-CB 3.69Å; F339-L875 HydrophobicContact CD2-CD1 3.83Å; F339-L875 HydrophobicContact CE2-CB 4.44Å; F339-L875 HydrophobicContact CE2-CD1 3.57Å; F339-W878 HydrophobicContact CE2-CB 4.43Å; F339-W878 HydrophobicContact CE2-CG 4.45Å; F339-W878 HydrophobicContact CZ-CB 3.85Å; F339-W878 HydrophobicContact CZ-CG 4.11Å
340	N	93.4	Very high	89	Confident	58 Å²	58	39.1 Å²	39.1	31%	0.31	19%	0.19	S	C	.	.	H	α-helix	trans	-64.5	-39.5	176	-69.7	-17.2	0	0	0	112	T336 L337 Y343 H344 F869	T336-N340 WeakPolarHBondContact O-CB 3.34Å; T336-N340 VanDerWaalsContact O-CG 3.23Å; T336-N340 PolarHBondContact O-N 3.09Å; T336-N340 PolarHBondContact O-ND2 2.98Å; L337-N340 PolarHBondContact O-N 3.48Å; N340-Y343 WeakPolarHBondContact O-CB 3.41Å; N340-H344 WeakPolarHBondContact O-CB 3.47Å; N340-H344 PolarHBondContact O-N 3.31Å; N340-F869 WeakPolarHBondContact OD1-CD1 3.32Å; N340-F869 WeakPolarHBondContact OD1-CE1 3.41Å
341	A	93.8	Very high	89.8	Confident	6 Å²	6	35.9 Å²	35.9	5%	0.05	18%	0.177	C	C	.	.	H	α-helix	trans	-64.8	-47.7	174.9	0	0	0	0	0	111.6	L337 L338 F339 Y343 H344 L345 L355 L358 L362	L337-A341 WeakPolarHBondContact O-CB 3.47Å; L337-A341 PolarHBondContact O-N 3.33Å; L338-A341 PolarHBondContact O-N 3.49Å; F339-A341 PolarHBondContact O-N 2.96Å; A341-Y343 VanDerWaalsContact C-N 3.33Å; A341-Y343 PolarHBondContact O-N 3.26Å; A341-H344 PolarHBondContact O-N 3.29Å; A341-L345 WeakPolarHBondContact O-CG 3.39Å; A341-L345 PolarHBondContact O-N 2.99Å; A341-L345 VanDerWaalsContact O-N 3.09Å; A341-L355 HydrophobicContact CB-CD1 3.99Å; A341-L358 HydrophobicContact CB-CD2 3.83Å; A341-L358 HydrophobicContact CB-CG 4.31Å; A341-L362 HydrophobicContact CB-CD1 4.05Å
342	A	95	Very high	90.5	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.6	-40.1	176.5	0	0	0	0	0	111.8	L338 F339 L345 A346 L382 V383 I386	L338-A342 VanDerWaalsContact O-CB 3.31Å; L338-A342 WeakPolarHBondContact O-CB 3.12Å; L338-A342 PolarHBondContact O-N 3.45Å; F339-A342 PolarHBondContact O-N 3.3Å; A342-L345 PolarHBondContact O-N 3.2Å; A342-A346 WeakPolarHBondContact O-CB 3.26Å; A342-A346 PolarHBondContact O-N 3.02Å; A342-L382 HydrophobicContact CB-CB 3.93Å; A342-L382 HydrophobicContact CB-CD1 4.23Å; A342-V383 HydrophobicContact CB-CG2 4.1Å; A342-I386 HydrophobicContact CB-CD1 4.42Å
343	Y	96.3	Very high	91.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57.6	-51.6	174.4	-178.8	-99.8	0	0	0	111.7	F339 N340 A341 L345 A346 L347 I386 V859 G863 P864 V866 F869	F339-Y343 WeakPolarHBondContact O-CB 3.32Å; F339-Y343 PolarHBondContact O-N 3.23Å; N340-Y343 WeakPolarHBondContact O-CB 3.41Å; A341-Y343 VanDerWaalsContact C-N 3.33Å; A341-Y343 PolarHBondContact O-N 3.26Å; Y343-L345 VanDerWaalsContact C-N 3.31Å; Y343-L345 PolarHBondContact O-N 2.98Å; Y343-A346 PolarHBondContact O-N 3.4Å; Y343-L347 HydrophobicContact CE1-CD2 4.09Å; Y343-L347 WeakPolarHBondContact O-CB 3.5Å; Y343-L347 PolarHBondContact O-N 2.79Å; Y343-I386 HydrophobicContact CD2-CD1 4.47Å; Y343-I386 HydrophobicContact CD2-CG2 3.77Å; Y343-I386 HydrophobicContact CE2-CG2 4.27Å; Y343-V859 HydrophobicContact CD2-CG1 3.72Å; Y343-V859 HydrophobicContact CE2-CG1 3.55Å; Y343-G863 WeakPolarHBondContact OH-CA 3.27Å; Y343-P864 VanDerWaalsContact OH-CD 3.22Å; Y343-P864 WeakPolarHBondContact OH-CD 3.48Å; Y343-P864 PolarHBondContact OH-O 3.35Å; Y343-V866 HydrophobicContact CD1-CG2 4.33Å; Y343-V866 HydrophobicContact CE1-CG2 4.14Å; Y343-F869 HydrophobicContact CD1-CB 3.91Å; Y343-F869 AromaticContact CD1-CD1 3.74Å; Y343-F869 HydrophobicContact CD1-CD1 3.74Å; Y343-F869 HydrophobicContact CD1-CD2 4.21Å; Y343-F869 HydrophobicContact CD1-CE1 4.34Å; Y343-F869 AromaticContact CD1-CG 3.67Å; Y343-F869 HydrophobicContact CD1-CG 3.67Å; Y343-F869 AromaticContact CD2-CD1 3.94Å; Y343-F869 HydrophobicContact CD2-CD1 3.94Å; Y343-F869 AromaticContact CD2-CD2 3.47Å; Y343-F869 HydrophobicContact CD2-CD2 3.47Å; Y343-F869 VanDerWaalsContact CD2-CD2 3.47Å; Y343-F869 AromaticContact CD2-CE1 3.86Å; Y343-F869 HydrophobicContact CD2-CE1 3.86Å; Y343-F869 AromaticContact CD2-CE2 3.4Å; Y343-F869 HydrophobicContact CD2-CE2 3.4Å; Y343-F869 VanDerWaalsContact CD2-CE2 3.4Å; Y343-F869 AromaticContact CD2-CG 3.75Å; Y343-F869 HydrophobicContact CD2-CG 3.75Å; Y343-F869 AromaticContact CD2-CZ 3.6Å; Y343-F869 HydrophobicContact CD2-CZ 3.6Å; Y343-F869 HydrophobicContact CE1-CB 3.66Å; Y343-F869 HydrophobicContact CE1-CD1 4.32Å; Y343-F869 HydrophobicContact CE1-CD2 4.12Å; Y343-F869 AromaticContact CE1-CG 3.76Å; Y343-F869 HydrophobicContact CE1-CG 3.76Å; Y343-F869 HydrophobicContact CE2-CB 4.45Å; Y343-F869 HydrophobicContact CE2-CD1 4.48Å; Y343-F869 AromaticContact CE2-CD2 3.35Å; Y343-F869 HydrophobicContact CE2-CD2 3.35Å; Y343-F869 AromaticContact CE2-CE2 3.62Å; Y343-F869 HydrophobicContact CE2-CE2 3.62Å; Y343-F869 AromaticContact CE2-CG 3.84Å; Y343-F869 HydrophobicContact CE2-CG 3.84Å; Y343-F869 HydrophobicContact CE2-CZ 4.29Å; Y343-F869 HydrophobicContact CG-CB 4.41Å; Y343-F869 AromaticContact CG-CD1 3.54Å; Y343-F869 HydrophobicContact CG-CD1 3.54Å; Y343-F869 AromaticContact CG-CD2 3.91Å; Y343-F869 HydrophobicContact CG-CD2 3.91Å; Y343-F869 AromaticContact CG-CE1 3.66Å; Y343-F869 HydrophobicContact CG-CE1 3.66Å; Y343-F869 HydrophobicContact CG-CE2 4.04Å; Y343-F869 AromaticContact CG-CG 3.67Å; Y343-F869 HydrophobicContact CG-CG 3.67Å; Y343-F869 AromaticContact CG-CZ 3.92Å; Y343-F869 HydrophobicContact CG-CZ 3.92Å; Y343-F869 AromaticContact CZ-CD2 3.7Å; Y343-F869 AromaticContact CZ-CG 3.85Å
344	H	94.9	Very high	91.5	Very high	78 Å²	78	30.6 Å²	30.6	36%	0.361	16%	0.158	S	C	.	.	H	α-helix	trans	-58.8	-42.8	178.2	172.7	-88.2	0	0	0	111.9	N340 A341 E348	N340-H344 WeakPolarHBondContact O-CB 3.47Å; N340-H344 PolarHBondContact O-N 3.31Å; A341-H344 PolarHBondContact O-N 3.29Å; H344-E348 WeakPolarHBondContact O-CB 3.39Å; H344-E348 WeakPolarHBondContact O-CG 3.49Å; H344-E348 PolarHBondContact O-N 3.38Å; H344-E348 VanDerWaalsContact O-N 3.1Å
345	L	93.7	Very high	91.9	Very high	10 Å²	10	29.3 Å²	29.3	5%	0.052	15%	0.151	C	C	.	.	H	α-helix	trans	-62.8	-44.3	176.4	-67.8	176.1	0	0	0	112.2	A341 A342 Y343 G349 R350 D354 L355 L358	A341-L345 WeakPolarHBondContact O-CG 3.39Å; A341-L345 PolarHBondContact O-N 2.99Å; A341-L345 VanDerWaalsContact O-N 3.09Å; A342-L345 PolarHBondContact O-N 3.2Å; Y343-L345 VanDerWaalsContact C-N 3.31Å; Y343-L345 PolarHBondContact O-N 2.98Å; L345-G349 PolarHBondContact O-N 3.3Å; L345-G349 VanDerWaalsContact O-N 3.1Å; L345-R350 HydrophobicContact CB-CB 4.31Å; L345-R350 HydrophobicContact CD2-CB 3.81Å; L345-R350 HydrophobicContact CD2-CG 4.22Å; L345-R350 PolarHBondContact O-N 3.02Å; L345-D354 HydrophobicContact CD1-CB 4.36Å; L345-D354 HydrophobicContact CD2-CB 3.79Å; L345-L355 HydrophobicContact CD1-CB 3.86Å; L345-L355 HydrophobicContact CD1-CD1 4.08Å; L345-L358 HydrophobicContact CD1-CD2 4.25Å; L345-L358 HydrophobicContact CD2-CD2 4.08Å; L345-L358 HydrophobicContact CG-CD2 3.97Å
346	A	94.1	Very high	92.1	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-65.8	-43.4	178.8	0	0	0	0	0	112.1	A342 Y343 E348 G349 V383 L856 V859	A342-A346 WeakPolarHBondContact O-CB 3.26Å; A342-A346 PolarHBondContact O-N 3.02Å; Y343-A346 PolarHBondContact O-N 3.4Å; A346-E348 VanDerWaalsContact C-N 3.34Å; A346-E348 PolarHBondContact O-N 3.04Å; A346-G349 PolarHBondContact O-N 2.9Å; A346-V383 HydrophobicContact CB-CG1 3.97Å; A346-V383 HydrophobicContact CB-CG2 3.97Å; A346-L856 HydrophobicContact CB-CD2 3.76Å; A346-V859 HydrophobicContact CB-CB 3.96Å; A346-V859 HydrophobicContact CB-CG1 3.68Å; A346-V859 HydrophobicContact CB-CG2 4.35Å
347	L	93.7	Very high	92.3	Very high	29 Å²	29	36.7 Å²	36.7	15%	0.152	18%	0.184	C	C	.	.	H	α-helix	trans	-59.3	-43.9	177.6	-172.3	73	0	0	0	111.9	Y343 G349 V866	Y343-L347 HydrophobicContact CE1-CD2 4.09Å; Y343-L347 WeakPolarHBondContact O-CB 3.5Å; Y343-L347 PolarHBondContact O-N 2.79Å; L347-G349 PolarHBondContact O-N 3.23Å; L347-V866 HydrophobicContact CD2-CG2 3.44Å; L347-V866 VanDerWaalsContact CD2-CG2 3.44Å
348	E	90.8	Very high	92.4	Very high	89 Å²	89	36.6 Å²	36.6	42%	0.416	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-2.7	177.2	-68.2	-61.6	147.9	0	0	113.3	H344 A346 R350 R839	H344-E348 WeakPolarHBondContact O-CB 3.39Å; H344-E348 WeakPolarHBondContact O-CG 3.49Å; H344-E348 PolarHBondContact O-N 3.38Å; H344-E348 VanDerWaalsContact O-N 3.1Å; A346-E348 VanDerWaalsContact C-N 3.34Å; A346-E348 PolarHBondContact O-N 3.04Å; E348-R350 VanDerWaalsContact C-N 3.3Å; E348-R350 HydrophobicContact CB-CG 3.75Å; E348-R350 PolarHBondContact O-N 3.03Å; E348-R839 WeakPolarHBondContact O-CD 3.17Å
349	G	89.8	Confident	92.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	37.3	-177.5	0	0	0	0	0	112.9	L345 A346 L347 N843	L345-G349 PolarHBondContact O-N 3.3Å; L345-G349 VanDerWaalsContact O-N 3.1Å; A346-G349 PolarHBondContact O-N 2.9Å; L347-G349 PolarHBondContact O-N 3.23Å; G349-N843 WeakPolarHBondContact O-CB 3.36Å; G349-N843 PolarHBondContact O-ND2 2.97Å
350	R	90.7	Very high	92.3	Very high	124 Å²	124	41.8 Å²	41.8	47%	0.468	21%	0.208	S	C	.	.			trans	-82.6	162.3	179.2	-61.3	-69	-71.1	-117	-4.6	111.1	L345 E348 D354	L345-R350 HydrophobicContact CB-CB 4.31Å; L345-R350 HydrophobicContact CD2-CB 3.81Å; L345-R350 HydrophobicContact CD2-CG 4.22Å; L345-R350 PolarHBondContact O-N 3.02Å; E348-R350 VanDerWaalsContact C-N 3.3Å; E348-R350 HydrophobicContact CB-CG 3.75Å; E348-R350 PolarHBondContact O-N 3.03Å; R350-D354 IonicContact CZ-OD2 3.32Å; R350-D354 IonicContact NE-OD2 3.37Å; R350-D354 PolarHBondContact NE-OD2 2.75Å; R350-D354 VanDerWaalsContact NE-OD2 3.09Å; R350-D354 IonicContact NH2-OD2 3.25Å; R350-D354 PolarHBondContact NH2-OD2 2.59Å; R350-D354 VanDerWaalsContact NH2-OD2 3.14Å
351	A	90.1	Very high	92.2	Very high	15 Å²	15	43.7 Å²	43.7	12%	0.124	22%	0.217	C	C	.	.			trans	-69.8	143.5	177.8	0	0	0	0	0	111.2	S353 D354 N844	A351-S353 PolarHBondContact O-N 3.4Å; A351-S353 VanDerWaalsContact O-N 3.12Å; A351-D354 WeakPolarHBondContact O-CB 3.25Å; A351-D354 PolarHBondContact O-N 3.04Å; A351-N844 WeakPolarHBondContact CA-OD1 3.44Å
352	F	90.6	Very high	92	Very high	8 Å²	8	45.2 Å²	45.2	4%	0.035	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-59.1	-25.7	178.1	-62.9	-64.6	0	0	0	113.3	D354 L355 E376 C379 K380 V383 L848 L856	F352-D354 PolarHBondContact O-N 3.3Å; F352-L355 PolarHBondContact O-N 3.17Å; F352-E376 HydrophobicContact CB-CG 3.51Å; F352-C379 HydrophobicContact CB-CB 4.17Å; F352-C379 HydrophobicContact CD1-CB 4.25Å; F352-K380 HydrophobicContact CB-CG 4.47Å; F352-K380 HydrophobicContact CD1-CG 4.05Å; F352-K380 HydrophobicContact CD2-CD 4.33Å; F352-K380 HydrophobicContact CD2-CG 3.72Å; F352-K380 HydrophobicContact CE1-CG 4.16Å; F352-K380 HydrophobicContact CE2-CG 3.83Å; F352-K380 HydrophobicContact CG-CG 3.83Å; F352-K380 HydrophobicContact CZ-CG 4.05Å; F352-V383 HydrophobicContact CE1-CB 4.18Å; F352-V383 HydrophobicContact CE1-CG1 4.33Å; F352-V383 HydrophobicContact CE1-CG2 4.03Å; F352-L848 HydrophobicContact CD2-CD2 4.38Å; F352-L848 HydrophobicContact CE2-CD2 3.78Å; F352-L856 HydrophobicContact CE1-CD1 4.47Å; F352-L856 HydrophobicContact CE1-CD2 3.86Å; F352-L856 HydrophobicContact CE1-CG 4.34Å; F352-L856 HydrophobicContact CE2-CD1 4.16Å; F352-L856 HydrophobicContact CZ-CD1 3.72Å; F352-L856 HydrophobicContact CZ-CD2 3.9Å; F352-L856 HydrophobicContact CZ-CG 3.88Å
353	S	89.8	Confident	91.8	Very high	66 Å²	66	48.7 Å²	48.7	46%	0.462	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-62.2	-23.5	175	54.7	0	0	0	0	113.6	A351 L355 P357	A351-S353 PolarHBondContact O-N 3.4Å; A351-S353 VanDerWaalsContact O-N 3.12Å; S353-L355 PolarHBondContact O-N 3.27Å; S353-P357 WeakPolarHBondContact O-CD 3.46Å
354	D	91.3	Very high	91.6	Very high	43 Å²	43	57.2 Å²	57.2	23%	0.23	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-72.3	-9.5	-178.7	-70	4.5	0	0	0	112.3	L345 R350 A351 F352 R356 P357 L358	L345-D354 HydrophobicContact CD1-CB 4.36Å; L345-D354 HydrophobicContact CD2-CB 3.79Å; R350-D354 IonicContact CZ-OD2 3.32Å; R350-D354 IonicContact NE-OD2 3.37Å; R350-D354 PolarHBondContact NE-OD2 2.75Å; R350-D354 VanDerWaalsContact NE-OD2 3.09Å; R350-D354 IonicContact NH2-OD2 3.25Å; R350-D354 PolarHBondContact NH2-OD2 2.59Å; R350-D354 VanDerWaalsContact NH2-OD2 3.14Å; A351-D354 WeakPolarHBondContact O-CB 3.25Å; A351-D354 PolarHBondContact O-N 3.04Å; F352-D354 PolarHBondContact O-N 3.3Å; D354-R356 PolarHBondContact O-N 3.38Å; D354-P357 WeakPolarHBondContact O-CD 3.47Å; D354-L358 WeakPolarHBondContact O-CB 3.16Å; D354-L358 PolarHBondContact O-N 2.84Å; D354-L358 VanDerWaalsContact O-N 3.17Å
355	L	92.3	Very high	91.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.3	-41.8	178	-175.9	67.2	0	0	0	112.5	A341 L345 F352 S353 L358 A359 C379	A341-L355 HydrophobicContact CB-CD1 3.99Å; L345-L355 HydrophobicContact CD1-CB 3.86Å; L345-L355 HydrophobicContact CD1-CD1 4.08Å; F352-L355 PolarHBondContact O-N 3.17Å; S353-L355 PolarHBondContact O-N 3.27Å; L355-L358 PolarHBondContact O-N 3.29Å; L355-A359 VanDerWaalsContact O-CB 3.24Å; L355-A359 WeakPolarHBondContact O-CB 3.47Å; L355-A359 PolarHBondContact O-N 2.97Å; L355-C379 HydrophobicContact CB-CB 4.05Å; L355-C379 HydrophobicContact CD2-CB 3.48Å; L355-C379 VanDerWaalsContact CD2-CB 3.48Å; L355-C379 HydrophobicContact CG-CB 4.34Å
356	R	92.1	Very high	91.2	Very high	122 Å²	122	65.6 Å²	65.6	46%	0.46	32%	0.324	S	S	.	.	H	α-helix	trans	-64.4	-53.2	-178	176.6	-180	-64.7	-177.3	-3	112	D354 L358 A359 E360 N375	D354-R356 PolarHBondContact O-N 3.38Å; R356-L358 VanDerWaalsContact C-N 3.26Å; R356-L358 PolarHBondContact O-N 3.25Å; R356-A359 PolarHBondContact O-N 3.33Å; R356-E360 WeakPolarHBondContact CG-OE1 3.4Å; R356-E360 WeakPolarHBondContact O-CG 3.42Å; R356-E360 PolarHBondContact O-N 3.12Å; R356-N375 PolarHBondContact NH2-OD1 3.45Å
357	P	92.6	Very high	90.9	Very high	78 Å²	78	68.9 Å²	68.9	51%	0.506	34%	0.341	S	S	.	.	H	α-helix	trans	-56.5	-39.3	174.6	-25.5	33.3	0	0	0	113.3	S353 D354 E360 L361	S353-P357 WeakPolarHBondContact O-CD 3.46Å; D354-P357 WeakPolarHBondContact O-CD 3.47Å; P357-E360 PolarHBondContact O-N 2.88Å; P357-L361 PolarHBondContact O-N 3.35Å
358	L	92	Very high	90.4	Very high	42 Å²	42	73.5 Å²	73.5	22%	0.22	36%	0.36	C	S	.	.	H	α-helix	trans	-66.3	-43.5	178.4	-178.3	58.5	0	0	0	111.7	A341 L345 D354 L355 R356 L361 L362	A341-L358 HydrophobicContact CB-CD2 3.83Å; A341-L358 HydrophobicContact CB-CG 4.31Å; L345-L358 HydrophobicContact CD1-CD2 4.25Å; L345-L358 HydrophobicContact CD2-CD2 4.08Å; L345-L358 HydrophobicContact CG-CD2 3.97Å; D354-L358 WeakPolarHBondContact O-CB 3.16Å; D354-L358 PolarHBondContact O-N 2.84Å; D354-L358 VanDerWaalsContact O-N 3.17Å; L355-L358 PolarHBondContact O-N 3.29Å; R356-L358 VanDerWaalsContact C-N 3.26Å; R356-L358 PolarHBondContact O-N 3.25Å; L358-L361 WeakPolarHBondContact O-CB 3.3Å; L358-L361 PolarHBondContact O-N 3.05Å; L358-L362 WeakPolarHBondContact O-CG 3.49Å; L358-L362 PolarHBondContact O-N 3Å
359	A	89.6	Confident	89.9	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-69.1	-34.6	177.6	0	0	0	0	0	111.9	L338 L355 R356 L361 L362 K363 I369 M374	L338-A359 HydrophobicContact CD2-CB 4.26Å; L355-A359 VanDerWaalsContact O-CB 3.24Å; L355-A359 WeakPolarHBondContact O-CB 3.47Å; L355-A359 PolarHBondContact O-N 2.97Å; R356-A359 PolarHBondContact O-N 3.33Å; A359-L361 VanDerWaalsContact C-N 3.34Å; A359-L361 PolarHBondContact O-N 3.47Å; A359-L362 PolarHBondContact O-N 2.95Å; A359-K363 WeakPolarHBondContact O-CG 3.33Å; A359-K363 PolarHBondContact O-N 2.82Å; A359-I369 HydrophobicContact CB-CD1 4.11Å; A359-I369 HydrophobicContact CB-CG2 4.33Å; A359-I369 WeakPolarHBondContact O-CD1 3.45Å; A359-M374 HydrophobicContact CB-CE 3.27Å; A359-M374 HydrophobicContact CB-CG 4.13Å; A359-M374 HydrophobicContact CB-SD 4.29Å
360	E	90.8	Very high	89.3	Confident	109 Å²	109	71.1 Å²	71.1	51%	0.509	35%	0.35	S	S	.	.	H	α-helix	trans	-62.3	-39.5	170.7	-73.2	170.2	-173.6	0	0	112.4	R356 P357 K363 K364 M374	R356-E360 WeakPolarHBondContact CG-OE1 3.4Å; R356-E360 WeakPolarHBondContact O-CG 3.42Å; R356-E360 PolarHBondContact O-N 3.12Å; P357-E360 PolarHBondContact O-N 2.88Å; E360-K363 WeakPolarHBondContact O-CB 3.09Å; E360-K363 PolarHBondContact O-N 3.27Å; E360-K364 PolarHBondContact O-N 2.88Å; E360-M374 HydrophobicContact CG-CE 4.05Å
361	L	92.3	Very high	88.6	Confident	97 Å²	97	70 Å²	70	51%	0.508	35%	0.354	S	S	.	.	H	α-helix	trans	-62.5	-45.8	173.1	176.4	64.5	0	0	0	111.6	P357 L358 A359 K363 K364 C365	P357-L361 PolarHBondContact O-N 3.35Å; L358-L361 WeakPolarHBondContact O-CB 3.3Å; L358-L361 PolarHBondContact O-N 3.05Å; A359-L361 VanDerWaalsContact C-N 3.34Å; A359-L361 PolarHBondContact O-N 3.47Å; L361-K363 VanDerWaalsContact C-N 3.29Å; L361-K363 PolarHBondContact O-N 2.86Å; L361-K364 WeakPolarHBondContact O-CA 3.35Å; L361-K364 WeakPolarHBondContact O-CB 3.42Å; L361-K364 PolarHBondContact O-N 3.41Å; L361-C365 PolarHBondContact O-N 3.31Å; L361-C365 PolarHBondContact O-SG 3.33Å
362	L	90.6	Very high	88	Confident	38 Å²	38	76.1 Å²	76.1	20%	0.199	38%	0.38	C	S	.	.	H	α-helix	trans	-61.5	-36.9	177.6	-70.5	173.1	0	0	0	111.7	A341 L358 A359 K364 C365 L367 I369	A341-L362 HydrophobicContact CB-CD1 4.05Å; L358-L362 WeakPolarHBondContact O-CG 3.49Å; L358-L362 PolarHBondContact O-N 3Å; A359-L362 PolarHBondContact O-N 2.95Å; L362-K364 VanDerWaalsContact C-N 3.35Å; L362-C365 CarbonylContact O-C 3.53Å; L362-C365 WeakPolarHBondContact O-CB 3.31Å; L362-C365 PolarHBondContact O-N 3.03Å; L362-L367 HydrophobicContact CB-CD1 4.21Å; L362-L367 HydrophobicContact CD2-CD1 3.65Å; L362-L367 HydrophobicContact CG-CD1 4.49Å; L362-L367 WeakPolarHBondContact O-CB 3.47Å; L362-L367 PolarHBondContact O-N 2.88Å; L362-L367 VanDerWaalsContact O-N 3.16Å; L362-I369 HydrophobicContact CB-CD1 3.22Å; L362-I369 HydrophobicContact CB-CG1 4.4Å; L362-I369 HydrophobicContact CD1-CD1 4.08Å; L362-I369 HydrophobicContact CG-CD1 4.29Å
363	K	89.2	Confident	87.5	Confident	74 Å²	74	77.8 Å²	77.8	32%	0.322	39%	0.386	S	S	.	.	H	α-helix	trans	-63.3	-40	172	-73.1	177.5	-178.8	-179.5	0	112.2	A359 E360 L361 C365 E366 I369 D371 M374	A359-K363 WeakPolarHBondContact O-CG 3.33Å; A359-K363 PolarHBondContact O-N 2.82Å; E360-K363 WeakPolarHBondContact O-CB 3.09Å; E360-K363 PolarHBondContact O-N 3.27Å; L361-K363 VanDerWaalsContact C-N 3.29Å; L361-K363 PolarHBondContact O-N 2.86Å; K363-C365 PolarHBondContact O-N 3.13Å; K363-E366 WeakPolarHBondContact O-CA 3.21Å; K363-E366 PolarHBondContact O-N 3.18Å; K363-I369 HydrophobicContact CG-CB 4.07Å; K363-I369 HydrophobicContact CG-CD1 3.87Å; K363-I369 HydrophobicContact CG-CG1 4.32Å; K363-D371 WeakPolarHBondContact CE-OD1 3.09Å; K363-D371 IonicContact NZ-OD1 2.57Å; K363-D371 PolarHBondContact NZ-OD1 3.29Å; K363-D371 IonicContact NZ-OD2 3.38Å; K363-D371 PolarHBondContact NZ-OD2 3.26Å; K363-M374 PolarHBondContact NZ-SD 3Å
364	K	91.8	Very high	87.1	Confident	178 Å²	178	75.2 Å²	75.2	77%	0.774	37%	0.367	S	S	*	.	H	α-helix	trans	-63.2	-30	175.4	-175.5	-179.6	176.8	-177.6	0	111.8	E360 L361 L362 E366	E360-K364 PolarHBondContact O-N 2.88Å; L361-K364 WeakPolarHBondContact O-CA 3.35Å; L361-K364 WeakPolarHBondContact O-CB 3.42Å; L361-K364 PolarHBondContact O-N 3.41Å; L362-K364 VanDerWaalsContact C-N 3.35Å; K364-E366 PolarHBondContact O-N 3.38Å
365	C	92.5	Very high	86.9	Confident	81 Å²	81	76.5 Å²	76.5	55%	0.547	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	18.5	171.1	-61.7	0	0	0	0	113.5	L361 L362 K363 L367	L361-C365 PolarHBondContact O-N 3.31Å; L361-C365 PolarHBondContact O-SG 3.33Å; L362-C365 CarbonylContact O-C 3.53Å; L362-C365 WeakPolarHBondContact O-CB 3.31Å; L362-C365 PolarHBondContact O-N 3.03Å; K363-C365 PolarHBondContact O-N 3.13Å; C365-L367 PolarHBondContact O-N 3.45Å
366	E	88.8	Confident	86.6	Confident	184 Å²	184	80.2 Å²	80.2	86%	0.86	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	20	177.5	-53	-177.5	170.6	0	0	114.8	K363 K364	K363-E366 WeakPolarHBondContact O-CA 3.21Å; K363-E366 PolarHBondContact O-N 3.18Å; K364-E366 PolarHBondContact O-N 3.38Å
367	L	87.8	Confident	86.4	Confident	69 Å²	69	76.2 Å²	76.2	36%	0.361	39%	0.388	S	S	.	.			trans	-84.9	136.4	174.5	-59.5	169.7	0	0	0	111	L337 L362 C365 I369	L337-L367 HydrophobicContact CD1-CB 4.15Å; L337-L367 HydrophobicContact CD2-CD1 4.07Å; L362-L367 HydrophobicContact CB-CD1 4.21Å; L362-L367 HydrophobicContact CD2-CD1 3.65Å; L362-L367 HydrophobicContact CG-CD1 4.49Å; L362-L367 WeakPolarHBondContact O-CB 3.47Å; L362-L367 PolarHBondContact O-N 2.88Å; L362-L367 VanDerWaalsContact O-N 3.16Å; C365-L367 PolarHBondContact O-N 3.45Å; L367-I369 PolarHBondContact O-N 3.5Å
368	K	83.2	Confident	86	Confident	127 Å²	127	74 Å²	74	55%	0.552	37%	0.372	S	S	*	.			trans	-76.2	108.8	178.5	-70.3	-179.4	174.1	-178.9	0	110.8	E330 N334	E330-K368 IonicContact OE1-NZ 2.79Å; E330-K368 PolarHBondContact OE1-NZ 3.29Å; N334-K368 WeakPolarHBondContact CB-O 3.21Å; N334-K368 WeakPolarHBondContact OD1-CB 3.45Å; N334-K368 PolarHBondContact OD1-O 3.41Å
369	I	80.4	Confident	86	Confident	19 Å²	19	72 Å²	72	10%	0.097	36%	0.361	C	S	.	.			trans	-114.6	147.1	179	-63.4	172.1	0	0	0	110.7	L338 A359 L362 K363 L367 M374	L338-I369 HydrophobicContact CD1-CG2 4.26Å; L338-I369 HydrophobicContact CD2-CG2 3.64Å; L338-I369 HydrophobicContact CG-CG2 4.03Å; A359-I369 HydrophobicContact CB-CD1 4.11Å; A359-I369 HydrophobicContact CB-CG2 4.33Å; A359-I369 WeakPolarHBondContact O-CD1 3.45Å; L362-I369 HydrophobicContact CB-CD1 3.22Å; L362-I369 HydrophobicContact CB-CG1 4.4Å; L362-I369 HydrophobicContact CD1-CD1 4.08Å; L362-I369 HydrophobicContact CG-CD1 4.29Å; K363-I369 HydrophobicContact CG-CB 4.07Å; K363-I369 HydrophobicContact CG-CD1 3.87Å; K363-I369 HydrophobicContact CG-CG1 4.32Å; L367-I369 PolarHBondContact O-N 3.5Å; I369-M374 HydrophobicContact CG2-CG 4.37Å; I369-M374 HydrophobicContact CG2-SD 4.27Å
370	V	77.4	Confident	86.1	Confident	19 Å²	19	74.8 Å²	74.8	12%	0.115	37%	0.373	C	S	.	.			trans	-87	110	176.6	-169.2	0	0	0	0	110.4	M331 N334 M335 L338 Q372 Y373	M331-V370 HydrophobicContact SD-CG2 3.87Å; N334-V370 HydrophobicContact CB-CG2 3.66Å; M335-V370 HydrophobicContact SD-CB 4.45Å; M335-V370 HydrophobicContact SD-CG2 4.21Å; L338-V370 HydrophobicContact CD1-CB 4.23Å; V370-Q372 HydrophobicContact CG1-CB 4.25Å; V370-Q372 PolarHBondContact O-N 3.5Å; V370-Q372 VanDerWaalsContact O-N 3.12Å; V370-Y373 HydrophobicContact CB-CD2 4.02Å; V370-Y373 HydrophobicContact CG1-CD2 3.6Å; V370-Y373 HydrophobicContact CG1-CE2 3.88Å; V370-Y373 PolarHBondContact O-N 3.3Å
371	D	76.4	Confident	86.1	Confident	102 Å²	102	72.7 Å²	72.7	55%	0.545	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-60.5	-26	-175.4	-69.1	6.4	0	0	0	114.2	K363 Y373	K363-D371 WeakPolarHBondContact CE-OD1 3.09Å; K363-D371 IonicContact NZ-OD1 2.57Å; K363-D371 PolarHBondContact NZ-OD1 3.29Å; K363-D371 IonicContact NZ-OD2 3.38Å; K363-D371 PolarHBondContact NZ-OD2 3.26Å; D371-Y373 VanDerWaalsContact C-N 3.26Å; D371-Y373 PolarHBondContact O-N 3.22Å
372	Q	77.3	Confident	86	Confident	143 Å²	143	68.1 Å²	68.1	67%	0.668	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-69.9	-20.2	-175.4	-64.2	174.9	-1.9	0	0	113.5	V370	V370-Q372 HydrophobicContact CG1-CB 4.25Å; V370-Q372 PolarHBondContact O-N 3.5Å; V370-Q372 VanDerWaalsContact O-N 3.12Å
373	Y	79	Confident	86.3	Confident	43 Å²	43	66.4 Å²	66.4	17%	0.169	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-115.6	26.9	-171.8	-60.5	-69.5	0	0	0	113.6	M335 V370 D371 D378 W878	M335-Y373 HydrophobicContact CE-CD2 4.17Å; M335-Y373 HydrophobicContact CE-CG 4.3Å; M335-Y373 HydrophobicContact SD-CD2 3.5Å; M335-Y373 WeakPolarHBondContact SD-CD2 3.38Å; M335-Y373 HydrophobicContact SD-CE2 3.9Å; M335-Y373 HydrophobicContact SD-CG 4.18Å; V370-Y373 HydrophobicContact CB-CD2 4.02Å; V370-Y373 HydrophobicContact CG1-CD2 3.6Å; V370-Y373 HydrophobicContact CG1-CE2 3.88Å; V370-Y373 PolarHBondContact O-N 3.3Å; D371-Y373 VanDerWaalsContact C-N 3.26Å; D371-Y373 PolarHBondContact O-N 3.22Å; Y373-D378 HydrophobicContact CD1-CB 4.49Å; Y373-D378 WeakPolarHBondContact O-CB 3.38Å; Y373-W878 HydrophobicContact CD1-CZ2 4.34Å; Y373-W878 HydrophobicContact CE1-CH2 4.34Å; Y373-W878 AromaticContact CE1-CZ2 3.69Å; Y373-W878 HydrophobicContact CE1-CZ2 3.69Å; Y373-W878 HydrophobicContact CE2-CH2 4.14Å; Y373-W878 HydrophobicContact CE2-CZ2 4.25Å; Y373-W878 AromaticContact CZ-CH2 3.81Å; Y373-W878 AromaticContact CZ-CZ2 3.63Å
374	M	82.1	Confident	86.6	Confident	12 Å²	12	65.5 Å²	65.5	6%	0.059	33%	0.329	C	S	.	.			trans	-96.9	8.4	-176.8	-63.3	174.5	74	0	0	113.3	A359 E360 K363 I369	A359-M374 HydrophobicContact CB-CE 3.27Å; A359-M374 HydrophobicContact CB-CG 4.13Å; A359-M374 HydrophobicContact CB-SD 4.29Å; E360-M374 HydrophobicContact CG-CE 4.05Å; K363-M374 PolarHBondContact NZ-SD 3Å; I369-M374 HydrophobicContact CG2-CG 4.37Å; I369-M374 HydrophobicContact CG2-SD 4.27Å
375	N	86.3	Confident	86.6	Confident	69 Å²	69	57.2 Å²	57.2	37%	0.369	29%	0.293	S	S	.	.	S	Bend	trans	-89.3	163.8	-177.4	-52	-54.5	0	0	0	112.2	R356 G377 D378 C379	R356-N375 PolarHBondContact NH2-OD1 3.45Å; N375-G377 VanDerWaalsContact C-N 3.27Å; N375-G377 PolarHBondContact O-N 3.24Å; N375-D378 VanDerWaalsContact CB-OD2 3.3Å; N375-D378 WeakPolarHBondContact CB-OD2 3.27Å; N375-D378 PolarHBondContact N-OD2 2.9Å; N375-D378 PolarHBondContact ND2-OD2 3.44Å; N375-D378 PolarHBondContact O-N 3.33Å; N375-D378 VanDerWaalsContact O-N 3.16Å; N375-C379 PolarHBondContact O-N 3.41Å
376	E	86.7	Confident	86.7	Confident	78 Å²	78	53.4 Å²	53.4	36%	0.364	27%	0.267	S	S	.	.	H	α-helix	trans	-58.4	-39.9	176.9	-165.6	-166.2	141.5	0	0	112.1	F352 C379 K380	F352-E376 HydrophobicContact CB-CG 3.51Å; E376-C379 WeakPolarHBondContact O-CB 3.38Å; E376-C379 PolarHBondContact O-N 2.84Å; E376-K380 WeakPolarHBondContact O-CG 3.37Å; E376-K380 PolarHBondContact O-N 2.61Å; E376-K380 VanDerWaalsContact O-N 3.1Å; E376-K380 WeakPolarHBondContact OE1-CE 3.33Å; E376-K380 IonicContact OE1-NZ 3.67Å; E376-K380 PolarHBondContact OE1-NZ 2.87Å
377	G	86.8	Confident	87.1	Confident	39 Å²	39	44.7 Å²	44.7	40%	0.402	23%	0.226	S	C	.	.	H	α-helix	trans	-63	-41.2	176.4	0	0	0	0	0	112.7	N375 K380 I381	N375-G377 VanDerWaalsContact C-N 3.27Å; N375-G377 PolarHBondContact O-N 3.24Å; G377-K380 WeakPolarHBondContact O-CB 3.47Å; G377-K380 PolarHBondContact O-N 2.99Å; G377-I381 WeakPolarHBondContact O-CG1 3.22Å; G377-I381 PolarHBondContact O-N 2.92Å
378	D	85.3	Confident	87.3	Confident	31 Å²	31	46.7 Å²	46.7	17%	0.166	23%	0.229	C	C	.	.	H	α-helix	trans	-67.6	-42.1	177.4	-58.4	-55.3	0	0	0	110.8	Y373 N375 K380 I381 L382	Y373-D378 HydrophobicContact CD1-CB 4.49Å; Y373-D378 WeakPolarHBondContact O-CB 3.38Å; N375-D378 VanDerWaalsContact CB-OD2 3.3Å; N375-D378 WeakPolarHBondContact CB-OD2 3.27Å; N375-D378 PolarHBondContact N-OD2 2.9Å; N375-D378 PolarHBondContact ND2-OD2 3.44Å; N375-D378 PolarHBondContact O-N 3.33Å; N375-D378 VanDerWaalsContact O-N 3.16Å; D378-K380 VanDerWaalsContact C-N 3.29Å; D378-K380 PolarHBondContact O-N 3.03Å; D378-I381 WeakPolarHBondContact O-CB 3.43Å; D378-I381 PolarHBondContact O-N 2.96Å; D378-I381 VanDerWaalsContact O-N 3.07Å; D378-L382 WeakPolarHBondContact O-CG 3.44Å; D378-L382 PolarHBondContact O-N 3.29Å
379	C	90.9	Very high	87.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-55	-44.8	174.7	-165.1	0	0	0	0	111.9	F352 L355 N375 E376 I381 L382 V383	F352-C379 HydrophobicContact CB-CB 4.17Å; F352-C379 HydrophobicContact CD1-CB 4.25Å; L355-C379 HydrophobicContact CB-CB 4.05Å; L355-C379 HydrophobicContact CD2-CB 3.48Å; L355-C379 VanDerWaalsContact CD2-CB 3.48Å; L355-C379 HydrophobicContact CG-CB 4.34Å; N375-C379 PolarHBondContact O-N 3.41Å; E376-C379 WeakPolarHBondContact O-CB 3.38Å; E376-C379 PolarHBondContact O-N 2.84Å; C379-I381 VanDerWaalsContact C-N 3.33Å; C379-I381 PolarHBondContact O-N 3.14Å; C379-L382 PolarHBondContact O-N 3.27Å; C379-V383 WeakPolarHBondContact O-CG2 3.09Å; C379-V383 PolarHBondContact O-N 2.91Å
380	K	92.1	Very high	88.5	Confident	58 Å²	58	41.2 Å²	41.2	25%	0.252	21%	0.207	S	C	.	.	H	α-helix	trans	-58.7	-44.7	175.8	-70.7	166.7	-177.4	169.9	0	111.7	F352 E376 G377 D378 V383 H384	F352-K380 HydrophobicContact CB-CG 4.47Å; F352-K380 HydrophobicContact CD1-CG 4.05Å; F352-K380 HydrophobicContact CD2-CD 4.33Å; F352-K380 HydrophobicContact CD2-CG 3.72Å; F352-K380 HydrophobicContact CE1-CG 4.16Å; F352-K380 HydrophobicContact CE2-CG 3.83Å; F352-K380 HydrophobicContact CG-CG 3.83Å; F352-K380 HydrophobicContact CZ-CG 4.05Å; E376-K380 WeakPolarHBondContact O-CG 3.37Å; E376-K380 PolarHBondContact O-N 2.61Å; E376-K380 VanDerWaalsContact O-N 3.1Å; E376-K380 WeakPolarHBondContact OE1-CE 3.33Å; E376-K380 IonicContact OE1-NZ 3.67Å; E376-K380 PolarHBondContact OE1-NZ 2.87Å; G377-K380 WeakPolarHBondContact O-CB 3.47Å; G377-K380 PolarHBondContact O-N 2.99Å; D378-K380 VanDerWaalsContact C-N 3.29Å; D378-K380 PolarHBondContact O-N 3.03Å; K380-V383 PolarHBondContact O-N 3.33Å; K380-H384 WeakPolarHBondContact O-CB 3.4Å; K380-H384 PolarHBondContact O-N 3.43Å
381	I	90.6	Very high	89.3	Confident	65 Å²	65	41.5 Å²	41.5	33%	0.333	21%	0.207	S	C	.	.	H	α-helix	trans	-63.7	-46.1	178.2	-65.6	165.1	0	0	0	110.6	G377 D378 C379 V383 H384 H385	G377-I381 WeakPolarHBondContact O-CG1 3.22Å; G377-I381 PolarHBondContact O-N 2.92Å; D378-I381 WeakPolarHBondContact O-CB 3.43Å; D378-I381 PolarHBondContact O-N 2.96Å; D378-I381 VanDerWaalsContact O-N 3.07Å; C379-I381 VanDerWaalsContact C-N 3.33Å; C379-I381 PolarHBondContact O-N 3.14Å; I381-V383 PolarHBondContact O-N 3.22Å; I381-H384 WeakPolarHBondContact O-CB 3.18Å; I381-H384 PolarHBondContact O-N 3.49Å; I381-H385 PolarHBondContact O-CD2 3.4Å; I381-H385 PolarHBondContact O-N 3.12Å; I381-H385 VanDerWaalsContact O-N 3.1Å
382	L	91.7	Very high	90.1	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-59.7	-48.7	178.6	-63.2	177	0	0	0	111.2	M335 L338 F339 A342 D378 C379 H384 H385 I386	M335-L382 HydrophobicContact CE-CD2 3.72Å; L338-L382 HydrophobicContact CB-CD1 4.05Å; F339-L382 HydrophobicContact CD2-CD2 3.94Å; F339-L382 HydrophobicContact CE1-CB 4.38Å; F339-L382 HydrophobicContact CE1-CD2 4.09Å; F339-L382 HydrophobicContact CE2-CD2 3.45Å; F339-L382 VanDerWaalsContact CE2-CD2 3.45Å; F339-L382 HydrophobicContact CG-CD2 4.45Å; F339-L382 HydrophobicContact CZ-CD2 3.53Å; A342-L382 HydrophobicContact CB-CB 3.93Å; A342-L382 HydrophobicContact CB-CD1 4.23Å; D378-L382 WeakPolarHBondContact O-CG 3.44Å; D378-L382 PolarHBondContact O-N 3.29Å; C379-L382 PolarHBondContact O-N 3.27Å; L382-H384 VanDerWaalsContact C-N 3.3Å; L382-H384 PolarHBondContact O-N 3.08Å; L382-H385 PolarHBondContact O-N 3.1Å; L382-I386 VanDerWaalsContact O-CG1 3.3Å; L382-I386 WeakPolarHBondContact O-CG1 3.45Å; L382-I386 PolarHBondContact O-N 3.02Å; L382-I386 VanDerWaalsContact O-N 3.09Å
383	V	95.6	Very high	90.8	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-61.4	-38.7	177.4	173.1	0	0	0	0	111.5	A342 A346 F352 C379 K380 I381 H385 I386 A387 D855 L856	A342-V383 HydrophobicContact CB-CG2 4.1Å; A346-V383 HydrophobicContact CB-CG1 3.97Å; A346-V383 HydrophobicContact CB-CG2 3.97Å; F352-V383 HydrophobicContact CE1-CB 4.18Å; F352-V383 HydrophobicContact CE1-CG1 4.33Å; F352-V383 HydrophobicContact CE1-CG2 4.03Å; C379-V383 WeakPolarHBondContact O-CG2 3.09Å; C379-V383 PolarHBondContact O-N 2.91Å; K380-V383 PolarHBondContact O-N 3.33Å; I381-V383 PolarHBondContact O-N 3.22Å; V383-H385 PolarHBondContact O-N 3.24Å; V383-I386 WeakPolarHBondContact O-CB 3.32Å; V383-I386 PolarHBondContact O-N 3.33Å; V383-A387 WeakPolarHBondContact O-CB 3.09Å; V383-A387 PolarHBondContact O-N 3.42Å; V383-D855 HydrophobicContact CG1-CB 4.39Å; V383-L856 HydrophobicContact CG1-CD2 4.1Å
384	H	95.3	Very high	91.4	Very high	56 Å²	56	34.8 Å²	34.8	26%	0.259	17%	0.174	S	C	.	.	H	α-helix	trans	-59.1	-47.6	175.8	-179.7	74.6	0	0	0	112.2	K380 I381 L382 I386 A387 R388 E851 D855	K380-H384 WeakPolarHBondContact O-CB 3.4Å; K380-H384 PolarHBondContact O-N 3.43Å; I381-H384 WeakPolarHBondContact O-CB 3.18Å; I381-H384 PolarHBondContact O-N 3.49Å; L382-H384 VanDerWaalsContact C-N 3.3Å; L382-H384 PolarHBondContact O-N 3.08Å; H384-I386 VanDerWaalsContact C-N 3.33Å; H384-I386 PolarHBondContact O-N 3.43Å; H384-A387 PolarHBondContact O-N 3.01Å; H384-R388 VanDerWaalsContact O-CB 3.29Å; H384-R388 WeakPolarHBondContact O-CB 3.21Å; H384-R388 PolarHBondContact O-N 3.4Å; H384-E851 IonicContact CE1-OE1 2.86Å; H384-D855 IonicContact CE1-OD2 3.58Å; H384-D855 IonicContact CG-OD2 3.09Å; H384-D855 IonicContact ND1-OD2 3.14Å; H384-D855 PolarHBondContact ND1-OD2 2.77Å
385	H	91.7	Very high	92	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.019	17%	0.173	C	C	.	.	H	α-helix	trans	-66.5	-33.4	177.5	-73.1	-76.3	0	0	0	113.1	F339 I381 L382 V383 A389 A874 S877 W878 E881	F339-H385 HydrophobicContact CE1-CB 4.13Å; F339-H385 HydrophobicContact CZ-CB 4.43Å; I381-H385 PolarHBondContact O-CD2 3.4Å; I381-H385 PolarHBondContact O-N 3.12Å; I381-H385 VanDerWaalsContact O-N 3.1Å; L382-H385 PolarHBondContact O-N 3.1Å; V383-H385 PolarHBondContact O-N 3.24Å; H385-A389 WeakPolarHBondContact O-CB 3.48Å; H385-A389 PolarHBondContact O-N 2.88Å; H385-A874 HydrophobicContact CB-CB 4.48Å; H385-S877 PolarHBondContact ND1-OG 2.86Å; H385-W878 AromaticContact CD2-CD1 3.52Å; H385-W878 AromaticContact NE2-CD1 3.54Å; H385-E881 IonicContact CE1-OE2 3.31Å; H385-E881 PolarHBondContact CE1-OE2 2.94Å; H385-E881 IonicContact NE2-OE2 3.04Å; H385-E881 PolarHBondContact NE2-OE2 3.49Å
386	I	95.6	Very high	92.2	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-62.8	-52.7	172.4	-65	168.7	0	0	0	109.9	F339 A342 Y343 L382 V383 H384 R388 A389 L390 V859 F869 A874	F339-I386 HydrophobicContact CD1-CD1 3.84Å; F339-I386 HydrophobicContact CD1-CG1 3.57Å; F339-I386 HydrophobicContact CE1-CG1 3.97Å; A342-I386 HydrophobicContact CB-CD1 4.42Å; Y343-I386 HydrophobicContact CD2-CD1 4.47Å; Y343-I386 HydrophobicContact CD2-CG2 3.77Å; Y343-I386 HydrophobicContact CE2-CG2 4.27Å; L382-I386 VanDerWaalsContact O-CG1 3.3Å; L382-I386 WeakPolarHBondContact O-CG1 3.45Å; L382-I386 PolarHBondContact O-N 3.02Å; L382-I386 VanDerWaalsContact O-N 3.09Å; V383-I386 WeakPolarHBondContact O-CB 3.32Å; V383-I386 PolarHBondContact O-N 3.33Å; H384-I386 VanDerWaalsContact C-N 3.33Å; H384-I386 PolarHBondContact O-N 3.43Å; I386-R388 VanDerWaalsContact C-N 3.27Å; I386-R388 PolarHBondContact O-N 2.96Å; I386-A389 PolarHBondContact O-N 3.19Å; I386-L390 HydrophobicContact CG2-CD1 4.34Å; I386-L390 WeakPolarHBondContact O-CG 3.31Å; I386-L390 PolarHBondContact O-N 3.17Å; I386-V859 HydrophobicContact CB-CG2 4.37Å; I386-V859 HydrophobicContact CG2-CG2 3.66Å; I386-F869 HydrophobicContact CD1-CZ 4.22Å; I386-F869 HydrophobicContact CG1-CZ 4.12Å; I386-F869 HydrophobicContact CG2-CE2 4Å; I386-F869 HydrophobicContact CG2-CZ 4.08Å; I386-A874 HydrophobicContact CB-CB 4.47Å; I386-A874 HydrophobicContact CG1-CB 3.98Å
387	A	96.3	Very high	92.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.9	-39.3	-179.8	0	0	0	0	0	111.6	V383 H384 L390 K391 D855 T858 V859	V383-A387 WeakPolarHBondContact O-CB 3.09Å; V383-A387 PolarHBondContact O-N 3.42Å; H384-A387 PolarHBondContact O-N 3.01Å; A387-L390 PolarHBondContact O-N 2.94Å; A387-K391 WeakPolarHBondContact O-CB 3.23Å; A387-K391 WeakPolarHBondContact O-CG 3.31Å; A387-K391 PolarHBondContact O-N 3.48Å; A387-D855 HydrophobicContact CB-CB 3.54Å; A387-D855 WeakPolarHBondContact CB-OD1 3.37Å; A387-T858 HydrophobicContact CB-CG2 4.32Å; A387-V859 HydrophobicContact CB-CG2 4.23Å
388	R	93.4	Very high	92.6	Very high	112 Å²	112	32.3 Å²	32.3	42%	0.423	15%	0.15	S	C	.	.	H	α-helix	trans	-59.7	-48	174	-175.4	-177.1	179.5	105.8	9.8	112.1	H384 I386 L390 K391 E392	H384-R388 VanDerWaalsContact O-CB 3.29Å; H384-R388 WeakPolarHBondContact O-CB 3.21Å; H384-R388 PolarHBondContact O-N 3.4Å; I386-R388 VanDerWaalsContact C-N 3.27Å; I386-R388 PolarHBondContact O-N 2.96Å; R388-L390 VanDerWaalsContact C-N 3.31Å; R388-L390 PolarHBondContact O-N 3.3Å; R388-K391 WeakPolarHBondContact O-CB 3.36Å; R388-K391 PolarHBondContact O-N 3.25Å; R388-E392 IonicContact CZ-OE1 3.09Å; R388-E392 IonicContact NE-OE1 2.7Å; R388-E392 PolarHBondContact NE-OE1 3.07Å; R388-E392 IonicContact NH2-OE1 3.09Å; R388-E392 PolarHBondContact NH2-OE1 2.81Å; R388-E392 WeakPolarHBondContact O-CG 3.33Å; R388-E392 PolarHBondContact O-N 3.32Å
389	A	92.9	Very high	92.8	Very high	10 Å²	10	37.8 Å²	37.8	8%	0.083	17%	0.168	C	C	.	.	H	α-helix	trans	-60.8	-40.5	178.4	0	0	0	0	0	111.9	H385 I386 E392 E393 R873 A874	H385-A389 WeakPolarHBondContact O-CB 3.48Å; H385-A389 PolarHBondContact O-N 2.88Å; I386-A389 PolarHBondContact O-N 3.19Å; A389-E392 PolarHBondContact O-N 3.41Å; A389-E393 PolarHBondContact O-N 3.04Å; A389-R873 HydrophobicContact CB-CB 3.99Å; A389-A874 HydrophobicContact CB-CB 4.21Å
390	L	95.1	Very high	92.7	Very high	20 Å²	20	44.3 Å²	44.3	11%	0.105	20%	0.202	C	C	.	.	H	α-helix	trans	-66.4	-40.3	175.1	-67.2	174.8	0	0	0	112.2	I386 A387 R388 E393 L394 T858 V859	I386-L390 HydrophobicContact CG2-CD1 4.34Å; I386-L390 WeakPolarHBondContact O-CG 3.31Å; I386-L390 PolarHBondContact O-N 3.17Å; A387-L390 PolarHBondContact O-N 2.94Å; R388-L390 VanDerWaalsContact C-N 3.31Å; R388-L390 PolarHBondContact O-N 3.3Å; L390-E393 PolarHBondContact O-N 3.3Å; L390-L394 WeakPolarHBondContact O-CB 3.29Å; L390-L394 PolarHBondContact O-N 3.21Å; L390-T858 HydrophobicContact CB-CG2 3.92Å; L390-T858 HydrophobicContact CD1-CG2 4.36Å; L390-V859 HydrophobicContact CD1-CG2 4.12Å
391	K	94	Very high	92.5	Very high	25 Å²	25	42.2 Å²	42.2	11%	0.109	20%	0.195	C	C	.	.	H	α-helix	trans	-62.8	-42.7	175.1	-81	169.6	-178	169.2	0	112	A387 R388 L394 A395 L462 D855 T858	A387-K391 WeakPolarHBondContact O-CB 3.23Å; A387-K391 WeakPolarHBondContact O-CG 3.31Å; A387-K391 PolarHBondContact O-N 3.48Å; R388-K391 WeakPolarHBondContact O-CB 3.36Å; R388-K391 PolarHBondContact O-N 3.25Å; K391-L394 PolarHBondContact O-N 3.4Å; K391-A395 PolarHBondContact O-N 3.48Å; K391-L462 HydrophobicContact CB-CD2 3.51Å; K391-L462 HydrophobicContact CD-CD2 4.48Å; K391-L462 HydrophobicContact CG-CD2 3.86Å; K391-L462 WeakPolarHBondContact O-CD2 3.13Å; K391-D855 IonicContact NZ-OD1 2.72Å; K391-D855 PolarHBondContact NZ-OD1 3.33Å; K391-T858 VanDerWaalsContact CE-OG1 3.32Å; K391-T858 WeakPolarHBondContact CE-OG1 3.47Å; K391-T858 HydrophobicContact CG-CG2 4.04Å
392	E	92.6	Very high	92.3	Very high	86 Å²	86	41.7 Å²	41.7	40%	0.402	20%	0.196	S	C	.	.	H	α-helix	trans	-64.1	-42.8	176.4	-73	172.2	-178.4	0	0	111.1	R388 A389 A395 E396	R388-E392 IonicContact CZ-OE1 3.09Å; R388-E392 IonicContact NE-OE1 2.7Å; R388-E392 PolarHBondContact NE-OE1 3.07Å; R388-E392 IonicContact NH2-OE1 3.09Å; R388-E392 PolarHBondContact NH2-OE1 2.81Å; R388-E392 WeakPolarHBondContact O-CG 3.33Å; R388-E392 PolarHBondContact O-N 3.32Å; A389-E392 PolarHBondContact O-N 3.41Å; E392-A395 WeakPolarHBondContact O-CB 3.47Å; E392-A395 PolarHBondContact O-N 3.43Å; E392-E396 WeakPolarHBondContact O-CG 3.44Å; E392-E396 PolarHBondContact O-N 2.92Å
393	E	92.2	Very high	92.2	Very high	62 Å²	62	42.2 Å²	42.2	29%	0.29	20%	0.198	S	C	.	.	H	α-helix	trans	-62.1	-43	173.7	-173.5	-177.6	141.8	0	0	112.4	A389 L390 A395 E396 K397 R873	A389-E393 PolarHBondContact O-N 3.04Å; L390-E393 PolarHBondContact O-N 3.3Å; E393-A395 VanDerWaalsContact C-N 3.31Å; E393-A395 PolarHBondContact O-N 3.07Å; E393-E396 WeakPolarHBondContact O-CB 3.25Å; E393-E396 PolarHBondContact O-N 3.37Å; E393-K397 WeakPolarHBondContact O-CG 3.31Å; E393-K397 PolarHBondContact O-N 3.47Å; E393-K397 WeakPolarHBondContact OE1-CE 3.31Å; E393-K397 IonicContact OE1-NZ 3.53Å; E393-K397 PolarHBondContact OE1-NZ 2.84Å; E393-R873 IonicContact OE2-NH1 2.96Å; E393-R873 PolarHBondContact OE2-NH1 2.65Å
394	L	93.4	Very high	92.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.9	-44.2	174	172.7	58.3	0	0	0	110.9	L390 K391 E396 K397 M398 V424 F426 E436 F437 L438 L462	L390-L394 WeakPolarHBondContact O-CB 3.29Å; L390-L394 PolarHBondContact O-N 3.21Å; K391-L394 PolarHBondContact O-N 3.4Å; L394-E396 VanDerWaalsContact C-N 3.31Å; L394-E396 PolarHBondContact O-N 3.04Å; L394-K397 PolarHBondContact O-N 2.99Å; L394-M398 HydrophobicContact CD1-CG 3.95Å; L394-M398 HydrophobicContact CD1-SD 3.95Å; L394-M398 HydrophobicContact CD2-SD 4.49Å; L394-M398 HydrophobicContact CG-CG 4.37Å; L394-M398 HydrophobicContact CG-SD 3.83Å; L394-M398 WeakPolarHBondContact O-CB 3.17Å; L394-M398 VanDerWaalsContact O-CG 3.25Å; L394-M398 WeakPolarHBondContact O-CG 3.13Å; L394-M398 PolarHBondContact O-N 2.83Å; L394-V424 HydrophobicContact CD1-CG1 3.94Å; L394-V424 HydrophobicContact CD2-CG1 4.45Å; L394-F426 HydrophobicContact CD1-CD1 4.42Å; L394-F426 HydrophobicContact CD1-CE1 3.48Å; L394-F426 VanDerWaalsContact CD1-CE1 3.48Å; L394-F426 HydrophobicContact CD1-CZ 3.92Å; L394-E436 HydrophobicContact CD1-CB 3.95Å; L394-E436 HydrophobicContact CD1-CG 4.49Å; L394-F437 WeakPolarHBondContact CD2-O 3.17Å; L394-L438 HydrophobicContact CD2-CD1 4.28Å; L394-L462 HydrophobicContact CD2-CD1 4.17Å; L394-L462 HydrophobicContact CG-CD1 4.17Å
395	A	92.9	Very high	92.1	Very high	4 Å²	4	39.6 Å²	39.6	3%	0.033	19%	0.186	C	C	.	.	H	α-helix	trans	-63.9	-34.4	177.1	0	0	0	0	0	112.6	K391 E392 E393 R399 L462 L464	K391-A395 PolarHBondContact O-N 3.48Å; E392-A395 WeakPolarHBondContact O-CB 3.47Å; E392-A395 PolarHBondContact O-N 3.43Å; E393-A395 VanDerWaalsContact C-N 3.31Å; E393-A395 PolarHBondContact O-N 3.07Å; A395-R399 VanDerWaalsContact O-CG 3.29Å; A395-R399 WeakPolarHBondContact O-CG 3.16Å; A395-R399 PolarHBondContact O-N 3.49Å; A395-R399 PolarHBondContact O-NH1 2.75Å; A395-L462 HydrophobicContact CB-CB 4.25Å; A395-L462 HydrophobicContact CB-CD1 4.19Å; A395-L464 HydrophobicContact CB-CD1 4.4Å
396	E	91.2	Very high	92.3	Very high	95 Å²	95	39.4 Å²	39.4	44%	0.444	19%	0.185	S	C	.	.	H	α-helix	trans	-63.5	-50.4	171.3	-70.5	174.5	171.6	0	0	110.9	E392 E393 L394 M398 R399 L400 R873	E392-E396 WeakPolarHBondContact O-CG 3.44Å; E392-E396 PolarHBondContact O-N 2.92Å; E393-E396 WeakPolarHBondContact O-CB 3.25Å; E393-E396 PolarHBondContact O-N 3.37Å; L394-E396 VanDerWaalsContact C-N 3.31Å; L394-E396 PolarHBondContact O-N 3.04Å; E396-M398 PolarHBondContact O-N 3.13Å; E396-R399 PolarHBondContact O-N 3.29Å; E396-L400 WeakPolarHBondContact O-CG 3.34Å; E396-L400 PolarHBondContact O-N 2.83Å; E396-R873 IonicContact OE1-NH2 2.64Å; E396-R873 IonicContact OE2-CZ 3.57Å; E396-R873 IonicContact OE2-NH1 3.11Å; E396-R873 IonicContact OE2-NH2 3.62Å; E396-R873 PolarHBondContact OE2-NH2 2.92Å
397	K	91.1	Very high	92.3	Very high	45 Å²	45	39.5 Å²	39.5	20%	0.196	19%	0.185	C	C	.	.	H	α-helix	trans	-60.2	-42.6	178.8	-68.4	172.2	-175.6	160.8	0	112.4	E393 L394 R399 L400 S401 F426 T428 E436	E393-K397 WeakPolarHBondContact O-CG 3.31Å; E393-K397 PolarHBondContact O-N 3.47Å; E393-K397 WeakPolarHBondContact OE1-CE 3.31Å; E393-K397 IonicContact OE1-NZ 3.53Å; E393-K397 PolarHBondContact OE1-NZ 2.84Å; L394-K397 PolarHBondContact O-N 2.99Å; K397-R399 VanDerWaalsContact C-N 3.34Å; K397-R399 PolarHBondContact O-N 3.19Å; K397-L400 PolarHBondContact O-N 2.9Å; K397-S401 PolarHBondContact O-N 2.8Å; K397-F426 HydrophobicContact CB-CD2 4.36Å; K397-F426 HydrophobicContact CB-CE2 3.63Å; K397-F426 HydrophobicContact CB-CZ 3.92Å; K397-F426 HydrophobicContact CD-CE2 3.96Å; K397-F426 HydrophobicContact CD-CZ 3.87Å; K397-F426 HydrophobicContact CG-CE2 4.32Å; K397-T428 HydrophobicContact CB-CG2 3.93Å; K397-T428 HydrophobicContact CG-CG2 4.15Å; K397-E436 IonicContact NZ-OE1 3.87Å; K397-E436 PolarHBondContact NZ-OE1 2.99Å; K397-E436 IonicContact NZ-OE2 3.07Å
398	M	91.3	Very high	92.2	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-62	-40	177.9	-73.4	170.7	66.4	0	0	112.1	L394 E396 L400 S401 L404 V424 F426 L438 F459 L462 L464 L469	L394-M398 HydrophobicContact CD1-CG 3.95Å; L394-M398 HydrophobicContact CD1-SD 3.95Å; L394-M398 HydrophobicContact CD2-SD 4.49Å; L394-M398 HydrophobicContact CG-CG 4.37Å; L394-M398 HydrophobicContact CG-SD 3.83Å; L394-M398 WeakPolarHBondContact O-CB 3.17Å; L394-M398 VanDerWaalsContact O-CG 3.25Å; L394-M398 WeakPolarHBondContact O-CG 3.13Å; L394-M398 PolarHBondContact O-N 2.83Å; E396-M398 PolarHBondContact O-N 3.13Å; M398-L400 VanDerWaalsContact C-N 3.27Å; M398-L400 PolarHBondContact O-N 2.95Å; M398-S401 PolarHBondContact O-N 2.86Å; M398-L404 HydrophobicContact CB-CD1 4.47Å; M398-L404 HydrophobicContact CB-CD2 4.46Å; M398-L404 HydrophobicContact CE-CD1 4.07Å; M398-L404 HydrophobicContact CG-CD2 4.43Å; M398-V424 HydrophobicContact CE-CG2 4.24Å; M398-V424 HydrophobicContact CG-CG1 4.41Å; M398-V424 HydrophobicContact SD-CG1 4.05Å; M398-F426 HydrophobicContact CG-CD1 4.45Å; M398-L438 HydrophobicContact SD-CD1 4.42Å; M398-F459 HydrophobicContact CE-CD1 3.87Å; M398-F459 HydrophobicContact CE-CE1 3.48Å; M398-F459 VanDerWaalsContact CE-CE1 3.48Å; M398-L462 HydrophobicContact SD-CD1 3.78Å; M398-L464 HydrophobicContact CE-CD1 3.82Å; M398-L464 HydrophobicContact SD-CD1 4.29Å; M398-L469 HydrophobicContact CE-CD1 3.96Å
399	R	88.6	Confident	92.2	Very high	145 Å²	145	34.1 Å²	34.1	55%	0.547	17%	0.165	S	C	.	.	H	α-helix	trans	-67.8	-26.1	177	-73.7	178.5	-174.5	103.1	-2.8	113.2	A395 E396 K397	A395-R399 VanDerWaalsContact O-CG 3.29Å; A395-R399 WeakPolarHBondContact O-CG 3.16Å; A395-R399 PolarHBondContact O-N 3.49Å; A395-R399 PolarHBondContact O-NH1 2.75Å; E396-R399 PolarHBondContact O-N 3.29Å; K397-R399 VanDerWaalsContact C-N 3.34Å; K397-R399 PolarHBondContact O-N 3.19Å
400	L	88.4	Confident	91.9	Very high	137 Å²	137	33.8 Å²	33.8	72%	0.717	16%	0.162	S	C	*	.	H	α-helix	trans	-82.5	-19.2	176.6	-65.7	173.6	0	0	0	112.9	E396 K397 M398	E396-L400 WeakPolarHBondContact O-CG 3.34Å; E396-L400 PolarHBondContact O-N 2.83Å; K397-L400 PolarHBondContact O-N 2.9Å; M398-L400 VanDerWaalsContact C-N 3.27Å; M398-L400 PolarHBondContact O-N 2.95Å
401	S	88.7	Confident	91.2	Very high	14 Å²	14	33 Å²	33	10%	0.098	16%	0.158	C	C	.	.			trans	-77.9	133.1	-178.9	-165.9	0	0	0	0	110.8	K397 M398 F403 T427	K397-S401 PolarHBondContact O-N 2.8Å; M398-S401 PolarHBondContact O-N 2.86Å; S401-F403 VanDerWaalsContact C-N 3.34Å; S401-F403 PolarHBondContact OG-O 3.11Å; S401-T427 PolarHBondContact OG-N 3.46Å; S401-T427 PolarHBondContact OG-O 3.22Å
402	P	85.9	Confident	89.7	Confident	55 Å²	55	32.8 Å²	32.8	36%	0.357	16%	0.158	S	C	.	.	S	Bend	trans	-68.7	-34.8	177.7	26.8	-33.7	0	0	0	112.5
403	F	90.5	Very high	88.5	Confident	13 Å²	13	31.6 Å²	31.6	6%	0.057	15%	0.154	C	C	.	.			trans	-134.9	154.7	-179.8	-54.8	-73.5	0	0	0	109.6	S401 L470 V472 I764 Q815 Q818 V819 V822	S401-F403 VanDerWaalsContact C-N 3.34Å; S401-F403 PolarHBondContact OG-O 3.11Å; F403-L470 WeakPolarHBondContact CA-O 3.46Å; F403-L470 HydrophobicContact CD1-CD2 3.51Å; F403-L470 HydrophobicContact CD1-CG 3.86Å; F403-L470 HydrophobicContact CE1-CD2 3.37Å; F403-L470 HydrophobicContact CE1-CG 4.15Å; F403-L470 HydrophobicContact CZ-CD2 4.49Å; F403-V472 HydrophobicContact CB-CG1 4.06Å; F403-V472 HydrophobicContact CB-CG2 3.98Å; F403-V472 HydrophobicContact CD1-CG1 3.51Å; F403-V472 HydrophobicContact CE1-CG1 4.31Å; F403-V472 HydrophobicContact CG-CG1 4.07Å; F403-I764 HydrophobicContact CE1-CD1 4.34Å; F403-I764 HydrophobicContact CE1-CG2 4.18Å; F403-Q815 HydrophobicContact CZ-CG 4.43Å; F403-Q818 HydrophobicContact CD2-CB 4.02Å; F403-Q818 HydrophobicContact CE2-CB 4Å; F403-V819 HydrophobicContact CD1-CG2 4.03Å; F403-V819 HydrophobicContact CD2-CG2 3.6Å; F403-V819 HydrophobicContact CE1-CG2 3.93Å; F403-V819 HydrophobicContact CE2-CG2 3.52Å; F403-V819 HydrophobicContact CG-CG2 3.86Å; F403-V819 HydrophobicContact CZ-CG2 3.69Å; F403-V822 HydrophobicContact CB-CG1 4.32Å
404	L	93.8	Very high	87.1	Confident	2 Å²	2	32.8 Å²	32.8	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	155.8	175.8	-58.4	176.4	0	0	0	110.6	M398 V424 Q425 F426 L469 L470 V471 V472 V822	M398-L404 HydrophobicContact CB-CD1 4.47Å; M398-L404 HydrophobicContact CB-CD2 4.46Å; M398-L404 HydrophobicContact CE-CD1 4.07Å; M398-L404 HydrophobicContact CG-CD2 4.43Å; L404-V424 HydrophobicContact CB-CG2 4.33Å; L404-V424 HydrophobicContact CD2-CG2 4.2Å; L404-Q425 CarbonylContact C-O 3.24Å; L404-Q425 WeakPolarHBondContact CA-O 3.2Å; L404-F426 HydrophobicContact CD2-CB 3.37Å; L404-F426 HydrophobicContact CD2-CG 4.36Å; L404-L469 HydrophobicContact CD1-CB 3.98Å; L404-L469 HydrophobicContact CD1-CD1 3.9Å; L404-L469 HydrophobicContact CD1-CD2 4.17Å; L404-L469 HydrophobicContact CD1-CG 4.24Å; L404-L470 PolarHBondContact N-O 3.09Å; L404-V471 HydrophobicContact CB-CG2 4.39Å; L404-V471 CarbonylContact O-C 3.54Å; L404-V471 VanDerWaalsContact O-CA 3.26Å; L404-V471 WeakPolarHBondContact O-CA 3.35Å; L404-V472 WeakPolarHBondContact O-CG2 3.5Å; L404-V472 PolarHBondContact O-N 2.87Å; L404-V822 VanDerWaalsContact C-CG1 3.44Å
405	S	95.3	Very high	85.8	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	154.5	164.4	-62.6	0	0	0	0	110.8	V424 Q425 G473 V822 P824	S405-V424 CarbonylContact O-C 3.49Å; S405-V424 WeakPolarHBondContact O-CA 3.38Å; S405-Q425 PolarHBondContact N-O 3.1Å; S405-Q425 PolarHBondContact O-N 3.39Å; S405-G473 CarbonylContact C-O 3.59Å; S405-G473 VanDerWaalsContact CA-O 3.25Å; S405-G473 WeakPolarHBondContact CA-O 3.42Å; S405-G473 WeakPolarHBondContact CB-O 3.33Å; S405-G473 WeakPolarHBondContact OG-CA 3.47Å; S405-G473 PolarHBondContact OG-N 2.87Å; S405-V822 WeakPolarHBondContact CB-O 3.46Å; S405-V822 PolarHBondContact OG-O 3.46Å; S405-P824 WeakPolarHBondContact OG-CD 3.36Å
406	V	96.1	Very high	84.8	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138	-177.6	-178.4	0	0	0	0	110.3	M408 V422 Y423 L455 F459 F466 V471 G473 L474 G475	V406-M408 HydrophobicContact CG1-CG 4.42Å; V406-V422 HydrophobicContact CG1-CG1 3.68Å; V406-Y423 WeakPolarHBondContact CA-O 3.38Å; V406-L455 HydrophobicContact CG1-CD2 3.84Å; V406-F459 HydrophobicContact CG2-CE2 3.99Å; V406-F459 HydrophobicContact CG2-CZ 3.61Å; V406-F466 HydrophobicContact CG2-CE2 4.17Å; V406-V471 HydrophobicContact CG2-CG1 4.1Å; V406-V471 HydrophobicContact CG2-CG2 4.45Å; V406-G473 PolarHBondContact N-O 2.87Å; V406-L474 HydrophobicContact CB-CD1 4.19Å; V406-L474 HydrophobicContact CG1-CD1 4.38Å; V406-L474 CarbonylContact O-C 3.57Å; V406-L474 WeakPolarHBondContact O-CA 3.42Å; V406-G475 PolarHBondContact O-N 2.77Å
407	I	95.3	Very high	83.9	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.5	170.7	-68.8	172.9	0	0	0	108.9	V422 Y423 M435 G475 I505 I507 P824 C830	I407-V422 WeakPolarHBondContact O-CA 3.18Å; I407-Y423 HydrophobicContact CG2-CD2 4.34Å; I407-Y423 PolarHBondContact N-O 2.8Å; I407-Y423 PolarHBondContact O-N 3.25Å; I407-M435 HydrophobicContact CD1-CE 3.38Å; I407-M435 HydrophobicContact CD1-SD 3.94Å; I407-G475 CarbonylContact C-O 3.36Å; I407-G475 WeakPolarHBondContact CA-O 3.43Å; I407-I505 HydrophobicContact CB-CD1 4.28Å; I407-I505 HydrophobicContact CD1-CG2 4.49Å; I407-I505 HydrophobicContact CG1-CD1 4.26Å; I407-I505 HydrophobicContact CG2-CD1 3.39Å; I407-I507 HydrophobicContact CG2-CD1 4.01Å; I407-P824 HydrophobicContact CD1-CB 3.69Å; I407-P824 HydrophobicContact CG1-CB 3.6Å; I407-C830 VanDerWaalsContact CG2-SG 3.59Å
408	M	93.9	Very high	83.6	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	122.8	173.2	-56.5	176.4	75.9	0	0	109.4	V406 V420 Y451 L454 L455 L474 G475 V476 D477	V406-M408 HydrophobicContact CG1-CG 4.42Å; M408-V420 HydrophobicContact CB-CG1 4.01Å; M408-V420 HydrophobicContact CE-CG1 4.19Å; M408-Y451 HydrophobicContact CE-CD1 3.92Å; M408-L454 HydrophobicContact CE-CD2 3.75Å; M408-L455 HydrophobicContact CE-CD2 4.12Å; M408-L455 HydrophobicContact CE-CG 4.02Å; M408-L455 HydrophobicContact CG-CD2 4.04Å; M408-L455 HydrophobicContact SD-CD1 4.06Å; M408-L455 HydrophobicContact SD-CD2 3.69Å; M408-L455 HydrophobicContact SD-CG 3.88Å; M408-L474 HydrophobicContact CG-CD1 4.46Å; M408-L474 HydrophobicContact SD-CD1 4.36Å; M408-G475 PolarHBondContact N-O 2.91Å; M408-V476 HydrophobicContact CB-CG1 4.45Å; M408-V476 HydrophobicContact CB-CG2 4.21Å; M408-V476 HydrophobicContact CG-CG2 4.38Å; M408-V476 WeakPolarHBondContact O-CA 3.42Å; M408-V476 HydrophobicContact SD-CG2 4.04Å; M408-D477 PolarHBondContact O-N 3.16Å
409	D	92.1	Very high	83.6	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	98	178.6	-173.3	33.3	0	0	0	110.5	Q411 V420 A421 Y423 I507 R834	D409-Q411 PolarHBondContact O-N 3.42Å; D409-Q411 PolarHBondContact O-NE2 3.41Å; D409-Q411 PolarHBondContact OD2-NE2 3.27Å; D409-V420 WeakPolarHBondContact O-CA 3.35Å; D409-A421 HydrophobicContact CB-CB 4.37Å; D409-A421 PolarHBondContact N-O 2.68Å; D409-A421 PolarHBondContact O-N 2.61Å; D409-Y423 HydrophobicContact CB-CE2 3.9Å; D409-I507 HydrophobicContact CB-CD1 3.49Å; D409-I507 VanDerWaalsContact CB-CD1 3.49Å; D409-I507 VanDerWaalsContact OD1-CD1 3.22Å; D409-I507 WeakPolarHBondContact OD1-CD1 3.41Å; D409-R834 IonicContact OD1-CZ 2.88Å; D409-R834 IonicContact OD1-NH2 3.28Å; D409-R834 PolarHBondContact OD1-NH2 3.27Å; D409-R834 IonicContact OD2-CZ 3.16Å; D409-R834 IonicContact OD2-NE 2.74Å; D409-R834 PolarHBondContact OD2-NE 3.19Å; D409-R834 IonicContact OD2-NH2 3.29Å; D409-R834 PolarHBondContact OD2-NH2 2.99Å
410	A	87	Confident	83.8	Confident	2 Å²	2	33 Å²	33	2%	0.017	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	130.9	172.7	0	0	0	0	0	110.1	N412 V420 D477 G478 I481 R834	A410-N412 PolarHBondContact O-OD1 3.37Å; A410-N412 VanDerWaalsContact O-OD1 3.11Å; A410-V420 HydrophobicContact CB-CG2 4.13Å; A410-D477 PolarHBondContact N-O 3.38Å; A410-G478 WeakPolarHBondContact O-CA 3.41Å; A410-I481 HydrophobicContact CB-CD1 3.73Å; A410-I481 HydrophobicContact CB-CG1 3.75Å; A410-R834 PolarHBondContact O-NH2 3.36Å; A410-R834 VanDerWaalsContact O-NH2 3.13Å
411	Q	81.4	Confident	84	Confident	3 Å²	3	26.6 Å²	26.6	1%	0.014	15%	0.149	C	C	.	.			trans	-76.5	145.4	-177.8	-59.1	-54.1	-51.4	0	0	110.6	D409 F416 L419 N480 L837	D409-Q411 PolarHBondContact O-N 3.42Å; D409-Q411 PolarHBondContact O-NE2 3.41Å; D409-Q411 PolarHBondContact OD2-NE2 3.27Å; Q411-F416 HydrophobicContact CB-CB 3.77Å; Q411-F416 HydrophobicContact CG-CB 4.48Å; Q411-L419 HydrophobicContact CG-CB 4.35Å; Q411-L419 PolarHBondContact N-O 2.79Å; Q411-N480 PolarHBondContact O-ND2 3.03Å; Q411-L837 HydrophobicContact CG-CD2 3.81Å
412	N	62.9	Low	84.4	Confident	21 Å²	21	25.9 Å²	25.9	11%	0.112	14%	0.144	C	C	.	.			trans	-100.6	-9.7	-166.7	-64	-4.5	0	0	0	113.3	A410 T479 R834	A410-N412 PolarHBondContact O-OD1 3.37Å; A410-N412 VanDerWaalsContact O-OD1 3.11Å; N412-T479 HydrophobicContact CB-CG2 4.3Å; N412-T479 WeakPolarHBondContact CB-OG1 3.3Å; N412-T479 WeakPolarHBondContact ND2-CG2 3.48Å; N412-T479 PolarHBondContact OD1-N 2.93Å; N412-T479 PolarHBondContact OD1-OG1 3.48Å; N412-R834 PolarHBondContact ND2-NH1 2.94Å
413	D	65.5	Low	84.8	Confident	62 Å²	62	23.4 Å²	23.4	33%	0.332	13%	0.128	S	C	.	.	S	Bend	trans	-84.9	139.2	-178.1	-64.4	-36.7	0	0	0	109.8	L415 F416 S417	D413-L415 PolarHBondContact O-N 3.44Å; D413-L415 VanDerWaalsContact O-N 3.08Å; D413-F416 HydrophobicContact CB-CD2 3.84Å; D413-F416 CarbonylContact O-C 3.56Å; D413-F416 VanDerWaalsContact O-C 3.3Å; D413-F416 WeakPolarHBondContact O-CA 3.28Å; D413-F416 PolarHBondContact O-N 2.99Å; D413-S417 PolarHBondContact O-N 3.03Å
414	D	64.1	Low	85.1	Confident	86 Å²	86	22.8 Å²	22.8	46%	0.46	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-52.3	-35.7	-179.9	-79.8	-6.5	0	0	0	112.8	F416 S417 A569	D414-F416 VanDerWaalsContact C-N 3.26Å; D414-F416 PolarHBondContact O-N 3.09Å; D414-S417 PolarHBondContact O-N 3.03Å; D414-S417 PolarHBondContact O-OG 2.63Å; D414-A569 VanDerWaalsContact OD2-CA 3.29Å; D414-A569 WeakPolarHBondContact OD2-CA 3.33Å; D414-A569 VanDerWaalsContact OD2-O 3.06Å
415	L	66.3	Low	85.1	Confident	150 Å²	150	23.1 Å²	23.1	79%	0.785	13%	0.126	S	C	*	.	G	3₁₀ helix	trans	-66.2	-24.5	176.6	-68.2	173.4	0	0	0	114	D413	D413-L415 PolarHBondContact O-N 3.44Å; D413-L415 VanDerWaalsContact O-N 3.08Å
416	F	71.7	Confident	84.9	Confident	28 Å²	28	23.1 Å²	23.1	12%	0.123	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-121.3	19.4	-176.2	-52.4	-52	0	0	0	111.5	Q411 D413 D414 D418 L419 C841 M853	Q411-F416 HydrophobicContact CB-CB 3.77Å; Q411-F416 HydrophobicContact CG-CB 4.48Å; D413-F416 HydrophobicContact CB-CD2 3.84Å; D413-F416 CarbonylContact O-C 3.56Å; D413-F416 VanDerWaalsContact O-C 3.3Å; D413-F416 WeakPolarHBondContact O-CA 3.28Å; D413-F416 PolarHBondContact O-N 2.99Å; D414-F416 VanDerWaalsContact C-N 3.26Å; D414-F416 PolarHBondContact O-N 3.09Å; F416-D418 PolarHBondContact O-N 3.43Å; F416-D418 VanDerWaalsContact O-N 3.07Å; F416-L419 HydrophobicContact CB-CB 4.3Å; F416-L419 HydrophobicContact CB-CD1 4.06Å; F416-L419 HydrophobicContact CB-CG 4.31Å; F416-L419 HydrophobicContact CD1-CD1 3.59Å; F416-L419 HydrophobicContact CG-CD1 4.19Å; F416-L419 PolarHBondContact O-N 3.42Å; F416-C841 HydrophobicContact CE2-CB 4.34Å; F416-C841 HydrophobicContact CZ-CB 3.9Å; F416-C841 WeakPolarHBondContact CZ-SG 3.28Å; F416-M853 HydrophobicContact CD1-CE 4.41Å; F416-M853 HydrophobicContact CE1-CE 4Å
417	S	72.9	Confident	84.5	Confident	60 Å²	60	23.8 Å²	23.8	42%	0.42	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.9	-172.9	52.3	0	0	0	0	113.3	D413 D414 N480	D413-S417 PolarHBondContact O-N 3.03Å; D414-S417 PolarHBondContact O-N 3.03Å; D414-S417 PolarHBondContact O-OG 2.63Å; S417-N480 WeakPolarHBondContact CA-ND2 3.4Å; S417-N480 WeakPolarHBondContact CB-ND2 3.33Å; S417-N480 PolarHBondContact O-ND2 2.72Å
418	D	84.3	Confident	83.6	Confident	52 Å²	52	24.9 Å²	24.9	28%	0.278	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-1.3	176.3	64.7	-17.8	0	0	0	113.9	F416 R442 V443	F416-D418 PolarHBondContact O-N 3.43Å; F416-D418 VanDerWaalsContact O-N 3.07Å; D418-R442 HydrophobicContact CB-CG 4.17Å; D418-R442 CarbonylContact O-C 3.5Å; D418-R442 WeakPolarHBondContact O-CA 3.38Å; D418-R442 WeakPolarHBondContact OD2-CD 3.29Å; D418-R442 WeakPolarHBondContact OD2-CG 3.28Å; D418-R442 IonicContact OD2-CZ 2.92Å; D418-R442 IonicContact OD2-NE 3.73Å; D418-R442 PolarHBondContact OD2-NE 2.76Å; D418-R442 IonicContact OD2-NH2 3.87Å; D418-V443 PolarHBondContact O-N 2.89Å
419	L	89.9	Confident	82.2	Confident	4 Å²	4	30.3 Å²	30.3	2%	0.021	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	137.8	-177.9	-57.7	-175.8	0	0	0	112.1	Q411 F416 L440 E441 R442 L850 M853	Q411-L419 HydrophobicContact CG-CB 4.35Å; Q411-L419 PolarHBondContact N-O 2.79Å; F416-L419 HydrophobicContact CB-CB 4.3Å; F416-L419 HydrophobicContact CB-CD1 4.06Å; F416-L419 HydrophobicContact CB-CG 4.31Å; F416-L419 HydrophobicContact CD1-CD1 3.59Å; F416-L419 HydrophobicContact CG-CD1 4.19Å; F416-L419 PolarHBondContact O-N 3.42Å; L419-L440 HydrophobicContact CB-CD1 4.08Å; L419-L440 HydrophobicContact CB-CG 4.49Å; L419-L440 HydrophobicContact CD1-CD2 4.08Å; L419-L440 HydrophobicContact CD1-CG 4.48Å; L419-E441 WeakPolarHBondContact CA-O 3.38Å; L419-R442 HydrophobicContact CD2-CB 4Å; L419-R442 HydrophobicContact CD2-CG 4.44Å; L419-L850 HydrophobicContact CD2-CD1 3.93Å; L419-M853 HydrophobicContact CD1-CE 4.19Å
420	V	92.9	Very high	80.5	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	122.9	174.7	178.6	0	0	0	0	108.6	M408 D409 A410 V422 E441 V443 Y451 L454	M408-V420 HydrophobicContact CB-CG1 4.01Å; M408-V420 HydrophobicContact CE-CG1 4.19Å; D409-V420 WeakPolarHBondContact O-CA 3.35Å; A410-V420 HydrophobicContact CB-CG2 4.13Å; V420-V422 HydrophobicContact CG1-CG2 4.44Å; V420-E441 PolarHBondContact N-O 2.88Å; V420-E441 PolarHBondContact O-N 3.07Å; V420-V443 HydrophobicContact CB-CG2 4.39Å; V420-V443 HydrophobicContact CG2-CG2 3.4Å; V420-V443 VanDerWaalsContact CG2-CG2 3.4Å; V420-Y451 HydrophobicContact CG2-CE1 3.97Å; V420-L454 HydrophobicContact CB-CD1 3.8Å; V420-L454 HydrophobicContact CB-CD2 4.17Å; V420-L454 HydrophobicContact CG1-CD2 4.11Å; V420-L454 HydrophobicContact CG2-CD1 4.03Å
421	A	94	Very high	79.1	Confident	2 Å²	2	36 Å²	36	2%	0.017	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	128.7	170.8	0	0	0	0	0	108.8	D409 Y423 F437 L440	D409-A421 HydrophobicContact CB-CB 4.37Å; D409-A421 PolarHBondContact N-O 2.68Å; D409-A421 PolarHBondContact O-N 2.61Å; A421-Y423 HydrophobicContact CB-CE2 3.62Å; A421-F437 HydrophobicContact CB-CE2 4.09Å; A421-L440 HydrophobicContact CB-CD1 3.96Å
422	V	95.6	Very high	78.6	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	131.9	178.1	-173.5	0	0	0	0	108.3	V406 I407 V420 L438 S439 L454 A458	V406-V422 HydrophobicContact CG1-CG1 3.68Å; I407-V422 WeakPolarHBondContact O-CA 3.18Å; V420-V422 HydrophobicContact CG1-CG2 4.44Å; V422-L438 HydrophobicContact CB-CB 4.43Å; V422-L438 HydrophobicContact CB-CD2 4.49Å; V422-L438 HydrophobicContact CG1-CB 4.38Å; V422-L438 HydrophobicContact CG1-CD2 3.87Å; V422-L438 WeakPolarHBondContact O-CA 3.43Å; V422-L438 WeakPolarHBondContact O-CB 3.48Å; V422-L438 PolarHBondContact O-N 3.04Å; V422-S439 PolarHBondContact N-O 3.43Å; V422-S439 PolarHBondContact O-N 2.95Å; V422-L454 HydrophobicContact CG2-CD2 3.63Å; V422-A458 HydrophobicContact CB-CB 4.14Å; V422-A458 HydrophobicContact CG1-CB 4.26Å; V422-A458 HydrophobicContact CG2-CB 3.87Å
423	Y	95.9	Very high	79.5	Confident	3 Å²	3	41.1 Å²	41.1	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	150.5	177	-55.7	-97.6	0	0	0	109	V406 I407 D409 A421 E436 F437 C830 G833	V406-Y423 WeakPolarHBondContact CA-O 3.38Å; I407-Y423 HydrophobicContact CG2-CD2 4.34Å; I407-Y423 PolarHBondContact N-O 2.8Å; I407-Y423 PolarHBondContact O-N 3.25Å; D409-Y423 HydrophobicContact CB-CE2 3.9Å; A421-Y423 HydrophobicContact CB-CE2 3.62Å; Y423-E436 WeakPolarHBondContact CA-O 3.12Å; Y423-F437 HydrophobicContact CD1-CB 3.98Å; Y423-F437 HydrophobicContact CD1-CD2 4.22Å; Y423-F437 HydrophobicContact CE1-CB 3.97Å; Y423-F437 AromaticContact CE1-CD2 3.79Å; Y423-F437 HydrophobicContact CE1-CD2 3.79Å; Y423-F437 HydrophobicContact CE1-CG 4.38Å; Y423-C830 HydrophobicContact CD2-CB 4.37Å; Y423-C830 VanDerWaalsContact CD2-SG 3.54Å; Y423-C830 HydrophobicContact CE2-CB 4.02Å; Y423-G833 WeakPolarHBondContact OH-CA 3.42Å
424	V	95.4	Very high	80.6	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133.9	176.7	62.6	0	0	0	0	109.7	L394 M398 L404 S405 F426 M435 E436	L394-V424 HydrophobicContact CD1-CG1 3.94Å; L394-V424 HydrophobicContact CD2-CG1 4.45Å; M398-V424 HydrophobicContact CE-CG2 4.24Å; M398-V424 HydrophobicContact CG-CG1 4.41Å; M398-V424 HydrophobicContact SD-CG1 4.05Å; L404-V424 HydrophobicContact CB-CG2 4.33Å; L404-V424 HydrophobicContact CD2-CG2 4.2Å; S405-V424 CarbonylContact O-C 3.49Å; S405-V424 WeakPolarHBondContact O-CA 3.38Å; V424-F426 HydrophobicContact CG1-CD1 4.07Å; V424-F426 HydrophobicContact CG1-CE1 4.18Å; V424-F426 HydrophobicContact CG2-CD1 4.33Å; V424-M435 WeakPolarHBondContact O-CA 3.4Å; V424-E436 PolarHBondContact N-O 3.29Å; V424-E436 PolarHBondContact O-N 2.68Å
425	Q	93.9	Very high	82	Confident	9 Å²	9	38.9 Å²	38.9	4%	0.042	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	132.4	172.7	-177.3	174.6	-22.6	0	0	109.6	L404 S405 P433 Q434 M435 R821 V822 L823	L404-Q425 CarbonylContact C-O 3.24Å; L404-Q425 WeakPolarHBondContact CA-O 3.2Å; S405-Q425 PolarHBondContact N-O 3.1Å; S405-Q425 PolarHBondContact O-N 3.39Å; Q425-P433 HydrophobicContact CG-CB 4.16Å; Q425-Q434 CarbonylContact C-O 3.58Å; Q425-Q434 VanDerWaalsContact CA-O 3.26Å; Q425-Q434 WeakPolarHBondContact CA-O 3.25Å; Q425-M435 HydrophobicContact CB-CE 4.26Å; Q425-M435 HydrophobicContact CG-CE 4.48Å; Q425-R821 PolarHBondContact NE2-O 3.29Å; Q425-V822 VanDerWaalsContact CD-O 3.25Å; Q425-V822 WeakPolarHBondContact CG-O 3.48Å; Q425-V822 PolarHBondContact NE2-O 3.21Å; Q425-V822 WeakPolarHBondContact O-CG1 3.34Å; Q425-L823 PolarHBondContact NE2-O 2.84Å; Q425-L823 PolarHBondContact OE1-O 3.27Å
426	F	92	Very high	83.3	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	171.1	-174.8	61.8	-94.6	0	0	0	111.5	L394 K397 M398 L404 V424 T428 Q434 E436	L394-F426 HydrophobicContact CD1-CD1 4.42Å; L394-F426 HydrophobicContact CD1-CE1 3.48Å; L394-F426 VanDerWaalsContact CD1-CE1 3.48Å; L394-F426 HydrophobicContact CD1-CZ 3.92Å; K397-F426 HydrophobicContact CB-CD2 4.36Å; K397-F426 HydrophobicContact CB-CE2 3.63Å; K397-F426 HydrophobicContact CB-CZ 3.92Å; K397-F426 HydrophobicContact CD-CE2 3.96Å; K397-F426 HydrophobicContact CD-CZ 3.87Å; K397-F426 HydrophobicContact CG-CE2 4.32Å; M398-F426 HydrophobicContact CG-CD1 4.45Å; L404-F426 HydrophobicContact CD2-CB 3.37Å; L404-F426 HydrophobicContact CD2-CG 4.36Å; V424-F426 HydrophobicContact CG1-CD1 4.07Å; V424-F426 HydrophobicContact CG1-CE1 4.18Å; V424-F426 HydrophobicContact CG2-CD1 4.33Å; F426-T428 HydrophobicContact CD2-CG2 4.03Å; F426-T428 HydrophobicContact CE2-CG2 3.93Å; F426-Q434 HydrophobicContact CD2-CB 4.46Å; F426-Q434 HydrophobicContact CE2-CB 4.03Å; F426-Q434 HydrophobicContact CZ-CB 4.16Å; F426-Q434 PolarHBondContact N-O 3.3Å; F426-Q434 PolarHBondContact O-N 3.36Å; F426-E436 HydrophobicContact CE1-CB 4.15Å; F426-E436 HydrophobicContact CE1-CG 4.06Å; F426-E436 HydrophobicContact CZ-CG 4.09Å
427	T	87.2	Confident	84.5	Confident	14 Å²	14	31.5 Å²	31.5	9%	0.086	19%	0.192	C	C	.	.			trans	-130.1	122.2	177.2	53	0	0	0	0	110.4	S401 P433 R821 V822	S401-T427 PolarHBondContact OG-N 3.46Å; S401-T427 PolarHBondContact OG-O 3.22Å; T427-P433 HydrophobicContact CG2-CB 4.22Å; T427-R821 HydrophobicContact CG2-CB 4.39Å; T427-V822 HydrophobicContact CG2-CG2 3.58Å
428	T	77.3	Confident	85.6	Confident	25 Å²	25	28.7 Å²	28.7	15%	0.153	17%	0.172	C	C	.	.			trans	-101.3	119.4	171.1	45.9	0	0	0	0	108.9	K397 F426 S431 Q434	K397-T428 HydrophobicContact CB-CG2 3.93Å; K397-T428 HydrophobicContact CG-CG2 4.15Å; F426-T428 HydrophobicContact CD2-CG2 4.03Å; F426-T428 HydrophobicContact CE2-CG2 3.93Å; T428-S431 WeakPolarHBondContact O-CB 3.27Å; T428-S431 PolarHBondContact O-N 3.31Å; T428-S431 PolarHBondContact O-OG 3Å; T428-Q434 PolarHBondContact OG1-OE1 3.09Å
429	S	63.5	Low	86.1	Confident	113 Å²	113	26.2 Å²	26.2	79%	0.79	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	31.5	90.6	175.6	58.5	0	0	0	0	116	S431	S429-S431 PolarHBondContact O-N 2.97Å
430	D	57	Low	86.3	Confident	85 Å²	85	26 Å²	26	46%	0.455	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	-5.8	171.6	-58.2	-19	0	0	0	118.1	K807 R821	D430-K807 WeakPolarHBondContact OD1-CE 3.07Å; D430-K807 IonicContact OD1-NZ 2.75Å; D430-K807 PolarHBondContact OD1-NZ 3.21Å; D430-K807 IonicContact OD2-NZ 3.96Å; D430-K807 PolarHBondContact OD2-NZ 2.75Å; D430-R821 PolarHBondContact O-NH2 3.06Å
431	S	57.8	Low	86.4	Confident	38 Å²	38	27 Å²	27	27%	0.266	16%	0.162	S	C	.	.	S	Bend	trans	-75.8	159.5	179.6	72.9	0	0	0	0	113.8	T428 S429 R821	T428-S431 WeakPolarHBondContact O-CB 3.27Å; T428-S431 PolarHBondContact O-N 3.31Å; T428-S431 PolarHBondContact O-OG 3Å; S429-S431 PolarHBondContact O-N 2.97Å; S431-R821 PolarHBondContact O-NH2 2.9Å
432	S	70.6	Confident	86.2	Confident	75 Å²	75	32.5 Å²	32.5	52%	0.524	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-49.1	146.3	173	50.3	0	0	0	0	111.5	Q434	S432-Q434 PolarHBondContact O-N 2.93Å
433	P	82.4	Confident	85.9	Confident	56 Å²	56	33.1 Å²	33.1	36%	0.364	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-55.1	131.5	177.6	25.3	-34	0	0	0	110.5	Q425 T427 R821	Q425-P433 HydrophobicContact CG-CB 4.16Å; T427-P433 HydrophobicContact CG2-CB 4.22Å; P433-R821 WeakPolarHBondContact CB-O 3.4Å; P433-R821 WeakPolarHBondContact CG-O 3.27Å
434	Q	88.4	Confident	85.3	Confident	66 Å²	66	36.5 Å²	36.5	31%	0.308	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	137	176.1	-65.7	-176.7	-20.4	0	0	108	Q425 F426 T428 S432	Q425-Q434 CarbonylContact C-O 3.58Å; Q425-Q434 VanDerWaalsContact CA-O 3.26Å; Q425-Q434 WeakPolarHBondContact CA-O 3.25Å; F426-Q434 HydrophobicContact CD2-CB 4.46Å; F426-Q434 HydrophobicContact CE2-CB 4.03Å; F426-Q434 HydrophobicContact CZ-CB 4.16Å; F426-Q434 PolarHBondContact N-O 3.3Å; F426-Q434 PolarHBondContact O-N 3.36Å; T428-Q434 PolarHBondContact OG1-OE1 3.09Å; S432-Q434 PolarHBondContact O-N 2.93Å
435	M	92.1	Very high	84.7	Confident	34 Å²	34	42 Å²	42	17%	0.167	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	120.7	173.8	-177.6	178.1	-63	0	0	108.1	I407 V424 Q425 S826 C829	I407-M435 HydrophobicContact CD1-CE 3.38Å; I407-M435 HydrophobicContact CD1-SD 3.94Å; V424-M435 WeakPolarHBondContact O-CA 3.4Å; Q425-M435 HydrophobicContact CB-CE 4.26Å; Q425-M435 HydrophobicContact CG-CE 4.48Å; M435-S826 WeakPolarHBondContact CE-O 3.19Å; M435-C829 HydrophobicContact CB-CB 3.95Å; M435-C829 HydrophobicContact CG-CB 3.63Å; M435-C829 PolarHBondContact O-SG 3.37Å; M435-C829 HydrophobicContact SD-CB 3.59Å; M435-C829 VanDerWaalsContact SD-CB 3.59Å
436	E	94.2	Very high	84.2	Confident	22 Å²	22	46.1 Å²	46.1	10%	0.103	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	151.7	-179.4	-65.6	-169.2	-160.6	0	0	109.8	L394 K397 Y423 V424 F426	L394-E436 HydrophobicContact CD1-CB 3.95Å; L394-E436 HydrophobicContact CD1-CG 4.49Å; K397-E436 IonicContact NZ-OE1 3.87Å; K397-E436 PolarHBondContact NZ-OE1 2.99Å; K397-E436 IonicContact NZ-OE2 3.07Å; Y423-E436 WeakPolarHBondContact CA-O 3.12Å; V424-E436 PolarHBondContact N-O 3.29Å; V424-E436 PolarHBondContact O-N 2.68Å; F426-E436 HydrophobicContact CE1-CB 4.15Å; F426-E436 HydrophobicContact CE1-CG 4.06Å; F426-E436 HydrophobicContact CZ-CG 4.09Å
437	F	96.8	Very high	84	Confident	1 Å²	1	49.2 Å²	49.2	0%	0.004	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	130.9	173.1	170.8	-99.3	0	0	0	110.1	L394 A421 Y423 S439 L440 L857 V861 N862	L394-F437 WeakPolarHBondContact CD2-O 3.17Å; A421-F437 HydrophobicContact CB-CE2 4.09Å; Y423-F437 HydrophobicContact CD1-CB 3.98Å; Y423-F437 HydrophobicContact CD1-CD2 4.22Å; Y423-F437 HydrophobicContact CE1-CB 3.97Å; Y423-F437 AromaticContact CE1-CD2 3.79Å; Y423-F437 HydrophobicContact CE1-CD2 3.79Å; Y423-F437 HydrophobicContact CE1-CG 4.38Å; F437-S439 WeakPolarHBondContact CE2-O 3.13Å; F437-L440 HydrophobicContact CE2-CB 4.31Å; F437-L440 HydrophobicContact CZ-CB 3.88Å; F437-L857 HydrophobicContact CD1-CB 4.3Å; F437-L857 HydrophobicContact CE1-CB 3.74Å; F437-L857 HydrophobicContact CE2-CB 4.47Å; F437-L857 HydrophobicContact CE2-CD1 4.17Å; F437-L857 HydrophobicContact CZ-CB 3.82Å; F437-L857 HydrophobicContact CZ-CD1 3.87Å; F437-V861 HydrophobicContact CB-CB 3.93Å; F437-V861 HydrophobicContact CB-CG1 3.74Å; F437-V861 HydrophobicContact CB-CG2 4.5Å; F437-N862 WeakPolarHBondContact CB-OD1 3.35Å; F437-N862 PolarHBondContact N-OD1 3.42Å; F437-N862 PolarHBondContact O-ND2 3.05Å
438	L	95.9	Very high	84.1	Confident	1 Å²	1	50 Å²	50	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-61.9	-179.6	176.9	63.5	0	0	0	110.9	L394 M398 V422 A458 F459 L462	L394-L438 HydrophobicContact CD2-CD1 4.28Å; M398-L438 HydrophobicContact SD-CD1 4.42Å; V422-L438 HydrophobicContact CB-CB 4.43Å; V422-L438 HydrophobicContact CB-CD2 4.49Å; V422-L438 HydrophobicContact CG1-CB 4.38Å; V422-L438 HydrophobicContact CG1-CD2 3.87Å; V422-L438 WeakPolarHBondContact O-CA 3.43Å; V422-L438 WeakPolarHBondContact O-CB 3.48Å; V422-L438 PolarHBondContact O-N 3.04Å; L438-A458 HydrophobicContact CD2-CB 4.11Å; L438-F459 HydrophobicContact CD2-CD1 4.25Å; L438-F459 HydrophobicContact CD2-CD2 3.78Å; L438-F459 HydrophobicContact CD2-CE1 4.16Å; L438-F459 HydrophobicContact CD2-CE2 3.67Å; L438-F459 HydrophobicContact CD2-CG 4.09Å; L438-F459 HydrophobicContact CD2-CZ 3.88Å; L438-L462 HydrophobicContact CD1-CD1 3.25Å; L438-L462 HydrophobicContact CD1-CG 3.79Å
439	S	95.7	Very high	84.7	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	163.8	178.8	71.8	0	0	0	0	112.3	V422 F437 E441 A458 N854	V422-S439 PolarHBondContact N-O 3.43Å; V422-S439 PolarHBondContact O-N 2.95Å; F437-S439 WeakPolarHBondContact CE2-O 3.13Å; S439-E441 WeakPolarHBondContact OG-CG 3.43Å; S439-E441 PolarHBondContact OG-OE1 3.4Å; S439-A458 VanDerWaalsContact OG-CA 3.29Å; S439-A458 WeakPolarHBondContact OG-CA 3.31Å; S439-A458 VanDerWaalsContact OG-CB 3.26Å; S439-A458 WeakPolarHBondContact OG-CB 3.14Å; S439-N854 WeakPolarHBondContact CA-OD1 3.43Å
440	L	94.8	Very high	86	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	115	171.6	-177.7	71.5	0	0	0	107.7	L419 A421 F437 L837 L850 M853 N854 L857	L419-L440 HydrophobicContact CB-CD1 4.08Å; L419-L440 HydrophobicContact CB-CG 4.49Å; L419-L440 HydrophobicContact CD1-CD2 4.08Å; L419-L440 HydrophobicContact CD1-CG 4.48Å; A421-L440 HydrophobicContact CB-CD1 3.96Å; F437-L440 HydrophobicContact CE2-CB 4.31Å; F437-L440 HydrophobicContact CZ-CB 3.88Å; L440-L837 HydrophobicContact CD2-CD1 4.32Å; L440-L850 HydrophobicContact CD2-CD1 4.04Å; L440-L850 HydrophobicContact CG-CD1 4.08Å; L440-L850 WeakPolarHBondContact O-CD1 3.5Å; L440-M853 HydrophobicContact CD2-CB 4.2Å; L440-M853 HydrophobicContact CD2-CE 4Å; L440-N854 PolarHBondContact N-OD1 2.89Å; L440-N854 PolarHBondContact O-ND2 3.09Å; L440-L857 HydrophobicContact CB-CD1 4.19Å; L440-L857 HydrophobicContact CD2-CD1 3.82Å; L440-L857 HydrophobicContact CG-CD1 4.45Å
441	E	93.4	Very high	87.7	Confident	22 Å²	22	44.3 Å²	44.3	10%	0.103	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	150.4	-173.6	-68.9	-59.2	151.2	0	0	111.8	L419 V420 S439 L454 A458 V461	L419-E441 WeakPolarHBondContact CA-O 3.38Å; V420-E441 PolarHBondContact N-O 2.88Å; V420-E441 PolarHBondContact O-N 3.07Å; S439-E441 WeakPolarHBondContact OG-CG 3.43Å; S439-E441 PolarHBondContact OG-OE1 3.4Å; E441-L454 HydrophobicContact CB-CD1 3.62Å; E441-L454 HydrophobicContact CB-CD2 3.95Å; E441-L454 HydrophobicContact CB-CG 3.51Å; E441-L454 HydrophobicContact CG-CD2 4.43Å; E441-L454 HydrophobicContact CG-CG 4.23Å; E441-A458 HydrophobicContact CG-CB 4.03Å; E441-V461 WeakPolarHBondContact OE1-CG2 3.5Å
442	R	90.9	Very high	89.3	Confident	119 Å²	119	44.5 Å²	44.5	45%	0.449	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.1	173.3	-177.6	172.9	-78.2	153.7	0.9	110.9	D418 L419 S444 R457 L850	D418-R442 HydrophobicContact CB-CG 4.17Å; D418-R442 CarbonylContact O-C 3.5Å; D418-R442 WeakPolarHBondContact O-CA 3.38Å; D418-R442 WeakPolarHBondContact OD2-CD 3.29Å; D418-R442 WeakPolarHBondContact OD2-CG 3.28Å; D418-R442 IonicContact OD2-CZ 2.92Å; D418-R442 IonicContact OD2-NE 3.73Å; D418-R442 PolarHBondContact OD2-NE 2.76Å; D418-R442 IonicContact OD2-NH2 3.87Å; L419-R442 HydrophobicContact CD2-CB 4Å; L419-R442 HydrophobicContact CD2-CG 4.44Å; R442-S444 PolarHBondContact O-N 2.83Å; R442-R457 PolarHBondContact O-NH2 2.9Å; R442-R457 VanDerWaalsContact O-NH2 3.1Å; R442-L850 HydrophobicContact CB-CD2 4.3Å
443	V	89	Confident	90.3	Very high	13 Å²	13	46.1 Å²	46.1	8%	0.079	24%	0.243	C	C	.	.			trans	-72.6	117.3	170	179.3	0	0	0	0	108.3	D418 V420 M445 Y451 L454	D418-V443 PolarHBondContact O-N 2.89Å; V420-V443 HydrophobicContact CB-CG2 4.39Å; V420-V443 HydrophobicContact CG2-CG2 3.4Å; V420-V443 VanDerWaalsContact CG2-CG2 3.4Å; V443-M445 VanDerWaalsContact CG1-C 3.46Å; V443-M445 WeakPolarHBondContact CG1-O 3.29Å; V443-Y451 HydrophobicContact CG2-CD1 4.22Å; V443-Y451 HydrophobicContact CG2-CE1 3.83Å; V443-L454 HydrophobicContact CB-CD1 4.34Å; V443-L454 HydrophobicContact CG2-CD1 3.36Å
444	S	82.6	Confident	90.8	Very high	74 Å²	74	43.4 Å²	43.4	52%	0.517	23%	0.226	S	C	.	.	S	Bend	trans	-75.5	-39.8	178	-58.6	0	0	0	0	111.5	R442 R457	R442-S444 PolarHBondContact O-N 2.83Å; S444-R457 PolarHBondContact OG-NH1 3.21Å
445	M	83.8	Confident	91	Very high	114 Å²	114	40.4 Å²	40.4	56%	0.562	21%	0.212	S	C	*	.	S	Bend	trans	-134.4	126.2	178.5	-58.3	-61.2	-74.6	0	0	108.6	V443 N447	V443-M445 VanDerWaalsContact CG1-C 3.46Å; V443-M445 WeakPolarHBondContact CG1-O 3.29Å; M445-N447 PolarHBondContact O-N 3.43Å
446	P	82.7	Confident	90.9	Very high	96 Å²	96	41.9 Å²	41.9	62%	0.623	22%	0.22	S	C	*	.	S	Bend	trans	-79	54.8	-179.2	33.8	-36.5	0	0	0	111.4
447	N	87.7	Confident	90.9	Very high	66 Å²	66	44.7 Å²	44.7	35%	0.353	23%	0.23	S	C	.	.	S	Bend	trans	-127.9	171.2	175.8	67.5	7.1	0	0	0	109.8	M445 D449 G450 Y451	M445-N447 PolarHBondContact O-N 3.43Å; N447-D449 VanDerWaalsContact C-N 3.29Å; N447-D449 PolarHBondContact O-N 2.84Å; N447-D449 PolarHBondContact OD1-N 2.85Å; N447-G450 PolarHBondContact O-N 3.3Å; N447-G450 VanDerWaalsContact O-N 3.13Å; N447-G450 PolarHBondContact OD1-N 3.36Å; N447-Y451 WeakPolarHBondContact O-CD2 3.42Å; N447-Y451 PolarHBondContact O-N 2.9Å
448	V	89.1	Confident	90.7	Very high	29 Å²	29	44.7 Å²	44.7	18%	0.176	23%	0.23	C	C	.	.	H	α-helix	trans	-54.9	-45	-177	176.8	0	0	0	0	111.8	G450 Y451 L452 L489	V448-G450 VanDerWaalsContact C-N 3.33Å; V448-G450 PolarHBondContact O-N 3.02Å; V448-Y451 PolarHBondContact O-N 2.73Å; V448-L452 HydrophobicContact CG1-CD1 4.2Å; V448-L452 WeakPolarHBondContact O-CG 3.25Å; V448-L452 PolarHBondContact O-N 2.93Å; V448-L489 HydrophobicContact CG1-CD1 4.06Å
449	D	90.6	Very high	90.6	Very high	96 Å²	96	44.6 Å²	44.6	51%	0.513	23%	0.229	S	C	.	.	H	α-helix	trans	-63.4	-37.9	-179.7	-58.5	-37.2	0	0	0	112.4	N447 Y451 L452 Q453	N447-D449 VanDerWaalsContact C-N 3.29Å; N447-D449 PolarHBondContact O-N 2.84Å; N447-D449 PolarHBondContact OD1-N 2.85Å; D449-Y451 VanDerWaalsContact C-N 3.34Å; D449-Y451 PolarHBondContact O-N 2.85Å; D449-L452 PolarHBondContact O-N 3.11Å; D449-Q453 WeakPolarHBondContact O-CB 3.4Å; D449-Q453 VanDerWaalsContact O-CG 3.31Å; D449-Q453 WeakPolarHBondContact O-CG 3.38Å; D449-Q453 PolarHBondContact O-N 3.49Å
450	G	91.1	Very high	90.4	Very high	2 Å²	2	47.9 Å²	47.9	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-64.7	-36.6	176.5	0	0	0	0	0	112.9	N447 V448 L454	N447-G450 PolarHBondContact O-N 3.3Å; N447-G450 VanDerWaalsContact O-N 3.13Å; N447-G450 PolarHBondContact OD1-N 3.36Å; V448-G450 VanDerWaalsContact C-N 3.33Å; V448-G450 PolarHBondContact O-N 3.02Å; G450-L454 WeakPolarHBondContact O-CB 3.29Å; G450-L454 PolarHBondContact O-N 3.21Å
451	Y	91.4	Very high	90.1	Very high	7 Å²	7	51.1 Å²	51.1	3%	0.027	27%	0.272	C	S	.	.	H	α-helix	trans	-71.5	-36.5	173.6	-70.8	-72.7	0	0	0	112.5	M408 V420 V443 N447 V448 D449 L454 L455 I481 I485 L489	M408-Y451 HydrophobicContact CE-CD1 3.92Å; V420-Y451 HydrophobicContact CG2-CE1 3.97Å; V443-Y451 HydrophobicContact CG2-CD1 4.22Å; V443-Y451 HydrophobicContact CG2-CE1 3.83Å; N447-Y451 WeakPolarHBondContact O-CD2 3.42Å; N447-Y451 PolarHBondContact O-N 2.9Å; V448-Y451 PolarHBondContact O-N 2.73Å; D449-Y451 VanDerWaalsContact C-N 3.34Å; D449-Y451 PolarHBondContact O-N 2.85Å; Y451-L454 WeakPolarHBondContact O-CB 3.2Å; Y451-L454 PolarHBondContact O-N 2.85Å; Y451-L455 PolarHBondContact O-N 3.11Å; Y451-I481 HydrophobicContact CD1-CD1 4.46Å; Y451-I481 HydrophobicContact CE1-CD1 3.8Å; Y451-I481 HydrophobicContact CE1-CG1 4.07Å; Y451-I485 HydrophobicContact CD2-CG2 4.13Å; Y451-I485 HydrophobicContact CE2-CG2 3.82Å; Y451-L489 HydrophobicContact CG-CD2 4.47Å
452	L	91.2	Very high	89.8	Confident	41 Å²	41	51 Å²	51	22%	0.215	27%	0.272	C	S	.	.	H	α-helix	trans	-65.7	-45.1	174.1	-67.4	175.3	0	0	0	111.6	V448 D449 L454 L455 D456 L489 V493	V448-L452 HydrophobicContact CG1-CD1 4.2Å; V448-L452 WeakPolarHBondContact O-CG 3.25Å; V448-L452 PolarHBondContact O-N 2.93Å; D449-L452 PolarHBondContact O-N 3.11Å; L452-L454 PolarHBondContact O-N 3.05Å; L452-L455 HydrophobicContact CD2-CD1 4.49Å; L452-L455 WeakPolarHBondContact O-CB 3.32Å; L452-L455 PolarHBondContact O-N 2.75Å; L452-L455 VanDerWaalsContact O-N 3.15Å; L452-D456 PolarHBondContact O-N 2.71Å; L452-D456 VanDerWaalsContact O-N 3.15Å; L452-L489 HydrophobicContact CD2-CD1 3.9Å; L452-L489 HydrophobicContact CG-CD1 4.12Å; L452-V493 HydrophobicContact CD2-CG2 3.72Å
453	Q	91.9	Very high	89.6	Confident	109 Å²	109	48.4 Å²	48.4	51%	0.509	28%	0.282	S	S	.	.	H	α-helix	trans	-63.3	-30.4	173.3	-71	174.7	11.5	0	0	112.5	D449 R457	D449-Q453 WeakPolarHBondContact O-CB 3.4Å; D449-Q453 VanDerWaalsContact O-CG 3.31Å; D449-Q453 WeakPolarHBondContact O-CG 3.38Å; D449-Q453 PolarHBondContact O-N 3.49Å; Q453-R457 WeakPolarHBondContact O-CB 3.45Å; Q453-R457 VanDerWaalsContact O-CG 3.3Å; Q453-R457 WeakPolarHBondContact O-CG 3.36Å; Q453-R457 PolarHBondContact O-N 3.04Å; Q453-R457 VanDerWaalsContact O-N 3.11Å; Q453-R457 PolarHBondContact O-NE 2.86Å; Q453-R457 VanDerWaalsContact O-NE 3.17Å
454	L	93.3	Very high	89.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-66.7	-42.5	173.7	-173.8	146.7	0	0	0	111.3	M408 V420 V422 E441 V443 G450 Y451 L452 R457 A458	M408-L454 HydrophobicContact CE-CD2 3.75Å; V420-L454 HydrophobicContact CB-CD1 3.8Å; V420-L454 HydrophobicContact CB-CD2 4.17Å; V420-L454 HydrophobicContact CG1-CD2 4.11Å; V420-L454 HydrophobicContact CG2-CD1 4.03Å; V422-L454 HydrophobicContact CG2-CD2 3.63Å; E441-L454 HydrophobicContact CB-CD1 3.62Å; E441-L454 HydrophobicContact CB-CD2 3.95Å; E441-L454 HydrophobicContact CB-CG 3.51Å; E441-L454 HydrophobicContact CG-CD2 4.43Å; E441-L454 HydrophobicContact CG-CG 4.23Å; V443-L454 HydrophobicContact CB-CD1 4.34Å; V443-L454 HydrophobicContact CG2-CD1 3.36Å; G450-L454 WeakPolarHBondContact O-CB 3.29Å; G450-L454 PolarHBondContact O-N 3.21Å; Y451-L454 WeakPolarHBondContact O-CB 3.2Å; Y451-L454 PolarHBondContact O-N 2.85Å; L452-L454 PolarHBondContact O-N 3.05Å; L454-R457 PolarHBondContact O-N 3.08Å; L454-A458 WeakPolarHBondContact O-CB 3.36Å; L454-A458 PolarHBondContact O-N 2.99Å
455	L	92.3	Very high	89.9	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.016	29%	0.285	C	S	.	.	H	α-helix	trans	-58.5	-48.5	174.6	-74.4	171	0	0	0	111	V406 M408 Y451 L452 R457 A458 F459	V406-L455 HydrophobicContact CG1-CD2 3.84Å; M408-L455 HydrophobicContact CE-CD2 4.12Å; M408-L455 HydrophobicContact CE-CG 4.02Å; M408-L455 HydrophobicContact CG-CD2 4.04Å; M408-L455 HydrophobicContact SD-CD1 4.06Å; M408-L455 HydrophobicContact SD-CD2 3.69Å; M408-L455 HydrophobicContact SD-CG 3.88Å; Y451-L455 PolarHBondContact O-N 3.11Å; L452-L455 HydrophobicContact CD2-CD1 4.49Å; L452-L455 WeakPolarHBondContact O-CB 3.32Å; L452-L455 PolarHBondContact O-N 2.75Å; L452-L455 VanDerWaalsContact O-N 3.15Å; L455-R457 VanDerWaalsContact C-N 3.3Å; L455-R457 PolarHBondContact O-N 2.96Å; L455-A458 PolarHBondContact O-N 2.71Å; L455-F459 VanDerWaalsContact O-CD2 3.32Å; L455-F459 WeakPolarHBondContact O-CD2 3.42Å; L455-F459 PolarHBondContact O-N 2.99Å
456	D	91.4	Very high	90	Very high	64 Å²	64	47.5 Å²	47.5	34%	0.342	26%	0.261	S	S	.	.	H	α-helix	trans	-59.9	-41.3	178.4	-73.6	-37.6	0	0	0	112.3	L452 S460	L452-D456 PolarHBondContact O-N 2.71Å; L452-D456 VanDerWaalsContact O-N 3.15Å; D456-S460 WeakPolarHBondContact O-CB 3.48Å; D456-S460 PolarHBondContact O-N 3.15Å; D456-S460 VanDerWaalsContact O-N 3.07Å; D456-S460 PolarHBondContact O-OG 2.99Å
457	R	92.4	Very high	90.1	Very high	82 Å²	82	49 Å²	49	31%	0.309	26%	0.26	S	S	.	.	H	α-helix	trans	-65.1	-43.9	176.9	-75.3	-179.1	-70.6	171.1	8.3	112.4	R442 S444 Q453 L454 L455 F459 S460 V461	R442-R457 PolarHBondContact O-NH2 2.9Å; R442-R457 VanDerWaalsContact O-NH2 3.1Å; S444-R457 PolarHBondContact OG-NH1 3.21Å; Q453-R457 WeakPolarHBondContact O-CB 3.45Å; Q453-R457 VanDerWaalsContact O-CG 3.3Å; Q453-R457 WeakPolarHBondContact O-CG 3.36Å; Q453-R457 PolarHBondContact O-N 3.04Å; Q453-R457 VanDerWaalsContact O-N 3.11Å; Q453-R457 PolarHBondContact O-NE 2.86Å; Q453-R457 VanDerWaalsContact O-NE 3.17Å; L454-R457 PolarHBondContact O-N 3.08Å; L455-R457 VanDerWaalsContact C-N 3.3Å; L455-R457 PolarHBondContact O-N 2.96Å; R457-F459 VanDerWaalsContact C-N 3.3Å; R457-F459 PolarHBondContact O-N 3.24Å; R457-S460 WeakPolarHBondContact O-CB 3.33Å; R457-S460 PolarHBondContact O-N 3.32Å; R457-S460 VanDerWaalsContact O-N 3.08Å; R457-V461 PolarHBondContact O-N 2.62Å
458	A	94	Very high	90	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.1	-41.9	-178.9	0	0	0	0	0	112.4	V422 L438 S439 E441 L454 L455	V422-A458 HydrophobicContact CB-CB 4.14Å; V422-A458 HydrophobicContact CG1-CB 4.26Å; V422-A458 HydrophobicContact CG2-CB 3.87Å; L438-A458 HydrophobicContact CD2-CB 4.11Å; S439-A458 VanDerWaalsContact OG-CA 3.29Å; S439-A458 WeakPolarHBondContact OG-CA 3.31Å; S439-A458 VanDerWaalsContact OG-CB 3.26Å; S439-A458 WeakPolarHBondContact OG-CB 3.14Å; E441-A458 HydrophobicContact CG-CB 4.03Å; L454-A458 WeakPolarHBondContact O-CB 3.36Å; L454-A458 PolarHBondContact O-N 2.99Å; L455-A458 PolarHBondContact O-N 2.71Å
459	F	93.4	Very high	89.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-76.2	-31.6	176.4	-77.1	-97.8	0	0	0	112.7	M398 V406 L438 L455 R457 V461 L462 L464 F466 L469	M398-F459 HydrophobicContact CE-CD1 3.87Å; M398-F459 HydrophobicContact CE-CE1 3.48Å; M398-F459 VanDerWaalsContact CE-CE1 3.48Å; V406-F459 HydrophobicContact CG2-CE2 3.99Å; V406-F459 HydrophobicContact CG2-CZ 3.61Å; L438-F459 HydrophobicContact CD2-CD1 4.25Å; L438-F459 HydrophobicContact CD2-CD2 3.78Å; L438-F459 HydrophobicContact CD2-CE1 4.16Å; L438-F459 HydrophobicContact CD2-CE2 3.67Å; L438-F459 HydrophobicContact CD2-CG 4.09Å; L438-F459 HydrophobicContact CD2-CZ 3.88Å; L455-F459 VanDerWaalsContact O-CD2 3.32Å; L455-F459 WeakPolarHBondContact O-CD2 3.42Å; L455-F459 PolarHBondContact O-N 2.99Å; R457-F459 VanDerWaalsContact C-N 3.3Å; R457-F459 PolarHBondContact O-N 3.24Å; F459-V461 PolarHBondContact O-N 3.1Å; F459-L462 PolarHBondContact O-N 3.14Å; F459-L464 CarbonylContact C-O 3.54Å; F459-L464 HydrophobicContact CB-CB 4.45Å; F459-L464 PolarHBondContact O-N 3.17Å; F459-L464 VanDerWaalsContact O-N 3.14Å; F459-L464 VanDerWaalsContact O-O 3.07Å; F459-F466 HydrophobicContact CD2-CB 4.37Å; F459-F466 AromaticContact CD2-CD2 3.87Å; F459-F466 HydrophobicContact CD2-CD2 3.87Å; F459-F466 AromaticContact CE2-CD2 3.59Å; F459-F466 HydrophobicContact CE2-CD2 3.59Å; F459-F466 HydrophobicContact CE2-CE2 4.16Å; F459-F466 HydrophobicContact CG-CB 4.47Å; F459-F466 AromaticContact CZ-CD2 4Å; F459-F466 HydrophobicContact CZ-CD2 4Å; F459-F466 HydrophobicContact CZ-CE2 4.43Å; F459-L469 HydrophobicContact CD1-CD1 3.42Å; F459-L469 VanDerWaalsContact CD1-CD1 3.42Å; F459-L469 HydrophobicContact CE1-CD1 3.46Å; F459-L469 VanDerWaalsContact CE1-CD1 3.46Å
460	S	91.6	Very high	89.8	Confident	69 Å²	69	48.8 Å²	48.8	48%	0.483	26%	0.257	S	S	.	.	H	α-helix	trans	-62.4	-26.4	177.8	-62.8	0	0	0	0	112.6	D456 R457 L462 G463 L464	D456-S460 WeakPolarHBondContact O-CB 3.48Å; D456-S460 PolarHBondContact O-N 3.15Å; D456-S460 VanDerWaalsContact O-N 3.07Å; D456-S460 PolarHBondContact O-OG 2.99Å; R457-S460 WeakPolarHBondContact O-CB 3.33Å; R457-S460 PolarHBondContact O-N 3.32Å; R457-S460 VanDerWaalsContact O-N 3.08Å; S460-L462 PolarHBondContact O-N 3.15Å; S460-G463 PolarHBondContact O-N 3.11Å; S460-L464 WeakPolarHBondContact CA-O 3.32Å; S460-L464 PolarHBondContact N-O 3.33Å
461	V	88.3	Confident	89.9	Confident	67 Å²	67	48.9 Å²	48.9	41%	0.406	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-33.1	173	176.5	0	0	0	0	111.9	E441 R457 F459	E441-V461 WeakPolarHBondContact OE1-CG2 3.5Å; R457-V461 PolarHBondContact O-N 2.62Å; F459-V461 PolarHBondContact O-N 3.1Å
462	L	87.8	Confident	89.9	Confident	20 Å²	20	48.5 Å²	48.5	11%	0.105	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	5.7	176	-61.7	-171.5	0	0	0	113.5	K391 L394 A395 M398 L438 F459 S460 L464	K391-L462 HydrophobicContact CB-CD2 3.51Å; K391-L462 HydrophobicContact CD-CD2 4.48Å; K391-L462 HydrophobicContact CG-CD2 3.86Å; K391-L462 WeakPolarHBondContact O-CD2 3.13Å; L394-L462 HydrophobicContact CD2-CD1 4.17Å; L394-L462 HydrophobicContact CG-CD1 4.17Å; A395-L462 HydrophobicContact CB-CB 4.25Å; A395-L462 HydrophobicContact CB-CD1 4.19Å; M398-L462 HydrophobicContact SD-CD1 3.78Å; L438-L462 HydrophobicContact CD1-CD1 3.25Å; L438-L462 HydrophobicContact CD1-CG 3.79Å; F459-L462 PolarHBondContact O-N 3.14Å; S460-L462 PolarHBondContact O-N 3.15Å; L462-L464 HydrophobicContact CB-CD1 4.14Å; L462-L464 HydrophobicContact CB-CG 4.17Å; L462-L464 HydrophobicContact CD1-CD1 4.42Å; L462-L464 PolarHBondContact O-N 3.15Å
463	G	86.4	Confident	90	Very high	65 Å²	65	46.6 Å²	46.6	67%	0.67	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.6	25.4	-171.6	0	0	0	0	0	113.2	S460	S460-G463 PolarHBondContact O-N 3.11Å
464	L	89	Confident	90.2	Very high	16 Å²	16	41.5 Å²	41.5	8%	0.084	22%	0.222	C	C	.	.			trans	-108.7	151.7	177.5	-63.3	175.7	0	0	0	110	A395 M398 F459 S460 L462 L469	A395-L464 HydrophobicContact CB-CD1 4.4Å; M398-L464 HydrophobicContact CE-CD1 3.82Å; M398-L464 HydrophobicContact SD-CD1 4.29Å; F459-L464 CarbonylContact C-O 3.54Å; F459-L464 HydrophobicContact CB-CB 4.45Å; F459-L464 PolarHBondContact O-N 3.17Å; F459-L464 VanDerWaalsContact O-N 3.14Å; F459-L464 VanDerWaalsContact O-O 3.07Å; S460-L464 WeakPolarHBondContact CA-O 3.32Å; S460-L464 PolarHBondContact N-O 3.33Å; L462-L464 HydrophobicContact CB-CD1 4.14Å; L462-L464 HydrophobicContact CB-CG 4.17Å; L462-L464 HydrophobicContact CD1-CD1 4.42Å; L462-L464 PolarHBondContact O-N 3.15Å; L464-L469 HydrophobicContact CB-CD1 4.3Å; L464-L469 HydrophobicContact CD1-CD1 4.23Å
465	R	88	Confident	90.2	Very high	149 Å²	149	41.5 Å²	41.5	56%	0.562	22%	0.222	S	C	*	.			trans	-106.8	134.6	170.1	-57.3	-172.5	-61.7	166.9	5.5	108.9	Q467 D468	R465-Q467 PolarHBondContact O-N 3.27Å; R465-D468 HydrophobicContact CB-CB 4.45Å; R465-D468 IonicContact CZ-OD1 3.13Å; R465-D468 IonicContact CZ-OD2 3.42Å; R465-D468 VanDerWaalsContact CZ-OD2 3.25Å; R465-D468 IonicContact NE-OD1 3.77Å; R465-D468 IonicContact NE-OD2 3.67Å; R465-D468 PolarHBondContact NE-OD2 3.48Å; R465-D468 IonicContact NH2-OD1 3.81Å; R465-D468 PolarHBondContact NH2-OD1 2.9Å; R465-D468 IonicContact NH2-OD2 3.84Å; R465-D468 PolarHBondContact NH2-OD2 3.19Å; R465-D468 PolarHBondContact O-N 2.98Å; R465-D468 VanDerWaalsContact O-N 3.08Å
466	F	86.8	Confident	90.1	Very high	16 Å²	16	41.4 Å²	41.4	7%	0.07	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-54.3	-39.3	178.8	-178.8	-97.7	0	0	0	112.1	V406 F459 D468 L469 V471 F497 I500	V406-F466 HydrophobicContact CG2-CE2 4.17Å; F459-F466 HydrophobicContact CD2-CB 4.37Å; F459-F466 AromaticContact CD2-CD2 3.87Å; F459-F466 HydrophobicContact CD2-CD2 3.87Å; F459-F466 AromaticContact CE2-CD2 3.59Å; F459-F466 HydrophobicContact CE2-CD2 3.59Å; F459-F466 HydrophobicContact CE2-CE2 4.16Å; F459-F466 HydrophobicContact CG-CB 4.47Å; F459-F466 AromaticContact CZ-CD2 4Å; F459-F466 HydrophobicContact CZ-CD2 4Å; F459-F466 HydrophobicContact CZ-CE2 4.43Å; F466-D468 VanDerWaalsContact C-N 3.3Å; F466-D468 PolarHBondContact O-N 3.04Å; F466-L469 PolarHBondContact O-N 2.75Å; F466-V471 HydrophobicContact CD2-CG2 4.27Å; F466-V471 HydrophobicContact CE2-CB 4.31Å; F466-V471 HydrophobicContact CE2-CG1 4.3Å; F466-V471 HydrophobicContact CE2-CG2 3.75Å; F466-V471 HydrophobicContact CZ-CB 4.2Å; F466-V471 HydrophobicContact CZ-CG1 4.24Å; F466-V471 HydrophobicContact CZ-CG2 4.08Å; F466-F497 HydrophobicContact CD1-CE2 4.12Å; F466-F497 HydrophobicContact CD1-CZ 4.14Å; F466-F497 HydrophobicContact CE1-CD2 4.15Å; F466-F497 AromaticContact CE1-CE2 3.65Å; F466-F497 HydrophobicContact CE1-CE2 3.65Å; F466-F497 HydrophobicContact CE1-CZ 4.03Å; F466-I500 HydrophobicContact CZ-CD1 4.32Å
467	Q	85	Confident	90	Very high	129 Å²	129	38.5 Å²	38.5	60%	0.603	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-68.5	-22.9	-178.8	-61.3	171.7	30.8	0	0	114.5	R465 L469 F497	R465-Q467 PolarHBondContact O-N 3.27Å; Q467-L469 VanDerWaalsContact C-N 3.3Å; Q467-F497 HydrophobicContact CG-CZ 4.16Å
468	D	85.2	Confident	89.3	Confident	100 Å²	100	34.8 Å²	34.8	54%	0.535	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-84.2	-11.6	-179.8	-66.6	-24	0	0	0	112.1	R465 F466	R465-D468 HydrophobicContact CB-CB 4.45Å; R465-D468 IonicContact CZ-OD1 3.13Å; R465-D468 IonicContact CZ-OD2 3.42Å; R465-D468 VanDerWaalsContact CZ-OD2 3.25Å; R465-D468 IonicContact NE-OD1 3.77Å; R465-D468 IonicContact NE-OD2 3.67Å; R465-D468 PolarHBondContact NE-OD2 3.48Å; R465-D468 IonicContact NH2-OD1 3.81Å; R465-D468 PolarHBondContact NH2-OD1 2.9Å; R465-D468 IonicContact NH2-OD2 3.84Å; R465-D468 PolarHBondContact NH2-OD2 3.19Å; R465-D468 PolarHBondContact O-N 2.98Å; R465-D468 VanDerWaalsContact O-N 3.08Å; F466-D468 VanDerWaalsContact C-N 3.3Å; F466-D468 PolarHBondContact O-N 3.04Å
469	L	85.8	Confident	88.1	Confident	31 Å²	31	35.1 Å²	35.1	16%	0.162	20%	0.195	C	C	.	.	S	Bend	trans	-103.7	141.8	-175.6	-62.4	172.6	0	0	0	110.5	M398 L404 F459 L464 F466 Q467 V471	M398-L469 HydrophobicContact CE-CD1 3.96Å; L404-L469 HydrophobicContact CD1-CB 3.98Å; L404-L469 HydrophobicContact CD1-CD1 3.9Å; L404-L469 HydrophobicContact CD1-CD2 4.17Å; L404-L469 HydrophobicContact CD1-CG 4.24Å; F459-L469 HydrophobicContact CD1-CD1 3.42Å; F459-L469 VanDerWaalsContact CD1-CD1 3.42Å; F459-L469 HydrophobicContact CE1-CD1 3.46Å; F459-L469 VanDerWaalsContact CE1-CD1 3.46Å; L464-L469 HydrophobicContact CB-CD1 4.3Å; L464-L469 HydrophobicContact CD1-CD1 4.23Å; F466-L469 PolarHBondContact O-N 2.75Å; Q467-L469 VanDerWaalsContact C-N 3.3Å; L469-V471 VanDerWaalsContact C-N 3.35Å; L469-V471 HydrophobicContact CB-CG2 4.43Å; L469-V471 PolarHBondContact O-N 2.64Å
470	L	88.9	Confident	87.1	Confident	54 Å²	54	37 Å²	37	28%	0.283	21%	0.205	S	C	.	.			trans	-84	80.7	179.6	-162.1	59.7	0	0	0	110.7	F403 L404 I764	F403-L470 WeakPolarHBondContact CA-O 3.46Å; F403-L470 HydrophobicContact CD1-CD2 3.51Å; F403-L470 HydrophobicContact CD1-CG 3.86Å; F403-L470 HydrophobicContact CE1-CD2 3.37Å; F403-L470 HydrophobicContact CE1-CG 4.15Å; F403-L470 HydrophobicContact CZ-CD2 4.49Å; L404-L470 PolarHBondContact N-O 3.09Å; L470-I764 HydrophobicContact CD1-CG2 3.71Å; L470-I764 HydrophobicContact CD2-CG2 3.89Å; L470-I764 HydrophobicContact CG-CG2 4.03Å
471	V	92.9	Very high	86.6	Confident	4 Å²	4	33.8 Å²	33.8	2%	0.024	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	128.2	175.4	-176.3	0	0	0	0	109.6	L404 V406 F466 L469 W499 I500	L404-V471 HydrophobicContact CB-CG2 4.39Å; L404-V471 CarbonylContact O-C 3.54Å; L404-V471 VanDerWaalsContact O-CA 3.26Å; L404-V471 WeakPolarHBondContact O-CA 3.35Å; V406-V471 HydrophobicContact CG2-CG1 4.1Å; V406-V471 HydrophobicContact CG2-CG2 4.45Å; F466-V471 HydrophobicContact CD2-CG2 4.27Å; F466-V471 HydrophobicContact CE2-CB 4.31Å; F466-V471 HydrophobicContact CE2-CG1 4.3Å; F466-V471 HydrophobicContact CE2-CG2 3.75Å; F466-V471 HydrophobicContact CZ-CB 4.2Å; F466-V471 HydrophobicContact CZ-CG1 4.24Å; F466-V471 HydrophobicContact CZ-CG2 4.08Å; L469-V471 VanDerWaalsContact C-N 3.35Å; L469-V471 HydrophobicContact CB-CG2 4.43Å; L469-V471 PolarHBondContact O-N 2.64Å; V471-W499 PolarHBondContact O-NE1 3.04Å; V471-I500 HydrophobicContact CB-CD1 4.32Å; V471-I500 HydrophobicContact CG1-CD1 4.23Å; V471-I500 WeakPolarHBondContact O-CG1 3.36Å
472	V	92.7	Very high	86.2	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	-19.6	-178.1	-62.5	0	0	0	0	113.1	F403 L404 L501 I764 V819 V822 L823	F403-V472 HydrophobicContact CB-CG1 4.06Å; F403-V472 HydrophobicContact CB-CG2 3.98Å; F403-V472 HydrophobicContact CD1-CG1 3.51Å; F403-V472 HydrophobicContact CE1-CG1 4.31Å; F403-V472 HydrophobicContact CG-CG1 4.07Å; L404-V472 WeakPolarHBondContact O-CG2 3.5Å; L404-V472 PolarHBondContact O-N 2.87Å; V472-L501 PolarHBondContact O-N 2.6Å; V472-I764 HydrophobicContact CG1-CD1 3.91Å; V472-V819 HydrophobicContact CB-CG1 4.28Å; V472-V819 HydrophobicContact CG2-CG1 4.16Å; V472-V822 HydrophobicContact CG2-CG1 4.27Å; V472-L823 HydrophobicContact CG2-CD2 4.33Å
473	G	93.6	Very high	85.9	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	141.5	-178.4	0	0	0	0	0	113.2	S405 V406 L501	S405-G473 CarbonylContact C-O 3.59Å; S405-G473 VanDerWaalsContact CA-O 3.25Å; S405-G473 WeakPolarHBondContact CA-O 3.42Å; S405-G473 WeakPolarHBondContact CB-O 3.33Å; S405-G473 WeakPolarHBondContact OG-CA 3.47Å; S405-G473 PolarHBondContact OG-N 2.87Å; V406-G473 PolarHBondContact N-O 2.87Å; G473-L501 CarbonylContact C-O 3.46Å; G473-L501 WeakPolarHBondContact CA-O 3.08Å
474	L	94.8	Very high	85.9	Confident	3 Å²	3	32.6 Å²	32.6	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	123.7	173.8	179.5	65.1	0	0	0	110.5	V406 M408 V476 Y490 V493 I500 L501 C502 L503	V406-L474 HydrophobicContact CB-CD1 4.19Å; V406-L474 HydrophobicContact CG1-CD1 4.38Å; V406-L474 CarbonylContact O-C 3.57Å; V406-L474 WeakPolarHBondContact O-CA 3.42Å; M408-L474 HydrophobicContact CG-CD1 4.46Å; M408-L474 HydrophobicContact SD-CD1 4.36Å; L474-V476 HydrophobicContact CD1-CG2 4.16Å; L474-V476 HydrophobicContact CD2-CG2 4.35Å; L474-V476 HydrophobicContact CG-CG2 4.08Å; L474-Y490 HydrophobicContact CD2-CD1 4.32Å; L474-Y490 HydrophobicContact CD2-CE1 4.41Å; L474-V493 HydrophobicContact CD2-CB 4.26Å; L474-V493 HydrophobicContact CD2-CG1 4.04Å; L474-V493 HydrophobicContact CD2-CG2 3.86Å; L474-I500 HydrophobicContact CB-CG2 3.77Å; L474-L501 PolarHBondContact N-O 3.18Å; L474-C502 CarbonylContact O-C 3.57Å; L474-C502 VanDerWaalsContact O-CA 3.3Å; L474-C502 WeakPolarHBondContact O-CA 3.26Å; L474-L503 PolarHBondContact O-N 3.33Å
475	G	93.5	Very high	85.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137.5	169.1	0	0	0	0	0	110.2	V406 I407 M408	V406-G475 PolarHBondContact O-N 2.77Å; I407-G475 CarbonylContact C-O 3.36Å; I407-G475 WeakPolarHBondContact CA-O 3.43Å; M408-G475 PolarHBondContact N-O 2.91Å
476	V	91.3	Very high	85.9	Confident	0 Å²	0	27 Å²	27	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	125.1	176.7	-179.9	0	0	0	0	109.1	M408 L474 I481 R486 L489 Y490	M408-V476 HydrophobicContact CB-CG1 4.45Å; M408-V476 HydrophobicContact CB-CG2 4.21Å; M408-V476 HydrophobicContact CG-CG2 4.38Å; M408-V476 WeakPolarHBondContact O-CA 3.42Å; M408-V476 HydrophobicContact SD-CG2 4.04Å; L474-V476 HydrophobicContact CD1-CG2 4.16Å; L474-V476 HydrophobicContact CD2-CG2 4.35Å; L474-V476 HydrophobicContact CG-CG2 4.08Å; V476-I481 HydrophobicContact CG1-CD1 3.31Å; V476-I481 HydrophobicContact CG1-CG2 4.11Å; V476-R486 HydrophobicContact CB-CG 4.47Å; V476-R486 VanDerWaalsContact O-CD 3.31Å; V476-R486 WeakPolarHBondContact O-CD 3.26Å; V476-L489 HydrophobicContact CG1-CD2 4.35Å; V476-L489 HydrophobicContact CG2-CD2 3.93Å; V476-Y490 HydrophobicContact CB-CE1 4.02Å; V476-Y490 HydrophobicContact CG2-CE1 3.78Å; V476-Y490 PolarHBondContact N-OH 2.81Å
477	D	88.1	Confident	86	Confident	4 Å²	4	27.7 Å²	27.7	2%	0.021	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	167.8	174.5	-158.5	30	0	0	0	111.9	M408 A410 I505 I507 R719	M408-D477 PolarHBondContact O-N 3.16Å; A410-D477 PolarHBondContact N-O 3.38Å; D477-I505 HydrophobicContact CB-CD1 3.96Å; D477-I505 HydrophobicContact CB-CG1 4.03Å; D477-I507 HydrophobicContact CB-CD1 3.98Å; D477-I507 HydrophobicContact CB-CG1 4.04Å; D477-I507 PolarHBondContact OD2-N 2.91Å; D477-R719 IonicContact OD1-CZ 2.76Å; D477-R719 IonicContact OD1-NH1 3.91Å; D477-R719 PolarHBondContact OD1-NH1 3.21Å; D477-R719 IonicContact OD1-NH2 3.63Å; D477-R719 PolarHBondContact OD1-NH2 3.39Å
478	G	78.4	Confident	86.2	Confident	3 Å²	3	24.3 Å²	24.3	3%	0.031	16%	0.158	C	C	.	.			trans	126	147.4	176.1	0	0	0	0	0	112.8	A410 N480 I481	A410-G478 WeakPolarHBondContact O-CA 3.41Å; G478-N480 PolarHBondContact O-N 3.48Å; G478-I481 PolarHBondContact O-N 3.46Å; G478-I481 VanDerWaalsContact O-N 3.1Å
479	T	68.1	Low	86.5	Confident	7 Å²	7	19.6 Å²	19.6	4%	0.043	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-16.4	-167.5	55.1	0	0	0	0	114.2	N412 L512 R571	N412-T479 HydrophobicContact CB-CG2 4.3Å; N412-T479 WeakPolarHBondContact CB-OG1 3.3Å; N412-T479 WeakPolarHBondContact ND2-CG2 3.48Å; N412-T479 PolarHBondContact OD1-N 2.93Å; N412-T479 PolarHBondContact OD1-OG1 3.48Å; T479-L512 HydrophobicContact CG2-CB 3.54Å; T479-L512 HydrophobicContact CG2-CD1 3.84Å; T479-L512 HydrophobicContact CG2-CG 4.33Å; T479-R571 PolarHBondContact O-NH2 3.34Å; T479-R571 VanDerWaalsContact O-NH2 3.09Å
480	N	72.1	Confident	86.8	Confident	40 Å²	40	18.6 Å²	18.6	21%	0.214	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-13.2	175.4	-64.7	-15.9	0	0	0	112.6	Q411 S417 G478 S482 R571	Q411-N480 PolarHBondContact O-ND2 3.03Å; S417-N480 WeakPolarHBondContact CA-ND2 3.4Å; S417-N480 WeakPolarHBondContact CB-ND2 3.33Å; S417-N480 PolarHBondContact O-ND2 2.72Å; G478-N480 PolarHBondContact O-N 3.48Å; N480-S482 PolarHBondContact O-N 3.26Å; N480-R571 PolarHBondContact OD1-NH1 3.12Å
481	I	81.4	Confident	87	Confident	1 Å²	1	21.4 Å²	21.4	1%	0.005	14%	0.141	C	C	.	.	S	Bend	trans	-94.9	98.7	175.3	-54.3	-178.2	0	0	0	107.7	A410 Y451 V476 G478 I485 R486	A410-I481 HydrophobicContact CB-CD1 3.73Å; A410-I481 HydrophobicContact CB-CG1 3.75Å; Y451-I481 HydrophobicContact CD1-CD1 4.46Å; Y451-I481 HydrophobicContact CE1-CD1 3.8Å; Y451-I481 HydrophobicContact CE1-CG1 4.07Å; V476-I481 HydrophobicContact CG1-CD1 3.31Å; V476-I481 HydrophobicContact CG1-CG2 4.11Å; G478-I481 PolarHBondContact O-N 3.46Å; G478-I481 VanDerWaalsContact O-N 3.1Å; I481-I485 HydrophobicContact CG2-CB 4.3Å; I481-I485 HydrophobicContact CG2-CG2 4.08Å; I481-R486 HydrophobicContact CG2-CB 3.87Å
482	S	81	Confident	87	Confident	56 Å²	56	22.8 Å²	22.8	39%	0.392	15%	0.151	S	C	.	.			trans	-63.1	156.4	175.5	69.8	0	0	0	0	111.6	N480 G484 I485 R486	N480-S482 PolarHBondContact O-N 3.26Å; S482-G484 PolarHBondContact O-N 3.38Å; S482-G484 VanDerWaalsContact O-N 3.16Å; S482-I485 PolarHBondContact O-N 2.99Å; S482-I485 WeakPolarHBondContact OG-CG1 3.36Å; S482-I485 PolarHBondContact OG-N 3.38Å; S482-R486 PolarHBondContact O-N 2.97Å
483	S	81.9	Confident	86.9	Confident	32 Å²	32	22.9 Å²	22.9	22%	0.224	15%	0.151	C	C	.	.	H	α-helix	trans	-52.6	-37.6	175	61.1	0	0	0	0	112.6	G487	S483-G487 PolarHBondContact O-N 2.94Å
484	G	85	Confident	86.8	Confident	40 Å²	40	24.4 Å²	24.4	41%	0.412	16%	0.159	S	C	.	.	H	α-helix	trans	-66.8	-43.2	176.7	0	0	0	0	0	113.7	S482 S488	S482-G484 PolarHBondContact O-N 3.38Å; S482-G484 VanDerWaalsContact O-N 3.16Å; G484-S488 WeakPolarHBondContact O-CB 3.05Å; G484-S488 PolarHBondContact O-N 3.23Å; G484-S488 PolarHBondContact O-OG 3.07Å
485	I	87.6	Confident	86.7	Confident	42 Å²	42	32.9 Å²	32.9	22%	0.215	20%	0.195	C	C	.	.	H	α-helix	trans	-66.6	-44.3	176.6	-67.5	169.3	0	0	0	109.9	Y451 I481 S482 S488 L489	Y451-I485 HydrophobicContact CD2-CG2 4.13Å; Y451-I485 HydrophobicContact CE2-CG2 3.82Å; I481-I485 HydrophobicContact CG2-CB 4.3Å; I481-I485 HydrophobicContact CG2-CG2 4.08Å; S482-I485 PolarHBondContact O-N 2.99Å; S482-I485 WeakPolarHBondContact OG-CG1 3.36Å; S482-I485 PolarHBondContact OG-N 3.38Å; I485-S488 PolarHBondContact O-N 3.01Å; I485-L489 WeakPolarHBondContact O-CB 3.4Å; I485-L489 PolarHBondContact O-N 3.25Å
486	R	89.6	Confident	86.5	Confident	5 Å²	5	36.9 Å²	36.9	2%	0.019	22%	0.22	C	C	.	.	H	α-helix	trans	-60.4	-48.5	178.6	-175.3	159.3	49.8	99	6.6	112.2	V476 I481 S482 S488 L489 Y490 E513	V476-R486 HydrophobicContact CB-CG 4.47Å; V476-R486 VanDerWaalsContact O-CD 3.31Å; V476-R486 WeakPolarHBondContact O-CD 3.26Å; I481-R486 HydrophobicContact CG2-CB 3.87Å; S482-R486 PolarHBondContact O-N 2.97Å; R486-S488 VanDerWaalsContact C-N 3.33Å; R486-S488 PolarHBondContact O-N 3.47Å; R486-L489 PolarHBondContact O-N 3.45Å; R486-Y490 HydrophobicContact CG-CD2 4.34Å; R486-Y490 HydrophobicContact CG-CE1 4.12Å; R486-Y490 HydrophobicContact CG-CE2 3.72Å; R486-Y490 PolarHBondContact O-N 3.16Å; R486-E513 IonicContact CZ-OE1 3.24Å; R486-E513 IonicContact NE-OE1 2.9Å; R486-E513 IonicContact NH2-OE1 2.86Å; R486-E513 PolarHBondContact NH2-OE1 3.29Å; R486-E513 IonicContact NH2-OE2 3.47Å
487	G	88.5	Confident	86.5	Confident	30 Å²	30	38.7 Å²	38.7	31%	0.309	23%	0.228	S	C	.	.	H	α-helix	trans	-60.5	-42.3	175.2	0	0	0	0	0	112.4	S483 L489 Y490 I491	S483-G487 PolarHBondContact O-N 2.94Å; G487-L489 VanDerWaalsContact C-N 3.35Å; G487-L489 PolarHBondContact O-N 2.93Å; G487-Y490 PolarHBondContact O-N 3.21Å; G487-I491 VanDerWaalsContact O-CG1 3.3Å; G487-I491 WeakPolarHBondContact O-CG1 3.31Å; G487-I491 PolarHBondContact O-N 2.97Å
488	S	90.8	Very high	86.6	Confident	59 Å²	59	41.9 Å²	41.9	41%	0.413	25%	0.248	S	C	.	.	H	α-helix	trans	-66.5	-36.4	177.6	-56.4	0	0	0	0	112.5	G484 I485 R486 S492	G484-S488 WeakPolarHBondContact O-CB 3.05Å; G484-S488 PolarHBondContact O-N 3.23Å; G484-S488 PolarHBondContact O-OG 3.07Å; I485-S488 PolarHBondContact O-N 3.01Å; R486-S488 VanDerWaalsContact C-N 3.33Å; R486-S488 PolarHBondContact O-N 3.47Å; S488-S492 WeakPolarHBondContact O-CB 3.47Å; S488-S492 PolarHBondContact O-N 3.45Å
489	L	91.3	Very high	87.2	Confident	0 Å²	0	44 Å²	44	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65	-46.6	174.9	178.7	61.7	0	0	0	111.1	V448 Y451 L452 V476 I485 R486 G487 I491 S492 V493	V448-L489 HydrophobicContact CG1-CD1 4.06Å; Y451-L489 HydrophobicContact CG-CD2 4.47Å; L452-L489 HydrophobicContact CD2-CD1 3.9Å; L452-L489 HydrophobicContact CG-CD1 4.12Å; V476-L489 HydrophobicContact CG1-CD2 4.35Å; V476-L489 HydrophobicContact CG2-CD2 3.93Å; I485-L489 WeakPolarHBondContact O-CB 3.4Å; I485-L489 PolarHBondContact O-N 3.25Å; R486-L489 PolarHBondContact O-N 3.45Å; G487-L489 VanDerWaalsContact C-N 3.35Å; G487-L489 PolarHBondContact O-N 2.93Å; L489-I491 PolarHBondContact O-N 2.63Å; L489-S492 PolarHBondContact O-N 3.34Å; L489-V493 HydrophobicContact CD1-CG2 4.11Å; L489-V493 HydrophobicContact CG-CG2 4.46Å; L489-V493 WeakPolarHBondContact O-CG2 3.46Å; L489-V493 PolarHBondContact O-N 3.34Å
490	Y	92.1	Very high	88.4	Confident	10 Å²	10	43.8 Å²	43.8	4%	0.039	25%	0.254	C	S	.	.	H	α-helix	trans	-59.1	-45.6	176.2	-66.1	-13.9	0	0	0	111.9	L474 V476 R486 G487 S492 V493 Q494 C502	L474-Y490 HydrophobicContact CD2-CD1 4.32Å; L474-Y490 HydrophobicContact CD2-CE1 4.41Å; V476-Y490 HydrophobicContact CB-CE1 4.02Å; V476-Y490 HydrophobicContact CG2-CE1 3.78Å; V476-Y490 PolarHBondContact N-OH 2.81Å; R486-Y490 HydrophobicContact CG-CD2 4.34Å; R486-Y490 HydrophobicContact CG-CE1 4.12Å; R486-Y490 HydrophobicContact CG-CE2 3.72Å; R486-Y490 PolarHBondContact O-N 3.16Å; G487-Y490 PolarHBondContact O-N 3.21Å; Y490-S492 VanDerWaalsContact C-N 3.33Å; Y490-S492 PolarHBondContact O-N 3.26Å; Y490-V493 PolarHBondContact O-N 3.24Å; Y490-Q494 WeakPolarHBondContact O-CB 3.35Å; Y490-Q494 VanDerWaalsContact O-CG 3.29Å; Y490-Q494 WeakPolarHBondContact O-CG 3.41Å; Y490-Q494 PolarHBondContact O-N 3.41Å; Y490-C502 HydrophobicContact CD1-CB 3.67Å; Y490-C502 VanDerWaalsContact CD1-SG 3.5Å; Y490-C502 HydrophobicContact CD2-CB 3.64Å; Y490-C502 HydrophobicContact CE1-CB 3.93Å; Y490-C502 HydrophobicContact CE2-CB 3.91Å; Y490-C502 HydrophobicContact CG-CB 3.53Å
491	I	91.8	Very high	89.4	Confident	114 Å²	114	41.9 Å²	41.9	59%	0.585	24%	0.244	S	C	*	.	H	α-helix	trans	-60.1	-43.2	175.8	-67.4	165.5	0	0	0	111.3	G487 L489 K495	G487-I491 VanDerWaalsContact O-CG1 3.3Å; G487-I491 WeakPolarHBondContact O-CG1 3.31Å; G487-I491 PolarHBondContact O-N 2.97Å; L489-I491 PolarHBondContact O-N 2.63Å; I491-K495 VanDerWaalsContact O-CB 3.29Å; I491-K495 WeakPolarHBondContact O-CB 3.4Å; I491-K495 PolarHBondContact O-N 3.31Å
492	S	93.1	Very high	89.9	Confident	32 Å²	32	41.9 Å²	41.9	22%	0.224	24%	0.244	C	C	.	.	H	α-helix	trans	-67.2	-41.5	-179.7	-164.4	0	0	0	0	112.5	S488 L489 Y490 K495 T496	S488-S492 WeakPolarHBondContact O-CB 3.47Å; S488-S492 PolarHBondContact O-N 3.45Å; L489-S492 PolarHBondContact O-N 3.34Å; Y490-S492 VanDerWaalsContact C-N 3.33Å; Y490-S492 PolarHBondContact O-N 3.26Å; S492-K495 PolarHBondContact O-N 3.17Å; S492-T496 PolarHBondContact O-N 3.27Å; S492-T496 PolarHBondContact O-OG1 3.18Å; S492-T496 VanDerWaalsContact O-OG1 3.07Å
493	V	91.8	Very high	90.4	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.018	23%	0.225	C	C	.	.	H	α-helix	trans	-64.8	-49	175.5	171.5	0	0	0	0	110.2	L452 L474 L489 Y490 K495 T496 F497 I500	L452-V493 HydrophobicContact CD2-CG2 3.72Å; L474-V493 HydrophobicContact CD2-CB 4.26Å; L474-V493 HydrophobicContact CD2-CG1 4.04Å; L474-V493 HydrophobicContact CD2-CG2 3.86Å; L489-V493 HydrophobicContact CD1-CG2 4.11Å; L489-V493 HydrophobicContact CG-CG2 4.46Å; L489-V493 WeakPolarHBondContact O-CG2 3.46Å; L489-V493 PolarHBondContact O-N 3.34Å; Y490-V493 PolarHBondContact O-N 3.24Å; V493-K495 VanDerWaalsContact C-N 3.27Å; V493-K495 PolarHBondContact O-N 3.19Å; V493-T496 CarbonylContact O-C 3.56Å; V493-T496 PolarHBondContact O-N 3.45Å; V493-F497 HydrophobicContact CG1-CD2 4.44Å; V493-F497 PolarHBondContact O-N 2.86Å; V493-I500 HydrophobicContact CG1-CB 4.21Å; V493-I500 HydrophobicContact CG1-CD1 3.83Å; V493-I500 HydrophobicContact CG1-CG2 4.04Å
494	Q	91.4	Very high	90.8	Very high	32 Å²	32	37.7 Å²	37.7	15%	0.15	22%	0.215	C	C	.	.	H	α-helix	trans	-65.4	-29	179	-72.2	175.8	-28.5	0	0	112.7	Y490 T496 F497 P498 D721	Y490-Q494 WeakPolarHBondContact O-CB 3.35Å; Y490-Q494 VanDerWaalsContact O-CG 3.29Å; Y490-Q494 WeakPolarHBondContact O-CG 3.41Å; Y490-Q494 PolarHBondContact O-N 3.41Å; Q494-T496 VanDerWaalsContact C-N 3.3Å; Q494-T496 PolarHBondContact O-N 3.19Å; Q494-F497 CarbonylContact O-C 3.58Å; Q494-P498 WeakPolarHBondContact O-CA 3.21Å; Q494-P498 WeakPolarHBondContact O-CG 3.37Å; Q494-D721 PolarHBondContact NE2-OD2 3.1Å; Q494-D721 VanDerWaalsContact NE2-OD2 3.12Å
495	K	92.1	Very high	91	Very high	180 Å²	180	35.8 Å²	35.8	78%	0.783	20%	0.195	S	C	*	.	H	α-helix	trans	-65.3	-35.5	172	-175.2	-178.6	177.9	-173.7	0	112.2	I491 S492 V493	I491-K495 VanDerWaalsContact O-CB 3.29Å; I491-K495 WeakPolarHBondContact O-CB 3.4Å; I491-K495 PolarHBondContact O-N 3.31Å; S492-K495 PolarHBondContact O-N 3.17Å; V493-K495 VanDerWaalsContact C-N 3.27Å; V493-K495 PolarHBondContact O-N 3.19Å
496	T	90.5	Very high	91.1	Very high	85 Å²	85	33.9 Å²	33.9	52%	0.521	19%	0.185	S	C	.	.	H	α-helix	trans	-87.2	-37.6	-178.8	-49.8	0	0	0	0	111.6	S492 V493 Q494	S492-T496 PolarHBondContact O-N 3.27Å; S492-T496 PolarHBondContact O-OG1 3.18Å; S492-T496 VanDerWaalsContact O-OG1 3.07Å; V493-T496 CarbonylContact O-C 3.56Å; V493-T496 PolarHBondContact O-N 3.45Å; Q494-T496 VanDerWaalsContact C-N 3.3Å; Q494-T496 PolarHBondContact O-N 3.19Å
497	F	90.6	Very high	90.9	Very high	38 Å²	38	33.6 Å²	33.6	17%	0.167	18%	0.184	C	C	.	.			trans	-133.5	82.1	-177.2	-51.2	-74.7	0	0	0	109.6	F466 Q467 V493 Q494 W499 I500	F466-F497 HydrophobicContact CD1-CE2 4.12Å; F466-F497 HydrophobicContact CD1-CZ 4.14Å; F466-F497 HydrophobicContact CE1-CD2 4.15Å; F466-F497 AromaticContact CE1-CE2 3.65Å; F466-F497 HydrophobicContact CE1-CE2 3.65Å; F466-F497 HydrophobicContact CE1-CZ 4.03Å; Q467-F497 HydrophobicContact CG-CZ 4.16Å; V493-F497 HydrophobicContact CG1-CD2 4.44Å; V493-F497 PolarHBondContact O-N 2.86Å; Q494-F497 CarbonylContact O-C 3.58Å; F497-W499 HydrophobicContact CB-CZ2 4.2Å; F497-W499 HydrophobicContact CD1-CH2 4.06Å; F497-W499 AromaticContact CD1-CZ2 3.73Å; F497-W499 HydrophobicContact CD1-CZ2 3.73Å; F497-W499 HydrophobicContact CG-CZ2 4.45Å; F497-W499 PolarHBondContact O-N 2.9Å; F497-W499 VanDerWaalsContact O-N 3.07Å; F497-I500 HydrophobicContact CB-CB 4.47Å; F497-I500 HydrophobicContact CB-CD1 3.48Å; F497-I500 VanDerWaalsContact CB-CD1 3.48Å; F497-I500 HydrophobicContact CB-CG1 3.71Å; F497-I500 HydrophobicContact CD2-CD1 4.01Å; F497-I500 HydrophobicContact CG-CD1 3.9Å; F497-I500 PolarHBondContact O-N 2.83Å; F497-I500 VanDerWaalsContact O-N 3.08Å
498	P	90.1	Very high	90.4	Very high	70 Å²	70	34.5 Å²	34.5	46%	0.455	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.1	-172.5	-25.7	35.3	0	0	0	115.7	Q494 Q723	Q494-P498 WeakPolarHBondContact O-CA 3.21Å; Q494-P498 WeakPolarHBondContact O-CG 3.37Å; P498-Q723 PolarHBondContact O-NE2 3.43Å
499	W	90.6	Very high	90.1	Very high	49 Å²	49	35.5 Å²	35.5	19%	0.186	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-6.6	179.5	60.3	81.5	0	0	0	113.8	V471 F497 L501 H760 S763 I764 P765	V471-W499 PolarHBondContact O-NE1 3.04Å; F497-W499 HydrophobicContact CB-CZ2 4.2Å; F497-W499 HydrophobicContact CD1-CH2 4.06Å; F497-W499 AromaticContact CD1-CZ2 3.73Å; F497-W499 HydrophobicContact CD1-CZ2 3.73Å; F497-W499 HydrophobicContact CG-CZ2 4.45Å; F497-W499 PolarHBondContact O-N 2.9Å; F497-W499 VanDerWaalsContact O-N 3.07Å; W499-L501 PolarHBondContact O-N 3.32Å; W499-H760 PolarHBondContact O-CE1 2.88Å; W499-H760 PolarHBondContact O-NE2 3.4Å; W499-H760 VanDerWaalsContact O-NE2 3.16Å; W499-S763 WeakPolarHBondContact CB-OG 3.4Å; W499-I764 HydrophobicContact CB-CB 4.48Å; W499-I764 HydrophobicContact CB-CG1 3.89Å; W499-I764 HydrophobicContact CG-CG1 4.28Å; W499-P765 VanDerWaalsContact CD2-CD 3.43Å; W499-P765 HydrophobicContact CD2-CG 4.05Å; W499-P765 HydrophobicContact CE3-CG 3.76Å; W499-P765 HydrophobicContact CH2-CG 3.4Å; W499-P765 VanDerWaalsContact CH2-CG 3.4Å; W499-P765 HydrophobicContact CZ2-CG 3.7Å; W499-P765 HydrophobicContact CZ3-CG 3.43Å; W499-P765 VanDerWaalsContact CZ3-CG 3.43Å
500	I	93.1	Very high	89.9	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.01	18%	0.176	C	C	.	.			trans	-75	124.5	178.2	-66.8	-177.1	0	0	0	110.1	F466 V471 L474 V493 F497	F466-I500 HydrophobicContact CZ-CD1 4.32Å; V471-I500 HydrophobicContact CB-CD1 4.32Å; V471-I500 HydrophobicContact CG1-CD1 4.23Å; V471-I500 WeakPolarHBondContact O-CG1 3.36Å; L474-I500 HydrophobicContact CB-CG2 3.77Å; V493-I500 HydrophobicContact CG1-CB 4.21Å; V493-I500 HydrophobicContact CG1-CD1 3.83Å; V493-I500 HydrophobicContact CG1-CG2 4.04Å; F497-I500 HydrophobicContact CB-CB 4.47Å; F497-I500 HydrophobicContact CB-CD1 3.48Å; F497-I500 VanDerWaalsContact CB-CD1 3.48Å; F497-I500 HydrophobicContact CB-CG1 3.71Å; F497-I500 HydrophobicContact CD2-CD1 4.01Å; F497-I500 HydrophobicContact CG-CD1 3.9Å; F497-I500 PolarHBondContact O-N 2.83Å; F497-I500 VanDerWaalsContact O-N 3.08Å
501	L	93.2	Very high	89.7	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	120.9	172.1	-65.5	175.3	0	0	0	110.7	V472 G473 L474 W499 Q723 F727 H760 L823	V472-L501 PolarHBondContact O-N 2.6Å; G473-L501 CarbonylContact C-O 3.46Å; G473-L501 WeakPolarHBondContact CA-O 3.08Å; L474-L501 PolarHBondContact N-O 3.18Å; W499-L501 PolarHBondContact O-N 3.32Å; L501-Q723 HydrophobicContact CD2-CG 4.21Å; L501-F727 HydrophobicContact CD1-CB 4.35Å; L501-F727 HydrophobicContact CD1-CD1 3.46Å; L501-F727 VanDerWaalsContact CD1-CD1 3.46Å; L501-F727 HydrophobicContact CD1-CD2 3.94Å; L501-F727 HydrophobicContact CD1-CE1 3.61Å; L501-F727 HydrophobicContact CD1-CE2 4.05Å; L501-F727 HydrophobicContact CD1-CG 3.64Å; L501-F727 HydrophobicContact CD1-CZ 3.89Å; L501-F727 HydrophobicContact CD2-CB 4.29Å; L501-F727 HydrophobicContact CD2-CG 4.37Å; L501-H760 WeakPolarHBondContact CD1-NE2 3.48Å; L501-H760 WeakPolarHBondContact CD2-CE1 3.32Å; L501-H760 WeakPolarHBondContact CD2-NE2 3.48Å; L501-H760 WeakPolarHBondContact CG-NE2 3.49Å; L501-L823 HydrophobicContact CB-CD2 4.09Å; L501-L823 HydrophobicContact CD1-CD1 3.84Å; L501-L823 HydrophobicContact CD1-CD2 3.96Å
502	C	92.9	Very high	89.5	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	104.7	175	-62.7	0	0	0	0	109.7	L474 Y490 S724	L474-C502 CarbonylContact O-C 3.57Å; L474-C502 VanDerWaalsContact O-CA 3.3Å; L474-C502 WeakPolarHBondContact O-CA 3.26Å; Y490-C502 HydrophobicContact CD1-CB 3.67Å; Y490-C502 VanDerWaalsContact CD1-SG 3.5Å; Y490-C502 HydrophobicContact CD2-CB 3.64Å; Y490-C502 HydrophobicContact CE1-CB 3.93Å; Y490-C502 HydrophobicContact CE2-CB 3.91Å; Y490-C502 HydrophobicContact CG-CB 3.53Å; C502-S724 VanDerWaalsContact C-OG 3.3Å; C502-S724 PolarHBondContact N-OG 3.17Å; C502-S724 VanDerWaalsContact N-OG 3.08Å; C502-S724 WeakPolarHBondContact O-CB 3.41Å; C502-S724 PolarHBondContact O-OG 2.94Å
503	L	91.3	Very high	89.2	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	144.8	-177.5	-73.1	171.6	0	0	0	111.6	L474 I505 V650 L720 T728 L823 P824	L474-L503 PolarHBondContact O-N 3.33Å; L503-I505 PolarHBondContact O-N 3.24Å; L503-V650 HydrophobicContact CD1-CG1 4.44Å; L503-L720 HydrophobicContact CD2-CD1 4.44Å; L503-T728 WeakPolarHBondContact CD2-OG1 3.44Å; L503-L823 HydrophobicContact CD1-CB 3.8Å; L503-L823 HydrophobicContact CD1-CD1 4.33Å; L503-L823 HydrophobicContact CD1-CD2 4.33Å; L503-L823 HydrophobicContact CD1-CG 4.37Å; L503-P824 HydrophobicContact CB-CG 4.32Å; L503-P824 HydrophobicContact CD1-CG 4.23Å; L503-P824 VanDerWaalsContact CD1-O 3.32Å; L503-P824 WeakPolarHBondContact CD1-O 3.33Å
504	P	89.3	Confident	89.1	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.006	14%	0.141	C	C	.	.			trans	-67.4	125	172	29.4	-33.8	0	0	0	108.2	F643 V653 L657 R719 L720	P504-F643 WeakPolarHBondContact O-CE1 3.48Å; P504-V653 HydrophobicContact CG-CG1 3.61Å; P504-L657 HydrophobicContact CG-CD2 4.33Å; P504-R719 HydrophobicContact CB-CB 3.86Å; P504-L720 HydrophobicContact CG-CB 4.2Å; P504-L720 HydrophobicContact CG-CD1 3.88Å
505	I	90.1	Very high	89	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.			trans	-119.8	146.2	169.4	51.9	156.5	0	0	0	108.8	I407 D477 L503 I507 R719 P824 T827	I407-I505 HydrophobicContact CB-CD1 4.28Å; I407-I505 HydrophobicContact CD1-CG2 4.49Å; I407-I505 HydrophobicContact CG1-CD1 4.26Å; I407-I505 HydrophobicContact CG2-CD1 3.39Å; D477-I505 HydrophobicContact CB-CD1 3.96Å; D477-I505 HydrophobicContact CB-CG1 4.03Å; L503-I505 PolarHBondContact O-N 3.24Å; I505-I507 HydrophobicContact CD1-CD1 4.08Å; I505-I507 HydrophobicContact CD1-CG1 4.43Å; I505-R719 PolarHBondContact O-NH1 3.24Å; I505-R719 VanDerWaalsContact O-NH1 3.14Å; I505-P824 HydrophobicContact CG2-CB 4.29Å; I505-T827 HydrophobicContact CB-CG2 3.95Å; I505-T827 HydrophobicContact CG2-CG2 4.32Å
506	L	88.7	Confident	88.8	Confident	1 Å²	1	21.6 Å²	21.6	1%	0.005	11%	0.109	C	C	.	.			trans	-131.6	108.2	178.7	-66.7	175	0	0	0	108.3	P510 L639 A640 F643 T827	L506-P510 HydrophobicContact CD2-CB 3.94Å; L506-P510 HydrophobicContact CD2-CG 4.49Å; L506-L639 HydrophobicContact CD1-CB 4.45Å; L506-L639 HydrophobicContact CD1-CD2 3.41Å; L506-L639 VanDerWaalsContact CD1-CD2 3.41Å; L506-L639 HydrophobicContact CD1-CG 3.49Å; L506-L639 VanDerWaalsContact CD1-CG 3.49Å; L506-A640 HydrophobicContact CB-CB 4.47Å; L506-F643 HydrophobicContact CB-CB 4.06Å; L506-F643 HydrophobicContact CB-CD1 4.49Å; L506-F643 HydrophobicContact CB-CD2 4.01Å; L506-F643 HydrophobicContact CB-CG 3.93Å; L506-F643 HydrophobicContact CD1-CD2 3.88Å; L506-F643 HydrophobicContact CD1-CE2 3.83Å; L506-F643 HydrophobicContact CD1-CZ 4.48Å; L506-F643 HydrophobicContact CG-CD2 4.28Å; L506-F643 HydrophobicContact CG-CE2 4.43Å; L506-F643 VanDerWaalsContact O-CB 3.28Å; L506-F643 WeakPolarHBondContact O-CB 3.34Å; L506-T827 PolarHBondContact O-OG1 2.96Å
507	I	85.9	Confident	88.6	Confident	0 Å²	0	20 Å²	20	0%	0	10%	0.104	C	C	.	.			trans	-98.5	-57.2	-175.8	-56.5	175.7	0	0	0	108.8	I407 D409 D477 I505 Q644 T827 C830	I407-I507 HydrophobicContact CG2-CD1 4.01Å; D409-I507 HydrophobicContact CB-CD1 3.49Å; D409-I507 VanDerWaalsContact CB-CD1 3.49Å; D409-I507 VanDerWaalsContact OD1-CD1 3.22Å; D409-I507 WeakPolarHBondContact OD1-CD1 3.41Å; D477-I507 HydrophobicContact CB-CD1 3.98Å; D477-I507 HydrophobicContact CB-CG1 4.04Å; D477-I507 PolarHBondContact OD2-N 2.91Å; I505-I507 HydrophobicContact CD1-CD1 4.08Å; I505-I507 HydrophobicContact CD1-CG1 4.43Å; I507-Q644 PolarHBondContact O-NE2 3.04Å; I507-T827 HydrophobicContact CG1-CG2 3.68Å; I507-C830 HydrophobicContact CD1-CB 3.77Å; I507-C830 HydrophobicContact CG1-CB 4.05Å; I507-C830 HydrophobicContact CG2-CB 3.76Å
508	H	77.3	Confident	88.5	Confident	48 Å²	48	18.6 Å²	18.6	22%	0.222	10%	0.099	C	C	.	.	S	Bend	trans	-156.2	131.5	-174.9	-172.2	-108.7	0	0	0	113.7
509	R	84.3	Confident	88.3	Confident	80 Å²	80	17.1 Å²	17.1	30%	0.302	9%	0.09	S	C	.	.			trans	52.1	59.1	174.7	-64	179.5	177.7	-174.5	-8	115.3	H511 L512 E576	R509-H511 PolarHBondContact O-N 2.99Å; R509-H511 VanDerWaalsContact O-N 3.11Å; R509-L512 HydrophobicContact CB-CD1 3.81Å; R509-L512 HydrophobicContact CB-CG 4Å; R509-L512 HydrophobicContact CG-CD1 4.46Å; R509-L512 WeakPolarHBondContact O-CB 3.29Å; R509-L512 PolarHBondContact O-N 2.98Å; R509-E576 IonicContact CZ-OE1 3.43Å; R509-E576 VanDerWaalsContact CZ-OE1 3.25Å; R509-E576 IonicContact CZ-OE2 3.11Å; R509-E576 IonicContact NH1-OE1 2.99Å; R509-E576 PolarHBondContact NH1-OE1 3.01Å; R509-E576 IonicContact NH1-OE2 2.61Å; R509-E576 PolarHBondContact NH1-OE2 3.26Å; R509-E576 IonicContact NH2-OE1 2.87Å; R509-E576 IonicContact NH2-OE2 3.78Å; R509-E576 PolarHBondContact NH2-OE2 2.71Å
510	P	87.2	Confident	87.9	Confident	3 Å²	3	15.8 Å²	15.8	2%	0.019	9%	0.091	C	C	.	.	H	α-helix	trans	-56.4	-26.9	176	17.5	-29.1	0	0	0	114.7	L506 L512 E513 V514 L636 A640	L506-P510 HydrophobicContact CD2-CB 3.94Å; L506-P510 HydrophobicContact CD2-CG 4.49Å; P510-L512 PolarHBondContact O-N 2.78Å; P510-E513 PolarHBondContact O-N 3.16Å; P510-V514 PolarHBondContact O-N 2.84Å; P510-L636 HydrophobicContact CG-CB 4.09Å; P510-L636 VanDerWaalsContact CG-O 3.29Å; P510-L636 WeakPolarHBondContact CG-O 3.37Å; P510-A640 HydrophobicContact CG-CB 3.92Å
511	H	88.6	Confident	87	Confident	5 Å²	5	25.8 Å²	25.8	2%	0.023	14%	0.135	C	C	.	.	H	α-helix	trans	-62.2	-22.4	176.9	57	-84.6	0	0	0	113.8	R509 V514 L515 G575 I633 L636	R509-H511 PolarHBondContact O-N 2.99Å; R509-H511 VanDerWaalsContact O-N 3.11Å; H511-V514 PolarHBondContact O-N 3.48Å; H511-L515 WeakPolarHBondContact O-CB 3.25Å; H511-L515 VanDerWaalsContact O-CG 3.22Å; H511-L515 WeakPolarHBondContact O-CG 3.38Å; H511-L515 PolarHBondContact O-N 3.48Å; H511-G575 PolarHBondContact CD2-O 3.04Å; H511-G575 PolarHBondContact NE2-O 3.31Å; H511-I633 HydrophobicContact CB-CG1 3.96Å; H511-L636 HydrophobicContact CB-CB 4.29Å; H511-L636 HydrophobicContact CB-CD1 3.71Å
512	L	88	Confident	86.1	Confident	9 Å²	9	31.4 Å²	31.4	5%	0.047	16%	0.161	C	C	.	.	H	α-helix	trans	-70	-42.2	175.6	-67.1	179.5	0	0	0	112.2	T479 R509 P510 V514 L515 D516 W572	T479-L512 HydrophobicContact CG2-CB 3.54Å; T479-L512 HydrophobicContact CG2-CD1 3.84Å; T479-L512 HydrophobicContact CG2-CG 4.33Å; R509-L512 HydrophobicContact CB-CD1 3.81Å; R509-L512 HydrophobicContact CB-CG 4Å; R509-L512 HydrophobicContact CG-CD1 4.46Å; R509-L512 WeakPolarHBondContact O-CB 3.29Å; R509-L512 PolarHBondContact O-N 2.98Å; P510-L512 PolarHBondContact O-N 2.78Å; L512-V514 VanDerWaalsContact C-N 3.26Å; L512-V514 PolarHBondContact O-N 3.06Å; L512-L515 HydrophobicContact CD2-CD1 4.4Å; L512-L515 PolarHBondContact O-N 2.6Å; L512-D516 PolarHBondContact O-N 3.19Å; L512-W572 HydrophobicContact CD2-CB 3.86Å; L512-W572 HydrophobicContact CD2-CG 4.4Å
513	E	86.4	Confident	85.8	Confident	7 Å²	7	31.7 Å²	31.7	3%	0.033	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-41.5	172.8	-176.2	-161.1	-158.2	0	0	110.2	R486 P510 D516 A517 R719	R486-E513 IonicContact CZ-OE1 3.24Å; R486-E513 IonicContact NE-OE1 2.9Å; R486-E513 IonicContact NH2-OE1 2.86Å; R486-E513 PolarHBondContact NH2-OE1 3.29Å; R486-E513 IonicContact NH2-OE2 3.47Å; P510-E513 PolarHBondContact O-N 3.16Å; E513-D516 PolarHBondContact O-N 3.44Å; E513-A517 WeakPolarHBondContact O-CB 3.26Å; E513-A517 PolarHBondContact O-N 2.92Å; E513-R719 VanDerWaalsContact CD-NH2 3.31Å; E513-R719 IonicContact OE1-NH2 2.82Å; E513-R719 IonicContact OE2-CZ 3.69Å; E513-R719 IonicContact OE2-NE 3.86Å; E513-R719 PolarHBondContact OE2-NE 3.38Å; E513-R719 IonicContact OE2-NH2 2.85Å; E513-R719 PolarHBondContact OE2-NH2 2.89Å
514	V	89.6	Confident	85.7	Confident	4 Å²	4	34.6 Å²	34.6	2%	0.024	18%	0.183	C	C	.	.	H	α-helix	trans	-60.5	-50	177	174	0	0	0	0	110.4	P510 H511 L512 D516 A517 I518 L636 S712 I715	P510-V514 PolarHBondContact O-N 2.84Å; H511-V514 PolarHBondContact O-N 3.48Å; L512-V514 VanDerWaalsContact C-N 3.26Å; L512-V514 PolarHBondContact O-N 3.06Å; V514-D516 VanDerWaalsContact C-N 3.34Å; V514-D516 PolarHBondContact O-N 3.16Å; V514-A517 PolarHBondContact O-N 3.34Å; V514-I518 HydrophobicContact CG1-CD1 4.28Å; V514-I518 HydrophobicContact CG1-CG2 4.17Å; V514-I518 WeakPolarHBondContact O-CG1 3.12Å; V514-I518 WeakPolarHBondContact O-CG2 3.41Å; V514-I518 PolarHBondContact O-N 3.27Å; V514-L636 HydrophobicContact CB-CD1 4.27Å; V514-L636 HydrophobicContact CG2-CD1 3.89Å; V514-S712 WeakPolarHBondContact CG1-OG 3.42Å; V514-I715 HydrophobicContact CG1-CD1 4.35Å; V514-I715 HydrophobicContact CG2-CG2 4.27Å
515	L	89.8	Confident	85.7	Confident	7 Å²	7	35.1 Å²	35.1	4%	0.037	19%	0.187	C	C	.	.	H	α-helix	trans	-58.1	-44.5	178.3	-74	168.5	0	0	0	112	H511 L512 A517 I518 S519 W572 I574 L629	H511-L515 WeakPolarHBondContact O-CB 3.25Å; H511-L515 VanDerWaalsContact O-CG 3.22Å; H511-L515 WeakPolarHBondContact O-CG 3.38Å; H511-L515 PolarHBondContact O-N 3.48Å; L512-L515 HydrophobicContact CD2-CD1 4.4Å; L512-L515 PolarHBondContact O-N 2.6Å; L515-A517 VanDerWaalsContact C-N 3.34Å; L515-A517 PolarHBondContact O-N 3.08Å; L515-I518 HydrophobicContact CD2-CD1 4.42Å; L515-I518 PolarHBondContact O-N 3.14Å; L515-S519 WeakPolarHBondContact O-CB 3.5Å; L515-S519 PolarHBondContact O-N 3.43Å; L515-S519 PolarHBondContact O-OG 3.08Å; L515-W572 HydrophobicContact CB-CD2 4.08Å; L515-W572 HydrophobicContact CB-CG 4.24Å; L515-W572 HydrophobicContact CD1-CB 4.11Å; L515-W572 HydrophobicContact CD1-CD2 4.48Å; L515-W572 HydrophobicContact CD1-CG 4.21Å; L515-I574 HydrophobicContact CD1-CB 4.27Å; L515-I574 HydrophobicContact CD1-CG2 3.93Å; L515-I574 HydrophobicContact CD2-CG2 3.78Å; L515-L629 HydrophobicContact CD2-CD2 4.5Å
516	D	86.4	Confident	85.8	Confident	44 Å²	44	35.2 Å²	35.2	24%	0.235	19%	0.187	C	C	.	.	H	α-helix	trans	-59.6	-45.2	176.5	-72.7	-41.1	0	0	0	111.8	L512 E513 V514 S519 R571 W572	L512-D516 PolarHBondContact O-N 3.19Å; E513-D516 PolarHBondContact O-N 3.44Å; V514-D516 VanDerWaalsContact C-N 3.34Å; V514-D516 PolarHBondContact O-N 3.16Å; D516-S519 PolarHBondContact O-OG 2.94Å; D516-R571 VanDerWaalsContact CG-NH2 3.31Å; D516-R571 IonicContact OD1-CZ 3.86Å; D516-R571 IonicContact OD1-NE 2.91Å; D516-R571 PolarHBondContact OD1-NE 3.45Å; D516-R571 IonicContact OD1-NH2 3.62Å; D516-R571 IonicContact OD2-CZ 3.69Å; D516-R571 IonicContact OD2-NE 3.71Å; D516-R571 PolarHBondContact OD2-NE 3.4Å; D516-R571 IonicContact OD2-NH2 2.59Å; D516-R571 PolarHBondContact OD2-NH2 3.2Å; D516-W572 PolarHBondContact OD1-NE1 3.39Å
517	A	86.9	Confident	85.9	Confident	51 Å²	51	39 Å²	39	42%	0.421	21%	0.205	S	C	.	.	H	α-helix	trans	-76	-28.8	-175.4	0	0	0	0	0	113.9	E513 V514 L515 I715	E513-A517 WeakPolarHBondContact O-CB 3.26Å; E513-A517 PolarHBondContact O-N 2.92Å; V514-A517 PolarHBondContact O-N 3.34Å; L515-A517 VanDerWaalsContact C-N 3.34Å; L515-A517 PolarHBondContact O-N 3.08Å; A517-I715 HydrophobicContact CB-CD1 3.46Å; A517-I715 VanDerWaalsContact CB-CD1 3.46Å; A517-I715 HydrophobicContact CB-CG1 4.04Å
518	I	89.6	Confident	86.2	Confident	10 Å²	10	43.3 Å²	43.3	5%	0.051	23%	0.228	C	C	.	.	H	α-helix	trans	-88.9	-22.1	177.4	73.1	-179.3	0	0	0	112.9	V514 L515 L523 L526 I708 R711 I715	V514-I518 HydrophobicContact CG1-CD1 4.28Å; V514-I518 HydrophobicContact CG1-CG2 4.17Å; V514-I518 WeakPolarHBondContact O-CG1 3.12Å; V514-I518 WeakPolarHBondContact O-CG2 3.41Å; V514-I518 PolarHBondContact O-N 3.27Å; L515-I518 HydrophobicContact CD2-CD1 4.42Å; L515-I518 PolarHBondContact O-N 3.14Å; I518-L523 HydrophobicContact CB-CD1 4.03Å; I518-L523 HydrophobicContact CG1-CD1 4.45Å; I518-L523 WeakPolarHBondContact O-CD1 3.48Å; I518-L526 HydrophobicContact CD1-CD1 3.65Å; I518-L526 HydrophobicContact CG1-CD1 3.66Å; I518-I708 HydrophobicContact CD1-CG1 4.41Å; I518-I708 HydrophobicContact CD1-CG2 4.2Å; I518-R711 HydrophobicContact CB-CB 4.46Å; I518-R711 HydrophobicContact CG2-CB 3.52Å; I518-R711 HydrophobicContact CG2-CG 4.45Å; I518-I715 HydrophobicContact CG2-CD1 3.84Å
519	S	85.1	Confident	87	Confident	38 Å²	38	41.1 Å²	41.1	27%	0.266	22%	0.218	S	C	.	.			trans	-62.9	143.4	177	72.2	0	0	0	0	111.6	L515 D516 W572	L515-S519 WeakPolarHBondContact O-CB 3.5Å; L515-S519 PolarHBondContact O-N 3.43Å; L515-S519 PolarHBondContact O-OG 3.08Å; D516-S519 PolarHBondContact O-OG 2.94Å; S519-W572 VanDerWaalsContact CB-CH2 3.48Å
520	G	82.3	Confident	87.5	Confident	21 Å²	21	37.6 Å²	37.6	22%	0.216	21%	0.205	C	C	.	.	S	Bend	trans	143.1	-169	178.1	0	0	0	0	0	113.7	E522 L523 S524 E527	G520-E522 PolarHBondContact O-N 3.03Å; G520-L523 CarbonylContact O-C 3.57Å; G520-L523 VanDerWaalsContact O-C 3.24Å; G520-L523 PolarHBondContact O-N 3.24Å; G520-S524 PolarHBondContact O-N 3.25Å; G520-S524 VanDerWaalsContact O-N 3.17Å; G520-E527 VanDerWaalsContact CA-OE1 3.32Å; G520-E527 WeakPolarHBondContact CA-OE1 3.37Å; G520-E527 PolarHBondContact N-OE1 3.07Å
521	K	74.4	Confident	87.8	Confident	212 Å²	212	40.7 Å²	40.7	92%	0.922	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-56	-30	-171.3	-67.5	-176.6	-179.8	177.8	0	114.6
522	E	74.8	Confident	88.1	Confident	118 Å²	118	42.6 Å²	42.6	55%	0.551	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-78.8	-21.7	-179.2	-67.5	-175.2	175.6	0	0	113.7	G520 R711	G520-E522 PolarHBondContact O-N 3.03Å; E522-R711 IonicContact OE1-NH2 3.7Å; E522-R711 IonicContact OE2-CZ 2.86Å; E522-R711 IonicContact OE2-NE 3.83Å; E522-R711 IonicContact OE2-NH2 2.8Å; E522-R711 PolarHBondContact OE2-NH2 3.43Å
523	L	86.4	Confident	88.4	Confident	7 Å²	7	42.3 Å²	42.3	4%	0.037	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-132.6	47.9	-177.8	-71.1	173.8	0	0	0	110.2	I518 G520 C525 L526 I704 K707 I708	I518-L523 HydrophobicContact CB-CD1 4.03Å; I518-L523 HydrophobicContact CG1-CD1 4.45Å; I518-L523 WeakPolarHBondContact O-CD1 3.48Å; G520-L523 CarbonylContact O-C 3.57Å; G520-L523 VanDerWaalsContact O-C 3.24Å; G520-L523 PolarHBondContact O-N 3.24Å; L523-C525 PolarHBondContact O-N 3.27Å; L523-L526 HydrophobicContact CB-CD1 3.95Å; L523-L526 HydrophobicContact CB-CG 4.3Å; L523-L526 HydrophobicContact CD1-CD1 4.08Å; L523-L526 WeakPolarHBondContact O-CB 3.44Å; L523-L526 PolarHBondContact O-N 3.32Å; L523-I704 HydrophobicContact CD2-CG2 4.11Å; L523-K707 HydrophobicContact CD2-CB 4.16Å; L523-K707 HydrophobicContact CD2-CD 4.3Å; L523-I708 HydrophobicContact CD1-CG1 3.9Å; L523-I708 HydrophobicContact CD2-CG1 4.2Å
524	S	87.8	Confident	88.8	Confident	60 Å²	60	44.1 Å²	44.1	42%	0.42	24%	0.238	S	C	.	.	H	α-helix	trans	-57.8	-24.7	-179.4	67.3	0	0	0	0	113.2	G520 L526 E527 D528	G520-S524 PolarHBondContact O-N 3.25Å; G520-S524 VanDerWaalsContact O-N 3.17Å; S524-L526 PolarHBondContact O-N 2.78Å; S524-E527 WeakPolarHBondContact O-CB 3.29Å; S524-E527 PolarHBondContact O-N 2.91Å; S524-D528 PolarHBondContact O-N 3.33Å
525	C	90.2	Very high	89	Confident	13 Å²	13	46.7 Å²	46.7	9%	0.088	25%	0.249	C	C	.	.	H	α-helix	trans	-58.8	-26.5	174.6	58.9	0	0	0	0	113.6	L523 L529 L625	L523-C525 PolarHBondContact O-N 3.27Å; C525-L529 VanDerWaalsContact O-CB 3.23Å; C525-L529 WeakPolarHBondContact O-CB 3.49Å; C525-L529 PolarHBondContact O-N 3.11Å; C525-L625 HydrophobicContact CB-CD2 4.28Å
526	L	92.5	Very high	89.3	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-73.1	-39.2	174.2	-64.9	175.7	0	0	0	111.4	I518 L523 S524 L529 E530 I574 L625 L629 I708	I518-L526 HydrophobicContact CD1-CD1 3.65Å; I518-L526 HydrophobicContact CG1-CD1 3.66Å; L523-L526 HydrophobicContact CB-CD1 3.95Å; L523-L526 HydrophobicContact CB-CG 4.3Å; L523-L526 HydrophobicContact CD1-CD1 4.08Å; L523-L526 WeakPolarHBondContact O-CB 3.44Å; L523-L526 PolarHBondContact O-N 3.32Å; S524-L526 PolarHBondContact O-N 2.78Å; L526-L529 PolarHBondContact O-N 2.81Å; L526-E530 VanDerWaalsContact O-CB 3.31Å; L526-E530 WeakPolarHBondContact O-CB 3.25Å; L526-E530 PolarHBondContact O-N 2.91Å; L526-I574 WeakPolarHBondContact O-CD1 3.45Å; L526-L625 HydrophobicContact CD2-CD1 4.41Å; L526-L625 HydrophobicContact CD2-CD2 4.11Å; L526-L625 HydrophobicContact CD2-CG 4.49Å; L526-L629 HydrophobicContact CD2-CD1 3.71Å; L526-L629 HydrophobicContact CD2-CD2 4.01Å; L526-L629 HydrophobicContact CD2-CG 4.42Å; L526-I708 HydrophobicContact CD2-CD1 4.33Å
527	E	91.3	Very high	89.6	Confident	82 Å²	82	44.4 Å²	44.4	38%	0.383	24%	0.237	S	C	.	.	H	α-helix	trans	-66	-42.5	174.5	-63.1	179.2	-166.5	0	0	110.6	G520 S524 E530 N531	G520-E527 VanDerWaalsContact CA-OE1 3.32Å; G520-E527 WeakPolarHBondContact CA-OE1 3.37Å; G520-E527 PolarHBondContact N-OE1 3.07Å; S524-E527 WeakPolarHBondContact O-CB 3.29Å; S524-E527 PolarHBondContact O-N 2.91Å; E527-E530 PolarHBondContact O-N 2.61Å; E527-N531 WeakPolarHBondContact O-CB 3.38Å; E527-N531 PolarHBondContact O-N 3.49Å; E527-N531 PolarHBondContact O-ND2 3.02Å
528	D	91.5	Very high	89.9	Confident	89 Å²	89	42.2 Å²	42.2	48%	0.476	22%	0.219	S	C	.	.	H	α-helix	trans	-61.7	-46	176.1	-64.4	-35.2	0	0	0	111	S524 N531 N532	S524-D528 PolarHBondContact O-N 3.33Å; D528-N531 PolarHBondContact O-N 2.93Å; D528-N532 WeakPolarHBondContact O-CB 3.47Å; D528-N532 PolarHBondContact O-N 3.18Å; D528-N532 PolarHBondContact O-ND2 3.13Å
529	L	94.1	Very high	90.1	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-60.6	-48.8	176.9	177.3	59.9	0	0	0	111.8	C525 L526 N531 N532 L533 I574 F616 L625 I626 L629	C525-L529 VanDerWaalsContact O-CB 3.23Å; C525-L529 WeakPolarHBondContact O-CB 3.49Å; C525-L529 PolarHBondContact O-N 3.11Å; L526-L529 PolarHBondContact O-N 2.81Å; L529-N531 PolarHBondContact O-N 3.04Å; L529-N532 PolarHBondContact O-N 3.5Å; L529-L533 HydrophobicContact CD1-CD1 3.97Å; L529-L533 HydrophobicContact CD1-CG 4.14Å; L529-L533 HydrophobicContact CG-CD1 3.98Å; L529-L533 WeakPolarHBondContact O-CB 3.31Å; L529-L533 VanDerWaalsContact O-CG 3.31Å; L529-L533 WeakPolarHBondContact O-CG 3.34Å; L529-L533 PolarHBondContact O-N 3.37Å; L529-I574 HydrophobicContact CB-CD1 4.13Å; L529-I574 HydrophobicContact CD2-CD1 3.86Å; L529-I574 HydrophobicContact CD2-CG1 4.12Å; L529-I574 HydrophobicContact CG-CD1 3.88Å; L529-I574 HydrophobicContact CG-CG1 4.11Å; L529-F616 HydrophobicContact CD1-CE2 3.61Å; L529-F616 HydrophobicContact CD1-CZ 3.72Å; L529-L625 HydrophobicContact CD2-CB 4.42Å; L529-L625 HydrophobicContact CD2-CD2 3.92Å; L529-L625 HydrophobicContact CD2-CG 3.93Å; L529-I626 HydrophobicContact CD1-CD1 4.04Å; L529-I626 HydrophobicContact CD1-CG1 3.8Å; L529-I626 HydrophobicContact CD2-CG1 4.14Å; L529-L629 HydrophobicContact CD2-CD1 3.64Å
530	E	93.9	Very high	90.4	Very high	7 Å²	7	40.5 Å²	40.5	3%	0.033	21%	0.206	C	C	.	.	H	α-helix	trans	-60.7	-45.5	179.2	176.1	60.7	-160.8	0	0	111.8	L526 E527 N532 L533 K534 W572 I573 I574	L526-E530 VanDerWaalsContact O-CB 3.31Å; L526-E530 WeakPolarHBondContact O-CB 3.25Å; L526-E530 PolarHBondContact O-N 2.91Å; E527-E530 PolarHBondContact O-N 2.61Å; E530-N532 PolarHBondContact O-N 2.94Å; E530-L533 PolarHBondContact O-N 2.69Å; E530-K534 HydrophobicContact CG-CD 4.4Å; E530-K534 WeakPolarHBondContact O-CB 3.44Å; E530-K534 PolarHBondContact O-N 2.88Å; E530-K534 WeakPolarHBondContact OE1-CD 3.22Å; E530-K534 WeakPolarHBondContact OE1-CE 3.12Å; E530-K534 IonicContact OE1-NZ 3.67Å; E530-K534 PolarHBondContact OE1-NZ 3.29Å; E530-W572 HydrophobicContact CB-CE3 3.94Å; E530-W572 HydrophobicContact CB-CZ3 3.74Å; E530-W572 HydrophobicContact CG-CE3 3.66Å; E530-W572 HydrophobicContact CG-CZ3 3.81Å; E530-W572 WeakPolarHBondContact OE1-CA 3.28Å; E530-I573 VanDerWaalsContact CD-N 3.25Å; E530-I573 PolarHBondContact OE1-N 2.87Å; E530-I573 PolarHBondContact OE2-N 2.88Å; E530-I574 HydrophobicContact CB-CD1 3.85Å; E530-I574 HydrophobicContact CB-CG1 4.37Å; E530-I574 WeakPolarHBondContact OE2-CG1 3.27Å; E530-I574 PolarHBondContact OE2-N 2.97Å
531	N	93.6	Very high	90.8	Very high	68 Å²	68	43 Å²	43	36%	0.364	21%	0.209	S	C	.	.	H	α-helix	trans	-63.2	-41.9	178.7	-73.8	-41.1	0	0	0	111.8	E527 D528 L529 K534 Q535	E527-N531 WeakPolarHBondContact O-CB 3.38Å; E527-N531 PolarHBondContact O-N 3.49Å; E527-N531 PolarHBondContact O-ND2 3.02Å; D528-N531 PolarHBondContact O-N 2.93Å; L529-N531 PolarHBondContact O-N 3.04Å; N531-K534 PolarHBondContact O-N 3.44Å; N531-Q535 WeakPolarHBondContact O-CB 3.44Å; N531-Q535 VanDerWaalsContact O-CG 3.31Å; N531-Q535 WeakPolarHBondContact O-CG 3.32Å; N531-Q535 PolarHBondContact O-N 3.45Å
532	N	95.1	Very high	91.5	Very high	45 Å²	45	35.3 Å²	35.3	24%	0.241	18%	0.175	C	C	.	.	H	α-helix	trans	-67.6	-40.2	178	-71.1	-29.6	0	0	0	112	D528 L529 E530 Q535 L536 F616	D528-N532 WeakPolarHBondContact O-CB 3.47Å; D528-N532 PolarHBondContact O-N 3.18Å; D528-N532 PolarHBondContact O-ND2 3.13Å; L529-N532 PolarHBondContact O-N 3.5Å; E530-N532 PolarHBondContact O-N 2.94Å; N532-Q535 PolarHBondContact O-N 3.42Å; N532-L536 WeakPolarHBondContact O-CB 3.36Å; N532-L536 PolarHBondContact O-N 2.89Å; N532-F616 HydrophobicContact CB-CB 4.43Å; N532-F616 HydrophobicContact CB-CD1 3.86Å; N532-F616 HydrophobicContact CB-CD2 3.53Å; N532-F616 HydrophobicContact CB-CE1 3.93Å; N532-F616 HydrophobicContact CB-CE2 3.6Å; N532-F616 HydrophobicContact CB-CG 3.66Å; N532-F616 HydrophobicContact CB-CZ 3.81Å; N532-F616 WeakPolarHBondContact ND2-CD2 3.17Å
533	L	95.6	Very high	92.2	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.016	15%	0.153	C	C	.	.	H	α-helix	trans	-63.4	-44.9	174.4	-73.1	170.6	0	0	0	111.5	L529 E530 Q535 L536 L537 I573 I574 L580 L583 F616	L529-L533 HydrophobicContact CD1-CD1 3.97Å; L529-L533 HydrophobicContact CD1-CG 4.14Å; L529-L533 HydrophobicContact CG-CD1 3.98Å; L529-L533 WeakPolarHBondContact O-CB 3.31Å; L529-L533 VanDerWaalsContact O-CG 3.31Å; L529-L533 WeakPolarHBondContact O-CG 3.34Å; L529-L533 PolarHBondContact O-N 3.37Å; E530-L533 PolarHBondContact O-N 2.69Å; L533-Q535 VanDerWaalsContact C-N 3.34Å; L533-Q535 PolarHBondContact O-N 3.46Å; L533-L536 PolarHBondContact O-N 3.02Å; L533-L537 WeakPolarHBondContact O-CG 3.26Å; L533-L537 PolarHBondContact O-N 3.27Å; L533-I573 HydrophobicContact CB-CB 4.16Å; L533-I573 HydrophobicContact CB-CG2 3.84Å; L533-I573 HydrophobicContact CD1-CG2 4.26Å; L533-I574 HydrophobicContact CD1-CG1 3.79Å; L533-L580 HydrophobicContact CD1-CD2 3.91Å; L533-L580 HydrophobicContact CD2-CD2 4.36Å; L533-L583 HydrophobicContact CD2-CD2 3.78Å; L533-F616 HydrophobicContact CD2-CE1 4.32Å; L533-F616 HydrophobicContact CD2-CZ 4.09Å; L533-F616 HydrophobicContact CG-CZ 4.15Å
534	K	94.3	Very high	92.3	Very high	45 Å²	45	34.9 Å²	34.9	20%	0.196	18%	0.183	C	C	.	.	H	α-helix	trans	-59.4	-43.4	174.1	-82.4	178.5	161.1	140.3	0	112.1	E530 N531 S538 I567 V570 R571 I573	E530-K534 HydrophobicContact CG-CD 4.4Å; E530-K534 WeakPolarHBondContact O-CB 3.44Å; E530-K534 PolarHBondContact O-N 2.88Å; E530-K534 WeakPolarHBondContact OE1-CD 3.22Å; E530-K534 WeakPolarHBondContact OE1-CE 3.12Å; E530-K534 IonicContact OE1-NZ 3.67Å; E530-K534 PolarHBondContact OE1-NZ 3.29Å; N531-K534 PolarHBondContact O-N 3.44Å; K534-S538 WeakPolarHBondContact O-CB 3.22Å; K534-S538 PolarHBondContact O-N 2.87Å; K534-S538 PolarHBondContact O-OG 3.34Å; K534-I567 HydrophobicContact CB-CG2 4.39Å; K534-I567 HydrophobicContact CG-CG2 4.16Å; K534-V570 WeakPolarHBondContact CE-O 3.37Å; K534-V570 PolarHBondContact NZ-O 2.87Å; K534-R571 PolarHBondContact NZ-O 2.96Å; K534-I573 HydrophobicContact CG-CG1 3.59Å
535	Q	94.1	Very high	92.3	Very high	57 Å²	57	37.4 Å²	37.4	27%	0.266	18%	0.183	S	C	.	.	H	α-helix	trans	-64	-43.6	176.2	-75.3	177.2	32.5	0	0	111.9	I108 N531 N532 L533 S538 F539 L613	I108-Q535 HydrophobicContact CG2-CG 4.46Å; N531-Q535 WeakPolarHBondContact O-CB 3.44Å; N531-Q535 VanDerWaalsContact O-CG 3.31Å; N531-Q535 WeakPolarHBondContact O-CG 3.32Å; N531-Q535 PolarHBondContact O-N 3.45Å; N532-Q535 PolarHBondContact O-N 3.42Å; L533-Q535 VanDerWaalsContact C-N 3.34Å; L533-Q535 PolarHBondContact O-N 3.46Å; Q535-S538 PolarHBondContact O-N 2.95Å; Q535-F539 VanDerWaalsContact O-CB 3.24Å; Q535-F539 WeakPolarHBondContact O-CB 3.46Å; Q535-F539 PolarHBondContact O-N 2.94Å; Q535-L613 HydrophobicContact CB-CD2 3.99Å
536	L	94.9	Very high	92.3	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-57.5	-52	177.9	179.6	65.2	0	0	0	111.3	N532 L533 S538 F539 Y540 L583 V590 L594 L613 L617	N532-L536 WeakPolarHBondContact O-CB 3.36Å; N532-L536 PolarHBondContact O-N 2.89Å; L533-L536 PolarHBondContact O-N 3.02Å; L536-S538 VanDerWaalsContact C-N 3.33Å; L536-S538 PolarHBondContact O-N 2.85Å; L536-F539 WeakPolarHBondContact O-CB 3.29Å; L536-F539 PolarHBondContact O-N 3.1Å; L536-Y540 HydrophobicContact CD1-CD2 4.4Å; L536-Y540 HydrophobicContact CD1-CE2 3.78Å; L536-Y540 HydrophobicContact CG-CE2 4.44Å; L536-Y540 VanDerWaalsContact O-CD2 3.24Å; L536-Y540 WeakPolarHBondContact O-CD2 3.48Å; L536-Y540 PolarHBondContact O-N 3.32Å; L536-L583 HydrophobicContact CD2-CD1 3.86Å; L536-L583 HydrophobicContact CD2-CD2 4.2Å; L536-V590 HydrophobicContact CD1-CG1 4.38Å; L536-L594 HydrophobicContact CD1-CD1 4.11Å; L536-L613 HydrophobicContact CB-CD2 4.01Å; L536-L613 HydrophobicContact CD1-CB 4.39Å; L536-L613 HydrophobicContact CD1-CD1 4.11Å; L536-L613 HydrophobicContact CD1-CD2 4.48Å; L536-L617 HydrophobicContact CD1-CD1 4.42Å; L536-L617 HydrophobicContact CD2-CD1 4.29Å; L536-L617 HydrophobicContact CD2-CD2 4.35Å
537	L	94.4	Very high	92.2	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-66.6	-38.9	-179.6	-61.3	176.7	0	0	0	111.1	L533 Y540 R541 L557 T561 L564 I567 I573 V579	L533-L537 WeakPolarHBondContact O-CG 3.26Å; L533-L537 PolarHBondContact O-N 3.27Å; L537-Y540 PolarHBondContact O-N 3.38Å; L537-R541 WeakPolarHBondContact O-CB 3.26Å; L537-R541 PolarHBondContact O-N 2.76Å; L537-L557 HydrophobicContact CD2-CD1 4.01Å; L537-T561 HydrophobicContact CB-CG2 4.32Å; L537-T561 HydrophobicContact CD2-CG2 4.24Å; L537-T561 WeakPolarHBondContact CD2-OG1 3.49Å; L537-L564 HydrophobicContact CD1-CD1 3.77Å; L537-I567 HydrophobicContact CB-CD1 3.56Å; L537-I567 HydrophobicContact CB-CG1 4.24Å; L537-I567 HydrophobicContact CB-CG2 4.4Å; L537-I567 WeakPolarHBondContact O-CD1 3.4Å; L537-I573 HydrophobicContact CD1-CD1 3.76Å; L537-I573 HydrophobicContact CD1-CG1 4.11Å; L537-I573 HydrophobicContact CD1-CG2 3.63Å; L537-V579 HydrophobicContact CD1-CG1 3.9Å; L537-V579 HydrophobicContact CD2-CG1 4.18Å
538	S	93.3	Very high	92.2	Very high	4 Å²	4	35.8 Å²	35.8	3%	0.028	18%	0.183	C	C	.	.	H	α-helix	trans	-65.7	-39.7	180	-64.2	0	0	0	0	111.8	K534 Q535 L536 Y540 R541 Y542	K534-S538 WeakPolarHBondContact O-CB 3.22Å; K534-S538 PolarHBondContact O-N 2.87Å; K534-S538 PolarHBondContact O-OG 3.34Å; Q535-S538 PolarHBondContact O-N 2.95Å; L536-S538 VanDerWaalsContact C-N 3.33Å; L536-S538 PolarHBondContact O-N 2.85Å; S538-Y540 PolarHBondContact O-N 3.49Å; S538-R541 PolarHBondContact O-N 2.93Å; S538-Y542 VanDerWaalsContact O-CD2 3.29Å; S538-Y542 WeakPolarHBondContact O-CD2 3.34Å; S538-Y542 PolarHBondContact O-N 2.96Å
539	F	92.1	Very high	92.2	Very high	12 Å²	12	33.9 Å²	33.9	5%	0.053	17%	0.171	C	C	.	.	H	α-helix	trans	-56.5	-39.2	177.3	178	-107.7	0	0	0	112	Q535 L536 M546 L594 I597 A606 I609 A610 L613	Q535-F539 VanDerWaalsContact O-CB 3.24Å; Q535-F539 WeakPolarHBondContact O-CB 3.46Å; Q535-F539 PolarHBondContact O-N 2.94Å; L536-F539 WeakPolarHBondContact O-CB 3.29Å; L536-F539 PolarHBondContact O-N 3.1Å; F539-M546 HydrophobicContact CD1-CE 3.99Å; F539-M546 HydrophobicContact CE1-CE 3.08Å; F539-M546 HydrophobicContact CE2-CE 4.07Å; F539-M546 HydrophobicContact CZ-CE 3.14Å; F539-L594 HydrophobicContact CD1-CD2 4.25Å; F539-L594 HydrophobicContact CE1-CD2 3.8Å; F539-I597 HydrophobicContact CE1-CD1 4.24Å; F539-I597 HydrophobicContact CZ-CD1 4.5Å; F539-I597 HydrophobicContact CZ-CG2 4.24Å; F539-A606 HydrophobicContact CE2-CB 4.43Å; F539-I609 HydrophobicContact CD2-CB 4.36Å; F539-I609 HydrophobicContact CD2-CG2 3.67Å; F539-I609 HydrophobicContact CE2-CB 4.25Å; F539-I609 HydrophobicContact CE2-CG2 4.02Å; F539-I609 HydrophobicContact CG-CG2 4.39Å; F539-A610 HydrophobicContact CE1-CB 4.44Å; F539-A610 HydrophobicContact CZ-CB 3.92Å; F539-L613 HydrophobicContact CB-CD1 3.84Å; F539-L613 HydrophobicContact CD1-CD1 3.93Å; F539-L613 HydrophobicContact CD2-CD1 4.4Å; F539-L613 HydrophobicContact CG-CD1 3.82Å
540	Y	92.1	Very high	92.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-81.5	-50.2	173.8	-67.7	-64.6	0	0	0	112.7	L536 L537 S538 Y542 S543 M546 M547 L550 H593 L594	L536-Y540 HydrophobicContact CD1-CD2 4.4Å; L536-Y540 HydrophobicContact CD1-CE2 3.78Å; L536-Y540 HydrophobicContact CG-CE2 4.44Å; L536-Y540 VanDerWaalsContact O-CD2 3.24Å; L536-Y540 WeakPolarHBondContact O-CD2 3.48Å; L536-Y540 PolarHBondContact O-N 3.32Å; L537-Y540 PolarHBondContact O-N 3.38Å; S538-Y540 PolarHBondContact O-N 3.49Å; Y540-Y542 PolarHBondContact O-N 3.21Å; Y540-S543 PolarHBondContact O-N 3.3Å; Y540-M546 HydrophobicContact CD1-CB 3.96Å; Y540-M546 HydrophobicContact CE1-CE 4.43Å; Y540-M547 WeakPolarHBondContact O-CB 3.38Å; Y540-L550 HydrophobicContact CD1-CB 3.95Å; Y540-L550 HydrophobicContact CD1-CD1 4.09Å; Y540-L550 HydrophobicContact CD1-CD2 4.1Å; Y540-L550 HydrophobicContact CD1-CG 4.27Å; Y540-L550 HydrophobicContact CD2-CD1 4.29Å; Y540-L550 HydrophobicContact CD2-CD2 4.03Å; Y540-L550 HydrophobicContact CE1-CB 4.3Å; Y540-L550 HydrophobicContact CE1-CD1 3.88Å; Y540-L550 HydrophobicContact CE2-CD1 4.05Å; Y540-L550 HydrophobicContact CG-CB 4.46Å; Y540-L550 HydrophobicContact CG-CD1 4.31Å; Y540-L550 HydrophobicContact CG-CD2 3.76Å; Y540-L550 HydrophobicContact CG-CG 4.41Å; Y540-H593 AromaticContact CE1-CE1 3.71Å; Y540-H593 AromaticContact CE1-ND1 3.49Å; Y540-H593 WeakPolarHBondContact CE1-ND1 3.46Å; Y540-H593 AromaticContact CZ-ND1 3.9Å; Y540-H593 PolarHBondContact OH-ND1 2.66Å; Y540-L594 WeakPolarHBondContact OH-CD2 3.45Å; Y540-L594 WeakPolarHBondContact OH-CG 3.47Å
541	R	90.7	Very high	92	Very high	75 Å²	75	38.9 Å²	38.9	28%	0.283	19%	0.189	S	C	.	.	H	α-helix	trans	-60.9	-42.3	-170.9	179.7	58.5	162.9	-179.8	-11	113.8	L537 S538 T561 E562 G565 I567	L537-R541 WeakPolarHBondContact O-CB 3.26Å; L537-R541 PolarHBondContact O-N 2.76Å; S538-R541 PolarHBondContact O-N 2.93Å; R541-T561 HydrophobicContact CB-CG2 4.05Å; R541-E562 PolarHBondContact NH2-O 2.93Å; R541-E562 VanDerWaalsContact NH2-O 3.12Å; R541-G565 PolarHBondContact NE-O 3.44Å; R541-G565 VanDerWaalsContact NE-O 3.16Å; R541-G565 PolarHBondContact NH2-O 3.48Å; R541-I567 HydrophobicContact CB-CD1 3.39Å; R541-I567 HydrophobicContact CG-CD1 3.69Å; R541-I567 HydrophobicContact CG-CG1 4.41Å
542	Y	89.4	Confident	92	Very high	50 Å²	50	40.3 Å²	40.3	20%	0.196	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-1.8	-175.5	-57.5	-62.6	0	0	0	113.4	F109 S538 Y540 D566 I567	F109-Y542 HydrophobicContact CD1-CE2 4.28Å; F109-Y542 HydrophobicContact CE1-CD2 4.36Å; F109-Y542 AromaticContact CE1-CE2 3.77Å; F109-Y542 HydrophobicContact CE1-CE2 3.77Å; S538-Y542 VanDerWaalsContact O-CD2 3.29Å; S538-Y542 WeakPolarHBondContact O-CD2 3.34Å; S538-Y542 PolarHBondContact O-N 2.96Å; Y540-Y542 PolarHBondContact O-N 3.21Å; Y542-D566 PolarHBondContact OH-OD1 3.02Å; Y542-I567 HydrophobicContact CE2-CD1 4.43Å
543	S	88.8	Confident	91.8	Very high	13 Å²	13	40.7 Å²	40.7	9%	0.091	21%	0.209	C	C	.	.			trans	-112.7	103.4	170.9	-177.7	0	0	0	0	110.6	Y540 R545 M546 M547	Y540-S543 PolarHBondContact O-N 3.3Å; S543-R545 PolarHBondContact O-N 3.29Å; S543-R545 VanDerWaalsContact O-N 3.1Å; S543-M546 PolarHBondContact O-N 2.9Å; S543-M546 VanDerWaalsContact O-N 3.08Å; S543-M546 WeakPolarHBondContact OG-CG 3.41Å; S543-M547 PolarHBondContact O-N 3.43Å
544	P	87.9	Confident	91.7	Very high	103 Å²	103	40.6 Å²	40.6	67%	0.669	21%	0.208	S	C	*	.	H	α-helix	trans	-55.9	-33.6	-176.6	-26.7	34.1	0	0	0	113.8	A548	P544-A548 WeakPolarHBondContact O-CB 3.41Å; P544-A548 PolarHBondContact O-N 3Å
545	R	89.2	Confident	91.6	Very high	112 Å²	112	41.8 Å²	41.8	42%	0.423	22%	0.221	S	C	.	.	H	α-helix	trans	-67	-52.5	176.5	178.9	-177.8	164.9	178.5	-2.3	111.1	S543 M547 A548 E549 R603	S543-R545 PolarHBondContact O-N 3.29Å; S543-R545 VanDerWaalsContact O-N 3.1Å; R545-M547 PolarHBondContact O-N 2.92Å; R545-A548 WeakPolarHBondContact O-CB 3.38Å; R545-A548 PolarHBondContact O-N 3.25Å; R545-E549 IonicContact CZ-OE1 3.78Å; R545-E549 IonicContact NE-OE1 2.66Å; R545-E549 PolarHBondContact NE-OE1 3.01Å; R545-E549 IonicContact NH2-OE1 3.54Å; R545-E549 PolarHBondContact NH2-OE1 3.25Å; R545-E549 PolarHBondContact O-N 3.21Å; R545-R603 VanDerWaalsContact NH1-CZ 3.35Å; R545-R603 VanDerWaalsContact NH1-NH1 3.15Å
546	M	88.9	Confident	91.7	Very high	10 Å²	10	40.4 Å²	40.4	5%	0.049	22%	0.216	C	C	.	.	H	α-helix	trans	-62.8	-35.5	-179.2	-57.4	-70.9	-75	0	0	110.8	F539 Y540 S543 E549 L550 I597	F539-M546 HydrophobicContact CD1-CE 3.99Å; F539-M546 HydrophobicContact CE1-CE 3.08Å; F539-M546 HydrophobicContact CE2-CE 4.07Å; F539-M546 HydrophobicContact CZ-CE 3.14Å; Y540-M546 HydrophobicContact CD1-CB 3.96Å; Y540-M546 HydrophobicContact CE1-CE 4.43Å; S543-M546 PolarHBondContact O-N 2.9Å; S543-M546 VanDerWaalsContact O-N 3.08Å; S543-M546 WeakPolarHBondContact OG-CG 3.41Å; M546-E549 PolarHBondContact O-N 2.82Å; M546-L550 VanDerWaalsContact O-CB 3.3Å; M546-L550 WeakPolarHBondContact O-CB 3.2Å; M546-L550 PolarHBondContact O-N 2.98Å; M546-I597 HydrophobicContact CE-CD1 3.18Å; M546-I597 HydrophobicContact CE-CG1 3.98Å; M546-I597 HydrophobicContact CE-CG2 4.25Å; M546-I597 HydrophobicContact SD-CD1 4.15Å
547	M	91.4	Very high	91.6	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.02	22%	0.216	C	C	.	.	H	α-helix	trans	-65.6	-39.4	173.2	-160.4	61.5	-170.5	0	0	112.5	Y540 S543 R545 L550 R551 S558 T561 E562	Y540-M547 WeakPolarHBondContact O-CB 3.38Å; S543-M547 PolarHBondContact O-N 3.43Å; R545-M547 PolarHBondContact O-N 2.92Å; M547-L550 PolarHBondContact O-N 2.98Å; M547-L550 HydrophobicContact SD-CD2 4.2Å; M547-R551 WeakPolarHBondContact O-CG 3.06Å; M547-R551 PolarHBondContact O-N 2.94Å; M547-S558 WeakPolarHBondContact CE-O 3.48Å; M547-T561 HydrophobicContact CE-CG2 4.3Å; M547-E562 HydrophobicContact CE-CG 3.46Å; M547-E562 VanDerWaalsContact CE-CG 3.46Å
548	A	91.7	Very high	91.5	Very high	49 Å²	49	40.6 Å²	40.6	41%	0.405	22%	0.218	S	C	.	.	H	α-helix	trans	-66.5	-41.1	175	0	0	0	0	0	112.2	P544 R545 R551 S552	P544-A548 WeakPolarHBondContact O-CB 3.41Å; P544-A548 PolarHBondContact O-N 3Å; R545-A548 WeakPolarHBondContact O-CB 3.38Å; R545-A548 PolarHBondContact O-N 3.25Å; A548-R551 PolarHBondContact O-N 3.21Å; A548-S552 PolarHBondContact O-N 2.7Å
549	E	91.1	Very high	91.5	Very high	48 Å²	48	44 Å²	44	22%	0.224	23%	0.233	C	C	.	.	H	α-helix	trans	-64.1	-41.8	174.1	-68.6	169.5	-178.7	0	0	110.6	R545 M546 S552 T553 H593	R545-E549 IonicContact CZ-OE1 3.78Å; R545-E549 IonicContact NE-OE1 2.66Å; R545-E549 PolarHBondContact NE-OE1 3.01Å; R545-E549 IonicContact NH2-OE1 3.54Å; R545-E549 PolarHBondContact NH2-OE1 3.25Å; R545-E549 PolarHBondContact O-N 3.21Å; M546-E549 PolarHBondContact O-N 2.82Å; E549-S552 PolarHBondContact O-N 3.14Å; E549-S552 VanDerWaalsContact O-N 3.16Å; E549-S552 PolarHBondContact O-OG 3.46Å; E549-T553 PolarHBondContact O-N 2.91Å; E549-T553 VanDerWaalsContact O-N 3.07Å; E549-T553 PolarHBondContact O-OG1 3.44Å; E549-H593 IonicContact OE2-CE1 3.25Å; E549-H593 IonicContact OE2-NE2 2.63Å; E549-H593 PolarHBondContact OE2-NE2 3.37Å
550	L	91.3	Very high	91.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.4	-43.1	174.3	-168.3	76	0	0	0	112.1	Y540 M546 M547 S552 T553 A554 L557 V590	Y540-L550 HydrophobicContact CD1-CB 3.95Å; Y540-L550 HydrophobicContact CD1-CD1 4.09Å; Y540-L550 HydrophobicContact CD1-CD2 4.1Å; Y540-L550 HydrophobicContact CD1-CG 4.27Å; Y540-L550 HydrophobicContact CD2-CD1 4.29Å; Y540-L550 HydrophobicContact CD2-CD2 4.03Å; Y540-L550 HydrophobicContact CE1-CB 4.3Å; Y540-L550 HydrophobicContact CE1-CD1 3.88Å; Y540-L550 HydrophobicContact CE2-CD1 4.05Å; Y540-L550 HydrophobicContact CG-CB 4.46Å; Y540-L550 HydrophobicContact CG-CD1 4.31Å; Y540-L550 HydrophobicContact CG-CD2 3.76Å; Y540-L550 HydrophobicContact CG-CG 4.41Å; M546-L550 VanDerWaalsContact O-CB 3.3Å; M546-L550 WeakPolarHBondContact O-CB 3.2Å; M546-L550 PolarHBondContact O-N 2.98Å; M547-L550 PolarHBondContact O-N 2.98Å; M547-L550 HydrophobicContact SD-CD2 4.2Å; L550-S552 PolarHBondContact O-N 3.39Å; L550-S552 VanDerWaalsContact O-N 3.14Å; L550-T553 WeakPolarHBondContact CA-OG1 3.35Å; L550-T553 PolarHBondContact O-N 3.04Å; L550-T553 VanDerWaalsContact O-N 3.13Å; L550-T553 PolarHBondContact O-OG1 2.94Å; L550-A554 HydrophobicContact CD1-CB 3.67Å; L550-A554 HydrophobicContact CG-CB 4.18Å; L550-A554 CarbonylContact O-C 3.54Å; L550-A554 VanDerWaalsContact O-C 3.23Å; L550-A554 WeakPolarHBondContact O-CA 3.41Å; L550-A554 PolarHBondContact O-N 3.36Å; L550-L557 HydrophobicContact CD2-CG 4.49Å; L550-V590 HydrophobicContact CD1-CG2 4.25Å
551	R	93.1	Very high	91.3	Very high	115 Å²	115	45.3 Å²	45.3	43%	0.434	24%	0.239	S	C	.	.	H	α-helix	trans	-57.2	-30.6	175.7	-75.4	-177	-154.6	104.9	-2.5	112.8	M547 A548 E562	M547-R551 WeakPolarHBondContact O-CG 3.06Å; M547-R551 PolarHBondContact O-N 2.94Å; A548-R551 PolarHBondContact O-N 3.21Å; R551-E562 IonicContact CZ-OE1 3.62Å; R551-E562 IonicContact NE-OE1 3.52Å; R551-E562 PolarHBondContact NE-OE1 3.47Å; R551-E562 IonicContact NH2-OE1 3.56Å; R551-E562 PolarHBondContact NH2-OE1 2.91Å
552	S	91.9	Very high	91.2	Very high	97 Å²	97	45 Å²	45	68%	0.678	24%	0.241	S	C	*	.	H	α-helix	trans	-82.6	-32.3	178.3	73.1	0	0	0	0	113.7	A548 E549 L550	A548-S552 PolarHBondContact O-N 2.7Å; E549-S552 PolarHBondContact O-N 3.14Å; E549-S552 VanDerWaalsContact O-N 3.16Å; E549-S552 PolarHBondContact O-OG 3.46Å; L550-S552 PolarHBondContact O-N 3.39Å; L550-S552 VanDerWaalsContact O-N 3.14Å
553	T	91.6	Very high	91	Very high	54 Å²	54	49.3 Å²	49.3	33%	0.331	26%	0.261	S	S	.	.	H	α-helix	trans	-98	-45.7	-173.5	49.8	0	0	0	0	112.6	E549 L550 E589	E549-T553 PolarHBondContact O-N 2.91Å; E549-T553 VanDerWaalsContact O-N 3.07Å; E549-T553 PolarHBondContact O-OG1 3.44Å; L550-T553 WeakPolarHBondContact CA-OG1 3.35Å; L550-T553 PolarHBondContact O-N 3.04Å; L550-T553 VanDerWaalsContact O-N 3.13Å; L550-T553 PolarHBondContact O-OG1 2.94Å; T553-E589 WeakPolarHBondContact O-CB 3.38Å; T553-E589 VanDerWaalsContact O-CG 3.29Å; T553-E589 WeakPolarHBondContact O-CG 3.36Å
554	A	93.7	Very high	90.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.265	C	S	.	.			trans	-129.6	75.6	-176.3	0	0	0	0	0	110.5	L550 T556 S558 D586 E589 V590	L550-A554 HydrophobicContact CD1-CB 3.67Å; L550-A554 HydrophobicContact CG-CB 4.18Å; L550-A554 CarbonylContact O-C 3.54Å; L550-A554 VanDerWaalsContact O-C 3.23Å; L550-A554 WeakPolarHBondContact O-CA 3.41Å; L550-A554 PolarHBondContact O-N 3.36Å; A554-T556 VanDerWaalsContact C-N 3.34Å; A554-T556 PolarHBondContact O-N 2.87Å; A554-S558 WeakPolarHBondContact O-CB 3.31Å; A554-S558 PolarHBondContact O-N 3Å; A554-S558 VanDerWaalsContact O-N 3.1Å; A554-D586 WeakPolarHBondContact CA-OD2 3.37Å; A554-D586 HydrophobicContact CB-CB 3.54Å; A554-E589 HydrophobicContact CB-CB 4.26Å; A554-V590 HydrophobicContact CB-CG2 3.85Å
555	P	92.9	Very high	90.4	Very high	71 Å²	71	46.7 Å²	46.7	46%	0.461	25%	0.247	S	C	.	.	H	α-helix	trans	-66.5	-33.7	-171.1	26.2	-34.4	0	0	0	112.9	S558 E559	P555-S558 WeakPolarHBondContact CA-OG 3.19Å; P555-S558 PolarHBondContact O-N 2.98Å; P555-S558 PolarHBondContact O-OG 3.45Å; P555-E559 PolarHBondContact O-N 3.31Å
556	T	94.4	Very high	90.1	Very high	27 Å²	27	44.4 Å²	44.4	17%	0.166	24%	0.243	C	C	.	.	H	α-helix	trans	-67.6	-49	-178.3	-36.8	0	0	0	0	110.7	A554 S558 E559 E560 A582 K585 D586	A554-T556 VanDerWaalsContact C-N 3.34Å; A554-T556 PolarHBondContact O-N 2.87Å; T556-S558 VanDerWaalsContact C-N 3.26Å; T556-S558 PolarHBondContact O-N 3.24Å; T556-E559 PolarHBondContact O-N 3.01Å; T556-E560 PolarHBondContact O-N 2.85Å; T556-A582 HydrophobicContact CG2-CB 3.78Å; T556-K585 HydrophobicContact CG2-CD 4.01Å; T556-K585 WeakPolarHBondContact OG1-CD 3.47Å; T556-K585 WeakPolarHBondContact OG1-CE 3.49Å; T556-K585 PolarHBondContact OG1-NZ 3.04Å; T556-D586 VanDerWaalsContact CA-OD2 3.25Å; T556-D586 WeakPolarHBondContact CA-OD2 3.38Å; T556-D586 WeakPolarHBondContact CB-OD1 3.45Å; T556-D586 WeakPolarHBondContact CB-OD2 3.18Å; T556-D586 PolarHBondContact N-OD2 3.01Å; T556-D586 PolarHBondContact OG1-OD1 3.35Å; T556-D586 PolarHBondContact OG1-OD2 2.92Å
557	L	93.9	Very high	90	Very high	1 Å²	1	44 Å²	44	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-64.7	-36.3	177.8	-176.7	63	0	0	0	110.9	L537 L550 T561 V579 A582 L583 D586 V590	L537-L557 HydrophobicContact CD2-CD1 4.01Å; L550-L557 HydrophobicContact CD2-CG 4.49Å; L557-T561 VanDerWaalsContact O-CB 3.29Å; L557-T561 WeakPolarHBondContact O-CB 3.29Å; L557-T561 PolarHBondContact O-N 3.27Å; L557-T561 PolarHBondContact O-OG1 3.03Å; L557-V579 HydrophobicContact CD1-CG1 4.49Å; L557-A582 HydrophobicContact CB-CB 4.44Å; L557-A582 HydrophobicContact CD1-CB 4.35Å; L557-L583 HydrophobicContact CD1-CB 4.17Å; L557-L583 HydrophobicContact CD2-CD1 4Å; L557-D586 PolarHBondContact N-OD2 3.26Å; L557-V590 HydrophobicContact CD2-CG2 3.62Å
558	S	92.4	Very high	89.4	Confident	8 Å²	8	49.9 Å²	49.9	6%	0.056	26%	0.263	C	S	.	.	H	α-helix	trans	-61.2	-46.4	177.5	80.5	0	0	0	0	112.1	M547 A554 P555 T556 T561 E562	M547-S558 WeakPolarHBondContact CE-O 3.48Å; A554-S558 WeakPolarHBondContact O-CB 3.31Å; A554-S558 PolarHBondContact O-N 3Å; A554-S558 VanDerWaalsContact O-N 3.1Å; P555-S558 WeakPolarHBondContact CA-OG 3.19Å; P555-S558 PolarHBondContact O-N 2.98Å; P555-S558 PolarHBondContact O-OG 3.45Å; T556-S558 VanDerWaalsContact C-N 3.26Å; T556-S558 PolarHBondContact O-N 3.24Å; S558-T561 PolarHBondContact O-N 3.44Å; S558-E562 WeakPolarHBondContact O-CG 3.15Å; S558-E562 PolarHBondContact O-N 3.33Å; S558-E562 VanDerWaalsContact O-N 3.07Å
559	E	92.4	Very high	88.8	Confident	74 Å²	74	49.8 Å²	49.8	35%	0.346	26%	0.262	S	S	.	.	H	α-helix	trans	-62.3	-48.8	-179.5	-176.3	178.8	-179.5	0	0	110.9	R2 P555 T556 T561 E562 F563	R2-E559 IonicContact NH2-OE1 2.71Å; R2-E559 PolarHBondContact NH2-OE1 3.5Å; P555-E559 PolarHBondContact O-N 3.31Å; T556-E559 PolarHBondContact O-N 3.01Å; E559-T561 PolarHBondContact O-N 3.49Å; E559-E562 WeakPolarHBondContact O-CB 3.29Å; E559-E562 PolarHBondContact O-N 2.78Å; E559-E562 VanDerWaalsContact O-N 3.13Å; E559-F563 HydrophobicContact CG-CD2 3.83Å; E559-F563 HydrophobicContact CG-CE2 3.3Å; E559-F563 HydrophobicContact CG-CZ 4.08Å; E559-F563 VanDerWaalsContact O-CD2 3.26Å; E559-F563 WeakPolarHBondContact O-CD2 3.32Å; E559-F563 PolarHBondContact O-N 3.4Å; E559-F563 WeakPolarHBondContact OE1-CE2 3.48Å
560	E	91.6	Very high	88.4	Confident	40 Å²	40	48.4 Å²	48.4	19%	0.187	26%	0.257	C	S	.	.	H	α-helix	trans	-66.2	-36.7	179.6	-64.9	-58.4	143.8	0	0	112.6	T556 E562 F563 L564 N578 V579 A582	T556-E560 PolarHBondContact O-N 2.85Å; E560-E562 PolarHBondContact O-N 3.18Å; E560-F563 PolarHBondContact O-N 2.78Å; E560-L564 WeakPolarHBondContact O-CG 3.21Å; E560-L564 PolarHBondContact O-N 2.66Å; E560-N578 HydrophobicContact CG-CB 4.41Å; E560-N578 VanDerWaalsContact OE2-CB 3.27Å; E560-N578 WeakPolarHBondContact OE2-CB 3.31Å; E560-V579 HydrophobicContact CB-CG2 4.26Å; E560-A582 HydrophobicContact CB-CB 4.26Å; E560-A582 HydrophobicContact CG-CB 3.84Å
561	T	88.5	Confident	87.8	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.7	-32.9	174.5	-55.2	0	0	0	0	111.5	L537 R541 M547 L557 S558 E559 I567	L537-T561 HydrophobicContact CB-CG2 4.32Å; L537-T561 HydrophobicContact CD2-CG2 4.24Å; L537-T561 WeakPolarHBondContact CD2-OG1 3.49Å; R541-T561 HydrophobicContact CB-CG2 4.05Å; M547-T561 HydrophobicContact CE-CG2 4.3Å; L557-T561 VanDerWaalsContact O-CB 3.29Å; L557-T561 WeakPolarHBondContact O-CB 3.29Å; L557-T561 PolarHBondContact O-N 3.27Å; L557-T561 PolarHBondContact O-OG1 3.03Å; S558-T561 PolarHBondContact O-N 3.44Å; E559-T561 PolarHBondContact O-N 3.49Å; T561-I567 HydrophobicContact CG2-CD1 4.46Å
562	E	88.1	Confident	87.6	Confident	68 Å²	68	48.3 Å²	48.3	32%	0.318	26%	0.257	S	S	.	.	H	α-helix	trans	-71.6	-41.2	174.8	-68	-176.8	164.2	0	0	112.6	R541 M547 R551 S558 E559 E560 L564 G565	R541-E562 PolarHBondContact NH2-O 2.93Å; R541-E562 VanDerWaalsContact NH2-O 3.12Å; M547-E562 HydrophobicContact CE-CG 3.46Å; M547-E562 VanDerWaalsContact CE-CG 3.46Å; R551-E562 IonicContact CZ-OE1 3.62Å; R551-E562 IonicContact NE-OE1 3.52Å; R551-E562 PolarHBondContact NE-OE1 3.47Å; R551-E562 IonicContact NH2-OE1 3.56Å; R551-E562 PolarHBondContact NH2-OE1 2.91Å; S558-E562 WeakPolarHBondContact O-CG 3.15Å; S558-E562 PolarHBondContact O-N 3.33Å; S558-E562 VanDerWaalsContact O-N 3.07Å; E559-E562 WeakPolarHBondContact O-CB 3.29Å; E559-E562 PolarHBondContact O-N 2.78Å; E559-E562 VanDerWaalsContact O-N 3.13Å; E560-E562 PolarHBondContact O-N 3.18Å; E562-L564 VanDerWaalsContact C-N 3.33Å; E562-L564 PolarHBondContact O-N 3.47Å; E562-G565 PolarHBondContact O-N 2.81Å
563	F	85.8	Confident	87.5	Confident	142 Å²	142	43.7 Å²	43.7	62%	0.623	23%	0.225	S	C	*	.	H	α-helix	trans	-66.9	-30.9	179.5	-74.6	-47.8	0	0	0	113.8	E559 E560 G565	E559-F563 HydrophobicContact CG-CD2 3.83Å; E559-F563 HydrophobicContact CG-CE2 3.3Å; E559-F563 HydrophobicContact CG-CZ 4.08Å; E559-F563 VanDerWaalsContact O-CD2 3.26Å; E559-F563 WeakPolarHBondContact O-CD2 3.32Å; E559-F563 PolarHBondContact O-N 3.4Å; E559-F563 WeakPolarHBondContact OE1-CE2 3.48Å; E560-F563 PolarHBondContact O-N 2.78Å; F563-G565 PolarHBondContact O-N 3.45Å
564	L	82.9	Confident	87.6	Confident	32 Å²	32	41.1 Å²	41.1	17%	0.168	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-23.7	176.4	-80.6	173.6	0	0	0	113.8	L537 E560 E562 V570 I573 E576 V579	L537-L564 HydrophobicContact CD1-CD1 3.77Å; E560-L564 WeakPolarHBondContact O-CG 3.21Å; E560-L564 PolarHBondContact O-N 2.66Å; E562-L564 VanDerWaalsContact C-N 3.33Å; E562-L564 PolarHBondContact O-N 3.47Å; L564-V570 HydrophobicContact CD2-CG2 4.26Å; L564-I573 HydrophobicContact CD1-CD1 4.12Å; L564-E576 HydrophobicContact CD2-CB 4.4Å; L564-E576 HydrophobicContact CD2-CG 3.83Å; L564-V579 HydrophobicContact CD1-CB 4.5Å; L564-V579 HydrophobicContact CD1-CG1 4.22Å; L564-V579 HydrophobicContact CD1-CG2 3.49Å; L564-V579 VanDerWaalsContact CD1-CG2 3.49Å; L564-V579 HydrophobicContact CD2-CG2 3.91Å; L564-V579 HydrophobicContact CG-CG2 3.76Å
565	G	80.9	Confident	87.4	Confident	29 Å²	29	41.1 Å²	41.1	30%	0.299	21%	0.209	S	C	.	.			trans	80.9	-125.5	-179.2	0	0	0	0	0	113.1	R541 E562 F563	R541-G565 PolarHBondContact NE-O 3.44Å; R541-G565 VanDerWaalsContact NE-O 3.16Å; R541-G565 PolarHBondContact NH2-O 3.48Å; E562-G565 PolarHBondContact O-N 2.81Å; F563-G565 PolarHBondContact O-N 3.45Å
566	D	83.1	Confident	87.3	Confident	63 Å²	63	38.6 Å²	38.6	34%	0.337	19%	0.191	S	C	.	.			trans	-87.5	112.1	174.9	-171.3	-4.4	0	0	0	109.5	Y542 R568 A569	Y542-D566 PolarHBondContact OH-OD1 3.02Å; D566-R568 PolarHBondContact O-N 2.79Å; D566-R568 VanDerWaalsContact O-N 3.14Å; D566-R568 IonicContact OD1-CZ 3.05Å; D566-R568 PolarHBondContact OD1-N 3.1Å; D566-R568 IonicContact OD1-NE 3.47Å; D566-R568 PolarHBondContact OD1-NE 2.96Å; D566-R568 VanDerWaalsContact OD1-NE 3.13Å; D566-R568 IonicContact OD1-NH2 3.09Å; D566-R568 IonicContact OD2-CZ 2.78Å; D566-R568 IonicContact OD2-NE 3.39Å; D566-R568 PolarHBondContact OD2-NE 3.47Å; D566-R568 IonicContact OD2-NH2 2.79Å; D566-R568 PolarHBondContact OD2-NH2 2.89Å; D566-A569 HydrophobicContact CB-CB 4.39Å; D566-A569 PolarHBondContact O-N 2.95Å
567	I	86.6	Confident	87.2	Confident	1 Å²	1	39 Å²	39	1%	0.005	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-60.9	-27.9	-176	-63.1	161.1	0	0	0	111.6	K534 L537 R541 Y542 T561 A569 V570 I573	K534-I567 HydrophobicContact CB-CG2 4.39Å; K534-I567 HydrophobicContact CG-CG2 4.16Å; L537-I567 HydrophobicContact CB-CD1 3.56Å; L537-I567 HydrophobicContact CB-CG1 4.24Å; L537-I567 HydrophobicContact CB-CG2 4.4Å; L537-I567 WeakPolarHBondContact O-CD1 3.4Å; R541-I567 HydrophobicContact CB-CD1 3.39Å; R541-I567 HydrophobicContact CG-CD1 3.69Å; R541-I567 HydrophobicContact CG-CG1 4.41Å; Y542-I567 HydrophobicContact CE2-CD1 4.43Å; T561-I567 HydrophobicContact CG2-CD1 4.46Å; I567-A569 VanDerWaalsContact C-N 3.3Å; I567-A569 PolarHBondContact O-N 3.42Å; I567-V570 PolarHBondContact O-N 3.42Å; I567-I573 HydrophobicContact CG2-CD1 4.36Å
568	R	80.6	Confident	87.1	Confident	128 Å²	128	43.5 Å²	43.5	48%	0.483	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-68.8	-29.5	178.8	-65.6	173.5	-60.4	-174.4	6.9	113.1	F109 D566 V570	F109-R568 HydrophobicContact CD2-CG 4.38Å; F109-R568 HydrophobicContact CE1-CG 3.88Å; F109-R568 HydrophobicContact CE2-CG 3.61Å; F109-R568 HydrophobicContact CZ-CG 3.36Å; D566-R568 PolarHBondContact O-N 2.79Å; D566-R568 VanDerWaalsContact O-N 3.14Å; D566-R568 IonicContact OD1-CZ 3.05Å; D566-R568 PolarHBondContact OD1-N 3.1Å; D566-R568 IonicContact OD1-NE 3.47Å; D566-R568 PolarHBondContact OD1-NE 2.96Å; D566-R568 VanDerWaalsContact OD1-NE 3.13Å; D566-R568 IonicContact OD1-NH2 3.09Å; D566-R568 IonicContact OD2-CZ 2.78Å; D566-R568 IonicContact OD2-NE 3.39Å; D566-R568 PolarHBondContact OD2-NE 3.47Å; D566-R568 IonicContact OD2-NH2 2.79Å; D566-R568 PolarHBondContact OD2-NH2 2.89Å; R568-V570 VanDerWaalsContact C-N 3.3Å
569	A	78.2	Confident	87.2	Confident	47 Å²	47	43.3 Å²	43.3	39%	0.388	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-84.5	-7.5	178.1	0	0	0	0	0	112.4	D414 D566 I567 R571	D414-A569 VanDerWaalsContact OD2-CA 3.29Å; D414-A569 WeakPolarHBondContact OD2-CA 3.33Å; D414-A569 VanDerWaalsContact OD2-O 3.06Å; D566-A569 HydrophobicContact CB-CB 4.39Å; D566-A569 PolarHBondContact O-N 2.95Å; I567-A569 VanDerWaalsContact C-N 3.3Å; I567-A569 PolarHBondContact O-N 3.42Å; A569-R571 PolarHBondContact O-N 3.23Å
570	V	82	Confident	87.4	Confident	20 Å²	20	39.9 Å²	39.9	12%	0.121	20%	0.2	C	C	.	.			trans	-81.6	117.8	176.1	-173.5	0	0	0	0	109.1	K534 L564 I567 R568 I573 E576	K534-V570 WeakPolarHBondContact CE-O 3.37Å; K534-V570 PolarHBondContact NZ-O 2.87Å; L564-V570 HydrophobicContact CD2-CG2 4.26Å; I567-V570 PolarHBondContact O-N 3.42Å; R568-V570 VanDerWaalsContact C-N 3.3Å; V570-I573 HydrophobicContact CB-CD1 3.85Å; V570-I573 HydrophobicContact CG1-CD1 3.67Å; V570-I573 HydrophobicContact CG2-CD1 4.32Å; V570-E576 HydrophobicContact CG1-CG 4.33Å
571	R	79.6	Confident	87.5	Confident	88 Å²	88	40.4 Å²	40.4	33%	0.332	21%	0.205	S	C	.	.	S	Bend	trans	-60.1	-53.2	-178.4	-166.3	-177.8	-176.9	142.2	-15.9	112.3	T479 N480 D516 K534 A569	T479-R571 PolarHBondContact O-NH2 3.34Å; T479-R571 VanDerWaalsContact O-NH2 3.09Å; N480-R571 PolarHBondContact OD1-NH1 3.12Å; D516-R571 VanDerWaalsContact CG-NH2 3.31Å; D516-R571 IonicContact OD1-CZ 3.86Å; D516-R571 IonicContact OD1-NE 2.91Å; D516-R571 PolarHBondContact OD1-NE 3.45Å; D516-R571 IonicContact OD1-NH2 3.62Å; D516-R571 IonicContact OD2-CZ 3.69Å; D516-R571 IonicContact OD2-NE 3.71Å; D516-R571 PolarHBondContact OD2-NE 3.4Å; D516-R571 IonicContact OD2-NH2 2.59Å; D516-R571 PolarHBondContact OD2-NH2 3.2Å; K534-R571 PolarHBondContact NZ-O 2.96Å; A569-R571 PolarHBondContact O-N 3.23Å
572	W	87.8	Confident	87.8	Confident	24 Å²	24	40.6 Å²	40.6	9%	0.091	21%	0.206	C	C	.	.			trans	-136.6	113.3	178.4	-70.2	98.9	0	0	0	111.6	L512 L515 D516 S519 E530 I574 G575	L512-W572 HydrophobicContact CD2-CB 3.86Å; L512-W572 HydrophobicContact CD2-CG 4.4Å; L515-W572 HydrophobicContact CB-CD2 4.08Å; L515-W572 HydrophobicContact CB-CG 4.24Å; L515-W572 HydrophobicContact CD1-CB 4.11Å; L515-W572 HydrophobicContact CD1-CD2 4.48Å; L515-W572 HydrophobicContact CD1-CG 4.21Å; D516-W572 PolarHBondContact OD1-NE1 3.39Å; S519-W572 VanDerWaalsContact CB-CH2 3.48Å; E530-W572 HydrophobicContact CB-CE3 3.94Å; E530-W572 HydrophobicContact CB-CZ3 3.74Å; E530-W572 HydrophobicContact CG-CE3 3.66Å; E530-W572 HydrophobicContact CG-CZ3 3.81Å; E530-W572 WeakPolarHBondContact OE1-CA 3.28Å; W572-I574 VanDerWaalsContact C-N 3.29Å; W572-I574 HydrophobicContact CE3-CD1 4.24Å; W572-I574 HydrophobicContact CZ3-CD1 4.3Å; W572-G575 PolarHBondContact O-N 3.44Å; W572-G575 VanDerWaalsContact O-N 3.15Å
573	I	91.3	Very high	88.1	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-67.3	-34.6	169.9	-59.8	-61.6	0	0	0	110.8	E530 L533 K534 L537 L564 I567 V570 G575 E576 V579	E530-I573 VanDerWaalsContact CD-N 3.25Å; E530-I573 PolarHBondContact OE1-N 2.87Å; E530-I573 PolarHBondContact OE2-N 2.88Å; L533-I573 HydrophobicContact CB-CB 4.16Å; L533-I573 HydrophobicContact CB-CG2 3.84Å; L533-I573 HydrophobicContact CD1-CG2 4.26Å; K534-I573 HydrophobicContact CG-CG1 3.59Å; L537-I573 HydrophobicContact CD1-CD1 3.76Å; L537-I573 HydrophobicContact CD1-CG1 4.11Å; L537-I573 HydrophobicContact CD1-CG2 3.63Å; L564-I573 HydrophobicContact CD1-CD1 4.12Å; I567-I573 HydrophobicContact CG2-CD1 4.36Å; V570-I573 HydrophobicContact CB-CD1 3.85Å; V570-I573 HydrophobicContact CG1-CD1 3.67Å; V570-I573 HydrophobicContact CG2-CD1 4.32Å; I573-G575 PolarHBondContact O-N 3.22Å; I573-G575 VanDerWaalsContact O-N 3.14Å; I573-E576 WeakPolarHBondContact O-CB 3.2Å; I573-E576 PolarHBondContact O-N 2.95Å; I573-V579 HydrophobicContact CG2-CG1 4.14Å
574	I	92.7	Very high	88.5	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-33.7	171.3	-66.8	171.9	0	0	0	111.1	L515 L526 L529 E530 L533 W572 E576 L580 L629 I633	L515-I574 HydrophobicContact CD1-CB 4.27Å; L515-I574 HydrophobicContact CD1-CG2 3.93Å; L515-I574 HydrophobicContact CD2-CG2 3.78Å; L526-I574 WeakPolarHBondContact O-CD1 3.45Å; L529-I574 HydrophobicContact CB-CD1 4.13Å; L529-I574 HydrophobicContact CD2-CD1 3.86Å; L529-I574 HydrophobicContact CD2-CG1 4.12Å; L529-I574 HydrophobicContact CG-CD1 3.88Å; L529-I574 HydrophobicContact CG-CG1 4.11Å; E530-I574 HydrophobicContact CB-CD1 3.85Å; E530-I574 HydrophobicContact CB-CG1 4.37Å; E530-I574 WeakPolarHBondContact OE2-CG1 3.27Å; E530-I574 PolarHBondContact OE2-N 2.97Å; L533-I574 HydrophobicContact CD1-CG1 3.79Å; W572-I574 VanDerWaalsContact C-N 3.29Å; W572-I574 HydrophobicContact CE3-CD1 4.24Å; W572-I574 HydrophobicContact CZ3-CD1 4.3Å; I574-E576 PolarHBondContact O-N 3.25Å; I574-L580 WeakPolarHBondContact O-CD1 3.44Å; I574-L629 HydrophobicContact CD1-CD1 4.47Å; I574-L629 HydrophobicContact CG2-CB 4.36Å; I574-L629 HydrophobicContact CG2-CD1 3.7Å; I574-L629 HydrophobicContact CG2-CG 4.43Å; I574-I633 WeakPolarHBondContact O-CD1 3.44Å
575	G	89.1	Confident	88.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	2.3	178.9	0	0	0	0	0	115	H511 W572 I573 P577	H511-G575 PolarHBondContact CD2-O 3.04Å; H511-G575 PolarHBondContact NE2-O 3.31Å; W572-G575 PolarHBondContact O-N 3.44Å; W572-G575 VanDerWaalsContact O-N 3.15Å; I573-G575 PolarHBondContact O-N 3.22Å; I573-G575 VanDerWaalsContact O-N 3.14Å; G575-P577 WeakPolarHBondContact O-CD 3.13Å
576	E	91.6	Very high	89.6	Confident	18 Å²	18	36.6 Å²	36.6	8%	0.084	18%	0.18	C	C	.	.			trans	-105.1	88.1	-178.9	-60.9	-58.2	139.2	0	0	110.5	R509 L564 V570 I573 I574 N578 V579 L580	R509-E576 IonicContact CZ-OE1 3.43Å; R509-E576 VanDerWaalsContact CZ-OE1 3.25Å; R509-E576 IonicContact CZ-OE2 3.11Å; R509-E576 IonicContact NH1-OE1 2.99Å; R509-E576 PolarHBondContact NH1-OE1 3.01Å; R509-E576 IonicContact NH1-OE2 2.61Å; R509-E576 PolarHBondContact NH1-OE2 3.26Å; R509-E576 IonicContact NH2-OE1 2.87Å; R509-E576 IonicContact NH2-OE2 3.78Å; R509-E576 PolarHBondContact NH2-OE2 2.71Å; L564-E576 HydrophobicContact CD2-CB 4.4Å; L564-E576 HydrophobicContact CD2-CG 3.83Å; V570-E576 HydrophobicContact CG1-CG 4.33Å; I573-E576 WeakPolarHBondContact O-CB 3.2Å; I573-E576 PolarHBondContact O-N 2.95Å; I574-E576 PolarHBondContact O-N 3.25Å; E576-N578 PolarHBondContact O-N 3.44Å; E576-V579 HydrophobicContact CB-CB 4Å; E576-V579 HydrophobicContact CB-CG2 3.69Å; E576-V579 WeakPolarHBondContact O-CB 3.25Å; E576-V579 PolarHBondContact O-N 2.79Å; E576-L580 PolarHBondContact O-N 3.24Å; E576-L580 VanDerWaalsContact O-N 3.16Å
577	P	91.8	Very high	90.1	Very high	34 Å²	34	34.1 Å²	34.1	22%	0.221	17%	0.166	C	C	.	.	H	α-helix	trans	-61.9	-31.5	-173.6	24.2	-34.7	0	0	0	112.7	G575 V579 L580 N581 L630 I633	G575-P577 WeakPolarHBondContact O-CD 3.13Å; P577-V579 VanDerWaalsContact C-N 3.3Å; P577-V579 PolarHBondContact O-N 2.87Å; P577-L580 PolarHBondContact O-N 3.3Å; P577-N581 VanDerWaalsContact O-CB 3.31Å; P577-N581 WeakPolarHBondContact O-CB 3.46Å; P577-N581 PolarHBondContact O-N 3.49Å; P577-N581 PolarHBondContact O-ND2 2.83Å; P577-L630 HydrophobicContact CB-CD2 4.08Å; P577-I633 HydrophobicContact CB-CG2 4.22Å; P577-I633 HydrophobicContact CG-CG2 4.29Å
578	N	92.5	Very high	90.3	Very high	97 Å²	97	37.4 Å²	37.4	52%	0.519	18%	0.183	S	C	.	.	H	α-helix	trans	-62.9	-39.8	177.1	-64.7	-12.1	0	0	0	111.6	E560 E576 A582	E560-N578 HydrophobicContact CG-CB 4.41Å; E560-N578 VanDerWaalsContact OE2-CB 3.27Å; E560-N578 WeakPolarHBondContact OE2-CB 3.31Å; E576-N578 PolarHBondContact O-N 3.44Å; N578-A582 VanDerWaalsContact O-CB 3.25Å; N578-A582 WeakPolarHBondContact O-CB 3.33Å; N578-A582 PolarHBondContact O-N 3.35Å
579	V	94.5	Very high	90.9	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.024	18%	0.178	C	C	.	.	H	α-helix	trans	-70.3	-44.4	-179.3	178.6	0	0	0	0	110.4	L537 L557 E560 L564 I573 E576 P577 A582 L583	L537-V579 HydrophobicContact CD1-CG1 3.9Å; L537-V579 HydrophobicContact CD2-CG1 4.18Å; L557-V579 HydrophobicContact CD1-CG1 4.49Å; E560-V579 HydrophobicContact CB-CG2 4.26Å; L564-V579 HydrophobicContact CD1-CB 4.5Å; L564-V579 HydrophobicContact CD1-CG1 4.22Å; L564-V579 HydrophobicContact CD1-CG2 3.49Å; L564-V579 VanDerWaalsContact CD1-CG2 3.49Å; L564-V579 HydrophobicContact CD2-CG2 3.91Å; L564-V579 HydrophobicContact CG-CG2 3.76Å; I573-V579 HydrophobicContact CG2-CG1 4.14Å; E576-V579 HydrophobicContact CB-CB 4Å; E576-V579 HydrophobicContact CB-CG2 3.69Å; E576-V579 WeakPolarHBondContact O-CB 3.25Å; E576-V579 PolarHBondContact O-N 2.79Å; P577-V579 VanDerWaalsContact C-N 3.3Å; P577-V579 PolarHBondContact O-N 2.87Å; V579-A582 PolarHBondContact O-N 2.89Å; V579-L583 WeakPolarHBondContact O-CB 3.49Å; V579-L583 PolarHBondContact O-N 2.79Å
580	L	95.4	Very high	91.7	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-63.6	-43.6	176.4	-63.1	-174.6	0	0	0	111.7	L533 I574 E576 P577 A582 L583 I584 I626 L630	L533-L580 HydrophobicContact CD1-CD2 3.91Å; L533-L580 HydrophobicContact CD2-CD2 4.36Å; I574-L580 WeakPolarHBondContact O-CD1 3.44Å; E576-L580 PolarHBondContact O-N 3.24Å; E576-L580 VanDerWaalsContact O-N 3.16Å; P577-L580 PolarHBondContact O-N 3.3Å; L580-A582 VanDerWaalsContact C-N 3.34Å; L580-A582 PolarHBondContact O-N 3.28Å; L580-L583 PolarHBondContact O-N 3.18Å; L580-I584 WeakPolarHBondContact O-CG1 3.45Å; L580-I584 PolarHBondContact O-N 3.35Å; L580-I626 HydrophobicContact CB-CG2 4.29Å; L580-I626 HydrophobicContact CD1-CG2 4.34Å; L580-I626 HydrophobicContact CD2-CG2 4.16Å; L580-L630 HydrophobicContact CB-CD1 4.11Å; L580-L630 HydrophobicContact CB-CD2 3.97Å; L580-L630 HydrophobicContact CB-CG 4.23Å; L580-L630 HydrophobicContact CD1-CD2 4Å; L580-L630 HydrophobicContact CD1-CG 4.05Å
581	N	95	Very high	92.2	Very high	52 Å²	52	32.7 Å²	32.7	28%	0.278	16%	0.157	S	C	.	.	H	α-helix	trans	-63.7	-38.6	174.8	-78.5	-62.4	0	0	0	112	P577 I584 K585 Y674	P577-N581 VanDerWaalsContact O-CB 3.31Å; P577-N581 WeakPolarHBondContact O-CB 3.46Å; P577-N581 PolarHBondContact O-N 3.49Å; P577-N581 PolarHBondContact O-ND2 2.83Å; N581-I584 PolarHBondContact O-N 3.29Å; N581-K585 WeakPolarHBondContact O-CB 3.22Å; N581-K585 PolarHBondContact O-N 2.94Å; N581-Y674 VanDerWaalsContact OD1-CE1 3.31Å; N581-Y674 WeakPolarHBondContact OD1-CE1 3.27Å; N581-Y674 PolarHBondContact OD1-OH 2.52Å
582	A	94.8	Very high	92.9	Very high	3 Å²	3	31.4 Å²	31.4	3%	0.025	17%	0.165	C	C	.	.	H	α-helix	trans	-66.2	-40.2	176.3	0	0	0	0	0	112.1	T556 L557 E560 N578 V579 L580 K585 D586	T556-A582 HydrophobicContact CG2-CB 3.78Å; L557-A582 HydrophobicContact CB-CB 4.44Å; L557-A582 HydrophobicContact CD1-CB 4.35Å; E560-A582 HydrophobicContact CB-CB 4.26Å; E560-A582 HydrophobicContact CG-CB 3.84Å; N578-A582 VanDerWaalsContact O-CB 3.25Å; N578-A582 WeakPolarHBondContact O-CB 3.33Å; N578-A582 PolarHBondContact O-N 3.35Å; V579-A582 PolarHBondContact O-N 2.89Å; L580-A582 VanDerWaalsContact C-N 3.34Å; L580-A582 PolarHBondContact O-N 3.28Å; A582-K585 PolarHBondContact O-N 2.95Å; A582-D586 PolarHBondContact O-N 3.38Å
583	L	95.1	Very high	93.1	Very high	7 Å²	7	30.7 Å²	30.7	4%	0.037	16%	0.163	C	C	.	.	H	α-helix	trans	-63.8	-41.7	173.6	177.4	61.8	0	0	0	111.9	L533 L536 L557 V579 L580 K585 Y587 L617 I626	L533-L583 HydrophobicContact CD2-CD2 3.78Å; L536-L583 HydrophobicContact CD2-CD1 3.86Å; L536-L583 HydrophobicContact CD2-CD2 4.2Å; L557-L583 HydrophobicContact CD1-CB 4.17Å; L557-L583 HydrophobicContact CD2-CD1 4Å; V579-L583 WeakPolarHBondContact O-CB 3.49Å; V579-L583 PolarHBondContact O-N 2.79Å; L580-L583 PolarHBondContact O-N 3.18Å; L583-K585 VanDerWaalsContact C-N 3.34Å; L583-Y587 WeakPolarHBondContact O-CA 3.47Å; L583-Y587 WeakPolarHBondContact O-CB 3.19Å; L583-Y587 PolarHBondContact O-N 2.9Å; L583-Y587 VanDerWaalsContact O-N 3.08Å; L583-L617 HydrophobicContact CD1-CD2 4.28Å; L583-L617 HydrophobicContact CD2-CD2 4.17Å; L583-I626 HydrophobicContact CD2-CD1 4.38Å
584	I	93.1	Very high	93.2	Very high	28 Å²	28	30.7 Å²	30.7	14%	0.144	16%	0.163	C	C	.	.	H	α-helix	trans	-61.6	-44.9	175.8	-76.4	167.2	0	0	0	110.8	L580 N581 Y587 I626 Y627 L630	L580-I584 WeakPolarHBondContact O-CG1 3.45Å; L580-I584 PolarHBondContact O-N 3.35Å; N581-I584 PolarHBondContact O-N 3.29Å; I584-Y587 VanDerWaalsContact O-CB 3.26Å; I584-Y587 WeakPolarHBondContact O-CB 3.39Å; I584-Y587 PolarHBondContact O-N 2.89Å; I584-I626 HydrophobicContact CD1-CG2 4.24Å; I584-Y627 HydrophobicContact CD1-CD1 4.19Å; I584-Y627 HydrophobicContact CD1-CD2 4.38Å; I584-Y627 HydrophobicContact CD1-CE1 3.85Å; I584-Y627 HydrophobicContact CD1-CE2 4.02Å; I584-Y627 HydrophobicContact CD1-CG 4.47Å; I584-Y627 HydrophobicContact CG1-CE1 4.4Å; I584-Y627 HydrophobicContact CG1-CE2 3.99Å; I584-Y627 HydrophobicContact CG2-CE1 4.31Å; I584-Y627 WeakPolarHBondContact CG2-OH 3.18Å; I584-L630 HydrophobicContact CD1-CD1 3.38Å
585	K	92.3	Very high	93.2	Very high	143 Å²	143	37.3 Å²	37.3	62%	0.622	19%	0.192	S	C	*	.	H	α-helix	trans	-66.5	-44	-176.7	-176.4	-177.6	167.7	-152.6	0	112.8	T556 N581 A582 L583 Y587	T556-K585 HydrophobicContact CG2-CD 4.01Å; T556-K585 WeakPolarHBondContact OG1-CD 3.47Å; T556-K585 WeakPolarHBondContact OG1-CE 3.49Å; T556-K585 PolarHBondContact OG1-NZ 3.04Å; N581-K585 WeakPolarHBondContact O-CB 3.22Å; N581-K585 PolarHBondContact O-N 2.94Å; A582-K585 PolarHBondContact O-N 2.95Å; L583-K585 VanDerWaalsContact C-N 3.34Å; K585-Y587 VanDerWaalsContact C-N 3.33Å
586	D	94.4	Very high	93.3	Very high	10 Å²	10	43 Å²	43	5%	0.053	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	22.6	-178.7	-56.8	-13.5	0	0	0	111.9	A554 T556 L557 A582 L588 E589 V590	A554-D586 WeakPolarHBondContact CA-OD2 3.37Å; A554-D586 HydrophobicContact CB-CB 3.54Å; T556-D586 VanDerWaalsContact CA-OD2 3.25Å; T556-D586 WeakPolarHBondContact CA-OD2 3.38Å; T556-D586 WeakPolarHBondContact CB-OD1 3.45Å; T556-D586 WeakPolarHBondContact CB-OD2 3.18Å; T556-D586 PolarHBondContact N-OD2 3.01Å; T556-D586 PolarHBondContact OG1-OD1 3.35Å; T556-D586 PolarHBondContact OG1-OD2 2.92Å; L557-D586 PolarHBondContact N-OD2 3.26Å; A582-D586 PolarHBondContact O-N 3.38Å; D586-L588 PolarHBondContact O-N 3.23Å; D586-E589 VanDerWaalsContact C-OE2 3.3Å; D586-E589 WeakPolarHBondContact CA-OE2 3.38Å; D586-E589 PolarHBondContact O-N 2.72Å; D586-V590 VanDerWaalsContact O-CG2 3.28Å; D586-V590 WeakPolarHBondContact O-CG2 3.2Å; D586-V590 PolarHBondContact O-N 3.31Å
587	Y	93	Very high	93.2	Very high	10 Å²	10	42.3 Å²	42.3	4%	0.039	22%	0.215	C	C	.	.	H	α-helix	trans	-59	-43.4	-169.6	175.6	-102.2	0	0	0	113.1	L583 I584 K585 L591 L617 V623 F686	L583-Y587 WeakPolarHBondContact O-CA 3.47Å; L583-Y587 WeakPolarHBondContact O-CB 3.19Å; L583-Y587 PolarHBondContact O-N 2.9Å; L583-Y587 VanDerWaalsContact O-N 3.08Å; I584-Y587 VanDerWaalsContact O-CB 3.26Å; I584-Y587 WeakPolarHBondContact O-CB 3.39Å; I584-Y587 PolarHBondContact O-N 2.89Å; K585-Y587 VanDerWaalsContact C-N 3.33Å; Y587-L591 HydrophobicContact CD1-CD1 3.9Å; Y587-L591 HydrophobicContact CE1-CD1 3.32Å; Y587-L591 HydrophobicContact CE1-CG 4.27Å; Y587-L591 HydrophobicContact CE2-CD1 4.15Å; Y587-L591 HydrophobicContact CE2-CG 4.37Å; Y587-L591 VanDerWaalsContact CZ-CD1 3.47Å; Y587-L591 WeakPolarHBondContact O-CG 3.28Å; Y587-L591 PolarHBondContact O-N 3.38Å; Y587-L617 HydrophobicContact CE2-CB 4.22Å; Y587-L617 HydrophobicContact CE2-CD2 4.44Å; Y587-L617 PolarHBondContact OH-O 3.48Å; Y587-V623 HydrophobicContact CE2-CG2 4.29Å; Y587-F686 HydrophobicContact CD1-CD1 4.24Å; Y587-F686 HydrophobicContact CD1-CE1 4.04Å; Y587-F686 AromaticContact CE1-CD1 3.66Å; Y587-F686 HydrophobicContact CE1-CD1 3.66Å; Y587-F686 AromaticContact CE1-CE1 3.89Å; Y587-F686 HydrophobicContact CE1-CE1 3.89Å
588	L	92.1	Very high	93.1	Very high	71 Å²	71	42.2 Å²	42.2	37%	0.372	22%	0.216	S	C	.	.	H	α-helix	trans	-69.5	-39.2	-177.8	-68.7	-178.3	0	0	0	111.8	D586 L591 A592 N687 V689	D586-L588 PolarHBondContact O-N 3.23Å; L588-L591 PolarHBondContact O-N 2.89Å; L588-A592 WeakPolarHBondContact O-CB 3.31Å; L588-A592 PolarHBondContact O-N 2.8Å; L588-N687 HydrophobicContact CD1-CB 4.23Å; L588-N687 HydrophobicContact CD2-CB 3.82Å; L588-N687 WeakPolarHBondContact CD2-O 3.49Å; L588-N687 HydrophobicContact CG-CB 4.22Å; L588-V689 HydrophobicContact CD2-CG2 3.81Å
589	E	93.8	Very high	92.8	Very high	83 Å²	83	41.8 Å²	41.8	39%	0.388	22%	0.22	S	C	.	.	H	α-helix	trans	-67	-43	179.7	-66.3	72	-158.6	0	0	110.5	T553 A554 D586 A592 H593	T553-E589 WeakPolarHBondContact O-CB 3.38Å; T553-E589 VanDerWaalsContact O-CG 3.29Å; T553-E589 WeakPolarHBondContact O-CG 3.36Å; A554-E589 HydrophobicContact CB-CB 4.26Å; D586-E589 VanDerWaalsContact C-OE2 3.3Å; D586-E589 WeakPolarHBondContact CA-OE2 3.38Å; D586-E589 PolarHBondContact O-N 2.72Å; E589-A592 PolarHBondContact O-N 3.31Å; E589-H593 WeakPolarHBondContact O-CB 3.25Å; E589-H593 PolarHBondContact O-N 3.06Å
590	V	93.9	Very high	92.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-62.7	-44.7	174.7	174.7	0	0	0	0	111	L536 L550 A554 L557 D586 H593 L594 L617	L536-V590 HydrophobicContact CD1-CG1 4.38Å; L550-V590 HydrophobicContact CD1-CG2 4.25Å; A554-V590 HydrophobicContact CB-CG2 3.85Å; L557-V590 HydrophobicContact CD2-CG2 3.62Å; D586-V590 VanDerWaalsContact O-CG2 3.28Å; D586-V590 WeakPolarHBondContact O-CG2 3.2Å; D586-V590 PolarHBondContact O-N 3.31Å; V590-H593 PolarHBondContact O-N 3.39Å; V590-L594 HydrophobicContact CG1-CD1 3.95Å; V590-L594 HydrophobicContact CG1-CG 4.41Å; V590-L594 WeakPolarHBondContact O-CB 3.39Å; V590-L594 WeakPolarHBondContact O-CG 3.35Å; V590-L594 PolarHBondContact O-N 2.96Å; V590-L617 HydrophobicContact CG1-CD1 3.7Å
591	L	93.5	Very high	91.1	Very high	12 Å²	12	50.6 Å²	50.6	6%	0.063	27%	0.27	C	S	.	.	H	α-helix	trans	-61.9	-44.9	176.4	-77.6	-179.7	0	0	0	112.5	Y587 L588 H593 L594 K595 L614 L617 M618 V689	Y587-L591 HydrophobicContact CD1-CD1 3.9Å; Y587-L591 HydrophobicContact CE1-CD1 3.32Å; Y587-L591 HydrophobicContact CE1-CG 4.27Å; Y587-L591 HydrophobicContact CE2-CD1 4.15Å; Y587-L591 HydrophobicContact CE2-CG 4.37Å; Y587-L591 VanDerWaalsContact CZ-CD1 3.47Å; Y587-L591 WeakPolarHBondContact O-CG 3.28Å; Y587-L591 PolarHBondContact O-N 3.38Å; L588-L591 PolarHBondContact O-N 2.89Å; L591-H593 VanDerWaalsContact C-N 3.32Å; L591-H593 PolarHBondContact O-N 3.07Å; L591-L594 PolarHBondContact O-N 3.08Å; L591-K595 VanDerWaalsContact O-CB 3.28Å; L591-K595 WeakPolarHBondContact O-CB 3.4Å; L591-K595 PolarHBondContact O-N 2.95Å; L591-L614 HydrophobicContact CB-CD1 4.49Å; L591-L614 HydrophobicContact CD2-CD1 3.55Å; L591-L617 HydrophobicContact CD2-CB 3.54Å; L591-L617 HydrophobicContact CD2-CD1 4.21Å; L591-M618 HydrophobicContact CD2-CG 4.25Å; L591-V689 HydrophobicContact CD1-CB 4.34Å; L591-V689 HydrophobicContact CD1-CG1 4.02Å; L591-V689 HydrophobicContact CD1-CG2 3.76Å
592	A	92.4	Very high	89.9	Confident	61 Å²	61	57 Å²	57	50%	0.504	30%	0.299	S	S	.	.	H	α-helix	trans	-61.1	-44.7	178.8	0	0	0	0	0	111	L588 E589 K595 E596	L588-A592 WeakPolarHBondContact O-CB 3.31Å; L588-A592 PolarHBondContact O-N 2.8Å; E589-A592 PolarHBondContact O-N 3.31Å; A592-K595 WeakPolarHBondContact O-CB 3.34Å; A592-K595 PolarHBondContact O-N 3.26Å; A592-E596 PolarHBondContact O-N 3.35Å
593	H	93.1	Very high	88.9	Confident	9 Å²	9	59.6 Å²	59.6	4%	0.042	31%	0.308	C	S	.	.	H	α-helix	trans	-64.9	-48.4	178.7	-173.7	-140.3	0	0	0	112.1	Y540 E549 E589 V590 L591 K595 E596 I597	Y540-H593 AromaticContact CE1-CE1 3.71Å; Y540-H593 AromaticContact CE1-ND1 3.49Å; Y540-H593 WeakPolarHBondContact CE1-ND1 3.46Å; Y540-H593 AromaticContact CZ-ND1 3.9Å; Y540-H593 PolarHBondContact OH-ND1 2.66Å; E549-H593 IonicContact OE2-CE1 3.25Å; E549-H593 IonicContact OE2-NE2 2.63Å; E549-H593 PolarHBondContact OE2-NE2 3.37Å; E589-H593 WeakPolarHBondContact O-CB 3.25Å; E589-H593 PolarHBondContact O-N 3.06Å; V590-H593 PolarHBondContact O-N 3.39Å; L591-H593 VanDerWaalsContact C-N 3.32Å; L591-H593 PolarHBondContact O-N 3.07Å; H593-K595 VanDerWaalsContact C-N 3.26Å; H593-K595 PolarHBondContact O-N 2.83Å; H593-E596 WeakPolarHBondContact O-CB 3.42Å; H593-E596 PolarHBondContact O-N 3.48Å; H593-E596 VanDerWaalsContact O-N 3.15Å; H593-I597 VanDerWaalsContact CE1-CD1 3.5Å; H593-I597 WeakPolarHBondContact CE1-CD1 3.37Å; H593-I597 WeakPolarHBondContact NE2-CD1 3.45Å; H593-I597 WeakPolarHBondContact O-CD1 3.47Å; H593-I597 WeakPolarHBondContact O-CG1 3.4Å; H593-I597 PolarHBondContact O-N 2.82Å
594	L	93.3	Very high	88.1	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-59.7	-37.6	175.9	-72.1	172	0	0	0	112.1	L536 F539 Y540 V590 L591 I597 S598 A610 L613 L614 L617	L536-L594 HydrophobicContact CD1-CD1 4.11Å; F539-L594 HydrophobicContact CD1-CD2 4.25Å; F539-L594 HydrophobicContact CE1-CD2 3.8Å; Y540-L594 WeakPolarHBondContact OH-CD2 3.45Å; Y540-L594 WeakPolarHBondContact OH-CG 3.47Å; V590-L594 HydrophobicContact CG1-CD1 3.95Å; V590-L594 HydrophobicContact CG1-CG 4.41Å; V590-L594 WeakPolarHBondContact O-CB 3.39Å; V590-L594 WeakPolarHBondContact O-CG 3.35Å; V590-L594 PolarHBondContact O-N 2.96Å; L591-L594 PolarHBondContact O-N 3.08Å; L594-I597 PolarHBondContact O-N 3.48Å; L594-S598 VanDerWaalsContact O-CB 3.27Å; L594-S598 WeakPolarHBondContact O-CB 3.5Å; L594-S598 PolarHBondContact O-N 3.45Å; L594-S598 PolarHBondContact O-OG 3.31Å; L594-A610 HydrophobicContact CD2-CB 4.09Å; L594-L613 HydrophobicContact CD1-CB 4.08Å; L594-L613 HydrophobicContact CD2-CB 4.21Å; L594-L613 HydrophobicContact CD2-CD1 4.34Å; L594-L614 HydrophobicContact CB-CB 4.21Å; L594-L614 HydrophobicContact CB-CD1 4.25Å; L594-L617 HydrophobicContact CD1-CD1 3.74Å
595	K	92.1	Very high	87.7	Confident	141 Å²	141	67 Å²	67	61%	0.613	36%	0.357	S	S	*	.	H	α-helix	trans	-64	-44.4	175.5	-172.4	178.5	-179.5	-177.8	0	111.5	L591 A592 H593 S598 S599 L614	L591-K595 VanDerWaalsContact O-CB 3.28Å; L591-K595 WeakPolarHBondContact O-CB 3.4Å; L591-K595 PolarHBondContact O-N 2.95Å; A592-K595 WeakPolarHBondContact O-CB 3.34Å; A592-K595 PolarHBondContact O-N 3.26Å; H593-K595 VanDerWaalsContact C-N 3.26Å; H593-K595 PolarHBondContact O-N 2.83Å; K595-S598 PolarHBondContact O-N 3.15Å; K595-S598 PolarHBondContact O-OG 3.34Å; K595-S599 PolarHBondContact O-N 2.95Å; K595-L614 HydrophobicContact CB-CD2 4.12Å; K595-L614 HydrophobicContact CG-CD2 4.41Å
596	E	91.3	Very high	87.3	Confident	118 Å²	118	61 Å²	61	55%	0.551	34%	0.335	S	S	*	.	H	α-helix	trans	-58.3	-51.1	174.7	-175.8	178.5	174.5	0	0	111	A592 H593 S598 S599 Q600	A592-E596 PolarHBondContact O-N 3.35Å; H593-E596 WeakPolarHBondContact O-CB 3.42Å; H593-E596 PolarHBondContact O-N 3.48Å; H593-E596 VanDerWaalsContact O-N 3.15Å; E596-S598 PolarHBondContact O-N 2.97Å; E596-S599 PolarHBondContact O-N 3.49Å; E596-S599 VanDerWaalsContact O-N 3.13Å; E596-S599 PolarHBondContact O-OG 3.49Å; E596-Q600 PolarHBondContact O-N 3.44Å
597	I	89.1	Confident	87	Confident	5 Å²	5	61 Å²	61	3%	0.026	34%	0.336	C	S	.	.	H	α-helix	trans	-63	-42.5	-179.3	-62.1	151.5	0	0	0	111.6	F539 M546 H593 L594 S599 Q600 A610	F539-I597 HydrophobicContact CE1-CD1 4.24Å; F539-I597 HydrophobicContact CZ-CD1 4.5Å; F539-I597 HydrophobicContact CZ-CG2 4.24Å; M546-I597 HydrophobicContact CE-CD1 3.18Å; M546-I597 HydrophobicContact CE-CG1 3.98Å; M546-I597 HydrophobicContact CE-CG2 4.25Å; M546-I597 HydrophobicContact SD-CD1 4.15Å; H593-I597 VanDerWaalsContact CE1-CD1 3.5Å; H593-I597 WeakPolarHBondContact CE1-CD1 3.37Å; H593-I597 WeakPolarHBondContact NE2-CD1 3.45Å; H593-I597 WeakPolarHBondContact O-CD1 3.47Å; H593-I597 WeakPolarHBondContact O-CG1 3.4Å; H593-I597 PolarHBondContact O-N 2.82Å; L594-I597 PolarHBondContact O-N 3.48Å; I597-S599 PolarHBondContact O-N 2.93Å; I597-S599 VanDerWaalsContact O-N 3.15Å; I597-Q600 WeakPolarHBondContact O-CB 3.5Å; I597-Q600 PolarHBondContact O-N 3.41Å; I597-A610 HydrophobicContact CB-CB 3.96Å; I597-A610 HydrophobicContact CG2-CB 3.69Å
598	S	90.4	Very high	86.9	Confident	32 Å²	32	63 Å²	63	22%	0.224	36%	0.355	C	S	.	.	H	α-helix	trans	-62.9	-21.8	178.7	72.9	0	0	0	0	113.4	L594 K595 E596	L594-S598 VanDerWaalsContact O-CB 3.27Å; L594-S598 WeakPolarHBondContact O-CB 3.5Å; L594-S598 PolarHBondContact O-N 3.45Å; L594-S598 PolarHBondContact O-OG 3.31Å; K595-S598 PolarHBondContact O-N 3.15Å; K595-S598 PolarHBondContact O-OG 3.34Å; E596-S598 PolarHBondContact O-N 2.97Å
599	S	86.8	Confident	86.8	Confident	87 Å²	87	61.6 Å²	61.6	61%	0.608	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-10.9	176.7	76.1	0	0	0	0	113.6	K595 E596 I597 T601	K595-S599 PolarHBondContact O-N 2.95Å; E596-S599 PolarHBondContact O-N 3.49Å; E596-S599 VanDerWaalsContact O-N 3.13Å; E596-S599 PolarHBondContact O-OG 3.49Å; I597-S599 PolarHBondContact O-N 2.93Å; I597-S599 VanDerWaalsContact O-N 3.15Å; S599-T601 PolarHBondContact O-N 2.97Å
600	Q	85.1	Confident	86.6	Confident	57 Å²	57	57.6 Å²	57.6	27%	0.266	33%	0.328	S	S	.	.			trans	-76.6	123.4	180	-64.4	175.9	8.1	0	0	110.6	E596 I597 A607	E596-Q600 PolarHBondContact O-N 3.44Å; I597-Q600 WeakPolarHBondContact O-CB 3.5Å; I597-Q600 PolarHBondContact O-N 3.41Å; Q600-A607 WeakPolarHBondContact O-CB 3.48Å
601	T	69.4	Low	86.6	Confident	133 Å²	133	61.3 Å²	61.3	82%	0.816	35%	0.348	S	S	*	.	S	Bend	trans	-85.1	-15.2	-178.9	44.1	0	0	0	0	114.2	S599 R603	S599-T601 PolarHBondContact O-N 2.97Å; T601-R603 PolarHBondContact O-N 2.67Å
602	Q	69.6	Low	86.6	Confident	188 Å²	188	64.1 Å²	64.1	88%	0.879	37%	0.365	S	S	*	.	S	Bend	trans	-79	-15.2	-174.3	-64.6	-174.1	3	0	0	113.9
603	R	73.7	Confident	86.6	Confident	57 Å²	57	61.2 Å²	61.2	22%	0.215	34%	0.342	C	S	.	.			trans	-132.6	79.3	178.5	-66.2	-172.3	-175.4	142.4	-4.1	110.4	D119 R545 T601 D605 A606 A607	D119-R603 IonicContact OD1-CZ 2.71Å; D119-R603 IonicContact OD1-NE 2.77Å; D119-R603 PolarHBondContact OD1-NE 3.04Å; D119-R603 IonicContact OD1-NH2 3.1Å; D119-R603 PolarHBondContact OD1-NH2 3.19Å; D119-R603 IonicContact OD2-CZ 3.47Å; D119-R603 IonicContact OD2-NE 3.04Å; D119-R603 PolarHBondContact OD2-NE 3.14Å; D119-R603 IonicContact OD2-NH1 2.64Å; D119-R603 IonicContact OD2-NH2 3.61Å; D119-R603 PolarHBondContact OD2-NH2 2.6Å; R545-R603 VanDerWaalsContact NH1-CZ 3.35Å; R545-R603 VanDerWaalsContact NH1-NH1 3.15Å; T601-R603 PolarHBondContact O-N 2.67Å; R603-D605 VanDerWaalsContact C-N 3.27Å; R603-D605 PolarHBondContact O-N 3.46Å; R603-A606 HydrophobicContact CB-CB 4.04Å; R603-A606 PolarHBondContact O-N 3.3Å; R603-A607 WeakPolarHBondContact O-CB 3.27Å; R603-A607 PolarHBondContact O-N 2.85Å
604	A	79	Confident	86.6	Confident	72 Å²	72	61.6 Å²	61.6	60%	0.595	34%	0.344	S	S	*	.	H	α-helix	trans	-56.2	-40.9	-174.5	0	0	0	0	0	112.7	A608	A604-A608 VanDerWaalsContact O-CB 3.28Å; A604-A608 WeakPolarHBondContact O-CB 3.25Å; A604-A608 PolarHBondContact O-N 3.28Å
605	D	82.9	Confident	86.6	Confident	118 Å²	118	66.2 Å²	66.2	63%	0.631	37%	0.365	S	S	*	.	H	α-helix	trans	-71.2	-47.6	-177.6	-58.4	-33.6	0	0	0	112.2	R603 A607 A608 I609	R603-D605 VanDerWaalsContact C-N 3.27Å; R603-D605 PolarHBondContact O-N 3.46Å; D605-A607 VanDerWaalsContact C-N 3.33Å; D605-A607 PolarHBondContact O-N 3.45Å; D605-A608 PolarHBondContact O-N 2.85Å; D605-I609 WeakPolarHBondContact O-CG1 3.48Å; D605-I609 PolarHBondContact O-N 2.82Å
606	A	84.8	Confident	86.7	Confident	17 Å²	17	60 Å²	60	14%	0.14	34%	0.339	C	S	.	.	H	α-helix	trans	-65.1	-36.8	176.3	0	0	0	0	0	112.1	F539 R603 A610	F539-A606 HydrophobicContact CE2-CB 4.43Å; R603-A606 HydrophobicContact CB-CB 4.04Å; R603-A606 PolarHBondContact O-N 3.3Å; A606-A610 VanDerWaalsContact O-CB 3.27Å; A606-A610 WeakPolarHBondContact O-CB 3.45Å; A606-A610 PolarHBondContact O-N 3.43Å
607	A	88.3	Confident	86.8	Confident	10 Å²	10	54.5 Å²	54.5	8%	0.083	31%	0.313	C	S	.	.	H	α-helix	trans	-67.2	-38.2	175	0	0	0	0	0	111.9	Q600 R603 D605 A610 L611	Q600-A607 WeakPolarHBondContact O-CB 3.48Å; R603-A607 WeakPolarHBondContact O-CB 3.27Å; R603-A607 PolarHBondContact O-N 2.85Å; D605-A607 VanDerWaalsContact C-N 3.33Å; D605-A607 PolarHBondContact O-N 3.45Å; A607-A610 PolarHBondContact O-N 3.45Å; A607-L611 WeakPolarHBondContact O-CB 3.28Å; A607-L611 PolarHBondContact O-N 3.01Å
608	A	89.7	Confident	86.9	Confident	52 Å²	52	56 Å²	56	43%	0.43	32%	0.32	S	S	.	.	H	α-helix	trans	-64.9	-44.7	174.9	0	0	0	0	0	111.8	A604 D605 L611 T612	A604-A608 VanDerWaalsContact O-CB 3.28Å; A604-A608 WeakPolarHBondContact O-CB 3.25Å; A604-A608 PolarHBondContact O-N 3.28Å; D605-A608 PolarHBondContact O-N 2.85Å; A608-L611 WeakPolarHBondContact O-CB 3.49Å; A608-L611 PolarHBondContact O-N 3.15Å; A608-T612 PolarHBondContact O-N 2.65Å
609	I	90.3	Very high	87	Confident	41 Å²	41	55.7 Å²	55.7	21%	0.21	32%	0.316	C	S	.	.	H	α-helix	trans	-64.4	-44.3	174.7	-63.4	166.7	0	0	0	110.6	V112 F539 D605 L611 T612 L613	V112-I609 HydrophobicContact CG2-CD1 4.15Å; F539-I609 HydrophobicContact CD2-CB 4.36Å; F539-I609 HydrophobicContact CD2-CG2 3.67Å; F539-I609 HydrophobicContact CE2-CB 4.25Å; F539-I609 HydrophobicContact CE2-CG2 4.02Å; F539-I609 HydrophobicContact CG-CG2 4.39Å; D605-I609 WeakPolarHBondContact O-CG1 3.48Å; D605-I609 PolarHBondContact O-N 2.82Å; I609-L611 PolarHBondContact O-N 3.45Å; I609-T612 PolarHBondContact O-N 3.25Å; I609-T612 PolarHBondContact O-OG1 2.87Å; I609-L613 HydrophobicContact CG2-CD1 3.91Å; I609-L613 HydrophobicContact CG2-CG 4.28Å; I609-L613 WeakPolarHBondContact O-CB 3.42Å; I609-L613 VanDerWaalsContact O-CG 3.29Å; I609-L613 WeakPolarHBondContact O-CG 3.38Å; I609-L613 PolarHBondContact O-N 3.13Å
610	A	91	Very high	87.2	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.9	-37.5	176.2	0	0	0	0	0	111.7	F539 L594 I597 A606 A607 L614	F539-A610 HydrophobicContact CE1-CB 4.44Å; F539-A610 HydrophobicContact CZ-CB 3.92Å; L594-A610 HydrophobicContact CD2-CB 4.09Å; I597-A610 HydrophobicContact CB-CB 3.96Å; I597-A610 HydrophobicContact CG2-CB 3.69Å; A606-A610 VanDerWaalsContact O-CB 3.27Å; A606-A610 WeakPolarHBondContact O-CB 3.45Å; A606-A610 PolarHBondContact O-N 3.43Å; A607-A610 PolarHBondContact O-N 3.45Å; A610-L614 WeakPolarHBondContact O-CB 3.44Å; A610-L614 PolarHBondContact O-N 3.44Å
611	L	92.3	Very high	87.4	Confident	77 Å²	77	51.4 Å²	51.4	40%	0.403	29%	0.286	S	S	.	.	H	α-helix	trans	-67.3	-41.2	176.5	-176.2	62.7	0	0	0	112.4	A607 A608 I609 L614 Q615	A607-L611 WeakPolarHBondContact O-CB 3.28Å; A607-L611 PolarHBondContact O-N 3.01Å; A608-L611 WeakPolarHBondContact O-CB 3.49Å; A608-L611 PolarHBondContact O-N 3.15Å; I609-L611 PolarHBondContact O-N 3.45Å; L611-L614 PolarHBondContact O-N 2.88Å; L611-Q615 VanDerWaalsContact O-CG 3.26Å; L611-Q615 WeakPolarHBondContact O-CG 3.49Å; L611-Q615 PolarHBondContact O-N 3.4Å
612	T	93.3	Very high	88.5	Confident	71 Å²	71	45.8 Å²	45.8	44%	0.436	25%	0.252	S	S	.	.	H	α-helix	trans	-66.6	-42.3	176.6	55.4	0	0	0	0	111.3	A608 I609 Q615 F616	A608-T612 PolarHBondContact O-N 2.65Å; I609-T612 PolarHBondContact O-N 3.25Å; I609-T612 PolarHBondContact O-OG1 2.87Å; T612-Q615 WeakPolarHBondContact O-CB 3.46Å; T612-Q615 PolarHBondContact O-N 3.25Å; T612-F616 PolarHBondContact O-N 2.9Å
613	L	93.8	Very high	89.6	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-63.9	-39.9	174.9	-66.9	175.4	0	0	0	112.1	Q535 L536 F539 L594 I609 F616 L617	Q535-L613 HydrophobicContact CB-CD2 3.99Å; L536-L613 HydrophobicContact CB-CD2 4.01Å; L536-L613 HydrophobicContact CD1-CB 4.39Å; L536-L613 HydrophobicContact CD1-CD1 4.11Å; L536-L613 HydrophobicContact CD1-CD2 4.48Å; F539-L613 HydrophobicContact CB-CD1 3.84Å; F539-L613 HydrophobicContact CD1-CD1 3.93Å; F539-L613 HydrophobicContact CD2-CD1 4.4Å; F539-L613 HydrophobicContact CG-CD1 3.82Å; L594-L613 HydrophobicContact CD1-CB 4.08Å; L594-L613 HydrophobicContact CD2-CB 4.21Å; L594-L613 HydrophobicContact CD2-CD1 4.34Å; I609-L613 HydrophobicContact CG2-CD1 3.91Å; I609-L613 HydrophobicContact CG2-CG 4.28Å; I609-L613 WeakPolarHBondContact O-CB 3.42Å; I609-L613 VanDerWaalsContact O-CG 3.29Å; I609-L613 WeakPolarHBondContact O-CG 3.38Å; I609-L613 PolarHBondContact O-N 3.13Å; L613-F616 WeakPolarHBondContact O-CB 3.44Å; L613-F616 PolarHBondContact O-N 3.27Å; L613-L617 PolarHBondContact O-N 2.95Å
614	L	93.7	Very high	90.5	Very high	17 Å²	17	34.5 Å²	34.5	9%	0.089	20%	0.202	C	C	.	.	H	α-helix	trans	-61.8	-44.1	173.3	-179	65.6	0	0	0	111	L591 L594 K595 A610 L611 F616 L617 M618	L591-L614 HydrophobicContact CB-CD1 4.49Å; L591-L614 HydrophobicContact CD2-CD1 3.55Å; L594-L614 HydrophobicContact CB-CB 4.21Å; L594-L614 HydrophobicContact CB-CD1 4.25Å; K595-L614 HydrophobicContact CB-CD2 4.12Å; K595-L614 HydrophobicContact CG-CD2 4.41Å; A610-L614 WeakPolarHBondContact O-CB 3.44Å; A610-L614 PolarHBondContact O-N 3.44Å; L611-L614 PolarHBondContact O-N 2.88Å; L614-F616 VanDerWaalsContact C-N 3.31Å; L614-F616 PolarHBondContact O-N 3.48Å; L614-L617 PolarHBondContact O-N 3.46Å; L614-M618 HydrophobicContact CD1-CG 4.42Å; L614-M618 HydrophobicContact CD1-SD 4.27Å; L614-M618 HydrophobicContact CG-SD 4.1Å; L614-M618 WeakPolarHBondContact O-CB 3.34Å; L614-M618 WeakPolarHBondContact O-CG 3.36Å; L614-M618 PolarHBondContact O-N 3.15Å
615	Q	92.8	Very high	91.2	Very high	97 Å²	97	31.2 Å²	31.2	45%	0.453	18%	0.175	S	C	.	.	H	α-helix	trans	-62.5	-38.6	176.3	-73.7	174.6	16.4	0	0	112.3	L611 T612 M618 D619	L611-Q615 VanDerWaalsContact O-CG 3.26Å; L611-Q615 WeakPolarHBondContact O-CG 3.49Å; L611-Q615 PolarHBondContact O-N 3.4Å; T612-Q615 WeakPolarHBondContact O-CB 3.46Å; T612-Q615 PolarHBondContact O-N 3.25Å; Q615-M618 CarbonylContact O-C 3.3Å; Q615-M618 PolarHBondContact O-N 3.47Å; Q615-D619 PolarHBondContact O-N 3.29Å; Q615-D619 VanDerWaalsContact O-N 3.12Å
616	F	94	Very high	91.8	Very high	11 Å²	11	26 Å²	26	5%	0.048	15%	0.146	C	C	.	.	H	α-helix	trans	-61.3	-50.9	173.9	156.4	-111.3	0	0	0	112	L529 N532 L533 T612 L613 L614 M618 D619	L529-F616 HydrophobicContact CD1-CE2 3.61Å; L529-F616 HydrophobicContact CD1-CZ 3.72Å; N532-F616 HydrophobicContact CB-CB 4.43Å; N532-F616 HydrophobicContact CB-CD1 3.86Å; N532-F616 HydrophobicContact CB-CD2 3.53Å; N532-F616 HydrophobicContact CB-CE1 3.93Å; N532-F616 HydrophobicContact CB-CE2 3.6Å; N532-F616 HydrophobicContact CB-CG 3.66Å; N532-F616 HydrophobicContact CB-CZ 3.81Å; N532-F616 WeakPolarHBondContact ND2-CD2 3.17Å; L533-F616 HydrophobicContact CD2-CE1 4.32Å; L533-F616 HydrophobicContact CD2-CZ 4.09Å; L533-F616 HydrophobicContact CG-CZ 4.15Å; T612-F616 PolarHBondContact O-N 2.9Å; L613-F616 WeakPolarHBondContact O-CB 3.44Å; L613-F616 PolarHBondContact O-N 3.27Å; L614-F616 VanDerWaalsContact C-N 3.31Å; L614-F616 PolarHBondContact O-N 3.48Å; F616-M618 PolarHBondContact O-N 2.87Å; F616-D619 WeakPolarHBondContact O-CB 3.35Å; F616-D619 PolarHBondContact O-N 3.05Å
617	L	93.1	Very high	92.3	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	14%	0.141	C	C	.	.	H	α-helix	trans	-69.1	-19	179.3	-68.9	177.7	0	0	0	112.9	L536 L583 Y587 V590 L591 L594 L613 L614 V623	L536-L617 HydrophobicContact CD1-CD1 4.42Å; L536-L617 HydrophobicContact CD2-CD1 4.29Å; L536-L617 HydrophobicContact CD2-CD2 4.35Å; L583-L617 HydrophobicContact CD1-CD2 4.28Å; L583-L617 HydrophobicContact CD2-CD2 4.17Å; Y587-L617 HydrophobicContact CE2-CB 4.22Å; Y587-L617 HydrophobicContact CE2-CD2 4.44Å; Y587-L617 PolarHBondContact OH-O 3.48Å; V590-L617 HydrophobicContact CG1-CD1 3.7Å; L591-L617 HydrophobicContact CD2-CB 3.54Å; L591-L617 HydrophobicContact CD2-CD1 4.21Å; L594-L617 HydrophobicContact CD1-CD1 3.74Å; L613-L617 PolarHBondContact O-N 2.95Å; L614-L617 PolarHBondContact O-N 3.46Å; L617-V623 VanDerWaalsContact O-CG2 3.26Å; L617-V623 WeakPolarHBondContact O-CG2 3.47Å
618	M	91.4	Very high	92.7	Very high	37 Å²	37	25 Å²	25	18%	0.182	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-3.2	171.8	-68.6	-176	77.9	0	0	113.7	L591 L614 Q615 F616 V689 A690 L691 K692	L591-M618 HydrophobicContact CD2-CG 4.25Å; L614-M618 HydrophobicContact CD1-CG 4.42Å; L614-M618 HydrophobicContact CD1-SD 4.27Å; L614-M618 HydrophobicContact CG-SD 4.1Å; L614-M618 WeakPolarHBondContact O-CB 3.34Å; L614-M618 WeakPolarHBondContact O-CG 3.36Å; L614-M618 PolarHBondContact O-N 3.15Å; Q615-M618 CarbonylContact O-C 3.3Å; Q615-M618 PolarHBondContact O-N 3.47Å; F616-M618 PolarHBondContact O-N 2.87Å; M618-V689 HydrophobicContact CE-CG1 4.15Å; M618-V689 HydrophobicContact CG-CG1 4.36Å; M618-A690 WeakPolarHBondContact CE-O 3.49Å; M618-L691 CarbonylContact O-C 3.52Å; M618-L691 WeakPolarHBondContact O-CA 2.77Å; M618-K692 PolarHBondContact O-N 3.16Å
619	D	91.6	Very high	93	Very high	25 Å²	25	22.7 Å²	22.7	13%	0.134	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-81.7	122.3	179.5	178.4	70.5	0	0	0	111	Q615 F616 Q621 S622 V623 N693	Q615-D619 PolarHBondContact O-N 3.29Å; Q615-D619 VanDerWaalsContact O-N 3.12Å; F616-D619 WeakPolarHBondContact O-CB 3.35Å; F616-D619 PolarHBondContact O-N 3.05Å; D619-Q621 VanDerWaalsContact C-N 3.31Å; D619-Q621 PolarHBondContact O-N 3.48Å; D619-Q621 WeakPolarHBondContact OD2-CB 3.48Å; D619-Q621 PolarHBondContact OD2-N 3.38Å; D619-S622 PolarHBondContact O-N 3.06Å; D619-S622 PolarHBondContact OD2-N 3.35Å; D619-S622 PolarHBondContact OD2-OG 3.23Å; D619-V623 PolarHBondContact O-N 3.33Å; D619-V623 VanDerWaalsContact O-N 3.17Å; D619-N693 PolarHBondContact OD1-ND2 3.45Å
620	Y	90.6	Very high	93.3	Very high	9 Å²	9	20.9 Å²	20.9	4%	0.035	11%	0.108	C	C	.	.	H	α-helix	trans	-59.7	-41.1	-175.8	-178.6	-91.7	0	0	0	112.6	S622 K624 F678 F682 L691 K692 L694 A697 E698	Y620-S622 VanDerWaalsContact C-N 3.35Å; Y620-S622 PolarHBondContact O-N 2.97Å; Y620-K624 HydrophobicContact CD1-CD 4.46Å; Y620-K624 HydrophobicContact CE1-CB 4.4Å; Y620-K624 HydrophobicContact CE1-CD 3.53Å; Y620-K624 VanDerWaalsContact O-CB 3.27Å; Y620-K624 WeakPolarHBondContact O-CB 3.49Å; Y620-K624 PolarHBondContact O-N 2.9Å; Y620-K624 PolarHBondContact OH-NZ 2.9Å; Y620-F678 HydrophobicContact CD2-CZ 4.01Å; Y620-F678 AromaticContact CE2-CE1 3.71Å; Y620-F678 HydrophobicContact CE2-CE1 3.71Å; Y620-F678 AromaticContact CE2-CZ 3.59Å; Y620-F678 HydrophobicContact CE2-CZ 3.59Å; Y620-F678 AromaticContact CZ-CE1 3.83Å; Y620-F682 HydrophobicContact CD2-CD2 4.3Å; Y620-F682 HydrophobicContact CD2-CE1 4.36Å; Y620-F682 AromaticContact CD2-CE2 3.67Å; Y620-F682 HydrophobicContact CD2-CE2 3.67Å; Y620-F682 AromaticContact CD2-CZ 3.7Å; Y620-F682 HydrophobicContact CD2-CZ 3.7Å; Y620-F682 AromaticContact CE2-CD1 3.94Å; Y620-F682 HydrophobicContact CE2-CD1 3.94Å; Y620-F682 AromaticContact CE2-CD2 3.83Å; Y620-F682 HydrophobicContact CE2-CD2 3.83Å; Y620-F682 AromaticContact CE2-CE1 3.61Å; Y620-F682 HydrophobicContact CE2-CE1 3.61Å; Y620-F682 AromaticContact CE2-CE2 3.52Å; Y620-F682 HydrophobicContact CE2-CE2 3.52Å; Y620-F682 HydrophobicContact CE2-CG 4.05Å; Y620-F682 AromaticContact CE2-CZ 3.4Å; Y620-F682 HydrophobicContact CE2-CZ 3.4Å; Y620-L691 HydrophobicContact CD2-CB 4.24Å; Y620-L691 HydrophobicContact CD2-CD1 3.83Å; Y620-K692 WeakPolarHBondContact CB-O 3.24Å; Y620-K692 PolarHBondContact N-O 3.16Å; Y620-K692 VanDerWaalsContact N-O 3.07Å; Y620-L694 HydrophobicContact CD1-CD1 3.83Å; Y620-L694 HydrophobicContact CD2-CD1 3.45Å; Y620-L694 VanDerWaalsContact CD2-CD1 3.45Å; Y620-L694 HydrophobicContact CE1-CD1 3.7Å; Y620-L694 HydrophobicContact CE2-CD1 3.33Å; Y620-L694 HydrophobicContact CG-CD1 3.7Å; Y620-L694 VanDerWaalsContact CZ-CD1 3.44Å; Y620-A697 HydrophobicContact CD1-CB 3.69Å; Y620-E698 VanDerWaalsContact CE1-OE2 3.22Å; Y620-E698 WeakPolarHBondContact CE1-OE2 3.49Å; Y620-E698 PolarHBondContact OH-OE2 3.38Å
621	Q	91.1	Very high	93.5	Very high	44 Å²	44	21.2 Å²	21.2	21%	0.206	11%	0.11	C	C	.	.	H	α-helix	trans	-63.6	-44	-179	-167.6	-174	-73.3	0	0	110.8	D619 L625 A697	D619-Q621 VanDerWaalsContact C-N 3.31Å; D619-Q621 PolarHBondContact O-N 3.48Å; D619-Q621 WeakPolarHBondContact OD2-CB 3.48Å; D619-Q621 PolarHBondContact OD2-N 3.38Å; Q621-L625 WeakPolarHBondContact O-CB 3.28Å; Q621-L625 PolarHBondContact O-N 3.46Å; Q621-A697 HydrophobicContact CB-CB 3.76Å; Q621-A697 HydrophobicContact CG-CB 4.37Å
622	S	91.9	Very high	93.7	Very high	16 Å²	16	17.9 Å²	17.9	11%	0.112	9%	0.093	C	C	.	.	H	α-helix	trans	-63.6	-48.7	-178.2	-59.8	0	0	0	0	111.9	D619 Y620 L625 I626	D619-S622 PolarHBondContact O-N 3.06Å; D619-S622 PolarHBondContact OD2-N 3.35Å; D619-S622 PolarHBondContact OD2-OG 3.23Å; Y620-S622 VanDerWaalsContact C-N 3.35Å; Y620-S622 PolarHBondContact O-N 2.97Å; S622-L625 PolarHBondContact O-N 3.06Å; S622-I626 WeakPolarHBondContact O-CG1 3.44Å; S622-I626 PolarHBondContact O-N 3.28Å; S622-I626 VanDerWaalsContact O-N 3.12Å
623	V	92.3	Very high	93.8	Very high	6 Å²	6	14.8 Å²	14.8	4%	0.036	7%	0.073	C	C	.	.	H	α-helix	trans	-64.9	-50	179	-177.1	0	0	0	0	110.7	Y587 L617 D619 L625 I626 Y627 F678 F686	Y587-V623 HydrophobicContact CE2-CG2 4.29Å; L617-V623 VanDerWaalsContact O-CG2 3.26Å; L617-V623 WeakPolarHBondContact O-CG2 3.47Å; D619-V623 PolarHBondContact O-N 3.33Å; D619-V623 VanDerWaalsContact O-N 3.17Å; V623-L625 PolarHBondContact O-N 3.13Å; V623-I626 WeakPolarHBondContact O-CB 3.33Å; V623-I626 PolarHBondContact O-N 2.89Å; V623-I626 VanDerWaalsContact O-N 3.1Å; V623-Y627 HydrophobicContact CG1-CD2 4.16Å; V623-Y627 HydrophobicContact CG1-CE2 3.92Å; V623-Y627 WeakPolarHBondContact O-CD2 3.48Å; V623-Y627 PolarHBondContact O-N 3.48Å; V623-F678 HydrophobicContact CB-CE2 4.23Å; V623-F678 HydrophobicContact CG1-CD2 4.04Å; V623-F678 HydrophobicContact CG1-CE2 3.59Å; V623-F686 HydrophobicContact CG1-CD1 4.43Å; V623-F686 HydrophobicContact CG1-CE1 4.26Å
624	K	92.8	Very high	93.8	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.009	9%	0.085	C	C	.	.	H	α-helix	trans	-59	-36.5	179	-167.6	173.4	-172	164.4	0	112.1	Y620 Y627 F628 L675 F678 E679 E698 F701	Y620-K624 HydrophobicContact CD1-CD 4.46Å; Y620-K624 HydrophobicContact CE1-CB 4.4Å; Y620-K624 HydrophobicContact CE1-CD 3.53Å; Y620-K624 VanDerWaalsContact O-CB 3.27Å; Y620-K624 WeakPolarHBondContact O-CB 3.49Å; Y620-K624 PolarHBondContact O-N 2.9Å; Y620-K624 PolarHBondContact OH-NZ 2.9Å; K624-Y627 PolarHBondContact O-N 2.93Å; K624-F628 PolarHBondContact O-N 2.91Å; K624-F628 VanDerWaalsContact O-N 3.08Å; K624-L675 HydrophobicContact CD-CD1 4.39Å; K624-L675 HydrophobicContact CG-CD1 3.65Å; K624-F678 HydrophobicContact CB-CD1 4.26Å; K624-F678 HydrophobicContact CB-CE1 3.72Å; K624-F678 HydrophobicContact CB-CZ 3.99Å; K624-F678 HydrophobicContact CD-CD1 4.41Å; K624-F678 HydrophobicContact CD-CE1 3.92Å; K624-F678 HydrophobicContact CG-CD1 3.9Å; K624-F678 HydrophobicContact CG-CE1 3.66Å; K624-F678 HydrophobicContact CG-CZ 4.43Å; K624-E679 WeakPolarHBondContact CE-OE1 3.47Å; K624-E679 IonicContact NZ-OE1 3.96Å; K624-E679 PolarHBondContact NZ-OE1 3.36Å; K624-E698 VanDerWaalsContact NZ-CD 3.31Å; K624-E698 IonicContact NZ-OE1 3.75Å; K624-E698 PolarHBondContact NZ-OE1 2.96Å; K624-E698 IonicContact NZ-OE2 2.77Å; K624-E698 PolarHBondContact NZ-OE2 2.92Å; K624-F701 HydrophobicContact CB-CE2 4.25Å; K624-F701 HydrophobicContact CD-CD1 4.01Å; K624-F701 HydrophobicContact CD-CD2 4.01Å; K624-F701 HydrophobicContact CD-CE1 3.98Å; K624-F701 HydrophobicContact CD-CE2 3.98Å; K624-F701 HydrophobicContact CD-CG 4.03Å; K624-F701 HydrophobicContact CD-CZ 3.96Å; K624-F701 VanDerWaalsContact CE-CE1 3.48Å; K624-F701 HydrophobicContact CG-CD2 4.19Å; K624-F701 HydrophobicContact CG-CE1 4.2Å; K624-F701 HydrophobicContact CG-CE2 3.7Å; K624-F701 HydrophobicContact CG-CZ 3.7Å
625	L	94.2	Very high	93.9	Very high	3 Å²	3	15.5 Å²	15.5	2%	0.016	8%	0.081	C	C	.	.	H	α-helix	trans	-68.6	-35.7	177.7	-174.5	59.2	0	0	0	112.7	C525 L526 L529 Q621 S622 V623 F628 L629 I704 I708	C525-L625 HydrophobicContact CB-CD2 4.28Å; L526-L625 HydrophobicContact CD2-CD1 4.41Å; L526-L625 HydrophobicContact CD2-CD2 4.11Å; L526-L625 HydrophobicContact CD2-CG 4.49Å; L529-L625 HydrophobicContact CD2-CB 4.42Å; L529-L625 HydrophobicContact CD2-CD2 3.92Å; L529-L625 HydrophobicContact CD2-CG 3.93Å; Q621-L625 WeakPolarHBondContact O-CB 3.28Å; Q621-L625 PolarHBondContact O-N 3.46Å; S622-L625 PolarHBondContact O-N 3.06Å; V623-L625 PolarHBondContact O-N 3.13Å; L625-F628 HydrophobicContact CD1-CD1 4.34Å; L625-F628 PolarHBondContact O-N 3.05Å; L625-L629 HydrophobicContact CD1-CD1 4.06Å; L625-L629 HydrophobicContact CD1-CG 4.12Å; L625-L629 HydrophobicContact CG-CD1 3.79Å; L625-L629 HydrophobicContact CG-CG 4.33Å; L625-L629 WeakPolarHBondContact O-CB 3.24Å; L625-L629 WeakPolarHBondContact O-CD1 3.43Å; L625-L629 WeakPolarHBondContact O-CG 3.05Å; L625-L629 PolarHBondContact O-N 2.78Å; L625-I704 HydrophobicContact CD1-CG2 4.27Å; L625-I708 HydrophobicContact CD1-CD1 3.95Å
626	I	95.3	Very high	94	Very high	7 Å²	7	10.9 Å²	10.9	4%	0.036	6%	0.06	C	C	.	.	H	α-helix	trans	-59.5	-49.6	173.8	-69.7	166.3	0	0	0	110.5	L529 L580 L583 I584 S622 V623 F628 L629 L630	L529-I626 HydrophobicContact CD1-CD1 4.04Å; L529-I626 HydrophobicContact CD1-CG1 3.8Å; L529-I626 HydrophobicContact CD2-CG1 4.14Å; L580-I626 HydrophobicContact CB-CG2 4.29Å; L580-I626 HydrophobicContact CD1-CG2 4.34Å; L580-I626 HydrophobicContact CD2-CG2 4.16Å; L583-I626 HydrophobicContact CD2-CD1 4.38Å; I584-I626 HydrophobicContact CD1-CG2 4.24Å; S622-I626 WeakPolarHBondContact O-CG1 3.44Å; S622-I626 PolarHBondContact O-N 3.28Å; S622-I626 VanDerWaalsContact O-N 3.12Å; V623-I626 WeakPolarHBondContact O-CB 3.33Å; V623-I626 PolarHBondContact O-N 2.89Å; V623-I626 VanDerWaalsContact O-N 3.1Å; I626-F628 PolarHBondContact O-N 3.39Å; I626-L629 PolarHBondContact O-N 2.92Å; I626-L630 HydrophobicContact CG2-CD1 4.34Å; I626-L630 PolarHBondContact O-N 3.39Å
627	Y	95.4	Very high	93.9	Very high	6 Å²	6	12.5 Å²	12.5	2%	0.024	7%	0.073	C	C	.	.	H	α-helix	trans	-61.7	-44.4	178.8	-79.6	-93.5	0	0	0	111.8	I584 V623 K624 L629 L630 D631 Y674 F678 F686	I584-Y627 HydrophobicContact CD1-CD1 4.19Å; I584-Y627 HydrophobicContact CD1-CD2 4.38Å; I584-Y627 HydrophobicContact CD1-CE1 3.85Å; I584-Y627 HydrophobicContact CD1-CE2 4.02Å; I584-Y627 HydrophobicContact CD1-CG 4.47Å; I584-Y627 HydrophobicContact CG1-CE1 4.4Å; I584-Y627 HydrophobicContact CG1-CE2 3.99Å; I584-Y627 HydrophobicContact CG2-CE1 4.31Å; I584-Y627 WeakPolarHBondContact CG2-OH 3.18Å; V623-Y627 HydrophobicContact CG1-CD2 4.16Å; V623-Y627 HydrophobicContact CG1-CE2 3.92Å; V623-Y627 WeakPolarHBondContact O-CD2 3.48Å; V623-Y627 PolarHBondContact O-N 3.48Å; K624-Y627 PolarHBondContact O-N 2.93Å; Y627-L629 PolarHBondContact O-N 3.05Å; Y627-L630 WeakPolarHBondContact O-CB 3.35Å; Y627-L630 PolarHBondContact O-N 3.36Å; Y627-D631 PolarHBondContact O-N 2.88Å; Y627-Y674 HydrophobicContact CD1-CD1 4.34Å; Y627-Y674 WeakPolarHBondContact CD1-O 3.31Å; Y627-Y674 VanDerWaalsContact O-CB 3.3Å; Y627-Y674 WeakPolarHBondContact O-CB 3.34Å; Y627-F678 HydrophobicContact CD1-CB 3.94Å; Y627-F678 HydrophobicContact CD2-CB 4.03Å; Y627-F678 AromaticContact CD2-CD2 3.83Å; Y627-F678 HydrophobicContact CD2-CD2 3.83Å; Y627-F678 HydrophobicContact CD2-CG 4.19Å; Y627-F678 HydrophobicContact CE1-CB 4.29Å; Y627-F678 HydrophobicContact CE2-CB 4.41Å; Y627-F678 AromaticContact CE2-CD2 3.89Å; Y627-F678 HydrophobicContact CE2-CD2 3.89Å; Y627-F678 HydrophobicContact CG-CB 3.78Å; Y627-F678 HydrophobicContact CG-CD2 4.45Å; Y627-F678 HydrophobicContact CG-CG 4.38Å; Y627-F686 HydrophobicContact CE2-CZ 4.04Å; Y627-F686 AromaticContact CZ-CZ 3.94Å; Y627-F686 WeakPolarHBondContact OH-CZ 3.43Å
628	F	96	Very high	93.9	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-65.3	-37.3	177.8	176.6	-115.4	0	0	0	113.5	K624 L625 I626 L630 D631 I632 L667 L675 F701 R705 I708	K624-F628 PolarHBondContact O-N 2.91Å; K624-F628 VanDerWaalsContact O-N 3.08Å; L625-F628 HydrophobicContact CD1-CD1 4.34Å; L625-F628 PolarHBondContact O-N 3.05Å; I626-F628 PolarHBondContact O-N 3.39Å; F628-L630 VanDerWaalsContact C-N 3.31Å; F628-D631 WeakPolarHBondContact O-CB 3.35Å; F628-D631 PolarHBondContact O-N 2.88Å; F628-I632 HydrophobicContact CE1-CG1 4.4Å; F628-I632 HydrophobicContact CE2-CD1 4.48Å; F628-I632 HydrophobicContact CE2-CG1 4.35Å; F628-I632 HydrophobicContact CZ-CD1 4.17Å; F628-I632 HydrophobicContact CZ-CG1 4.09Å; F628-I632 PolarHBondContact O-N 2.89Å; F628-L667 HydrophobicContact CE2-CB 4.34Å; F628-L675 HydrophobicContact CB-CD1 4.47Å; F628-L675 HydrophobicContact CB-CD2 4.35Å; F628-L675 HydrophobicContact CD2-CD2 3.95Å; F628-L675 HydrophobicContact CG-CD2 4.5Å; F628-F701 HydrophobicContact CB-CE2 4.47Å; F628-F701 HydrophobicContact CB-CZ 3.92Å; F628-F701 HydrophobicContact CD1-CZ 4.47Å; F628-F701 HydrophobicContact CG-CZ 4.12Å; F628-R705 HydrophobicContact CD2-CG 4.3Å; F628-R705 HydrophobicContact CE1-CB 4.34Å; F628-R705 HydrophobicContact CE1-CG 4.03Å; F628-R705 HydrophobicContact CE2-CG 3.65Å; F628-R705 HydrophobicContact CZ-CB 4.27Å; F628-R705 HydrophobicContact CZ-CG 3.51Å; F628-I708 HydrophobicContact CD1-CD1 4.29Å; F628-I708 HydrophobicContact CE1-CB 3.98Å; F628-I708 HydrophobicContact CE1-CD1 3.94Å; F628-I708 HydrophobicContact CE1-CG2 3.89Å; F628-I708 HydrophobicContact CZ-CG2 4.41Å
629	L	95.7	Very high	94	Very high	4 Å²	4	16.4 Å²	16.4	2%	0.021	9%	0.085	C	C	.	.	H	α-helix	trans	-67.9	-33.6	175.9	-72.5	165.2	0	0	0	111.7	L515 L526 L529 I574 L625 I626 Y627 D631 I632 I633 I708	L515-L629 HydrophobicContact CD2-CD2 4.5Å; L526-L629 HydrophobicContact CD2-CD1 3.71Å; L526-L629 HydrophobicContact CD2-CD2 4.01Å; L526-L629 HydrophobicContact CD2-CG 4.42Å; L529-L629 HydrophobicContact CD2-CD1 3.64Å; I574-L629 HydrophobicContact CD1-CD1 4.47Å; I574-L629 HydrophobicContact CG2-CB 4.36Å; I574-L629 HydrophobicContact CG2-CD1 3.7Å; I574-L629 HydrophobicContact CG2-CG 4.43Å; L625-L629 HydrophobicContact CD1-CD1 4.06Å; L625-L629 HydrophobicContact CD1-CG 4.12Å; L625-L629 HydrophobicContact CG-CD1 3.79Å; L625-L629 HydrophobicContact CG-CG 4.33Å; L625-L629 WeakPolarHBondContact O-CB 3.24Å; L625-L629 WeakPolarHBondContact O-CD1 3.43Å; L625-L629 WeakPolarHBondContact O-CG 3.05Å; L625-L629 PolarHBondContact O-N 2.78Å; I626-L629 PolarHBondContact O-N 2.92Å; Y627-L629 PolarHBondContact O-N 3.05Å; L629-D631 VanDerWaalsContact C-N 3.33Å; L629-D631 PolarHBondContact O-N 3.37Å; L629-I632 PolarHBondContact O-N 2.9Å; L629-I633 WeakPolarHBondContact O-CB 3.27Å; L629-I633 WeakPolarHBondContact O-CD1 3.36Å; L629-I633 WeakPolarHBondContact O-CG1 3.27Å; L629-I633 PolarHBondContact O-N 2.68Å; L629-I708 HydrophobicContact CD2-CD1 4.39Å
630	L	96.1	Very high	94	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.016	8%	0.081	C	C	.	.	H	α-helix	trans	-61.8	-38.9	172.5	-79.4	169.1	0	0	0	112.3	P577 L580 I584 I626 Y627 F628 I633 A634 Y674	P577-L630 HydrophobicContact CB-CD2 4.08Å; L580-L630 HydrophobicContact CB-CD1 4.11Å; L580-L630 HydrophobicContact CB-CD2 3.97Å; L580-L630 HydrophobicContact CB-CG 4.23Å; L580-L630 HydrophobicContact CD1-CD2 4Å; L580-L630 HydrophobicContact CD1-CG 4.05Å; I584-L630 HydrophobicContact CD1-CD1 3.38Å; I626-L630 HydrophobicContact CG2-CD1 4.34Å; I626-L630 PolarHBondContact O-N 3.39Å; Y627-L630 WeakPolarHBondContact O-CB 3.35Å; Y627-L630 PolarHBondContact O-N 3.36Å; F628-L630 VanDerWaalsContact C-N 3.31Å; L630-I633 PolarHBondContact O-N 3.33Å; L630-A634 VanDerWaalsContact O-CB 3.32Å; L630-A634 WeakPolarHBondContact O-CB 3.42Å; L630-A634 PolarHBondContact O-N 3.26Å; L630-Y674 HydrophobicContact CB-CD1 4.09Å; L630-Y674 HydrophobicContact CB-CD2 3.7Å; L630-Y674 HydrophobicContact CB-CE1 4.37Å; L630-Y674 HydrophobicContact CB-CE2 4.01Å; L630-Y674 HydrophobicContact CB-CG 3.72Å; L630-Y674 HydrophobicContact CD1-CD1 3.88Å; L630-Y674 HydrophobicContact CD1-CE1 3.95Å; L630-Y674 HydrophobicContact CD1-CG 4.36Å
631	D	96.6	Very high	94	Very high	8 Å²	8	18 Å²	18	4%	0.043	10%	0.095	C	C	.	.	H	α-helix	trans	-59.6	-47.6	173.4	-72.3	-36.2	0	0	0	111.5	Y627 F628 L629 I633 A634 V635 L667 G672 E673 Y674 L675	Y627-D631 PolarHBondContact O-N 2.88Å; F628-D631 WeakPolarHBondContact O-CB 3.35Å; F628-D631 PolarHBondContact O-N 2.88Å; L629-D631 VanDerWaalsContact C-N 3.33Å; L629-D631 PolarHBondContact O-N 3.37Å; D631-I633 PolarHBondContact O-N 2.84Å; D631-A634 WeakPolarHBondContact O-CB 3.18Å; D631-A634 PolarHBondContact O-N 2.87Å; D631-V635 WeakPolarHBondContact O-CG2 3.42Å; D631-V635 PolarHBondContact O-N 2.86Å; D631-L667 HydrophobicContact CB-CD1 4.16Å; D631-L667 HydrophobicContact CB-CD2 4.3Å; D631-G672 VanDerWaalsContact CG-CA 3.41Å; D631-G672 VanDerWaalsContact OD1-C 3.25Å; D631-G672 WeakPolarHBondContact OD1-CA 3.37Å; D631-G672 VanDerWaalsContact OD2-CA 3.32Å; D631-G672 WeakPolarHBondContact OD2-CA 3.45Å; D631-G672 PolarHBondContact OD2-N 2.88Å; D631-E673 PolarHBondContact OD1-N 3.33Å; D631-E673 VanDerWaalsContact OD1-N 3.17Å; D631-Y674 WeakPolarHBondContact OD1-CB 3.46Å; D631-Y674 WeakPolarHBondContact OD1-CD2 3.35Å; D631-Y674 PolarHBondContact OD1-N 3.1Å; D631-L675 WeakPolarHBondContact OD2-CB 3.49Å; D631-L675 PolarHBondContact OD2-N 3.47Å
632	I	95.8	Very high	94.1	Very high	7 Å²	7	18.5 Å²	18.5	4%	0.036	10%	0.101	C	C	.	.	H	α-helix	trans	-62.6	-45.2	178	-63	-73.8	0	0	0	111.2	F628 L629 A634 V635 L636 I664 L667 I708	F628-I632 HydrophobicContact CE1-CG1 4.4Å; F628-I632 HydrophobicContact CE2-CD1 4.48Å; F628-I632 HydrophobicContact CE2-CG1 4.35Å; F628-I632 HydrophobicContact CZ-CD1 4.17Å; F628-I632 HydrophobicContact CZ-CG1 4.09Å; F628-I632 PolarHBondContact O-N 2.89Å; L629-I632 PolarHBondContact O-N 2.9Å; I632-A634 VanDerWaalsContact C-N 3.27Å; I632-A634 PolarHBondContact O-N 3.2Å; I632-V635 PolarHBondContact O-N 3.34Å; I632-L636 HydrophobicContact CG2-CD1 3.89Å; I632-L636 WeakPolarHBondContact O-CG 3.49Å; I632-L636 PolarHBondContact O-N 3.03Å; I632-L636 VanDerWaalsContact O-N 3.13Å; I632-I664 HydrophobicContact CD1-CG1 4.42Å; I632-I664 HydrophobicContact CD1-CG2 3.95Å; I632-L667 HydrophobicContact CD1-CD1 3.66Å; I632-L667 HydrophobicContact CG1-CD1 4.33Å; I632-I708 HydrophobicContact CG1-CG2 4.36Å
633	I	95.1	Very high	94.1	Very high	6 Å²	6	17.7 Å²	17.7	3%	0.031	10%	0.096	C	C	.	.	H	α-helix	trans	-62.5	-37.1	178.2	-69.2	164.2	0	0	0	110.5	H511 I574 P577 L629 L630 D631 L636 S637	H511-I633 HydrophobicContact CB-CG1 3.96Å; I574-I633 WeakPolarHBondContact O-CD1 3.44Å; P577-I633 HydrophobicContact CB-CG2 4.22Å; P577-I633 HydrophobicContact CG-CG2 4.29Å; L629-I633 WeakPolarHBondContact O-CB 3.27Å; L629-I633 WeakPolarHBondContact O-CD1 3.36Å; L629-I633 WeakPolarHBondContact O-CG1 3.27Å; L629-I633 PolarHBondContact O-N 2.68Å; L630-I633 PolarHBondContact O-N 3.33Å; D631-I633 PolarHBondContact O-N 2.84Å; I633-L636 PolarHBondContact O-N 3.24Å; I633-S637 WeakPolarHBondContact O-CB 3.4Å; I633-S637 PolarHBondContact O-N 3.37Å; I633-S637 PolarHBondContact O-OG 3.42Å
634	A	94.8	Very high	94	Very high	29 Å²	29	19.3 Å²	19.3	24%	0.24	10%	0.103	C	C	.	.	H	α-helix	trans	-62.6	-46.3	177.8	0	0	0	0	0	111.6	L630 D631 I632 S637 R638	L630-A634 VanDerWaalsContact O-CB 3.32Å; L630-A634 WeakPolarHBondContact O-CB 3.42Å; L630-A634 PolarHBondContact O-N 3.26Å; D631-A634 WeakPolarHBondContact O-CB 3.18Å; D631-A634 PolarHBondContact O-N 2.87Å; I632-A634 VanDerWaalsContact C-N 3.27Å; I632-A634 PolarHBondContact O-N 3.2Å; A634-S637 PolarHBondContact O-N 3.39Å; A634-R638 WeakPolarHBondContact O-CG 2.86Å; A634-R638 PolarHBondContact O-N 3.07Å
635	V	95.9	Very high	93.7	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.024	12%	0.117	C	C	.	.	H	α-helix	trans	-59.1	-50.6	176.2	-177	0	0	0	0	111	D631 I632 S637 R638 L639 A660 E663 I664 L667	D631-V635 WeakPolarHBondContact O-CG2 3.42Å; D631-V635 PolarHBondContact O-N 2.86Å; I632-V635 PolarHBondContact O-N 3.34Å; V635-S637 VanDerWaalsContact C-N 3.34Å; V635-S637 PolarHBondContact O-N 3.3Å; V635-R638 PolarHBondContact O-N 3.47Å; V635-L639 PolarHBondContact O-N 3.03Å; V635-A660 HydrophobicContact CG1-CB 4.11Å; V635-E663 HydrophobicContact CG1-CB 4.24Å; V635-E663 HydrophobicContact CG1-CG 4.36Å; V635-E663 HydrophobicContact CG2-CG 3.99Å; V635-I664 HydrophobicContact CB-CG1 4.23Å; V635-I664 HydrophobicContact CG1-CD1 4.32Å; V635-I664 HydrophobicContact CG1-CG1 3.93Å; V635-L667 HydrophobicContact CG2-CD1 4.08Å
636	L	94.1	Very high	92.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.8	-36.5	-178.1	-69.4	174.1	0	0	0	112.6	P510 H511 V514 I632 I633 L639 A640 I664 L716	P510-L636 HydrophobicContact CG-CB 4.09Å; P510-L636 VanDerWaalsContact CG-O 3.29Å; P510-L636 WeakPolarHBondContact CG-O 3.37Å; H511-L636 HydrophobicContact CB-CB 4.29Å; H511-L636 HydrophobicContact CB-CD1 3.71Å; V514-L636 HydrophobicContact CB-CD1 4.27Å; V514-L636 HydrophobicContact CG2-CD1 3.89Å; I632-L636 HydrophobicContact CG2-CD1 3.89Å; I632-L636 WeakPolarHBondContact O-CG 3.49Å; I632-L636 PolarHBondContact O-N 3.03Å; I632-L636 VanDerWaalsContact O-N 3.13Å; I633-L636 PolarHBondContact O-N 3.24Å; L636-L639 PolarHBondContact O-N 3.41Å; L636-A640 PolarHBondContact O-N 2.86Å; L636-I664 HydrophobicContact CD2-CD1 3.99Å; L636-I664 HydrophobicContact CG-CD1 4.3Å; L636-L716 HydrophobicContact CD2-CD1 3.84Å; L636-L716 HydrophobicContact CD2-CD2 3.91Å; L636-L716 HydrophobicContact CD2-CG 4.22Å
637	S	92.7	Very high	92.1	Very high	45 Å²	45	34 Å²	34	32%	0.315	18%	0.179	S	C	.	.	H	α-helix	trans	-69.2	-39.2	177.4	-62	0	0	0	0	112.1	I633 A634 V635 L639 A640 L641	I633-S637 WeakPolarHBondContact O-CB 3.4Å; I633-S637 PolarHBondContact O-N 3.37Å; I633-S637 PolarHBondContact O-OG 3.42Å; A634-S637 PolarHBondContact O-N 3.39Å; V635-S637 VanDerWaalsContact C-N 3.34Å; V635-S637 PolarHBondContact O-N 3.3Å; S637-L639 VanDerWaalsContact C-N 3.33Å; S637-A640 PolarHBondContact O-N 3.28Å; S637-L641 WeakPolarHBondContact O-CB 3.3Å; S637-L641 PolarHBondContact O-N 2.85Å
638	R	92.9	Very high	91.6	Very high	113 Å²	113	34.2 Å²	34.2	43%	0.426	18%	0.18	S	C	.	.	H	α-helix	trans	-65.6	-38.3	173.9	-71.7	-168.5	-49.3	-94.7	-3.1	111.9	A634 V635 L641 T642 E663	A634-R638 WeakPolarHBondContact O-CG 2.86Å; A634-R638 PolarHBondContact O-N 3.07Å; V635-R638 PolarHBondContact O-N 3.47Å; R638-L641 PolarHBondContact O-N 3.39Å; R638-T642 PolarHBondContact O-N 2.82Å; R638-T642 VanDerWaalsContact O-N 3.09Å; R638-T642 PolarHBondContact O-OG1 2.9Å; R638-E663 IonicContact CZ-OE1 2.82Å; R638-E663 IonicContact CZ-OE2 3.87Å; R638-E663 IonicContact NH2-OE1 3.29Å; R638-E663 PolarHBondContact NH2-OE1 3.49Å; R638-E663 IonicContact NH2-OE2 3.87Å; R638-E663 PolarHBondContact NH2-OE2 2.97Å
639	L	93.6	Very high	91	Very high	7 Å²	7	37.5 Å²	37.5	4%	0.037	20%	0.198	C	C	.	.	H	α-helix	trans	-60.5	-51.8	174.4	-175.8	64.7	0	0	0	110.4	L506 V635 L636 S637 L641 T642 F643 R656 L657 A660 L716	L506-L639 HydrophobicContact CD1-CB 4.45Å; L506-L639 HydrophobicContact CD1-CD2 3.41Å; L506-L639 VanDerWaalsContact CD1-CD2 3.41Å; L506-L639 HydrophobicContact CD1-CG 3.49Å; L506-L639 VanDerWaalsContact CD1-CG 3.49Å; V635-L639 PolarHBondContact O-N 3.03Å; L636-L639 PolarHBondContact O-N 3.41Å; S637-L639 VanDerWaalsContact C-N 3.33Å; L639-L641 VanDerWaalsContact C-N 3.31Å; L639-L641 PolarHBondContact O-N 2.72Å; L639-T642 VanDerWaalsContact O-CB 3.29Å; L639-T642 WeakPolarHBondContact O-CB 3.37Å; L639-T642 PolarHBondContact O-N 3.41Å; L639-F643 HydrophobicContact CD1-CD2 4.34Å; L639-F643 HydrophobicContact CD1-CE2 3.81Å; L639-F643 HydrophobicContact CG-CD2 4.42Å; L639-F643 HydrophobicContact CG-CE2 4.15Å; L639-F643 WeakPolarHBondContact O-CD2 3.49Å; L639-F643 PolarHBondContact O-N 2.99Å; L639-R656 HydrophobicContact CD1-CB 4.21Å; L639-R656 WeakPolarHBondContact CD1-O 3.35Å; L639-L657 HydrophobicContact CD2-CD1 3.95Å; L639-A660 HydrophobicContact CB-CB 4.35Å; L639-A660 HydrophobicContact CD1-CB 4.08Å; L639-A660 HydrophobicContact CD2-CB 3.83Å; L639-A660 HydrophobicContact CG-CB 4.3Å; L639-L716 HydrophobicContact CD2-CD2 4.34Å
640	A	91.3	Very high	90.6	Very high	5 Å²	5	37.7 Å²	37.7	4%	0.041	20%	0.199	C	C	.	.	H	α-helix	trans	-55.5	-43.9	176	0	0	0	0	0	112.7	L506 P510 L636 S637 T642 F643 Q644	L506-A640 HydrophobicContact CB-CB 4.47Å; P510-A640 HydrophobicContact CG-CB 3.92Å; L636-A640 PolarHBondContact O-N 2.86Å; S637-A640 PolarHBondContact O-N 3.28Å; A640-T642 PolarHBondContact O-N 3.15Å; A640-F643 PolarHBondContact O-N 3.34Å; A640-F643 VanDerWaalsContact O-N 3.1Å; A640-Q644 VanDerWaalsContact O-CG 3.29Å; A640-Q644 WeakPolarHBondContact O-CG 3.41Å; A640-Q644 PolarHBondContact O-N 2.79Å
641	L	91.3	Very high	90.1	Very high	63 Å²	63	38 Å²	38	33%	0.33	20%	0.201	S	C	.	.	H	α-helix	trans	-60.9	-29.3	177.7	-173.6	66	0	0	0	112.9	S637 R638 L639	S637-L641 WeakPolarHBondContact O-CB 3.3Å; S637-L641 PolarHBondContact O-N 2.85Å; R638-L641 PolarHBondContact O-N 3.39Å; L639-L641 VanDerWaalsContact C-N 3.31Å; L639-L641 PolarHBondContact O-N 2.72Å
642	T	91.8	Very high	89.7	Confident	54 Å²	54	40.4 Å²	40.4	33%	0.331	21%	0.212	S	C	.	.	H	α-helix	trans	-69.5	-41.4	176	-55.6	0	0	0	0	111.1	R638 L639 A640 G645 L648 R656	R638-T642 PolarHBondContact O-N 2.82Å; R638-T642 VanDerWaalsContact O-N 3.09Å; R638-T642 PolarHBondContact O-OG1 2.9Å; L639-T642 VanDerWaalsContact O-CB 3.29Å; L639-T642 WeakPolarHBondContact O-CB 3.37Å; L639-T642 PolarHBondContact O-N 3.41Å; A640-T642 PolarHBondContact O-N 3.15Å; T642-G645 PolarHBondContact O-N 2.92Å; T642-L648 HydrophobicContact CG2-CD1 4.38Å; T642-R656 HydrophobicContact CG2-CG 3.98Å
643	F	91.6	Very high	89.4	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-68.9	-34.1	174.9	-78.2	-99.5	0	0	0	112.5	P504 L506 L639 A640 G645 L648 V653 S825 S826 T827	P504-F643 WeakPolarHBondContact O-CE1 3.48Å; L506-F643 HydrophobicContact CB-CB 4.06Å; L506-F643 HydrophobicContact CB-CD1 4.49Å; L506-F643 HydrophobicContact CB-CD2 4.01Å; L506-F643 HydrophobicContact CB-CG 3.93Å; L506-F643 HydrophobicContact CD1-CD2 3.88Å; L506-F643 HydrophobicContact CD1-CE2 3.83Å; L506-F643 HydrophobicContact CD1-CZ 4.48Å; L506-F643 HydrophobicContact CG-CD2 4.28Å; L506-F643 HydrophobicContact CG-CE2 4.43Å; L506-F643 VanDerWaalsContact O-CB 3.28Å; L506-F643 WeakPolarHBondContact O-CB 3.34Å; L639-F643 HydrophobicContact CD1-CD2 4.34Å; L639-F643 HydrophobicContact CD1-CE2 3.81Å; L639-F643 HydrophobicContact CG-CD2 4.42Å; L639-F643 HydrophobicContact CG-CE2 4.15Å; L639-F643 WeakPolarHBondContact O-CD2 3.49Å; L639-F643 PolarHBondContact O-N 2.99Å; A640-F643 PolarHBondContact O-N 3.34Å; A640-F643 VanDerWaalsContact O-N 3.1Å; F643-G645 PolarHBondContact O-N 3.24Å; F643-G645 VanDerWaalsContact O-N 3.17Å; F643-L648 HydrophobicContact CB-CD2 4.41Å; F643-L648 HydrophobicContact CD1-CD2 3.7Å; F643-L648 HydrophobicContact CD2-CD2 4.28Å; F643-L648 HydrophobicContact CE1-CD2 3.94Å; F643-L648 HydrophobicContact CE2-CD2 4.49Å; F643-L648 HydrophobicContact CG-CD2 3.88Å; F643-L648 HydrophobicContact CZ-CD2 4.34Å; F643-V653 HydrophobicContact CE1-CG1 4.03Å; F643-V653 HydrophobicContact CE1-CG2 4.38Å; F643-V653 HydrophobicContact CZ-CG1 4.01Å; F643-S825 WeakPolarHBondContact CD1-O 3.43Å; F643-S826 CarbonylContact O-C 3.23Å; F643-S826 WeakPolarHBondContact O-CA 3.27Å; F643-T827 VanDerWaalsContact C-OG1 3.23Å; F643-T827 PolarHBondContact O-N 3.38Å; F643-T827 PolarHBondContact O-OG1 3.37Å
644	Q	90.5	Very high	89.1	Confident	40 Å²	40	40 Å²	40	19%	0.187	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-7.2	176.4	-68.8	170.1	-10.2	0	0	114	I507 A640 T827 A828 D831	I507-Q644 PolarHBondContact O-NE2 3.04Å; A640-Q644 VanDerWaalsContact O-CG 3.29Å; A640-Q644 WeakPolarHBondContact O-CG 3.41Å; A640-Q644 PolarHBondContact O-N 2.79Å; Q644-T827 WeakPolarHBondContact CA-OG1 3.33Å; Q644-T827 PolarHBondContact N-OG1 3.18Å; Q644-A828 WeakPolarHBondContact O-CA 3.43Å; Q644-A828 WeakPolarHBondContact O-CB 3.44Å; Q644-D831 HydrophobicContact CG-CB 4.4Å
645	G	86.3	Confident	88.8	Confident	29 Å²	29	40.2 Å²	40.2	30%	0.299	21%	0.211	S	C	.	.	S	Bend	trans	-68.1	146.8	176.6	0	0	0	0	0	112.4	T642 F643 H647 S826	T642-G645 PolarHBondContact O-N 2.92Å; F643-G645 PolarHBondContact O-N 3.24Å; F643-G645 VanDerWaalsContact O-N 3.17Å; G645-H647 PolarHBondContact O-N 3.49Å; G645-S826 WeakPolarHBondContact O-CB 3.48Å; G645-S826 PolarHBondContact O-OG 3.43Å
646	E	78.5	Confident	88.6	Confident	135 Å²	135	44.4 Å²	44.4	63%	0.631	23%	0.227	S	C	*	.	S	Bend	trans	-63.7	-22.3	-179.2	-62.4	-169.4	151.1	0	0	113.4	A828 K832	E646-A828 HydrophobicContact CG-CB 4.28Å; E646-K832 IonicContact OE1-NZ 3.28Å
647	H	78.4	Confident	88.5	Confident	156 Å²	156	44.5 Å²	44.5	72%	0.722	23%	0.228	S	C	*	.			trans	-134	93.9	-178.4	-58.2	-40.1	0	0	0	110.1	G645	G645-H647 PolarHBondContact O-N 3.49Å
648	L	84.6	Confident	88.5	Confident	10 Å²	10	46.3 Å²	46.3	5%	0.052	23%	0.231	C	C	.	.			trans	-116.7	118.7	165.3	-179.8	59.8	0	0	0	108.1	T642 F643 Q652 V653 S825	T642-L648 HydrophobicContact CG2-CD1 4.38Å; F643-L648 HydrophobicContact CB-CD2 4.41Å; F643-L648 HydrophobicContact CD1-CD2 3.7Å; F643-L648 HydrophobicContact CD2-CD2 4.28Å; F643-L648 HydrophobicContact CE1-CD2 3.94Å; F643-L648 HydrophobicContact CE2-CD2 4.49Å; F643-L648 HydrophobicContact CG-CD2 3.88Å; F643-L648 HydrophobicContact CZ-CD2 4.34Å; L648-Q652 HydrophobicContact CD1-CB 3.93Å; L648-V653 HydrophobicContact CD2-CG2 4.17Å; L648-V653 HydrophobicContact CG-CG2 4.31Å; L648-S825 WeakPolarHBondContact CD2-O 3.15Å; L648-S825 VanDerWaalsContact O-CB 3.27Å; L648-S825 WeakPolarHBondContact O-CB 3.09Å; L648-S825 PolarHBondContact O-OG 3.26Å
649	L	84	Confident	88.6	Confident	70 Å²	70	45.6 Å²	45.6	37%	0.366	23%	0.232	S	C	.	.			trans	-76.4	146.2	177.4	-63	176.9	0	0	0	110.1	S651 Q652 F796	L649-S651 PolarHBondContact O-N 3.13Å; L649-Q652 HydrophobicContact CB-CG 4.21Å; L649-Q652 PolarHBondContact O-N 3.07Å; L649-F796 HydrophobicContact CD1-CE1 4.35Å; L649-F796 HydrophobicContact CD2-CE1 4.43Å
650	V	87.4	Confident	88.7	Confident	7 Å²	7	45.6 Å²	45.6	4%	0.042	23%	0.233	C	C	.	.	H	α-helix	trans	-55.6	-42.7	175.2	179.3	0	0	0	0	110.5	L503 Q652 V653 T728 V820 L823	L503-V650 HydrophobicContact CD1-CG1 4.44Å; V650-Q652 PolarHBondContact O-N 3.04Å; V650-V653 WeakPolarHBondContact O-CB 3.46Å; V650-V653 PolarHBondContact O-N 3.37Å; V650-T728 HydrophobicContact CG1-CG2 4.23Å; V650-T728 WeakPolarHBondContact O-CG2 3.42Å; V650-V820 HydrophobicContact CB-CG1 4.42Å; V650-V820 HydrophobicContact CG2-CG1 4.43Å; V650-V820 WeakPolarHBondContact CG2-O 3.28Å; V650-L823 HydrophobicContact CG1-CD1 4.19Å; V650-L823 HydrophobicContact CG2-CB 3.74Å; V650-L823 HydrophobicContact CG2-CD1 4.3Å
651	S	84.6	Confident	88.9	Confident	11 Å²	11	46.5 Å²	46.5	8%	0.077	24%	0.237	C	C	.	.	H	α-helix	trans	-53.7	-27.2	177.2	55.3	0	0	0	0	114.7	L649 C731	L649-S651 PolarHBondContact O-N 3.13Å; S651-C731 WeakPolarHBondContact CB-O 3.18Å
652	Q	87.8	Confident	89.1	Confident	58 Å²	58	49.3 Å²	49.3	27%	0.271	25%	0.248	S	C	.	.	H	α-helix	trans	-90.9	-16.5	-177.1	-63.9	173.9	-10.4	0	0	112.8	L648 L649 V650 E654 A655 R656	L648-Q652 HydrophobicContact CD1-CB 3.93Å; L649-Q652 HydrophobicContact CB-CG 4.21Å; L649-Q652 PolarHBondContact O-N 3.07Å; V650-Q652 PolarHBondContact O-N 3.04Å; Q652-E654 PolarHBondContact O-N 3.44Å; Q652-A655 PolarHBondContact O-N 3.38Å; Q652-R656 VanDerWaalsContact O-CG 3.28Å; Q652-R656 WeakPolarHBondContact O-CG 3.49Å; Q652-R656 PolarHBondContact O-N 2.88Å
653	V	89.4	Confident	89.4	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.3	-46.9	-173.9	170.7	0	0	0	0	111.8	P504 F643 L648 V650 L657 T728	P504-V653 HydrophobicContact CG-CG1 3.61Å; F643-V653 HydrophobicContact CE1-CG1 4.03Å; F643-V653 HydrophobicContact CE1-CG2 4.38Å; F643-V653 HydrophobicContact CZ-CG1 4.01Å; L648-V653 HydrophobicContact CD2-CG2 4.17Å; L648-V653 HydrophobicContact CG-CG2 4.31Å; V650-V653 WeakPolarHBondContact O-CB 3.46Å; V650-V653 PolarHBondContact O-N 3.37Å; V653-L657 WeakPolarHBondContact O-CB 3.44Å; V653-L657 PolarHBondContact O-N 2.66Å; V653-T728 HydrophobicContact CB-CG2 4.11Å
654	E	89.7	Confident	89.6	Confident	5 Å²	5	50.1 Å²	50.1	2%	0.023	25%	0.248	C	C	.	.	H	α-helix	trans	-64.3	-49.2	178.2	-175.3	-175.1	-153.5	0	0	111	Q652 R656 L657 E658 L720 R725 T728 K729	Q652-E654 PolarHBondContact O-N 3.44Å; E654-R656 VanDerWaalsContact C-N 3.35Å; E654-R656 PolarHBondContact O-N 3.48Å; E654-L657 PolarHBondContact O-N 2.94Å; E654-L657 VanDerWaalsContact O-N 3.12Å; E654-E658 HydrophobicContact CG-CG 4.26Å; E654-E658 WeakPolarHBondContact O-CG 3.32Å; E654-E658 PolarHBondContact O-N 3.31Å; E654-L720 HydrophobicContact CB-CD2 4.35Å; E654-L720 HydrophobicContact CG-CD2 4.13Å; E654-R725 WeakPolarHBondContact OE1-CG 3.31Å; E654-R725 IonicContact OE1-NH1 3.55Å; E654-T728 HydrophobicContact CB-CG2 3.9Å; E654-K729 VanDerWaalsContact OE2-CA 3.3Å; E654-K729 WeakPolarHBondContact OE2-CA 3.25Å; E654-K729 WeakPolarHBondContact OE2-CB 3.42Å; E654-K729 WeakPolarHBondContact OE2-CG 3.49Å
655	A	89.1	Confident	89.9	Confident	32 Å²	32	49 Å²	49	26%	0.264	25%	0.248	S	C	.	.	H	α-helix	trans	-57.8	-45.7	-178.8	0	0	0	0	0	111.9	Q652 L657 E658 E659	Q652-A655 PolarHBondContact O-N 3.38Å; A655-L657 VanDerWaalsContact C-N 3.33Å; A655-L657 PolarHBondContact O-N 2.95Å; A655-E658 PolarHBondContact O-N 3.1Å; A655-E659 WeakPolarHBondContact O-CB 3.31Å; A655-E659 VanDerWaalsContact O-CG 3.25Å; A655-E659 WeakPolarHBondContact O-CG 3.48Å; A655-E659 PolarHBondContact O-N 2.74Å
656	R	91.8	Very high	90.3	Very high	93 Å²	93	52.7 Å²	52.7	35%	0.351	26%	0.258	S	S	.	.	H	α-helix	trans	-63.6	-37.3	177.5	-65.4	-56	-176.3	-168.6	-2.7	112.9	L639 T642 Q652 E654 E659 A660	L639-R656 HydrophobicContact CD1-CB 4.21Å; L639-R656 WeakPolarHBondContact CD1-O 3.35Å; T642-R656 HydrophobicContact CG2-CG 3.98Å; Q652-R656 VanDerWaalsContact O-CG 3.28Å; Q652-R656 WeakPolarHBondContact O-CG 3.49Å; Q652-R656 PolarHBondContact O-N 2.88Å; E654-R656 VanDerWaalsContact C-N 3.35Å; E654-R656 PolarHBondContact O-N 3.48Å; R656-E659 WeakPolarHBondContact CD-OE2 3.39Å; R656-E659 IonicContact CZ-OE2 3.65Å; R656-E659 IonicContact NH1-OE1 2.67Å; R656-E659 IonicContact NH1-OE2 3.87Å; R656-E659 PolarHBondContact NH1-OE2 3.35Å; R656-A660 PolarHBondContact O-N 3.16Å
657	L	92.1	Very high	91.1	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-70.1	-42.7	177.1	-171.4	64.6	0	0	0	111.1	P504 L639 V653 E654 A655 A660 I661 L716 L720	P504-L657 HydrophobicContact CG-CD2 4.33Å; L639-L657 HydrophobicContact CD2-CD1 3.95Å; V653-L657 WeakPolarHBondContact O-CB 3.44Å; V653-L657 PolarHBondContact O-N 2.66Å; E654-L657 PolarHBondContact O-N 2.94Å; E654-L657 VanDerWaalsContact O-N 3.12Å; A655-L657 VanDerWaalsContact C-N 3.33Å; A655-L657 PolarHBondContact O-N 2.95Å; L657-A660 PolarHBondContact O-N 3.06Å; L657-I661 HydrophobicContact CG-CD1 4.05Å; L657-I661 WeakPolarHBondContact O-CD1 3.41Å; L657-I661 VanDerWaalsContact O-CG1 3.26Å; L657-I661 WeakPolarHBondContact O-CG1 3.43Å; L657-I661 PolarHBondContact O-N 3.29Å; L657-L716 HydrophobicContact CD1-CB 4.2Å; L657-L716 HydrophobicContact CD1-CD2 4.25Å; L657-L720 HydrophobicContact CD2-CB 4.06Å
658	E	92.5	Very high	91.8	Very high	83 Å²	83	40.3 Å²	40.3	39%	0.388	20%	0.202	S	C	.	.	H	α-helix	trans	-66.3	-40.6	177.3	-70.7	-168	158.5	0	0	112.3	E654 A655 A660 I661 Q662 R725	E654-E658 HydrophobicContact CG-CG 4.26Å; E654-E658 WeakPolarHBondContact O-CG 3.32Å; E654-E658 PolarHBondContact O-N 3.31Å; A655-E658 PolarHBondContact O-N 3.1Å; E658-A660 VanDerWaalsContact C-N 3.34Å; E658-A660 PolarHBondContact O-N 3.12Å; E658-I661 PolarHBondContact O-N 2.91Å; E658-Q662 WeakPolarHBondContact O-CB 3.32Å; E658-Q662 PolarHBondContact O-N 3.42Å; E658-R725 IonicContact OE1-CZ 3.5Å; E658-R725 IonicContact OE1-NH1 3.77Å; E658-R725 PolarHBondContact OE1-NH1 3.49Å
659	E	94.7	Very high	92.1	Very high	98 Å²	98	45.7 Å²	45.7	46%	0.458	23%	0.231	S	C	.	.	H	α-helix	trans	-53.3	-50.3	171.3	-78.7	171.1	-173.2	0	0	110.9	A655 R656 Q662 E663	A655-E659 WeakPolarHBondContact O-CB 3.31Å; A655-E659 VanDerWaalsContact O-CG 3.25Å; A655-E659 WeakPolarHBondContact O-CG 3.48Å; A655-E659 PolarHBondContact O-N 2.74Å; R656-E659 WeakPolarHBondContact CD-OE2 3.39Å; R656-E659 IonicContact CZ-OE2 3.65Å; R656-E659 IonicContact NH1-OE1 2.67Å; R656-E659 IonicContact NH1-OE2 3.87Å; R656-E659 PolarHBondContact NH1-OE2 3.35Å; E659-Q662 PolarHBondContact O-N 3.13Å; E659-E663 WeakPolarHBondContact O-CB 3.39Å; E659-E663 PolarHBondContact O-N 3.45Å
660	A	95.8	Very high	92.5	Very high	6 Å²	6	46.2 Å²	46.2	5%	0.05	24%	0.239	C	C	.	.	H	α-helix	trans	-66.8	-38.5	179.2	0	0	0	0	0	113	V635 L639 R656 L657 E658 Q662 E663 I664	V635-A660 HydrophobicContact CG1-CB 4.11Å; L639-A660 HydrophobicContact CB-CB 4.35Å; L639-A660 HydrophobicContact CD1-CB 4.08Å; L639-A660 HydrophobicContact CD2-CB 3.83Å; L639-A660 HydrophobicContact CG-CB 4.3Å; R656-A660 PolarHBondContact O-N 3.16Å; L657-A660 PolarHBondContact O-N 3.06Å; E658-A660 VanDerWaalsContact C-N 3.34Å; E658-A660 PolarHBondContact O-N 3.12Å; A660-Q662 VanDerWaalsContact C-N 3.34Å; A660-E663 PolarHBondContact O-N 3.05Å; A660-I664 VanDerWaalsContact O-CG1 3.31Å; A660-I664 WeakPolarHBondContact O-CG1 3.46Å; A660-I664 PolarHBondContact O-N 3.44Å
661	I	95.8	Very high	92.7	Very high	24 Å²	24	47.8 Å²	47.8	12%	0.123	25%	0.249	C	C	.	.	H	α-helix	trans	-62.7	-43.2	174.9	-72.5	163.4	0	0	0	110.5	L657 E658 G665 Q713 L716	L657-I661 HydrophobicContact CG-CD1 4.05Å; L657-I661 WeakPolarHBondContact O-CD1 3.41Å; L657-I661 VanDerWaalsContact O-CG1 3.26Å; L657-I661 WeakPolarHBondContact O-CG1 3.43Å; L657-I661 PolarHBondContact O-N 3.29Å; E658-I661 PolarHBondContact O-N 2.91Å; I661-G665 PolarHBondContact O-N 3.24Å; I661-Q713 HydrophobicContact CG2-CB 4.14Å; I661-Q713 HydrophobicContact CG2-CG 4.02Å; I661-Q713 WeakPolarHBondContact O-CG 3.36Å; I661-Q713 PolarHBondContact O-NE2 2.8Å; I661-L716 HydrophobicContact CD1-CB 4Å; I661-L716 HydrophobicContact CG1-CB 3.66Å; I661-L716 HydrophobicContact CG1-CD1 3.98Å
662	Q	95.8	Very high	93	Very high	122 Å²	122	47.9 Å²	47.9	57%	0.57	25%	0.252	S	S	*	.	H	α-helix	trans	-66.7	-43.8	178.8	-171.5	179.7	6.8	0	0	110.9	E658 E659 A660 G665 Q666	E658-Q662 WeakPolarHBondContact O-CB 3.32Å; E658-Q662 PolarHBondContact O-N 3.42Å; E659-Q662 PolarHBondContact O-N 3.13Å; A660-Q662 VanDerWaalsContact C-N 3.34Å; Q662-G665 CarbonylContact O-C 3.59Å; Q662-G665 WeakPolarHBondContact O-CA 3.37Å; Q662-G665 PolarHBondContact O-N 3.26Å; Q662-Q666 WeakPolarHBondContact O-CG 3.32Å; Q662-Q666 PolarHBondContact O-N 3.36Å
663	E	96.2	Very high	93.3	Very high	71 Å²	71	50.2 Å²	50.2	33%	0.332	26%	0.263	S	S	.	.	H	α-helix	trans	-60.6	-46.3	177.4	-168.8	178.3	172.8	0	0	111.4	V635 R638 E659 A660 G665 Q666 L667	V635-E663 HydrophobicContact CG1-CB 4.24Å; V635-E663 HydrophobicContact CG1-CG 4.36Å; V635-E663 HydrophobicContact CG2-CG 3.99Å; R638-E663 IonicContact CZ-OE1 2.82Å; R638-E663 IonicContact CZ-OE2 3.87Å; R638-E663 IonicContact NH2-OE1 3.29Å; R638-E663 PolarHBondContact NH2-OE1 3.49Å; R638-E663 IonicContact NH2-OE2 3.87Å; R638-E663 PolarHBondContact NH2-OE2 2.97Å; E659-E663 WeakPolarHBondContact O-CB 3.39Å; E659-E663 PolarHBondContact O-N 3.45Å; A660-E663 PolarHBondContact O-N 3.05Å; E663-G665 PolarHBondContact O-N 3.37Å; E663-Q666 WeakPolarHBondContact O-CB 3.35Å; E663-Q666 PolarHBondContact O-N 3.16Å; E663-Q666 VanDerWaalsContact O-N 3.13Å; E663-L667 WeakPolarHBondContact O-CG 3.46Å; E663-L667 PolarHBondContact O-N 3.32Å; E663-L667 VanDerWaalsContact O-N 3.08Å
664	I	96.7	Very high	93.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.6	-33.8	173.5	-68.9	170.2	0	0	0	111.6	I632 V635 L636 A660 L667 C709 Q713 L716	I632-I664 HydrophobicContact CD1-CG1 4.42Å; I632-I664 HydrophobicContact CD1-CG2 3.95Å; V635-I664 HydrophobicContact CB-CG1 4.23Å; V635-I664 HydrophobicContact CG1-CD1 4.32Å; V635-I664 HydrophobicContact CG1-CG1 3.93Å; L636-I664 HydrophobicContact CD2-CD1 3.99Å; L636-I664 HydrophobicContact CG-CD1 4.3Å; A660-I664 VanDerWaalsContact O-CG1 3.31Å; A660-I664 WeakPolarHBondContact O-CG1 3.46Å; A660-I664 PolarHBondContact O-N 3.44Å; I664-L667 WeakPolarHBondContact O-CB 3.44Å; I664-L667 PolarHBondContact O-N 3.43Å; I664-C709 HydrophobicContact CG2-CB 4.14Å; I664-C709 WeakPolarHBondContact O-CB 3.16Å; I664-C709 PolarHBondContact O-SG 2.79Å; I664-Q713 HydrophobicContact CB-CG 4.25Å; I664-Q713 HydrophobicContact CG2-CG 3.9Å; I664-L716 HydrophobicContact CD1-CD1 3.66Å
665	G	96.1	Very high	93.7	Very high	18 Å²	18	52.4 Å²	52.4	19%	0.186	27%	0.272	C	S	.	.	H	α-helix	trans	-66.5	-42.6	174.6	0	0	0	0	0	113	I661 Q662 E663 L667 V668	I661-G665 PolarHBondContact O-N 3.24Å; Q662-G665 CarbonylContact O-C 3.59Å; Q662-G665 WeakPolarHBondContact O-CA 3.37Å; Q662-G665 PolarHBondContact O-N 3.26Å; E663-G665 PolarHBondContact O-N 3.37Å; G665-L667 PolarHBondContact O-N 3.37Å; G665-V668 WeakPolarHBondContact O-CB 3.26Å; G665-V668 WeakPolarHBondContact O-CG2 3.25Å; G665-V668 PolarHBondContact O-N 3.18Å; G665-V668 VanDerWaalsContact O-N 3.11Å
666	Q	95.8	Very high	93.8	Very high	105 Å²	105	55 Å²	55	49%	0.491	28%	0.278	S	S	.	.	H	α-helix	trans	-63.2	-31.3	176.6	-69	170.8	6	0	0	111.7	Q662 E663 V668 D669 C670	Q662-Q666 WeakPolarHBondContact O-CG 3.32Å; Q662-Q666 PolarHBondContact O-N 3.36Å; E663-Q666 WeakPolarHBondContact O-CB 3.35Å; E663-Q666 PolarHBondContact O-N 3.16Å; E663-Q666 VanDerWaalsContact O-N 3.13Å; Q666-V668 PolarHBondContact O-N 3.23Å; Q666-D669 PolarHBondContact O-N 3.33Å; Q666-C670 PolarHBondContact O-N 3.5Å
667	L	95.3	Very high	93.8	Very high	12 Å²	12	54.4 Å²	54.4	6%	0.063	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-3.9	173.5	-68.7	178.4	0	0	0	114.2	F628 D631 I632 V635 E663 I664 G665 C670 R705	F628-L667 HydrophobicContact CE2-CB 4.34Å; D631-L667 HydrophobicContact CB-CD1 4.16Å; D631-L667 HydrophobicContact CB-CD2 4.3Å; I632-L667 HydrophobicContact CD1-CD1 3.66Å; I632-L667 HydrophobicContact CG1-CD1 4.33Å; V635-L667 HydrophobicContact CG2-CD1 4.08Å; E663-L667 WeakPolarHBondContact O-CG 3.46Å; E663-L667 PolarHBondContact O-N 3.32Å; E663-L667 VanDerWaalsContact O-N 3.08Å; I664-L667 WeakPolarHBondContact O-CB 3.44Å; I664-L667 PolarHBondContact O-N 3.43Å; G665-L667 PolarHBondContact O-N 3.37Å; L667-C670 WeakPolarHBondContact CA-O 3.11Å; L667-R705 PolarHBondContact O-NE 3.02Å; L667-R705 PolarHBondContact O-NH2 3.43Å
668	V	93.5	Very high	93.7	Very high	19 Å²	19	54.3 Å²	54.3	12%	0.115	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-39.2	170	177.3	0	0	0	0	112.1	G665 Q666 Q702 R705 K706 C709	G665-V668 WeakPolarHBondContact O-CB 3.26Å; G665-V668 WeakPolarHBondContact O-CG2 3.25Å; G665-V668 PolarHBondContact O-N 3.18Å; G665-V668 VanDerWaalsContact O-N 3.11Å; Q666-V668 PolarHBondContact O-N 3.23Å; V668-Q702 PolarHBondContact O-NE2 3.23Å; V668-R705 WeakPolarHBondContact O-CD 3.46Å; V668-R705 PolarHBondContact O-NE 3.16Å; V668-R705 PolarHBondContact O-NH1 3.03Å; V668-K706 HydrophobicContact CG1-CB 4.19Å; V668-K706 HydrophobicContact CG1-CG 4.26Å; V668-C709 HydrophobicContact CG2-CB 3.36Å
669	D	91.1	Very high	93.6	Very high	124 Å²	124	53.8 Å²	53.8	66%	0.663	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-34.4	-171.7	-60.2	-48.9	0	0	0	111.5	Q666	Q666-D669 PolarHBondContact O-N 3.33Å
670	C	91.7	Very high	93.3	Very high	80 Å²	80	55 Å²	55	54%	0.541	28%	0.282	S	S	.	.	S	Bend	trans	-111.3	119.4	-179.5	-61	0	0	0	0	110	Q666 L667 R705	Q666-C670 PolarHBondContact O-N 3.5Å; L667-C670 WeakPolarHBondContact CA-O 3.11Å; C670-R705 PolarHBondContact O-NH2 2.74Å
671	P	90.4	Very high	92.8	Very high	40 Å²	40	58.3 Å²	58.3	26%	0.26	30%	0.299	S	S	.	.			trans	-62.9	147.7	177.6	28	-34	0	0	0	110.4	L675 Q676	P671-L675 HydrophobicContact CB-CB 3.84Å; P671-L675 HydrophobicContact CB-CD2 3.79Å; P671-L675 HydrophobicContact CB-CG 3.74Å; P671-Q676 HydrophobicContact CB-CB 4.31Å; P671-Q676 HydrophobicContact CG-CB 4.21Å
672	G	92.4	Very high	92.2	Very high	13 Å²	13	58.8 Å²	58.8	13%	0.134	30%	0.3	C	S	.	.			trans	-78.4	-177.9	169.6	0	0	0	0	0	110.8	D631 Y674 L675 Q676	D631-G672 VanDerWaalsContact CG-CA 3.41Å; D631-G672 VanDerWaalsContact OD1-C 3.25Å; D631-G672 WeakPolarHBondContact OD1-CA 3.37Å; D631-G672 VanDerWaalsContact OD2-CA 3.32Å; D631-G672 WeakPolarHBondContact OD2-CA 3.45Å; D631-G672 PolarHBondContact OD2-N 2.88Å; G672-Y674 VanDerWaalsContact C-N 3.28Å; G672-Y674 PolarHBondContact O-N 3.37Å; G672-L675 PolarHBondContact O-N 3.29Å; G672-Q676 WeakPolarHBondContact O-CB 3.29Å; G672-Q676 PolarHBondContact O-N 2.84Å
673	E	92.9	Very high	91.1	Very high	108 Å²	108	63.2 Å²	63.2	51%	0.505	31%	0.312	S	S	.	.	H	α-helix	trans	-56.1	-41.7	-175.7	-64.2	-176.1	170.9	0	0	112.5	F150 D631 E677	F150-E673 WeakPolarHBondContact CD2-OE1 3.3Å; F150-E673 WeakPolarHBondContact CD2-OE2 3.49Å; F150-E673 VanDerWaalsContact CE2-OE1 3.25Å; F150-E673 WeakPolarHBondContact CE2-OE1 3.43Å; D631-E673 PolarHBondContact OD1-N 3.33Å; D631-E673 VanDerWaalsContact OD1-N 3.17Å; E673-E677 WeakPolarHBondContact O-CB 3.36Å; E673-E677 PolarHBondContact O-N 3.28Å
674	Y	94.2	Very high	89.8	Confident	51 Å²	51	68.7 Å²	68.7	20%	0.2	34%	0.337	C	S	.	.	H	α-helix	trans	-71.3	-51.1	-178.7	-73.2	-79.6	0	0	0	111.3	N581 Y627 L630 D631 G672 Q676 E677 F678	N581-Y674 VanDerWaalsContact OD1-CE1 3.31Å; N581-Y674 WeakPolarHBondContact OD1-CE1 3.27Å; N581-Y674 PolarHBondContact OD1-OH 2.52Å; Y627-Y674 HydrophobicContact CD1-CD1 4.34Å; Y627-Y674 WeakPolarHBondContact CD1-O 3.31Å; Y627-Y674 VanDerWaalsContact O-CB 3.3Å; Y627-Y674 WeakPolarHBondContact O-CB 3.34Å; L630-Y674 HydrophobicContact CB-CD1 4.09Å; L630-Y674 HydrophobicContact CB-CD2 3.7Å; L630-Y674 HydrophobicContact CB-CE1 4.37Å; L630-Y674 HydrophobicContact CB-CE2 4.01Å; L630-Y674 HydrophobicContact CB-CG 3.72Å; L630-Y674 HydrophobicContact CD1-CD1 3.88Å; L630-Y674 HydrophobicContact CD1-CE1 3.95Å; L630-Y674 HydrophobicContact CD1-CG 4.36Å; D631-Y674 WeakPolarHBondContact OD1-CB 3.46Å; D631-Y674 WeakPolarHBondContact OD1-CD2 3.35Å; D631-Y674 PolarHBondContact OD1-N 3.1Å; G672-Y674 VanDerWaalsContact C-N 3.28Å; G672-Y674 PolarHBondContact O-N 3.37Å; Y674-Q676 PolarHBondContact O-N 3.47Å; Y674-E677 PolarHBondContact O-N 3Å; Y674-F678 PolarHBondContact O-N 3.19Å
675	L	93.3	Very high	88.8	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-63.4	-35.7	179.4	-177.7	60.3	0	0	0	111.4	K624 F628 D631 P671 G672 F678 E679 F701	K624-L675 HydrophobicContact CD-CD1 4.39Å; K624-L675 HydrophobicContact CG-CD1 3.65Å; F628-L675 HydrophobicContact CB-CD1 4.47Å; F628-L675 HydrophobicContact CB-CD2 4.35Å; F628-L675 HydrophobicContact CD2-CD2 3.95Å; F628-L675 HydrophobicContact CG-CD2 4.5Å; D631-L675 WeakPolarHBondContact OD2-CB 3.49Å; D631-L675 PolarHBondContact OD2-N 3.47Å; P671-L675 HydrophobicContact CB-CB 3.84Å; P671-L675 HydrophobicContact CB-CD2 3.79Å; P671-L675 HydrophobicContact CB-CG 3.74Å; G672-L675 PolarHBondContact O-N 3.29Å; L675-F678 HydrophobicContact CD1-CD1 4.45Å; L675-F678 WeakPolarHBondContact O-CB 3.43Å; L675-F678 PolarHBondContact O-N 3.41Å; L675-E679 HydrophobicContact CD1-CG 4.44Å; L675-E679 WeakPolarHBondContact O-CG 3.42Å; L675-E679 PolarHBondContact O-N 3.28Å; L675-F701 HydrophobicContact CD1-CE1 4.41Å; L675-F701 HydrophobicContact CD1-CZ 4.16Å; L675-F701 HydrophobicContact CD2-CE1 4.04Å; L675-F701 HydrophobicContact CD2-CZ 4.18Å
676	Q	92.9	Very high	87.8	Confident	87 Å²	87	70 Å²	70	41%	0.407	34%	0.343	S	S	.	.	H	α-helix	trans	-64.2	-46.3	175.1	-176.9	176.4	-3.6	0	0	111.4	P671 G672 Y674 F678 E679 E680	P671-Q676 HydrophobicContact CB-CB 4.31Å; P671-Q676 HydrophobicContact CG-CB 4.21Å; G672-Q676 WeakPolarHBondContact O-CB 3.29Å; G672-Q676 PolarHBondContact O-N 2.84Å; Y674-Q676 PolarHBondContact O-N 3.47Å; Q676-F678 VanDerWaalsContact C-N 3.26Å; Q676-F678 PolarHBondContact O-N 3.04Å; Q676-E679 PolarHBondContact O-N 3.39Å; Q676-E679 VanDerWaalsContact O-N 3.12Å; Q676-E680 HydrophobicContact CG-CG 4.27Å; Q676-E680 WeakPolarHBondContact CG-OE1 3.33Å; Q676-E680 PolarHBondContact NE2-OE1 2.87Å; Q676-E680 WeakPolarHBondContact O-CB 3.4Å; Q676-E680 WeakPolarHBondContact O-CG 3.37Å; Q676-E680 PolarHBondContact O-N 3.4Å
677	E	91.1	Very high	86.7	Confident	80 Å²	80	68.4 Å²	68.4	37%	0.374	34%	0.338	S	S	.	.	H	α-helix	trans	-55.2	-43.6	174.2	177.9	-177.8	177.5	0	0	111.3	E673 Y674 N681	E673-E677 WeakPolarHBondContact O-CB 3.36Å; E673-E677 PolarHBondContact O-N 3.28Å; Y674-E677 PolarHBondContact O-N 3Å; E677-N681 WeakPolarHBondContact CG-ND2 3.29Å; E677-N681 VanDerWaalsContact O-CB 3.25Å; E677-N681 WeakPolarHBondContact O-CB 3.16Å; E677-N681 VanDerWaalsContact O-CG 3.24Å; E677-N681 PolarHBondContact O-N 3.06Å; E677-N681 PolarHBondContact O-ND2 2.83Å; E677-N681 VanDerWaalsContact O-ND2 3.09Å
678	F	90.5	Very high	85.6	Confident	0 Å²	0	71 Å²	71	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-61.8	-47.1	175.8	175.4	-93.9	0	0	0	112	Y620 V623 K624 Y627 Y674 L675 Q676 N681 F682 F686 L691	Y620-F678 HydrophobicContact CD2-CZ 4.01Å; Y620-F678 AromaticContact CE2-CE1 3.71Å; Y620-F678 HydrophobicContact CE2-CE1 3.71Å; Y620-F678 AromaticContact CE2-CZ 3.59Å; Y620-F678 HydrophobicContact CE2-CZ 3.59Å; Y620-F678 AromaticContact CZ-CE1 3.83Å; V623-F678 HydrophobicContact CB-CE2 4.23Å; V623-F678 HydrophobicContact CG1-CD2 4.04Å; V623-F678 HydrophobicContact CG1-CE2 3.59Å; K624-F678 HydrophobicContact CB-CD1 4.26Å; K624-F678 HydrophobicContact CB-CE1 3.72Å; K624-F678 HydrophobicContact CB-CZ 3.99Å; K624-F678 HydrophobicContact CD-CD1 4.41Å; K624-F678 HydrophobicContact CD-CE1 3.92Å; K624-F678 HydrophobicContact CG-CD1 3.9Å; K624-F678 HydrophobicContact CG-CE1 3.66Å; K624-F678 HydrophobicContact CG-CZ 4.43Å; Y627-F678 HydrophobicContact CD1-CB 3.94Å; Y627-F678 HydrophobicContact CD2-CB 4.03Å; Y627-F678 AromaticContact CD2-CD2 3.83Å; Y627-F678 HydrophobicContact CD2-CD2 3.83Å; Y627-F678 HydrophobicContact CD2-CG 4.19Å; Y627-F678 HydrophobicContact CE1-CB 4.29Å; Y627-F678 HydrophobicContact CE2-CB 4.41Å; Y627-F678 AromaticContact CE2-CD2 3.89Å; Y627-F678 HydrophobicContact CE2-CD2 3.89Å; Y627-F678 HydrophobicContact CG-CB 3.78Å; Y627-F678 HydrophobicContact CG-CD2 4.45Å; Y627-F678 HydrophobicContact CG-CG 4.38Å; Y674-F678 PolarHBondContact O-N 3.19Å; L675-F678 HydrophobicContact CD1-CD1 4.45Å; L675-F678 WeakPolarHBondContact O-CB 3.43Å; L675-F678 PolarHBondContact O-N 3.41Å; Q676-F678 VanDerWaalsContact C-N 3.26Å; Q676-F678 PolarHBondContact O-N 3.04Å; F678-N681 PolarHBondContact O-N 3.37Å; F678-F682 HydrophobicContact CE1-CB 4.46Å; F678-F682 HydrophobicContact CZ-CD2 4.16Å; F678-F682 HydrophobicContact CZ-CG 4.49Å; F678-F682 WeakPolarHBondContact O-CB 3.27Å; F678-F682 PolarHBondContact O-N 3.31Å; F678-F686 AromaticContact CD2-CD2 3.7Å; F678-F686 HydrophobicContact CD2-CD2 3.7Å; F678-F686 AromaticContact CD2-CE2 3.42Å; F678-F686 HydrophobicContact CD2-CE2 3.42Å; F678-F686 VanDerWaalsContact CD2-CE2 3.42Å; F678-F686 HydrophobicContact CD2-CG 4.47Å; F678-F686 AromaticContact CD2-CZ 4Å; F678-F686 HydrophobicContact CD2-CZ 4Å; F678-F686 AromaticContact CE2-CD2 3.63Å; F678-F686 HydrophobicContact CE2-CD2 3.63Å; F678-F686 AromaticContact CE2-CE2 3.84Å; F678-F686 HydrophobicContact CE2-CE2 3.84Å; F678-F686 HydrophobicContact CE2-CG 4.05Å; F678-F686 HydrophobicContact CE2-CZ 4.41Å; F678-F686 HydrophobicContact CG-CE2 4.37Å; F678-L691 HydrophobicContact CE2-CD1 4.22Å; F678-L691 HydrophobicContact CZ-CD1 4.18Å
679	E	89.3	Confident	85	Confident	72 Å²	72	71.4 Å²	71.4	34%	0.336	37%	0.371	S	S	.	.	H	α-helix	trans	-68.2	-34.4	-177.8	-71.8	-178.5	165.5	0	0	113	K624 L675 Q676	K624-E679 WeakPolarHBondContact CE-OE1 3.47Å; K624-E679 IonicContact NZ-OE1 3.96Å; K624-E679 PolarHBondContact NZ-OE1 3.36Å; L675-E679 HydrophobicContact CD1-CG 4.44Å; L675-E679 WeakPolarHBondContact O-CG 3.42Å; L675-E679 PolarHBondContact O-N 3.28Å; Q676-E679 PolarHBondContact O-N 3.39Å; Q676-E679 VanDerWaalsContact O-N 3.12Å
680	E	88	Confident	84.6	Confident	122 Å²	122	68.7 Å²	68.7	57%	0.57	37%	0.365	S	S	*	.	H	α-helix	trans	-72.8	-39.2	176.2	-71.7	178.4	-177.9	0	0	112.3	Q676 F682	Q676-E680 HydrophobicContact CG-CG 4.27Å; Q676-E680 WeakPolarHBondContact CG-OE1 3.33Å; Q676-E680 PolarHBondContact NE2-OE1 2.87Å; Q676-E680 WeakPolarHBondContact O-CB 3.4Å; Q676-E680 WeakPolarHBondContact O-CG 3.37Å; Q676-E680 PolarHBondContact O-N 3.4Å; E680-F682 VanDerWaalsContact C-N 3.3Å
681	N	85.1	Confident	84.3	Confident	77 Å²	77	65.9 Å²	65.9	41%	0.412	35%	0.345	S	S	.	.	H	α-helix	trans	-75	-21.6	176	-71.2	-30.4	0	0	0	112.3	E677 F678 R683 F686	E677-N681 WeakPolarHBondContact CG-ND2 3.29Å; E677-N681 VanDerWaalsContact O-CB 3.25Å; E677-N681 WeakPolarHBondContact O-CB 3.16Å; E677-N681 VanDerWaalsContact O-CG 3.24Å; E677-N681 PolarHBondContact O-N 3.06Å; E677-N681 PolarHBondContact O-ND2 2.83Å; E677-N681 VanDerWaalsContact O-ND2 3.09Å; F678-N681 PolarHBondContact O-N 3.37Å; N681-R683 PolarHBondContact O-N 2.88Å; N681-F686 HydrophobicContact CB-CE2 4.22Å
682	F	83.3	Confident	84.1	Confident	34 Å²	34	68.7 Å²	68.7	15%	0.149	35%	0.353	C	S	.	.			trans	-86.5	106.5	179.7	-170.5	-94.1	0	0	0	111.6	Y620 F678 E680 F686 L691 L694	Y620-F682 HydrophobicContact CD2-CD2 4.3Å; Y620-F682 HydrophobicContact CD2-CE1 4.36Å; Y620-F682 AromaticContact CD2-CE2 3.67Å; Y620-F682 HydrophobicContact CD2-CE2 3.67Å; Y620-F682 AromaticContact CD2-CZ 3.7Å; Y620-F682 HydrophobicContact CD2-CZ 3.7Å; Y620-F682 AromaticContact CE2-CD1 3.94Å; Y620-F682 HydrophobicContact CE2-CD1 3.94Å; Y620-F682 AromaticContact CE2-CD2 3.83Å; Y620-F682 HydrophobicContact CE2-CD2 3.83Å; Y620-F682 AromaticContact CE2-CE1 3.61Å; Y620-F682 HydrophobicContact CE2-CE1 3.61Å; Y620-F682 AromaticContact CE2-CE2 3.52Å; Y620-F682 HydrophobicContact CE2-CE2 3.52Å; Y620-F682 HydrophobicContact CE2-CG 4.05Å; Y620-F682 AromaticContact CE2-CZ 3.4Å; Y620-F682 HydrophobicContact CE2-CZ 3.4Å; F678-F682 HydrophobicContact CE1-CB 4.46Å; F678-F682 HydrophobicContact CZ-CD2 4.16Å; F678-F682 HydrophobicContact CZ-CG 4.49Å; F678-F682 WeakPolarHBondContact O-CB 3.27Å; F678-F682 PolarHBondContact O-N 3.31Å; E680-F682 VanDerWaalsContact C-N 3.3Å; F682-F686 HydrophobicContact CD2-CB 4.02Å; F682-F686 HydrophobicContact CE2-CB 4.48Å; F682-L691 HydrophobicContact CD2-CD1 4.25Å; F682-L691 HydrophobicContact CE2-CB 4.42Å; F682-L691 HydrophobicContact CE2-CD1 3.92Å; F682-L691 HydrophobicContact CE2-CG 4.34Å; F682-L694 HydrophobicContact CE1-CD1 3.79Å; F682-L694 HydrophobicContact CE1-CD2 4.24Å; F682-L694 HydrophobicContact CZ-CD1 3.7Å; F682-L694 HydrophobicContact CZ-CD2 4.12Å
683	R	74.1	Confident	83.6	Confident	215 Å²	215	73.1 Å²	73.1	81%	0.811	37%	0.373	S	S	*	.	S	Bend	trans	-106.8	-94.6	168	-60.6	-175.8	-174.8	-176	1.9	110.2	N681	N681-R683 PolarHBondContact O-N 2.88Å
684	E	67.8	Low	83.2	Confident	186 Å²	186	71.4 Å²	71.4	87%	0.869	37%	0.367	S	S	*	.	S	Bend	trans	-100.6	-17.2	173.5	-61.4	-176	167.7	0	0	112.2
685	S	75.1	Confident	82.6	Confident	43 Å²	43	80 Å²	80	30%	0.301	40%	0.399	S	S	.	.	S	Bend	trans	-146.1	153.8	177.7	61.1	0	0	0	0	109.4	G688 V689	S685-G688 WeakPolarHBondContact OG-CA 3.47Å; S685-V689 CarbonylContact C-O 3.51Å; S685-V689 WeakPolarHBondContact CA-O 3.3Å; S685-V689 WeakPolarHBondContact CB-O 3.17Å
686	F	75.5	Confident	82.1	Confident	1 Å²	1	83.8 Å²	83.8	0%	0.004	42%	0.423	C	S	.	.	B	Isolated β-bridge	trans	-98.2	115.8	174.4	-175.6	-109.2	0	0	0	108.7	Y587 V623 Y627 F678 N681 F682 G688 V689 L691	Y587-F686 HydrophobicContact CD1-CD1 4.24Å; Y587-F686 HydrophobicContact CD1-CE1 4.04Å; Y587-F686 AromaticContact CE1-CD1 3.66Å; Y587-F686 HydrophobicContact CE1-CD1 3.66Å; Y587-F686 AromaticContact CE1-CE1 3.89Å; Y587-F686 HydrophobicContact CE1-CE1 3.89Å; V623-F686 HydrophobicContact CG1-CD1 4.43Å; V623-F686 HydrophobicContact CG1-CE1 4.26Å; Y627-F686 HydrophobicContact CE2-CZ 4.04Å; Y627-F686 AromaticContact CZ-CZ 3.94Å; Y627-F686 WeakPolarHBondContact OH-CZ 3.43Å; F678-F686 AromaticContact CD2-CD2 3.7Å; F678-F686 HydrophobicContact CD2-CD2 3.7Å; F678-F686 AromaticContact CD2-CE2 3.42Å; F678-F686 HydrophobicContact CD2-CE2 3.42Å; F678-F686 VanDerWaalsContact CD2-CE2 3.42Å; F678-F686 HydrophobicContact CD2-CG 4.47Å; F678-F686 AromaticContact CD2-CZ 4Å; F678-F686 HydrophobicContact CD2-CZ 4Å; F678-F686 AromaticContact CE2-CD2 3.63Å; F678-F686 HydrophobicContact CE2-CD2 3.63Å; F678-F686 AromaticContact CE2-CE2 3.84Å; F678-F686 HydrophobicContact CE2-CE2 3.84Å; F678-F686 HydrophobicContact CE2-CG 4.05Å; F678-F686 HydrophobicContact CE2-CZ 4.41Å; F678-F686 HydrophobicContact CG-CE2 4.37Å; N681-F686 HydrophobicContact CB-CE2 4.22Å; F682-F686 HydrophobicContact CD2-CB 4.02Å; F682-F686 HydrophobicContact CE2-CB 4.48Å; F686-G688 PolarHBondContact O-N 3.1Å; F686-G688 VanDerWaalsContact O-N 3.11Å; F686-V689 PolarHBondContact N-O 2.85Å; F686-V689 WeakPolarHBondContact O-CA 3.5Å; F686-V689 WeakPolarHBondContact O-CB 3.29Å; F686-V689 PolarHBondContact O-N 3.41Å; F686-L691 HydrophobicContact CB-CD1 3.6Å; F686-L691 HydrophobicContact CB-CD2 4.41Å; F686-L691 HydrophobicContact CB-CG 3.89Å; F686-L691 HydrophobicContact CG-CD1 4.21Å
687	N	74	Confident	81.6	Confident	72 Å²	72	79.8 Å²	79.8	39%	0.385	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	34.8	-174.9	-63.7	-14.6	0	0	0	113.6	L588 V689	L588-N687 HydrophobicContact CD1-CB 4.23Å; L588-N687 HydrophobicContact CD2-CB 3.82Å; L588-N687 WeakPolarHBondContact CD2-O 3.49Å; L588-N687 HydrophobicContact CG-CB 4.22Å; N687-V689 VanDerWaalsContact C-N 3.34Å
688	G	72.2	Confident	81.3	Confident	67 Å²	67	79.9 Å²	79.9	69%	0.691	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	3.5	-176.7	0	0	0	0	0	115.3	S685 F686	S685-G688 WeakPolarHBondContact OG-CA 3.47Å; F686-G688 PolarHBondContact O-N 3.1Å; F686-G688 VanDerWaalsContact O-N 3.11Å
689	V	80.4	Confident	81	Confident	28 Å²	28	84.2 Å²	84.2	17%	0.17	44%	0.435	C	S	.	.	B	Isolated β-bridge	trans	-104.5	123.5	178.5	-176.1	0	0	0	0	110.7	L588 L591 M618 S685 F686 N687 L691	L588-V689 HydrophobicContact CD2-CG2 3.81Å; L591-V689 HydrophobicContact CD1-CB 4.34Å; L591-V689 HydrophobicContact CD1-CG1 4.02Å; L591-V689 HydrophobicContact CD1-CG2 3.76Å; M618-V689 HydrophobicContact CE-CG1 4.15Å; M618-V689 HydrophobicContact CG-CG1 4.36Å; S685-V689 CarbonylContact C-O 3.51Å; S685-V689 WeakPolarHBondContact CA-O 3.3Å; S685-V689 WeakPolarHBondContact CB-O 3.17Å; F686-V689 PolarHBondContact N-O 2.85Å; F686-V689 WeakPolarHBondContact O-CA 3.5Å; F686-V689 WeakPolarHBondContact O-CB 3.29Å; F686-V689 PolarHBondContact O-N 3.41Å; N687-V689 VanDerWaalsContact C-N 3.34Å; V689-L691 PolarHBondContact O-N 2.85Å
690	A	82.7	Confident	81	Confident	66 Å²	66	86.1 Å²	86.1	55%	0.545	44%	0.442	S	S	.	.			trans	-74.5	107.7	175.9	0	0	0	0	0	110.7	M618	M618-A690 WeakPolarHBondContact CE-O 3.49Å
691	L	85.2	Confident	81.1	Confident	22 Å²	22	80.5 Å²	80.5	12%	0.115	42%	0.416	C	S	.	.			trans	-75.7	148.3	177.7	-59.8	-177.6	0	0	0	111.7	M618 Y620 F678 F682 F686 V689	M618-L691 CarbonylContact O-C 3.52Å; M618-L691 WeakPolarHBondContact O-CA 2.77Å; Y620-L691 HydrophobicContact CD2-CB 4.24Å; Y620-L691 HydrophobicContact CD2-CD1 3.83Å; F678-L691 HydrophobicContact CE2-CD1 4.22Å; F678-L691 HydrophobicContact CZ-CD1 4.18Å; F682-L691 HydrophobicContact CD2-CD1 4.25Å; F682-L691 HydrophobicContact CE2-CB 4.42Å; F682-L691 HydrophobicContact CE2-CD1 3.92Å; F682-L691 HydrophobicContact CE2-CG 4.34Å; F686-L691 HydrophobicContact CB-CD1 3.6Å; F686-L691 HydrophobicContact CB-CD2 4.41Å; F686-L691 HydrophobicContact CB-CG 3.89Å; F686-L691 HydrophobicContact CG-CD1 4.21Å; V689-L691 PolarHBondContact O-N 2.85Å
692	K	85.2	Confident	81.4	Confident	99 Å²	99	80.7 Å²	80.7	43%	0.43	41%	0.414	S	S	.	.	B	Isolated β-bridge	trans	-95.7	163.7	-178.2	-64.8	179.4	-178.4	173.6	0	111.7	M618 Y620 L694	M618-K692 PolarHBondContact O-N 3.16Å; Y620-K692 WeakPolarHBondContact CB-O 3.24Å; Y620-K692 PolarHBondContact N-O 3.16Å; Y620-K692 VanDerWaalsContact N-O 3.07Å; K692-L694 PolarHBondContact O-N 2.99Å; K692-L694 VanDerWaalsContact O-N 3.15Å
693	N	82.8	Confident	81.8	Confident	106 Å²	106	82.2 Å²	82.2	57%	0.567	43%	0.429	S	S	*	.	S	Bend	trans	62.1	15.6	173.8	-56.4	-38.9	0	0	0	116.8	D619 R695 V696 A697	D619-N693 PolarHBondContact OD1-ND2 3.45Å; N693-R695 PolarHBondContact O-N 2.81Å; N693-V696 PolarHBondContact O-N 3.47Å; N693-A697 WeakPolarHBondContact O-CB 3.33Å; N693-A697 PolarHBondContact O-N 3.42Å
694	L	84.4	Confident	82.7	Confident	72 Å²	72	72.9 Å²	72.9	38%	0.377	40%	0.395	S	S	.	.	H	α-helix	trans	-44	-57.6	-175	179.7	63.9	0	0	0	114.5	Y620 F682 K692 V696 A697 E698	Y620-L694 HydrophobicContact CD1-CD1 3.83Å; Y620-L694 HydrophobicContact CD2-CD1 3.45Å; Y620-L694 VanDerWaalsContact CD2-CD1 3.45Å; Y620-L694 HydrophobicContact CE1-CD1 3.7Å; Y620-L694 HydrophobicContact CE2-CD1 3.33Å; Y620-L694 HydrophobicContact CG-CD1 3.7Å; Y620-L694 VanDerWaalsContact CZ-CD1 3.44Å; F682-L694 HydrophobicContact CE1-CD1 3.79Å; F682-L694 HydrophobicContact CE1-CD2 4.24Å; F682-L694 HydrophobicContact CZ-CD1 3.7Å; F682-L694 HydrophobicContact CZ-CD2 4.12Å; K692-L694 PolarHBondContact O-N 2.99Å; K692-L694 VanDerWaalsContact O-N 3.15Å; L694-V696 PolarHBondContact O-N 2.9Å; L694-A697 PolarHBondContact O-N 3.41Å; L694-E698 WeakPolarHBondContact O-CB 3.22Å; L694-E698 PolarHBondContact O-N 3.06Å
695	R	81.4	Confident	83.9	Confident	230 Å²	230	64.7 Å²	64.7	87%	0.868	36%	0.356	S	S	*	.	H	α-helix	trans	-61.9	-41.2	-173.2	-65.5	-175.6	-178	-179.3	0.6	113.2	N693 S699	N693-R695 PolarHBondContact O-N 2.81Å; R695-S699 PolarHBondContact O-N 2.91Å
696	V	83.6	Confident	84.8	Confident	81 Å²	81	69.1 Å²	69.1	49%	0.491	37%	0.37	S	S	.	.	H	α-helix	trans	-72.6	-43.4	-179.3	179.6	0	0	0	0	109.7	N693 L694 S699 K700	N693-V696 PolarHBondContact O-N 3.47Å; L694-V696 PolarHBondContact O-N 2.9Å; V696-S699 PolarHBondContact O-N 3.13Å; V696-S699 PolarHBondContact O-OG 3.14Å; V696-K700 HydrophobicContact CG1-CD 4.32Å; V696-K700 PolarHBondContact O-N 3.07Å
697	A	81.9	Confident	85.7	Confident	2 Å²	2	73 Å²	73	2%	0.017	39%	0.387	C	S	.	.	H	α-helix	trans	-60.4	-48.5	178.2	0	0	0	0	0	111.5	Y620 Q621 N693 L694 S699 K700 F701	Y620-A697 HydrophobicContact CD1-CB 3.69Å; Q621-A697 HydrophobicContact CB-CB 3.76Å; Q621-A697 HydrophobicContact CG-CB 4.37Å; N693-A697 WeakPolarHBondContact O-CB 3.33Å; N693-A697 PolarHBondContact O-N 3.42Å; L694-A697 PolarHBondContact O-N 3.41Å; A697-S699 VanDerWaalsContact C-N 3.32Å; A697-S699 PolarHBondContact O-N 2.81Å; A697-K700 PolarHBondContact O-N 2.68Å; A697-F701 WeakPolarHBondContact O-CB 3.12Å; A697-F701 PolarHBondContact O-N 3.16Å
698	E	85.1	Confident	86.7	Confident	82 Å²	82	69.5 Å²	69.5	38%	0.383	37%	0.368	S	S	.	.	H	α-helix	trans	-61.7	-40.1	-178.8	-161.3	59.3	-150	0	0	112.1	Y620 K624 L694 K700 F701	Y620-E698 VanDerWaalsContact CE1-OE2 3.22Å; Y620-E698 WeakPolarHBondContact CE1-OE2 3.49Å; Y620-E698 PolarHBondContact OH-OE2 3.38Å; K624-E698 VanDerWaalsContact NZ-CD 3.31Å; K624-E698 IonicContact NZ-OE1 3.75Å; K624-E698 PolarHBondContact NZ-OE1 2.96Å; K624-E698 IonicContact NZ-OE2 2.77Å; K624-E698 PolarHBondContact NZ-OE2 2.92Å; L694-E698 WeakPolarHBondContact O-CB 3.22Å; L694-E698 PolarHBondContact O-N 3.06Å; E698-K700 PolarHBondContact O-N 3.27Å; E698-F701 PolarHBondContact O-N 2.97Å
699	S	84.3	Confident	87.8	Confident	91 Å²	91	66.3 Å²	66.3	64%	0.636	34%	0.335	S	S	*	.	H	α-helix	trans	-63.4	-27.1	177.2	74	0	0	0	0	113.8	R695 V696 A697	R695-S699 PolarHBondContact O-N 2.91Å; V696-S699 PolarHBondContact O-N 3.13Å; V696-S699 PolarHBondContact O-OG 3.14Å; A697-S699 VanDerWaalsContact C-N 3.32Å; A697-S699 PolarHBondContact O-N 2.81Å
700	K	89	Confident	88.5	Confident	112 Å²	112	68.3 Å²	68.3	49%	0.487	35%	0.351	S	S	.	.	H	α-helix	trans	-97.2	-27.7	-178.8	-68.2	179.7	-177.8	178.3	0	112.7	V696 A697 E698 Q702 S703 I704	V696-K700 HydrophobicContact CG1-CD 4.32Å; V696-K700 PolarHBondContact O-N 3.07Å; A697-K700 PolarHBondContact O-N 2.68Å; E698-K700 PolarHBondContact O-N 3.27Å; K700-Q702 VanDerWaalsContact C-N 3.32Å; K700-Q702 PolarHBondContact O-N 3.33Å; K700-S703 WeakPolarHBondContact O-CB 3.46Å; K700-S703 PolarHBondContact O-N 3.4Å; K700-I704 HydrophobicContact CB-CD1 4.47Å; K700-I704 PolarHBondContact O-N 2.64Å; K700-I704 VanDerWaalsContact O-N 3.14Å
701	F	90.1	Very high	89	Confident	4 Å²	4	71.4 Å²	71.4	2%	0.018	35%	0.348	C	S	.	.	H	α-helix	trans	-57.6	-43.7	-169.8	-174.5	-102.1	0	0	0	112	K624 F628 L675 A697 E698 S703 I704 R705	K624-F701 HydrophobicContact CB-CE2 4.25Å; K624-F701 HydrophobicContact CD-CD1 4.01Å; K624-F701 HydrophobicContact CD-CD2 4.01Å; K624-F701 HydrophobicContact CD-CE1 3.98Å; K624-F701 HydrophobicContact CD-CE2 3.98Å; K624-F701 HydrophobicContact CD-CG 4.03Å; K624-F701 HydrophobicContact CD-CZ 3.96Å; K624-F701 VanDerWaalsContact CE-CE1 3.48Å; K624-F701 HydrophobicContact CG-CD2 4.19Å; K624-F701 HydrophobicContact CG-CE1 4.2Å; K624-F701 HydrophobicContact CG-CE2 3.7Å; K624-F701 HydrophobicContact CG-CZ 3.7Å; F628-F701 HydrophobicContact CB-CE2 4.47Å; F628-F701 HydrophobicContact CB-CZ 3.92Å; F628-F701 HydrophobicContact CD1-CZ 4.47Å; F628-F701 HydrophobicContact CG-CZ 4.12Å; L675-F701 HydrophobicContact CD1-CE1 4.41Å; L675-F701 HydrophobicContact CD1-CZ 4.16Å; L675-F701 HydrophobicContact CD2-CE1 4.04Å; L675-F701 HydrophobicContact CD2-CZ 4.18Å; A697-F701 WeakPolarHBondContact O-CB 3.12Å; A697-F701 PolarHBondContact O-N 3.16Å; E698-F701 PolarHBondContact O-N 2.97Å; F701-S703 VanDerWaalsContact C-N 3.25Å; F701-S703 PolarHBondContact O-N 2.94Å; F701-I704 WeakPolarHBondContact O-CB 3.2Å; F701-I704 PolarHBondContact O-N 3.34Å; F701-I704 VanDerWaalsContact O-N 3.08Å; F701-R705 HydrophobicContact CE1-CB 4.41Å; F701-R705 VanDerWaalsContact O-CB 3.28Å; F701-R705 WeakPolarHBondContact O-CB 3.24Å; F701-R705 PolarHBondContact O-N 2.78Å
702	Q	91.1	Very high	89.4	Confident	82 Å²	82	70.3 Å²	70.3	38%	0.383	34%	0.342	S	S	.	.	H	α-helix	trans	-61.5	-33.6	179	-168.3	60.4	9.8	0	0	113.2	V668 K700 K706	V668-Q702 PolarHBondContact O-NE2 3.23Å; K700-Q702 VanDerWaalsContact C-N 3.32Å; K700-Q702 PolarHBondContact O-N 3.33Å; Q702-K706 VanDerWaalsContact O-CB 3.31Å; Q702-K706 WeakPolarHBondContact O-CB 3.26Å; Q702-K706 PolarHBondContact O-N 3.33Å
703	S	91.9	Very high	89.8	Confident	65 Å²	65	68 Å²	68	46%	0.455	33%	0.333	S	S	.	.	H	α-helix	trans	-69.7	-42.7	174.7	-174.1	0	0	0	0	111.6	K700 F701 K707	K700-S703 WeakPolarHBondContact O-CB 3.46Å; K700-S703 PolarHBondContact O-N 3.4Å; F701-S703 VanDerWaalsContact C-N 3.25Å; F701-S703 PolarHBondContact O-N 2.94Å; S703-K707 WeakPolarHBondContact O-CB 3.47Å; S703-K707 VanDerWaalsContact O-CG 3.28Å; S703-K707 WeakPolarHBondContact O-CG 3.46Å; S703-K707 PolarHBondContact O-N 2.83Å
704	I	92.6	Very high	90.3	Very high	20 Å²	20	64.4 Å²	64.4	10%	0.103	32%	0.321	C	S	.	.	H	α-helix	trans	-62.1	-50.1	176.2	-65.3	168.8	0	0	0	110	L523 L625 K700 F701 K706 K707 I708	L523-I704 HydrophobicContact CD2-CG2 4.11Å; L625-I704 HydrophobicContact CD1-CG2 4.27Å; K700-I704 HydrophobicContact CB-CD1 4.47Å; K700-I704 PolarHBondContact O-N 2.64Å; K700-I704 VanDerWaalsContact O-N 3.14Å; F701-I704 WeakPolarHBondContact O-CB 3.2Å; F701-I704 PolarHBondContact O-N 3.34Å; F701-I704 VanDerWaalsContact O-N 3.08Å; I704-K706 PolarHBondContact O-N 2.91Å; I704-K707 PolarHBondContact O-N 3.44Å; I704-I708 HydrophobicContact CG2-CD1 3.7Å; I704-I708 HydrophobicContact CG2-CG1 4.37Å; I704-I708 WeakPolarHBondContact O-CG1 3.42Å; I704-I708 PolarHBondContact O-N 3Å
705	R	93.8	Very high	90.5	Very high	13 Å²	13	61.5 Å²	61.5	5%	0.049	31%	0.305	C	S	.	.	H	α-helix	trans	-53.1	-53.7	177.2	-170.5	-177.2	-177.5	-170.7	-7.7	111.7	F628 L667 V668 C670 F701 K707 I708 C709	F628-R705 HydrophobicContact CD2-CG 4.3Å; F628-R705 HydrophobicContact CE1-CB 4.34Å; F628-R705 HydrophobicContact CE1-CG 4.03Å; F628-R705 HydrophobicContact CE2-CG 3.65Å; F628-R705 HydrophobicContact CZ-CB 4.27Å; F628-R705 HydrophobicContact CZ-CG 3.51Å; L667-R705 PolarHBondContact O-NE 3.02Å; L667-R705 PolarHBondContact O-NH2 3.43Å; V668-R705 WeakPolarHBondContact O-CD 3.46Å; V668-R705 PolarHBondContact O-NE 3.16Å; V668-R705 PolarHBondContact O-NH1 3.03Å; C670-R705 PolarHBondContact O-NH2 2.74Å; F701-R705 HydrophobicContact CE1-CB 4.41Å; F701-R705 VanDerWaalsContact O-CB 3.28Å; F701-R705 WeakPolarHBondContact O-CB 3.24Å; F701-R705 PolarHBondContact O-N 2.78Å; R705-K707 VanDerWaalsContact C-N 3.33Å; R705-K707 PolarHBondContact O-N 2.93Å; R705-I708 PolarHBondContact O-N 3.13Å; R705-C709 PolarHBondContact O-N 3.08Å; R705-C709 PolarHBondContact O-SG 3.05Å
706	K	94	Very high	91	Very high	136 Å²	136	50.6 Å²	50.6	59%	0.591	26%	0.264	S	S	*	.	H	α-helix	trans	-59.3	-41.3	177.9	-173.9	173.1	-177.7	172.5	0	112.7	V668 Q702 I704 S710	V668-K706 HydrophobicContact CG1-CB 4.19Å; V668-K706 HydrophobicContact CG1-CG 4.26Å; Q702-K706 VanDerWaalsContact O-CB 3.31Å; Q702-K706 WeakPolarHBondContact O-CB 3.26Å; Q702-K706 PolarHBondContact O-N 3.33Å; I704-K706 PolarHBondContact O-N 2.91Å; K706-S710 WeakPolarHBondContact O-CB 3.38Å; K706-S710 PolarHBondContact O-N 3.07Å
707	K	94	Very high	91.2	Very high	82 Å²	82	48.9 Å²	48.9	36%	0.357	26%	0.256	S	S	.	.	H	α-helix	trans	-66.2	-46.5	178.1	-76.4	176.9	-178.3	-173.4	0	112.1	L523 S703 I704 R705 S710 R711	L523-K707 HydrophobicContact CD2-CB 4.16Å; L523-K707 HydrophobicContact CD2-CD 4.3Å; S703-K707 WeakPolarHBondContact O-CB 3.47Å; S703-K707 VanDerWaalsContact O-CG 3.28Å; S703-K707 WeakPolarHBondContact O-CG 3.46Å; S703-K707 PolarHBondContact O-N 2.83Å; I704-K707 PolarHBondContact O-N 3.44Å; R705-K707 VanDerWaalsContact C-N 3.33Å; R705-K707 PolarHBondContact O-N 2.93Å; K707-S710 PolarHBondContact O-N 3.16Å; K707-R711 WeakPolarHBondContact O-CB 3.44Å; K707-R711 VanDerWaalsContact O-CG 3.23Å; K707-R711 WeakPolarHBondContact O-CG 3.47Å; K707-R711 PolarHBondContact O-N 3.34Å
708	I	95.1	Very high	91.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.1	-52.3	178	-69.2	172	0	0	0	109.4	I518 L523 L526 L625 F628 L629 I632 I704 R705 S710 R711 S712	I518-I708 HydrophobicContact CD1-CG1 4.41Å; I518-I708 HydrophobicContact CD1-CG2 4.2Å; L523-I708 HydrophobicContact CD1-CG1 3.9Å; L523-I708 HydrophobicContact CD2-CG1 4.2Å; L526-I708 HydrophobicContact CD2-CD1 4.33Å; L625-I708 HydrophobicContact CD1-CD1 3.95Å; F628-I708 HydrophobicContact CD1-CD1 4.29Å; F628-I708 HydrophobicContact CE1-CB 3.98Å; F628-I708 HydrophobicContact CE1-CD1 3.94Å; F628-I708 HydrophobicContact CE1-CG2 3.89Å; F628-I708 HydrophobicContact CZ-CG2 4.41Å; L629-I708 HydrophobicContact CD2-CD1 4.39Å; I632-I708 HydrophobicContact CG1-CG2 4.36Å; I704-I708 HydrophobicContact CG2-CD1 3.7Å; I704-I708 HydrophobicContact CG2-CG1 4.37Å; I704-I708 WeakPolarHBondContact O-CG1 3.42Å; I704-I708 PolarHBondContact O-N 3Å; R705-I708 PolarHBondContact O-N 3.13Å; I708-S710 PolarHBondContact O-N 3.29Å; I708-R711 PolarHBondContact O-N 2.61Å; I708-S712 VanDerWaalsContact O-CB 3.31Å; I708-S712 WeakPolarHBondContact O-CB 3.32Å; I708-S712 PolarHBondContact O-N 3.45Å; I708-S712 PolarHBondContact O-OG 3.16Å
709	C	95.7	Very high	91.6	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-57.6	-51.8	178	-68.7	0	0	0	0	112.3	I664 V668 R705 R711 S712 Q713	I664-C709 HydrophobicContact CG2-CB 4.14Å; I664-C709 WeakPolarHBondContact O-CB 3.16Å; I664-C709 PolarHBondContact O-SG 2.79Å; V668-C709 HydrophobicContact CG2-CB 3.36Å; R705-C709 PolarHBondContact O-N 3.08Å; R705-C709 PolarHBondContact O-SG 3.05Å; C709-R711 VanDerWaalsContact C-N 3.34Å; C709-R711 PolarHBondContact O-N 2.71Å; C709-S712 PolarHBondContact O-N 3.1Å; C709-Q713 WeakPolarHBondContact O-CB 3.33Å; C709-Q713 VanDerWaalsContact O-CG 3.27Å; C709-Q713 WeakPolarHBondContact O-CG 3.34Å; C709-Q713 PolarHBondContact O-N 3.39Å
710	S	94.3	Very high	91.6	Very high	70 Å²	70	47.1 Å²	47.1	49%	0.49	24%	0.237	S	C	.	.	H	α-helix	trans	-59.7	-42.1	-178	169.4	0	0	0	0	112.8	K706 K707 I708 G714	K706-S710 WeakPolarHBondContact O-CB 3.38Å; K706-S710 PolarHBondContact O-N 3.07Å; K707-S710 PolarHBondContact O-N 3.16Å; I708-S710 PolarHBondContact O-N 3.29Å; S710-G714 PolarHBondContact O-N 3.09Å; S710-G714 VanDerWaalsContact O-N 3.11Å
711	R	93	Very high	91.4	Very high	130 Å²	130	43.4 Å²	43.4	49%	0.491	22%	0.223	S	C	.	.	H	α-helix	trans	-69.8	-43.7	178.3	-67.7	-74.3	-168.2	177.9	2.5	111.1	I518 E522 K707 I708 C709 Q713 G714 I715	I518-R711 HydrophobicContact CB-CB 4.46Å; I518-R711 HydrophobicContact CG2-CB 3.52Å; I518-R711 HydrophobicContact CG2-CG 4.45Å; E522-R711 IonicContact OE1-NH2 3.7Å; E522-R711 IonicContact OE2-CZ 2.86Å; E522-R711 IonicContact OE2-NE 3.83Å; E522-R711 IonicContact OE2-NH2 2.8Å; E522-R711 PolarHBondContact OE2-NH2 3.43Å; K707-R711 WeakPolarHBondContact O-CB 3.44Å; K707-R711 VanDerWaalsContact O-CG 3.23Å; K707-R711 WeakPolarHBondContact O-CG 3.47Å; K707-R711 PolarHBondContact O-N 3.34Å; I708-R711 PolarHBondContact O-N 2.61Å; C709-R711 VanDerWaalsContact C-N 3.34Å; C709-R711 PolarHBondContact O-N 2.71Å; R711-Q713 PolarHBondContact O-N 3.48Å; R711-G714 PolarHBondContact O-N 2.77Å; R711-G714 VanDerWaalsContact O-N 3.15Å; R711-I715 WeakPolarHBondContact O-CD1 3.44Å; R711-I715 VanDerWaalsContact O-CG1 3.32Å; R711-I715 WeakPolarHBondContact O-CG1 3.29Å; R711-I715 PolarHBondContact O-N 2.96Å
712	S	93.7	Very high	91.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.3	-45.1	175.6	-63	0	0	0	0	112.3	V514 I708 C709 G714 I715 L716	V514-S712 WeakPolarHBondContact CG1-OG 3.42Å; I708-S712 VanDerWaalsContact O-CB 3.31Å; I708-S712 WeakPolarHBondContact O-CB 3.32Å; I708-S712 PolarHBondContact O-N 3.45Å; I708-S712 PolarHBondContact O-OG 3.16Å; C709-S712 PolarHBondContact O-N 3.1Å; S712-G714 VanDerWaalsContact C-N 3.33Å; S712-G714 PolarHBondContact O-N 2.81Å; S712-I715 PolarHBondContact O-N 2.96Å; S712-L716 PolarHBondContact O-N 2.91Å; S712-L716 VanDerWaalsContact O-N 3.07Å
713	Q	94.8	Very high	90.7	Very high	51 Å²	51	49.6 Å²	49.6	24%	0.238	26%	0.256	C	S	.	.	H	α-helix	trans	-59.9	-42.3	174.5	-71.4	178.8	-57.4	0	0	112.1	I661 I664 C709 R711 L716 S717	I661-Q713 HydrophobicContact CG2-CB 4.14Å; I661-Q713 HydrophobicContact CG2-CG 4.02Å; I661-Q713 WeakPolarHBondContact O-CG 3.36Å; I661-Q713 PolarHBondContact O-NE2 2.8Å; I664-Q713 HydrophobicContact CB-CG 4.25Å; I664-Q713 HydrophobicContact CG2-CG 3.9Å; C709-Q713 WeakPolarHBondContact O-CB 3.33Å; C709-Q713 VanDerWaalsContact O-CG 3.27Å; C709-Q713 WeakPolarHBondContact O-CG 3.34Å; C709-Q713 PolarHBondContact O-N 3.39Å; R711-Q713 PolarHBondContact O-N 3.48Å; Q713-L716 PolarHBondContact O-N 2.91Å; Q713-S717 WeakPolarHBondContact O-CB 3.22Å; Q713-S717 PolarHBondContact O-N 3.25Å; Q713-S717 PolarHBondContact O-OG 3.22Å
714	G	91.8	Very high	90.5	Very high	29 Å²	29	46.5 Å²	46.5	30%	0.299	23%	0.234	S	C	.	.	H	α-helix	trans	-61.4	-43.6	176.9	0	0	0	0	0	112.7	S710 R711 S712 S717 Q718	S710-G714 PolarHBondContact O-N 3.09Å; S710-G714 VanDerWaalsContact O-N 3.11Å; R711-G714 PolarHBondContact O-N 2.77Å; R711-G714 VanDerWaalsContact O-N 3.15Å; S712-G714 VanDerWaalsContact C-N 3.33Å; S712-G714 PolarHBondContact O-N 2.81Å; G714-S717 PolarHBondContact O-N 2.81Å; G714-Q718 VanDerWaalsContact O-CG 3.24Å; G714-Q718 WeakPolarHBondContact O-CG 3.47Å; G714-Q718 PolarHBondContact O-N 3.32Å
715	I	90	Very high	90.2	Very high	12 Å²	12	49 Å²	49	6%	0.062	24%	0.242	C	C	.	.	H	α-helix	trans	-65.3	-43.9	179.6	-64.9	154.9	0	0	0	111	V514 A517 I518 R711 S712 Q718 R719	V514-I715 HydrophobicContact CG1-CD1 4.35Å; V514-I715 HydrophobicContact CG2-CG2 4.27Å; A517-I715 HydrophobicContact CB-CD1 3.46Å; A517-I715 VanDerWaalsContact CB-CD1 3.46Å; A517-I715 HydrophobicContact CB-CG1 4.04Å; I518-I715 HydrophobicContact CG2-CD1 3.84Å; R711-I715 WeakPolarHBondContact O-CD1 3.44Å; R711-I715 VanDerWaalsContact O-CG1 3.32Å; R711-I715 WeakPolarHBondContact O-CG1 3.29Å; R711-I715 PolarHBondContact O-N 2.96Å; S712-I715 PolarHBondContact O-N 2.96Å; I715-Q718 PolarHBondContact O-N 3.36Å; I715-R719 WeakPolarHBondContact O-CG 3.48Å; I715-R719 PolarHBondContact O-N 3.02Å
716	L	90.5	Very high	90	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-44.2	175.4	-71.7	-176.3	0	0	0	111.9	L636 L639 L657 I661 I664 S712 Q713 Q718 R719	L636-L716 HydrophobicContact CD2-CD1 3.84Å; L636-L716 HydrophobicContact CD2-CD2 3.91Å; L636-L716 HydrophobicContact CD2-CG 4.22Å; L639-L716 HydrophobicContact CD2-CD2 4.34Å; L657-L716 HydrophobicContact CD1-CB 4.2Å; L657-L716 HydrophobicContact CD1-CD2 4.25Å; I661-L716 HydrophobicContact CD1-CB 4Å; I661-L716 HydrophobicContact CG1-CB 3.66Å; I661-L716 HydrophobicContact CG1-CD1 3.98Å; I664-L716 HydrophobicContact CD1-CD1 3.66Å; S712-L716 PolarHBondContact O-N 2.91Å; S712-L716 VanDerWaalsContact O-N 3.07Å; Q713-L716 PolarHBondContact O-N 2.91Å; L716-Q718 VanDerWaalsContact C-N 3.26Å; L716-Q718 PolarHBondContact O-N 3.12Å; L716-R719 WeakPolarHBondContact O-CB 3.23Å; L716-R719 WeakPolarHBondContact O-CG 3.35Å; L716-R719 PolarHBondContact O-N 2.76Å
717	S	89.6	Confident	89.8	Confident	44 Å²	44	45 Å²	45	31%	0.308	23%	0.233	S	C	.	.	H	α-helix	trans	-61.9	-35	179.4	-59.4	0	0	0	0	112.5	Q713 G714 R719	Q713-S717 WeakPolarHBondContact O-CB 3.22Å; Q713-S717 PolarHBondContact O-N 3.25Å; Q713-S717 PolarHBondContact O-OG 3.22Å; G714-S717 PolarHBondContact O-N 2.81Å; S717-R719 PolarHBondContact O-N 2.85Å
718	Q	88.1	Confident	89.5	Confident	126 Å²	126	41.1 Å²	41.1	59%	0.589	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-12.9	176.4	-74.4	171.2	9.3	0	0	113.5	G714 I715 L716 L720	G714-Q718 VanDerWaalsContact O-CG 3.24Å; G714-Q718 WeakPolarHBondContact O-CG 3.47Å; G714-Q718 PolarHBondContact O-N 3.32Å; I715-Q718 PolarHBondContact O-N 3.36Å; L716-Q718 VanDerWaalsContact C-N 3.26Å; L716-Q718 PolarHBondContact O-N 3.12Å; Q718-L720 VanDerWaalsContact C-N 3.26Å; Q718-L720 PolarHBondContact O-N 3.35Å
719	R	86.9	Confident	89.2	Confident	3 Å²	3	47 Å²	47	1%	0.011	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-21.9	-180	-58	-152	138.7	-131.1	15.4	113.4	D477 P504 I505 E513 I715 L716 S717	D477-R719 IonicContact OD1-CZ 2.76Å; D477-R719 IonicContact OD1-NH1 3.91Å; D477-R719 PolarHBondContact OD1-NH1 3.21Å; D477-R719 IonicContact OD1-NH2 3.63Å; D477-R719 PolarHBondContact OD1-NH2 3.39Å; P504-R719 HydrophobicContact CB-CB 3.86Å; I505-R719 PolarHBondContact O-NH1 3.24Å; I505-R719 VanDerWaalsContact O-NH1 3.14Å; E513-R719 VanDerWaalsContact CD-NH2 3.31Å; E513-R719 IonicContact OE1-NH2 2.82Å; E513-R719 IonicContact OE2-CZ 3.69Å; E513-R719 IonicContact OE2-NE 3.86Å; E513-R719 PolarHBondContact OE2-NE 3.38Å; E513-R719 IonicContact OE2-NH2 2.85Å; E513-R719 PolarHBondContact OE2-NH2 2.89Å; I715-R719 WeakPolarHBondContact O-CG 3.48Å; I715-R719 PolarHBondContact O-N 3.02Å; L716-R719 WeakPolarHBondContact O-CB 3.23Å; L716-R719 WeakPolarHBondContact O-CG 3.35Å; L716-R719 PolarHBondContact O-N 2.76Å; S717-R719 PolarHBondContact O-N 2.85Å
720	L	83.9	Confident	88.8	Confident	10 Å²	10	47.3 Å²	47.3	5%	0.052	24%	0.244	C	C	.	.	S	Bend	trans	-109.8	114.1	-179	-176.7	64.8	0	0	0	109.3	L503 P504 E654 L657 Q718 R725	L503-L720 HydrophobicContact CD2-CD1 4.44Å; P504-L720 HydrophobicContact CG-CB 4.2Å; P504-L720 HydrophobicContact CG-CD1 3.88Å; E654-L720 HydrophobicContact CB-CD2 4.35Å; E654-L720 HydrophobicContact CG-CD2 4.13Å; L657-L720 HydrophobicContact CD2-CB 4.06Å; Q718-L720 VanDerWaalsContact C-N 3.26Å; Q718-L720 PolarHBondContact O-N 3.35Å; L720-R725 HydrophobicContact CD2-CB 3.78Å; L720-R725 HydrophobicContact CD2-CG 3.82Å; L720-R725 HydrophobicContact CG-CB 3.88Å; L720-R725 HydrophobicContact CG-CG 4.44Å
721	D	83.9	Confident	88.6	Confident	34 Å²	34	44 Å²	44	18%	0.182	22%	0.221	C	C	.	.			trans	-61.4	151.3	173.4	141.5	59.8	0	0	0	111.2	Q494 Q723 S724 R725	Q494-D721 PolarHBondContact NE2-OD2 3.1Å; Q494-D721 VanDerWaalsContact NE2-OD2 3.12Å; D721-Q723 PolarHBondContact O-N 3.09Å; D721-Q723 PolarHBondContact OD1-N 3.02Å; D721-Q723 WeakPolarHBondContact OD2-CB 3.35Å; D721-Q723 PolarHBondContact OD2-N 3.09Å; D721-S724 PolarHBondContact O-N 2.85Å; D721-S724 WeakPolarHBondContact OD2-CB 3.25Å; D721-S724 PolarHBondContact OD2-N 3.02Å; D721-S724 PolarHBondContact OD2-OG 3.47Å; D721-S724 VanDerWaalsContact OD2-OG 3.07Å; D721-R725 VanDerWaalsContact O-CB 3.25Å; D721-R725 WeakPolarHBondContact O-CB 3.36Å; D721-R725 PolarHBondContact O-N 2.84Å
722	L	83.5	Confident	88.2	Confident	149 Å²	149	41.3 Å²	41.3	78%	0.78	21%	0.214	S	C	*	.	H	α-helix	trans	-58	-43.8	178.1	-79.6	151	0	0	0	112.8	R725 S726	L722-R725 PolarHBondContact O-N 3.1Å; L722-S726 PolarHBondContact O-N 2.95Å; L722-S726 VanDerWaalsContact O-N 3.09Å
723	Q	84.3	Confident	87.8	Confident	66 Å²	66	41.5 Å²	41.5	31%	0.308	22%	0.215	S	C	.	.	H	α-helix	trans	-65.9	-51.9	178.9	176.6	178	-22.4	0	0	109.9	P498 L501 D721 R725 S726 F727 H760	P498-Q723 PolarHBondContact O-NE2 3.43Å; L501-Q723 HydrophobicContact CD2-CG 4.21Å; D721-Q723 PolarHBondContact O-N 3.09Å; D721-Q723 PolarHBondContact OD1-N 3.02Å; D721-Q723 WeakPolarHBondContact OD2-CB 3.35Å; D721-Q723 PolarHBondContact OD2-N 3.09Å; Q723-R725 VanDerWaalsContact C-N 3.28Å; Q723-R725 PolarHBondContact O-N 3.38Å; Q723-S726 PolarHBondContact O-N 3.25Å; Q723-S726 PolarHBondContact O-OG 3.43Å; Q723-F727 PolarHBondContact O-N 3.04Å; Q723-F727 VanDerWaalsContact O-N 3.11Å; Q723-H760 PolarHBondContact NE2-CE1 3.27Å; Q723-H760 VanDerWaalsContact NE2-CE1 3.33Å; Q723-H760 PolarHBondContact NE2-ND1 3.4Å
724	S	87.3	Confident	87.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-57.3	-36.4	173.9	-68	0	0	0	0	113.5	C502 D721 F727 T728	C502-S724 VanDerWaalsContact C-OG 3.3Å; C502-S724 PolarHBondContact N-OG 3.17Å; C502-S724 VanDerWaalsContact N-OG 3.08Å; C502-S724 WeakPolarHBondContact O-CB 3.41Å; C502-S724 PolarHBondContact O-OG 2.94Å; D721-S724 PolarHBondContact O-N 2.85Å; D721-S724 WeakPolarHBondContact OD2-CB 3.25Å; D721-S724 PolarHBondContact OD2-N 3.02Å; D721-S724 PolarHBondContact OD2-OG 3.47Å; D721-S724 VanDerWaalsContact OD2-OG 3.07Å; S724-F727 PolarHBondContact O-N 3.4Å; S724-T728 VanDerWaalsContact O-CB 3.23Å; S724-T728 WeakPolarHBondContact O-CB 3.49Å; S724-T728 PolarHBondContact O-N 3.43Å; S724-T728 PolarHBondContact O-OG1 3.2Å
725	R	87.1	Confident	86.4	Confident	73 Å²	73	40 Å²	40	28%	0.275	20%	0.202	S	C	.	.	H	α-helix	trans	-62	-51.9	176.1	-174.9	-177.2	-85.7	-112.8	1.6	110.7	E654 E658 L720 D721 L722 Q723 F727 T728 K729	E654-R725 WeakPolarHBondContact OE1-CG 3.31Å; E654-R725 IonicContact OE1-NH1 3.55Å; E658-R725 IonicContact OE1-CZ 3.5Å; E658-R725 IonicContact OE1-NH1 3.77Å; E658-R725 PolarHBondContact OE1-NH1 3.49Å; L720-R725 HydrophobicContact CD2-CB 3.78Å; L720-R725 HydrophobicContact CD2-CG 3.82Å; L720-R725 HydrophobicContact CG-CB 3.88Å; L720-R725 HydrophobicContact CG-CG 4.44Å; D721-R725 VanDerWaalsContact O-CB 3.25Å; D721-R725 WeakPolarHBondContact O-CB 3.36Å; D721-R725 PolarHBondContact O-N 2.84Å; L722-R725 PolarHBondContact O-N 3.1Å; Q723-R725 VanDerWaalsContact C-N 3.28Å; Q723-R725 PolarHBondContact O-N 3.38Å; R725-F727 VanDerWaalsContact C-N 3.27Å; R725-F727 PolarHBondContact O-N 3.09Å; R725-T728 PolarHBondContact O-N 3.42Å; R725-K729 WeakPolarHBondContact O-CB 3.49Å; R725-K729 PolarHBondContact O-N 3.1Å
726	S	87.9	Confident	85.7	Confident	63 Å²	63	40.1 Å²	40.1	44%	0.441	20%	0.202	S	C	.	.	H	α-helix	trans	-59.2	-39.8	179.7	69.2	0	0	0	0	112.3	L722 Q723 A730	L722-S726 PolarHBondContact O-N 2.95Å; L722-S726 VanDerWaalsContact O-N 3.09Å; Q723-S726 PolarHBondContact O-N 3.25Å; Q723-S726 PolarHBondContact O-OG 3.43Å; S726-A730 WeakPolarHBondContact O-CB 3.44Å; S726-A730 PolarHBondContact O-N 3.24Å; S726-A730 VanDerWaalsContact O-N 3.11Å
727	F	90.5	Very high	84.8	Confident	3 Å²	3	47.6 Å²	47.6	1%	0.013	24%	0.243	C	C	.	.	H	α-helix	trans	-68.2	-49.3	177.3	-175.1	-85.9	0	0	0	112.3	L501 Q723 S724 R725 K729 A730 C731 I757 H760 V820 L823	L501-F727 HydrophobicContact CD1-CB 4.35Å; L501-F727 HydrophobicContact CD1-CD1 3.46Å; L501-F727 VanDerWaalsContact CD1-CD1 3.46Å; L501-F727 HydrophobicContact CD1-CD2 3.94Å; L501-F727 HydrophobicContact CD1-CE1 3.61Å; L501-F727 HydrophobicContact CD1-CE2 4.05Å; L501-F727 HydrophobicContact CD1-CG 3.64Å; L501-F727 HydrophobicContact CD1-CZ 3.89Å; L501-F727 HydrophobicContact CD2-CB 4.29Å; L501-F727 HydrophobicContact CD2-CG 4.37Å; Q723-F727 PolarHBondContact O-N 3.04Å; Q723-F727 VanDerWaalsContact O-N 3.11Å; S724-F727 PolarHBondContact O-N 3.4Å; R725-F727 VanDerWaalsContact C-N 3.27Å; R725-F727 PolarHBondContact O-N 3.09Å; F727-K729 VanDerWaalsContact C-N 3.3Å; F727-K729 PolarHBondContact O-N 3.5Å; F727-A730 WeakPolarHBondContact O-CB 3.34Å; F727-A730 PolarHBondContact O-N 2.93Å; F727-A730 VanDerWaalsContact O-N 3.14Å; F727-C731 WeakPolarHBondContact CE1-SG 3.33Å; F727-C731 PolarHBondContact O-N 3.16Å; F727-C731 PolarHBondContact O-SG 3.28Å; F727-I757 HydrophobicContact CE2-CB 4.24Å; F727-I757 HydrophobicContact CE2-CG1 4.4Å; F727-I757 HydrophobicContact CE2-CG2 3.76Å; F727-I757 HydrophobicContact CZ-CG2 3.98Å; F727-H760 HydrophobicContact CD2-CB 3.8Å; F727-H760 AromaticContact CD2-CD2 3.74Å; F727-H760 AromaticContact CD2-CG 3.84Å; F727-H760 HydrophobicContact CE2-CB 4.02Å; F727-H760 AromaticContact CE2-CD2 3.6Å; F727-V820 HydrophobicContact CE1-CG2 4.26Å; F727-V820 HydrophobicContact CZ-CG2 4.01Å; F727-L823 HydrophobicContact CD1-CD1 4.18Å; F727-L823 HydrophobicContact CE1-CD1 3.43Å; F727-L823 VanDerWaalsContact CE1-CD1 3.43Å; F727-L823 HydrophobicContact CZ-CD1 4.14Å
728	T	88.4	Confident	84.2	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61	-40.6	-179.5	-56.1	0	0	0	0	111.3	L503 V650 V653 E654 S724 R725 C731	L503-T728 WeakPolarHBondContact CD2-OG1 3.44Å; V650-T728 HydrophobicContact CG1-CG2 4.23Å; V650-T728 WeakPolarHBondContact O-CG2 3.42Å; V653-T728 HydrophobicContact CB-CG2 4.11Å; E654-T728 HydrophobicContact CB-CG2 3.9Å; S724-T728 VanDerWaalsContact O-CB 3.23Å; S724-T728 WeakPolarHBondContact O-CB 3.49Å; S724-T728 PolarHBondContact O-N 3.43Å; S724-T728 PolarHBondContact O-OG1 3.2Å; R725-T728 PolarHBondContact O-N 3.42Å; T728-C731 WeakPolarHBondContact O-CB 3.49Å; T728-C731 PolarHBondContact O-N 3.49Å
729	K	87.3	Confident	83.9	Confident	124 Å²	124	43 Å²	43	54%	0.539	22%	0.221	S	C	.	.	H	α-helix	trans	-61.6	-47	174.2	-167.3	167.3	-179.4	170.1	0	111.7	E654 R725 F727 C731 Q732	E654-K729 VanDerWaalsContact OE2-CA 3.3Å; E654-K729 WeakPolarHBondContact OE2-CA 3.25Å; E654-K729 WeakPolarHBondContact OE2-CB 3.42Å; E654-K729 WeakPolarHBondContact OE2-CG 3.49Å; R725-K729 WeakPolarHBondContact O-CB 3.49Å; R725-K729 PolarHBondContact O-N 3.1Å; F727-K729 VanDerWaalsContact C-N 3.3Å; F727-K729 PolarHBondContact O-N 3.5Å; K729-C731 PolarHBondContact O-N 3.4Å; K729-Q732 VanDerWaalsContact O-CB 3.24Å; K729-Q732 WeakPolarHBondContact O-CB 3.47Å; K729-Q732 VanDerWaalsContact O-CG 3.28Å; K729-Q732 WeakPolarHBondContact O-CG 3.47Å; K729-Q732 PolarHBondContact O-N 2.95Å; K729-Q732 VanDerWaalsContact O-N 3.08Å
730	A	88.8	Confident	83.7	Confident	5 Å²	5	44.5 Å²	44.5	4%	0.041	23%	0.231	C	C	.	.	H	α-helix	trans	-61.3	-34.4	177	0	0	0	0	0	111.8	S726 F727 Q732 V733 E753 V756 I757	S726-A730 WeakPolarHBondContact O-CB 3.44Å; S726-A730 PolarHBondContact O-N 3.24Å; S726-A730 VanDerWaalsContact O-N 3.11Å; F727-A730 WeakPolarHBondContact O-CB 3.34Å; F727-A730 PolarHBondContact O-N 2.93Å; F727-A730 VanDerWaalsContact O-N 3.14Å; A730-Q732 PolarHBondContact O-N 3.48Å; A730-Q732 VanDerWaalsContact O-N 3.07Å; A730-V733 WeakPolarHBondContact O-CB 3.5Å; A730-V733 WeakPolarHBondContact O-CG1 3.3Å; A730-V733 PolarHBondContact O-N 3.14Å; A730-V733 VanDerWaalsContact O-N 3.07Å; A730-E753 HydrophobicContact CB-CB 4.11Å; A730-V756 HydrophobicContact CB-CB 4.04Å; A730-V756 HydrophobicContact CB-CG1 3.94Å; A730-I757 HydrophobicContact CB-CD1 4.28Å; A730-I757 HydrophobicContact CB-CG1 3.81Å
731	C	88.7	Confident	83.4	Confident	1 Å²	1	50 Å²	50	1%	0.007	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-61.1	-15.6	175.6	-68.1	0	0	0	0	114.3	S651 F727 T728 K729 V733 L734	S651-C731 WeakPolarHBondContact CB-O 3.18Å; F727-C731 WeakPolarHBondContact CE1-SG 3.33Å; F727-C731 PolarHBondContact O-N 3.16Å; F727-C731 PolarHBondContact O-SG 3.28Å; T728-C731 WeakPolarHBondContact O-CB 3.49Å; T728-C731 PolarHBondContact O-N 3.49Å; K729-C731 PolarHBondContact O-N 3.4Å; C731-V733 PolarHBondContact O-N 3.4Å; C731-L734 WeakPolarHBondContact O-CB 3.49Å; C731-L734 PolarHBondContact O-N 3.27Å
732	Q	84.6	Confident	83.2	Confident	74 Å²	74	52.1 Å²	52.1	35%	0.346	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-58.5	-27.1	171.8	-66.5	176.6	-1.7	0	0	112.4	K729 A730 L734 D735 S738	K729-Q732 VanDerWaalsContact O-CB 3.24Å; K729-Q732 WeakPolarHBondContact O-CB 3.47Å; K729-Q732 VanDerWaalsContact O-CG 3.28Å; K729-Q732 WeakPolarHBondContact O-CG 3.47Å; K729-Q732 PolarHBondContact O-N 2.95Å; K729-Q732 VanDerWaalsContact O-N 3.08Å; A730-Q732 PolarHBondContact O-N 3.48Å; A730-Q732 VanDerWaalsContact O-N 3.07Å; Q732-L734 PolarHBondContact O-N 3.42Å; Q732-L734 VanDerWaalsContact O-N 3.1Å; Q732-D735 VanDerWaalsContact O-CB 3.32Å; Q732-D735 WeakPolarHBondContact O-CB 3.43Å; Q732-D735 PolarHBondContact O-N 2.89Å; Q732-S738 PolarHBondContact O-OG 3.03Å
733	V	85.4	Confident	82.8	Confident	4 Å²	4	49.4 Å²	49.4	2%	0.024	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-59	-23.5	174.3	80	0	0	0	0	113.2	A730 C731 D735 W739 F749 E753 I754 I757 W783	A730-V733 WeakPolarHBondContact O-CB 3.5Å; A730-V733 WeakPolarHBondContact O-CG1 3.3Å; A730-V733 PolarHBondContact O-N 3.14Å; A730-V733 VanDerWaalsContact O-N 3.07Å; C731-V733 PolarHBondContact O-N 3.4Å; V733-D735 VanDerWaalsContact C-N 3.32Å; V733-W739 PolarHBondContact O-NE1 2.91Å; V733-F749 HydrophobicContact CG2-CD1 4.44Å; V733-F749 HydrophobicContact CG2-CE1 4.07Å; V733-E753 HydrophobicContact CB-CB 3.76Å; V733-E753 HydrophobicContact CB-CG 4.35Å; V733-E753 HydrophobicContact CG1-CB 3.99Å; V733-E753 HydrophobicContact CG2-CB 4.13Å; V733-I754 HydrophobicContact CG1-CD1 4.45Å; V733-I757 HydrophobicContact CG1-CD1 4.09Å; V733-W783 HydrophobicContact CG2-CH2 4.17Å; V733-W783 HydrophobicContact CG2-CZ2 3.68Å
734	L	80.3	Confident	82.5	Confident	16 Å²	16	51.3 Å²	51.3	8%	0.084	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-82.3	-14.1	177.6	-56.2	175.5	0	0	0	111.5	C731 Q732 L736 I754 I757 W783 F796 L817 V820	C731-L734 WeakPolarHBondContact O-CB 3.49Å; C731-L734 PolarHBondContact O-N 3.27Å; Q732-L734 PolarHBondContact O-N 3.42Å; Q732-L734 VanDerWaalsContact O-N 3.1Å; L734-L736 PolarHBondContact O-N 3.22Å; L734-I754 HydrophobicContact CD2-CD1 4.27Å; L734-I757 HydrophobicContact CD1-CD1 4.48Å; L734-W783 HydrophobicContact CD2-CH2 4.31Å; L734-W783 HydrophobicContact CD2-CZ3 4.32Å; L734-F796 HydrophobicContact CB-CE2 4.1Å; L734-F796 HydrophobicContact CB-CZ 4.25Å; L734-F796 WeakPolarHBondContact O-CD2 3.46Å; L734-F796 WeakPolarHBondContact O-CE2 3.46Å; L734-L817 HydrophobicContact CD1-CD2 4.48Å; L734-V820 HydrophobicContact CD1-CG1 4.16Å; L734-V820 HydrophobicContact CD1-CG2 4.21Å
735	D	77.5	Confident	82.2	Confident	32 Å²	32	55.6 Å²	55.6	17%	0.171	30%	0.297	C	S	.	.			trans	-81	114.4	177.6	-163.7	-16.7	0	0	0	110.8	Q732 V733 D737 S738	Q732-D735 VanDerWaalsContact O-CB 3.32Å; Q732-D735 WeakPolarHBondContact O-CB 3.43Å; Q732-D735 PolarHBondContact O-N 2.89Å; V733-D735 VanDerWaalsContact C-N 3.32Å; D735-D737 PolarHBondContact O-N 2.7Å; D735-D737 PolarHBondContact OD1-N 3.18Å; D735-S738 WeakPolarHBondContact O-CB 3.41Å; D735-S738 PolarHBondContact O-N 3.47Å; D735-S738 VanDerWaalsContact O-N 3.1Å; D735-S738 PolarHBondContact O-OG 3.25Å
736	L	74.5	Confident	81.9	Confident	14 Å²	14	52.3 Å²	52.3	7%	0.073	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-68.8	-22.2	-176.6	-59	-171.8	0	0	0	114.2	L734 S738 W739 Y790 S795 F796 I799	L734-L736 PolarHBondContact O-N 3.22Å; L736-S738 PolarHBondContact O-N 3.34Å; L736-W739 HydrophobicContact CD2-CD2 3.87Å; L736-W739 HydrophobicContact CD2-CE3 4.35Å; L736-W739 HydrophobicContact CD2-CG 4.2Å; L736-W739 HydrophobicContact CD2-CZ2 4.08Å; L736-W739 WeakPolarHBondContact O-CB 3.36Å; L736-W739 PolarHBondContact O-N 3.28Å; L736-Y790 HydrophobicContact CD1-CD2 4.46Å; L736-Y790 HydrophobicContact CD1-CE2 3.77Å; L736-Y790 HydrophobicContact CD2-CE2 4.3Å; L736-S795 VanDerWaalsContact CD1-C 3.4Å; L736-F796 HydrophobicContact CD1-CB 3.85Å; L736-F796 HydrophobicContact CD2-CD2 4.4Å; L736-F796 HydrophobicContact CG-CB 3.83Å; L736-F796 HydrophobicContact CG-CD2 3.96Å; L736-F796 HydrophobicContact CG-CG 4.36Å; L736-I799 HydrophobicContact CD1-CD1 3.4Å; L736-I799 VanDerWaalsContact CD1-CD1 3.4Å; L736-I799 HydrophobicContact CD1-CG1 4.16Å; L736-I799 HydrophobicContact CD2-CD1 3.29Å; L736-I799 HydrophobicContact CG-CD1 3.9Å
737	D	73.5	Confident	81.5	Confident	159 Å²	159	53.6 Å²	53.6	85%	0.85	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-65.1	-19.7	175.6	-67.8	-18	0	0	0	111.2	D735	D735-D737 PolarHBondContact O-N 2.7Å; D735-D737 PolarHBondContact OD1-N 3.18Å
738	S	76	Confident	81.1	Confident	54 Å²	54	58.1 Å²	58.1	38%	0.378	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-87.9	-7.7	175.9	77	0	0	0	0	114.3	Q732 D735 L736 F749	Q732-S738 PolarHBondContact O-OG 3.03Å; D735-S738 WeakPolarHBondContact O-CB 3.41Å; D735-S738 PolarHBondContact O-N 3.47Å; D735-S738 VanDerWaalsContact O-N 3.1Å; D735-S738 PolarHBondContact O-OG 3.25Å; L736-S738 PolarHBondContact O-N 3.34Å; S738-F749 WeakPolarHBondContact O-CZ 3.42Å
739	W	81.8	Confident	80.9	Confident	19 Å²	19	60.6 Å²	60.6	7%	0.072	32%	0.321	C	S	.	.	S	Bend	trans	-76.2	134.5	-172.5	-78.7	36.6	0	0	0	112.1	V733 L736 S741 L746 F749 W783 K787 Y790	V733-W739 PolarHBondContact O-NE1 2.91Å; L736-W739 HydrophobicContact CD2-CD2 3.87Å; L736-W739 HydrophobicContact CD2-CE3 4.35Å; L736-W739 HydrophobicContact CD2-CG 4.2Å; L736-W739 HydrophobicContact CD2-CZ2 4.08Å; L736-W739 WeakPolarHBondContact O-CB 3.36Å; L736-W739 PolarHBondContact O-N 3.28Å; W739-S741 PolarHBondContact O-N 2.85Å; W739-L746 HydrophobicContact CB-CD1 4.47Å; W739-L746 HydrophobicContact CD2-CD1 4.01Å; W739-L746 HydrophobicContact CE3-CD1 3.39Å; W739-L746 HydrophobicContact CZ3-CD1 3.89Å; W739-F749 AromaticContact CD1-CE1 3.49Å; W739-F749 VanDerWaalsContact CD1-CE1 3.49Å; W739-F749 HydrophobicContact CD2-CE1 4.48Å; W739-F749 HydrophobicContact CG-CD1 4.36Å; W739-F749 AromaticContact CG-CE1 4Å; W739-F749 HydrophobicContact CG-CE1 4Å; W739-F749 AromaticContact NE1-CE1 3.7Å; W739-W783 HydrophobicContact CH2-CH2 4.16Å; W739-W783 HydrophobicContact CH2-CZ2 4.25Å; W739-W783 AromaticContact CZ2-CH2 3.52Å; W739-W783 HydrophobicContact CZ2-CH2 3.52Å; W739-W783 AromaticContact CZ2-CZ2 3.73Å; W739-W783 HydrophobicContact CZ2-CZ2 3.73Å; W739-W783 HydrophobicContact CZ2-CZ3 4.37Å; W739-K787 HydrophobicContact CH2-CD 4.38Å; W739-K787 HydrophobicContact CH2-CG 3.64Å; W739-K787 HydrophobicContact CZ3-CB 4.4Å; W739-K787 HydrophobicContact CZ3-CD 4.42Å; W739-K787 HydrophobicContact CZ3-CG 3.68Å; W739-Y790 AromaticContact CE3-CD1 3.59Å; W739-Y790 HydrophobicContact CE3-CD1 3.59Å; W739-Y790 AromaticContact CE3-CE1 3.76Å; W739-Y790 HydrophobicContact CE3-CE1 3.76Å; W739-Y790 AromaticContact CE3-CG 3.98Å; W739-Y790 HydrophobicContact CE3-CG 3.98Å; W739-Y790 AromaticContact CZ3-CD1 3.81Å; W739-Y790 HydrophobicContact CZ3-CD1 3.81Å; W739-Y790 HydrophobicContact CZ3-CD2 4.48Å; W739-Y790 HydrophobicContact CZ3-CE1 4.42Å; W739-Y790 AromaticContact CZ3-CG 3.81Å; W739-Y790 HydrophobicContact CZ3-CG 3.81Å
740	P	82.6	Confident	80.7	Confident	34 Å²	34	54.9 Å²	54.9	22%	0.221	30%	0.298	C	S	.	.			trans	-62.8	135.1	177.4	-21	31.5	0	0	0	112.1	N742 D745 F749	P740-N742 PolarHBondContact O-N 3.41Å; P740-D745 HydrophobicContact CB-CB 3.88Å; P740-D745 HydrophobicContact CG-CB 4.2Å; P740-F749 HydrophobicContact CG-CB 4.19Å; P740-F749 HydrophobicContact CG-CD2 3.62Å; P740-F749 HydrophobicContact CG-CE2 4.14Å; P740-F749 HydrophobicContact CG-CG 3.94Å
741	S	77.1	Confident	80.6	Confident	126 Å²	126	57 Å²	57	88%	0.881	31%	0.307	S	S	*	.	S	Bend	trans	-73	-17.5	172.1	-43.8	0	0	0	0	113	W739	W739-S741 PolarHBondContact O-N 2.85Å
742	N	80.6	Confident	80.6	Confident	79 Å²	79	64.5 Å²	64.5	42%	0.422	34%	0.342	S	S	.	.	S	Bend	trans	-84.2	130	178.9	-179.2	15	0	0	0	111.2	P740 E744 D745 L746	P740-N742 PolarHBondContact O-N 3.41Å; N742-E744 PolarHBondContact O-N 2.82Å; N742-E744 PolarHBondContact OD1-N 3.46Å; N742-D745 HydrophobicContact CB-CB 4.32Å; N742-D745 WeakPolarHBondContact CB-OD2 3.48Å; N742-D745 PolarHBondContact ND2-OD2 3.09Å; N742-D745 PolarHBondContact O-N 3.29Å; N742-L746 WeakPolarHBondContact O-CB 3.18Å; N742-L746 PolarHBondContact O-N 3.47Å
743	H	75.4	Confident	80.8	Confident	91 Å²	91	64.7 Å²	64.7	42%	0.421	34%	0.342	S	S	.	.	H	α-helix	trans	-62.7	-36.9	-178.4	-176.1	-92.7	0	0	0	113.3	K747 F791	H743-K747 WeakPolarHBondContact CE1-CE 3.44Å; H743-K747 WeakPolarHBondContact ND1-CE 3.11Å; H743-K747 WeakPolarHBondContact O-CG 3.46Å; H743-K747 PolarHBondContact O-N 3.38Å; H743-F791 HydrophobicContact CB-CZ 4.38Å; H743-F791 AromaticContact CD2-CE2 3.66Å; H743-F791 AromaticContact CD2-CZ 3.49Å; H743-F791 VanDerWaalsContact CD2-CZ 3.49Å; H743-F791 WeakPolarHBondContact CD2-CZ 3.36Å
744	E	78.3	Confident	80.9	Confident	107 Å²	107	64.5 Å²	64.5	50%	0.5	34%	0.341	S	S	.	.	H	α-helix	trans	-70.9	-39.4	179.8	-65.9	-51.5	126	0	0	112.1	N742 K747	N742-E744 PolarHBondContact O-N 2.82Å; N742-E744 PolarHBondContact OD1-N 3.46Å; E744-K747 IonicContact OE1-NZ 2.72Å; E744-K747 PolarHBondContact OE1-NZ 3.38Å; E744-K747 IonicContact OE2-NZ 2.92Å; E744-K747 PolarHBondContact OE2-NZ 3.44Å
745	D	80.6	Confident	81.2	Confident	89 Å²	89	65.3 Å²	65.3	48%	0.476	35%	0.345	S	S	.	.	H	α-helix	trans	-72.7	-35.5	178.2	-58	-35.2	0	0	0	111.2	P740 N742 K747 T748 F749	P740-D745 HydrophobicContact CB-CB 3.88Å; P740-D745 HydrophobicContact CG-CB 4.2Å; N742-D745 HydrophobicContact CB-CB 4.32Å; N742-D745 WeakPolarHBondContact CB-OD2 3.48Å; N742-D745 PolarHBondContact ND2-OD2 3.09Å; N742-D745 PolarHBondContact O-N 3.29Å; D745-K747 VanDerWaalsContact C-N 3.32Å; D745-K747 PolarHBondContact O-N 2.69Å; D745-T748 PolarHBondContact O-N 2.96Å; D745-T748 PolarHBondContact O-OG1 3.2Å; D745-F749 WeakPolarHBondContact O-CB 3.38Å; D745-F749 PolarHBondContact O-N 2.97Å; D745-F749 VanDerWaalsContact O-N 3.12Å
746	L	81.1	Confident	81.8	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.021	35%	0.354	C	S	.	.	H	α-helix	trans	-63.9	-34.6	177.5	-176.3	63.8	0	0	0	112.6	W739 N742 T748 F749 K787 Y790 F791	W739-L746 HydrophobicContact CB-CD1 4.47Å; W739-L746 HydrophobicContact CD2-CD1 4.01Å; W739-L746 HydrophobicContact CE3-CD1 3.39Å; W739-L746 HydrophobicContact CZ3-CD1 3.89Å; N742-L746 WeakPolarHBondContact O-CB 3.18Å; N742-L746 PolarHBondContact O-N 3.47Å; L746-T748 VanDerWaalsContact C-N 3.27Å; L746-T748 PolarHBondContact O-N 2.87Å; L746-F749 HydrophobicContact CD1-CB 4.41Å; L746-F749 WeakPolarHBondContact O-CB 3.43Å; L746-F749 PolarHBondContact O-N 3.49Å; L746-K787 HydrophobicContact CD1-CD 4.17Å; L746-K787 HydrophobicContact CG-CD 4.3Å; L746-K787 VanDerWaalsContact O-CD 3.28Å; L746-K787 WeakPolarHBondContact O-CD 3.46Å; L746-K787 WeakPolarHBondContact O-CE 3.27Å; L746-K787 PolarHBondContact O-NZ 3.4Å; L746-Y790 HydrophobicContact CD2-CD1 4.19Å; L746-F791 HydrophobicContact CD2-CE1 4.48Å; L746-F791 HydrophobicContact CD2-CE2 3.74Å; L746-F791 HydrophobicContact CD2-CZ 3.57Å
747	K	79.3	Confident	82.5	Confident	91 Å²	91	66 Å²	66	40%	0.396	35%	0.351	S	S	.	.	H	α-helix	trans	-55.9	-39.9	-179.6	-81.3	174.1	-172.3	164.8	0	113.3	H743 E744 D745 K787	H743-K747 WeakPolarHBondContact CE1-CE 3.44Å; H743-K747 WeakPolarHBondContact ND1-CE 3.11Å; H743-K747 WeakPolarHBondContact O-CG 3.46Å; H743-K747 PolarHBondContact O-N 3.38Å; E744-K747 IonicContact OE1-NZ 2.72Å; E744-K747 PolarHBondContact OE1-NZ 3.38Å; E744-K747 IonicContact OE2-NZ 2.92Å; E744-K747 PolarHBondContact OE2-NZ 3.44Å; D745-K747 VanDerWaalsContact C-N 3.32Å; D745-K747 PolarHBondContact O-N 2.69Å; K747-K787 VanDerWaalsContact C-NZ 3.31Å; K747-K787 PolarHBondContact O-NZ 3.38Å
748	T	81.4	Confident	83.1	Confident	97 Å²	97	59.1 Å²	59.1	60%	0.595	31%	0.313	S	S	*	.	H	α-helix	trans	-99.8	-8.3	-179.7	50.9	0	0	0	0	113	D745 L746 G750	D745-T748 PolarHBondContact O-N 2.96Å; D745-T748 PolarHBondContact O-OG1 3.2Å; L746-T748 VanDerWaalsContact C-N 3.27Å; L746-T748 PolarHBondContact O-N 2.87Å; T748-G750 PolarHBondContact O-N 3.35Å
749	F	84.3	Confident	83.6	Confident	52 Å²	52	59.8 Å²	59.8	23%	0.228	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	132.5	-179.8	-173.7	-101.5	0	0	0	112	V733 S738 W739 P740 D745 L746 E751 W783 K787	V733-F749 HydrophobicContact CG2-CD1 4.44Å; V733-F749 HydrophobicContact CG2-CE1 4.07Å; S738-F749 WeakPolarHBondContact O-CZ 3.42Å; W739-F749 AromaticContact CD1-CE1 3.49Å; W739-F749 VanDerWaalsContact CD1-CE1 3.49Å; W739-F749 HydrophobicContact CD2-CE1 4.48Å; W739-F749 HydrophobicContact CG-CD1 4.36Å; W739-F749 AromaticContact CG-CE1 4Å; W739-F749 HydrophobicContact CG-CE1 4Å; W739-F749 AromaticContact NE1-CE1 3.7Å; P740-F749 HydrophobicContact CG-CB 4.19Å; P740-F749 HydrophobicContact CG-CD2 3.62Å; P740-F749 HydrophobicContact CG-CE2 4.14Å; P740-F749 HydrophobicContact CG-CG 3.94Å; D745-F749 WeakPolarHBondContact O-CB 3.38Å; D745-F749 PolarHBondContact O-N 2.97Å; D745-F749 VanDerWaalsContact O-N 3.12Å; L746-F749 HydrophobicContact CD1-CB 4.41Å; L746-F749 WeakPolarHBondContact O-CB 3.43Å; L746-F749 PolarHBondContact O-N 3.49Å; F749-E751 VanDerWaalsContact C-N 3.34Å; F749-E751 PolarHBondContact O-N 3.42Å; F749-W783 PolarHBondContact O-NE1 3.31Å; F749-W783 VanDerWaalsContact O-NE1 3.1Å; F749-K787 PolarHBondContact O-NZ 3.15Å
750	G	82.9	Confident	83.8	Confident	4 Å²	4	59.8 Å²	59.8	4%	0.041	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	3.6	167.3	0	0	0	0	0	116.9	T748 E753 I754	T748-G750 PolarHBondContact O-N 3.35Å; G750-E753 VanDerWaalsContact C-OE2 3.29Å; G750-E753 WeakPolarHBondContact CA-OE2 3.21Å; G750-I754 WeakPolarHBondContact O-CB 3.36Å; G750-I754 WeakPolarHBondContact O-CG2 3.36Å; G750-I754 PolarHBondContact O-N 3.4Å
751	E	86.9	Confident	83.9	Confident	51 Å²	51	58.4 Å²	58.4	24%	0.238	30%	0.304	C	S	.	.	H	α-helix	trans	-68.1	-35.8	-175.4	-68.3	-171.2	170.7	0	0	112.5	F749 I754 Q755 L780 K784	F749-E751 VanDerWaalsContact C-N 3.34Å; F749-E751 PolarHBondContact O-N 3.42Å; E751-I754 WeakPolarHBondContact O-CG2 3.3Å; E751-Q755 WeakPolarHBondContact O-CB 3.37Å; E751-Q755 PolarHBondContact O-N 2.97Å; E751-L780 HydrophobicContact CB-CD2 4.15Å; E751-L780 HydrophobicContact CG-CD2 4.27Å; E751-K784 WeakPolarHBondContact OE1-CE 3.28Å; E751-K784 IonicContact OE1-NZ 3.5Å; E751-K784 PolarHBondContact OE1-NZ 3.44Å
752	E	87.6	Confident	84.1	Confident	158 Å²	158	55.2 Å²	55.2	74%	0.738	28%	0.277	S	S	*	.	H	α-helix	trans	-74	-44.2	177.2	-64.5	-173.7	179.9	0	0	110.8	Q755 V756	E752-Q755 WeakPolarHBondContact O-CB 3.16Å; E752-Q755 PolarHBondContact O-N 3.22Å; E752-V756 WeakPolarHBondContact O-CG2 3.46Å; E752-V756 PolarHBondContact O-N 3.01Å
753	E	89.1	Confident	84.2	Confident	77 Å²	77	53.9 Å²	53.9	36%	0.36	27%	0.274	S	S	.	.	H	α-helix	trans	-63.6	-46.5	-178.5	-65.7	80.6	-179.6	0	0	111.6	A730 V733 G750 Q755 V756 I757	A730-E753 HydrophobicContact CB-CB 4.11Å; V733-E753 HydrophobicContact CB-CB 3.76Å; V733-E753 HydrophobicContact CB-CG 4.35Å; V733-E753 HydrophobicContact CG1-CB 3.99Å; V733-E753 HydrophobicContact CG2-CB 4.13Å; G750-E753 VanDerWaalsContact C-OE2 3.29Å; G750-E753 WeakPolarHBondContact CA-OE2 3.21Å; E753-Q755 PolarHBondContact O-N 3.37Å; E753-V756 WeakPolarHBondContact O-CB 3.37Å; E753-V756 PolarHBondContact O-N 2.78Å; E753-V756 VanDerWaalsContact O-N 3.14Å; E753-I757 WeakPolarHBondContact O-CG1 3.14Å; E753-I757 PolarHBondContact O-N 3.39Å; E753-I757 VanDerWaalsContact O-N 3.08Å
754	I	88.2	Confident	84.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.6	-32.4	178.1	-156.6	67	0	0	0	111.3	V733 L734 G750 E751 I757 F758 L779 L780 W783 L813 I816	V733-I754 HydrophobicContact CG1-CD1 4.45Å; L734-I754 HydrophobicContact CD2-CD1 4.27Å; G750-I754 WeakPolarHBondContact O-CB 3.36Å; G750-I754 WeakPolarHBondContact O-CG2 3.36Å; G750-I754 PolarHBondContact O-N 3.4Å; E751-I754 WeakPolarHBondContact O-CG2 3.3Å; I754-I757 HydrophobicContact CD1-CD1 4.33Å; I754-I757 PolarHBondContact O-N 2.89Å; I754-F758 WeakPolarHBondContact O-CB 3.47Å; I754-F758 PolarHBondContact O-N 3.36Å; I754-L779 HydrophobicContact CG1-CD1 4.41Å; I754-L779 HydrophobicContact CG1-CD2 4.37Å; I754-L779 HydrophobicContact CG2-CD2 4.43Å; I754-L780 HydrophobicContact CG2-CD2 4.38Å; I754-W783 HydrophobicContact CD1-CE3 4.17Å; I754-W783 HydrophobicContact CD1-CH2 4.45Å; I754-W783 HydrophobicContact CD1-CZ3 4.04Å; I754-W783 HydrophobicContact CG1-CD2 4.32Å; I754-W783 HydrophobicContact CG1-CE3 4.2Å; I754-W783 HydrophobicContact CG2-CG 4.33Å; I754-L813 HydrophobicContact CD1-CD2 4.15Å; I754-L813 HydrophobicContact CG1-CD2 4.24Å; I754-I816 HydrophobicContact CD1-CD1 3.98Å; I754-I816 HydrophobicContact CG1-CD1 4.16Å
755	Q	87.3	Confident	84.6	Confident	34 Å²	34	48 Å²	48	16%	0.159	25%	0.253	C	S	.	.	H	α-helix	trans	-70.6	-36.5	176.1	-170.2	61.4	68.1	0	0	112.1	E751 E752 E753 F758 N759	E751-Q755 WeakPolarHBondContact O-CB 3.37Å; E751-Q755 PolarHBondContact O-N 2.97Å; E752-Q755 WeakPolarHBondContact O-CB 3.16Å; E752-Q755 PolarHBondContact O-N 3.22Å; E753-Q755 PolarHBondContact O-N 3.37Å; Q755-F758 PolarHBondContact O-N 3.25Å; Q755-N759 PolarHBondContact NE2-OD1 2.85Å; Q755-N759 WeakPolarHBondContact O-CB 3.31Å; Q755-N759 PolarHBondContact O-N 2.93Å; Q755-N759 PolarHBondContact O-ND2 3.5Å; Q755-N759 VanDerWaalsContact O-ND2 3.15Å
756	V	89.1	Confident	83.8	Confident	61 Å²	61	47.3 Å²	47.3	37%	0.37	26%	0.255	S	S	.	.	H	α-helix	trans	-61	-47.3	172.4	170.9	0	0	0	0	110.5	A730 E752 E753 F758 N759 H760	A730-V756 HydrophobicContact CB-CB 4.04Å; A730-V756 HydrophobicContact CB-CG1 3.94Å; E752-V756 WeakPolarHBondContact O-CG2 3.46Å; E752-V756 PolarHBondContact O-N 3.01Å; E753-V756 WeakPolarHBondContact O-CB 3.37Å; E753-V756 PolarHBondContact O-N 2.78Å; E753-V756 VanDerWaalsContact O-N 3.14Å; V756-F758 VanDerWaalsContact C-N 3.34Å; V756-F758 PolarHBondContact O-N 3.09Å; V756-N759 PolarHBondContact O-N 2.94Å; V756-H760 PolarHBondContact O-N 3.48Å
757	I	89.1	Confident	82	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-59.8	-47.4	177.3	-62.6	169	0	0	0	110.1	F727 A730 V733 L734 E753 I754 H760 L761 I816	F727-I757 HydrophobicContact CE2-CB 4.24Å; F727-I757 HydrophobicContact CE2-CG1 4.4Å; F727-I757 HydrophobicContact CE2-CG2 3.76Å; F727-I757 HydrophobicContact CZ-CG2 3.98Å; A730-I757 HydrophobicContact CB-CD1 4.28Å; A730-I757 HydrophobicContact CB-CG1 3.81Å; V733-I757 HydrophobicContact CG1-CD1 4.09Å; L734-I757 HydrophobicContact CD1-CD1 4.48Å; E753-I757 WeakPolarHBondContact O-CG1 3.14Å; E753-I757 PolarHBondContact O-N 3.39Å; E753-I757 VanDerWaalsContact O-N 3.08Å; I754-I757 HydrophobicContact CD1-CD1 4.33Å; I754-I757 PolarHBondContact O-N 2.89Å; I757-H760 WeakPolarHBondContact O-CB 3.34Å; I757-H760 PolarHBondContact O-N 2.85Å; I757-L761 HydrophobicContact CG2-CD1 4.26Å; I757-L761 WeakPolarHBondContact O-CG 3.48Å; I757-L761 PolarHBondContact O-N 3.32Å; I757-L761 VanDerWaalsContact O-N 3.12Å; I757-I816 HydrophobicContact CG2-CB 4.46Å; I757-I816 HydrophobicContact CG2-CG1 4.13Å; I757-I816 HydrophobicContact CG2-CG2 3.63Å
758	F	86.4	Confident	80.5	Confident	13 Å²	13	51 Å²	51	6%	0.057	31%	0.308	C	S	.	.	H	α-helix	trans	-65.2	-40.5	-179.7	-174.9	-99.5	0	0	0	113.5	I754 Q755 V756 H760 L761 D762 T775 R776 L779 L812	I754-F758 WeakPolarHBondContact O-CB 3.47Å; I754-F758 PolarHBondContact O-N 3.36Å; Q755-F758 PolarHBondContact O-N 3.25Å; V756-F758 VanDerWaalsContact C-N 3.34Å; V756-F758 PolarHBondContact O-N 3.09Å; F758-H760 PolarHBondContact O-N 3.14Å; F758-L761 WeakPolarHBondContact O-CB 3.48Å; F758-L761 PolarHBondContact O-N 3.09Å; F758-D762 PolarHBondContact O-N 3Å; F758-T775 HydrophobicContact CZ-CG2 4.3Å; F758-R776 HydrophobicContact CD1-CG 4.28Å; F758-R776 HydrophobicContact CE1-CG 4.03Å; F758-L779 HydrophobicContact CB-CD2 3.41Å; F758-L779 VanDerWaalsContact CB-CD2 3.41Å; F758-L779 HydrophobicContact CD1-CD2 4.22Å; F758-L779 HydrophobicContact CD2-CD2 3.83Å; F758-L779 HydrophobicContact CG-CD2 3.55Å; F758-L812 HydrophobicContact CE2-CB 4.5Å; F758-L812 HydrophobicContact CE2-CD1 4.48Å; F758-L812 HydrophobicContact CE2-CD2 4.04Å
759	N	86.4	Confident	78.8	Confident	68 Å²	68	55 Å²	55	36%	0.364	32%	0.32	S	S	.	.	H	α-helix	trans	-60.3	-33.6	176.6	-73.4	-25.3	0	0	0	111.7	Q755 V756 R776	Q755-N759 PolarHBondContact NE2-OD1 2.85Å; Q755-N759 WeakPolarHBondContact O-CB 3.31Å; Q755-N759 PolarHBondContact O-N 2.93Å; Q755-N759 PolarHBondContact O-ND2 3.5Å; Q755-N759 VanDerWaalsContact O-ND2 3.15Å; V756-N759 PolarHBondContact O-N 2.94Å; N759-R776 PolarHBondContact OD1-NE 3.37Å; N759-R776 PolarHBondContact OD1-NH2 3.1Å; N759-R776 VanDerWaalsContact OD1-NH2 3.14Å
760	H	86.7	Confident	77.1	Confident	19 Å²	19	59.8 Å²	59.8	9%	0.088	35%	0.348	C	S	.	.	H	α-helix	trans	-70.2	-41.2	172.8	-179.5	67	0	0	0	111.9	W499 L501 Q723 F727 V756 I757 F758 D762 S763	W499-H760 PolarHBondContact O-CE1 2.88Å; W499-H760 PolarHBondContact O-NE2 3.4Å; W499-H760 VanDerWaalsContact O-NE2 3.16Å; L501-H760 WeakPolarHBondContact CD1-NE2 3.48Å; L501-H760 WeakPolarHBondContact CD2-CE1 3.32Å; L501-H760 WeakPolarHBondContact CD2-NE2 3.48Å; L501-H760 WeakPolarHBondContact CG-NE2 3.49Å; Q723-H760 PolarHBondContact NE2-CE1 3.27Å; Q723-H760 VanDerWaalsContact NE2-CE1 3.33Å; Q723-H760 PolarHBondContact NE2-ND1 3.4Å; F727-H760 HydrophobicContact CD2-CB 3.8Å; F727-H760 AromaticContact CD2-CD2 3.74Å; F727-H760 AromaticContact CD2-CG 3.84Å; F727-H760 HydrophobicContact CE2-CB 4.02Å; F727-H760 AromaticContact CE2-CD2 3.6Å; V756-H760 PolarHBondContact O-N 3.48Å; I757-H760 WeakPolarHBondContact O-CB 3.34Å; I757-H760 PolarHBondContact O-N 2.85Å; F758-H760 PolarHBondContact O-N 3.14Å; H760-D762 VanDerWaalsContact C-N 3.3Å; H760-D762 PolarHBondContact O-N 3.3Å; H760-S763 VanDerWaalsContact O-CB 3.3Å; H760-S763 WeakPolarHBondContact O-CB 3.22Å; H760-S763 PolarHBondContact O-N 2.88Å; H760-S763 PolarHBondContact O-OG 3.44Å
761	L	83.6	Confident	75.9	Confident	6 Å²	6	64.7 Å²	64.7	3%	0.031	37%	0.373	C	S	.	.	H	α-helix	trans	-63.1	-35.4	176.6	-66	169.1	0	0	0	113.2	I757 F758 S763 I764 I816 V819	I757-L761 HydrophobicContact CG2-CD1 4.26Å; I757-L761 WeakPolarHBondContact O-CG 3.48Å; I757-L761 PolarHBondContact O-N 3.32Å; I757-L761 VanDerWaalsContact O-N 3.12Å; F758-L761 WeakPolarHBondContact O-CB 3.48Å; F758-L761 PolarHBondContact O-N 3.09Å; L761-S763 PolarHBondContact O-N 3.44Å; L761-I764 HydrophobicContact CD2-CD1 3.66Å; L761-I764 VanDerWaalsContact O-CB 3.25Å; L761-I764 WeakPolarHBondContact O-CB 3.23Å; L761-I764 PolarHBondContact O-N 3.07Å; L761-I816 HydrophobicContact CD1-CB 3.9Å; L761-I816 HydrophobicContact CD1-CD1 4.37Å; L761-I816 HydrophobicContact CD1-CG1 3.14Å; L761-V819 HydrophobicContact CD2-CB 3.57Å; L761-V819 HydrophobicContact CD2-CG1 3.75Å; L761-V819 HydrophobicContact CD2-CG2 3.35Å
762	D	80.8	Confident	74.5	Confident	58 Å²	58	69 Å²	69	31%	0.31	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.8	175.4	-167.3	44.3	0	0	0	112.5	F758 H760 R772	F758-D762 PolarHBondContact O-N 3Å; H760-D762 VanDerWaalsContact C-N 3.3Å; H760-D762 PolarHBondContact O-N 3.3Å; D762-R772 WeakPolarHBondContact OD2-CD 3.38Å; D762-R772 IonicContact OD2-NH1 3.87Å
763	S	84.2	Confident	72.9	Confident	51 Å²	51	68.6 Å²	68.6	36%	0.357	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-17.6	171.1	80.3	0	0	0	0	113.4	W499 H760 L761	W499-S763 WeakPolarHBondContact CB-OG 3.4Å; H760-S763 VanDerWaalsContact O-CB 3.3Å; H760-S763 WeakPolarHBondContact O-CB 3.22Å; H760-S763 PolarHBondContact O-N 2.88Å; H760-S763 PolarHBondContact O-OG 3.44Å; L761-S763 PolarHBondContact O-N 3.44Å
764	I	84.1	Confident	71.6	Confident	7 Å²	7	70.9 Å²	70.9	4%	0.036	40%	0.398	C	S	.	.	S	Bend	trans	-73.3	131	177	-57.7	172.2	0	0	0	108.1	F403 L470 V472 W499 L761 S766 V819	F403-I764 HydrophobicContact CE1-CD1 4.34Å; F403-I764 HydrophobicContact CE1-CG2 4.18Å; L470-I764 HydrophobicContact CD1-CG2 3.71Å; L470-I764 HydrophobicContact CD2-CG2 3.89Å; L470-I764 HydrophobicContact CG-CG2 4.03Å; V472-I764 HydrophobicContact CG1-CD1 3.91Å; W499-I764 HydrophobicContact CB-CB 4.48Å; W499-I764 HydrophobicContact CB-CG1 3.89Å; W499-I764 HydrophobicContact CG-CG1 4.28Å; L761-I764 HydrophobicContact CD2-CD1 3.66Å; L761-I764 VanDerWaalsContact O-CB 3.25Å; L761-I764 WeakPolarHBondContact O-CB 3.23Å; L761-I764 PolarHBondContact O-N 3.07Å; I764-S766 PolarHBondContact O-N 3.33Å; I764-V819 HydrophobicContact CD1-CG2 4.03Å
765	P	77.6	Confident	70.6	Confident	69 Å²	69	72.8 Å²	72.8	45%	0.448	41%	0.409	S	S	.	.			trans	-61.4	101.7	177	-19	29.5	0	0	0	110.4	W499	W499-P765 VanDerWaalsContact CD2-CD 3.43Å; W499-P765 HydrophobicContact CD2-CG 4.05Å; W499-P765 HydrophobicContact CE3-CG 3.76Å; W499-P765 HydrophobicContact CH2-CG 3.4Å; W499-P765 VanDerWaalsContact CH2-CG 3.4Å; W499-P765 HydrophobicContact CZ2-CG 3.7Å; W499-P765 HydrophobicContact CZ3-CG 3.43Å; W499-P765 VanDerWaalsContact CZ3-CG 3.43Å
766	S	63.6	Low	69.6	Low	73 Å²	73	75.9 Å²	75.9	51%	0.51	42%	0.419	S	S	.	.			trans	-95.9	143.1	170.1	76.9	0	0	0	0	110	I764 G768	I764-S766 PolarHBondContact O-N 3.33Å; S766-G768 PolarHBondContact O-N 3.07Å
767	A	43.4	Very low	68.7	Low	119 Å²	119	76.2 Å²	76.2	98%	0.983	42%	0.424	S	S	*	.	S	Bend	trans	-75.4	76.2	168	0	0	0	0	0	109.2
768	G	47.3	Very low	68.3	Low	53 Å²	53	79.8 Å²	79.8	55%	0.546	44%	0.444	S	S	.	.			trans	162.2	82.2	178.2	0	0	0	0	0	112.4	S766 D770	S766-G768 PolarHBondContact O-N 3.07Å; G768-D770 PolarHBondContact O-N 3.31Å
769	Q	46.6	Very low	68.2	Low	181 Å²	181	79.2 Å²	79.2	85%	0.846	44%	0.441	S	S	*	.			trans	-77.8	91.4	164.1	-74.3	-171	-16.9	0	0	108.5
770	D	49	Very low	68.1	Low	153 Å²	153	78.3 Å²	78.3	82%	0.818	44%	0.436	S	S	*	.			trans	-130.1	157.8	159.9	-99.4	-25.2	0	0	0	110.6	G768 R772	G768-D770 PolarHBondContact O-N 3.31Å; D770-R772 PolarHBondContact O-N 3.12Å
771	D	56.3	Low	68	Low	107 Å²	107	81 Å²	81	57%	0.572	45%	0.453	S	S	*	.			trans	-36.8	108.3	-154.8	-150.5	-11.1	0	0	0	118	M773 E774 T775	D771-M773 VanDerWaalsContact C-N 3.29Å; D771-M773 PolarHBondContact O-N 3.28Å; D771-E774 PolarHBondContact O-N 3.08Å; D771-T775 PolarHBondContact O-N 3.48Å; D771-T775 PolarHBondContact O-OG1 2.99Å
772	R	57.5	Low	68.2	Low	143 Å²	143	81.3 Å²	81.3	54%	0.54	46%	0.455	S	S	.	.	H	α-helix	trans	-64.7	-21.4	-173.2	-75.4	-165.2	-92.3	-133.5	-4.6	115.6	D762 D770 T775 R776	D762-R772 WeakPolarHBondContact OD2-CD 3.38Å; D762-R772 IonicContact OD2-NH1 3.87Å; D770-R772 PolarHBondContact O-N 3.12Å; R772-T775 WeakPolarHBondContact CA-OG1 3.36Å; R772-T775 PolarHBondContact O-OG1 3.09Å; R772-R776 WeakPolarHBondContact O-CG 3.31Å
773	M	55.6	Low	68.5	Low	148 Å²	148	78.7 Å²	78.7	73%	0.729	44%	0.441	S	S	*	.	H	α-helix	trans	-83.5	-35.6	-177.5	-164	171.4	-146.6	0	0	112	D771 S777	D771-M773 VanDerWaalsContact C-N 3.29Å; D771-M773 PolarHBondContact O-N 3.28Å; M773-S777 PolarHBondContact O-N 3.39Å; M773-S777 PolarHBondContact O-OG 2.93Å
774	E	60.5	Low	68.7	Low	126 Å²	126	81.1 Å²	81.1	59%	0.589	45%	0.445	S	S	*	.	H	α-helix	trans	-70.7	-38.7	176.4	-164	168.9	-167.8	0	0	110.5	D771 R776 S777 N778	D771-E774 PolarHBondContact O-N 3.08Å; E774-R776 PolarHBondContact O-N 3.35Å; E774-S777 PolarHBondContact O-N 2.96Å; E774-N778 WeakPolarHBondContact O-CB 3.21Å; E774-N778 PolarHBondContact O-N 2.66Å; E774-N778 PolarHBondContact O-ND2 2.92Å; E774-N778 PolarHBondContact O-OD1 2.66Å
775	T	67.3	Low	68.7	Low	39 Å²	39	84 Å²	84	24%	0.239	46%	0.458	C	S	.	.	H	α-helix	trans	-61.1	-40.6	175.7	2.5	0	0	0	0	113.3	F758 D771 R772 N778 L779 L812	F758-T775 HydrophobicContact CZ-CG2 4.3Å; D771-T775 PolarHBondContact O-N 3.48Å; D771-T775 PolarHBondContact O-OG1 2.99Å; R772-T775 WeakPolarHBondContact CA-OG1 3.36Å; R772-T775 PolarHBondContact O-OG1 3.09Å; T775-N778 PolarHBondContact O-N 3.04Å; T775-L779 PolarHBondContact O-N 3.21Å; T775-L812 HydrophobicContact CG2-CD1 4.19Å; T775-L812 HydrophobicContact CG2-CD2 3.96Å; T775-L812 VanDerWaalsContact O-CD1 3.31Å; T775-L812 WeakPolarHBondContact O-CD1 3.35Å
776	R	67.6	Low	69	Low	99 Å²	99	81 Å²	81	37%	0.374	44%	0.438	S	S	.	.	H	α-helix	trans	-64.4	-41.7	176.2	-74.8	-175.3	173.8	129.8	2.2	112.4	F758 N759 R772 E774 N778 L779 L780	F758-R776 HydrophobicContact CD1-CG 4.28Å; F758-R776 HydrophobicContact CE1-CG 4.03Å; N759-R776 PolarHBondContact OD1-NE 3.37Å; N759-R776 PolarHBondContact OD1-NH2 3.1Å; N759-R776 VanDerWaalsContact OD1-NH2 3.14Å; R772-R776 WeakPolarHBondContact O-CG 3.31Å; E774-R776 PolarHBondContact O-N 3.35Å; R776-N778 VanDerWaalsContact C-N 3.31Å; R776-L779 PolarHBondContact O-N 3.19Å; R776-L780 PolarHBondContact O-N 3.45Å
777	S	68.5	Low	70	Confident	68 Å²	68	77.9 Å²	77.9	48%	0.476	42%	0.415	S	S	.	.	H	α-helix	trans	-65.4	-39.2	177.6	-57.1	0	0	0	0	110.7	M773 E774 L780 V781	M773-S777 PolarHBondContact O-N 3.39Å; M773-S777 PolarHBondContact O-OG 2.93Å; E774-S777 PolarHBondContact O-N 2.96Å; S777-L780 PolarHBondContact O-N 3.16Å; S777-V781 WeakPolarHBondContact O-CG2 3.46Å; S777-V781 PolarHBondContact O-N 3.33Å
778	N	81.6	Confident	71.7	Confident	76 Å²	76	77 Å²	77	41%	0.406	40%	0.398	S	S	.	.	H	α-helix	trans	-65.2	-38.4	176.4	-66.5	-19.6	0	0	0	112.6	E774 T775 R776 L780 V781 E782 L812	E774-N778 WeakPolarHBondContact O-CB 3.21Å; E774-N778 PolarHBondContact O-N 2.66Å; E774-N778 PolarHBondContact O-ND2 2.92Å; E774-N778 PolarHBondContact O-OD1 2.66Å; T775-N778 PolarHBondContact O-N 3.04Å; R776-N778 VanDerWaalsContact C-N 3.31Å; N778-L780 PolarHBondContact O-N 2.82Å; N778-V781 WeakPolarHBondContact O-CB 3.32Å; N778-V781 PolarHBondContact O-N 3.3Å; N778-E782 PolarHBondContact O-N 3.46Å; N778-L812 HydrophobicContact CB-CD1 4.14Å
779	L	83.3	Confident	73.1	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-60.7	-44.6	175.7	177.1	68.4	0	0	0	112.4	I754 F758 T775 R776 V781 E782 W783 L812 L813 I816	I754-L779 HydrophobicContact CG1-CD1 4.41Å; I754-L779 HydrophobicContact CG1-CD2 4.37Å; I754-L779 HydrophobicContact CG2-CD2 4.43Å; F758-L779 HydrophobicContact CB-CD2 3.41Å; F758-L779 VanDerWaalsContact CB-CD2 3.41Å; F758-L779 HydrophobicContact CD1-CD2 4.22Å; F758-L779 HydrophobicContact CD2-CD2 3.83Å; F758-L779 HydrophobicContact CG-CD2 3.55Å; T775-L779 PolarHBondContact O-N 3.21Å; R776-L779 PolarHBondContact O-N 3.19Å; L779-V781 PolarHBondContact O-N 3.46Å; L779-E782 PolarHBondContact O-N 3.39Å; L779-W783 WeakPolarHBondContact O-CB 3.39Å; L779-W783 PolarHBondContact O-N 3.38Å; L779-L812 HydrophobicContact CB-CD1 3.9Å; L779-L812 HydrophobicContact CD1-CB 3.91Å; L779-L813 HydrophobicContact CD1-CD2 3.79Å; L779-L813 HydrophobicContact CD1-CG 4.23Å; L779-I816 HydrophobicContact CD1-CD1 3.66Å; L779-I816 HydrophobicContact CD2-CD1 4.44Å
780	L	84.4	Confident	74.3	Confident	49 Å²	49	69.8 Å²	69.8	26%	0.257	35%	0.349	S	S	.	.	H	α-helix	trans	-66.7	-30.7	179.5	-68.2	175.7	0	0	0	111.7	E751 I754 R776 S777 N778 K784	E751-L780 HydrophobicContact CB-CD2 4.15Å; E751-L780 HydrophobicContact CG-CD2 4.27Å; I754-L780 HydrophobicContact CG2-CD2 4.38Å; R776-L780 PolarHBondContact O-N 3.45Å; S777-L780 PolarHBondContact O-N 3.16Å; N778-L780 PolarHBondContact O-N 2.82Å; L780-K784 WeakPolarHBondContact O-CB 3.41Å; L780-K784 VanDerWaalsContact O-CG 3.26Å; L780-K784 WeakPolarHBondContact O-CG 3.27Å; L780-K784 PolarHBondContact O-N 3.07Å
781	V	85.8	Confident	75.1	Confident	75 Å²	75	68.2 Å²	68.2	46%	0.455	34%	0.335	S	S	.	.	H	α-helix	trans	-67.6	-50.5	171.7	175.7	0	0	0	0	110.3	S777 N778 L779 W783 K784 E785	S777-V781 WeakPolarHBondContact O-CG2 3.46Å; S777-V781 PolarHBondContact O-N 3.33Å; N778-V781 WeakPolarHBondContact O-CB 3.32Å; N778-V781 PolarHBondContact O-N 3.3Å; L779-V781 PolarHBondContact O-N 3.46Å; V781-W783 VanDerWaalsContact C-N 3.28Å; V781-W783 PolarHBondContact O-N 3.28Å; V781-K784 PolarHBondContact O-N 3.3Å; V781-K784 VanDerWaalsContact O-N 3.17Å; V781-E785 WeakPolarHBondContact O-CG 3.4Å; V781-E785 PolarHBondContact O-N 3.47Å
782	E	87.8	Confident	75.3	Confident	14 Å²	14	67.5 Å²	67.5	7%	0.065	34%	0.339	C	S	.	.	H	α-helix	trans	-54.4	-44.2	174.8	-75.1	-176.5	-145.3	0	0	111.8	N778 L779 E785 L786 F810 P811 L812 L813	N778-E782 PolarHBondContact O-N 3.46Å; L779-E782 PolarHBondContact O-N 3.39Å; E782-E785 PolarHBondContact O-N 3.25Å; E782-L786 WeakPolarHBondContact O-CB 3.47Å; E782-L786 PolarHBondContact O-N 2.98Å; E782-F810 HydrophobicContact CB-CD1 4.13Å; E782-F810 HydrophobicContact CG-CD1 4.36Å; E782-F810 WeakPolarHBondContact O-CE1 3.46Å; E782-F810 VanDerWaalsContact OE2-CA 3.24Å; E782-F810 WeakPolarHBondContact OE2-CA 3.25Å; E782-P811 WeakPolarHBondContact OE1-CD 3.23Å; E782-P811 VanDerWaalsContact OE1-CG 3.32Å; E782-P811 WeakPolarHBondContact OE1-CG 3.33Å; E782-L812 WeakPolarHBondContact OE1-CG 3.39Å; E782-L812 PolarHBondContact OE1-N 2.82Å; E782-L812 PolarHBondContact OE2-N 3.17Å; E782-L813 HydrophobicContact CB-CD1 3.84Å; E782-L813 HydrophobicContact CB-CG 4.07Å; E782-L813 PolarHBondContact OE2-N 3.31Å
783	W	87.4	Confident	75.7	Confident	2 Å²	2	62.3 Å²	62.3	1%	0.008	32%	0.321	C	S	.	.	H	α-helix	trans	-64	-42.3	178.8	-173.3	-119.7	0	0	0	112.4	V733 L734 W739 F749 I754 L779 V781 L786 K787 L813	V733-W783 HydrophobicContact CG2-CH2 4.17Å; V733-W783 HydrophobicContact CG2-CZ2 3.68Å; L734-W783 HydrophobicContact CD2-CH2 4.31Å; L734-W783 HydrophobicContact CD2-CZ3 4.32Å; W739-W783 HydrophobicContact CH2-CH2 4.16Å; W739-W783 HydrophobicContact CH2-CZ2 4.25Å; W739-W783 AromaticContact CZ2-CH2 3.52Å; W739-W783 HydrophobicContact CZ2-CH2 3.52Å; W739-W783 AromaticContact CZ2-CZ2 3.73Å; W739-W783 HydrophobicContact CZ2-CZ2 3.73Å; W739-W783 HydrophobicContact CZ2-CZ3 4.37Å; F749-W783 PolarHBondContact O-NE1 3.31Å; F749-W783 VanDerWaalsContact O-NE1 3.1Å; I754-W783 HydrophobicContact CD1-CE3 4.17Å; I754-W783 HydrophobicContact CD1-CH2 4.45Å; I754-W783 HydrophobicContact CD1-CZ3 4.04Å; I754-W783 HydrophobicContact CG1-CD2 4.32Å; I754-W783 HydrophobicContact CG1-CE3 4.2Å; I754-W783 HydrophobicContact CG2-CG 4.33Å; L779-W783 WeakPolarHBondContact O-CB 3.39Å; L779-W783 PolarHBondContact O-N 3.38Å; V781-W783 VanDerWaalsContact C-N 3.28Å; V781-W783 PolarHBondContact O-N 3.28Å; W783-L786 HydrophobicContact CE3-CD2 3.95Å; W783-L786 HydrophobicContact CZ3-CD2 3.76Å; W783-L786 PolarHBondContact O-N 3.13Å; W783-K787 WeakPolarHBondContact O-CG 3.36Å; W783-K787 PolarHBondContact O-N 3.23Å; W783-K787 VanDerWaalsContact O-N 3.14Å; W783-L813 HydrophobicContact CE3-CD1 4.35Å; W783-L813 HydrophobicContact CE3-CD2 3.74Å; W783-L813 HydrophobicContact CZ3-CD2 4.28Å
784	K	86.5	Confident	75.8	Confident	103 Å²	103	63 Å²	63	45%	0.448	33%	0.327	S	S	.	.	H	α-helix	trans	-64.7	-42.6	175.4	-76.7	171.7	-177	175.8	0	111.7	E751 L780 V781 K787 V788	E751-K784 WeakPolarHBondContact OE1-CE 3.28Å; E751-K784 IonicContact OE1-NZ 3.5Å; E751-K784 PolarHBondContact OE1-NZ 3.44Å; L780-K784 WeakPolarHBondContact O-CB 3.41Å; L780-K784 VanDerWaalsContact O-CG 3.26Å; L780-K784 WeakPolarHBondContact O-CG 3.27Å; L780-K784 PolarHBondContact O-N 3.07Å; V781-K784 PolarHBondContact O-N 3.3Å; V781-K784 VanDerWaalsContact O-N 3.17Å; K784-K787 PolarHBondContact O-N 3.43Å; K784-V788 WeakPolarHBondContact O-CG2 3.5Å; K784-V788 PolarHBondContact O-N 3.12Å; K784-V788 VanDerWaalsContact O-N 3.14Å
785	E	84.7	Confident	75.8	Confident	68 Å²	68	59.2 Å²	59.2	32%	0.318	32%	0.315	S	S	.	.	H	α-helix	trans	-62.7	-41.3	176.5	-75.3	-170.2	-160.5	0	0	112.5	V781 E782 K787 V788 D789 R809 F810	V781-E785 WeakPolarHBondContact O-CG 3.4Å; V781-E785 PolarHBondContact O-N 3.47Å; E782-E785 PolarHBondContact O-N 3.25Å; E785-K787 VanDerWaalsContact C-N 3.31Å; E785-K787 PolarHBondContact O-N 2.94Å; E785-V788 PolarHBondContact O-N 3.22Å; E785-D789 PolarHBondContact O-N 3.33Å; E785-D789 VanDerWaalsContact O-N 3.08Å; E785-R809 IonicContact OE2-CZ 3.78Å; E785-R809 VanDerWaalsContact OE2-CZ 3.29Å; E785-R809 IonicContact OE2-NE 2.95Å; E785-R809 PolarHBondContact OE2-NE 3.44Å; E785-R809 IonicContact OE2-NH2 3.29Å; E785-R809 PolarHBondContact OE2-NH2 3.32Å; E785-F810 HydrophobicContact CB-CE1 3.88Å; E785-F810 HydrophobicContact CB-CZ 4.42Å
786	L	84.8	Confident	75.6	Confident	5 Å²	5	59.4 Å²	59.4	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-59.5	-43.2	175.1	-173.9	73	0	0	0	111.7	E782 W783 V788 D789 Y790 I799 I803 F810 L813	E782-L786 WeakPolarHBondContact O-CB 3.47Å; E782-L786 PolarHBondContact O-N 2.98Å; W783-L786 HydrophobicContact CE3-CD2 3.95Å; W783-L786 HydrophobicContact CZ3-CD2 3.76Å; W783-L786 PolarHBondContact O-N 3.13Å; L786-V788 VanDerWaalsContact C-N 3.28Å; L786-V788 PolarHBondContact O-N 3.45Å; L786-D789 PolarHBondContact O-N 3.05Å; L786-Y790 PolarHBondContact O-N 3.37Å; L786-I799 HydrophobicContact CD1-CG2 4.17Å; L786-I799 HydrophobicContact CD2-CG2 4.15Å; L786-I803 HydrophobicContact CD1-CD1 3.79Å; L786-I803 HydrophobicContact CD1-CG1 3.59Å; L786-I803 HydrophobicContact CD2-CD1 3.8Å; L786-I803 HydrophobicContact CG-CD1 4.45Å; L786-F810 HydrophobicContact CB-CE1 4.23Å; L786-F810 HydrophobicContact CD1-CZ 4.39Å; L786-L813 HydrophobicContact CB-CD1 4.16Å; L786-L813 HydrophobicContact CD2-CD1 4.15Å
787	K	83.4	Confident	75.4	Confident	7 Å²	7	61.6 Å²	61.6	3%	0.03	33%	0.325	C	S	.	.	H	α-helix	trans	-65	-31.1	178.7	-70.5	-172.3	-66.1	-178.1	0	112.9	W739 L746 K747 F749 W783 K784 E785 F791	W739-K787 HydrophobicContact CH2-CD 4.38Å; W739-K787 HydrophobicContact CH2-CG 3.64Å; W739-K787 HydrophobicContact CZ3-CB 4.4Å; W739-K787 HydrophobicContact CZ3-CD 4.42Å; W739-K787 HydrophobicContact CZ3-CG 3.68Å; L746-K787 HydrophobicContact CD1-CD 4.17Å; L746-K787 HydrophobicContact CG-CD 4.3Å; L746-K787 VanDerWaalsContact O-CD 3.28Å; L746-K787 WeakPolarHBondContact O-CD 3.46Å; L746-K787 WeakPolarHBondContact O-CE 3.27Å; L746-K787 PolarHBondContact O-NZ 3.4Å; K747-K787 VanDerWaalsContact C-NZ 3.31Å; K747-K787 PolarHBondContact O-NZ 3.38Å; F749-K787 PolarHBondContact O-NZ 3.15Å; W783-K787 WeakPolarHBondContact O-CG 3.36Å; W783-K787 PolarHBondContact O-N 3.23Å; W783-K787 VanDerWaalsContact O-N 3.14Å; K784-K787 PolarHBondContact O-N 3.43Å; E785-K787 VanDerWaalsContact C-N 3.31Å; E785-K787 PolarHBondContact O-N 2.94Å; K787-F791 WeakPolarHBondContact O-CD2 3.36Å
788	V	80.4	Confident	75.4	Confident	102 Å²	102	61.6 Å²	61.6	62%	0.618	32%	0.32	S	S	*	.	H	α-helix	trans	-68.6	-44	172.1	173.8	0	0	0	0	110.6	K784 E785 L786 Y790	K784-V788 WeakPolarHBondContact O-CG2 3.5Å; K784-V788 PolarHBondContact O-N 3.12Å; K784-V788 VanDerWaalsContact O-N 3.14Å; E785-V788 PolarHBondContact O-N 3.22Å; L786-V788 VanDerWaalsContact C-N 3.28Å; L786-V788 PolarHBondContact O-N 3.45Å; V788-Y790 VanDerWaalsContact C-N 3.28Å; V788-Y790 PolarHBondContact O-N 3.07Å
789	D	76.2	Confident	74.8	Confident	29 Å²	29	58.3 Å²	58.3	16%	0.155	30%	0.302	C	S	.	.	H	α-helix	trans	-67.6	-28.4	179.5	-70.1	-2.8	0	0	0	112.3	E785 L786 F791 S792 H802 R809	E785-D789 PolarHBondContact O-N 3.33Å; E785-D789 VanDerWaalsContact O-N 3.08Å; L786-D789 PolarHBondContact O-N 3.05Å; D789-F791 VanDerWaalsContact C-N 3.27Å; D789-F791 PolarHBondContact O-N 3.1Å; D789-S792 PolarHBondContact O-N 3.24Å; D789-S792 VanDerWaalsContact O-N 3.12Å; D789-S792 PolarHBondContact O-OG 2.91Å; D789-H802 IonicContact OD2-CD2 3.05Å; D789-H802 IonicContact OD2-CE1 2.89Å; D789-H802 IonicContact OD2-NE2 3.87Å; D789-H802 PolarHBondContact OD2-NE2 3.39Å; D789-R809 IonicContact OD1-NH1 3.71Å; D789-R809 PolarHBondContact OD1-NH1 3.16Å; D789-R809 IonicContact OD1-NH2 3.94Å; D789-R809 IonicContact OD2-CZ 2.97Å; D789-R809 IonicContact OD2-NH1 3.85Å; D789-R809 PolarHBondContact OD2-NH1 2.75Å; D789-R809 IonicContact OD2-NH2 3.58Å
790	Y	72.4	Confident	74.2	Confident	53 Å²	53	59.8 Å²	59.8	21%	0.208	31%	0.31	C	S	.	.	H	α-helix	trans	-55.6	-33.8	-179.4	173.9	-119.8	0	0	0	114.1	L736 W739 L746 L786 V788 S792 M793 I799	L736-Y790 HydrophobicContact CD1-CD2 4.46Å; L736-Y790 HydrophobicContact CD1-CE2 3.77Å; L736-Y790 HydrophobicContact CD2-CE2 4.3Å; W739-Y790 AromaticContact CE3-CD1 3.59Å; W739-Y790 HydrophobicContact CE3-CD1 3.59Å; W739-Y790 AromaticContact CE3-CE1 3.76Å; W739-Y790 HydrophobicContact CE3-CE1 3.76Å; W739-Y790 AromaticContact CE3-CG 3.98Å; W739-Y790 HydrophobicContact CE3-CG 3.98Å; W739-Y790 AromaticContact CZ3-CD1 3.81Å; W739-Y790 HydrophobicContact CZ3-CD1 3.81Å; W739-Y790 HydrophobicContact CZ3-CD2 4.48Å; W739-Y790 HydrophobicContact CZ3-CE1 4.42Å; W739-Y790 AromaticContact CZ3-CG 3.81Å; W739-Y790 HydrophobicContact CZ3-CG 3.81Å; L746-Y790 HydrophobicContact CD2-CD1 4.19Å; L786-Y790 PolarHBondContact O-N 3.37Å; V788-Y790 VanDerWaalsContact C-N 3.28Å; V788-Y790 PolarHBondContact O-N 3.07Å; Y790-S792 PolarHBondContact O-N 3.32Å; Y790-M793 PolarHBondContact O-N 3.05Å; Y790-I799 HydrophobicContact CD2-CD1 3.52Å; Y790-I799 HydrophobicContact CD2-CG1 4.32Å; Y790-I799 HydrophobicContact CE2-CD1 4.03Å; Y790-I799 HydrophobicContact CG-CD1 4.41Å
791	F	64.4	Low	73.6	Confident	120 Å²	120	61.5 Å²	61.5	53%	0.526	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-10.2	179.3	-73.5	-78.1	0	0	0	114.2	H743 L746 K787 D789	H743-F791 HydrophobicContact CB-CZ 4.38Å; H743-F791 AromaticContact CD2-CE2 3.66Å; H743-F791 AromaticContact CD2-CZ 3.49Å; H743-F791 VanDerWaalsContact CD2-CZ 3.49Å; H743-F791 WeakPolarHBondContact CD2-CZ 3.36Å; L746-F791 HydrophobicContact CD2-CE1 4.48Å; L746-F791 HydrophobicContact CD2-CE2 3.74Å; L746-F791 HydrophobicContact CD2-CZ 3.57Å; K787-F791 WeakPolarHBondContact O-CD2 3.36Å; D789-F791 VanDerWaalsContact C-N 3.27Å; D789-F791 PolarHBondContact O-N 3.1Å
792	S	61.3	Low	73.1	Confident	92 Å²	92	58.9 Å²	58.9	64%	0.643	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-0.6	174.4	69.2	0	0	0	0	114.8	D789 Y790	D789-S792 PolarHBondContact O-N 3.24Å; D789-S792 VanDerWaalsContact O-N 3.12Å; D789-S792 PolarHBondContact O-OG 2.91Å; Y790-S792 PolarHBondContact O-N 3.32Å
793	M	64.9	Low	72.6	Confident	33 Å²	33	58.5 Å²	58.5	16%	0.163	30%	0.299	C	S	.	.			trans	-122.4	147.9	-169.1	-59	-167.4	-177.9	0	0	112.9	Y790 D798 I799 H802	Y790-M793 PolarHBondContact O-N 3.05Å; M793-D798 HydrophobicContact CB-CB 4.35Å; M793-D798 HydrophobicContact SD-CB 4.26Å; M793-I799 HydrophobicContact SD-CG1 3.99Å; M793-H802 HydrophobicContact CE-CB 3.55Å; M793-H802 WeakPolarHBondContact CE-ND1 3.47Å; M793-H802 HydrophobicContact SD-CB 3.95Å
794	N	58.3	Low	72	Confident	162 Å²	162	59 Å²	59	87%	0.866	30%	0.303	S	S	*	.			trans	-113.2	-5.2	-172.5	-66.8	-20.1	0	0	0	113.8
795	S	61.3	Low	71.7	Confident	48 Å²	48	62.5 Å²	62.5	34%	0.336	31%	0.313	S	S	.	.			trans	-148.7	153	-177	-173.4	0	0	0	0	115.2	L736 K797 D798 I799	L736-S795 VanDerWaalsContact CD1-C 3.4Å; S795-K797 VanDerWaalsContact C-N 3.25Å; S795-K797 PolarHBondContact O-N 3.49Å; S795-K797 PolarHBondContact OG-N 3.02Å; S795-D798 VanDerWaalsContact CB-OD2 3.31Å; S795-D798 WeakPolarHBondContact CB-OD2 3.5Å; S795-D798 PolarHBondContact N-OD2 3.02Å; S795-D798 VanDerWaalsContact O-CB 3.31Å; S795-D798 WeakPolarHBondContact O-CB 3.44Å; S795-D798 PolarHBondContact O-N 3.4Å; S795-I799 PolarHBondContact O-N 2.82Å
796	F	62	Low	71.5	Confident	43 Å²	43	64.5 Å²	64.5	19%	0.189	32%	0.319	C	S	.	.	H	α-helix	trans	-60.3	-35.8	173.1	179.7	-121.6	0	0	0	112	L649 L734 L736 D798 I799 L800	L649-F796 HydrophobicContact CD1-CE1 4.35Å; L649-F796 HydrophobicContact CD2-CE1 4.43Å; L734-F796 HydrophobicContact CB-CE2 4.1Å; L734-F796 HydrophobicContact CB-CZ 4.25Å; L734-F796 WeakPolarHBondContact O-CD2 3.46Å; L734-F796 WeakPolarHBondContact O-CE2 3.46Å; L736-F796 HydrophobicContact CD1-CB 3.85Å; L736-F796 HydrophobicContact CD2-CD2 4.4Å; L736-F796 HydrophobicContact CG-CB 3.83Å; L736-F796 HydrophobicContact CG-CD2 3.96Å; L736-F796 HydrophobicContact CG-CG 4.36Å; F796-D798 PolarHBondContact O-N 3.26Å; F796-I799 PolarHBondContact O-N 2.91Å; F796-L800 HydrophobicContact CD1-CD1 4Å; F796-L800 HydrophobicContact CD1-CG 4.45Å; F796-L800 HydrophobicContact CE1-CD1 3.64Å; F796-L800 HydrophobicContact CE1-CD2 4.38Å; F796-L800 HydrophobicContact CE1-CG 4.13Å; F796-L800 HydrophobicContact CE2-CD2 4.1Å; F796-L800 HydrophobicContact CE2-CG 4.17Å; F796-L800 HydrophobicContact CZ-CD1 3.97Å; F796-L800 HydrophobicContact CZ-CD2 3.84Å; F796-L800 HydrophobicContact CZ-CG 3.99Å; F796-L800 WeakPolarHBondContact O-CG 3.46Å; F796-L800 PolarHBondContact O-N 3.41Å
797	K	64.9	Low	71.1	Confident	144 Å²	144	67.4 Å²	67.4	63%	0.626	33%	0.331	S	S	*	.	H	α-helix	trans	-61.6	-35.7	173.6	-69	-176.8	178.6	179.1	0	111.6	S795 L800 I801	S795-K797 VanDerWaalsContact C-N 3.25Å; S795-K797 PolarHBondContact O-N 3.49Å; S795-K797 PolarHBondContact OG-N 3.02Å; K797-L800 PolarHBondContact O-N 3.02Å; K797-I801 WeakPolarHBondContact O-CB 3.33Å; K797-I801 WeakPolarHBondContact O-CD1 3.31Å; K797-I801 WeakPolarHBondContact O-CG1 3.34Å; K797-I801 PolarHBondContact O-N 2.83Å
798	D	67.1	Low	71	Confident	69 Å²	69	76.1 Å²	76.1	37%	0.369	37%	0.372	S	S	.	.	H	α-helix	trans	-69	-38	179.3	-58.3	-32	0	0	0	111.2	M793 S795 F796 I801 H802	M793-D798 HydrophobicContact CB-CB 4.35Å; M793-D798 HydrophobicContact SD-CB 4.26Å; S795-D798 VanDerWaalsContact CB-OD2 3.31Å; S795-D798 WeakPolarHBondContact CB-OD2 3.5Å; S795-D798 PolarHBondContact N-OD2 3.02Å; S795-D798 VanDerWaalsContact O-CB 3.31Å; S795-D798 WeakPolarHBondContact O-CB 3.44Å; S795-D798 PolarHBondContact O-N 3.4Å; F796-D798 PolarHBondContact O-N 3.26Å; D798-I801 PolarHBondContact O-N 2.95Å; D798-H802 VanDerWaalsContact O-CB 3.25Å; D798-H802 WeakPolarHBondContact O-CB 3.41Å; D798-H802 PolarHBondContact O-N 3.48Å
799	I	69.6	Low	71	Confident	7 Å²	7	76.2 Å²	76.2	4%	0.036	36%	0.361	C	S	.	.	H	α-helix	trans	-66.3	-44	174.7	-69.2	-178.4	0	0	0	111.7	L736 L786 Y790 M793 S795 F796 I801 H802 I803	L736-I799 HydrophobicContact CD1-CD1 3.4Å; L736-I799 VanDerWaalsContact CD1-CD1 3.4Å; L736-I799 HydrophobicContact CD1-CG1 4.16Å; L736-I799 HydrophobicContact CD2-CD1 3.29Å; L736-I799 HydrophobicContact CG-CD1 3.9Å; L786-I799 HydrophobicContact CD1-CG2 4.17Å; L786-I799 HydrophobicContact CD2-CG2 4.15Å; Y790-I799 HydrophobicContact CD2-CD1 3.52Å; Y790-I799 HydrophobicContact CD2-CG1 4.32Å; Y790-I799 HydrophobicContact CE2-CD1 4.03Å; Y790-I799 HydrophobicContact CG-CD1 4.41Å; M793-I799 HydrophobicContact SD-CG1 3.99Å; S795-I799 PolarHBondContact O-N 2.82Å; F796-I799 PolarHBondContact O-N 2.91Å; I799-I801 VanDerWaalsContact C-N 3.31Å; I799-I801 PolarHBondContact O-N 3.45Å; I799-H802 WeakPolarHBondContact O-CB 3.27Å; I799-H802 PolarHBondContact O-N 2.85Å; I799-H802 VanDerWaalsContact O-N 3.16Å; I799-I803 HydrophobicContact CG2-CD1 3.75Å; I799-I803 HydrophobicContact CG2-CG1 4.45Å; I799-I803 WeakPolarHBondContact O-CG1 3.45Å; I799-I803 PolarHBondContact O-N 2.89Å
800	L	70.6	Confident	71.4	Confident	31 Å²	31	74.8 Å²	74.8	16%	0.162	35%	0.354	C	S	.	.	H	α-helix	trans	-59.7	-45	175.6	-68.4	177.1	0	0	0	111	F796 K797 H802 C804 L817	F796-L800 HydrophobicContact CD1-CD1 4Å; F796-L800 HydrophobicContact CD1-CG 4.45Å; F796-L800 HydrophobicContact CE1-CD1 3.64Å; F796-L800 HydrophobicContact CE1-CD2 4.38Å; F796-L800 HydrophobicContact CE1-CG 4.13Å; F796-L800 HydrophobicContact CE2-CD2 4.1Å; F796-L800 HydrophobicContact CE2-CG 4.17Å; F796-L800 HydrophobicContact CZ-CD1 3.97Å; F796-L800 HydrophobicContact CZ-CD2 3.84Å; F796-L800 HydrophobicContact CZ-CG 3.99Å; F796-L800 WeakPolarHBondContact O-CG 3.46Å; F796-L800 PolarHBondContact O-N 3.41Å; K797-L800 PolarHBondContact O-N 3.02Å; L800-H802 VanDerWaalsContact C-N 3.32Å; L800-C804 WeakPolarHBondContact O-CB 3.21Å; L800-C804 PolarHBondContact O-N 2.85Å; L800-C804 PolarHBondContact O-SG 3.32Å; L800-L817 HydrophobicContact CD2-CD1 3.54Å; L800-L817 HydrophobicContact CD2-CD2 3.39Å; L800-L817 HydrophobicContact CD2-CG 4.03Å
801	I	71.8	Confident	72	Confident	85 Å²	85	75.3 Å²	75.3	44%	0.436	36%	0.364	S	S	.	.	H	α-helix	trans	-64.3	-38.8	176	-68	164.2	0	0	0	110.5	K797 D798 I799 C804 R805	K797-I801 WeakPolarHBondContact O-CB 3.33Å; K797-I801 WeakPolarHBondContact O-CD1 3.31Å; K797-I801 WeakPolarHBondContact O-CG1 3.34Å; K797-I801 PolarHBondContact O-N 2.83Å; D798-I801 PolarHBondContact O-N 2.95Å; I799-I801 VanDerWaalsContact C-N 3.31Å; I799-I801 PolarHBondContact O-N 3.45Å; I801-C804 PolarHBondContact O-N 3.43Å; I801-R805 WeakPolarHBondContact O-CB 3.37Å; I801-R805 PolarHBondContact O-N 2.89Å
802	H	75.9	Confident	73	Confident	20 Å²	20	70.7 Å²	70.7	9%	0.093	34%	0.344	C	S	.	.	H	α-helix	trans	-64	-50.3	178.7	-172.5	72	0	0	0	112	D789 M793 D798 I799 L800 C804 R805 Y806 F810	D789-H802 IonicContact OD2-CD2 3.05Å; D789-H802 IonicContact OD2-CE1 2.89Å; D789-H802 IonicContact OD2-NE2 3.87Å; D789-H802 PolarHBondContact OD2-NE2 3.39Å; M793-H802 HydrophobicContact CE-CB 3.55Å; M793-H802 WeakPolarHBondContact CE-ND1 3.47Å; M793-H802 HydrophobicContact SD-CB 3.95Å; D798-H802 VanDerWaalsContact O-CB 3.25Å; D798-H802 WeakPolarHBondContact O-CB 3.41Å; D798-H802 PolarHBondContact O-N 3.48Å; I799-H802 WeakPolarHBondContact O-CB 3.27Å; I799-H802 PolarHBondContact O-N 2.85Å; I799-H802 VanDerWaalsContact O-N 3.16Å; L800-H802 VanDerWaalsContact C-N 3.32Å; H802-C804 VanDerWaalsContact C-N 3.3Å; H802-C804 PolarHBondContact O-N 3.37Å; H802-R805 PolarHBondContact O-N 3.25Å; H802-R805 VanDerWaalsContact O-N 3.11Å; H802-Y806 AromaticContact CE1-CD2 3.29Å; H802-Y806 WeakPolarHBondContact CE1-CD2 3.43Å; H802-Y806 AromaticContact CE1-CE2 3.24Å; H802-Y806 WeakPolarHBondContact CE1-CE2 3.42Å; H802-Y806 AromaticContact CG-CD2 3.87Å; H802-Y806 AromaticContact ND1-CD2 3.25Å; H802-Y806 WeakPolarHBondContact ND1-CD2 3.27Å; H802-Y806 AromaticContact ND1-CE2 3.16Å; H802-Y806 WeakPolarHBondContact ND1-CE2 3.47Å; H802-Y806 AromaticContact NE2-CD2 3.89Å; H802-Y806 VanDerWaalsContact O-CD2 3.29Å; H802-Y806 WeakPolarHBondContact O-CD2 3.3Å; H802-Y806 PolarHBondContact O-N 3.47Å; H802-F810 AromaticContact CD2-CE2 3.85Å; H802-F810 AromaticContact NE2-CE2 3.77Å
803	I	77.4	Confident	74.2	Confident	5 Å²	5	66.5 Å²	66.5	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-61.2	-41.9	177	-65.9	162.9	0	0	0	110.3	L786 I799 R805 Y806 K807 F810 L813 N814 L817	L786-I803 HydrophobicContact CD1-CD1 3.79Å; L786-I803 HydrophobicContact CD1-CG1 3.59Å; L786-I803 HydrophobicContact CD2-CD1 3.8Å; L786-I803 HydrophobicContact CG-CD1 4.45Å; I799-I803 HydrophobicContact CG2-CD1 3.75Å; I799-I803 HydrophobicContact CG2-CG1 4.45Å; I799-I803 WeakPolarHBondContact O-CG1 3.45Å; I799-I803 PolarHBondContact O-N 2.89Å; I803-R805 VanDerWaalsContact C-N 3.35Å; I803-R805 PolarHBondContact O-N 3.46Å; I803-Y806 CarbonylContact O-C 3.1Å; I803-Y806 PolarHBondContact O-N 2.86Å; I803-K807 PolarHBondContact O-N 3.26Å; I803-K807 VanDerWaalsContact O-N 3.14Å; I803-F810 HydrophobicContact CG1-CD2 4.48Å; I803-F810 HydrophobicContact CG2-CB 4.01Å; I803-L813 HydrophobicContact CG2-CB 4.17Å; I803-N814 HydrophobicContact CG2-CB 3.9Å; I803-L817 HydrophobicContact CB-CD1 3.81Å; I803-L817 HydrophobicContact CD1-CD1 3.62Å; I803-L817 HydrophobicContact CG1-CD1 4.33Å; I803-L817 HydrophobicContact CG2-CD1 3.68Å
804	C	74.9	Confident	75.1	Confident	14 Å²	14	65.7 Å²	65.7	10%	0.095	31%	0.311	C	S	.	.	H	α-helix	trans	-67.9	-31.3	176.2	-66.5	0	0	0	0	113	L800 I801 H802 K807	L800-C804 WeakPolarHBondContact O-CB 3.21Å; L800-C804 PolarHBondContact O-N 2.85Å; L800-C804 PolarHBondContact O-SG 3.32Å; I801-C804 PolarHBondContact O-N 3.43Å; H802-C804 VanDerWaalsContact C-N 3.3Å; H802-C804 PolarHBondContact O-N 3.37Å; C804-K807 WeakPolarHBondContact O-CD 2.99Å; C804-K807 WeakPolarHBondContact O-CE 3.38Å; C804-K807 WeakPolarHBondContact O-CG 3.49Å
805	R	80.1	Confident	76.4	Confident	175 Å²	175	61 Å²	61	66%	0.66	28%	0.284	S	S	*	.	H	α-helix	trans	-75.9	-37.7	177.5	-177	176.4	-67.5	156.8	0.9	111.4	I801 H802 I803	I801-R805 WeakPolarHBondContact O-CB 3.37Å; I801-R805 PolarHBondContact O-N 2.89Å; H802-R805 PolarHBondContact O-N 3.25Å; H802-R805 VanDerWaalsContact O-N 3.11Å; I803-R805 VanDerWaalsContact C-N 3.35Å; I803-R805 PolarHBondContact O-N 3.46Å
806	Y	79.1	Confident	77.6	Confident	110 Å²	110	58.7 Å²	58.7	43%	0.431	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	42.8	-179.4	-59.9	-76.1	0	0	0	111.9	H802 I803 Q808 R809 F810	H802-Y806 AromaticContact CE1-CD2 3.29Å; H802-Y806 WeakPolarHBondContact CE1-CD2 3.43Å; H802-Y806 AromaticContact CE1-CE2 3.24Å; H802-Y806 WeakPolarHBondContact CE1-CE2 3.42Å; H802-Y806 AromaticContact CG-CD2 3.87Å; H802-Y806 AromaticContact ND1-CD2 3.25Å; H802-Y806 WeakPolarHBondContact ND1-CD2 3.27Å; H802-Y806 AromaticContact ND1-CE2 3.16Å; H802-Y806 WeakPolarHBondContact ND1-CE2 3.47Å; H802-Y806 AromaticContact NE2-CD2 3.89Å; H802-Y806 VanDerWaalsContact O-CD2 3.29Å; H802-Y806 WeakPolarHBondContact O-CD2 3.3Å; H802-Y806 PolarHBondContact O-N 3.47Å; I803-Y806 CarbonylContact O-C 3.1Å; I803-Y806 PolarHBondContact O-N 2.86Å; Y806-Q808 PolarHBondContact O-N 3.11Å; Y806-Q808 VanDerWaalsContact O-N 3.07Å; Y806-R809 WeakPolarHBondContact O-CA 3.17Å; Y806-R809 WeakPolarHBondContact O-CB 3.46Å; Y806-R809 PolarHBondContact O-N 2.71Å; Y806-F810 PolarHBondContact O-N 2.77Å
807	K	77.3	Confident	78.7	Confident	67 Å²	67	57 Å²	57	29%	0.291	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-31.9	178.8	-78.5	162.3	178.1	178.2	0	114.7	D430 I803 C804 R809 F810 P811 N814	D430-K807 WeakPolarHBondContact OD1-CE 3.07Å; D430-K807 IonicContact OD1-NZ 2.75Å; D430-K807 PolarHBondContact OD1-NZ 3.21Å; D430-K807 IonicContact OD2-NZ 3.96Å; D430-K807 PolarHBondContact OD2-NZ 2.75Å; I803-K807 PolarHBondContact O-N 3.26Å; I803-K807 VanDerWaalsContact O-N 3.14Å; C804-K807 WeakPolarHBondContact O-CD 2.99Å; C804-K807 WeakPolarHBondContact O-CE 3.38Å; C804-K807 WeakPolarHBondContact O-CG 3.49Å; K807-R809 VanDerWaalsContact C-N 3.31Å; K807-F810 CarbonylContact O-C 3.59Å; K807-P811 WeakPolarHBondContact O-CA 2.92Å; K807-N814 HydrophobicContact CG-CB 4.31Å
808	Q	80.7	Confident	79.7	Confident	189 Å²	189	52.6 Å²	52.6	88%	0.883	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-28.1	177.7	-64.2	-67.1	-15.2	0	0	112.2	Y806	Y806-Q808 PolarHBondContact O-N 3.11Å; Y806-Q808 VanDerWaalsContact O-N 3.07Å
809	R	81.5	Confident	80.7	Confident	104 Å²	104	49.3 Å²	49.3	39%	0.392	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-31.6	177	-172.3	177	177.1	-159.6	-7.7	112	E785 D789 Y806 K807 P811	E785-R809 IonicContact OE2-CZ 3.78Å; E785-R809 VanDerWaalsContact OE2-CZ 3.29Å; E785-R809 IonicContact OE2-NE 2.95Å; E785-R809 PolarHBondContact OE2-NE 3.44Å; E785-R809 IonicContact OE2-NH2 3.29Å; E785-R809 PolarHBondContact OE2-NH2 3.32Å; D789-R809 IonicContact OD1-NH1 3.71Å; D789-R809 PolarHBondContact OD1-NH1 3.16Å; D789-R809 IonicContact OD1-NH2 3.94Å; D789-R809 IonicContact OD2-CZ 2.97Å; D789-R809 IonicContact OD2-NH1 3.85Å; D789-R809 PolarHBondContact OD2-NH1 2.75Å; D789-R809 IonicContact OD2-NH2 3.58Å; Y806-R809 WeakPolarHBondContact O-CA 3.17Å; Y806-R809 WeakPolarHBondContact O-CB 3.46Å; Y806-R809 PolarHBondContact O-N 2.71Å; K807-R809 VanDerWaalsContact C-N 3.31Å; R809-P811 WeakPolarHBondContact O-CD 3.29Å
810	F	84.5	Confident	81.6	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.229	C	C	.	.			trans	-123.3	54.4	-177	-56.1	-64.9	0	0	0	113	E782 E785 L786 H802 I803 Y806 K807 L813 N814	E782-F810 HydrophobicContact CB-CD1 4.13Å; E782-F810 HydrophobicContact CG-CD1 4.36Å; E782-F810 WeakPolarHBondContact O-CE1 3.46Å; E782-F810 VanDerWaalsContact OE2-CA 3.24Å; E782-F810 WeakPolarHBondContact OE2-CA 3.25Å; E785-F810 HydrophobicContact CB-CE1 3.88Å; E785-F810 HydrophobicContact CB-CZ 4.42Å; L786-F810 HydrophobicContact CB-CE1 4.23Å; L786-F810 HydrophobicContact CD1-CZ 4.39Å; H802-F810 AromaticContact CD2-CE2 3.85Å; H802-F810 AromaticContact NE2-CE2 3.77Å; I803-F810 HydrophobicContact CG1-CD2 4.48Å; I803-F810 HydrophobicContact CG2-CB 4.01Å; Y806-F810 PolarHBondContact O-N 2.77Å; K807-F810 CarbonylContact O-C 3.59Å; F810-L813 HydrophobicContact CB-CB 4.22Å; F810-L813 HydrophobicContact CB-CD1 4.38Å; F810-L813 HydrophobicContact CD1-CD1 3.91Å; F810-L813 HydrophobicContact CG-CD1 4.44Å; F810-N814 WeakPolarHBondContact O-CB 3.33Å; F810-N814 PolarHBondContact O-N 2.96Å
811	P	84.9	Confident	82.3	Confident	64 Å²	64	51 Å²	51	42%	0.416	23%	0.231	S	C	.	.	H	α-helix	trans	-63.6	-41.3	-174.7	24.8	-34.2	0	0	0	113.2	E782 K807 R809 N814 Q815	E782-P811 WeakPolarHBondContact OE1-CD 3.23Å; E782-P811 VanDerWaalsContact OE1-CG 3.32Å; E782-P811 WeakPolarHBondContact OE1-CG 3.33Å; K807-P811 WeakPolarHBondContact O-CA 2.92Å; R809-P811 WeakPolarHBondContact O-CD 3.29Å; P811-N814 PolarHBondContact O-N 3.36Å; P811-Q815 PolarHBondContact O-N 3.26Å; P811-Q815 VanDerWaalsContact O-N 3.09Å
812	L	85.4	Confident	83.1	Confident	22 Å²	22	46.9 Å²	46.9	12%	0.115	21%	0.21	C	C	.	.	H	α-helix	trans	-74.6	-41.6	-177.8	-58.6	174.5	0	0	0	111.2	F758 T775 N778 L779 E782 N814 Q815 I816	F758-L812 HydrophobicContact CE2-CB 4.5Å; F758-L812 HydrophobicContact CE2-CD1 4.48Å; F758-L812 HydrophobicContact CE2-CD2 4.04Å; T775-L812 HydrophobicContact CG2-CD1 4.19Å; T775-L812 HydrophobicContact CG2-CD2 3.96Å; T775-L812 VanDerWaalsContact O-CD1 3.31Å; T775-L812 WeakPolarHBondContact O-CD1 3.35Å; N778-L812 HydrophobicContact CB-CD1 4.14Å; L779-L812 HydrophobicContact CB-CD1 3.9Å; L779-L812 HydrophobicContact CD1-CB 3.91Å; E782-L812 WeakPolarHBondContact OE1-CG 3.39Å; E782-L812 PolarHBondContact OE1-N 2.82Å; E782-L812 PolarHBondContact OE2-N 3.17Å; L812-N814 VanDerWaalsContact C-N 3.31Å; L812-N814 PolarHBondContact O-N 3.5Å; L812-Q815 PolarHBondContact O-N 3.46Å; L812-I816 WeakPolarHBondContact O-CG1 3.42Å; L812-I816 PolarHBondContact O-N 2.79Å
813	L	85.3	Confident	83.9	Confident	4 Å²	4	46 Å²	46	2%	0.021	21%	0.205	C	C	.	.	H	α-helix	trans	-63.8	-37.8	173.5	-66.4	175.1	0	0	0	111.8	I754 L779 E782 W783 L786 I803 F810 Q815 I816 L817	I754-L813 HydrophobicContact CD1-CD2 4.15Å; I754-L813 HydrophobicContact CG1-CD2 4.24Å; L779-L813 HydrophobicContact CD1-CD2 3.79Å; L779-L813 HydrophobicContact CD1-CG 4.23Å; E782-L813 HydrophobicContact CB-CD1 3.84Å; E782-L813 HydrophobicContact CB-CG 4.07Å; E782-L813 PolarHBondContact OE2-N 3.31Å; W783-L813 HydrophobicContact CE3-CD1 4.35Å; W783-L813 HydrophobicContact CE3-CD2 3.74Å; W783-L813 HydrophobicContact CZ3-CD2 4.28Å; L786-L813 HydrophobicContact CB-CD1 4.16Å; L786-L813 HydrophobicContact CD2-CD1 4.15Å; I803-L813 HydrophobicContact CG2-CB 4.17Å; F810-L813 HydrophobicContact CB-CB 4.22Å; F810-L813 HydrophobicContact CB-CD1 4.38Å; F810-L813 HydrophobicContact CD1-CD1 3.91Å; F810-L813 HydrophobicContact CG-CD1 4.44Å; L813-Q815 VanDerWaalsContact C-N 3.33Å; L813-Q815 PolarHBondContact O-N 3.34Å; L813-I816 HydrophobicContact CD2-CD1 4.14Å; L813-I816 WeakPolarHBondContact O-CB 3.41Å; L813-I816 PolarHBondContact O-N 2.95Å; L813-L817 WeakPolarHBondContact O-CG 3.32Å; L813-L817 PolarHBondContact O-N 3.31Å
814	N	84.7	Confident	84.5	Confident	17 Å²	17	45.7 Å²	45.7	9%	0.091	20%	0.204	C	C	.	.	H	α-helix	trans	-63.2	-40	174.4	177.7	71.9	0	0	0	111.7	I803 K807 F810 P811 L812 L817 Q818	I803-N814 HydrophobicContact CG2-CB 3.9Å; K807-N814 HydrophobicContact CG-CB 4.31Å; F810-N814 WeakPolarHBondContact O-CB 3.33Å; F810-N814 PolarHBondContact O-N 2.96Å; P811-N814 PolarHBondContact O-N 3.36Å; L812-N814 VanDerWaalsContact C-N 3.31Å; L812-N814 PolarHBondContact O-N 3.5Å; N814-L817 PolarHBondContact O-N 3.34Å; N814-Q818 PolarHBondContact ND2-NE2 3.48Å; N814-Q818 WeakPolarHBondContact O-CG 3.42Å; N814-Q818 PolarHBondContact O-N 2.9Å
815	Q	84.4	Confident	85.2	Confident	62 Å²	62	45.5 Å²	45.5	29%	0.29	20%	0.203	S	C	.	.	H	α-helix	trans	-64.1	-42.1	174.8	-171.6	179.4	-0.8	0	0	112	F403 P811 L812 L813 L817 Q818 V819	F403-Q815 HydrophobicContact CZ-CG 4.43Å; P811-Q815 PolarHBondContact O-N 3.26Å; P811-Q815 VanDerWaalsContact O-N 3.09Å; L812-Q815 PolarHBondContact O-N 3.46Å; L813-Q815 VanDerWaalsContact C-N 3.33Å; L813-Q815 PolarHBondContact O-N 3.34Å; Q815-L817 VanDerWaalsContact C-N 3.33Å; Q815-L817 PolarHBondContact O-N 3Å; Q815-Q818 PolarHBondContact O-N 3.34Å; Q815-V819 PolarHBondContact O-N 3.24Å
816	I	87.6	Confident	85.6	Confident	1 Å²	1	38 Å²	38	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-55.1	-50.5	172.6	-73.2	159.9	0	0	0	110.6	I754 I757 L761 L779 L812 L813 Q818 V819 V820	I754-I816 HydrophobicContact CD1-CD1 3.98Å; I754-I816 HydrophobicContact CG1-CD1 4.16Å; I757-I816 HydrophobicContact CG2-CB 4.46Å; I757-I816 HydrophobicContact CG2-CG1 4.13Å; I757-I816 HydrophobicContact CG2-CG2 3.63Å; L761-I816 HydrophobicContact CD1-CB 3.9Å; L761-I816 HydrophobicContact CD1-CD1 4.37Å; L761-I816 HydrophobicContact CD1-CG1 3.14Å; L779-I816 HydrophobicContact CD1-CD1 3.66Å; L779-I816 HydrophobicContact CD2-CD1 4.44Å; L812-I816 WeakPolarHBondContact O-CG1 3.42Å; L812-I816 PolarHBondContact O-N 2.79Å; L813-I816 HydrophobicContact CD2-CD1 4.14Å; L813-I816 WeakPolarHBondContact O-CB 3.41Å; L813-I816 PolarHBondContact O-N 2.95Å; I816-Q818 VanDerWaalsContact C-N 3.31Å; I816-Q818 PolarHBondContact O-N 3Å; I816-V819 PolarHBondContact O-N 3.15Å; I816-V820 HydrophobicContact CG2-CG2 4.21Å; I816-V820 WeakPolarHBondContact O-CG2 3.35Å; I816-V820 PolarHBondContact O-N 3.08Å
817	L	84.9	Confident	86.2	Confident	8 Å²	8	32.8 Å²	32.8	4%	0.042	16%	0.157	C	C	.	.	H	α-helix	trans	-63.6	-36.3	-179.2	-70.6	-177.7	0	0	0	112.8	L734 L800 I803 L813 N814 Q815 R821	L734-L817 HydrophobicContact CD1-CD2 4.48Å; L800-L817 HydrophobicContact CD2-CD1 3.54Å; L800-L817 HydrophobicContact CD2-CD2 3.39Å; L800-L817 HydrophobicContact CD2-CG 4.03Å; I803-L817 HydrophobicContact CB-CD1 3.81Å; I803-L817 HydrophobicContact CD1-CD1 3.62Å; I803-L817 HydrophobicContact CG1-CD1 4.33Å; I803-L817 HydrophobicContact CG2-CD1 3.68Å; L813-L817 WeakPolarHBondContact O-CG 3.32Å; L813-L817 PolarHBondContact O-N 3.31Å; N814-L817 PolarHBondContact O-N 3.34Å; Q815-L817 VanDerWaalsContact C-N 3.33Å; Q815-L817 PolarHBondContact O-N 3Å; L817-R821 VanDerWaalsContact O-CB 3.26Å; L817-R821 WeakPolarHBondContact O-CB 3.33Å; L817-R821 WeakPolarHBondContact O-CD 3.19Å; L817-R821 WeakPolarHBondContact O-CG 3.35Å; L817-R821 PolarHBondContact O-N 3.5Å
818	Q	84.9	Confident	86.7	Confident	50 Å²	50	30.2 Å²	30.2	23%	0.234	15%	0.148	C	C	.	.	H	α-helix	trans	-61.5	-43.8	177.2	-76.3	176	-10.2	0	0	111.8	F403 N814 Q815 I816 V822	F403-Q818 HydrophobicContact CD2-CB 4.02Å; F403-Q818 HydrophobicContact CE2-CB 4Å; N814-Q818 PolarHBondContact ND2-NE2 3.48Å; N814-Q818 WeakPolarHBondContact O-CG 3.42Å; N814-Q818 PolarHBondContact O-N 2.9Å; Q815-Q818 PolarHBondContact O-N 3.34Å; I816-Q818 VanDerWaalsContact C-N 3.31Å; I816-Q818 PolarHBondContact O-N 3Å; Q818-V822 VanDerWaalsContact O-CG2 3.28Å; Q818-V822 WeakPolarHBondContact O-CG2 3.19Å; Q818-V822 PolarHBondContact O-N 3.26Å
819	V	88.3	Confident	87.2	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-69.3	-51.1	177.1	172.2	0	0	0	0	111.1	F403 V472 L761 I764 Q815 I816 R821 V822 L823	F403-V819 HydrophobicContact CD1-CG2 4.03Å; F403-V819 HydrophobicContact CD2-CG2 3.6Å; F403-V819 HydrophobicContact CE1-CG2 3.93Å; F403-V819 HydrophobicContact CE2-CG2 3.52Å; F403-V819 HydrophobicContact CG-CG2 3.86Å; F403-V819 HydrophobicContact CZ-CG2 3.69Å; V472-V819 HydrophobicContact CB-CG1 4.28Å; V472-V819 HydrophobicContact CG2-CG1 4.16Å; L761-V819 HydrophobicContact CD2-CB 3.57Å; L761-V819 HydrophobicContact CD2-CG1 3.75Å; L761-V819 HydrophobicContact CD2-CG2 3.35Å; I764-V819 HydrophobicContact CD1-CG2 4.03Å; Q815-V819 PolarHBondContact O-N 3.24Å; I816-V819 PolarHBondContact O-N 3.15Å; V819-R821 PolarHBondContact O-N 3.48Å; V819-V822 PolarHBondContact O-N 3.18Å; V819-L823 WeakPolarHBondContact O-CG 3.37Å; V819-L823 PolarHBondContact O-N 3.19Å
820	V	88.7	Confident	87.6	Confident	20 Å²	20	17.1 Å²	17.1	12%	0.121	9%	0.093	C	C	.	.	H	α-helix	trans	-58.3	-36.3	-177.3	173.9	0	0	0	0	111.8	V650 F727 L734 I816	V650-V820 HydrophobicContact CB-CG1 4.42Å; V650-V820 HydrophobicContact CG2-CG1 4.43Å; V650-V820 WeakPolarHBondContact CG2-O 3.28Å; F727-V820 HydrophobicContact CE1-CG2 4.26Å; F727-V820 HydrophobicContact CZ-CG2 4.01Å; L734-V820 HydrophobicContact CD1-CG1 4.16Å; L734-V820 HydrophobicContact CD1-CG2 4.21Å; I816-V820 HydrophobicContact CG2-CG2 4.21Å; I816-V820 WeakPolarHBondContact O-CG2 3.35Å; I816-V820 PolarHBondContact O-N 3.08Å
821	R	85.9	Confident	87.8	Confident	53 Å²	53	20.1 Å²	20.1	20%	0.2	11%	0.109	C	C	.	.	H	α-helix	trans	-69.4	-32.5	177.8	-74	169.5	73.1	165	7.2	113.5	Q425 T427 D430 S431 P433 L817 V819	Q425-R821 PolarHBondContact NE2-O 3.29Å; T427-R821 HydrophobicContact CG2-CB 4.39Å; D430-R821 PolarHBondContact O-NH2 3.06Å; S431-R821 PolarHBondContact O-NH2 2.9Å; P433-R821 WeakPolarHBondContact CB-O 3.4Å; P433-R821 WeakPolarHBondContact CG-O 3.27Å; L817-R821 VanDerWaalsContact O-CB 3.26Å; L817-R821 WeakPolarHBondContact O-CB 3.33Å; L817-R821 WeakPolarHBondContact O-CD 3.19Å; L817-R821 WeakPolarHBondContact O-CG 3.35Å; L817-R821 PolarHBondContact O-N 3.5Å; V819-R821 PolarHBondContact O-N 3.48Å
822	V	89.6	Confident	88.1	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-83	-17.3	-176.4	171.3	0	0	0	0	111.7	F403 L404 S405 Q425 T427 V472 Q818 V819	F403-V822 HydrophobicContact CB-CG1 4.32Å; L404-V822 VanDerWaalsContact C-CG1 3.44Å; S405-V822 WeakPolarHBondContact CB-O 3.46Å; S405-V822 PolarHBondContact OG-O 3.46Å; Q425-V822 VanDerWaalsContact CD-O 3.25Å; Q425-V822 WeakPolarHBondContact CG-O 3.48Å; Q425-V822 PolarHBondContact NE2-O 3.21Å; Q425-V822 WeakPolarHBondContact O-CG1 3.34Å; T427-V822 HydrophobicContact CG2-CG2 3.58Å; V472-V822 HydrophobicContact CG2-CG1 4.27Å; Q818-V822 VanDerWaalsContact O-CG2 3.28Å; Q818-V822 WeakPolarHBondContact O-CG2 3.19Å; Q818-V822 PolarHBondContact O-N 3.26Å; V819-V822 PolarHBondContact O-N 3.18Å
823	L	91.8	Very high	88.4	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-61	142.7	-179.8	-73.4	176.1	0	0	0	113.2	Q425 V472 L501 L503 V650 F727 V819 S825	Q425-L823 PolarHBondContact NE2-O 2.84Å; Q425-L823 PolarHBondContact OE1-O 3.27Å; V472-L823 HydrophobicContact CG2-CD2 4.33Å; L501-L823 HydrophobicContact CB-CD2 4.09Å; L501-L823 HydrophobicContact CD1-CD1 3.84Å; L501-L823 HydrophobicContact CD1-CD2 3.96Å; L503-L823 HydrophobicContact CD1-CB 3.8Å; L503-L823 HydrophobicContact CD1-CD1 4.33Å; L503-L823 HydrophobicContact CD1-CD2 4.33Å; L503-L823 HydrophobicContact CD1-CG 4.37Å; V650-L823 HydrophobicContact CG1-CD1 4.19Å; V650-L823 HydrophobicContact CG2-CB 3.74Å; V650-L823 HydrophobicContact CG2-CD1 4.3Å; F727-L823 HydrophobicContact CD1-CD1 4.18Å; F727-L823 HydrophobicContact CE1-CD1 3.43Å; F727-L823 VanDerWaalsContact CE1-CD1 3.43Å; F727-L823 HydrophobicContact CZ-CD1 4.14Å; V819-L823 WeakPolarHBondContact O-CG 3.37Å; V819-L823 PolarHBondContact O-N 3.19Å; L823-S825 PolarHBondContact O-N 2.93Å
824	P	90.3	Very high	88.5	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.111	C	C	.	.			trans	-76.4	111.2	-176.5	29.8	-32.9	0	0	0	110.9	S405 I407 L503 I505	S405-P824 WeakPolarHBondContact OG-CD 3.36Å; I407-P824 HydrophobicContact CD1-CB 3.69Å; I407-P824 HydrophobicContact CG1-CB 3.6Å; L503-P824 HydrophobicContact CB-CG 4.32Å; L503-P824 HydrophobicContact CD1-CG 4.23Å; L503-P824 VanDerWaalsContact CD1-O 3.32Å; L503-P824 WeakPolarHBondContact CD1-O 3.33Å; I505-P824 HydrophobicContact CG2-CB 4.29Å
825	S	88.6	Confident	88.7	Confident	10 Å²	10	22.8 Å²	22.8	7%	0.07	12%	0.121	C	C	.	.			trans	-128.5	-45.4	176.9	56.5	0	0	0	0	112.4	F643 L648 L823	F643-S825 WeakPolarHBondContact CD1-O 3.43Å; L648-S825 WeakPolarHBondContact CD2-O 3.15Å; L648-S825 VanDerWaalsContact O-CB 3.27Å; L648-S825 WeakPolarHBondContact O-CB 3.09Å; L648-S825 PolarHBondContact O-OG 3.26Å; L823-S825 PolarHBondContact O-N 2.93Å
826	S	89.4	Confident	89	Confident	17 Å²	17	19.9 Å²	19.9	12%	0.119	11%	0.108	C	C	.	.			trans	-85.2	143.3	175.1	175.3	0	0	0	0	111.4	M435 F643 G645 A828	M435-S826 WeakPolarHBondContact CE-O 3.19Å; F643-S826 CarbonylContact O-C 3.23Å; F643-S826 WeakPolarHBondContact O-CA 3.27Å; G645-S826 WeakPolarHBondContact O-CB 3.48Å; G645-S826 PolarHBondContact O-OG 3.43Å; S826-A828 PolarHBondContact OG-N 3.38Å
827	T	90.6	Very high	89.2	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.108	C	C	.	.			trans	-115.8	15.5	174.9	58.1	0	0	0	0	112.8	I505 L506 I507 F643 Q644 C829 C830 D831	I505-T827 HydrophobicContact CB-CG2 3.95Å; I505-T827 HydrophobicContact CG2-CG2 4.32Å; L506-T827 PolarHBondContact O-OG1 2.96Å; I507-T827 HydrophobicContact CG1-CG2 3.68Å; F643-T827 VanDerWaalsContact C-OG1 3.23Å; F643-T827 PolarHBondContact O-N 3.38Å; F643-T827 PolarHBondContact O-OG1 3.37Å; Q644-T827 WeakPolarHBondContact CA-OG1 3.33Å; Q644-T827 PolarHBondContact N-OG1 3.18Å; T827-C829 VanDerWaalsContact C-N 3.3Å; T827-C829 PolarHBondContact O-N 2.86Å; T827-C830 WeakPolarHBondContact O-CA 3.05Å; T827-C830 WeakPolarHBondContact O-CB 3.35Å; T827-C830 PolarHBondContact O-N 3.23Å; T827-D831 PolarHBondContact O-N 3.48Å
828	A	88.4	Confident	89.3	Confident	14 Å²	14	22.6 Å²	22.6	12%	0.116	12%	0.12	C	C	.	.	H	α-helix	trans	-57.2	-39.6	-175.5	0	0	0	0	0	113.2	Q644 E646 S826 K832	Q644-A828 WeakPolarHBondContact O-CA 3.43Å; Q644-A828 WeakPolarHBondContact O-CB 3.44Å; E646-A828 HydrophobicContact CG-CB 4.28Å; S826-A828 PolarHBondContact OG-N 3.38Å; A828-K832 WeakPolarHBondContact O-CG 3.24Å; A828-K832 PolarHBondContact O-N 3.12Å
829	C	90.6	Very high	89.5	Confident	18 Å²	18	25 Å²	25	12%	0.122	13%	0.127	C	C	.	.	H	α-helix	trans	-70.3	-37	176.7	-171.6	0	0	0	0	111.6	M435 T827 D831 K832 G833 V861	M435-C829 HydrophobicContact CB-CB 3.95Å; M435-C829 HydrophobicContact CG-CB 3.63Å; M435-C829 PolarHBondContact O-SG 3.37Å; M435-C829 HydrophobicContact SD-CB 3.59Å; M435-C829 VanDerWaalsContact SD-CB 3.59Å; T827-C829 VanDerWaalsContact C-N 3.3Å; T827-C829 PolarHBondContact O-N 2.86Å; C829-D831 PolarHBondContact O-N 2.93Å; C829-K832 WeakPolarHBondContact O-CB 3.41Å; C829-K832 PolarHBondContact O-N 3.44Å; C829-G833 PolarHBondContact O-N 3.01Å; C829-V861 VanDerWaalsContact SG-CG1 3.57Å
830	C	91.1	Very high	89.6	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.7	-39.9	176.6	-53.1	0	0	0	0	112	I407 Y423 I507 T827 G833 R834	I407-C830 VanDerWaalsContact CG2-SG 3.59Å; Y423-C830 HydrophobicContact CD2-CB 4.37Å; Y423-C830 VanDerWaalsContact CD2-SG 3.54Å; Y423-C830 HydrophobicContact CE2-CB 4.02Å; I507-C830 HydrophobicContact CD1-CB 3.77Å; I507-C830 HydrophobicContact CG1-CB 4.05Å; I507-C830 HydrophobicContact CG2-CB 3.76Å; T827-C830 WeakPolarHBondContact O-CA 3.05Å; T827-C830 WeakPolarHBondContact O-CB 3.35Å; T827-C830 PolarHBondContact O-N 3.23Å; C830-G833 PolarHBondContact O-N 3.35Å; C830-R834 WeakPolarHBondContact O-CB 3.4Å; C830-R834 PolarHBondContact O-N 2.88Å
831	D	88.9	Confident	89.4	Confident	63 Å²	63	25.9 Å²	25.9	34%	0.337	13%	0.133	S	C	.	.	H	α-helix	trans	-63.6	-43.5	174.5	-172.6	60.5	0	0	0	111.5	Q644 T827 C829 G833 R834 G835	Q644-D831 HydrophobicContact CG-CB 4.4Å; T827-D831 PolarHBondContact O-N 3.48Å; C829-D831 PolarHBondContact O-N 2.93Å; D831-G833 VanDerWaalsContact C-N 3.34Å; D831-G833 PolarHBondContact O-N 2.91Å; D831-R834 PolarHBondContact O-N 3.29Å; D831-G835 PolarHBondContact O-N 3.32Å
832	K	89.7	Confident	89.2	Confident	125 Å²	125	31.1 Å²	31.1	54%	0.543	16%	0.158	S	C	.	.	H	α-helix	trans	-57.5	-45.9	171.9	-71.2	174.8	-173.6	175.9	0	111.5	E646 A828 C829 G835 A836	E646-K832 IonicContact OE1-NZ 3.28Å; A828-K832 WeakPolarHBondContact O-CG 3.24Å; A828-K832 PolarHBondContact O-N 3.12Å; C829-K832 WeakPolarHBondContact O-CB 3.41Å; C829-K832 PolarHBondContact O-N 3.44Å; K832-G835 PolarHBondContact O-N 3.45Å; K832-A836 WeakPolarHBondContact O-CB 3.39Å; K832-A836 PolarHBondContact O-N 3.44Å
833	G	91.7	Very high	89	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-63.6	-42	178.7	0	0	0	0	0	113.4	Y423 C829 C830 D831 A836 L837	Y423-G833 WeakPolarHBondContact OH-CA 3.42Å; C829-G833 PolarHBondContact O-N 3.01Å; C830-G833 PolarHBondContact O-N 3.35Å; D831-G833 VanDerWaalsContact C-N 3.34Å; D831-G833 PolarHBondContact O-N 2.91Å; G833-A836 PolarHBondContact O-N 3.49Å; G833-L837 WeakPolarHBondContact O-CB 3.4Å; G833-L837 PolarHBondContact O-N 2.97Å
834	R	88.4	Confident	88.5	Confident	7 Å²	7	35 Å²	35	3%	0.026	18%	0.178	C	C	.	.	H	α-helix	trans	-63.8	-44.2	174.5	-172.9	175.4	-71.9	-102.3	12.3	111.9	D409 A410 N412 C830 D831 A836 L837 Q838	D409-R834 IonicContact OD1-CZ 2.88Å; D409-R834 IonicContact OD1-NH2 3.28Å; D409-R834 PolarHBondContact OD1-NH2 3.27Å; D409-R834 IonicContact OD2-CZ 3.16Å; D409-R834 IonicContact OD2-NE 2.74Å; D409-R834 PolarHBondContact OD2-NE 3.19Å; D409-R834 IonicContact OD2-NH2 3.29Å; D409-R834 PolarHBondContact OD2-NH2 2.99Å; A410-R834 PolarHBondContact O-NH2 3.36Å; A410-R834 VanDerWaalsContact O-NH2 3.13Å; N412-R834 PolarHBondContact ND2-NH1 2.94Å; C830-R834 WeakPolarHBondContact O-CB 3.4Å; C830-R834 PolarHBondContact O-N 2.88Å; D831-R834 PolarHBondContact O-N 3.29Å; R834-A836 VanDerWaalsContact C-N 3.33Å; R834-A836 PolarHBondContact O-N 2.95Å; R834-L837 PolarHBondContact O-N 3.33Å; R834-Q838 WeakPolarHBondContact O-CG 3.47Å; R834-Q838 PolarHBondContact O-N 2.85Å
835	G	88.8	Confident	87.5	Confident	29 Å²	29	47.1 Å²	47.1	30%	0.299	22%	0.224	S	C	.	.	H	α-helix	trans	-61.6	-40.2	174.5	0	0	0	0	0	112.6	D831 K832 R839	D831-G835 PolarHBondContact O-N 3.32Å; K832-G835 PolarHBondContact O-N 3.45Å; G835-R839 WeakPolarHBondContact O-CB 3.4Å; G835-R839 PolarHBondContact O-N 3.45Å
836	A	91.6	Very high	86.6	Confident	2 Å²	2	49.7 Å²	49.7	2%	0.017	24%	0.242	C	C	.	.	H	α-helix	trans	-65.1	-45.6	175	0	0	0	0	0	111.8	K832 G833 R834 Q838 R839 I840 L857 A860 V861	K832-A836 WeakPolarHBondContact O-CB 3.39Å; K832-A836 PolarHBondContact O-N 3.44Å; G833-A836 PolarHBondContact O-N 3.49Å; R834-A836 VanDerWaalsContact C-N 3.33Å; R834-A836 PolarHBondContact O-N 2.95Å; A836-Q838 PolarHBondContact O-N 3.36Å; A836-R839 WeakPolarHBondContact O-CB 3.25Å; A836-R839 PolarHBondContact O-N 3.35Å; A836-R839 VanDerWaalsContact O-N 3.16Å; A836-I840 WeakPolarHBondContact O-CB 3.38Å; A836-I840 WeakPolarHBondContact O-CD1 3.37Å; A836-I840 VanDerWaalsContact O-CG1 3.26Å; A836-I840 WeakPolarHBondContact O-CG1 3.16Å; A836-I840 PolarHBondContact O-N 3.43Å; A836-L857 HydrophobicContact CB-CD2 3.95Å; A836-A860 HydrophobicContact CB-CB 3.9Å; A836-V861 HydrophobicContact CB-CG2 4.28Å
837	L	90.4	Very high	86	Confident	4 Å²	4	60.2 Å²	60.2	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-57.6	-49.6	177.2	177.8	57.6	0	0	0	111.1	Q411 L440 G833 R834 R839 I840 C841 M853 L857	Q411-L837 HydrophobicContact CG-CD2 3.81Å; L440-L837 HydrophobicContact CD2-CD1 4.32Å; G833-L837 WeakPolarHBondContact O-CB 3.4Å; G833-L837 PolarHBondContact O-N 2.97Å; R834-L837 PolarHBondContact O-N 3.33Å; L837-R839 VanDerWaalsContact C-N 3.3Å; L837-R839 PolarHBondContact O-N 2.82Å; L837-I840 PolarHBondContact O-N 2.81Å; L837-C841 PolarHBondContact O-N 2.83Å; L837-C841 PolarHBondContact O-SG 3.21Å; L837-M853 HydrophobicContact CD1-CE 3.43Å; L837-M853 VanDerWaalsContact CD1-CE 3.43Å; L837-L857 HydrophobicContact CB-CD2 3.98Å; L837-L857 HydrophobicContact CD1-CD1 4.17Å
838	Q	86.9	Confident	85.8	Confident	62 Å²	62	61.3 Å²	61.3	29%	0.29	29%	0.285	S	S	.	.	H	α-helix	trans	-60.9	-39.6	177.1	-71.4	-178.4	-3.8	0	0	112.3	R834 A836 K842	R834-Q838 WeakPolarHBondContact O-CG 3.47Å; R834-Q838 PolarHBondContact O-N 2.85Å; A836-Q838 PolarHBondContact O-N 3.36Å; Q838-K842 WeakPolarHBondContact O-CB 3.42Å; Q838-K842 VanDerWaalsContact O-CG 3.23Å; Q838-K842 WeakPolarHBondContact O-CG 3.49Å; Q838-K842 PolarHBondContact O-N 3.18Å
839	R	89.5	Confident	85.9	Confident	100 Å²	100	63.7 Å²	63.7	38%	0.377	30%	0.298	S	S	.	.	H	α-helix	trans	-64.6	-48.3	177.5	-170.2	-173.1	-49.4	117.8	8.1	111.5	E348 G835 A836 L837 C841 K842 N843	E348-R839 WeakPolarHBondContact O-CD 3.17Å; G835-R839 WeakPolarHBondContact O-CB 3.4Å; G835-R839 PolarHBondContact O-N 3.45Å; A836-R839 WeakPolarHBondContact O-CB 3.25Å; A836-R839 PolarHBondContact O-N 3.35Å; A836-R839 VanDerWaalsContact O-N 3.16Å; L837-R839 VanDerWaalsContact C-N 3.3Å; L837-R839 PolarHBondContact O-N 2.82Å; R839-C841 VanDerWaalsContact C-N 3.31Å; R839-C841 PolarHBondContact O-N 3.09Å; R839-K842 PolarHBondContact O-N 2.66Å; R839-N843 WeakPolarHBondContact O-CB 3.44Å; R839-N843 VanDerWaalsContact O-CG 3.28Å; R839-N843 PolarHBondContact O-N 3.16Å; R839-N843 PolarHBondContact O-ND2 3.04Å
840	I	90.3	Very high	85.9	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-56.3	-48.1	177.4	-71.5	160.9	0	0	0	109.8	A836 L837 N844 L848 L856 L857	A836-I840 WeakPolarHBondContact O-CB 3.38Å; A836-I840 WeakPolarHBondContact O-CD1 3.37Å; A836-I840 VanDerWaalsContact O-CG1 3.26Å; A836-I840 WeakPolarHBondContact O-CG1 3.16Å; A836-I840 PolarHBondContact O-N 3.43Å; L837-I840 PolarHBondContact O-N 2.81Å; I840-N844 WeakPolarHBondContact O-CB 3.34Å; I840-N844 PolarHBondContact O-N 3.46Å; I840-N844 PolarHBondContact O-ND2 3.3Å; I840-L848 HydrophobicContact CG2-CD1 3.46Å; I840-L848 VanDerWaalsContact CG2-CD1 3.46Å; I840-L856 HydrophobicContact CD1-CB 3.76Å; I840-L856 HydrophobicContact CG1-CB 4.32Å; I840-L856 HydrophobicContact CG2-CB 4.47Å; I840-L856 HydrophobicContact CG2-CD1 3.8Å; I840-L857 HydrophobicContact CD1-CD2 3.8Å; I840-L857 HydrophobicContact CD1-CG 3.99Å
841	C	84.3	Confident	85.9	Confident	37 Å²	37	69.3 Å²	69.3	25%	0.25	32%	0.324	C	S	.	.	H	α-helix	trans	-68.7	-36	-179.1	-63.8	0	0	0	0	113.4	F416 L837 R839	F416-C841 HydrophobicContact CE2-CB 4.34Å; F416-C841 HydrophobicContact CZ-CB 3.9Å; F416-C841 WeakPolarHBondContact CZ-SG 3.28Å; L837-C841 PolarHBondContact O-N 2.83Å; L837-C841 PolarHBondContact O-SG 3.21Å; R839-C841 VanDerWaalsContact C-N 3.31Å; R839-C841 PolarHBondContact O-N 3.09Å
842	K	83.1	Confident	86.1	Confident	164 Å²	164	67.4 Å²	67.4	71%	0.713	31%	0.313	S	S	*	.	H	α-helix	trans	-70.5	-38.1	177.3	-76.4	173.8	-179.2	177.5	0	112.7	Q838 R839	Q838-K842 WeakPolarHBondContact O-CB 3.42Å; Q838-K842 VanDerWaalsContact O-CG 3.23Å; Q838-K842 WeakPolarHBondContact O-CG 3.49Å; Q838-K842 PolarHBondContact O-N 3.18Å; R839-K842 PolarHBondContact O-N 2.66Å
843	N	85.4	Confident	86.2	Confident	69 Å²	69	62.1 Å²	62.1	37%	0.369	29%	0.291	S	S	.	.	H	α-helix	trans	-80.5	-28.1	-176.5	-71.5	-12.8	0	0	0	112.8	G349 R839	G349-N843 WeakPolarHBondContact O-CB 3.36Å; G349-N843 PolarHBondContact O-ND2 2.97Å; R839-N843 WeakPolarHBondContact O-CB 3.44Å; R839-N843 VanDerWaalsContact O-CG 3.28Å; R839-N843 PolarHBondContact O-N 3.16Å; R839-N843 PolarHBondContact O-ND2 3.04Å
844	N	81.2	Confident	86.3	Confident	12 Å²	12	62.6 Å²	62.6	6%	0.064	29%	0.293	C	S	.	.			trans	-89.7	115.7	179.1	-74.8	-84.7	0	0	0	110.7	A351 I840 L848	A351-N844 WeakPolarHBondContact CA-OD1 3.44Å; I840-N844 WeakPolarHBondContact O-CB 3.34Å; I840-N844 PolarHBondContact O-N 3.46Å; I840-N844 PolarHBondContact O-ND2 3.3Å; N844-L848 HydrophobicContact CB-CD1 3.91Å; N844-L848 HydrophobicContact CB-CD2 4.42Å; N844-L848 HydrophobicContact CB-CG 4.09Å
845	R	68.4	Low	86.7	Confident	254 Å²	254	62.7 Å²	62.7	96%	0.958	29%	0.294	S	S	*	.			trans	-80.9	-22.5	176	-63.7	-177.2	-179	173.3	0.9	112.9
846	S	70.3	Confident	87	Confident	65 Å²	65	61.3 Å²	61.3	46%	0.455	28%	0.28	S	S	.	.	S	Bend	trans	-88.6	147.8	175.6	51.4	0	0	0	0	110.6	L848	S846-L848 PolarHBondContact O-N 3.19Å; S846-L848 VanDerWaalsContact O-N 3.13Å
847	R	77.1	Confident	87.2	Confident	237 Å²	237	61.4 Å²	61.4	89%	0.894	28%	0.28	S	S	*	.			trans	-68.2	111.4	176.7	-170.9	178.4	-177.6	-163.5	2	109.1
848	L	86.4	Confident	87.4	Confident	24 Å²	24	61.2 Å²	61.2	13%	0.126	28%	0.279	C	S	.	.			trans	-74.9	143.9	173.9	-62.8	174.3	0	0	0	110.4	F352 I840 N844 S846 Q852 M853 L856	F352-L848 HydrophobicContact CD2-CD2 4.38Å; F352-L848 HydrophobicContact CE2-CD2 3.78Å; I840-L848 HydrophobicContact CG2-CD1 3.46Å; I840-L848 VanDerWaalsContact CG2-CD1 3.46Å; N844-L848 HydrophobicContact CB-CD1 3.91Å; N844-L848 HydrophobicContact CB-CD2 4.42Å; N844-L848 HydrophobicContact CB-CG 4.09Å; S846-L848 PolarHBondContact O-N 3.19Å; S846-L848 VanDerWaalsContact O-N 3.13Å; L848-Q852 HydrophobicContact CD2-CB 4.46Å; L848-M853 HydrophobicContact CB-CG 3.68Å; L848-M853 HydrophobicContact CB-SD 4.36Å; L848-M853 HydrophobicContact CD1-CG 4.15Å; L848-L856 HydrophobicContact CD1-CD1 3.9Å
849	T	90.2	Very high	87.9	Confident	63 Å²	63	58.2 Å²	58.2	39%	0.387	27%	0.265	S	S	.	.			trans	-76.5	160.1	168.5	62.2	0	0	0	0	110.5	E851 Q852 M853	T849-E851 PolarHBondContact O-N 2.94Å; T849-Q852 PolarHBondContact O-N 3.29Å; T849-Q852 WeakPolarHBondContact OG1-CB 3.38Å; T849-Q852 WeakPolarHBondContact OG1-CG 3.38Å; T849-Q852 PolarHBondContact OG1-N 2.86Å; T849-Q852 PolarHBondContact OG1-OE1 3.12Å; T849-M853 WeakPolarHBondContact O-CG 3.29Å; T849-M853 PolarHBondContact O-N 3.17Å
850	L	90	Very high	88.2	Confident	49 Å²	49	54.5 Å²	54.5	26%	0.257	26%	0.256	S	S	.	.	H	α-helix	trans	-59.9	-36.3	178.6	-176.7	63.4	0	0	0	112.3	L419 L440 R442 M853 N854	L419-L850 HydrophobicContact CD2-CD1 3.93Å; L440-L850 HydrophobicContact CD2-CD1 4.04Å; L440-L850 HydrophobicContact CG-CD1 4.08Å; L440-L850 WeakPolarHBondContact O-CD1 3.5Å; R442-L850 HydrophobicContact CB-CD2 4.3Å; L850-M853 PolarHBondContact O-N 3.46Å; L850-N854 WeakPolarHBondContact O-CB 3.21Å; L850-N854 PolarHBondContact O-N 2.66Å; L850-N854 PolarHBondContact O-ND2 3.19Å
851	E	91.3	Very high	88.4	Confident	87 Å²	87	55.8 Å²	55.8	41%	0.407	26%	0.263	S	S	.	.	H	α-helix	trans	-66.3	-45.7	176.8	-173.5	174.1	-170.3	0	0	111.6	H384 T849 M853 N854 D855	H384-E851 IonicContact CE1-OE1 2.86Å; T849-E851 PolarHBondContact O-N 2.94Å; E851-M853 VanDerWaalsContact C-N 3.32Å; E851-M853 PolarHBondContact O-N 3.17Å; E851-N854 VanDerWaalsContact O-CB 3.3Å; E851-N854 WeakPolarHBondContact O-CB 3.2Å; E851-N854 PolarHBondContact O-N 3.31Å; E851-N854 VanDerWaalsContact O-N 3.15Å; E851-D855 PolarHBondContact O-N 3.19Å
852	Q	92.3	Very high	88.9	Confident	23 Å²	23	55.2 Å²	55.2	11%	0.107	26%	0.258	C	S	.	.	H	α-helix	trans	-62.5	-39.2	175.2	-72	161.1	-14.7	0	0	112.2	L848 T849 N854 D855 L856	L848-Q852 HydrophobicContact CD2-CB 4.46Å; T849-Q852 PolarHBondContact O-N 3.29Å; T849-Q852 WeakPolarHBondContact OG1-CB 3.38Å; T849-Q852 WeakPolarHBondContact OG1-CG 3.38Å; T849-Q852 PolarHBondContact OG1-N 2.86Å; T849-Q852 PolarHBondContact OG1-OE1 3.12Å; Q852-N854 VanDerWaalsContact C-N 3.35Å; Q852-D855 PolarHBondContact O-N 3.24Å; Q852-L856 WeakPolarHBondContact O-CB 3.49Å; Q852-L856 VanDerWaalsContact O-CG 3.32Å; Q852-L856 WeakPolarHBondContact O-CG 3.48Å; Q852-L856 PolarHBondContact O-N 3.37Å
853	M	92.6	Very high	89.4	Confident	14 Å²	14	48.1 Å²	48.1	7%	0.069	23%	0.231	C	C	.	.	H	α-helix	trans	-63.8	-42.2	174.6	-69	174.3	70.2	0	0	111.2	F416 L419 L440 L837 L848 T849 L850 E851 L857	F416-M853 HydrophobicContact CD1-CE 4.41Å; F416-M853 HydrophobicContact CE1-CE 4Å; L419-M853 HydrophobicContact CD1-CE 4.19Å; L440-M853 HydrophobicContact CD2-CB 4.2Å; L440-M853 HydrophobicContact CD2-CE 4Å; L837-M853 HydrophobicContact CD1-CE 3.43Å; L837-M853 VanDerWaalsContact CD1-CE 3.43Å; L848-M853 HydrophobicContact CB-CG 3.68Å; L848-M853 HydrophobicContact CB-SD 4.36Å; L848-M853 HydrophobicContact CD1-CG 4.15Å; T849-M853 WeakPolarHBondContact O-CG 3.29Å; T849-M853 PolarHBondContact O-N 3.17Å; L850-M853 PolarHBondContact O-N 3.46Å; E851-M853 VanDerWaalsContact C-N 3.32Å; E851-M853 PolarHBondContact O-N 3.17Å; M853-L857 VanDerWaalsContact O-CB 3.27Å; M853-L857 WeakPolarHBondContact O-CB 3.42Å; M853-L857 VanDerWaalsContact O-CG 3.31Å; M853-L857 WeakPolarHBondContact O-CG 3.28Å; M853-L857 PolarHBondContact O-N 2.69Å
854	N	94.3	Very high	89.8	Confident	12 Å²	12	46.8 Å²	46.8	6%	0.064	23%	0.227	C	C	.	.	H	α-helix	trans	-59.1	-47	174.4	-95.5	-73.1	0	0	0	112.2	S439 L440 L850 E851 Q852 L857 T858	S439-N854 WeakPolarHBondContact CA-OD1 3.43Å; L440-N854 PolarHBondContact N-OD1 2.89Å; L440-N854 PolarHBondContact O-ND2 3.09Å; L850-N854 WeakPolarHBondContact O-CB 3.21Å; L850-N854 PolarHBondContact O-N 2.66Å; L850-N854 PolarHBondContact O-ND2 3.19Å; E851-N854 VanDerWaalsContact O-CB 3.3Å; E851-N854 WeakPolarHBondContact O-CB 3.2Å; E851-N854 PolarHBondContact O-N 3.31Å; E851-N854 VanDerWaalsContact O-N 3.15Å; Q852-N854 VanDerWaalsContact C-N 3.35Å; N854-L857 PolarHBondContact O-N 3.48Å; N854-T858 WeakPolarHBondContact O-CB 3.37Å; N854-T858 PolarHBondContact O-N 2.72Å; N854-T858 PolarHBondContact O-OG1 3.16Å
855	D	95.4	Very high	90.3	Very high	9 Å²	9	50.3 Å²	50.3	5%	0.048	25%	0.25	C	S	.	.	H	α-helix	trans	-67.3	-44.6	-177.7	-70.4	-15.9	0	0	0	111.4	V383 H384 A387 K391 E851 Q852 L857 T858 V859	V383-D855 HydrophobicContact CG1-CB 4.39Å; H384-D855 IonicContact CE1-OD2 3.58Å; H384-D855 IonicContact CG-OD2 3.09Å; H384-D855 IonicContact ND1-OD2 3.14Å; H384-D855 PolarHBondContact ND1-OD2 2.77Å; A387-D855 HydrophobicContact CB-CB 3.54Å; A387-D855 WeakPolarHBondContact CB-OD1 3.37Å; K391-D855 IonicContact NZ-OD1 2.72Å; K391-D855 PolarHBondContact NZ-OD1 3.33Å; E851-D855 PolarHBondContact O-N 3.19Å; Q852-D855 PolarHBondContact O-N 3.24Å; D855-L857 PolarHBondContact O-N 2.74Å; D855-T858 PolarHBondContact O-N 3.28Å; D855-V859 WeakPolarHBondContact O-CG2 3.37Å; D855-V859 PolarHBondContact O-N 3.27Å; D855-V859 VanDerWaalsContact O-N 3.1Å
856	L	95.4	Very high	91.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.4	-42.9	174.3	-72.1	170.9	0	0	0	112	A346 F352 V383 I840 L848 Q852 V859 A860	A346-L856 HydrophobicContact CB-CD2 3.76Å; F352-L856 HydrophobicContact CE1-CD1 4.47Å; F352-L856 HydrophobicContact CE1-CD2 3.86Å; F352-L856 HydrophobicContact CE1-CG 4.34Å; F352-L856 HydrophobicContact CE2-CD1 4.16Å; F352-L856 HydrophobicContact CZ-CD1 3.72Å; F352-L856 HydrophobicContact CZ-CD2 3.9Å; F352-L856 HydrophobicContact CZ-CG 3.88Å; V383-L856 HydrophobicContact CG1-CD2 4.1Å; I840-L856 HydrophobicContact CD1-CB 3.76Å; I840-L856 HydrophobicContact CG1-CB 4.32Å; I840-L856 HydrophobicContact CG2-CB 4.47Å; I840-L856 HydrophobicContact CG2-CD1 3.8Å; L848-L856 HydrophobicContact CD1-CD1 3.9Å; Q852-L856 WeakPolarHBondContact O-CB 3.49Å; Q852-L856 VanDerWaalsContact O-CG 3.32Å; Q852-L856 WeakPolarHBondContact O-CG 3.48Å; Q852-L856 PolarHBondContact O-N 3.37Å; L856-V859 PolarHBondContact O-N 2.98Å; L856-A860 VanDerWaalsContact O-CB 3.24Å; L856-A860 WeakPolarHBondContact O-CB 3.49Å; L856-A860 PolarHBondContact O-N 3.37Å
857	L	95.3	Very high	92.3	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	24%	0.242	C	C	.	.	H	α-helix	trans	-66.4	-40.2	176.8	-81.1	175.4	0	0	0	112.7	F437 L440 A836 L837 I840 M853 N854 D855 V859 A860 V861	F437-L857 HydrophobicContact CD1-CB 4.3Å; F437-L857 HydrophobicContact CE1-CB 3.74Å; F437-L857 HydrophobicContact CE2-CB 4.47Å; F437-L857 HydrophobicContact CE2-CD1 4.17Å; F437-L857 HydrophobicContact CZ-CB 3.82Å; F437-L857 HydrophobicContact CZ-CD1 3.87Å; L440-L857 HydrophobicContact CB-CD1 4.19Å; L440-L857 HydrophobicContact CD2-CD1 3.82Å; L440-L857 HydrophobicContact CG-CD1 4.45Å; A836-L857 HydrophobicContact CB-CD2 3.95Å; L837-L857 HydrophobicContact CB-CD2 3.98Å; L837-L857 HydrophobicContact CD1-CD1 4.17Å; I840-L857 HydrophobicContact CD1-CD2 3.8Å; I840-L857 HydrophobicContact CD1-CG 3.99Å; M853-L857 VanDerWaalsContact O-CB 3.27Å; M853-L857 WeakPolarHBondContact O-CB 3.42Å; M853-L857 VanDerWaalsContact O-CG 3.31Å; M853-L857 WeakPolarHBondContact O-CG 3.28Å; M853-L857 PolarHBondContact O-N 2.69Å; N854-L857 PolarHBondContact O-N 3.48Å; D855-L857 PolarHBondContact O-N 2.74Å; L857-V859 VanDerWaalsContact C-N 3.27Å; L857-V859 PolarHBondContact O-N 3.22Å; L857-A860 PolarHBondContact O-N 3.1Å; L857-V861 HydrophobicContact CD2-CG2 4.49Å; L857-V861 WeakPolarHBondContact O-CB 3.48Å; L857-V861 WeakPolarHBondContact O-CG2 3.33Å; L857-V861 PolarHBondContact O-N 3.18Å
858	T	96.3	Very high	93	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-56.5	-47.3	175.9	-57.8	0	0	0	0	109.8	A387 L390 K391 N854 D855 N862	A387-T858 HydrophobicContact CB-CG2 4.32Å; L390-T858 HydrophobicContact CB-CG2 3.92Å; L390-T858 HydrophobicContact CD1-CG2 4.36Å; K391-T858 VanDerWaalsContact CE-OG1 3.32Å; K391-T858 WeakPolarHBondContact CE-OG1 3.47Å; K391-T858 HydrophobicContact CG-CG2 4.04Å; N854-T858 WeakPolarHBondContact O-CB 3.37Å; N854-T858 PolarHBondContact O-N 2.72Å; N854-T858 PolarHBondContact O-OG1 3.16Å; D855-T858 PolarHBondContact O-N 3.28Å; T858-N862 WeakPolarHBondContact O-CA 2.97Å; T858-N862 VanDerWaalsContact O-CB 3.31Å; T858-N862 WeakPolarHBondContact O-CB 3.49Å; T858-N862 PolarHBondContact O-N 3.07Å
859	V	96.4	Very high	93.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-68.5	-43.9	177.9	179	0	0	0	0	111.6	Y343 A346 I386 A387 L390 D855 L856 L857 V861 G863	Y343-V859 HydrophobicContact CD2-CG1 3.72Å; Y343-V859 HydrophobicContact CE2-CG1 3.55Å; A346-V859 HydrophobicContact CB-CB 3.96Å; A346-V859 HydrophobicContact CB-CG1 3.68Å; A346-V859 HydrophobicContact CB-CG2 4.35Å; I386-V859 HydrophobicContact CB-CG2 4.37Å; I386-V859 HydrophobicContact CG2-CG2 3.66Å; A387-V859 HydrophobicContact CB-CG2 4.23Å; L390-V859 HydrophobicContact CD1-CG2 4.12Å; D855-V859 WeakPolarHBondContact O-CG2 3.37Å; D855-V859 PolarHBondContact O-N 3.27Å; D855-V859 VanDerWaalsContact O-N 3.1Å; L856-V859 PolarHBondContact O-N 2.98Å; L857-V859 VanDerWaalsContact C-N 3.27Å; L857-V859 PolarHBondContact O-N 3.22Å; V859-V861 VanDerWaalsContact C-N 3.32Å; V859-V861 PolarHBondContact O-N 3.04Å; V859-G863 WeakPolarHBondContact O-CA 3.24Å; V859-G863 PolarHBondContact O-N 3.38Å
860	A	95.3	Very high	93.4	Very high	22 Å²	22	40.1 Å²	40.1	18%	0.182	24%	0.24	C	C	.	.	H	α-helix	trans	-68	-28.5	-177.1	0	0	0	0	0	114	A836 L856 L857	A836-A860 HydrophobicContact CB-CB 3.9Å; L856-A860 VanDerWaalsContact O-CB 3.24Å; L856-A860 WeakPolarHBondContact O-CB 3.49Å; L856-A860 PolarHBondContact O-N 3.37Å; L857-A860 PolarHBondContact O-N 3.1Å
861	V	94.9	Very high	93.4	Very high	27 Å²	27	37.9 Å²	37.9	16%	0.164	23%	0.228	C	C	.	.	H	α-helix	trans	-102.5	-47.7	-176	-176.7	0	0	0	0	112.3	F437 C829 A836 L857 V859	F437-V861 HydrophobicContact CB-CB 3.93Å; F437-V861 HydrophobicContact CB-CG1 3.74Å; F437-V861 HydrophobicContact CB-CG2 4.5Å; C829-V861 VanDerWaalsContact SG-CG1 3.57Å; A836-V861 HydrophobicContact CB-CG2 4.28Å; L857-V861 HydrophobicContact CD2-CG2 4.49Å; L857-V861 WeakPolarHBondContact O-CB 3.48Å; L857-V861 WeakPolarHBondContact O-CG2 3.33Å; L857-V861 PolarHBondContact O-N 3.18Å; V859-V861 VanDerWaalsContact C-N 3.32Å; V859-V861 PolarHBondContact O-N 3.04Å
862	N	95.3	Very high	93.1	Very high	25 Å²	25	39.8 Å²	39.8	13%	0.134	24%	0.235	C	C	.	.	H	α-helix	trans	-93.9	-15.1	-176.2	-57.5	-8.2	0	0	0	112.6	F437 T858	F437-N862 WeakPolarHBondContact CB-OD1 3.35Å; F437-N862 PolarHBondContact N-OD1 3.42Å; F437-N862 PolarHBondContact O-ND2 3.05Å; T858-N862 WeakPolarHBondContact O-CA 2.97Å; T858-N862 VanDerWaalsContact O-CB 3.31Å; T858-N862 WeakPolarHBondContact O-CB 3.49Å; T858-N862 PolarHBondContact O-N 3.07Å
863	G	93.4	Very high	92.8	Very high	15 Å²	15	44.5 Å²	44.5	16%	0.155	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-64.2	135.3	-178.6	0	0	0	0	0	112.1	Y343 V859	Y343-G863 WeakPolarHBondContact OH-CA 3.27Å; V859-G863 WeakPolarHBondContact O-CA 3.24Å; V859-G863 PolarHBondContact O-N 3.38Å
864	P	93.6	Very high	92.6	Very high	42 Å²	42	43.9 Å²	43.9	27%	0.273	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-65.1	165.9	173.9	29	-36.3	0	0	0	112.3	Y343 V866 N868 F869	Y343-P864 VanDerWaalsContact OH-CD 3.22Å; Y343-P864 WeakPolarHBondContact OH-CD 3.48Å; Y343-P864 PolarHBondContact OH-O 3.35Å; P864-V866 PolarHBondContact O-N 2.97Å; P864-N868 HydrophobicContact CB-CB 4.23Å; P864-F869 HydrophobicContact CG-CB 4.32Å; P864-F869 HydrophobicContact CG-CD2 4.44Å
865	P	92.2	Very high	92.1	Very high	86 Å²	86	43.7 Å²	43.7	56%	0.558	25%	0.248	S	C	*	.	P	Polyproline II helix	trans	-52.6	144.8	168.7	-24.5	34.3	0	0	0	111.1	A867 N868 F869	P865-A867 PolarHBondContact O-N 2.93Å; P865-N868 WeakPolarHBondContact O-CA 3.18Å; P865-N868 PolarHBondContact O-N 3.12Å; P865-F869 PolarHBondContact O-N 3.38Å
866	V	89.9	Confident	91.3	Very high	69 Å²	69	47 Å²	47	42%	0.418	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-51.5	-35.4	-175	179.9	0	0	0	0	113	Y343 L347 P864 N868 F869	Y343-V866 HydrophobicContact CD1-CG2 4.33Å; Y343-V866 HydrophobicContact CE1-CG2 4.14Å; L347-V866 HydrophobicContact CD2-CG2 3.44Å; L347-V866 VanDerWaalsContact CD2-CG2 3.44Å; P864-V866 PolarHBondContact O-N 2.97Å; V866-N868 PolarHBondContact O-N 2.78Å; V866-F869 PolarHBondContact O-N 3.38Å
867	A	91	Very high	90.6	Very high	99 Å²	99	47.8 Å²	47.8	82%	0.818	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-63.1	-24.2	177.5	0	0	0	0	0	114.2	P865	P865-A867 PolarHBondContact O-N 2.93Å
868	N	92.4	Very high	90	Very high	120 Å²	120	48.1 Å²	48.1	64%	0.642	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-108.3	1.2	-175.9	-63.8	-2.2	0	0	0	112.6	P864 P865 V866	P864-N868 HydrophobicContact CB-CB 4.23Å; P865-N868 WeakPolarHBondContact O-CA 3.18Å; P865-N868 PolarHBondContact O-N 3.12Å; V866-N868 PolarHBondContact O-N 2.78Å
869	F	94.1	Very high	89	Confident	27 Å²	27	50.7 Å²	50.7	12%	0.118	28%	0.284	C	S	.	.			trans	-73.1	128.4	-179.8	174.1	-112.4	0	0	0	111.1	N340 Y343 I386 P864 P865 V866 A871	N340-F869 WeakPolarHBondContact OD1-CD1 3.32Å; N340-F869 WeakPolarHBondContact OD1-CE1 3.41Å; Y343-F869 HydrophobicContact CD1-CB 3.91Å; Y343-F869 AromaticContact CD1-CD1 3.74Å; Y343-F869 HydrophobicContact CD1-CD1 3.74Å; Y343-F869 HydrophobicContact CD1-CD2 4.21Å; Y343-F869 HydrophobicContact CD1-CE1 4.34Å; Y343-F869 AromaticContact CD1-CG 3.67Å; Y343-F869 HydrophobicContact CD1-CG 3.67Å; Y343-F869 AromaticContact CD2-CD1 3.94Å; Y343-F869 HydrophobicContact CD2-CD1 3.94Å; Y343-F869 AromaticContact CD2-CD2 3.47Å; Y343-F869 HydrophobicContact CD2-CD2 3.47Å; Y343-F869 VanDerWaalsContact CD2-CD2 3.47Å; Y343-F869 AromaticContact CD2-CE1 3.86Å; Y343-F869 HydrophobicContact CD2-CE1 3.86Å; Y343-F869 AromaticContact CD2-CE2 3.4Å; Y343-F869 HydrophobicContact CD2-CE2 3.4Å; Y343-F869 VanDerWaalsContact CD2-CE2 3.4Å; Y343-F869 AromaticContact CD2-CG 3.75Å; Y343-F869 HydrophobicContact CD2-CG 3.75Å; Y343-F869 AromaticContact CD2-CZ 3.6Å; Y343-F869 HydrophobicContact CD2-CZ 3.6Å; Y343-F869 HydrophobicContact CE1-CB 3.66Å; Y343-F869 HydrophobicContact CE1-CD1 4.32Å; Y343-F869 HydrophobicContact CE1-CD2 4.12Å; Y343-F869 AromaticContact CE1-CG 3.76Å; Y343-F869 HydrophobicContact CE1-CG 3.76Å; Y343-F869 HydrophobicContact CE2-CB 4.45Å; Y343-F869 HydrophobicContact CE2-CD1 4.48Å; Y343-F869 AromaticContact CE2-CD2 3.35Å; Y343-F869 HydrophobicContact CE2-CD2 3.35Å; Y343-F869 AromaticContact CE2-CE2 3.62Å; Y343-F869 HydrophobicContact CE2-CE2 3.62Å; Y343-F869 AromaticContact CE2-CG 3.84Å; Y343-F869 HydrophobicContact CE2-CG 3.84Å; Y343-F869 HydrophobicContact CE2-CZ 4.29Å; Y343-F869 HydrophobicContact CG-CB 4.41Å; Y343-F869 AromaticContact CG-CD1 3.54Å; Y343-F869 HydrophobicContact CG-CD1 3.54Å; Y343-F869 AromaticContact CG-CD2 3.91Å; Y343-F869 HydrophobicContact CG-CD2 3.91Å; Y343-F869 AromaticContact CG-CE1 3.66Å; Y343-F869 HydrophobicContact CG-CE1 3.66Å; Y343-F869 HydrophobicContact CG-CE2 4.04Å; Y343-F869 AromaticContact CG-CG 3.67Å; Y343-F869 HydrophobicContact CG-CG 3.67Å; Y343-F869 AromaticContact CG-CZ 3.92Å; Y343-F869 HydrophobicContact CG-CZ 3.92Å; Y343-F869 AromaticContact CZ-CD2 3.7Å; Y343-F869 AromaticContact CZ-CG 3.85Å; I386-F869 HydrophobicContact CD1-CZ 4.22Å; I386-F869 HydrophobicContact CG1-CZ 4.12Å; I386-F869 HydrophobicContact CG2-CE2 4Å; I386-F869 HydrophobicContact CG2-CZ 4.08Å; P864-F869 HydrophobicContact CG-CB 4.32Å; P864-F869 HydrophobicContact CG-CD2 4.44Å; P865-F869 PolarHBondContact O-N 3.38Å; V866-F869 PolarHBondContact O-N 3.38Å; F869-A871 HydrophobicContact CE1-CB 3.87Å; F869-A871 HydrophobicContact CZ-CB 4.19Å
870	D	90.2	Very high	87.7	Confident	114 Å²	114	56.1 Å²	56.1	61%	0.61	31%	0.309	S	S	*	.			trans	-111.5	114.1	173.1	-178.3	9.5	0	0	0	110.4	K872	D870-K872 PolarHBondContact O-N 2.57Å; D870-K872 VanDerWaalsContact OD1-CB 3.22Å; D870-K872 WeakPolarHBondContact OD1-CB 3.25Å; D870-K872 PolarHBondContact OD1-N 3.11Å
871	A	89.9	Confident	86.4	Confident	1 Å²	1	59 Å²	59	1%	0.008	32%	0.319	C	S	.	.			trans	-74.8	-9.4	-179.7	0	0	0	0	0	113.9	T336 F339 F869 R873 A874 L875	T336-A871 HydrophobicContact CG2-CB 4.1Å; F339-A871 HydrophobicContact CB-CB 3.74Å; F339-A871 HydrophobicContact CG-CB 4.37Å; F869-A871 HydrophobicContact CE1-CB 3.87Å; F869-A871 HydrophobicContact CZ-CB 4.19Å; A871-R873 PolarHBondContact O-N 3.39Å; A871-A874 PolarHBondContact O-N 2.88Å; A871-L875 WeakPolarHBondContact O-CB 3.45Å; A871-L875 PolarHBondContact O-N 3Å
872	K	85.3	Confident	85	Confident	128 Å²	128	63.5 Å²	63.5	56%	0.557	34%	0.336	S	S	*	.	H	α-helix	trans	-55.5	-51.5	-168.9	-175.3	179.7	177.5	-175.8	0	113.7	D870 A874 L875 D876	D870-K872 PolarHBondContact O-N 2.57Å; D870-K872 VanDerWaalsContact OD1-CB 3.22Å; D870-K872 WeakPolarHBondContact OD1-CB 3.25Å; D870-K872 PolarHBondContact OD1-N 3.11Å; K872-A874 VanDerWaalsContact C-N 3.33Å; K872-A874 PolarHBondContact O-N 3.13Å; K872-L875 WeakPolarHBondContact O-CB 3.38Å; K872-L875 PolarHBondContact O-N 3.38Å; K872-D876 VanDerWaalsContact O-CG 3.27Å; K872-D876 PolarHBondContact O-N 2.97Å
873	R	85.6	Confident	82.9	Confident	121 Å²	121	64.7 Å²	64.7	46%	0.457	35%	0.347	S	S	.	.	H	α-helix	trans	-60.6	-41.3	179.9	-78.5	-179.3	164.8	180	-16.8	112.3	A389 E393 E396 A871 S877	A389-R873 HydrophobicContact CB-CB 3.99Å; E393-R873 IonicContact OE2-NH1 2.96Å; E393-R873 PolarHBondContact OE2-NH1 2.65Å; E396-R873 IonicContact OE1-NH2 2.64Å; E396-R873 IonicContact OE2-CZ 3.57Å; E396-R873 IonicContact OE2-NH1 3.11Å; E396-R873 IonicContact OE2-NH2 3.62Å; E396-R873 PolarHBondContact OE2-NH2 2.92Å; A871-R873 PolarHBondContact O-N 3.39Å; R873-S877 PolarHBondContact O-N 3.02Å; R873-S877 VanDerWaalsContact O-N 3.09Å
874	A	88.8	Confident	80.7	Confident	2 Å²	2	66.5 Å²	66.5	2%	0.017	37%	0.365	C	S	.	.	H	α-helix	trans	-67.8	-39.1	178	0	0	0	0	0	111.9	F339 H385 I386 A389 A871 K872 S877 W878	F339-A874 HydrophobicContact CD1-CB 3.93Å; F339-A874 HydrophobicContact CE1-CB 3.69Å; H385-A874 HydrophobicContact CB-CB 4.48Å; I386-A874 HydrophobicContact CB-CB 4.47Å; I386-A874 HydrophobicContact CG1-CB 3.98Å; A389-A874 HydrophobicContact CB-CB 4.21Å; A871-A874 PolarHBondContact O-N 2.88Å; K872-A874 VanDerWaalsContact C-N 3.33Å; K872-A874 PolarHBondContact O-N 3.13Å; A874-S877 PolarHBondContact O-N 3.37Å; A874-W878 WeakPolarHBondContact O-CB 3.32Å; A874-W878 PolarHBondContact O-N 3.11Å
875	L	83.6	Confident	78.2	Confident	8 Å²	8	69.1 Å²	69.1	4%	0.042	38%	0.384	C	S	.	.	H	α-helix	trans	-66	-44	177.2	-173.6	69.7	0	0	0	111.5	C332 M335 F339 A871 K872 W878 F879	C332-L875 HydrophobicContact CB-CD2 3.91Å; M335-L875 HydrophobicContact CB-CD1 3.59Å; F339-L875 HydrophobicContact CD2-CD1 3.83Å; F339-L875 HydrophobicContact CE2-CB 4.44Å; F339-L875 HydrophobicContact CE2-CD1 3.57Å; A871-L875 WeakPolarHBondContact O-CB 3.45Å; A871-L875 PolarHBondContact O-N 3Å; K872-L875 WeakPolarHBondContact O-CB 3.38Å; K872-L875 PolarHBondContact O-N 3.38Å; L875-W878 HydrophobicContact CD1-CE3 4.47Å; L875-W878 PolarHBondContact O-N 3.3Å; L875-F879 HydrophobicContact CD1-CD2 4.1Å; L875-F879 HydrophobicContact CD1-CE2 3.64Å; L875-F879 HydrophobicContact CD2-CE2 4.01Å; L875-F879 HydrophobicContact CG-CD2 3.8Å; L875-F879 HydrophobicContact CG-CE2 3.58Å; L875-F879 VanDerWaalsContact O-CD2 3.23Å; L875-F879 WeakPolarHBondContact O-CD2 3.36Å; L875-F879 PolarHBondContact O-N 2.92Å
876	D	79.1	Confident	75.4	Confident	77 Å²	77	69.2 Å²	69.2	41%	0.412	39%	0.387	S	S	.	.	H	α-helix	trans	-59.2	-47.9	175.8	-70.4	-24.1	0	0	0	110.3	K872 W878 F879 E880	K872-D876 VanDerWaalsContact O-CG 3.27Å; K872-D876 PolarHBondContact O-N 2.97Å; D876-W878 VanDerWaalsContact C-N 3.33Å; D876-W878 PolarHBondContact O-N 3.34Å; D876-F879 PolarHBondContact O-N 3.18Å; D876-E880 WeakPolarHBondContact O-CG 3.16Å; D876-E880 PolarHBondContact O-N 3.45Å
877	S	80.6	Confident	72.8	Confident	18 Å²	18	76.2 Å²	76.2	13%	0.126	41%	0.408	C	S	.	.	H	α-helix	trans	-56.1	-44.4	174.7	178.2	0	0	0	0	112.6	H385 R873 A874 E880 E881	H385-S877 PolarHBondContact ND1-OG 2.86Å; R873-S877 PolarHBondContact O-N 3.02Å; R873-S877 VanDerWaalsContact O-N 3.09Å; A874-S877 PolarHBondContact O-N 3.37Å; S877-E880 PolarHBondContact O-N 3.08Å; S877-E881 PolarHBondContact O-N 3.37Å
878	W	82.8	Confident	70.4	Confident	9 Å²	9	76.5 Å²	76.5	3%	0.034	40%	0.404	C	S	.	.	H	α-helix	trans	-66.1	-40.7	178.3	178.9	85.7	0	0	0	112.8	M335 F339 Y373 H385 A874 L875 D876 E881 K882	M335-W878 HydrophobicContact CE-CH2 4.02Å; M335-W878 HydrophobicContact CE-CZ2 3.99Å; M335-W878 HydrophobicContact CE-CZ3 4.34Å; M335-W878 HydrophobicContact CG-CH2 4.41Å; M335-W878 HydrophobicContact CG-CZ3 4.3Å; M335-W878 HydrophobicContact SD-CH2 4.32Å; F339-W878 HydrophobicContact CE2-CB 4.43Å; F339-W878 HydrophobicContact CE2-CG 4.45Å; F339-W878 HydrophobicContact CZ-CB 3.85Å; F339-W878 HydrophobicContact CZ-CG 4.11Å; Y373-W878 HydrophobicContact CD1-CZ2 4.34Å; Y373-W878 HydrophobicContact CE1-CH2 4.34Å; Y373-W878 AromaticContact CE1-CZ2 3.69Å; Y373-W878 HydrophobicContact CE1-CZ2 3.69Å; Y373-W878 HydrophobicContact CE2-CH2 4.14Å; Y373-W878 HydrophobicContact CE2-CZ2 4.25Å; Y373-W878 AromaticContact CZ-CH2 3.81Å; Y373-W878 AromaticContact CZ-CZ2 3.63Å; H385-W878 AromaticContact CD2-CD1 3.52Å; H385-W878 AromaticContact NE2-CD1 3.54Å; A874-W878 WeakPolarHBondContact O-CB 3.32Å; A874-W878 PolarHBondContact O-N 3.11Å; L875-W878 HydrophobicContact CD1-CE3 4.47Å; L875-W878 PolarHBondContact O-N 3.3Å; D876-W878 VanDerWaalsContact C-N 3.33Å; D876-W878 PolarHBondContact O-N 3.34Å; W878-E881 PolarHBondContact O-N 3.42Å; W878-K882 HydrophobicContact CD2-CG 4.2Å; W878-K882 HydrophobicContact CH2-CG 4.41Å; W878-K882 HydrophobicContact CZ2-CG 4.02Å; W878-K882 WeakPolarHBondContact O-CG 3.41Å; W878-K882 PolarHBondContact O-N 3.3Å; W878-K882 VanDerWaalsContact O-N 3.07Å
879	F	75.4	Confident	67.9	Low	55 Å²	55	77.2 Å²	77.2	24%	0.241	41%	0.407	C	S	.	.	H	α-helix	trans	-66.4	-37.7	176.3	-85.6	-64.6	0	0	0	112.7	M331 C332 L875 D876 E881 K882 S883	M331-F879 HydrophobicContact CG-CZ 4.26Å; C332-F879 WeakPolarHBondContact SG-CE2 3.09Å; L875-F879 HydrophobicContact CD1-CD2 4.1Å; L875-F879 HydrophobicContact CD1-CE2 3.64Å; L875-F879 HydrophobicContact CD2-CE2 4.01Å; L875-F879 HydrophobicContact CG-CD2 3.8Å; L875-F879 HydrophobicContact CG-CE2 3.58Å; L875-F879 VanDerWaalsContact O-CD2 3.23Å; L875-F879 WeakPolarHBondContact O-CD2 3.36Å; L875-F879 PolarHBondContact O-N 2.92Å; D876-F879 PolarHBondContact O-N 3.18Å; F879-E881 VanDerWaalsContact C-N 3.34Å; F879-E881 PolarHBondContact O-N 3.1Å; F879-K882 PolarHBondContact O-N 3.35Å; F879-S883 WeakPolarHBondContact O-CB 3.37Å; F879-S883 PolarHBondContact O-N 3.1Å; F879-S883 PolarHBondContact O-OG 2.85Å
880	E	68.6	Low	65.6	Low	113 Å²	113	78 Å²	78	53%	0.528	42%	0.416	S	S	.	.	H	α-helix	trans	-60.9	-43.1	176.2	-75.3	-176.7	174.3	0	0	111.9	D876 S877 S883 S885	D876-E880 WeakPolarHBondContact O-CG 3.16Å; D876-E880 PolarHBondContact O-N 3.45Å; S877-E880 PolarHBondContact O-N 3.08Å; E880-S883 PolarHBondContact O-OG 3.48Å; E880-S885 PolarHBondContact O-N 3.27Å
881	E	68.9	Low	63	Low	84 Å²	84	76 Å²	76	39%	0.393	42%	0.415	S	S	.	.	H	α-helix	trans	-66	-47.1	176.1	-173.2	170.8	171.2	0	0	111.5	H385 S877 W878 F879 S883 G884 S890	H385-E881 IonicContact CE1-OE2 3.31Å; H385-E881 PolarHBondContact CE1-OE2 2.94Å; H385-E881 IonicContact NE2-OE2 3.04Å; H385-E881 PolarHBondContact NE2-OE2 3.49Å; S877-E881 PolarHBondContact O-N 3.37Å; W878-E881 PolarHBondContact O-N 3.42Å; F879-E881 VanDerWaalsContact C-N 3.34Å; F879-E881 PolarHBondContact O-N 3.1Å; E881-S883 VanDerWaalsContact C-N 3.29Å; E881-S883 PolarHBondContact O-N 3.27Å; E881-G884 PolarHBondContact O-N 3.3Å; E881-S890 WeakPolarHBondContact OE1-CB 3.44Å; E881-S890 PolarHBondContact OE1-OG 3.44Å; E881-S890 VanDerWaalsContact OE1-OG 3.14Å
882	K	63.6	Low	60.3	Low	120 Å²	120	82 Å²	82	52%	0.522	44%	0.443	S	S	.	.	H	α-helix	trans	-67.6	-26.8	179.8	-67.9	-63	-176.1	-173.4	0	113.8	W878 F879 G884	W878-K882 HydrophobicContact CD2-CG 4.2Å; W878-K882 HydrophobicContact CH2-CG 4.41Å; W878-K882 HydrophobicContact CZ2-CG 4.02Å; W878-K882 WeakPolarHBondContact O-CG 3.41Å; W878-K882 PolarHBondContact O-N 3.3Å; W878-K882 VanDerWaalsContact O-N 3.07Å; F879-K882 PolarHBondContact O-N 3.35Å; K882-G884 VanDerWaalsContact C-N 3.27Å; K882-G884 PolarHBondContact O-N 2.83Å
883	S	52	Low	58.4	Low	51 Å²	51	78.3 Å²	78.3	36%	0.357	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-5.2	177.8	66.3	0	0	0	0	113.8	F879 E880 E881 S885	F879-S883 WeakPolarHBondContact O-CB 3.37Å; F879-S883 PolarHBondContact O-N 3.1Å; F879-S883 PolarHBondContact O-OG 2.85Å; E880-S883 PolarHBondContact O-OG 3.48Å; E881-S883 VanDerWaalsContact C-N 3.29Å; E881-S883 PolarHBondContact O-N 3.27Å; S883-S885 VanDerWaalsContact C-N 3.35Å
884	G	46.5	Very low	56.2	Low	53 Å²	53	77.9 Å²	77.9	55%	0.546	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	22.4	176.5	0	0	0	0	0	114.1	E881 K882 S886	E881-G884 PolarHBondContact O-N 3.3Å; K882-G884 VanDerWaalsContact C-N 3.27Å; K882-G884 PolarHBondContact O-N 2.83Å; G884-S886 VanDerWaalsContact C-N 3.32Å
885	S	41.3	Very low	53.7	Low	96 Å²	96	83.1 Å²	83.1	67%	0.671	47%	0.465	S	S	*	.			trans	-78.4	-15.5	-180	-165.9	0	0	0	0	113.4	E880 S883	E880-S885 PolarHBondContact O-N 3.27Å; S883-S885 VanDerWaalsContact C-N 3.35Å
886	S	34.3	Very low	51.7	Low	88 Å²	88	92 Å²	92	62%	0.615	50%	0.498	S	S	*	.	S	Bend	trans	-113.4	110.7	174.3	-68.4	0	0	0	0	110.4	G884	G884-S886 VanDerWaalsContact C-N 3.32Å
887	Y	35.9	Very low	49.7	Very low	216 Å²	216	93.4 Å²	93.4	85%	0.847	50%	0.503	S	S	*	.			trans	-72.8	138.9	161.6	-108.1	-98.6	0	0	0	108.8
888	S	40.3	Very low	47.4	Very low	105 Å²	105	96.5 Å²	96.5	73%	0.734	52%	0.524	S	S	*	.	S	Bend	trans	60.1	102.1	165.4	59	0	0	0	0	117.9
889	L	38.4	Very low	45	Very low	135 Å²	135	103.1 Å²	103.1	71%	0.707	56%	0.561	S	S	*	*	S	Bend	trans	-168	-29.2	140	-98.3	163.9	0	0	0	110.7
890	S	45.6	Very low	42.8	Very low	45 Å²	45	104.7 Å²	104.7	32%	0.315	58%	0.584	S	S	.	*	H	α-helix	trans	-78	-23.2	-176.2	-142.5	0	0	0	0	115	E881 E892 V893 L894	E881-S890 WeakPolarHBondContact OE1-CB 3.44Å; E881-S890 PolarHBondContact OE1-OG 3.44Å; E881-S890 VanDerWaalsContact OE1-OG 3.14Å; S890-E892 VanDerWaalsContact C-N 3.32Å; S890-E892 PolarHBondContact O-N 2.91Å; S890-V893 PolarHBondContact O-N 3.26Å; S890-L894 WeakPolarHBondContact O-CB 3.49Å; S890-L894 PolarHBondContact O-N 2.99Å
891	A	35.6	Very low	40.8	Very low	70 Å²	70	106.8 Å²	106.8	58%	0.579	60%	0.599	S	S	*	*	H	α-helix	trans	-69.4	-28.2	178.5	0	0	0	0	0	113.1	N895	A891-N895 VanDerWaalsContact O-CB 3.3Å; A891-N895 WeakPolarHBondContact O-CB 3.48Å; A891-N895 PolarHBondContact O-N 2.81Å; A891-N895 PolarHBondContact O-ND2 2.89Å
892	E	35.2	Very low	39.1	Very low	129 Å²	129	108.5 Å²	108.5	60%	0.603	62%	0.617	S	S	*	*	H	α-helix	trans	-77.6	-33.1	171.8	-85.5	-178.9	131.2	0	0	112.3	S890 R896	S890-E892 VanDerWaalsContact C-N 3.32Å; S890-E892 PolarHBondContact O-N 2.91Å; E892-R896 WeakPolarHBondContact O-CB 3.5Å; E892-R896 VanDerWaalsContact O-CG 3.25Å; E892-R896 WeakPolarHBondContact O-CG 3.4Å; E892-R896 PolarHBondContact O-N 3.48Å; E892-R896 VanDerWaalsContact O-N 3.07Å
893	V	43.9	Very low	37.3	Very low	50 Å²	50	112.8 Å²	112.8	30%	0.303	64%	0.636	S	S	.	*	H	α-helix	trans	-71.4	-45.8	177.3	178.6	0	0	0	0	110.6	S890 R896 M897	S890-V893 PolarHBondContact O-N 3.26Å; V893-R896 PolarHBondContact O-N 3.05Å; V893-M897 HydrophobicContact CG1-SD 4.07Å; V893-M897 WeakPolarHBondContact O-CG 2.97Å; V893-M897 PolarHBondContact O-N 3.27Å; V893-M897 VanDerWaalsContact O-N 3.16Å
894	L	40.1	Very low	36.1	Very low	111 Å²	111	116.1 Å²	116.1	58%	0.581	66%	0.659	S	S	*	*	H	α-helix	trans	-64.9	-39.3	176.1	-89.1	146.7	0	0	0	112.9	S890 M897 S898	S890-L894 WeakPolarHBondContact O-CB 3.49Å; S890-L894 PolarHBondContact O-N 2.99Å; L894-M897 PolarHBondContact O-N 3.13Å; L894-S898 PolarHBondContact O-OG 3.08Å
895	N	36.5	Very low	35	Very low	113 Å²	113	117.1 Å²	117.1	60%	0.604	67%	0.669	S	S	*	*	H	α-helix	trans	-71.8	-30.1	176.8	-81.2	-12.6	0	0	0	113	A891 M897 S898	A891-N895 VanDerWaalsContact O-CB 3.3Å; A891-N895 WeakPolarHBondContact O-CB 3.48Å; A891-N895 PolarHBondContact O-N 2.81Å; A891-N895 PolarHBondContact O-ND2 2.89Å; N895-M897 VanDerWaalsContact C-N 3.29Å; N895-S898 PolarHBondContact O-OG 3.19Å
896	R	41.3	Very low	34.2	Very low	195 Å²	195	120.1 Å²	120.1	74%	0.736	68%	0.677	S	S	*	*	H	α-helix	trans	-74.4	-18.1	172.8	-76.1	-178	-177.3	-168.3	4.5	113.5	E892 V893	E892-R896 WeakPolarHBondContact O-CB 3.5Å; E892-R896 VanDerWaalsContact O-CG 3.25Å; E892-R896 WeakPolarHBondContact O-CG 3.4Å; E892-R896 PolarHBondContact O-N 3.48Å; E892-R896 VanDerWaalsContact O-N 3.07Å; V893-R896 PolarHBondContact O-N 3.05Å
897	M	37.9	Very low	33.7	Very low	105 Å²	105	125.1 Å²	125.1	52%	0.517	69%	0.69	S	S	.	*	H	α-helix	trans	-85.2	-17.2	177.8	-71.3	174.1	88.9	0	0	113.5	V893 L894 N895	V893-M897 HydrophobicContact CG1-SD 4.07Å; V893-M897 WeakPolarHBondContact O-CG 2.97Å; V893-M897 PolarHBondContact O-N 3.27Å; V893-M897 VanDerWaalsContact O-N 3.16Å; L894-M897 PolarHBondContact O-N 3.13Å; N895-M897 VanDerWaalsContact C-N 3.29Å
898	S	31.4	Very low	33	Very low	83 Å²	83	120.3 Å²	120.3	58%	0.58	69%	0.688	S	S	*	*	H	α-helix	trans	-94.9	-23.4	179.2	40.9	0	0	0	0	114.8	L894 N895	L894-S898 PolarHBondContact O-OG 3.08Å; N895-S898 PolarHBondContact O-OG 3.19Å
899	D	32.1	Very low	32.2	Very low	148 Å²	148	118.4 Å²	118.4	79%	0.791	69%	0.685	S	S	*	*			trans	-105.7	76.9	179.3	-80.6	-25	0	0	0	111.7
900	A	30.4	Very low	31.4	Very low	88 Å²	88	119 Å²	119	73%	0.727	69%	0.688	S	S	*	*			trans	-146.9	64.3	165.1	0	0	0	0	0	111.1
901	D	26.5	Very low	30.3	Very low	158 Å²	158	123.4 Å²	123.4	85%	0.845	71%	0.707	S	S	*	*			trans	-120.4	130.7	154.7	-104.9	-22.5	0	0	0	108.7	K903	D901-K903 PolarHBondContact O-N 3.26Å
902	P	32.2	Very low	29.7	Very low	120 Å²	120	126.6 Å²	126.6	78%	0.779	72%	0.715	S	S	*	*			trans	-86.9	117.4	-173.8	33.1	-29.6	0	0	0	110.5
903	K	26.2	Very low	29.1	Very low	209 Å²	209	125.8 Å²	125.8	91%	0.909	72%	0.718	S	S	*	*			trans	-128.2	103	148.9	-82.6	-171.6	178.9	175.6	0	109.3	D901 G905	D901-K903 PolarHBondContact O-N 3.26Å; K903-G905 PolarHBondContact O-N 3.06Å
904	S	26	Very low	28.2	Very low	122 Å²	122	132.2 Å²	132.2	85%	0.853	75%	0.745	S	S	*	*			trans	-61.5	121.2	166.1	51	0	0	0	0	110.6
905	G	23.1	Very low	27.5	Very low	73 Å²	73	137.2 Å²	137.2	75%	0.753	76%	0.758	S	S	*	*			trans	-117.7	106.3	160	0	0	0	0	0	108.6	K903	K903-G905 PolarHBondContact O-N 3.06Å
906	L	24.8	Very low	27.2	Very low	159 Å²	159	143.3 Å²	143.3	83%	0.832	79%	0.789	S	S	*	*			trans	-55.9	130.8	169.6	-83.4	128.3	0	0	0	110.7
907	H	25	Very low	26.5	Very low	194 Å²	194	140.8 Å²	140.8	90%	0.898	79%	0.792	S	S	*	*			trans	-133.2	113.3	143.4	-92.3	-62.5	0	0	0	109.3
908	S	20.9	Very low	25.9	Very low	115 Å²	115	142.6 Å²	142.6	80%	0.804	81%	0.807	S	S	*	*			trans	-75.6	147.7	165.6	58.8	0	0	0	0	110.8
909	G	22.3	Very low	25.6	Very low	64 Å²	64	145.9 Å²	145.9	66%	0.66	82%	0.819	S	S	*	*			trans	138.2	117	149.6	0	0	0	0	0	115.8
910	D	22	Very low	25.2	Very low	147 Å²	147	145.8 Å²	145.8	79%	0.786	82%	0.821	S	S	*	*			trans	82.1	102.6	151.5	-56.1	-20.6	0	0	0	118.1
911	I	23.8	Very low	24.9	Very low	138 Å²	138	149.4 Å²	149.4	71%	0.708	83%	0.827	S	S	*	*				78.9	125.5	77.3	-70.7	169.5	0	0	0	112.2
912	N	21.8	Very low	24.8	Very low	138 Å²	138	148.9 Å²	148.9	74%	0.738	83%	0.825	S	S	*	*			trans	99.8	111.9	154	-81.3	-9.8	0	0	0	120.8
913	T	23.3	Very low	24.2	Very low	111 Å²	111	150.9 Å²	150.9	68%	0.681	83%	0.829	S	S	*	*			trans	46.3	124.3	131.1	30.8	0	0	0	0	119.5
914	E	24.6	Very low	24.1	Very low	186 Å²	186	146.5 Å²	146.5	87%	0.869	82%	0.822	S	S	*	*				-177.6	159.4	90.5	-119	167.1	-164	0	0	112.8
915	Y	25.5	Very low	23.9	Very low	215 Å²	215	148.5 Å²	148.5	84%	0.843	82%	0.82	S	S	*	*			trans	-67.7	143.8	-175	-81.2	-111	0	0	0	114.6
916	L	30.3	Very low	24	Very low	242 Å²	242	155.4 Å²	155.4	100%	1.267	83%	0.826	S	S	*	*				-178.4	0	109.1	-107.1	156	0	0	0	111.5

Retrieved 916 of 916 residues in 3545.3 ms (Link to these results)

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