A0A077Z6W7_TRITR Loading...

GTPase activating protein pac 1

AlphaFold DB , UniProt , Accession A0A077Z6W7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,121 aa.

						>A0A077Z6W7_TRITR|A0A077Z6W7
MLAGPRFVRRRNGRREKRITRFINLYNSSQVSSMRANIGEGRLGEAQDDSCSLSPSCSSSLSDSSIPKAAGPQPSAPLSVGATAPTQSDTIYREGILYHKQPSNSGRSSHDRSWQLYWAFLIDHTLHLCPEKSMLAVSPTSVAAQKFVHFIREKASLSIDVRSCIADIAYNQVKRKSVFRCITVKQSEHLFQAVDDKDMIGWIEALQSCAKGAEQVLPPLARNGHLFDVDGGLGGAHASTRRRCLVGIMANWALRPLAHLCIRGCDRSGASFNEMPFNQRQLVDAIVSTRPFYCNYMKKTTVLLVYGCYVSPAPCESLFKETVSPSSLALIIKRYERQSHSSSSSVSPSVKLKKSVQSPSVKGGALKAMAEEGAPEQAPPPPPPAPPAASSSQQPHHSEATLKRVRKWCKTRFPAAANTATVATSQTLRDDQNRPCSAVFGLHLEDCLTTGETDYVPLIIQLCVKVVEAYGLDTVGVYRIPGNTAAVNTLSASLDQGFEFVEFDDIRWRDVNVVSSLLKAFFRKLPDPLLTSNLYRHFIEANRIESPELRLKTLRDLVRKLPRHNYETLRYLMHHLNRVVAHSAINKVLPARLITCMLGMILVRLFKMEAKNLALMFGPSLVRPSGENMVAMVTHMSDQCKIVESLIVYSSWNFSAVGYLARIRPSNRSTLQALRLDNCWTLSAIPNEVLLTNRSLVQSIRIVTFAGFVDLKKAKENIVKNLVNVRAVKNECTPVPQTALSGSPCDERNIDEEIARAYRLDSLNEASSGGGGGTIYDEQMSRSVLPESTRELIEAAEDYKRSREEQIYTARRIFIAGGTPTESVDNKINLLAQHCRHLNINNADSLDVLSPETREKIKQFQRGHPLWTSGRAPLNFPQGPSAMTTSQQVDADLLELRGRGNSLSRSRPLGMSSSCDSLDEAHFAGGGGHPSPTSKSYDFAGTQLSEAVATKEAGNDVEDNGKQQHQQSLLNRGRLRHVKPEFSFFRRTVANDCPPTGQSEGGESRHEGASKEGRQHQHRQYNIGNLLKFSRKAAALPQERRRDLRRHTLGSMETEQFRSGRRQLRHKVFNDDEEGDHDDDGGRGDEPVQLWLKESPLRRSNPDMSSPSVPSMGDRPLWVHS
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.7	Very low	29.6	Very low	229 Å²	229	168 Å²	168	100%	1.128	82%	0.823	S	S	*	*				0	125.7	0	-69.3	178.4	173.7	0	0	108.7
2	L	28.2	Very low	30.5	Very low	180 Å²	180	157.5 Å²	157.5	94%	0.942	77%	0.773	S	S	*	*			trans	-134.7	61.7	-167.2	-75.6	163.7	0	0	0	112.1
3	A	29.9	Very low	31.3	Very low	114 Å²	114	147.4 Å²	147.4	94%	0.942	73%	0.734	S	S	*	*			trans	-100.1	62.1	-170.9	0	0	0	0	0	120.2
4	G	27.7	Very low	32.3	Very low	62 Å²	62	151.6 Å²	151.6	64%	0.639	74%	0.738	S	S	*	*			trans	114.7	169	168.8	0	0	0	0	0	116.7
5	P	30.6	Very low	33.2	Very low	112 Å²	112	149.4 Å²	149.4	73%	0.727	72%	0.718	S	S	*	*	S	Bend	cis	-105.4	48.3	2.6	40.3	-32.9	0	0	0	113.4	F7	P5-F7 VanDerWaalsContact C-N 3.25Å; P5-F7 PolarHBondContact O-N 3.45Å
6	R	29.6	Very low	34.1	Very low	227 Å²	227	144.4 Å²	144.4	86%	0.857	69%	0.693	S	S	*	*	H	α-helix	trans	-62.7	-22.9	-177.1	-74.5	-174.2	174.4	-176.9	-1.9	115
7	F	26.6	Very low	35.1	Very low	194 Å²	194	145.1 Å²	145.1	85%	0.851	69%	0.692	S	S	*	*	H	α-helix	trans	-73.4	-29.4	-174.7	-119.4	-95.7	0	0	0	114.7	P5	P5-F7 VanDerWaalsContact C-N 3.25Å; P5-F7 PolarHBondContact O-N 3.45Å
8	V	31.1	Very low	36	Very low	92 Å²	92	146.4 Å²	146.4	56%	0.558	69%	0.689	S	S	*	*	H	α-helix	trans	-70.3	-45.5	-177.9	-177.2	0	0	0	0	111.1	R10 R11 N12	V8-R10 VanDerWaalsContact C-N 3.3Å; V8-R10 PolarHBondContact O-N 2.97Å; V8-R11 PolarHBondContact O-N 3.45Å; V8-N12 PolarHBondContact O-N 3.24Å
9	R	30.1	Very low	36.7	Very low	222 Å²	222	139.2 Å²	139.2	84%	0.838	66%	0.656	S	S	*	*	H	α-helix	trans	-55.8	-39.5	178.7	-89.3	-175.5	165.3	-178.2	-6.4	113.2	R11 N12 G13	R9-R11 VanDerWaalsContact C-N 3.3Å; R9-R11 PolarHBondContact O-N 3.35Å; R9-N12 PolarHBondContact O-N 3.29Å; R9-G13 PolarHBondContact O-N 3.2Å; R9-G13 VanDerWaalsContact O-N 3.13Å
10	R	29.2	Very low	37.4	Very low	220 Å²	220	135.3 Å²	135.3	83%	0.83	64%	0.641	S	S	*	*	H	α-helix	trans	-66.8	-25.7	177.7	-92.4	-169.6	171.4	-168.5	-2.2	113.8	V8	V8-R10 VanDerWaalsContact C-N 3.3Å; V8-R10 PolarHBondContact O-N 2.97Å
11	R	31.6	Very low	38	Very low	196 Å²	196	137.9 Å²	137.9	74%	0.74	65%	0.645	S	S	*	*	H	α-helix	trans	-81.8	-39.9	176.5	-119.5	177.9	-177.2	174.3	1.5	111.8	V8 R9 R14	V8-R11 PolarHBondContact O-N 3.45Å; R9-R11 VanDerWaalsContact C-N 3.3Å; R9-R11 PolarHBondContact O-N 3.35Å; R11-R14 PolarHBondContact O-N 3.29Å
12	N	40.5	Very low	39	Very low	42 Å²	42	128 Å²	128	23%	0.225	60%	0.596	C	S	.	*	H	α-helix	trans	-65.7	-42.3	177.5	-69.5	24.2	0	0	0	111.9	V8 R9 R14 R15 E16 Y98	V8-N12 PolarHBondContact O-N 3.24Å; R9-N12 PolarHBondContact O-N 3.29Å; N12-R14 PolarHBondContact O-N 2.99Å; N12-R15 WeakPolarHBondContact O-CA 3.42Å; N12-R15 WeakPolarHBondContact O-CB 3.5Å; N12-R15 PolarHBondContact O-N 3.48Å; N12-E16 WeakPolarHBondContact O-CG 3.38Å; N12-E16 PolarHBondContact O-N 3.24Å; N12-Y98 PolarHBondContact ND2-OH 3.29Å; N12-Y98 VanDerWaalsContact ND2-OH 3.07Å
13	G	40.9	Very low	40	Very low	26 Å²	26	119.8 Å²	119.8	27%	0.268	55%	0.553	S	S	.	*	H	α-helix	trans	-61.8	-15	178.1	0	0	0	0	0	116.2	R9 E16 K17	R9-G13 PolarHBondContact O-N 3.2Å; R9-G13 VanDerWaalsContact O-N 3.13Å; G13-E16 VanDerWaalsContact CA-OE2 3.31Å; G13-E16 WeakPolarHBondContact CA-OE2 3.42Å; G13-E16 PolarHBondContact N-OE2 3.36Å; G13-K17 WeakPolarHBondContact O-CG 3.43Å
14	R	45.1	Very low	41	Very low	207 Å²	207	119 Å²	119	78%	0.781	53%	0.533	S	S	*	.	H	α-helix	trans	-91.1	-17.4	169.4	-83.4	-170.2	173	-170.7	-1.2	113.6	R11 N12	R11-R14 PolarHBondContact O-N 3.29Å; N12-R14 PolarHBondContact O-N 2.99Å
15	R	45.6	Very low	42.1	Very low	118 Å²	118	120.9 Å²	120.9	45%	0.445	53%	0.528	S	S	.	.	H	α-helix	trans	-87.5	-49	174.8	-69.8	176.1	172.5	-142.9	4.2	111	N12 K17 R18 I19 E131	N12-R15 WeakPolarHBondContact O-CA 3.42Å; N12-R15 WeakPolarHBondContact O-CB 3.5Å; N12-R15 PolarHBondContact O-N 3.48Å; R15-K17 PolarHBondContact O-N 3.03Å; R15-R18 WeakPolarHBondContact O-CA 3.49Å; R15-R18 VanDerWaalsContact O-CB 3.3Å; R15-R18 WeakPolarHBondContact O-CB 3.22Å; R15-R18 PolarHBondContact O-N 3.04Å; R15-I19 PolarHBondContact O-N 3.35Å; R15-I19 VanDerWaalsContact O-N 3.17Å; R15-E131 WeakPolarHBondContact CD-OE1 3.42Å; R15-E131 WeakPolarHBondContact CG-OE1 3.46Å; R15-E131 IonicContact CZ-OE1 3.91Å; R15-E131 IonicContact CZ-OE2 3.5Å; R15-E131 IonicContact NE-OE1 3.77Å; R15-E131 IonicContact NH1-OE1 3.95Å; R15-E131 IonicContact NH1-OE2 3.74Å; R15-E131 PolarHBondContact NH1-OE2 3.27Å
16	E	47.6	Very low	43	Very low	69 Å²	69	116.6 Å²	116.6	32%	0.322	50%	0.497	S	S	.	.	H	α-helix	trans	-49.2	-55.5	175.4	-70	155.7	178.6	0	0	110.5	N12 G13 R18 I19 T20 I96	N12-E16 WeakPolarHBondContact O-CG 3.38Å; N12-E16 PolarHBondContact O-N 3.24Å; G13-E16 VanDerWaalsContact CA-OE2 3.31Å; G13-E16 WeakPolarHBondContact CA-OE2 3.42Å; G13-E16 PolarHBondContact N-OE2 3.36Å; E16-R18 PolarHBondContact O-N 3.48Å; E16-I19 PolarHBondContact O-N 3.48Å; E16-I19 VanDerWaalsContact O-N 3.1Å; E16-T20 PolarHBondContact O-N 3.21Å; E16-T20 PolarHBondContact O-OG1 3.04Å; E16-T20 VanDerWaalsContact O-OG1 3.07Å; E16-I96 HydrophobicContact CG-CD1 4.28Å
17	K	51.6	Low	43.8	Very low	156 Å²	156	109 Å²	109	68%	0.678	47%	0.473	S	S	*	.	H	α-helix	trans	-55.5	-24.1	175	-74.3	-170.6	175.9	-160.8	0	115.2	G13 R15 R21	G13-K17 WeakPolarHBondContact O-CG 3.43Å; R15-K17 PolarHBondContact O-N 3.03Å; K17-R21 WeakPolarHBondContact O-CG 3.46Å; K17-R21 PolarHBondContact O-N 2.98Å
18	R	51.9	Low	44.9	Very low	169 Å²	169	103.3 Å²	103.3	64%	0.638	46%	0.458	S	S	*	.	H	α-helix	trans	-82.3	-38.3	179.5	-162.5	-176.7	-67	-158.7	-4.6	111.3	R15 E16 F22 L135	R15-R18 WeakPolarHBondContact O-CA 3.49Å; R15-R18 VanDerWaalsContact O-CB 3.3Å; R15-R18 WeakPolarHBondContact O-CB 3.22Å; R15-R18 PolarHBondContact O-N 3.04Å; E16-R18 PolarHBondContact O-N 3.48Å; R18-F22 PolarHBondContact O-N 3.28Å; R18-L135 HydrophobicContact CG-CD2 4.33Å
19	I	48.2	Very low	45.5	Very low	9 Å²	9	101.6 Å²	101.6	5%	0.046	45%	0.45	C	S	.	.	H	α-helix	trans	-75.2	-40.9	177.4	-47.9	166.7	0	0	0	110.4	R15 E16 R21 F22 I23 W118 E131	R15-I19 PolarHBondContact O-N 3.35Å; R15-I19 VanDerWaalsContact O-N 3.17Å; E16-I19 PolarHBondContact O-N 3.48Å; E16-I19 VanDerWaalsContact O-N 3.1Å; I19-R21 VanDerWaalsContact C-N 3.26Å; I19-R21 PolarHBondContact O-N 3.3Å; I19-F22 WeakPolarHBondContact O-CB 3.48Å; I19-F22 PolarHBondContact O-N 3.31Å; I19-I23 HydrophobicContact CG2-CD1 4.14Å; I19-I23 PolarHBondContact O-N 2.84Å; I19-I23 VanDerWaalsContact O-N 3.07Å; I19-W118 HydrophobicContact CB-CE3 4.35Å; I19-W118 HydrophobicContact CB-CZ3 4.12Å; I19-W118 HydrophobicContact CG2-CD2 4.26Å; I19-W118 HydrophobicContact CG2-CE3 3.44Å; I19-W118 VanDerWaalsContact CG2-CE3 3.44Å; I19-W118 HydrophobicContact CG2-CH2 4.48Å; I19-W118 HydrophobicContact CG2-CZ3 3.54Å; I19-E131 HydrophobicContact CD1-CG 4.21Å
20	T	51	Low	46	Very low	61 Å²	61	92.8 Å²	92.8	37%	0.374	42%	0.419	S	S	.	.	H	α-helix	trans	-57.8	-37.8	172.9	-49.7	0	0	0	0	112	E16 I23 N24	E16-T20 PolarHBondContact O-N 3.21Å; E16-T20 PolarHBondContact O-OG1 3.04Å; E16-T20 VanDerWaalsContact O-OG1 3.07Å; T20-I23 PolarHBondContact O-N 3.27Å; T20-N24 WeakPolarHBondContact O-CB 3.19Å; T20-N24 PolarHBondContact O-N 2.97Å; T20-N24 PolarHBondContact O-OD1 3.43Å
21	R	50.9	Low	46.5	Very low	190 Å²	190	86.2 Å²	86.2	72%	0.717	40%	0.402	S	S	*	.	H	α-helix	trans	-63.3	-43.1	173.5	-82.5	178.5	175.2	-163.2	-3.3	112.8	K17 I19 I23 L25	K17-R21 WeakPolarHBondContact O-CG 3.46Å; K17-R21 PolarHBondContact O-N 2.98Å; I19-R21 VanDerWaalsContact C-N 3.26Å; I19-R21 PolarHBondContact O-N 3.3Å; R21-I23 VanDerWaalsContact C-N 3.34Å; R21-I23 PolarHBondContact O-N 2.81Å; R21-L25 WeakPolarHBondContact O-CD1 3.43Å; R21-L25 VanDerWaalsContact O-CG 3.31Å; R21-L25 WeakPolarHBondContact O-CG 3.48Å; R21-L25 PolarHBondContact O-N 3.2Å
22	F	51.5	Low	46.7	Very low	21 Å²	21	80.5 Å²	80.5	9%	0.092	39%	0.393	C	S	.	.	H	α-helix	trans	-61	-42.8	178.1	176.8	-107.5	0	0	0	112	R18 I19 L25 Y26 M134 V137 P139	R18-F22 PolarHBondContact O-N 3.28Å; I19-F22 WeakPolarHBondContact O-CB 3.48Å; I19-F22 PolarHBondContact O-N 3.31Å; F22-L25 WeakPolarHBondContact O-CB 3.47Å; F22-L25 PolarHBondContact O-N 3.46Å; F22-Y26 PolarHBondContact O-N 3.13Å; F22-M134 HydrophobicContact CD1-SD 4.3Å; F22-M134 HydrophobicContact CE1-SD 3.81Å; F22-V137 VanDerWaalsContact CE2-O 3.23Å; F22-V137 WeakPolarHBondContact CE2-O 3.38Å; F22-V137 HydrophobicContact CZ-CB 4.3Å; F22-V137 HydrophobicContact CZ-CG1 4.16Å; F22-P139 HydrophobicContact CD2-CB 4.49Å; F22-P139 HydrophobicContact CE2-CB 4.17Å
23	I	48.9	Very low	46.5	Very low	8 Å²	8	81.4 Å²	81.4	4%	0.041	40%	0.402	C	S	.	.	H	α-helix	trans	-77.8	-34.8	-177.6	-69.3	171.9	0	0	0	112	I19 T20 R21 L25 Y26 N27 E94 W118	I19-I23 HydrophobicContact CG2-CD1 4.14Å; I19-I23 PolarHBondContact O-N 2.84Å; I19-I23 VanDerWaalsContact O-N 3.07Å; T20-I23 PolarHBondContact O-N 3.27Å; R21-I23 VanDerWaalsContact C-N 3.34Å; R21-I23 PolarHBondContact O-N 2.81Å; I23-L25 VanDerWaalsContact C-N 3.31Å; I23-L25 PolarHBondContact O-N 3.22Å; I23-Y26 PolarHBondContact O-N 3.16Å; I23-N27 WeakPolarHBondContact O-CB 3.26Å; I23-N27 PolarHBondContact O-N 3.41Å; I23-N27 PolarHBondContact O-ND2 2.7Å; I23-E94 WeakPolarHBondContact CG2-OE1 3.23Å; I23-W118 HydrophobicContact CD1-CD2 3.63Å; I23-W118 HydrophobicContact CD1-CE3 4.05Å; I23-W118 HydrophobicContact CD1-CG 4.31Å; I23-W118 HydrophobicContact CD1-CH2 3.63Å; I23-W118 HydrophobicContact CD1-CZ2 3.18Å; I23-W118 HydrophobicContact CD1-CZ3 4.02Å
24	N	50.3	Low	46.1	Very low	97 Å²	97	86.2 Å²	86.2	52%	0.519	42%	0.419	S	S	.	.	H	α-helix	trans	-60.1	-42.1	168.9	-71.9	9.2	0	0	0	111.2	T20 N27 S28	T20-N24 WeakPolarHBondContact O-CB 3.19Å; T20-N24 PolarHBondContact O-N 2.97Å; T20-N24 PolarHBondContact O-OD1 3.43Å; N24-N27 PolarHBondContact O-N 3.02Å; N24-S28 WeakPolarHBondContact O-CB 3.15Å; N24-S28 PolarHBondContact O-N 3.3Å; N24-S28 PolarHBondContact O-OG 3.37Å
25	L	51.5	Low	45.6	Very low	103 Å²	103	85.6 Å²	85.6	54%	0.539	42%	0.417	S	S	.	.	H	α-helix	trans	-62	-44.9	174.6	-75.4	163.1	0	0	0	112.4	R21 F22 I23 S28 S29 P139	R21-L25 WeakPolarHBondContact O-CD1 3.43Å; R21-L25 VanDerWaalsContact O-CG 3.31Å; R21-L25 WeakPolarHBondContact O-CG 3.48Å; R21-L25 PolarHBondContact O-N 3.2Å; F22-L25 WeakPolarHBondContact O-CB 3.47Å; F22-L25 PolarHBondContact O-N 3.46Å; I23-L25 VanDerWaalsContact C-N 3.31Å; I23-L25 PolarHBondContact O-N 3.22Å; L25-S28 PolarHBondContact O-N 3.09Å; L25-S29 PolarHBondContact O-N 3.32Å; L25-P139 HydrophobicContact CB-CB 4.1Å; L25-P139 HydrophobicContact CB-CG 4.12Å; L25-P139 HydrophobicContact CD1-CG 4.36Å
26	Y	48.7	Very low	45.2	Very low	21 Å²	21	83.2 Å²	83.2	8%	0.082	42%	0.423	C	S	.	.	H	α-helix	trans	-62.2	-46.7	176.9	174.2	-102.9	0	0	0	112.2	F22 I23 S28 S29 Q30 F147	F22-Y26 PolarHBondContact O-N 3.13Å; I23-Y26 PolarHBondContact O-N 3.16Å; Y26-S28 PolarHBondContact O-N 3.27Å; Y26-S29 WeakPolarHBondContact O-CB 3.39Å; Y26-S29 PolarHBondContact O-N 2.64Å; Y26-S29 VanDerWaalsContact O-N 3.13Å; Y26-Q30 HydrophobicContact CE1-CG 4.05Å; Y26-Q30 HydrophobicContact CE2-CG 4.18Å; Y26-Q30 PolarHBondContact O-N 2.73Å; Y26-Q30 PolarHBondContact OH-NE2 2.99Å; Y26-F147 HydrophobicContact CD1-CE1 4.19Å; Y26-F147 HydrophobicContact CD1-CE2 4.38Å; Y26-F147 AromaticContact CD1-CZ 3.97Å; Y26-F147 HydrophobicContact CD1-CZ 3.97Å; Y26-F147 HydrophobicContact CD2-CD2 4.17Å; Y26-F147 HydrophobicContact CD2-CE2 4.03Å; Y26-F147 HydrophobicContact CD2-CZ 4.44Å; Y26-F147 AromaticContact CE1-CD1 3.78Å; Y26-F147 HydrophobicContact CE1-CD1 3.78Å; Y26-F147 HydrophobicContact CE1-CD2 4.38Å; Y26-F147 AromaticContact CE1-CE1 3.46Å; Y26-F147 HydrophobicContact CE1-CE1 3.46Å; Y26-F147 VanDerWaalsContact CE1-CE1 3.46Å; Y26-F147 HydrophobicContact CE1-CE2 4.15Å; Y26-F147 HydrophobicContact CE1-CG 4.21Å; Y26-F147 AromaticContact CE1-CZ 3.68Å; Y26-F147 HydrophobicContact CE1-CZ 3.68Å; Y26-F147 HydrophobicContact CE2-CB 4.18Å; Y26-F147 HydrophobicContact CE2-CD1 4.16Å; Y26-F147 AromaticContact CE2-CD2 3.52Å; Y26-F147 HydrophobicContact CE2-CD2 3.52Å; Y26-F147 HydrophobicContact CE2-CE1 4.35Å; Y26-F147 AromaticContact CE2-CE2 3.79Å; Y26-F147 HydrophobicContact CE2-CE2 3.79Å; Y26-F147 AromaticContact CE2-CG 3.71Å; Y26-F147 HydrophobicContact CE2-CG 3.71Å; Y26-F147 HydrophobicContact CE2-CZ 4.19Å; Y26-F147 HydrophobicContact CG-CE2 4.33Å; Y26-F147 HydrophobicContact CG-CZ 4.34Å; Y26-F147 AromaticContact CZ-CD1 3.39Å; Y26-F147 AromaticContact CZ-CD2 3.66Å; Y26-F147 AromaticContact CZ-CE1 3.56Å; Y26-F147 AromaticContact CZ-CE2 3.86Å; Y26-F147 AromaticContact CZ-CG 3.41Å; Y26-F147 VanDerWaalsContact CZ-CG 3.41Å; Y26-F147 AromaticContact CZ-CZ 3.8Å; Y26-F147 VanDerWaalsContact OH-CB 3.27Å; Y26-F147 WeakPolarHBondContact OH-CB 3.49Å; Y26-F147 WeakPolarHBondContact OH-CD1 3.14Å; Y26-F147 WeakPolarHBondContact OH-CG 3.31Å
27	N	46	Very low	44.7	Very low	67 Å²	67	86.5 Å²	86.5	36%	0.358	44%	0.443	S	S	.	.	H	α-helix	trans	-67	-34.8	178.6	-70	-20.6	0	0	0	112.1	I23 N24 Q30 V31	I23-N27 WeakPolarHBondContact O-CB 3.26Å; I23-N27 PolarHBondContact O-N 3.41Å; I23-N27 PolarHBondContact O-ND2 2.7Å; N24-N27 PolarHBondContact O-N 3.02Å; N27-Q30 PolarHBondContact O-N 3.19Å; N27-V31 WeakPolarHBondContact O-CG2 3.49Å; N27-V31 PolarHBondContact O-N 3.44Å; N27-V31 VanDerWaalsContact O-N 3.1Å
28	S	49.6	Very low	44	Very low	75 Å²	75	86 Å²	86	52%	0.524	45%	0.446	S	S	.	.	H	α-helix	trans	-65.7	-36.1	170.5	-64.7	0	0	0	0	112.9	N24 L25 Y26 S32	N24-S28 WeakPolarHBondContact O-CB 3.15Å; N24-S28 PolarHBondContact O-N 3.3Å; N24-S28 PolarHBondContact O-OG 3.37Å; L25-S28 PolarHBondContact O-N 3.09Å; Y26-S28 PolarHBondContact O-N 3.27Å; S28-S32 WeakPolarHBondContact O-CB 3.29Å; S28-S32 PolarHBondContact O-N 3.46Å; S28-S32 VanDerWaalsContact O-N 3.13Å; S28-S32 PolarHBondContact O-OG 3.37Å
29	S	44.8	Very low	42.9	Very low	56 Å²	56	80.8 Å²	80.8	39%	0.392	45%	0.445	S	S	.	.	H	α-helix	trans	-65.5	-44.9	174.8	-172.8	0	0	0	0	111.6	L25 Y26 S32 S33	L25-S29 PolarHBondContact O-N 3.32Å; Y26-S29 WeakPolarHBondContact O-CB 3.39Å; Y26-S29 PolarHBondContact O-N 2.64Å; Y26-S29 VanDerWaalsContact O-N 3.13Å; S29-S32 WeakPolarHBondContact O-CB 3.48Å; S29-S32 PolarHBondContact O-N 3.04Å; S29-S33 PolarHBondContact O-N 2.79Å
30	Q	40.2	Very low	42	Very low	38 Å²	38	90.1 Å²	90.1	18%	0.178	49%	0.488	C	S	.	.	H	α-helix	trans	-59.6	-48.7	175.8	-77.8	-73.4	10.7	0	0	113.1	Y26 N27 S32 S33 M34 A144	Y26-Q30 HydrophobicContact CE1-CG 4.05Å; Y26-Q30 HydrophobicContact CE2-CG 4.18Å; Y26-Q30 PolarHBondContact O-N 2.73Å; Y26-Q30 PolarHBondContact OH-NE2 2.99Å; N27-Q30 PolarHBondContact O-N 3.19Å; Q30-S32 PolarHBondContact O-N 2.99Å; Q30-S33 PolarHBondContact O-N 3.18Å; Q30-M34 PolarHBondContact O-N 3.48Å; Q30-A144 VanDerWaalsContact NE2-CB 3.26Å
31	V	39.5	Very low	41	Very low	81 Å²	81	90.9 Å²	90.9	49%	0.491	51%	0.509	S	S	.	.	H	α-helix	trans	-62.5	-33	177.5	172.6	0	0	0	0	111.7	N27 R35	N27-V31 WeakPolarHBondContact O-CG2 3.49Å; N27-V31 PolarHBondContact O-N 3.44Å; N27-V31 VanDerWaalsContact O-N 3.1Å; V31-R35 WeakPolarHBondContact O-CB 3.34Å; V31-R35 WeakPolarHBondContact O-CG 3.35Å; V31-R35 PolarHBondContact O-N 3.05Å; V31-R35 VanDerWaalsContact O-N 3.08Å
32	S	37.3	Very low	39.9	Very low	77 Å²	77	92.8 Å²	92.8	54%	0.538	52%	0.516	S	S	.	.	H	α-helix	trans	-70.2	-42.6	175.2	-55.6	0	0	0	0	111.9	S28 S29 Q30 R35 A36	S28-S32 WeakPolarHBondContact O-CB 3.29Å; S28-S32 PolarHBondContact O-N 3.46Å; S28-S32 VanDerWaalsContact O-N 3.13Å; S28-S32 PolarHBondContact O-OG 3.37Å; S29-S32 WeakPolarHBondContact O-CB 3.48Å; S29-S32 PolarHBondContact O-N 3.04Å; Q30-S32 PolarHBondContact O-N 2.99Å; S32-R35 PolarHBondContact O-N 3.48Å; S32-A36 PolarHBondContact O-N 3.04Å
33	S	35.7	Very low	38.8	Very low	61 Å²	61	99.5 Å²	99.5	43%	0.427	55%	0.552	S	S	.	*	H	α-helix	trans	-66.5	-36.9	176.3	-169.4	0	0	0	0	112.8	S29 Q30 N37	S29-S33 PolarHBondContact O-N 2.79Å; Q30-S33 PolarHBondContact O-N 3.18Å; S33-N37 PolarHBondContact O-N 2.88Å
34	M	31.7	Very low	37.8	Very low	127 Å²	127	102.7 Å²	102.7	63%	0.626	59%	0.586	S	S	*	*	H	α-helix	trans	-67.9	-38.9	173.7	-76.8	-174.9	165.5	0	0	112	Q30 N37 I38	Q30-M34 PolarHBondContact O-N 3.48Å; M34-N37 PolarHBondContact O-N 3.38Å; M34-I38 WeakPolarHBondContact O-CD1 3.47Å; M34-I38 VanDerWaalsContact O-CG1 3.3Å; M34-I38 WeakPolarHBondContact O-CG1 3.37Å; M34-I38 PolarHBondContact O-N 3.2Å
35	R	35.2	Very low	36.7	Very low	193 Å²	193	107.8 Å²	107.8	73%	0.728	61%	0.607	S	S	*	*	H	α-helix	trans	-65.8	-38.1	174.5	-82.4	-178.9	166.4	176.8	-4.6	113	V31 S32 I38 G39	V31-R35 WeakPolarHBondContact O-CB 3.34Å; V31-R35 WeakPolarHBondContact O-CG 3.35Å; V31-R35 PolarHBondContact O-N 3.05Å; V31-R35 VanDerWaalsContact O-N 3.08Å; S32-R35 PolarHBondContact O-N 3.48Å; R35-I38 PolarHBondContact O-N 3.3Å; R35-G39 PolarHBondContact O-N 2.95Å
36	A	37.6	Very low	35.7	Very low	69 Å²	69	107.9 Å²	107.9	57%	0.57	62%	0.623	S	S	*	*	H	α-helix	trans	-61.2	-45.1	175.5	0	0	0	0	0	111.8	S32 I38 G39	S32-A36 PolarHBondContact O-N 3.04Å; A36-I38 PolarHBondContact O-N 3.34Å; A36-G39 PolarHBondContact O-N 3.12Å; A36-G39 VanDerWaalsContact O-N 3.13Å
37	N	35.6	Very low	34.8	Very low	138 Å²	138	115 Å²	115	74%	0.738	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-1.1	-179.4	-67.8	-0.5	0	0	0	114.7	S33 M34	S33-N37 PolarHBondContact O-N 2.88Å; M34-N37 PolarHBondContact O-N 3.38Å
38	I	37.9	Very low	34	Very low	145 Å²	145	117.6 Å²	117.6	74%	0.744	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.9	3.7	175.6	-63.7	168.4	0	0	0	110	M34 R35 A36	M34-I38 WeakPolarHBondContact O-CD1 3.47Å; M34-I38 VanDerWaalsContact O-CG1 3.3Å; M34-I38 WeakPolarHBondContact O-CG1 3.37Å; M34-I38 PolarHBondContact O-N 3.2Å; R35-I38 PolarHBondContact O-N 3.3Å; A36-I38 PolarHBondContact O-N 3.34Å
39	G	28.9	Very low	33.1	Very low	60 Å²	60	121.2 Å²	121.2	62%	0.619	68%	0.684	S	S	*	*			trans	-87.2	2.7	-167.8	0	0	0	0	0	117.8	R35 A36	R35-G39 PolarHBondContact O-N 2.95Å; A36-G39 PolarHBondContact O-N 3.12Å; A36-G39 VanDerWaalsContact O-N 3.13Å
40	E	29.9	Very low	32.5	Very low	204 Å²	204	123.7 Å²	123.7	95%	0.953	70%	0.701	S	S	*	*			trans	-121.8	77.9	-179.5	-67.1	-163.5	136.7	0	0	112.1
41	G	29	Very low	32	Very low	78 Å²	78	127.4 Å²	127.4	80%	0.804	73%	0.73	S	S	*	*			trans	-164.4	120.4	172.1	0	0	0	0	0	109.1
42	R	27.2	Very low	31.5	Very low	229 Å²	229	128.5 Å²	128.5	86%	0.864	74%	0.742	S	S	*	*			trans	-124	151.5	-164.1	-164.9	-174.4	-177.9	179.2	1.3	111.2
43	L	28.8	Very low	31.4	Very low	163 Å²	163	132.3 Å²	132.3	85%	0.853	76%	0.755	S	S	*	*			trans	74.3	137.9	177.8	-43	172.5	0	0	0	113.1
44	G	27.6	Very low	31.2	Very low	74 Å²	74	134.2 Å²	134.2	76%	0.763	77%	0.769	S	S	*	*			cis	154	116.3	-9.2	0	0	0	0	0	111.4
45	E	27.7	Very low	31.6	Very low	205 Å²	205	133.8 Å²	133.8	96%	0.958	78%	0.775	S	S	*	*			trans	-119.8	140.7	177.4	-69.3	-173.6	125.8	0	0	111.1
46	A	31.2	Very low	31.5	Very low	105 Å²	105	130.5 Å²	130.5	87%	0.868	78%	0.782	S	S	*	*			trans	-119.9	171	174.4	0	0	0	0	0	109.6
47	Q	29.4	Very low	31	Very low	170 Å²	170	133.1 Å²	133.1	79%	0.794	80%	0.795	S	S	*	*			trans	-77.5	144.2	-164.6	-87.2	177.8	-108.4	0	0	116.1
48	D	28.3	Very low	30.8	Very low	122 Å²	122	131.3 Å²	131.3	65%	0.652	79%	0.792	S	S	*	*			trans	66.9	148.6	136.8	-53.6	-28.6	0	0	0	122.4
49	D	31.7	Very low	30.5	Very low	150 Å²	150	129.4 Å²	129.4	80%	0.802	79%	0.792	S	S	*	*			trans	67	103.9	156.9	-65.3	-24	0	0	0	123.3
50	S	33	Very low	30.7	Very low	108 Å²	108	131.2 Å²	131.2	76%	0.755	80%	0.795	S	S	*	*				109	116.4	120.3	77.4	0	0	0	0	120.9
51	C	28	Very low	30.7	Very low	116 Å²	116	128.9 Å²	128.9	78%	0.784	79%	0.789	S	S	*	*			trans	59.1	99.3	132.5	-62.1	0	0	0	0	122.2
52	S	30.5	Very low	30.8	Very low	105 Å²	105	130.3 Å²	130.3	73%	0.734	79%	0.786	S	S	*	*				110.4	145.8	107.2	79.9	0	0	0	0	121
53	L	34.6	Very low	31	Very low	156 Å²	156	126.4 Å²	126.4	82%	0.817	78%	0.782	S	S	*	*			trans	67.9	71.7	153.9	-63.4	165.6	0	0	0	120.8
54	S	31.6	Very low	31.1	Very low	102 Å²	102	123 Å²	123	71%	0.713	77%	0.772	S	S	*	*				-12.6	169.5	124.5	63.5	0	0	0	0	120
55	P	40.4	Very low	31.5	Very low	118 Å²	118	125 Å²	125	77%	0.766	77%	0.774	S	S	*	*			cis	-144.9	163.3	-47.1	41	-24.6	0	0	0	114.4
56	S	33.4	Very low	31.8	Very low	124 Å²	124	123 Å²	123	87%	0.867	77%	0.768	S	S	*	*			trans	-164.7	155.5	155.4	45.7	0	0	0	0	115
57	C	26.5	Very low	32.4	Very low	124 Å²	124	122.8 Å²	122.8	84%	0.838	76%	0.758	S	S	*	*			trans	-70.2	177.8	177	-43.5	0	0	0	0	112
58	S	30.9	Very low	32.7	Very low	99 Å²	99	124.1 Å²	124.1	69%	0.692	76%	0.762	S	S	*	*			cis	-170.9	169.3	23.7	48.2	0	0	0	0	111.6
59	S	32.3	Very low	33.1	Very low	106 Å²	106	122.9 Å²	122.9	74%	0.741	77%	0.768	S	S	*	*			trans	63.1	153.9	154.4	39.3	0	0	0	0	118.9
60	S	32.8	Very low	33.4	Very low	97 Å²	97	120.5 Å²	120.5	68%	0.678	77%	0.77	S	S	*	*			cis	-171.9	150.6	-14.4	48.7	0	0	0	0	112.2
61	L	30.6	Very low	33.5	Very low	156 Å²	156	118.7 Å²	118.7	82%	0.817	77%	0.768	S	S	*	*			trans	58.9	130.6	146.3	-67.8	165.1	0	0	0	122.7
62	S	31.2	Very low	34.2	Very low	107 Å²	107	119.3 Å²	119.3	75%	0.748	77%	0.77	S	S	*	*			trans	67.9	156.8	140.8	69.3	0	0	0	0	119.3
63	D	29.6	Very low	34.4	Very low	147 Å²	147	122.1 Å²	122.1	79%	0.786	77%	0.772	S	S	*	*			cis	-150.5	173.5	-2.9	-141.1	-26.2	0	0	0	114.1
64	S	31.4	Very low	34.5	Very low	91 Å²	91	120 Å²	120	64%	0.636	77%	0.768	S	S	*	*			trans	-6.7	142.9	162.6	66.8	0	0	0	0	122.6
65	S	36.3	Very low	34.6	Very low	116 Å²	116	119.3 Å²	119.3	81%	0.811	76%	0.763	S	S	*	*				-176	159.4	116.8	-82.7	0	0	0	0	114.6
66	I	33.9	Very low	34.2	Very low	163 Å²	163	118.4 Å²	118.4	84%	0.836	77%	0.765	S	S	*	*			trans	-146.2	-163.5	-175.7	-6	174.5	0	0	0	108.1
67	P	44.9	Very low	34.3	Very low	101 Å²	101	118 Å²	118	66%	0.656	76%	0.759	S	S	*	*			cis	-140.5	-161.2	-14.7	29.3	-2.7	0	0	0	115.7
68	K	34.1	Very low	34.3	Very low	198 Å²	198	120.1 Å²	120.1	86%	0.861	76%	0.762	S	S	*	*			trans	88.8	142.4	157.4	-67	173.8	176.2	175.9	0	118.2
69	A	37.8	Very low	34.2	Very low	96 Å²	96	120.8 Å²	120.8	79%	0.793	77%	0.767	S	S	*	*			cis	-165.8	177.4	-13.7	0	0	0	0	0	108.3
70	A	38.6	Very low	34	Very low	101 Å²	101	122.4 Å²	122.4	84%	0.835	77%	0.772	S	S	*	*			cis	-138	-147.1	3.2	0	0	0	0	0	109
71	G	35.1	Very low	33.7	Very low	70 Å²	70	121.4 Å²	121.4	72%	0.722	78%	0.777	S	S	*	*			cis	117.9	143.9	0.4	0	0	0	0	0	113.9
72	P	42.2	Very low	33.7	Very low	128 Å²	128	118.9 Å²	118.9	83%	0.831	78%	0.778	S	S	*	*			cis	-128.6	156.1	0.6	41.4	-25.2	0	0	0	118.5
73	Q	33.4	Very low	33.6	Very low	164 Å²	164	120.4 Å²	120.4	77%	0.766	78%	0.783	S	S	*	*			trans	2.4	160.5	146.4	-77.9	-64.1	-61.9	0	0	123
74	P	36.7	Very low	33.4	Very low	112 Å²	112	117.1 Å²	117.1	73%	0.727	78%	0.776	S	S	*	*			cis	-144.1	154.1	40.1	41.5	-21.3	0	0	0	122.5
75	S	35.4	Very low	33.4	Very low	88 Å²	88	119.1 Å²	119.1	62%	0.615	79%	0.787	S	S	*	*			trans	45.5	117.4	148.2	59.4	0	0	0	0	121.2
76	A	31.8	Very low	33	Very low	98 Å²	98	119.4 Å²	119.4	81%	0.81	78%	0.784	S	S	*	*				85.7	151	57.5	0	0	0	0	0	114.4
77	P	34.7	Very low	33.4	Very low	115 Å²	115	120.3 Å²	120.3	75%	0.747	79%	0.785	S	S	*	*			cis	-134.2	154.1	13.8	41.6	-24.3	0	0	0	119.1
78	L	27.2	Very low	33.3	Very low	169 Å²	169	119.9 Å²	119.9	89%	0.885	78%	0.784	S	S	*	*			trans	36	124.8	140.1	-56.9	173.5	0	0	0	123.4
79	S	28.1	Very low	34.5	Very low	114 Å²	114	113.6 Å²	113.6	80%	0.797	76%	0.76	S	S	*	*				137.1	162.2	115.9	-158.2	0	0	0	0	116.2
80	V	28.8	Very low	36	Very low	140 Å²	140	112 Å²	112	85%	0.848	74%	0.741	S	S	*	*			trans	69.1	122.3	178.2	-166.5	0	0	0	0	115.7
81	G	26.1	Very low	38	Very low	76 Å²	76	110.4 Å²	110.4	78%	0.784	72%	0.718	S	S	*	*			trans	-93.5	165.6	-178.1	0	0	0	0	0	114.6
82	A	30.2	Very low	40.1	Very low	103 Å²	103	112.9 Å²	112.9	85%	0.851	71%	0.706	S	S	*	*			trans	-124.6	126.7	-178.9	0	0	0	0	0	112.8
83	T	28.6	Very low	42.3	Very low	138 Å²	138	109.9 Å²	109.9	85%	0.847	68%	0.678	S	S	*	*			trans	-48.5	153.2	176.7	47.9	0	0	0	0	116.7
84	A	25.8	Very low	44.9	Very low	78 Å²	78	105.1 Å²	105.1	65%	0.645	66%	0.656	S	S	*	*			trans	-57	154.8	171.2	0	0	0	0	0	113.9	T86	A84-T86 PolarHBondContact O-N 3.19Å
85	P	32.1	Very low	47.3	Very low	134 Å²	134	100.3 Å²	100.3	87%	0.87	63%	0.626	S	S	*	*			trans	-76.4	108.4	-169.9	29.4	-35.5	0	0	0	113.9
86	T	27.7	Very low	49.7	Very low	122 Å²	122	97.3 Å²	97.3	75%	0.748	60%	0.603	S	S	*	*			trans	-112.4	94.9	174	55.5	0	0	0	0	112.5	A84	A84-T86 PolarHBondContact O-N 3.19Å
87	Q	41.5	Very low	52.6	Low	181 Å²	181	92.7 Å²	92.7	85%	0.846	57%	0.565	S	S	*	*			trans	-168.1	124.4	158.2	-114.5	151.3	99.6	0	0	111
88	S	43.6	Very low	55.2	Low	92 Å²	92	89.5 Å²	89.5	64%	0.643	54%	0.538	S	S	*	.			trans	-109.7	68	-174	59.8	0	0	0	0	112.1	T90 D123	S88-T90 PolarHBondContact O-N 2.97Å; S88-T90 PolarHBondContact O-OG1 3.27Å; S88-D123 VanDerWaalsContact O-OD1 3.05Å
89	D	59.8	Low	58.2	Low	67 Å²	67	82.2 Å²	82.2	36%	0.358	50%	0.5	S	S	.	.			trans	-63.9	90	178.3	-90.4	2.6	0	0	0	111.4	V148 R152	D89-V148 HydrophobicContact CB-CB 4.42Å; D89-V148 HydrophobicContact CB-CG1 4.13Å; D89-V148 HydrophobicContact CB-CG2 4.32Å; D89-V148 WeakPolarHBondContact OD2-CG1 3.48Å; D89-R152 IonicContact OD1-CZ 3.22Å; D89-R152 VanDerWaalsContact OD1-CZ 3.24Å; D89-R152 IonicContact OD1-NH1 3.12Å; D89-R152 PolarHBondContact OD1-NH1 3.35Å; D89-R152 IonicContact OD1-NH2 3.76Å; D89-R152 PolarHBondContact OD1-NH2 3.16Å; D89-R152 IonicContact OD2-CZ 2.67Å; D89-R152 IonicContact OD2-NH1 3.79Å; D89-R152 PolarHBondContact OD2-NH1 3.21Å; D89-R152 IonicContact OD2-NH2 2.89Å
90	T	69	Low	61	Low	62 Å²	62	77.8 Å²	77.8	38%	0.38	47%	0.466	S	S	.	.			trans	-117.6	125.2	-167.2	-41.9	0	0	0	0	111.6	S88 Y92 I122 D123	S88-T90 PolarHBondContact O-N 2.97Å; S88-T90 PolarHBondContact O-OG1 3.27Å; T90-Y92 HydrophobicContact CG2-CE2 4.18Å; T90-Y92 WeakPolarHBondContact O-CD2 3.48Å; T90-Y92 WeakPolarHBondContact O-CE2 3.44Å; T90-I122 WeakPolarHBondContact O-CA 3.38Å; T90-D123 PolarHBondContact N-OD1 2.87Å; T90-D123 PolarHBondContact O-N 3.02Å; T90-D123 VanDerWaalsContact O-N 3.12Å
91	I	79.3	Confident	63.4	Low	68 Å²	68	76.1 Å²	76.1	35%	0.349	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	112	176.8	-52.4	-179.5	0	0	0	109.4	I122 F147 V148 I151	I91-I122 HydrophobicContact CG1-CD1 4.44Å; I91-I122 HydrophobicContact CG1-CG1 4.3Å; I91-F147 HydrophobicContact CD1-CD1 4.4Å; I91-F147 HydrophobicContact CD1-CE1 4.41Å; I91-V148 HydrophobicContact CD1-CG2 4.33Å; I91-V148 HydrophobicContact CG1-CG2 4.34Å; I91-I151 HydrophobicContact CD1-CD1 4.43Å
92	Y	80.9	Confident	65.5	Low	121 Å²	121	73.7 Å²	73.7	48%	0.475	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-30.3	-176.6	-71.1	-99.1	0	0	0	113.5	T90 L121 C209	T90-Y92 HydrophobicContact CG2-CE2 4.18Å; T90-Y92 WeakPolarHBondContact O-CD2 3.48Å; T90-Y92 WeakPolarHBondContact O-CE2 3.44Å; Y92-L121 PolarHBondContact N-O 3.25Å; Y92-C209 VanDerWaalsContact CG-SG 3.51Å
93	R	87.5	Confident	67	Low	66 Å²	66	71.6 Å²	71.6	25%	0.249	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	143.4	175.5	-169.8	174.2	-178.4	97.6	2	110.3	L121 D198 G201 W202 A205	R93-L121 HydrophobicContact CB-CB 4.25Å; R93-L121 PolarHBondContact O-N 2.86Å; R93-D198 IonicContact CZ-OD1 2.74Å; R93-D198 PolarHBondContact NH2-O 3.47Å; R93-D198 IonicContact NH2-OD1 3.24Å; R93-D198 PolarHBondContact NH2-OD1 3.16Å; R93-G201 PolarHBondContact NH1-O 3.42Å; R93-W202 HydrophobicContact CB-CH2 4.4Å; R93-W202 HydrophobicContact CB-CZ3 4.22Å; R93-W202 HydrophobicContact CG-CD2 4.39Å; R93-W202 HydrophobicContact CG-CE3 4.24Å; R93-W202 HydrophobicContact CG-CH2 3.94Å; R93-W202 HydrophobicContact CG-CZ2 4.12Å; R93-W202 HydrophobicContact CG-CZ3 4Å; R93-W202 VanDerWaalsContact NE-CD2 3.31Å; R93-A205 HydrophobicContact CB-CB 4.03Å; R93-A205 HydrophobicContact CG-CB 4.5Å
94	E	88	Confident	68	Low	63 Å²	63	73.7 Å²	73.7	29%	0.294	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	162.9	165.2	66	164.4	176.7	0	0	111.5	I23 W118 A119 F120	I23-E94 WeakPolarHBondContact CG2-OE1 3.23Å; E94-W118 PolarHBondContact OE2-NE1 3.39Å; E94-A119 CarbonylContact C-O 3.55Å; E94-A119 VanDerWaalsContact CA-O 3.23Å; E94-A119 WeakPolarHBondContact CA-O 3.37Å; E94-F120 HydrophobicContact CB-CD1 3.82Å; E94-F120 HydrophobicContact CB-CE1 4.11Å; E94-F120 WeakPolarHBondContact OE2-CE1 3.39Å
95	G	86.7	Confident	68.7	Low	11 Å²	11	73.6 Å²	73.6	11%	0.113	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.8	-172.3	172.8	0	0	0	0	0	115.2	A119	G95-A119 PolarHBondContact N-O 2.9Å; G95-A119 VanDerWaalsContact N-O 3.07Å; G95-A119 PolarHBondContact O-N 2.76Å
96	I	86.8	Confident	69.2	Low	26 Å²	26	71.5 Å²	71.5	13%	0.133	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	127.1	-178.6	-59.7	177.8	0	0	0	110.2	E16 L116 W118 V194	E16-I96 HydrophobicContact CG-CD1 4.28Å; I96-L116 HydrophobicContact CG2-CD1 3.43Å; I96-L116 VanDerWaalsContact CG2-CD1 3.43Å; I96-W118 HydrophobicContact CD1-CE3 4.49Å; I96-W118 HydrophobicContact CD1-CH2 4.44Å; I96-W118 HydrophobicContact CD1-CZ3 3.79Å; I96-W118 HydrophobicContact CG1-CE3 3.62Å; I96-W118 HydrophobicContact CG1-CH2 3.86Å; I96-W118 HydrophobicContact CG1-CZ3 3.23Å; I96-V194 HydrophobicContact CB-CG2 4.39Å
97	L	91.3	Very high	69.8	Low	0 Å²	0	73.5 Å²	73.5	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	138.1	169.1	-69.4	179.2	0	0	0	110.9	Y117 A119 F179 F191 A193 W202	L97-Y117 PolarHBondContact N-O 3.14Å; L97-Y117 VanDerWaalsContact N-O 3.07Å; L97-Y117 PolarHBondContact O-N 2.83Å; L97-A119 HydrophobicContact CB-CB 4.41Å; L97-A119 HydrophobicContact CD1-CB 3.72Å; L97-A119 HydrophobicContact CG-CB 4.1Å; L97-F179 HydrophobicContact CD1-CZ 3.99Å; L97-F179 HydrophobicContact CD2-CE1 3.69Å; L97-F179 HydrophobicContact CD2-CZ 3.94Å; L97-F191 HydrophobicContact CB-CD1 4.16Å; L97-F191 HydrophobicContact CD1-CD1 3.8Å; L97-F191 HydrophobicContact CD1-CE1 4.21Å; L97-F191 HydrophobicContact CD1-CG 4.31Å; L97-A193 HydrophobicContact CD2-CB 4.48Å; L97-W202 HydrophobicContact CD1-CD2 3.99Å; L97-W202 HydrophobicContact CD1-CE3 4.11Å; L97-W202 HydrophobicContact CD1-CH2 4.3Å; L97-W202 HydrophobicContact CD1-CZ2 4.15Å; L97-W202 HydrophobicContact CD1-CZ3 4.28Å; L97-W202 HydrophobicContact CD2-CD2 4.2Å; L97-W202 HydrophobicContact CD2-CG 4.16Å; L97-W202 HydrophobicContact CG-CD2 4.35Å; L97-W202 HydrophobicContact CG-CZ2 4.11Å
98	Y	90.3	Very high	69.9	Low	49 Å²	49	71 Å²	71	19%	0.192	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	121.6	159.8	-59	-101.6	0	0	0	108.7	N12 Q115 L116 F191 Q192	N12-Y98 PolarHBondContact ND2-OH 3.29Å; N12-Y98 VanDerWaalsContact ND2-OH 3.07Å; Y98-Q115 CarbonylContact C-O 3.5Å; Y98-Q115 VanDerWaalsContact CA-O 3.25Å; Y98-Q115 WeakPolarHBondContact CA-O 3.45Å; Y98-L116 HydrophobicContact CD1-CB 4.24Å; Y98-L116 HydrophobicContact CD1-CD1 4.02Å; Y98-L116 HydrophobicContact CD2-CD1 4.24Å; Y98-L116 HydrophobicContact CE1-CB 4.21Å; Y98-L116 HydrophobicContact CE1-CD1 3.79Å; Y98-L116 HydrophobicContact CE1-CG 4.47Å; Y98-L116 HydrophobicContact CE2-CD1 4Å; Y98-L116 HydrophobicContact CG-CD1 4.24Å; Y98-F191 CarbonylContact O-C 3.56Å; Y98-F191 WeakPolarHBondContact O-CA 3.5Å; Y98-Q192 HydrophobicContact CD2-CB 4.5Å; Y98-Q192 PolarHBondContact N-O 2.97Å; Y98-Q192 PolarHBondContact O-N 2.91Å
99	H	90.6	Very high	70	Confident	16 Å²	16	68.5 Å²	68.5	7%	0.074	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	144.9	176.6	170.3	-114.5	0	0	0	111.3	Q115 Y117 L128 L157 H189 L190 F191	H99-Q115 PolarHBondContact N-O 2.96Å; H99-Q115 PolarHBondContact O-N 3.47Å; H99-Y117 HydrophobicContact CB-CD2 3.71Å; H99-Y117 HydrophobicContact CB-CE2 3.77Å; H99-Y117 AromaticContact CE1-CE2 3.33Å; H99-Y117 WeakPolarHBondContact CE1-CE2 3.39Å; H99-Y117 AromaticContact CE1-CZ 3.87Å; H99-L128 HydrophobicContact CB-CD1 4.12Å; H99-L157 WeakPolarHBondContact NE2-CD2 3.32Å; H99-H189 AromaticContact NE2-ND1 3.86Å; H99-L190 CarbonylContact C-O 3.56Å; H99-L190 WeakPolarHBondContact CA-O 3.4Å; H99-F191 HydrophobicContact CB-CD1 4.01Å; H99-F191 HydrophobicContact CB-CE1 3.82Å; H99-F191 AromaticContact CD2-CE1 3.61Å; H99-F191 AromaticContact CD2-CZ 3.82Å; H99-F191 AromaticContact CG-CE1 3.97Å
100	K	86.6	Confident	69.6	Low	21 Å²	21	72.4 Å²	72.4	9%	0.091	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	128.7	165.8	170.3	179.1	178.8	160	0	109.1	S109 S113 W114 L190	K100-S109 VanDerWaalsContact CE-OG 3.23Å; K100-S109 WeakPolarHBondContact CE-OG 3.3Å; K100-S109 PolarHBondContact NZ-O 2.84Å; K100-S109 PolarHBondContact NZ-OG 3.05Å; K100-S113 WeakPolarHBondContact CD-OG 3.46Å; K100-S113 WeakPolarHBondContact CE-OG 3.18Å; K100-S113 PolarHBondContact NZ-OG 3.13Å; K100-W114 HydrophobicContact CB-CD2 3.66Å; K100-W114 HydrophobicContact CB-CE3 3.56Å; K100-W114 HydrophobicContact CB-CG 4.28Å; K100-W114 HydrophobicContact CB-CH2 4.1Å; K100-W114 HydrophobicContact CB-CZ2 4.17Å; K100-W114 HydrophobicContact CB-CZ3 3.79Å; K100-W114 HydrophobicContact CD-CD2 4.23Å; K100-W114 HydrophobicContact CD-CZ2 3.97Å; K100-L190 HydrophobicContact CB-CB 4.41Å; K100-L190 PolarHBondContact N-O 3.17Å; K100-L190 WeakPolarHBondContact O-CB 3.44Å; K100-L190 PolarHBondContact O-N 2.63Å
101	Q	79.4	Confident	69	Low	105 Å²	105	74 Å²	74	49%	0.491	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-90.4	124.1	164	-163.7	169.9	2	0	0	108.9
102	P	70.3	Confident	68	Low	25 Å²	25	81.2 Å²	81.2	16%	0.162	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-70.2	143.1	171	29.3	-29.4	0	0	0	110.3	E188	P102-E188 WeakPolarHBondContact CD-O 3.31Å; P102-E188 HydrophobicContact CG-CB 3.91Å; P102-E188 HydrophobicContact CG-CG 3.91Å; P102-E188 WeakPolarHBondContact CG-OE2 3.46Å
103	S	60.1	Low	67.6	Low	59 Å²	59	77.7 Å²	77.7	41%	0.413	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-85.2	139.1	178.2	50.7	0	0	0	0	111.2	S105	S103-S105 CarbonylContact O-C 3.6Å; S103-S105 PolarHBondContact O-N 3.15Å; S103-S105 PolarHBondContact OG-O 3.5Å
104	N	50.7	Low	67.3	Low	182 Å²	182	75.6 Å²	75.6	97%	0.973	41%	0.411	S	S	*	.	S	Bend	trans	-59.5	-9	177.7	-74.1	11.5	0	0	0	115.3
105	S	40.2	Very low	67.1	Low	75 Å²	75	77.8 Å²	77.8	52%	0.524	42%	0.421	S	S	.	.	S	Bend	trans	-82.9	117.2	162.3	58.1	0	0	0	0	109.7	S103 R107	S103-S105 CarbonylContact O-C 3.6Å; S103-S105 PolarHBondContact O-N 3.15Å; S103-S105 PolarHBondContact OG-O 3.5Å; S105-R107 PolarHBondContact O-N 3.17Å
106	G	42.9	Very low	67.2	Low	90 Å²	90	79 Å²	79	93%	0.928	43%	0.425	S	S	*	.			trans	-67.2	31.4	-179	0	0	0	0	0	116
107	R	41	Very low	67.3	Low	165 Å²	165	79.6 Å²	79.6	62%	0.623	43%	0.425	S	S	*	.	S	Bend	trans	-93.1	131.7	169.5	-70.6	-178.5	170.4	-165.4	-6.5	108.6	S105 S109	S105-R107 PolarHBondContact O-N 3.17Å; R107-S109 PolarHBondContact O-N 3.29Å
108	S	43	Very low	67.1	Low	127 Å²	127	80.8 Å²	80.8	89%	0.888	43%	0.43	S	S	*	.			trans	-52.7	97.3	176.6	167.1	0	0	0	0	112	H110	S108-H110 PolarHBondContact O-N 3.17Å
109	S	45.6	Very low	67.1	Low	40 Å²	40	78.5 Å²	78.5	28%	0.28	42%	0.421	S	S	.	.			trans	-69.9	129.5	-177.2	42.9	0	0	0	0	111.4	K100 R107	K100-S109 VanDerWaalsContact CE-OG 3.23Å; K100-S109 WeakPolarHBondContact CE-OG 3.3Å; K100-S109 PolarHBondContact NZ-O 2.84Å; K100-S109 PolarHBondContact NZ-OG 3.05Å; R107-S109 PolarHBondContact O-N 3.29Å
110	H	50.7	Low	67.1	Low	150 Å²	150	77.7 Å²	77.7	69%	0.694	42%	0.417	S	S	*	.			trans	-56.7	149.1	-167.2	-141.5	-67.4	0	0	0	113.4	S108 R112 S113	S108-H110 PolarHBondContact O-N 3.17Å; H110-R112 PolarHBondContact O-N 3.03Å; H110-S113 PolarHBondContact O-N 3.14Å; H110-S113 VanDerWaalsContact O-N 3.12Å; H110-S113 PolarHBondContact O-OG 3.4Å
111	D	56.5	Low	67.3	Low	95 Å²	95	76.7 Å²	76.7	51%	0.508	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-61.9	-3.3	-174.7	-162.7	53.6	0	0	0	115.6	S113 W114 R175	D111-S113 VanDerWaalsContact C-N 3.26Å; D111-S113 PolarHBondContact O-N 2.88Å; D111-W114 PolarHBondContact OD1-NE1 3.43Å; D111-R175 IonicContact OD1-CZ 2.7Å; D111-R175 IonicContact OD1-NE 2.84Å; D111-R175 PolarHBondContact OD1-NE 3.17Å; D111-R175 IonicContact OD1-NH2 2.91Å; D111-R175 PolarHBondContact OD1-NH2 3.3Å; D111-R175 IonicContact OD2-CZ 2.76Å; D111-R175 IonicContact OD2-NE 3.15Å; D111-R175 IonicContact OD2-NH2 2.7Å; D111-R175 PolarHBondContact OD2-NH2 3.15Å
112	R	58.7	Low	67.7	Low	220 Å²	220	71.7 Å²	71.7	83%	0.83	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-74.7	-9.7	172.1	-61.2	-172.3	-177	-163.8	2.6	113.8	H110 W114	H110-R112 PolarHBondContact O-N 3.03Å; R112-W114 VanDerWaalsContact C-N 3.32Å; R112-W114 PolarHBondContact O-N 3.06Å
113	S	71.9	Confident	68.2	Low	47 Å²	47	72 Å²	72	33%	0.329	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-84.5	5.6	-174.6	74.3	0	0	0	0	115.2	K100 H110 D111	K100-S113 WeakPolarHBondContact CD-OG 3.46Å; K100-S113 WeakPolarHBondContact CE-OG 3.18Å; K100-S113 PolarHBondContact NZ-OG 3.13Å; H110-S113 PolarHBondContact O-N 3.14Å; H110-S113 VanDerWaalsContact O-N 3.12Å; H110-S113 PolarHBondContact O-OG 3.4Å; D111-S113 VanDerWaalsContact C-N 3.26Å; D111-S113 PolarHBondContact O-N 2.88Å
114	W	81.5	Confident	69.4	Low	21 Å²	21	71.2 Å²	71.2	8%	0.08	38%	0.379	C	S	.	.			trans	-92	126.5	177.9	-67.7	92.6	0	0	0	110.3	K100 D111 R112 V173 V178 L190 Q192	K100-W114 HydrophobicContact CB-CD2 3.66Å; K100-W114 HydrophobicContact CB-CE3 3.56Å; K100-W114 HydrophobicContact CB-CG 4.28Å; K100-W114 HydrophobicContact CB-CH2 4.1Å; K100-W114 HydrophobicContact CB-CZ2 4.17Å; K100-W114 HydrophobicContact CB-CZ3 3.79Å; K100-W114 HydrophobicContact CD-CD2 4.23Å; K100-W114 HydrophobicContact CD-CZ2 3.97Å; D111-W114 PolarHBondContact OD1-NE1 3.43Å; R112-W114 VanDerWaalsContact C-N 3.32Å; R112-W114 PolarHBondContact O-N 3.06Å; W114-V173 HydrophobicContact CH2-CG1 4.44Å; W114-V173 HydrophobicContact CZ2-CG1 3.74Å; W114-V178 HydrophobicContact CH2-CG1 4.06Å; W114-L190 HydrophobicContact CH2-CB 3.88Å; W114-L190 HydrophobicContact CZ3-CB 4.31Å; W114-Q192 HydrophobicContact CZ3-CB 4.04Å
115	Q	84.9	Confident	71.2	Confident	110 Å²	110	64.1 Å²	64.1	51%	0.514	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	146.1	178	-65.5	-58.6	-39.9	0	0	110.9	Y98 H99 Y117	Y98-Q115 CarbonylContact C-O 3.5Å; Y98-Q115 VanDerWaalsContact CA-O 3.25Å; Y98-Q115 WeakPolarHBondContact CA-O 3.45Å; H99-Q115 PolarHBondContact N-O 2.96Å; H99-Q115 PolarHBondContact O-N 3.47Å; Q115-Y117 HydrophobicContact CB-CD2 4.39Å; Q115-Y117 HydrophobicContact CB-CE2 3.56Å; Q115-Y117 WeakPolarHBondContact O-CD2 3.27Å
116	L	87.8	Confident	73.7	Confident	36 Å²	36	60.5 Å²	60.5	19%	0.188	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	126.1	-177.6	-177.6	64.1	0	0	0	110.6	I96 Y98	I96-L116 HydrophobicContact CG2-CD1 3.43Å; I96-L116 VanDerWaalsContact CG2-CD1 3.43Å; Y98-L116 HydrophobicContact CD1-CB 4.24Å; Y98-L116 HydrophobicContact CD1-CD1 4.02Å; Y98-L116 HydrophobicContact CD2-CD1 4.24Å; Y98-L116 HydrophobicContact CE1-CB 4.21Å; Y98-L116 HydrophobicContact CE1-CD1 3.79Å; Y98-L116 HydrophobicContact CE1-CG 4.47Å; Y98-L116 HydrophobicContact CE2-CD1 4Å; Y98-L116 HydrophobicContact CG-CD1 4.24Å
117	Y	89.1	Confident	75.9	Confident	38 Å²	38	56.9 Å²	56.9	15%	0.149	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	152.1	177.6	-63	-81.9	0	0	0	111.1	L97 H99 Q115 L128 C129 P130 S156	L97-Y117 PolarHBondContact N-O 3.14Å; L97-Y117 VanDerWaalsContact N-O 3.07Å; L97-Y117 PolarHBondContact O-N 2.83Å; H99-Y117 HydrophobicContact CB-CD2 3.71Å; H99-Y117 HydrophobicContact CB-CE2 3.77Å; H99-Y117 AromaticContact CE1-CE2 3.33Å; H99-Y117 WeakPolarHBondContact CE1-CE2 3.39Å; H99-Y117 AromaticContact CE1-CZ 3.87Å; Q115-Y117 HydrophobicContact CB-CD2 4.39Å; Q115-Y117 HydrophobicContact CB-CE2 3.56Å; Q115-Y117 WeakPolarHBondContact O-CD2 3.27Å; Y117-L128 HydrophobicContact CD1-CB 3.93Å; Y117-L128 HydrophobicContact CD2-CD1 4.49Å; Y117-L128 HydrophobicContact CG-CB 3.94Å; Y117-C129 WeakPolarHBondContact CA-O 3.48Å; Y117-P130 HydrophobicContact CD1-CG 4.44Å; Y117-P130 HydrophobicContact CE1-CG 4.18Å; Y117-S156 WeakPolarHBondContact CE1-OG 3.49Å
118	W	87	Confident	78.3	Confident	26 Å²	26	49 Å²	49	10%	0.098	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	130.1	152.8	-154.8	-85	0	0	0	108.5	I19 I23 E94 I96 F120 C129 M134	I19-W118 HydrophobicContact CB-CE3 4.35Å; I19-W118 HydrophobicContact CB-CZ3 4.12Å; I19-W118 HydrophobicContact CG2-CD2 4.26Å; I19-W118 HydrophobicContact CG2-CE3 3.44Å; I19-W118 VanDerWaalsContact CG2-CE3 3.44Å; I19-W118 HydrophobicContact CG2-CH2 4.48Å; I19-W118 HydrophobicContact CG2-CZ3 3.54Å; I23-W118 HydrophobicContact CD1-CD2 3.63Å; I23-W118 HydrophobicContact CD1-CE3 4.05Å; I23-W118 HydrophobicContact CD1-CG 4.31Å; I23-W118 HydrophobicContact CD1-CH2 3.63Å; I23-W118 HydrophobicContact CD1-CZ2 3.18Å; I23-W118 HydrophobicContact CD1-CZ3 4.02Å; E94-W118 PolarHBondContact OE2-NE1 3.39Å; I96-W118 HydrophobicContact CD1-CE3 4.49Å; I96-W118 HydrophobicContact CD1-CH2 4.44Å; I96-W118 HydrophobicContact CD1-CZ3 3.79Å; I96-W118 HydrophobicContact CG1-CE3 3.62Å; I96-W118 HydrophobicContact CG1-CH2 3.86Å; I96-W118 HydrophobicContact CG1-CZ3 3.23Å; W118-F120 HydrophobicContact CB-CE2 4.39Å; W118-F120 AromaticContact CD1-CE1 3.74Å; W118-F120 AromaticContact CD1-CE2 3.47Å; W118-F120 VanDerWaalsContact CD1-CE2 3.47Å; W118-F120 AromaticContact CD1-CZ 3.26Å; W118-F120 HydrophobicContact CG-CE2 4.26Å; W118-F120 HydrophobicContact CG-CZ 4.2Å; W118-F120 AromaticContact NE1-CE1 3.88Å; W118-F120 AromaticContact NE1-CZ 3.81Å; W118-C129 PolarHBondContact N-O 3.41Å; W118-C129 PolarHBondContact O-N 2.95Å; W118-M134 HydrophobicContact CB-CG 4.42Å
119	A	90.5	Very high	80.4	Confident	0 Å²	0	43 Å²	43	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	137.1	-177.3	0	0	0	0	0	110.2	E94 G95 L97 L126 H127 L128 W202	E94-A119 CarbonylContact C-O 3.55Å; E94-A119 VanDerWaalsContact CA-O 3.23Å; E94-A119 WeakPolarHBondContact CA-O 3.37Å; G95-A119 PolarHBondContact N-O 2.9Å; G95-A119 VanDerWaalsContact N-O 3.07Å; G95-A119 PolarHBondContact O-N 2.76Å; L97-A119 HydrophobicContact CB-CB 4.41Å; L97-A119 HydrophobicContact CD1-CB 3.72Å; L97-A119 HydrophobicContact CG-CB 4.1Å; A119-L126 HydrophobicContact CB-CD1 4.17Å; A119-H127 CarbonylContact C-O 3.57Å; A119-H127 WeakPolarHBondContact CA-O 3.4Å; A119-L128 HydrophobicContact CB-CD2 3.64Å; A119-W202 HydrophobicContact CB-CH2 3.58Å; A119-W202 HydrophobicContact CB-CZ2 4.07Å; A119-W202 HydrophobicContact CB-CZ3 4.22Å
120	F	90.5	Very high	82.2	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.3	170.7	-56.2	-92.3	0	0	0	109.1	E94 W118 I122 L126 H127 C129 M134 F147 I151	E94-F120 HydrophobicContact CB-CD1 3.82Å; E94-F120 HydrophobicContact CB-CE1 4.11Å; E94-F120 WeakPolarHBondContact OE2-CE1 3.39Å; W118-F120 HydrophobicContact CB-CE2 4.39Å; W118-F120 AromaticContact CD1-CE1 3.74Å; W118-F120 AromaticContact CD1-CE2 3.47Å; W118-F120 VanDerWaalsContact CD1-CE2 3.47Å; W118-F120 AromaticContact CD1-CZ 3.26Å; W118-F120 HydrophobicContact CG-CE2 4.26Å; W118-F120 HydrophobicContact CG-CZ 4.2Å; W118-F120 AromaticContact NE1-CE1 3.88Å; W118-F120 AromaticContact NE1-CZ 3.81Å; F120-I122 HydrophobicContact CB-CD1 4.11Å; F120-I122 HydrophobicContact CB-CG1 3.9Å; F120-L126 CarbonylContact O-C 3.58Å; F120-L126 WeakPolarHBondContact O-CA 3.43Å; F120-H127 HydrophobicContact CB-CB 4.48Å; F120-H127 PolarHBondContact N-O 2.88Å; F120-H127 PolarHBondContact O-N 3.4Å; F120-C129 HydrophobicContact CE2-CB 4.27Å; F120-M134 HydrophobicContact CE2-CE 3.53Å; F120-M134 HydrophobicContact CZ-CE 3.52Å; F120-M134 HydrophobicContact CZ-SD 4.36Å; F120-F147 HydrophobicContact CE1-CE1 4.37Å; F120-F147 HydrophobicContact CE1-CZ 4.46Å; F120-I151 HydrophobicContact CB-CD1 4.45Å; F120-I151 HydrophobicContact CB-CG2 4.12Å; F120-I151 HydrophobicContact CD1-CD1 3.57Å; F120-I151 HydrophobicContact CD1-CG1 4.48Å; F120-I151 HydrophobicContact CD2-CD1 4.01Å; F120-I151 HydrophobicContact CD2-CG1 4.08Å; F120-I151 HydrophobicContact CD2-CG2 3.63Å; F120-I151 HydrophobicContact CE1-CD1 3.67Å; F120-I151 HydrophobicContact CE1-CG1 4.4Å; F120-I151 HydrophobicContact CE2-CD1 4.11Å; F120-I151 HydrophobicContact CE2-CG1 4.01Å; F120-I151 HydrophobicContact CE2-CG2 4.27Å; F120-I151 HydrophobicContact CG-CD1 3.74Å; F120-I151 HydrophobicContact CG-CG1 4.32Å; F120-I151 HydrophobicContact CG-CG2 3.98Å; F120-I151 HydrophobicContact CZ-CD1 3.93Å; F120-I151 HydrophobicContact CZ-CG1 4.16Å
121	L	91	Very high	82.9	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	103.7	170	-175.5	57.3	0	0	0	107.8	Y92 R93 L126 V161 A205 L206 C209	Y92-L121 PolarHBondContact N-O 3.25Å; R93-L121 HydrophobicContact CB-CB 4.25Å; R93-L121 PolarHBondContact O-N 2.86Å; L121-L126 HydrophobicContact CB-CD1 4.21Å; L121-L126 HydrophobicContact CD1-CB 4.28Å; L121-L126 HydrophobicContact CD1-CD1 4.45Å; L121-V161 HydrophobicContact CD1-CG1 4.25Å; L121-V161 HydrophobicContact CD1-CG2 3.83Å; L121-A205 HydrophobicContact CD2-CB 3.83Å; L121-L206 HydrophobicContact CD1-CD2 3.98Å; L121-L206 HydrophobicContact CD2-CD2 4.13Å; L121-L206 HydrophobicContact CD2-CG 4.48Å; L121-C209 HydrophobicContact CD1-CB 4.3Å; L121-C209 HydrophobicContact CD2-CB 4.25Å; L121-C209 WeakPolarHBondContact CD2-SG 3.27Å; L121-C209 HydrophobicContact CG-CB 4.41Å
122	I	86.9	Confident	83.5	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	120.7	-178	-43.8	-173.9	0	0	0	107.6	T90 I91 F120 H124 T125 V148 I151	T90-I122 WeakPolarHBondContact O-CA 3.38Å; I91-I122 HydrophobicContact CG1-CD1 4.44Å; I91-I122 HydrophobicContact CG1-CG1 4.3Å; F120-I122 HydrophobicContact CB-CD1 4.11Å; F120-I122 HydrophobicContact CB-CG1 3.9Å; I122-H124 PolarHBondContact O-N 3.01Å; I122-T125 PolarHBondContact N-O 2.95Å; I122-T125 PolarHBondContact O-N 3.46Å; I122-V148 HydrophobicContact CD1-CG1 4.06Å; I122-V148 HydrophobicContact CG2-CG1 3.98Å; I122-I151 HydrophobicContact CD1-CB 4.18Å; I122-I151 HydrophobicContact CD1-CD1 4.09Å; I122-I151 HydrophobicContact CD1-CG2 3.8Å
123	D	82.5	Confident	83.8	Confident	32 Å²	32	32.4 Å²	32.4	17%	0.171	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	-99.8	-177	-33.9	-50.9	0	0	0	112.5	S88 T90 R152 C209	S88-D123 VanDerWaalsContact O-OD1 3.05Å; T90-D123 PolarHBondContact N-OD1 2.87Å; T90-D123 PolarHBondContact O-N 3.02Å; T90-D123 VanDerWaalsContact O-N 3.12Å; D123-R152 IonicContact OD2-NH2 2.69Å; D123-R152 PolarHBondContact OD2-NH2 3.36Å; D123-C209 WeakPolarHBondContact O-CB 3.44Å
124	H	85.6	Confident	83.4	Confident	41 Å²	41	30.3 Å²	30.3	19%	0.19	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.2	25.1	174.1	-44.2	-81.7	0	0	0	112.9	I122 V161 R162 C209	I122-H124 PolarHBondContact O-N 3.01Å; H124-V161 VanDerWaalsContact C-CG2 3.4Å; H124-V161 HydrophobicContact CB-CG2 4.3Å; H124-V161 VanDerWaalsContact O-CG2 3.24Å; H124-V161 WeakPolarHBondContact O-CG2 3.43Å; H124-V161 PolarHBondContact O-N 3.49Å; H124-R162 HydrophobicContact CB-CG 3.53Å; H124-C209 PolarHBondContact ND1-O 3.5Å
125	T	87.7	Confident	82.3	Confident	33 Å²	33	33.1 Å²	33.1	20%	0.202	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	126.5	179.6	-47.3	0	0	0	0	111.6	I122 H127 I159	I122-T125 PolarHBondContact N-O 2.95Å; I122-T125 PolarHBondContact O-N 3.46Å; T125-H127 WeakPolarHBondContact CG2-NE2 3.49Å; T125-I159 WeakPolarHBondContact CA-O 3.38Å
126	L	92.1	Very high	81	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	108.7	170.2	-177.2	72.4	0	0	0	109.4	A119 F120 L121 L128 I159 V161 F191 W202 L206	A119-L126 HydrophobicContact CB-CD1 4.17Å; F120-L126 CarbonylContact O-C 3.58Å; F120-L126 WeakPolarHBondContact O-CA 3.43Å; L121-L126 HydrophobicContact CB-CD1 4.21Å; L121-L126 HydrophobicContact CD1-CB 4.28Å; L121-L126 HydrophobicContact CD1-CD1 4.45Å; L126-L128 HydrophobicContact CD2-CD2 4.37Å; L126-L128 HydrophobicContact CG-CD2 4.24Å; L126-I159 HydrophobicContact CB-CB 4.28Å; L126-I159 HydrophobicContact CD2-CD1 4.48Å; L126-I159 PolarHBondContact N-O 3.28Å; L126-I159 PolarHBondContact O-N 2.96Å; L126-V161 HydrophobicContact CB-CG1 3.95Å; L126-F191 HydrophobicContact CD2-CE1 4.35Å; L126-F191 HydrophobicContact CD2-CE2 4.25Å; L126-F191 HydrophobicContact CD2-CZ 3.79Å; L126-W202 HydrophobicContact CD1-CE3 4.46Å; L126-W202 HydrophobicContact CD1-CH2 4.42Å; L126-W202 HydrophobicContact CD1-CZ3 3.69Å; L126-L206 HydrophobicContact CB-CD2 4.49Å; L126-L206 HydrophobicContact CD1-CD2 4.45Å; L126-L206 HydrophobicContact CD2-CD2 4.25Å
127	H	90.7	Very high	79.4	Confident	13 Å²	13	31.9 Å²	31.9	6%	0.06	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	125.3	179	-71.1	-89.8	0	0	0	111.1	A119 F120 T125 I151 A155	A119-H127 CarbonylContact C-O 3.57Å; A119-H127 WeakPolarHBondContact CA-O 3.4Å; F120-H127 HydrophobicContact CB-CB 4.48Å; F120-H127 PolarHBondContact N-O 2.88Å; F120-H127 PolarHBondContact O-N 3.4Å; T125-H127 WeakPolarHBondContact CG2-NE2 3.49Å; H127-I151 HydrophobicContact CB-CG2 3.73Å; H127-A155 HydrophobicContact CB-CB 3.86Å
128	L	91.2	Very high	77.5	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	103.1	179.1	-57.3	-177.3	0	0	0	111.5	H99 Y117 A119 L126 S156 L157 I159 F191	H99-L128 HydrophobicContact CB-CD1 4.12Å; Y117-L128 HydrophobicContact CD1-CB 3.93Å; Y117-L128 HydrophobicContact CD2-CD1 4.49Å; Y117-L128 HydrophobicContact CG-CB 3.94Å; A119-L128 HydrophobicContact CB-CD2 3.64Å; L126-L128 HydrophobicContact CD2-CD2 4.37Å; L126-L128 HydrophobicContact CG-CD2 4.24Å; L128-S156 PolarHBondContact O-N 3.15Å; L128-S156 PolarHBondContact O-OG 3.3Å; L128-L157 HydrophobicContact CB-CB 4.39Å; L128-L157 HydrophobicContact CD1-CB 4.43Å; L128-L157 HydrophobicContact CD1-CD2 4.16Å; L128-L157 HydrophobicContact CD1-CG 4.46Å; L128-L157 PolarHBondContact N-O 3.32Å; L128-I159 HydrophobicContact CD1-CD1 4.04Å; L128-F191 HydrophobicContact CD1-CE1 3.85Å; L128-F191 HydrophobicContact CD1-CZ 4.23Å; L128-F191 HydrophobicContact CD2-CE1 4.18Å
129	C	87.3	Confident	75.6	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	123.8	179.8	-67.3	0	0	0	0	110.9	Y117 W118 F120 M134	Y117-C129 WeakPolarHBondContact CA-O 3.48Å; W118-C129 PolarHBondContact N-O 3.41Å; W118-C129 PolarHBondContact O-N 2.95Å; F120-C129 HydrophobicContact CE2-CB 4.27Å; C129-M134 HydrophobicContact CB-CE 4.14Å; C129-M134 HydrophobicContact CB-CG 4.38Å
130	P	82.6	Confident	73.4	Confident	30 Å²	30	39.6 Å²	39.6	20%	0.195	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	149.6	175.1	-21.8	31.6	0	0	0	113	Y117 K132 S133 M134 S156	Y117-P130 HydrophobicContact CD1-CG 4.44Å; Y117-P130 HydrophobicContact CE1-CG 4.18Å; P130-K132 PolarHBondContact O-N 3.16Å; P130-K132 VanDerWaalsContact O-N 3.1Å; P130-S133 PolarHBondContact O-N 3.06Å; P130-M134 PolarHBondContact O-N 3.25Å; P130-S156 WeakPolarHBondContact CD-OG 3.18Å; P130-S156 WeakPolarHBondContact CG-OG 3.28Å
131	E	65.8	Low	71.4	Confident	37 Å²	37	43.8 Å²	43.8	17%	0.173	26%	0.258	C	S	.	.	H	α-helix	trans	-47.5	-41.6	174	178.4	-179.2	-168.9	0	0	112.4	R15 I19 S133 L135	R15-E131 WeakPolarHBondContact CD-OE1 3.42Å; R15-E131 WeakPolarHBondContact CG-OE1 3.46Å; R15-E131 IonicContact CZ-OE1 3.91Å; R15-E131 IonicContact CZ-OE2 3.5Å; R15-E131 IonicContact NE-OE1 3.77Å; R15-E131 IonicContact NH1-OE1 3.95Å; R15-E131 IonicContact NH1-OE2 3.74Å; R15-E131 PolarHBondContact NH1-OE2 3.27Å; I19-E131 HydrophobicContact CD1-CG 4.21Å; E131-S133 PolarHBondContact O-N 2.85Å; E131-L135 HydrophobicContact CG-CD1 3.94Å; E131-L135 WeakPolarHBondContact O-CG 3.42Å; E131-L135 PolarHBondContact O-N 2.96Å
132	K	68.1	Low	69.5	Low	183 Å²	183	45.3 Å²	45.3	80%	0.796	27%	0.267	S	S	*	.	H	α-helix	trans	-64.2	-35.7	179.1	-66.2	-175	178	-176.2	0	113.6	P130	P130-K132 PolarHBondContact O-N 3.16Å; P130-K132 VanDerWaalsContact O-N 3.1Å
133	S	66	Low	67.8	Low	33 Å²	33	48.2 Å²	48.2	23%	0.231	29%	0.292	C	S	.	.	H	α-helix	trans	-75.7	-33.2	-175.6	-50.6	0	0	0	0	112.1	P130 E131	P130-S133 PolarHBondContact O-N 3.06Å; E131-S133 PolarHBondContact O-N 2.85Å
134	M	62.3	Low	66.1	Low	4 Å²	4	49.1 Å²	49.1	2%	0.02	30%	0.304	C	S	.	.	H	α-helix	trans	-70.4	-38.9	174.7	-85.3	-72.9	143.6	0	0	112.7	F22 W118 F120 C129 P130 A136 F150	F22-M134 HydrophobicContact CD1-SD 4.3Å; F22-M134 HydrophobicContact CE1-SD 3.81Å; W118-M134 HydrophobicContact CB-CG 4.42Å; F120-M134 HydrophobicContact CE2-CE 3.53Å; F120-M134 HydrophobicContact CZ-CE 3.52Å; F120-M134 HydrophobicContact CZ-SD 4.36Å; C129-M134 HydrophobicContact CB-CE 4.14Å; C129-M134 HydrophobicContact CB-CG 4.38Å; P130-M134 PolarHBondContact O-N 3.25Å; M134-A136 PolarHBondContact O-N 3.01Å; M134-A136 VanDerWaalsContact O-N 3.17Å; M134-F150 HydrophobicContact CE-CE1 4.12Å
135	L	59.8	Low	64.3	Low	80 Å²	80	55.8 Å²	55.8	42%	0.419	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	3	-179.4	-65.6	171.9	0	0	0	114.2	R18 E131	R18-L135 HydrophobicContact CG-CD2 4.33Å; E131-L135 HydrophobicContact CG-CD1 3.94Å; E131-L135 WeakPolarHBondContact O-CG 3.42Å; E131-L135 PolarHBondContact O-N 2.96Å
136	A	56.5	Low	63.1	Low	80 Å²	80	61.1 Å²	61.1	66%	0.661	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	3.6	-176.3	0	0	0	0	0	114.4	M134	M134-A136 PolarHBondContact O-N 3.01Å; M134-A136 VanDerWaalsContact O-N 3.17Å
137	V	55.4	Low	62	Low	39 Å²	39	61.5 Å²	61.5	24%	0.236	36%	0.357	C	S	.	.	S	Bend	trans	-120.8	143.1	-178.4	162.2	0	0	0	0	111.6	F22 V142 F150	F22-V137 VanDerWaalsContact CE2-O 3.23Å; F22-V137 WeakPolarHBondContact CE2-O 3.38Å; F22-V137 HydrophobicContact CZ-CB 4.3Å; F22-V137 HydrophobicContact CZ-CG1 4.16Å; V137-V142 HydrophobicContact CG1-CG2 4.13Å; V137-F150 HydrophobicContact CB-CZ 4.14Å; V137-F150 HydrophobicContact CG2-CD2 4.25Å; V137-F150 HydrophobicContact CG2-CE1 4.22Å; V137-F150 HydrophobicContact CG2-CE2 3.32Å; V137-F150 HydrophobicContact CG2-CZ 3.31Å
138	S	47.6	Very low	61	Low	60 Å²	60	61.4 Å²	61.4	42%	0.42	36%	0.357	S	S	.	.			trans	-83.1	134	166	49.8	0	0	0	0	110.3	T140 S141	S138-T140 PolarHBondContact O-N 2.78Å; S138-S141 PolarHBondContact O-N 2.85Å
139	P	47.8	Very low	60.1	Low	37 Å²	37	67.4 Å²	67.4	24%	0.24	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-7.3	-177	27.9	-35.1	0	0	0	113.8	F22 L25	F22-P139 HydrophobicContact CD2-CB 4.49Å; F22-P139 HydrophobicContact CE2-CB 4.17Å; L25-P139 HydrophobicContact CB-CB 4.1Å; L25-P139 HydrophobicContact CB-CG 4.12Å; L25-P139 HydrophobicContact CD1-CG 4.36Å
140	T	44.6	Very low	59.6	Low	129 Å²	129	68.3 Å²	68.3	79%	0.791	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-8	179.2	17.7	0	0	0	0	115.2	S138	S138-T140 PolarHBondContact O-N 2.78Å
141	S	48.9	Very low	59.5	Low	89 Å²	89	66.9 Å²	66.9	62%	0.622	38%	0.38	S	S	*	.	S	Bend	trans	-99.2	-2.1	-166.5	-160.4	0	0	0	0	115.4	S138	S138-S141 PolarHBondContact O-N 2.85Å
142	V	51.2	Low	60.2	Low	31 Å²	31	69.8 Å²	69.8	19%	0.188	39%	0.389	C	S	.	.			trans	-130.6	102.1	-165.5	-169.1	0	0	0	0	111.6	V137 K146 F147	V137-V142 HydrophobicContact CG1-CG2 4.13Å; V142-K146 HydrophobicContact CG1-CB 3.77Å; V142-F147 HydrophobicContact CG1-CB 3.88Å; V142-F147 HydrophobicContact CG1-CD2 4.29Å
143	A	49.4	Very low	60.8	Low	62 Å²	62	66.4 Å²	66.4	51%	0.512	38%	0.376	S	S	.	.			trans	-59.8	151.5	167.9	0	0	0	0	0	111	Q145 K146 F147	A143-Q145 VanDerWaalsContact C-N 3.32Å; A143-Q145 PolarHBondContact O-N 3.05Å; A143-Q145 VanDerWaalsContact O-N 3.14Å; A143-K146 WeakPolarHBondContact O-CA 3.44Å; A143-K146 WeakPolarHBondContact O-CB 3.19Å; A143-K146 PolarHBondContact O-N 3.22Å; A143-F147 PolarHBondContact O-N 2.86Å
144	A	48.3	Very low	61.4	Low	51 Å²	51	68.6 Å²	68.6	42%	0.421	38%	0.382	S	S	.	.	H	α-helix	trans	-49.1	-47.5	-171.2	0	0	0	0	0	114.3	Q30 K146 F147	Q30-A144 VanDerWaalsContact NE2-CB 3.26Å; A144-K146 PolarHBondContact O-N 3.22Å; A144-K146 VanDerWaalsContact O-N 3.16Å; A144-F147 PolarHBondContact O-N 3.37Å; A144-F147 VanDerWaalsContact O-N 3.13Å
145	Q	47.6	Very low	62.4	Low	181 Å²	181	69.5 Å²	69.5	85%	0.846	39%	0.389	S	S	*	.	H	α-helix	trans	-62.7	-18.9	178.8	-68.2	166.8	-23.8	0	0	114	A143	A143-Q145 VanDerWaalsContact C-N 3.32Å; A143-Q145 PolarHBondContact O-N 3.05Å; A143-Q145 VanDerWaalsContact O-N 3.14Å
146	K	62.3	Low	63.5	Low	144 Å²	144	68.8 Å²	68.8	63%	0.626	39%	0.391	S	S	*	.	H	α-helix	trans	-93.3	-15.3	177.6	-63.6	-176.3	179.7	-179.8	0	113.3	V142 A143 A144 F150	V142-K146 HydrophobicContact CG1-CB 3.77Å; A143-K146 WeakPolarHBondContact O-CA 3.44Å; A143-K146 WeakPolarHBondContact O-CB 3.19Å; A143-K146 PolarHBondContact O-N 3.22Å; A144-K146 PolarHBondContact O-N 3.22Å; A144-K146 VanDerWaalsContact O-N 3.16Å; K146-F150 WeakPolarHBondContact O-CB 3.25Å; K146-F150 PolarHBondContact O-N 3.01Å
147	F	68.6	Low	65	Low	8 Å²	8	67.3 Å²	67.3	4%	0.035	37%	0.372	C	S	.	.	H	α-helix	trans	-74.5	-40.4	-175.1	-173.8	-108.2	0	0	0	113.2	Y26 I91 F120 V142 A143 A144 H149 F150 I151	Y26-F147 HydrophobicContact CD1-CE1 4.19Å; Y26-F147 HydrophobicContact CD1-CE2 4.38Å; Y26-F147 AromaticContact CD1-CZ 3.97Å; Y26-F147 HydrophobicContact CD1-CZ 3.97Å; Y26-F147 HydrophobicContact CD2-CD2 4.17Å; Y26-F147 HydrophobicContact CD2-CE2 4.03Å; Y26-F147 HydrophobicContact CD2-CZ 4.44Å; Y26-F147 AromaticContact CE1-CD1 3.78Å; Y26-F147 HydrophobicContact CE1-CD1 3.78Å; Y26-F147 HydrophobicContact CE1-CD2 4.38Å; Y26-F147 AromaticContact CE1-CE1 3.46Å; Y26-F147 HydrophobicContact CE1-CE1 3.46Å; Y26-F147 VanDerWaalsContact CE1-CE1 3.46Å; Y26-F147 HydrophobicContact CE1-CE2 4.15Å; Y26-F147 HydrophobicContact CE1-CG 4.21Å; Y26-F147 AromaticContact CE1-CZ 3.68Å; Y26-F147 HydrophobicContact CE1-CZ 3.68Å; Y26-F147 HydrophobicContact CE2-CB 4.18Å; Y26-F147 HydrophobicContact CE2-CD1 4.16Å; Y26-F147 AromaticContact CE2-CD2 3.52Å; Y26-F147 HydrophobicContact CE2-CD2 3.52Å; Y26-F147 HydrophobicContact CE2-CE1 4.35Å; Y26-F147 AromaticContact CE2-CE2 3.79Å; Y26-F147 HydrophobicContact CE2-CE2 3.79Å; Y26-F147 AromaticContact CE2-CG 3.71Å; Y26-F147 HydrophobicContact CE2-CG 3.71Å; Y26-F147 HydrophobicContact CE2-CZ 4.19Å; Y26-F147 HydrophobicContact CG-CE2 4.33Å; Y26-F147 HydrophobicContact CG-CZ 4.34Å; Y26-F147 AromaticContact CZ-CD1 3.39Å; Y26-F147 AromaticContact CZ-CD2 3.66Å; Y26-F147 AromaticContact CZ-CE1 3.56Å; Y26-F147 AromaticContact CZ-CE2 3.86Å; Y26-F147 AromaticContact CZ-CG 3.41Å; Y26-F147 VanDerWaalsContact CZ-CG 3.41Å; Y26-F147 AromaticContact CZ-CZ 3.8Å; Y26-F147 VanDerWaalsContact OH-CB 3.27Å; Y26-F147 WeakPolarHBondContact OH-CB 3.49Å; Y26-F147 WeakPolarHBondContact OH-CD1 3.14Å; Y26-F147 WeakPolarHBondContact OH-CG 3.31Å; I91-F147 HydrophobicContact CD1-CD1 4.4Å; I91-F147 HydrophobicContact CD1-CE1 4.41Å; F120-F147 HydrophobicContact CE1-CE1 4.37Å; F120-F147 HydrophobicContact CE1-CZ 4.46Å; V142-F147 HydrophobicContact CG1-CB 3.88Å; V142-F147 HydrophobicContact CG1-CD2 4.29Å; A143-F147 PolarHBondContact O-N 2.86Å; A144-F147 PolarHBondContact O-N 3.37Å; A144-F147 VanDerWaalsContact O-N 3.13Å; F147-H149 VanDerWaalsContact C-N 3.32Å; F147-H149 PolarHBondContact O-N 2.84Å; F147-F150 HydrophobicContact CD2-CD1 4.4Å; F147-F150 HydrophobicContact CE2-CD1 4.46Å; F147-F150 WeakPolarHBondContact O-CB 3.37Å; F147-F150 PolarHBondContact O-N 2.81Å; F147-I151 HydrophobicContact CD1-CD1 3.63Å; F147-I151 HydrophobicContact CD1-CG1 4.42Å; F147-I151 HydrophobicContact CE1-CD1 3.35Å; F147-I151 HydrophobicContact CE1-CG1 4.21Å; F147-I151 HydrophobicContact CG-CD1 4.46Å; F147-I151 HydrophobicContact CZ-CD1 3.95Å; F147-I151 HydrophobicContact CZ-CG1 4.39Å; F147-I151 WeakPolarHBondContact O-CG1 3.45Å; F147-I151 PolarHBondContact O-N 3.06Å
148	V	70.1	Confident	66.5	Low	11 Å²	11	69 Å²	69	7%	0.067	39%	0.385	C	S	.	.	H	α-helix	trans	-64.8	-39.3	174.1	173.4	0	0	0	0	110.8	D89 I91 I122 I151 R152	D89-V148 HydrophobicContact CB-CB 4.42Å; D89-V148 HydrophobicContact CB-CG1 4.13Å; D89-V148 HydrophobicContact CB-CG2 4.32Å; D89-V148 WeakPolarHBondContact OD2-CG1 3.48Å; I91-V148 HydrophobicContact CD1-CG2 4.33Å; I91-V148 HydrophobicContact CG1-CG2 4.34Å; I122-V148 HydrophobicContact CD1-CG1 4.06Å; I122-V148 HydrophobicContact CG2-CG1 3.98Å; V148-I151 PolarHBondContact O-N 3.12Å; V148-R152 VanDerWaalsContact CG1-CZ 3.41Å; V148-R152 WeakPolarHBondContact O-CB 3.37Å; V148-R152 VanDerWaalsContact O-CG 3.3Å; V148-R152 WeakPolarHBondContact O-CG 3.21Å; V148-R152 PolarHBondContact O-N 3.29Å
149	H	73.2	Confident	68.3	Low	127 Å²	127	66.3 Å²	66.3	59%	0.588	37%	0.366	S	S	*	.	H	α-helix	trans	-59.8	-46.7	170.7	-170.5	-73.5	0	0	0	111.8	F147 I151 R152 E153	F147-H149 VanDerWaalsContact C-N 3.32Å; F147-H149 PolarHBondContact O-N 2.84Å; H149-I151 PolarHBondContact O-N 2.85Å; H149-R152 PolarHBondContact O-N 3.42Å; H149-E153 WeakPolarHBondContact O-CB 3.12Å; H149-E153 PolarHBondContact O-N 3.22Å
150	F	75.9	Confident	70.2	Confident	19 Å²	19	68 Å²	68	8%	0.083	37%	0.373	C	S	.	.	H	α-helix	trans	-60.3	-40.6	176.2	170.6	-97.3	0	0	0	112.9	M134 V137 K146 F147 E153 K154	M134-F150 HydrophobicContact CE-CE1 4.12Å; V137-F150 HydrophobicContact CB-CZ 4.14Å; V137-F150 HydrophobicContact CG2-CD2 4.25Å; V137-F150 HydrophobicContact CG2-CE1 4.22Å; V137-F150 HydrophobicContact CG2-CE2 3.32Å; V137-F150 HydrophobicContact CG2-CZ 3.31Å; K146-F150 WeakPolarHBondContact O-CB 3.25Å; K146-F150 PolarHBondContact O-N 3.01Å; F147-F150 HydrophobicContact CD2-CD1 4.4Å; F147-F150 HydrophobicContact CE2-CD1 4.46Å; F147-F150 WeakPolarHBondContact O-CB 3.37Å; F147-F150 PolarHBondContact O-N 2.81Å; F150-E153 PolarHBondContact O-N 3.37Å; F150-K154 HydrophobicContact CD2-CG 3.77Å; F150-K154 HydrophobicContact CE1-CG 4.2Å; F150-K154 HydrophobicContact CE2-CB 4.45Å; F150-K154 HydrophobicContact CE2-CD 4.06Å; F150-K154 HydrophobicContact CE2-CG 3.27Å; F150-K154 HydrophobicContact CG-CG 4.41Å; F150-K154 HydrophobicContact CZ-CB 4.3Å; F150-K154 HydrophobicContact CZ-CG 3.5Å; F150-K154 WeakPolarHBondContact O-CB 2.98Å; F150-K154 WeakPolarHBondContact O-CG 3.01Å; F150-K154 PolarHBondContact O-N 3.18Å
151	I	79.6	Confident	72.1	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-63.7	-46.9	173.4	-69.5	163.4	0	0	0	110.6	I91 F120 I122 H127 F147 V148 H149 E153 K154 A155	I91-I151 HydrophobicContact CD1-CD1 4.43Å; F120-I151 HydrophobicContact CB-CD1 4.45Å; F120-I151 HydrophobicContact CB-CG2 4.12Å; F120-I151 HydrophobicContact CD1-CD1 3.57Å; F120-I151 HydrophobicContact CD1-CG1 4.48Å; F120-I151 HydrophobicContact CD2-CD1 4.01Å; F120-I151 HydrophobicContact CD2-CG1 4.08Å; F120-I151 HydrophobicContact CD2-CG2 3.63Å; F120-I151 HydrophobicContact CE1-CD1 3.67Å; F120-I151 HydrophobicContact CE1-CG1 4.4Å; F120-I151 HydrophobicContact CE2-CD1 4.11Å; F120-I151 HydrophobicContact CE2-CG1 4.01Å; F120-I151 HydrophobicContact CE2-CG2 4.27Å; F120-I151 HydrophobicContact CG-CD1 3.74Å; F120-I151 HydrophobicContact CG-CG1 4.32Å; F120-I151 HydrophobicContact CG-CG2 3.98Å; F120-I151 HydrophobicContact CZ-CD1 3.93Å; F120-I151 HydrophobicContact CZ-CG1 4.16Å; I122-I151 HydrophobicContact CD1-CB 4.18Å; I122-I151 HydrophobicContact CD1-CD1 4.09Å; I122-I151 HydrophobicContact CD1-CG2 3.8Å; H127-I151 HydrophobicContact CB-CG2 3.73Å; F147-I151 HydrophobicContact CD1-CD1 3.63Å; F147-I151 HydrophobicContact CD1-CG1 4.42Å; F147-I151 HydrophobicContact CE1-CD1 3.35Å; F147-I151 HydrophobicContact CE1-CG1 4.21Å; F147-I151 HydrophobicContact CG-CD1 4.46Å; F147-I151 HydrophobicContact CZ-CD1 3.95Å; F147-I151 HydrophobicContact CZ-CG1 4.39Å; F147-I151 WeakPolarHBondContact O-CG1 3.45Å; F147-I151 PolarHBondContact O-N 3.06Å; V148-I151 PolarHBondContact O-N 3.12Å; H149-I151 PolarHBondContact O-N 2.85Å; I151-E153 PolarHBondContact O-N 3.07Å; I151-K154 PolarHBondContact O-N 3.19Å; I151-A155 VanDerWaalsContact O-CB 3.3Å; I151-A155 WeakPolarHBondContact O-CB 3.41Å; I151-A155 PolarHBondContact O-N 3.44Å
152	R	81.3	Confident	73.6	Confident	98 Å²	98	63 Å²	63	37%	0.37	33%	0.326	S	S	.	.	H	α-helix	trans	-58.4	-34.8	177.3	-72.9	171	176.3	155.8	1	111.5	D89 D123 V148 H149	D89-R152 IonicContact OD1-CZ 3.22Å; D89-R152 VanDerWaalsContact OD1-CZ 3.24Å; D89-R152 IonicContact OD1-NH1 3.12Å; D89-R152 PolarHBondContact OD1-NH1 3.35Å; D89-R152 IonicContact OD1-NH2 3.76Å; D89-R152 PolarHBondContact OD1-NH2 3.16Å; D89-R152 IonicContact OD2-CZ 2.67Å; D89-R152 IonicContact OD2-NH1 3.79Å; D89-R152 PolarHBondContact OD2-NH1 3.21Å; D89-R152 IonicContact OD2-NH2 2.89Å; D123-R152 IonicContact OD2-NH2 2.69Å; D123-R152 PolarHBondContact OD2-NH2 3.36Å; V148-R152 VanDerWaalsContact CG1-CZ 3.41Å; V148-R152 WeakPolarHBondContact O-CB 3.37Å; V148-R152 VanDerWaalsContact O-CG 3.3Å; V148-R152 WeakPolarHBondContact O-CG 3.21Å; V148-R152 PolarHBondContact O-N 3.29Å; H149-R152 PolarHBondContact O-N 3.42Å
153	E	80	Confident	74.7	Confident	112 Å²	112	66.1 Å²	66.1	52%	0.523	35%	0.349	S	S	.	.	H	α-helix	trans	-76.6	-41.5	177.1	-164.8	-151.9	135.3	0	0	114.1	H149 F150 I151	H149-E153 WeakPolarHBondContact O-CB 3.12Å; H149-E153 PolarHBondContact O-N 3.22Å; F150-E153 PolarHBondContact O-N 3.37Å; I151-E153 PolarHBondContact O-N 3.07Å
154	K	79.8	Confident	76.3	Confident	79 Å²	79	63.6 Å²	63.6	34%	0.343	33%	0.328	S	S	.	.	H	α-helix	trans	-93.2	-3.1	-175.2	-59.9	-43.8	-174.1	-168.6	0	114.9	F150 I151 S156	F150-K154 HydrophobicContact CD2-CG 3.77Å; F150-K154 HydrophobicContact CE1-CG 4.2Å; F150-K154 HydrophobicContact CE2-CB 4.45Å; F150-K154 HydrophobicContact CE2-CD 4.06Å; F150-K154 HydrophobicContact CE2-CG 3.27Å; F150-K154 HydrophobicContact CG-CG 4.41Å; F150-K154 HydrophobicContact CZ-CB 4.3Å; F150-K154 HydrophobicContact CZ-CG 3.5Å; F150-K154 WeakPolarHBondContact O-CB 2.98Å; F150-K154 WeakPolarHBondContact O-CG 3.01Å; F150-K154 PolarHBondContact O-N 3.18Å; I151-K154 PolarHBondContact O-N 3.19Å; K154-S156 PolarHBondContact O-N 2.94Å
155	A	82.7	Confident	78	Confident	22 Å²	22	64.4 Å²	64.4	18%	0.182	33%	0.325	C	S	.	.			trans	-65.5	119.9	173.9	0	0	0	0	0	111.1	H127 I151 L157	H127-A155 HydrophobicContact CB-CB 3.86Å; I151-A155 VanDerWaalsContact O-CB 3.3Å; I151-A155 WeakPolarHBondContact O-CB 3.41Å; I151-A155 PolarHBondContact O-N 3.44Å; A155-L157 VanDerWaalsContact C-N 3.32Å
156	S	83.3	Confident	80	Confident	66 Å²	66	56 Å²	56	46%	0.462	29%	0.285	S	S	.	.	S	Bend	trans	-77.9	-18.9	176.5	62.4	0	0	0	0	113.8	Y117 L128 P130 K154	Y117-S156 WeakPolarHBondContact CE1-OG 3.49Å; L128-S156 PolarHBondContact O-N 3.15Å; L128-S156 PolarHBondContact O-OG 3.3Å; P130-S156 WeakPolarHBondContact CD-OG 3.18Å; P130-S156 WeakPolarHBondContact CG-OG 3.28Å; K154-S156 PolarHBondContact O-N 2.94Å
157	L	86.6	Confident	81.3	Confident	48 Å²	48	51.1 Å²	51.1	25%	0.251	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	124.6	174.3	177.2	57	0	0	0	107.8	H99 L128 A155 I159	H99-L157 WeakPolarHBondContact NE2-CD2 3.32Å; L128-L157 HydrophobicContact CB-CB 4.39Å; L128-L157 HydrophobicContact CD1-CB 4.43Å; L128-L157 HydrophobicContact CD1-CD2 4.16Å; L128-L157 HydrophobicContact CD1-CG 4.46Å; L128-L157 PolarHBondContact N-O 3.32Å; A155-L157 VanDerWaalsContact C-N 3.32Å; L157-I159 HydrophobicContact CD1-CG1 4.37Å; L157-I159 HydrophobicContact CD2-CD1 4.07Å; L157-I159 HydrophobicContact CD2-CG1 4.25Å; L157-I159 HydrophobicContact CG-CD1 4.22Å; L157-I159 HydrophobicContact CG-CG1 3.93Å
158	S	87.3	Confident	82.2	Confident	74 Å²	74	53.3 Å²	53.3	52%	0.517	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	133.3	169	47.5	0	0	0	0	109.1
159	I	86.9	Confident	82.9	Confident	5 Å²	5	53.5 Å²	53.5	3%	0.026	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	113.9	-176	-60.5	169.6	0	0	0	107.4	T125 L126 L128 L157 V161 T183 F191	T125-I159 WeakPolarHBondContact CA-O 3.38Å; L126-I159 HydrophobicContact CB-CB 4.28Å; L126-I159 HydrophobicContact CD2-CD1 4.48Å; L126-I159 PolarHBondContact N-O 3.28Å; L126-I159 PolarHBondContact O-N 2.96Å; L128-I159 HydrophobicContact CD1-CD1 4.04Å; L157-I159 HydrophobicContact CD1-CG1 4.37Å; L157-I159 HydrophobicContact CD2-CD1 4.07Å; L157-I159 HydrophobicContact CD2-CG1 4.25Å; L157-I159 HydrophobicContact CG-CD1 4.22Å; L157-I159 HydrophobicContact CG-CG1 3.93Å; I159-V161 PolarHBondContact O-N 2.78Å; I159-T183 HydrophobicContact CG2-CG2 3.56Å; I159-F191 HydrophobicContact CD1-CE2 4.49Å; I159-F191 HydrophobicContact CD1-CZ 3.73Å
160	D	86	Confident	82.7	Confident	72 Å²	72	56.2 Å²	56.2	39%	0.385	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	123.5	173	-168.1	-17.2	0	0	0	109.4	R162	D160-R162 VanDerWaalsContact CG-NH1 3.28Å; D160-R162 VanDerWaalsContact OD1-CB 3.27Å; D160-R162 WeakPolarHBondContact OD1-CB 3.47Å; D160-R162 WeakPolarHBondContact OD1-CG 3.3Å; D160-R162 PolarHBondContact OD1-N 3.42Å; D160-R162 IonicContact OD1-NH1 3.34Å; D160-R162 PolarHBondContact OD1-NH1 3.36Å; D160-R162 IonicContact OD2-CZ 2.69Å; D160-R162 IonicContact OD2-NH1 2.75Å; D160-R162 PolarHBondContact OD2-NH1 2.78Å
161	V	85.9	Confident	81.6	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.313	C	S	.	.			trans	-102.1	-1.1	-179.3	-55.2	0	0	0	0	113.2	L121 H124 L126 I159 S163 C164 L206 C209 A210	L121-V161 HydrophobicContact CD1-CG1 4.25Å; L121-V161 HydrophobicContact CD1-CG2 3.83Å; H124-V161 VanDerWaalsContact C-CG2 3.4Å; H124-V161 HydrophobicContact CB-CG2 4.3Å; H124-V161 VanDerWaalsContact O-CG2 3.24Å; H124-V161 WeakPolarHBondContact O-CG2 3.43Å; H124-V161 PolarHBondContact O-N 3.49Å; L126-V161 HydrophobicContact CB-CG1 3.95Å; I159-V161 PolarHBondContact O-N 2.78Å; V161-S163 PolarHBondContact O-N 2.71Å; V161-C164 HydrophobicContact CB-CB 4.39Å; V161-C164 PolarHBondContact O-N 3.3Å; V161-C164 VanDerWaalsContact O-N 3.08Å; V161-C164 PolarHBondContact O-SG 3.27Å; V161-C164 VanDerWaalsContact O-SG 3.38Å; V161-L206 HydrophobicContact CB-CD2 4.42Å; V161-L206 HydrophobicContact CG1-CD2 3.65Å; V161-C209 HydrophobicContact CG2-CB 3.9Å; V161-A210 WeakPolarHBondContact O-CA 3.34Å; V161-A210 WeakPolarHBondContact O-CB 3.47Å
162	R	79.9	Confident	80.3	Confident	114 Å²	114	69 Å²	69	43%	0.43	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	123.7	168.5	-63.2	177.3	-168.6	99.6	-3.6	108.5	H124 D160 C164 V184	H124-R162 HydrophobicContact CB-CG 3.53Å; D160-R162 VanDerWaalsContact CG-NH1 3.28Å; D160-R162 VanDerWaalsContact OD1-CB 3.27Å; D160-R162 WeakPolarHBondContact OD1-CB 3.47Å; D160-R162 WeakPolarHBondContact OD1-CG 3.3Å; D160-R162 PolarHBondContact OD1-N 3.42Å; D160-R162 IonicContact OD1-NH1 3.34Å; D160-R162 PolarHBondContact OD1-NH1 3.36Å; D160-R162 IonicContact OD2-CZ 2.69Å; D160-R162 IonicContact OD2-NH1 2.75Å; D160-R162 PolarHBondContact OD2-NH1 2.78Å; R162-C164 PolarHBondContact O-N 2.8Å; R162-C164 VanDerWaalsContact O-N 3.09Å; R162-V184 WeakPolarHBondContact O-CG2 3.3Å
163	S	74.4	Confident	79.3	Confident	95 Å²	95	66.2 Å²	66.2	66%	0.664	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	24.3	-177.7	-51	0	0	0	0	115.6	V161	V161-S163 PolarHBondContact O-N 2.71Å
164	C	83	Confident	78.6	Confident	10 Å²	10	71.5 Å²	71.5	7%	0.068	37%	0.366	C	S	.	.			trans	-76.2	152.8	172.6	83.7	0	0	0	0	111.9	V161 R162 I182	V161-C164 HydrophobicContact CB-CB 4.39Å; V161-C164 PolarHBondContact O-N 3.3Å; V161-C164 VanDerWaalsContact O-N 3.08Å; V161-C164 PolarHBondContact O-SG 3.27Å; V161-C164 VanDerWaalsContact O-SG 3.38Å; R162-C164 PolarHBondContact O-N 2.8Å; R162-C164 VanDerWaalsContact O-N 3.09Å; C164-I182 WeakPolarHBondContact CA-O 3.3Å; C164-I182 WeakPolarHBondContact CB-O 3.34Å
165	I	84.9	Confident	78.3	Confident	68 Å²	68	70.9 Å²	70.9	35%	0.349	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	111.6	174.1	-58	176.7	0	0	0	108.2	C181 I182 M597	I165-C181 CarbonylContact O-C 3.38Å; I165-C181 WeakPolarHBondContact O-CA 3.48Å; I165-I182 HydrophobicContact CB-CB 4.43Å; I165-I182 PolarHBondContact N-O 3.47Å; I165-I182 PolarHBondContact O-N 3.25Å; I165-M597 HydrophobicContact CD1-CE 4.11Å
166	A	89.2	Confident	78.2	Confident	3 Å²	3	77.8 Å²	77.8	3%	0.025	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	120.7	174.3	0	0	0	0	0	110.9	R180 I203 L206 Q207	A166-R180 CarbonylContact C-O 3.6Å; A166-R180 VanDerWaalsContact CA-O 3.25Å; A166-R180 WeakPolarHBondContact CA-O 3.1Å; A166-I203 HydrophobicContact CB-CG2 4.44Å; A166-L206 HydrophobicContact CB-CB 4.03Å; A166-L206 HydrophobicContact CB-CD1 4.16Å; A166-Q207 HydrophobicContact CB-CG 4.39Å; A166-Q207 PolarHBondContact O-NE2 3.27Å
167	D	88	Confident	78.3	Confident	43 Å²	43	75.4 Å²	75.4	23%	0.23	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	170	-177.3	77.3	-30.4	0	0	0	113.5	F179 R180	D167-F179 CarbonylContact O-C 3.5Å; D167-F179 WeakPolarHBondContact O-CA 3.31Å; D167-F179 WeakPolarHBondContact O-CB 3.34Å; D167-R180 PolarHBondContact N-O 3.26Å; D167-R180 PolarHBondContact O-N 3.01Å; D167-R180 IonicContact OD1-CZ 3.91Å; D167-R180 IonicContact OD1-NE 3.94Å; D167-R180 PolarHBondContact OD1-NE 3.31Å; D167-R180 IonicContact OD1-NH2 2.77Å; D167-R180 PolarHBondContact OD1-NH2 3.33Å; D167-R180 IonicContact OD2-CZ 2.98Å; D167-R180 IonicContact OD2-NE 3.9Å; D167-R180 IonicContact OD2-NH2 3.01Å; D167-R180 PolarHBondContact OD2-NH2 3.36Å
168	I	88.6	Confident	78.5	Confident	54 Å²	54	73.5 Å²	73.5	28%	0.277	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	131.5	179	-64.3	175.1	0	0	0	109.6	Y170 M199 I203	I168-Y170 VanDerWaalsContact C-N 3.31Å; I168-Y170 HydrophobicContact CB-CD2 4.36Å; I168-Y170 HydrophobicContact CB-CE1 4.39Å; I168-Y170 HydrophobicContact CB-CE2 3.81Å; I168-Y170 HydrophobicContact CG2-CD1 4.22Å; I168-Y170 HydrophobicContact CG2-CD2 4.4Å; I168-Y170 HydrophobicContact CG2-CE1 3.95Å; I168-Y170 HydrophobicContact CG2-CE2 4.15Å; I168-Y170 HydrophobicContact CG2-CG 4.43Å; I168-Y170 WeakPolarHBondContact O-CD2 3.4Å; I168-Y170 PolarHBondContact O-N 3.17Å; I168-M199 HydrophobicContact CD1-CE 3.95Å; I168-M199 HydrophobicContact CG1-CE 4.04Å; I168-M199 HydrophobicContact CG1-SD 4.44Å; I168-I203 HydrophobicContact CG1-CD1 3.77Å
169	A	84.1	Confident	78.7	Confident	14 Å²	14	70 Å²	70	12%	0.116	34%	0.336	C	S	.	.			trans	-82.3	71.8	-177.6	0	0	0	0	0	111.8	N171 V178 R180 L190	A169-N171 PolarHBondContact O-N 3.43Å; A169-N171 VanDerWaalsContact O-N 3.08Å; A169-V178 HydrophobicContact CB-CB 4.25Å; A169-V178 HydrophobicContact CB-CG1 3.79Å; A169-V178 WeakPolarHBondContact CB-O 3.32Å; A169-V178 PolarHBondContact N-O 2.86Å; A169-R180 HydrophobicContact CB-CB 4.39Å; A169-L190 HydrophobicContact CB-CD2 4.19Å
170	Y	69.9	Low	78.8	Confident	184 Å²	184	72.4 Å²	72.4	72%	0.722	35%	0.345	S	S	*	.			trans	-57.7	-22.1	179.4	-62.7	-76.9	0	0	0	114.5	I168	I168-Y170 VanDerWaalsContact C-N 3.31Å; I168-Y170 HydrophobicContact CB-CD2 4.36Å; I168-Y170 HydrophobicContact CB-CE1 4.39Å; I168-Y170 HydrophobicContact CB-CE2 3.81Å; I168-Y170 HydrophobicContact CG2-CD1 4.22Å; I168-Y170 HydrophobicContact CG2-CD2 4.4Å; I168-Y170 HydrophobicContact CG2-CE1 3.95Å; I168-Y170 HydrophobicContact CG2-CE2 4.15Å; I168-Y170 HydrophobicContact CG2-CG 4.43Å; I168-Y170 WeakPolarHBondContact O-CD2 3.4Å; I168-Y170 PolarHBondContact O-N 3.17Å
171	N	52.3	Low	79	Confident	119 Å²	119	69 Å²	69	64%	0.636	33%	0.327	S	S	*	.	S	Bend	trans	-117.6	150.8	-170.8	-59.5	-19	0	0	0	111.2	A169 V173	A169-N171 PolarHBondContact O-N 3.43Å; A169-N171 VanDerWaalsContact O-N 3.08Å; N171-V173 PolarHBondContact O-N 2.88Å
172	Q	53.1	Low	79	Confident	168 Å²	168	71.4 Å²	71.4	79%	0.785	34%	0.339	S	S	*	.	S	Bend	trans	75.7	-5.1	168.5	-45.2	-174	30.8	0	0	119.8
173	V	58.9	Low	79.2	Confident	41 Å²	41	66.8 Å²	66.8	25%	0.248	32%	0.324	C	S	.	.			trans	-124.9	129.2	-175.1	-160.6	0	0	0	0	114	W114 N171 R175 V178 L190	W114-V173 HydrophobicContact CH2-CG1 4.44Å; W114-V173 HydrophobicContact CZ2-CG1 3.74Å; N171-V173 PolarHBondContact O-N 2.88Å; V173-R175 HydrophobicContact CG1-CB 3.85Å; V173-R175 HydrophobicContact CG1-CG 3.98Å; V173-R175 PolarHBondContact O-N 3.11Å; V173-V178 HydrophobicContact CB-CG2 4.47Å; V173-V178 HydrophobicContact CG1-CG2 4.11Å; V173-V178 HydrophobicContact CG2-CG1 4.27Å; V173-L190 HydrophobicContact CG2-CD1 4.21Å
174	K	65.2	Low	79	Confident	223 Å²	223	67.1 Å²	67.1	97%	0.97	32%	0.321	S	S	*	.	S	Bend	trans	-78.5	16.7	174.2	-68.3	-172.2	176.1	-177	0	114.2
175	R	74.6	Confident	78.6	Confident	66 Å²	66	75.5 Å²	75.5	25%	0.249	36%	0.357	C	S	.	.	S	Bend	trans	-118.1	148.7	-174.2	-58.1	-169.5	179.2	-163.1	-2	109.7	D111 V173 V178	D111-R175 IonicContact OD1-CZ 2.7Å; D111-R175 IonicContact OD1-NE 2.84Å; D111-R175 PolarHBondContact OD1-NE 3.17Å; D111-R175 IonicContact OD1-NH2 2.91Å; D111-R175 PolarHBondContact OD1-NH2 3.3Å; D111-R175 IonicContact OD2-CZ 2.76Å; D111-R175 IonicContact OD2-NE 3.15Å; D111-R175 IonicContact OD2-NH2 2.7Å; D111-R175 PolarHBondContact OD2-NH2 3.15Å; V173-R175 HydrophobicContact CG1-CB 3.85Å; V173-R175 HydrophobicContact CG1-CG 3.98Å; V173-R175 PolarHBondContact O-N 3.11Å; R175-V178 HydrophobicContact CB-CG2 3.83Å; R175-V178 WeakPolarHBondContact O-CG2 3.25Å
176	K	80.5	Confident	77.7	Confident	167 Å²	167	77.3 Å²	77.3	73%	0.726	36%	0.364	S	S	*	.	S	Bend	trans	-85.3	163.5	173.7	-64.5	-167.7	174.3	-164.2	0	111	V178 Q192	K176-V178 VanDerWaalsContact C-N 3.3Å; K176-V178 PolarHBondContact O-N 3.28Å; K176-Q192 WeakPolarHBondContact O-CG 3.37Å; K176-Q192 PolarHBondContact O-NE2 2.92Å
177	S	85.8	Confident	77.2	Confident	15 Å²	15	79.1 Å²	79.1	11%	0.105	38%	0.376	C	S	.	.	S	Bend	trans	59.4	39.8	173.9	-39.5	0	0	0	0	112.8	Q192 A193 D195 D196 M199	S177-Q192 WeakPolarHBondContact O-CA 3.41Å; S177-A193 PolarHBondContact O-N 3.4Å; S177-D195 VanDerWaalsContact OG-C 3.28Å; S177-D196 VanDerWaalsContact CA-OD1 3.28Å; S177-D196 WeakPolarHBondContact CA-OD1 3.25Å; S177-D196 VanDerWaalsContact CB-OD1 3.32Å; S177-D196 WeakPolarHBondContact CB-OD1 3.44Å; S177-D196 PolarHBondContact N-OD1 3.38Å; S177-D196 PolarHBondContact OG-N 3.2Å; S177-D196 PolarHBondContact OG-OD1 3.25Å; S177-M199 VanDerWaalsContact C-SD 3.53Å
178	V	89.6	Confident	77	Confident	8 Å²	8	79.4 Å²	79.4	5%	0.048	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	122.3	-179.8	-172.2	0	0	0	0	110.2	W114 A169 V173 R175 K176 F191 Q192	W114-V178 HydrophobicContact CH2-CG1 4.06Å; A169-V178 HydrophobicContact CB-CB 4.25Å; A169-V178 HydrophobicContact CB-CG1 3.79Å; A169-V178 WeakPolarHBondContact CB-O 3.32Å; A169-V178 PolarHBondContact N-O 2.86Å; V173-V178 HydrophobicContact CB-CG2 4.47Å; V173-V178 HydrophobicContact CG1-CG2 4.11Å; V173-V178 HydrophobicContact CG2-CG1 4.27Å; R175-V178 HydrophobicContact CB-CG2 3.83Å; R175-V178 WeakPolarHBondContact O-CG2 3.25Å; K176-V178 VanDerWaalsContact C-N 3.3Å; K176-V178 PolarHBondContact O-N 3.28Å; V178-F191 CarbonylContact C-O 3.48Å; V178-F191 VanDerWaalsContact CA-O 3.28Å; V178-F191 WeakPolarHBondContact CA-O 3.31Å; V178-F191 WeakPolarHBondContact CG1-O 3.33Å; V178-Q192 HydrophobicContact CG2-CB 4.3Å; V178-Q192 HydrophobicContact CG2-CG 4.06Å
179	F	91.4	Very high	77	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	168.1	168.7	70.2	-84.8	0	0	0	110.6	L97 D167 F191 A193 M199 W202 I203 L206	L97-F179 HydrophobicContact CD1-CZ 3.99Å; L97-F179 HydrophobicContact CD2-CE1 3.69Å; L97-F179 HydrophobicContact CD2-CZ 3.94Å; D167-F179 CarbonylContact O-C 3.5Å; D167-F179 WeakPolarHBondContact O-CA 3.31Å; D167-F179 WeakPolarHBondContact O-CB 3.34Å; F179-F191 HydrophobicContact CD1-CB 3.8Å; F179-F191 HydrophobicContact CD2-CB 4Å; F179-F191 HydrophobicContact CD2-CD2 4.19Å; F179-F191 HydrophobicContact CE1-CB 3.42Å; F179-F191 VanDerWaalsContact CE1-CB 3.42Å; F179-F191 HydrophobicContact CE1-CG 4.36Å; F179-F191 HydrophobicContact CE2-CB 3.61Å; F179-F191 AromaticContact CE2-CD2 3.6Å; F179-F191 HydrophobicContact CE2-CD2 3.6Å; F179-F191 AromaticContact CE2-CG 3.85Å; F179-F191 HydrophobicContact CE2-CG 3.85Å; F179-F191 HydrophobicContact CG-CB 4.1Å; F179-F191 HydrophobicContact CZ-CB 3.31Å; F179-F191 HydrophobicContact CZ-CD2 4.02Å; F179-F191 AromaticContact CZ-CG 3.78Å; F179-F191 HydrophobicContact CZ-CG 3.78Å; F179-F191 PolarHBondContact N-O 3.29Å; F179-F191 PolarHBondContact O-N 3.04Å; F179-F191 VanDerWaalsContact O-O 3.11Å; F179-A193 HydrophobicContact CE1-CB 4.44Å; F179-M199 HydrophobicContact CB-CG 3.95Å; F179-M199 HydrophobicContact CB-SD 4.45Å; F179-M199 HydrophobicContact CD1-CG 3.96Å; F179-M199 HydrophobicContact CG-CG 4.38Å; F179-W202 HydrophobicContact CE1-CB 3.77Å; F179-W202 HydrophobicContact CE1-CG 4.11Å; F179-W202 HydrophobicContact CE2-CB 4.31Å; F179-W202 HydrophobicContact CZ-CB 3.62Å; F179-W202 HydrophobicContact CZ-CG 4.01Å; F179-I203 HydrophobicContact CB-CD1 3.81Å; F179-I203 HydrophobicContact CB-CG1 3.88Å; F179-I203 HydrophobicContact CD2-CG1 4.26Å; F179-I203 HydrophobicContact CG-CG1 4.15Å; F179-L206 HydrophobicContact CD2-CD1 4.42Å; F179-L206 HydrophobicContact CE2-CD1 3.63Å; F179-L206 HydrophobicContact CZ-CD1 4.36Å
180	R	90.3	Very high	77.3	Confident	56 Å²	56	77.3 Å²	77.3	21%	0.211	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.9	178.2	165.6	173.4	60.9	-169.2	-1.5	108.9	A166 D167 A169 I182 E188 H189 L190	A166-R180 CarbonylContact C-O 3.6Å; A166-R180 VanDerWaalsContact CA-O 3.25Å; A166-R180 WeakPolarHBondContact CA-O 3.1Å; D167-R180 PolarHBondContact N-O 3.26Å; D167-R180 PolarHBondContact O-N 3.01Å; D167-R180 IonicContact OD1-CZ 3.91Å; D167-R180 IonicContact OD1-NE 3.94Å; D167-R180 PolarHBondContact OD1-NE 3.31Å; D167-R180 IonicContact OD1-NH2 2.77Å; D167-R180 PolarHBondContact OD1-NH2 3.33Å; D167-R180 IonicContact OD2-CZ 2.98Å; D167-R180 IonicContact OD2-NE 3.9Å; D167-R180 IonicContact OD2-NH2 3.01Å; D167-R180 PolarHBondContact OD2-NH2 3.36Å; A169-R180 HydrophobicContact CB-CB 4.39Å; R180-I182 HydrophobicContact CG-CG1 3.88Å; R180-E188 WeakPolarHBondContact CD-OE1 3.19Å; R180-E188 HydrophobicContact CG-CG 3.97Å; R180-E188 IonicContact CZ-OE1 2.79Å; R180-E188 IonicContact NE-OE1 3.76Å; R180-E188 IonicContact NH1-OE1 3.29Å; R180-E188 PolarHBondContact NH1-OE1 2.83Å; R180-H189 CarbonylContact C-O 3.41Å; R180-H189 WeakPolarHBondContact CA-O 3.35Å; R180-L190 HydrophobicContact CB-CD2 4.05Å; R180-L190 HydrophobicContact CG-CD2 4.45Å
181	C	89.3	Confident	78.4	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.1	163.5	-175.6	0	0	0	0	108.7	I165 H189 F191	I165-C181 CarbonylContact O-C 3.38Å; I165-C181 WeakPolarHBondContact O-CA 3.48Å; C181-H189 HydrophobicContact CB-CB 4.47Å; C181-H189 PolarHBondContact N-O 3.45Å; C181-H189 PolarHBondContact O-N 3.14Å; C181-F191 HydrophobicContact CB-CD2 4.26Å; C181-F191 HydrophobicContact CB-CE2 3.89Å
182	I	86.3	Confident	80.2	Confident	51 Å²	51	64.6 Å²	64.6	26%	0.262	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	116.4	171	-53	178.5	0	0	0	107.3	C164 I165 R180	C164-I182 WeakPolarHBondContact CA-O 3.3Å; C164-I182 WeakPolarHBondContact CB-O 3.34Å; I165-I182 HydrophobicContact CB-CB 4.43Å; I165-I182 PolarHBondContact N-O 3.47Å; I165-I182 PolarHBondContact O-N 3.25Å; R180-I182 HydrophobicContact CG-CG1 3.88Å
183	T	83	Confident	82	Confident	17 Å²	17	56.8 Å²	56.8	10%	0.104	27%	0.271	C	S	.	.			trans	-79	164	177.7	58.2	0	0	0	0	111.9	I159 K185 Q186 S187	I159-T183 HydrophobicContact CG2-CG2 3.56Å; T183-K185 PolarHBondContact O-N 3.33Å; T183-K185 VanDerWaalsContact O-N 3.12Å; T183-Q186 WeakPolarHBondContact O-CA 3.19Å; T183-Q186 PolarHBondContact O-N 3.27Å; T183-S187 PolarHBondContact N-O 3.19Å; T183-S187 VanDerWaalsContact N-O 3.07Å; T183-S187 WeakPolarHBondContact OG1-CB 3.32Å; T183-S187 PolarHBondContact OG1-N 2.92Å; T183-S187 VanDerWaalsContact OG1-N 3.1Å; T183-S187 PolarHBondContact OG1-O 3.03Å
184	V	72	Confident	83.4	Confident	102 Å²	102	59.9 Å²	59.9	62%	0.618	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-29.7	173.1	-171.3	0	0	0	0	112.4	R162 Q186	R162-V184 WeakPolarHBondContact O-CG2 3.3Å; V184-Q186 PolarHBondContact O-N 3.42Å
185	K	72.8	Confident	84.4	Confident	187 Å²	187	53 Å²	53	81%	0.813	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	14.2	175.9	-61.5	-178.2	-179.4	176.1	0	113.6	T183 S187	T183-K185 PolarHBondContact O-N 3.33Å; T183-K185 VanDerWaalsContact O-N 3.12Å; K185-S187 PolarHBondContact O-N 3.06Å
186	Q	67.9	Low	84.9	Confident	105 Å²	105	53.9 Å²	53.9	49%	0.491	27%	0.273	S	S	.	.			trans	51.3	19.3	-172.8	-62.9	-167.6	-34.8	0	0	115	T183 V184 E188 M249	T183-Q186 WeakPolarHBondContact O-CA 3.19Å; T183-Q186 PolarHBondContact O-N 3.27Å; V184-Q186 PolarHBondContact O-N 3.42Å; Q186-E188 PolarHBondContact O-N 3.37Å; Q186-M249 PolarHBondContact OE1-SD 2.71Å
187	S	76.7	Confident	85.1	Confident	42 Å²	42	54.1 Å²	54.1	29%	0.294	27%	0.274	S	S	.	.			trans	-75.6	116.3	169.5	-58.5	0	0	0	0	108.1	T183 K185 H189	T183-S187 PolarHBondContact N-O 3.19Å; T183-S187 VanDerWaalsContact N-O 3.07Å; T183-S187 WeakPolarHBondContact OG1-CB 3.32Å; T183-S187 PolarHBondContact OG1-N 2.92Å; T183-S187 VanDerWaalsContact OG1-N 3.1Å; T183-S187 PolarHBondContact OG1-O 3.03Å; K185-S187 PolarHBondContact O-N 3.06Å; S187-H189 PolarHBondContact O-CD2 3.49Å; S187-H189 VanDerWaalsContact O-CD2 3.3Å
188	E	84.8	Confident	85.2	Confident	49 Å²	49	54.8 Å²	54.8	23%	0.229	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	132.2	172.4	-175.1	174	-139.2	0	0	108.9	P102 R180 Q186	P102-E188 WeakPolarHBondContact CD-O 3.31Å; P102-E188 HydrophobicContact CG-CB 3.91Å; P102-E188 HydrophobicContact CG-CG 3.91Å; P102-E188 WeakPolarHBondContact CG-OE2 3.46Å; R180-E188 WeakPolarHBondContact CD-OE1 3.19Å; R180-E188 HydrophobicContact CG-CG 3.97Å; R180-E188 IonicContact CZ-OE1 2.79Å; R180-E188 IonicContact NE-OE1 3.76Å; R180-E188 IonicContact NH1-OE1 3.29Å; R180-E188 PolarHBondContact NH1-OE1 2.83Å; Q186-E188 PolarHBondContact O-N 3.37Å
189	H	88.4	Confident	85.3	Confident	10 Å²	10	55 Å²	55	5%	0.046	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	120.8	175.4	-63.2	-99.7	0	0	0	108.1	H99 R180 C181 S187 F191	H99-H189 AromaticContact NE2-ND1 3.86Å; R180-H189 CarbonylContact C-O 3.41Å; R180-H189 WeakPolarHBondContact CA-O 3.35Å; C181-H189 HydrophobicContact CB-CB 4.47Å; C181-H189 PolarHBondContact N-O 3.45Å; C181-H189 PolarHBondContact O-N 3.14Å; S187-H189 PolarHBondContact O-CD2 3.49Å; S187-H189 VanDerWaalsContact O-CD2 3.3Å; H189-F191 HydrophobicContact CB-CD2 4.26Å; H189-F191 HydrophobicContact CB-CE2 3.54Å; H189-F191 HydrophobicContact CB-CZ 3.98Å
190	L	90.4	Very high	85.2	Confident	13 Å²	13	58.9 Å²	58.9	7%	0.068	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	132.4	174.7	-62.5	174	0	0	0	109.3	H99 K100 W114 A169 V173 R180	H99-L190 CarbonylContact C-O 3.56Å; H99-L190 WeakPolarHBondContact CA-O 3.4Å; K100-L190 HydrophobicContact CB-CB 4.41Å; K100-L190 PolarHBondContact N-O 3.17Å; K100-L190 WeakPolarHBondContact O-CB 3.44Å; K100-L190 PolarHBondContact O-N 2.63Å; W114-L190 HydrophobicContact CH2-CB 3.88Å; W114-L190 HydrophobicContact CZ3-CB 4.31Å; A169-L190 HydrophobicContact CB-CD2 4.19Å; V173-L190 HydrophobicContact CG2-CD1 4.21Å; R180-L190 HydrophobicContact CB-CD2 4.05Å; R180-L190 HydrophobicContact CG-CD2 4.45Å
191	F	92.4	Very high	85.2	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	133.2	-178.1	-69.6	-74	0	0	0	110.4	L97 Y98 H99 L126 L128 I159 V178 F179 C181 H189	L97-F191 HydrophobicContact CB-CD1 4.16Å; L97-F191 HydrophobicContact CD1-CD1 3.8Å; L97-F191 HydrophobicContact CD1-CE1 4.21Å; L97-F191 HydrophobicContact CD1-CG 4.31Å; Y98-F191 CarbonylContact O-C 3.56Å; Y98-F191 WeakPolarHBondContact O-CA 3.5Å; H99-F191 HydrophobicContact CB-CD1 4.01Å; H99-F191 HydrophobicContact CB-CE1 3.82Å; H99-F191 AromaticContact CD2-CE1 3.61Å; H99-F191 AromaticContact CD2-CZ 3.82Å; H99-F191 AromaticContact CG-CE1 3.97Å; L126-F191 HydrophobicContact CD2-CE1 4.35Å; L126-F191 HydrophobicContact CD2-CE2 4.25Å; L126-F191 HydrophobicContact CD2-CZ 3.79Å; L128-F191 HydrophobicContact CD1-CE1 3.85Å; L128-F191 HydrophobicContact CD1-CZ 4.23Å; L128-F191 HydrophobicContact CD2-CE1 4.18Å; I159-F191 HydrophobicContact CD1-CE2 4.49Å; I159-F191 HydrophobicContact CD1-CZ 3.73Å; V178-F191 CarbonylContact C-O 3.48Å; V178-F191 VanDerWaalsContact CA-O 3.28Å; V178-F191 WeakPolarHBondContact CA-O 3.31Å; V178-F191 WeakPolarHBondContact CG1-O 3.33Å; F179-F191 HydrophobicContact CD1-CB 3.8Å; F179-F191 HydrophobicContact CD2-CB 4Å; F179-F191 HydrophobicContact CD2-CD2 4.19Å; F179-F191 HydrophobicContact CE1-CB 3.42Å; F179-F191 VanDerWaalsContact CE1-CB 3.42Å; F179-F191 HydrophobicContact CE1-CG 4.36Å; F179-F191 HydrophobicContact CE2-CB 3.61Å; F179-F191 AromaticContact CE2-CD2 3.6Å; F179-F191 HydrophobicContact CE2-CD2 3.6Å; F179-F191 AromaticContact CE2-CG 3.85Å; F179-F191 HydrophobicContact CE2-CG 3.85Å; F179-F191 HydrophobicContact CG-CB 4.1Å; F179-F191 HydrophobicContact CZ-CB 3.31Å; F179-F191 HydrophobicContact CZ-CD2 4.02Å; F179-F191 AromaticContact CZ-CG 3.78Å; F179-F191 HydrophobicContact CZ-CG 3.78Å; F179-F191 PolarHBondContact N-O 3.29Å; F179-F191 PolarHBondContact O-N 3.04Å; F179-F191 VanDerWaalsContact O-O 3.11Å; C181-F191 HydrophobicContact CB-CD2 4.26Å; C181-F191 HydrophobicContact CB-CE2 3.89Å; H189-F191 HydrophobicContact CB-CD2 4.26Å; H189-F191 HydrophobicContact CB-CE2 3.54Å; H189-F191 HydrophobicContact CB-CZ 3.98Å
192	Q	91.2	Very high	85.4	Confident	36 Å²	36	56.6 Å²	56.6	17%	0.168	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.9	170.4	-167.9	-172	0.2	0	0	109.5	Y98 W114 K176 S177 V178	Y98-Q192 HydrophobicContact CD2-CB 4.5Å; Y98-Q192 PolarHBondContact N-O 2.97Å; Y98-Q192 PolarHBondContact O-N 2.91Å; W114-Q192 HydrophobicContact CZ3-CB 4.04Å; K176-Q192 WeakPolarHBondContact O-CG 3.37Å; K176-Q192 PolarHBondContact O-NE2 2.92Å; S177-Q192 WeakPolarHBondContact O-CA 3.41Å; V178-Q192 HydrophobicContact CG2-CB 4.3Å; V178-Q192 HydrophobicContact CG2-CG 4.06Å
193	A	91.3	Very high	85.6	Confident	4 Å²	4	55 Å²	55	3%	0.033	28%	0.283	C	S	.	.			trans	-81.6	175.1	174.1	0	0	0	0	0	111.8	L97 S177 F179 D198 M199	L97-A193 HydrophobicContact CD2-CB 4.48Å; S177-A193 PolarHBondContact O-N 3.4Å; F179-A193 HydrophobicContact CE1-CB 4.44Å; A193-D198 HydrophobicContact CB-CB 4.18Å; A193-D198 WeakPolarHBondContact CB-OD2 3.43Å; A193-M199 HydrophobicContact CB-CB 3.8Å
194	V	87.3	Confident	85.9	Confident	106 Å²	106	60 Å²	60	64%	0.642	31%	0.305	S	S	*	.	S	Bend	trans	-70.5	-43.5	177.8	-179.2	0	0	0	0	111.6	I96 D198	I96-V194 HydrophobicContact CB-CG2 4.39Å; V194-D198 PolarHBondContact N-OD2 2.99Å
195	D	86.3	Confident	86.7	Confident	80 Å²	80	56 Å²	56	43%	0.428	28%	0.282	S	S	.	.	S	Bend	trans	-148.2	-179.6	175.5	68	32.9	0	0	0	111.5	S177 K197 D198 M199	S177-D195 VanDerWaalsContact OG-C 3.28Å; D195-K197 VanDerWaalsContact C-N 3.27Å; D195-K197 PolarHBondContact O-N 3.11Å; D195-K197 WeakPolarHBondContact OD1-CA 3.43Å; D195-K197 WeakPolarHBondContact OD1-CB 3.48Å; D195-K197 PolarHBondContact OD1-N 2.95Å; D195-D198 PolarHBondContact O-N 3.48Å; D195-D198 PolarHBondContact OD1-N 2.82Å; D195-M199 WeakPolarHBondContact O-CB 3.24Å; D195-M199 PolarHBondContact O-N 3.15Å
196	D	84.5	Confident	87.5	Confident	83 Å²	83	47 Å²	47	44%	0.444	24%	0.243	S	C	.	.	H	α-helix	trans	-71.1	-19.6	-176.5	-59.1	-38	0	0	0	113	S177 M199 I200	S177-D196 VanDerWaalsContact CA-OD1 3.28Å; S177-D196 WeakPolarHBondContact CA-OD1 3.25Å; S177-D196 VanDerWaalsContact CB-OD1 3.32Å; S177-D196 WeakPolarHBondContact CB-OD1 3.44Å; S177-D196 PolarHBondContact N-OD1 3.38Å; S177-D196 PolarHBondContact OG-N 3.2Å; S177-D196 PolarHBondContact OG-OD1 3.25Å; D196-M199 HydrophobicContact CB-CE 4.48Å; D196-I200 WeakPolarHBondContact O-CD1 3.27Å; D196-I200 VanDerWaalsContact O-CG1 3.26Å; D196-I200 WeakPolarHBondContact O-CG1 3.4Å; D196-I200 PolarHBondContact O-N 3.44Å
197	K	85.7	Confident	88.4	Confident	173 Å²	173	44.8 Å²	44.8	75%	0.752	23%	0.232	S	C	*	.	H	α-helix	trans	-80.4	-42.4	175.1	-177.8	-175.4	178	-175.8	0	111	D195 M199 I200 G201	D195-K197 VanDerWaalsContact C-N 3.27Å; D195-K197 PolarHBondContact O-N 3.11Å; D195-K197 WeakPolarHBondContact OD1-CA 3.43Å; D195-K197 WeakPolarHBondContact OD1-CB 3.48Å; D195-K197 PolarHBondContact OD1-N 2.95Å; K197-M199 VanDerWaalsContact C-N 3.33Å; K197-I200 PolarHBondContact O-N 3.11Å; K197-G201 PolarHBondContact O-N 2.94Å
198	D	88.5	Confident	88.7	Confident	28 Å²	28	46 Å²	46	15%	0.15	24%	0.241	C	C	.	.	H	α-helix	trans	-60.7	-43.7	170.4	-178.7	39.7	0	0	0	110.6	R93 A193 V194 D195 I200 G201 W202	R93-D198 IonicContact CZ-OD1 2.74Å; R93-D198 PolarHBondContact NH2-O 3.47Å; R93-D198 IonicContact NH2-OD1 3.24Å; R93-D198 PolarHBondContact NH2-OD1 3.16Å; A193-D198 HydrophobicContact CB-CB 4.18Å; A193-D198 WeakPolarHBondContact CB-OD2 3.43Å; V194-D198 PolarHBondContact N-OD2 2.99Å; D195-D198 PolarHBondContact O-N 3.48Å; D195-D198 PolarHBondContact OD1-N 2.82Å; D198-I200 PolarHBondContact O-N 3.3Å; D198-G201 PolarHBondContact O-N 3.31Å; D198-W202 PolarHBondContact O-N 3.09Å; D198-W202 PolarHBondContact OD1-NE1 3.35Å
199	M	91.8	Very high	88.6	Confident	13 Å²	13	43.9 Å²	43.9	6%	0.064	23%	0.232	C	C	.	.	H	α-helix	trans	-54.5	-50.9	173.7	-177.3	-174.9	67.9	0	0	112.5	I168 S177 F179 A193 D195 D196 K197 W202 I203	I168-M199 HydrophobicContact CD1-CE 3.95Å; I168-M199 HydrophobicContact CG1-CE 4.04Å; I168-M199 HydrophobicContact CG1-SD 4.44Å; S177-M199 VanDerWaalsContact C-SD 3.53Å; F179-M199 HydrophobicContact CB-CG 3.95Å; F179-M199 HydrophobicContact CB-SD 4.45Å; F179-M199 HydrophobicContact CD1-CG 3.96Å; F179-M199 HydrophobicContact CG-CG 4.38Å; A193-M199 HydrophobicContact CB-CB 3.8Å; D195-M199 WeakPolarHBondContact O-CB 3.24Å; D195-M199 PolarHBondContact O-N 3.15Å; D196-M199 HydrophobicContact CB-CE 4.48Å; K197-M199 VanDerWaalsContact C-N 3.33Å; M199-W202 PolarHBondContact O-N 3.35Å; M199-I203 HydrophobicContact CG-CD1 4.12Å; M199-I203 WeakPolarHBondContact O-CG1 3.35Å; M199-I203 PolarHBondContact O-N 3.18Å
200	I	89.3	Confident	88	Confident	82 Å²	82	44.5 Å²	44.5	42%	0.421	24%	0.238	S	C	.	.	H	α-helix	trans	-61	-46.8	178.8	-71.5	164.6	0	0	0	110.2	D196 K197 D198 W202 I203 E204	D196-I200 WeakPolarHBondContact O-CD1 3.27Å; D196-I200 VanDerWaalsContact O-CG1 3.26Å; D196-I200 WeakPolarHBondContact O-CG1 3.4Å; D196-I200 PolarHBondContact O-N 3.44Å; K197-I200 PolarHBondContact O-N 3.11Å; D198-I200 PolarHBondContact O-N 3.3Å; I200-W202 VanDerWaalsContact C-N 3.31Å; I200-W202 PolarHBondContact O-N 2.85Å; I200-I203 WeakPolarHBondContact O-CB 3.23Å; I200-I203 PolarHBondContact O-N 3.33Å; I200-I203 VanDerWaalsContact O-N 3.11Å; I200-E204 HydrophobicContact CG2-CG 4.24Å; I200-E204 WeakPolarHBondContact O-CG 3.32Å; I200-E204 PolarHBondContact O-N 2.91Å
201	G	89.5	Confident	86.7	Confident	8 Å²	8	47.6 Å²	47.6	8%	0.082	25%	0.251	C	S	.	.	H	α-helix	trans	-63.8	-31.2	178.7	0	0	0	0	0	114.4	R93 K197 D198 A205	R93-G201 PolarHBondContact NH1-O 3.42Å; K197-G201 PolarHBondContact O-N 2.94Å; D198-G201 PolarHBondContact O-N 3.31Å; G201-A205 VanDerWaalsContact O-CB 3.31Å; G201-A205 WeakPolarHBondContact O-CB 3.47Å; G201-A205 PolarHBondContact O-N 3.45Å
202	W	93.9	Very high	84.6	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-68	-44.2	170.8	-84.8	106.8	0	0	0	111.7	R93 L97 A119 L126 F179 D198 M199 I200 A205 L206	R93-W202 HydrophobicContact CB-CH2 4.4Å; R93-W202 HydrophobicContact CB-CZ3 4.22Å; R93-W202 HydrophobicContact CG-CD2 4.39Å; R93-W202 HydrophobicContact CG-CE3 4.24Å; R93-W202 HydrophobicContact CG-CH2 3.94Å; R93-W202 HydrophobicContact CG-CZ2 4.12Å; R93-W202 HydrophobicContact CG-CZ3 4Å; R93-W202 VanDerWaalsContact NE-CD2 3.31Å; L97-W202 HydrophobicContact CD1-CD2 3.99Å; L97-W202 HydrophobicContact CD1-CE3 4.11Å; L97-W202 HydrophobicContact CD1-CH2 4.3Å; L97-W202 HydrophobicContact CD1-CZ2 4.15Å; L97-W202 HydrophobicContact CD1-CZ3 4.28Å; L97-W202 HydrophobicContact CD2-CD2 4.2Å; L97-W202 HydrophobicContact CD2-CG 4.16Å; L97-W202 HydrophobicContact CG-CD2 4.35Å; L97-W202 HydrophobicContact CG-CZ2 4.11Å; A119-W202 HydrophobicContact CB-CH2 3.58Å; A119-W202 HydrophobicContact CB-CZ2 4.07Å; A119-W202 HydrophobicContact CB-CZ3 4.22Å; L126-W202 HydrophobicContact CD1-CE3 4.46Å; L126-W202 HydrophobicContact CD1-CH2 4.42Å; L126-W202 HydrophobicContact CD1-CZ3 3.69Å; F179-W202 HydrophobicContact CE1-CB 3.77Å; F179-W202 HydrophobicContact CE1-CG 4.11Å; F179-W202 HydrophobicContact CE2-CB 4.31Å; F179-W202 HydrophobicContact CZ-CB 3.62Å; F179-W202 HydrophobicContact CZ-CG 4.01Å; D198-W202 PolarHBondContact O-N 3.09Å; D198-W202 PolarHBondContact OD1-NE1 3.35Å; M199-W202 PolarHBondContact O-N 3.35Å; I200-W202 VanDerWaalsContact C-N 3.31Å; I200-W202 PolarHBondContact O-N 2.85Å; W202-A205 PolarHBondContact O-N 3.36Å; W202-L206 WeakPolarHBondContact O-CB 3.45Å; W202-L206 WeakPolarHBondContact O-CD1 3.42Å; W202-L206 WeakPolarHBondContact O-CG 3.25Å; W202-L206 PolarHBondContact O-N 2.84Å
203	I	90.7	Very high	82.1	Confident	18 Å²	18	51.3 Å²	51.3	9%	0.092	29%	0.292	C	S	.	.	H	α-helix	trans	-60.6	-46.2	175.3	-66.5	165.6	0	0	0	110.3	A166 I168 F179 M199 I200 L206 Q207	A166-I203 HydrophobicContact CB-CG2 4.44Å; I168-I203 HydrophobicContact CG1-CD1 3.77Å; F179-I203 HydrophobicContact CB-CD1 3.81Å; F179-I203 HydrophobicContact CB-CG1 3.88Å; F179-I203 HydrophobicContact CD2-CG1 4.26Å; F179-I203 HydrophobicContact CG-CG1 4.15Å; M199-I203 HydrophobicContact CG-CD1 4.12Å; M199-I203 WeakPolarHBondContact O-CG1 3.35Å; M199-I203 PolarHBondContact O-N 3.18Å; I200-I203 WeakPolarHBondContact O-CB 3.23Å; I200-I203 PolarHBondContact O-N 3.33Å; I200-I203 VanDerWaalsContact O-N 3.11Å; I203-L206 PolarHBondContact O-N 2.94Å; I203-Q207 HydrophobicContact CG2-CG 4.26Å; I203-Q207 VanDerWaalsContact CG2-NE2 3.33Å; I203-Q207 VanDerWaalsContact O-CB 3.26Å; I203-Q207 WeakPolarHBondContact O-CB 3.3Å; I203-Q207 VanDerWaalsContact O-CG 3.24Å; I203-Q207 WeakPolarHBondContact O-CG 3.26Å; I203-Q207 PolarHBondContact O-N 3.12Å
204	E	88.9	Confident	79.5	Confident	122 Å²	122	57.1 Å²	57.1	57%	0.57	32%	0.318	S	S	*	.	H	α-helix	trans	-60.2	-47.3	178	-73.1	172.6	159.6	0	0	112.3	I200 Q207 S208	I200-E204 HydrophobicContact CG2-CG 4.24Å; I200-E204 WeakPolarHBondContact O-CG 3.32Å; I200-E204 PolarHBondContact O-N 2.91Å; E204-Q207 CarbonylContact O-C 3.55Å; E204-Q207 PolarHBondContact O-N 3.48Å; E204-S208 WeakPolarHBondContact O-CB 3.17Å; E204-S208 PolarHBondContact O-N 3.37Å
205	A	89.2	Confident	76.8	Confident	16 Å²	16	59.2 Å²	59.2	13%	0.132	32%	0.321	C	S	.	.	H	α-helix	trans	-65	-44.9	179.7	0	0	0	0	0	112.3	R93 L121 G201 W202 S208 C209	R93-A205 HydrophobicContact CB-CB 4.03Å; R93-A205 HydrophobicContact CG-CB 4.5Å; L121-A205 HydrophobicContact CD2-CB 3.83Å; G201-A205 VanDerWaalsContact O-CB 3.31Å; G201-A205 WeakPolarHBondContact O-CB 3.47Å; G201-A205 PolarHBondContact O-N 3.45Å; W202-A205 PolarHBondContact O-N 3.36Å; A205-S208 WeakPolarHBondContact O-CB 3.49Å; A205-S208 PolarHBondContact O-N 3Å; A205-S208 VanDerWaalsContact O-N 3.11Å; A205-C209 PolarHBondContact O-N 3.42Å; A205-C209 PolarHBondContact O-SG 3.44Å; A205-C209 VanDerWaalsContact O-SG 3.35Å
206	L	90	Very high	74.1	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61.8	-46.8	175.5	-70.3	168.6	0	0	0	111.3	L121 L126 V161 A166 F179 W202 I203 S208 C209 A210	L121-L206 HydrophobicContact CD1-CD2 3.98Å; L121-L206 HydrophobicContact CD2-CD2 4.13Å; L121-L206 HydrophobicContact CD2-CG 4.48Å; L126-L206 HydrophobicContact CB-CD2 4.49Å; L126-L206 HydrophobicContact CD1-CD2 4.45Å; L126-L206 HydrophobicContact CD2-CD2 4.25Å; V161-L206 HydrophobicContact CB-CD2 4.42Å; V161-L206 HydrophobicContact CG1-CD2 3.65Å; A166-L206 HydrophobicContact CB-CB 4.03Å; A166-L206 HydrophobicContact CB-CD1 4.16Å; F179-L206 HydrophobicContact CD2-CD1 4.42Å; F179-L206 HydrophobicContact CE2-CD1 3.63Å; F179-L206 HydrophobicContact CZ-CD1 4.36Å; W202-L206 WeakPolarHBondContact O-CB 3.45Å; W202-L206 WeakPolarHBondContact O-CD1 3.42Å; W202-L206 WeakPolarHBondContact O-CG 3.25Å; W202-L206 PolarHBondContact O-N 2.84Å; I203-L206 PolarHBondContact O-N 2.94Å; L206-S208 PolarHBondContact O-N 3.28Å; L206-C209 PolarHBondContact O-N 2.9Å; L206-A210 VanDerWaalsContact O-CB 3.3Å; L206-A210 WeakPolarHBondContact O-CB 3.33Å; L206-A210 PolarHBondContact O-N 2.97Å
207	Q	86.6	Confident	71.2	Confident	57 Å²	57	66 Å²	66	27%	0.266	36%	0.361	S	S	.	.	H	α-helix	trans	-66.6	-20.1	174.8	-71.6	-174.9	15.2	0	0	112.8	A166 I203 E204 K211	A166-Q207 HydrophobicContact CB-CG 4.39Å; A166-Q207 PolarHBondContact O-NE2 3.27Å; I203-Q207 HydrophobicContact CG2-CG 4.26Å; I203-Q207 VanDerWaalsContact CG2-NE2 3.33Å; I203-Q207 VanDerWaalsContact O-CB 3.26Å; I203-Q207 WeakPolarHBondContact O-CB 3.3Å; I203-Q207 VanDerWaalsContact O-CG 3.24Å; I203-Q207 WeakPolarHBondContact O-CG 3.26Å; I203-Q207 PolarHBondContact O-N 3.12Å; E204-Q207 CarbonylContact O-C 3.55Å; E204-Q207 PolarHBondContact O-N 3.48Å; Q207-K211 WeakPolarHBondContact O-CD 3.43Å; Q207-K211 WeakPolarHBondContact O-CE 3.5Å; Q207-K211 VanDerWaalsContact O-CG 3.31Å; Q207-K211 WeakPolarHBondContact O-CG 3.44Å; Q207-K211 PolarHBondContact O-NZ 3.25Å
208	S	83.1	Confident	68.6	Low	68 Å²	68	62.7 Å²	62.7	48%	0.476	36%	0.358	S	S	.	.	H	α-helix	trans	-77	-53.5	173.6	-160.4	0	0	0	0	110.5	E204 A205 L206 A210 K211	E204-S208 WeakPolarHBondContact O-CB 3.17Å; E204-S208 PolarHBondContact O-N 3.37Å; A205-S208 WeakPolarHBondContact O-CB 3.49Å; A205-S208 PolarHBondContact O-N 3Å; A205-S208 VanDerWaalsContact O-N 3.11Å; L206-S208 PolarHBondContact O-N 3.28Å; S208-A210 PolarHBondContact O-N 3.05Å; S208-K211 WeakPolarHBondContact O-CB 3.11Å; S208-K211 PolarHBondContact O-N 3.11Å
209	C	81.3	Confident	65.7	Low	4 Å²	4	67.5 Å²	67.5	3%	0.027	39%	0.39	C	S	.	.	H	α-helix	trans	-61.8	-30.5	179.2	-60.7	0	0	0	0	112.6	Y92 L121 D123 H124 V161 A205 L206 K211 G212	Y92-C209 VanDerWaalsContact CG-SG 3.51Å; L121-C209 HydrophobicContact CD1-CB 4.3Å; L121-C209 HydrophobicContact CD2-CB 4.25Å; L121-C209 WeakPolarHBondContact CD2-SG 3.27Å; L121-C209 HydrophobicContact CG-CB 4.41Å; D123-C209 WeakPolarHBondContact O-CB 3.44Å; H124-C209 PolarHBondContact ND1-O 3.5Å; V161-C209 HydrophobicContact CG2-CB 3.9Å; A205-C209 PolarHBondContact O-N 3.42Å; A205-C209 PolarHBondContact O-SG 3.44Å; A205-C209 VanDerWaalsContact O-SG 3.35Å; L206-C209 PolarHBondContact O-N 2.9Å; C209-K211 PolarHBondContact O-N 3.44Å; C209-G212 PolarHBondContact O-N 2.97Å
210	A	76.3	Confident	62.7	Low	23 Å²	23	75.2 Å²	75.2	19%	0.19	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-18	173.4	0	0	0	0	0	114.5	V161 L206 S208	V161-A210 WeakPolarHBondContact O-CA 3.34Å; V161-A210 WeakPolarHBondContact O-CB 3.47Å; L206-A210 VanDerWaalsContact O-CB 3.3Å; L206-A210 WeakPolarHBondContact O-CB 3.33Å; L206-A210 PolarHBondContact O-N 2.97Å; S208-A210 PolarHBondContact O-N 3.05Å
211	K	63.7	Low	59.9	Low	79 Å²	79	75.6 Å²	75.6	34%	0.343	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-16.4	-179.2	-62.5	164.1	-172.8	125.2	0	113.9	Q207 S208 C209 A213	Q207-K211 WeakPolarHBondContact O-CD 3.43Å; Q207-K211 WeakPolarHBondContact O-CE 3.5Å; Q207-K211 VanDerWaalsContact O-CG 3.31Å; Q207-K211 WeakPolarHBondContact O-CG 3.44Å; Q207-K211 PolarHBondContact O-NZ 3.25Å; S208-K211 WeakPolarHBondContact O-CB 3.11Å; S208-K211 PolarHBondContact O-N 3.11Å; C209-K211 PolarHBondContact O-N 3.44Å; K211-A213 PolarHBondContact O-N 3.23Å
212	G	48.4	Very low	56.9	Low	39 Å²	39	86.5 Å²	86.5	40%	0.402	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-70.5	-10.6	-169.6	0	0	0	0	0	115.7	C209 E214	C209-G212 PolarHBondContact O-N 2.97Å; G212-E214 VanDerWaalsContact C-N 3.28Å; G212-E214 PolarHBondContact O-N 2.84Å
213	A	38.7	Very low	53.9	Low	74 Å²	74	94.5 Å²	94.5	61%	0.612	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-79.3	-4.5	-176.9	0	0	0	0	0	114.6	K211	K211-A213 PolarHBondContact O-N 3.23Å
214	E	36.5	Very low	50.7	Low	126 Å²	126	97.2 Å²	97.2	59%	0.589	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-113.2	5.5	-168.9	-150.7	178.8	152.8	0	0	113	G212	G212-E214 VanDerWaalsContact C-N 3.28Å; G212-E214 PolarHBondContact O-N 2.84Å
215	Q	29.9	Very low	48	Very low	150 Å²	150	99.4 Å²	99.4	70%	0.701	57%	0.57	S	S	*	*			trans	-140.8	69.6	-173.4	-65.1	-168.4	-4	0	0	113.9
216	V	29.2	Very low	44.8	Very low	139 Å²	139	104.8 Å²	104.8	84%	0.842	60%	0.596	S	S	*	*			trans	-133.4	73.8	162.5	-169.7	0	0	0	0	110.3
217	L	25.4	Very low	41.9	Very low	166 Å²	166	114 Å²	114	87%	0.869	64%	0.636	S	S	*	*			trans	-134	121.8	161.2	-93.6	167.9	0	0	0	107
218	P	30.3	Very low	39	Very low	105 Å²	105	118 Å²	118	68%	0.682	66%	0.659	S	S	*	*			trans	-70.7	146.2	-175.8	28.9	-34.3	0	0	0	111	L220	P218-L220 PolarHBondContact O-N 3.03Å; P218-L220 VanDerWaalsContact O-N 3.08Å
219	P	28.3	Very low	36.6	Very low	128 Å²	128	121.9 Å²	121.9	83%	0.831	68%	0.68	S	S	*	*			trans	-70.3	106.9	176.7	29	-33.2	0	0	0	109.9	A221	P219-A221 PolarHBondContact O-N 3.29Å
220	L	27.2	Very low	33.9	Very low	175 Å²	175	129.4 Å²	129.4	92%	0.916	72%	0.72	S	S	*	*			trans	-65.9	96.5	168.3	-79.5	171.8	0	0	0	109.3	P218	P218-L220 PolarHBondContact O-N 3.03Å; P218-L220 VanDerWaalsContact O-N 3.08Å
221	A	31.9	Very low	31.7	Very low	90 Å²	90	132 Å²	132	74%	0.744	75%	0.748	S	S	*	*			trans	-60.9	137.9	174.2	0	0	0	0	0	110.3	P219 N223	P219-A221 PolarHBondContact O-N 3.29Å; A221-N223 PolarHBondContact O-N 3.13Å; A221-N223 VanDerWaalsContact O-N 3.16Å
222	R	25.5	Very low	30	Very low	238 Å²	238	131.6 Å²	131.6	90%	0.898	77%	0.767	S	S	*	*			trans	-63.4	114.5	164.9	-73.5	174.9	170.8	170	-5.2	108.7
223	N	30.6	Very low	29	Very low	168 Å²	168	138.6 Å²	138.6	90%	0.898	80%	0.795	S	S	*	*			trans	-162	141.2	141	-90.1	-26.9	0	0	0	107.8	A221	A221-N223 PolarHBondContact O-N 3.13Å; A221-N223 VanDerWaalsContact O-N 3.16Å
224	G	25.1	Very low	28.5	Very low	75 Å²	75	138.8 Å²	138.8	77%	0.773	80%	0.803	S	S	*	*			trans	-100	118.8	-170.1	0	0	0	0	0	113.2
225	H	30.1	Very low	27.9	Very low	168 Å²	168	136.7 Å²	136.7	78%	0.778	82%	0.816	S	S	*	*			trans	-168.2	107.7	147.6	-108.6	-86.8	0	0	0	104.5
226	L	23.3	Very low	27.7	Very low	128 Å²	128	133.8 Å²	133.8	67%	0.67	82%	0.817	S	S	*	*				56	93.4	77.6	-173	74.4	0	0	0	112
227	F	29	Very low	27.5	Very low	195 Å²	195	136.1 Å²	136.1	86%	0.855	82%	0.819	S	S	*	*				-168.3	138.2	128.4	-94.4	-62.7	0	0	0	110
228	D	24.8	Very low	27.6	Very low	140 Å²	140	132.4 Å²	132.4	75%	0.749	81%	0.812	S	S	*	*			trans	-83.7	152	175.6	-65.7	-74.2	0	0	0	112.6
229	V	32.8	Very low	27.3	Very low	150 Å²	150	132.3 Å²	132.3	91%	0.909	81%	0.814	S	S	*	*			trans	-148.3	139.5	133.4	-174.6	0	0	0	0	108.6
230	D	25.5	Very low	27.3	Very low	161 Å²	161	132 Å²	132	86%	0.861	81%	0.809	S	S	*	*			trans	-90	163.5	-174.3	-109.1	-53.1	0	0	0	115.9
231	G	29.8	Very low	27.3	Very low	77 Å²	77	132.3 Å²	132.3	79%	0.794	80%	0.798	S	S	*	*			trans	97.3	146.1	156.3	0	0	0	0	0	118.2
232	G	28.1	Very low	27	Very low	72 Å²	72	136.4 Å²	136.4	74%	0.742	80%	0.795	S	S	*	*			cis	168.6	146.2	-10.8	0	0	0	0	0	115.3
233	L	27.4	Very low	27	Very low	186 Å²	186	135.5 Å²	135.5	97%	0.974	79%	0.791	S	S	*	*			trans	65.9	150.3	156.7	-64.9	163.7	0	0	0	121.2
234	G	27.6	Very low	26.8	Very low	77 Å²	77	133 Å²	133	79%	0.794	79%	0.786	S	S	*	*			trans	90.2	129.5	175.3	0	0	0	0	0	114.3
235	G	24.7	Very low	27.1	Very low	82 Å²	82	136.8 Å²	136.8	85%	0.845	79%	0.788	S	S	*	*			cis	90.1	126.7	9	0	0	0	0	0	112.1
236	A	25.8	Very low	27	Very low	89 Å²	89	136.5 Å²	136.5	74%	0.736	80%	0.797	S	S	*	*			cis	-161.8	178.5	-2.8	0	0	0	0	0	110.5
237	H	25.5	Very low	27.1	Very low	188 Å²	188	132.7 Å²	132.7	87%	0.87	79%	0.789	S	S	*	*			trans	67.4	155.6	164.3	-83.4	-149.2	0	0	0	117.4
238	A	25.8	Very low	27.1	Very low	89 Å²	89	131.3 Å²	131.3	74%	0.736	79%	0.789	S	S	*	*			cis	-149.1	158.2	-12.8	0	0	0	0	0	112.7
239	S	25	Very low	27.3	Very low	102 Å²	102	131.7 Å²	131.7	71%	0.713	79%	0.788	S	S	*	*			trans	-49.7	140.9	168.8	138.5	0	0	0	0	114.2
240	T	27.9	Very low	27.1	Very low	121 Å²	121	129.2 Å²	129.2	74%	0.742	78%	0.783	S	S	*	*			trans	-159.8	113.8	131.8	-86.8	0	0	0	0	112.8
241	R	26.2	Very low	27.1	Very low	182 Å²	182	127.8 Å²	127.8	69%	0.687	78%	0.776	S	S	*	*				35.3	142.8	127.5	-58.1	174.1	174.5	-174.6	0.5	119
242	R	25.9	Very low	27.2	Very low	177 Å²	177	136.5 Å²	136.5	67%	0.668	79%	0.785	S	S	*	*			cis	-168	142.3	7.2	-116	164.4	-170.5	-175.8	0.7	110.1
243	R	25.8	Very low	27.4	Very low	218 Å²	218	137.3 Å²	137.3	82%	0.823	78%	0.784	S	S	*	*			trans	38.5	163.4	131	-60.9	-178.7	-177.4	167.6	-0.8	121.8
244	C	26.4	Very low	27.6	Very low	117 Å²	117	137 Å²	137	79%	0.791	78%	0.783	S	S	*	*			trans	88.9	125.9	166.9	-58.9	0	0	0	0	115.6
245	L	32.3	Very low	27.8	Very low	154 Å²	154	143.3 Å²	143.3	81%	0.806	78%	0.783	S	S	*	*			cis	-134.2	128.5	-4.5	-84.8	117.9	0	0	0	111.3
246	V	27.6	Very low	28.3	Very low	161 Å²	161	144.7 Å²	144.7	98%	0.976	78%	0.777	S	S	*	*			trans	-93.9	108.8	150.9	173.3	0	0	0	0	106.1
247	G	25.8	Very low	28.6	Very low	49 Å²	49	148.9 Å²	148.9	51%	0.505	79%	0.786	S	S	.	*			trans	177.5	152.2	-179	0	0	0	0	0	112.7
248	I	28	Very low	28.9	Very low	165 Å²	165	144.7 Å²	144.7	85%	0.846	78%	0.784	S	S	*	*	S	Bend	trans	70	60.3	175.4	-36.1	173.2	0	0	0	115.5
249	M	28.5	Very low	29.1	Very low	148 Å²	148	147.1 Å²	147.1	73%	0.729	78%	0.78	S	S	*	*			trans	-134.1	7.3	142	-105.7	-158.5	179.9	0	0	114.7	Q186 N251	Q186-M249 PolarHBondContact OE1-SD 2.71Å; M249-N251 VanDerWaalsContact C-N 3.31Å; M249-N251 PolarHBondContact O-N 3.05Å
250	A	28.6	Very low	29.3	Very low	98 Å²	98	150 Å²	150	81%	0.81	79%	0.786	S	S	*	*	S	Bend	trans	-89.7	56.1	174.1	0	0	0	0	0	112.2
251	N	27.5	Very low	29.3	Very low	132 Å²	132	148.9 Å²	148.9	71%	0.706	78%	0.782	S	S	*	*			trans	-170.2	114.4	166.7	-115.7	-74.3	0	0	0	110.1	M249	M249-N251 VanDerWaalsContact C-N 3.31Å; M249-N251 PolarHBondContact O-N 3.05Å
252	W	30.5	Very low	29.3	Very low	259 Å²	259	148.5 Å²	148.5	98%	0.981	79%	0.792	S	S	*	*	S	Bend	trans	176.3	40.6	145.6	-109.7	68.2	0	0	0	113.2
253	A	32.7	Very low	29.5	Very low	89 Å²	89	151.7 Å²	151.7	74%	0.736	80%	0.804	S	S	*	*	S	Bend	trans	-159.5	143.8	161	0	0	0	0	0	110.1
254	L	31.1	Very low	29.6	Very low	179 Å²	179	144.2 Å²	144.2	94%	0.937	79%	0.794	S	S	*	*			trans	58.8	68.8	172.6	-57.4	177.7	0	0	0	116.8
255	R	32.4	Very low	29.6	Very low	211 Å²	211	144.4 Å²	144.4	80%	0.796	80%	0.796	S	S	*	*			trans	-107.6	159.6	138.8	-116.3	-171.8	169.8	-162.9	-2.6	107.5
256	P	34.9	Very low	29.3	Very low	111 Å²	111	142.9 Å²	142.9	72%	0.721	79%	0.789	S	S	*	*			cis	-128.9	155.8	-1.2	39.7	-24.8	0	0	0	115.4
257	L	31.4	Very low	29.3	Very low	176 Å²	176	145.6 Å²	145.6	92%	0.921	78%	0.781	S	S	*	*	S	Bend	trans	-164.1	165.9	139.9	-109	172.7	0	0	0	108.7
258	A	32	Very low	29.5	Very low	100 Å²	100	148.9 Å²	148.9	83%	0.826	80%	0.797	S	S	*	*			trans	59.3	97.8	-177.1	0	0	0	0	0	116.1
259	H	29.9	Very low	29.4	Very low	141 Å²	141	144.4 Å²	144.4	65%	0.653	79%	0.791	S	S	*	*			trans	-141.6	91.9	162.2	-178.8	-69.9	0	0	0	110
260	L	30.2	Very low	29.4	Very low	163 Å²	163	142.5 Å²	142.5	85%	0.853	80%	0.799	S	S	*	*			trans	-166.4	95.9	155.2	-126	63.6	0	0	0	105.3
261	C	28.7	Very low	29.3	Very low	97 Å²	97	142 Å²	142	66%	0.655	79%	0.79	S	S	*	*				78	93	82.7	-70.7	0	0	0	0	112.9	R263	C261-R263 PolarHBondContact O-N 3.01Å
262	I	26.2	Very low	29.2	Very low	174 Å²	174	144.3 Å²	144.3	89%	0.892	79%	0.794	S	S	*	*			trans	-75.9	106	159.8	-63.5	174.5	0	0	0	108.3
263	R	30	Very low	29.1	Very low	244 Å²	244	137.3 Å²	137.3	92%	0.921	78%	0.775	S	S	*	*			trans	-139.3	126	148.2	-81.3	-179.9	166.9	166.1	-6.6	104.3	C261	C261-R263 PolarHBondContact O-N 3.01Å
264	G	27.4	Very low	29	Very low	60 Å²	60	140.9 Å²	140.9	62%	0.619	78%	0.777	S	S	*	*			cis	133.4	130.8	7.9	0	0	0	0	0	107.4
265	C	26.5	Very low	28.7	Very low	122 Å²	122	140.7 Å²	140.7	82%	0.824	77%	0.773	S	S	*	*			trans	64.6	153.9	-164.7	-63.7	0	0	0	0	113.2
266	D	26.4	Very low	28.6	Very low	122 Å²	122	135.9 Å²	135.9	65%	0.652	77%	0.769	S	S	*	*			cis	-160.7	153.5	-26.2	-123.6	-64.9	0	0	0	110
267	R	26.9	Very low	28.2	Very low	218 Å²	218	140 Å²	140	82%	0.823	78%	0.776	S	S	*	*			trans	59.1	161.6	158.9	-62.4	172	-173.6	-151.2	-3.3	119.6
268	S	28.8	Very low	28.2	Very low	118 Å²	118	139.3 Å²	139.3	83%	0.825	77%	0.773	S	S	*	*			trans	31.6	122.3	156.1	53.3	0	0	0	0	119.3
269	G	26.9	Very low	28	Very low	71 Å²	71	142 Å²	142	73%	0.732	77%	0.769	S	S	*	*			cis	125.3	157.9	13.2	0	0	0	0	0	110.6
270	A	27.7	Very low	28	Very low	108 Å²	108	145.1 Å²	145.1	89%	0.893	78%	0.775	S	S	*	*			trans	63.6	157.9	-174.7	0	0	0	0	0	115.3
271	S	26.6	Very low	28.1	Very low	88 Å²	88	145.9 Å²	145.9	62%	0.615	77%	0.774	S	S	*	*			cis	-170.3	128.6	-29.1	178.3	0	0	0	0	109.5
272	F	25.6	Very low	28.2	Very low	180 Å²	180	146.3 Å²	146.3	79%	0.789	77%	0.77	S	S	*	*			trans	65	155.1	160.1	-71.9	-150.6	0	0	0	114.7
273	N	28.4	Very low	28.4	Very low	112 Å²	112	142.3 Å²	142.3	60%	0.599	75%	0.753	S	S	*	*			cis	-156.2	-176.6	-13.2	-113.7	15.7	0	0	0	107.5
274	E	30.3	Very low	28.4	Very low	163 Å²	163	136.4 Å²	136.4	76%	0.762	74%	0.739	S	S	*	*			cis	-142	-91.6	9.6	-157.6	143.9	-79.6	0	0	113.7
275	M	26.4	Very low	28.5	Very low	175 Å²	175	136 Å²	136	86%	0.862	73%	0.73	S	S	*	*			trans	-160	169.7	-159	-79.5	-164.5	170.4	0	0	111
276	P	28.6	Very low	28.6	Very low	111 Å²	111	133.3 Å²	133.3	72%	0.721	71%	0.707	S	S	*	*			cis	-125.2	131.3	1.9	34.5	-18	0	0	0	114.7
277	F	26.5	Very low	28.8	Very low	197 Å²	197	133 Å²	133	86%	0.864	71%	0.71	S	S	*	*			trans	-147.8	108.1	156.7	-116.6	-84.5	0	0	0	109.2	Q279	F277-Q279 PolarHBondContact O-N 3.15Å
278	N	32.1	Very low	28.8	Very low	161 Å²	161	127.3 Å²	127.3	86%	0.861	70%	0.703	S	S	*	*			trans	-84	61.2	-165.1	-148.4	-8.1	0	0	0	113.3	R280	N278-R280 VanDerWaalsContact C-N 3.28Å; N278-R280 PolarHBondContact O-N 2.98Å
279	Q	28.1	Very low	28.7	Very low	158 Å²	158	126.9 Å²	126.9	74%	0.738	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	74.4	176.1	-73.5	-169	-28.1	0	0	112.1	F277	F277-Q279 PolarHBondContact O-N 3.15Å
280	R	29.3	Very low	28.6	Very low	206 Å²	206	131.7 Å²	131.7	78%	0.777	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.8	-19.9	163.1	-114.4	167	-171	172	2.5	116.9	N278	N278-R280 VanDerWaalsContact C-N 3.28Å; N278-R280 PolarHBondContact O-N 2.98Å
281	Q	32.3	Very low	28.6	Very low	179 Å²	179	131.6 Å²	131.6	84%	0.836	68%	0.682	S	S	*	*	H	α-helix	trans	-85.4	-11.8	172.1	-71.4	-177.7	-11.7	0	0	114.2	A285	Q281-A285 VanDerWaalsContact O-CB 3.29Å; Q281-A285 WeakPolarHBondContact O-CB 3.22Å
282	L	30.6	Very low	28.6	Very low	106 Å²	106	133.5 Å²	133.5	56%	0.555	68%	0.679	S	S	*	*	H	α-helix	trans	-83.6	-14.5	176.2	-152	77.1	0	0	0	113.4	I286	L282-I286 HydrophobicContact CD2-CD1 3.89Å; L282-I286 HydrophobicContact CG-CD1 3.78Å; L282-I286 HydrophobicContact CG-CG1 4.24Å; L282-I286 VanDerWaalsContact O-CB 3.25Å; L282-I286 WeakPolarHBondContact O-CB 3.46Å; L282-I286 WeakPolarHBondContact O-CD1 3.31Å; L282-I286 WeakPolarHBondContact O-CG1 3.35Å; L282-I286 PolarHBondContact O-N 3.38Å
283	V	30.6	Very low	28.6	Very low	89 Å²	89	129 Å²	129	54%	0.539	66%	0.658	S	S	.	*	H	α-helix	trans	-79.4	-49.9	-176.9	178	0	0	0	0	110.5	I286 V287	V283-I286 PolarHBondContact O-N 2.84Å; V283-V287 WeakPolarHBondContact O-CG2 3.41Å; V283-V287 PolarHBondContact O-N 3.45Å
284	D	29.9	Very low	28.3	Very low	120 Å²	120	129.1 Å²	129.1	64%	0.642	67%	0.666	S	S	*	*	H	α-helix	trans	-75.1	-27.8	176.7	-64.5	-58	0	0	0	113.3	I286 V287 S288	D284-I286 VanDerWaalsContact C-N 3.33Å; D284-I286 PolarHBondContact O-N 2.9Å; D284-V287 PolarHBondContact O-N 3.32Å; D284-S288 PolarHBondContact O-N 2.76Å; D284-S288 VanDerWaalsContact O-N 3.08Å
285	A	29.8	Very low	28.2	Very low	52 Å²	52	127.6 Å²	127.6	43%	0.43	66%	0.663	S	S	.	*	H	α-helix	trans	-66.1	-32.6	169.8	0	0	0	0	0	112.9	Q281 T289	Q281-A285 VanDerWaalsContact O-CB 3.29Å; Q281-A285 WeakPolarHBondContact O-CB 3.22Å; A285-T289 PolarHBondContact O-N 3.1Å
286	I	29.1	Very low	28.2	Very low	66 Å²	66	128.5 Å²	128.5	34%	0.338	66%	0.658	S	S	.	*	H	α-helix	trans	-80.5	-26.7	175.1	-72.2	179.2	0	0	0	112	L282 V283 D284 S288 R290	L282-I286 HydrophobicContact CD2-CD1 3.89Å; L282-I286 HydrophobicContact CG-CD1 3.78Å; L282-I286 HydrophobicContact CG-CG1 4.24Å; L282-I286 VanDerWaalsContact O-CB 3.25Å; L282-I286 WeakPolarHBondContact O-CB 3.46Å; L282-I286 WeakPolarHBondContact O-CD1 3.31Å; L282-I286 WeakPolarHBondContact O-CG1 3.35Å; L282-I286 PolarHBondContact O-N 3.38Å; V283-I286 PolarHBondContact O-N 2.84Å; D284-I286 VanDerWaalsContact C-N 3.33Å; D284-I286 PolarHBondContact O-N 2.9Å; I286-S288 VanDerWaalsContact C-N 3.3Å; I286-R290 HydrophobicContact CG2-CB 4.07Å; I286-R290 PolarHBondContact O-N 3.4Å
287	V	30.3	Very low	28.1	Very low	116 Å²	116	131.2 Å²	131.2	70%	0.703	66%	0.663	S	S	*	*	H	α-helix	trans	-70.7	-24.9	170.7	168.9	0	0	0	0	112.1	V283 D284	V283-V287 WeakPolarHBondContact O-CG2 3.41Å; V283-V287 PolarHBondContact O-N 3.45Å; D284-V287 PolarHBondContact O-N 3.32Å
288	S	27.4	Very low	28	Very low	97 Å²	97	130.8 Å²	130.8	68%	0.678	66%	0.661	S	S	*	*	H	α-helix	trans	-83.2	-39.6	174.6	-176.7	0	0	0	0	114.3	D284 I286	D284-S288 PolarHBondContact O-N 2.76Å; D284-S288 VanDerWaalsContact O-N 3.08Å; I286-S288 VanDerWaalsContact C-N 3.3Å
289	T	26.1	Very low	27.8	Very low	109 Å²	109	130.5 Å²	130.5	67%	0.669	65%	0.652	S	S	*	*	S	Bend	trans	-143.8	66.9	-175.3	49.2	0	0	0	0	115.9	A285	A285-T289 PolarHBondContact O-N 3.1Å
290	R	24.7	Very low	27.7	Very low	173 Å²	173	129 Å²	129	65%	0.653	65%	0.654	S	S	*	*			trans	-168.3	168.1	164.7	-100.3	135.7	-168.6	-150.1	6.2	112	I286	I286-R290 HydrophobicContact CG2-CB 4.07Å; I286-R290 PolarHBondContact O-N 3.4Å
291	P	28.7	Very low	27.6	Very low	106 Å²	106	122.8 Å²	122.8	69%	0.688	64%	0.639	S	S	*	*			cis	-120.5	131.4	-17.8	33.8	-18.5	0	0	0	112.5	Y293	P291-Y293 PolarHBondContact O-N 2.94Å
292	F	26.8	Very low	27.2	Very low	127 Å²	127	118.1 Å²	118.1	56%	0.557	62%	0.622	S	S	*	*	S	Bend	trans	-57.2	132.7	152.2	-101	-130.4	0	0	0	108.1
293	Y	24.2	Very low	27	Very low	86 Å²	86	115.6 Å²	115.6	34%	0.337	61%	0.609	S	S	.	*	S	Bend	trans	87.8	60	171.8	-70.5	-87.3	0	0	0	121.9	P291 V633 T634 M636 S637	P291-Y293 PolarHBondContact O-N 2.94Å; Y293-V633 HydrophobicContact CD1-CG1 3.44Å; Y293-V633 VanDerWaalsContact CD1-CG1 3.44Å; Y293-V633 WeakPolarHBondContact CD1-O 3.14Å; Y293-V633 HydrophobicContact CE1-CG1 4.07Å; Y293-V633 WeakPolarHBondContact CE1-O 3.37Å; Y293-V633 HydrophobicContact CG-CG1 4.06Å; Y293-V633 PolarHBondContact OH-O 3Å; Y293-T634 HydrophobicContact CD2-CG2 4.12Å; Y293-T634 VanDerWaalsContact CE2-CA 3.45Å; Y293-T634 WeakPolarHBondContact CE2-O 3.23Å; Y293-T634 HydrophobicContact CG-CG2 4.2Å; Y293-M636 VanDerWaalsContact OH-CA 3.23Å; Y293-M636 WeakPolarHBondContact OH-CA 3.25Å; Y293-M636 PolarHBondContact OH-N 2.89Å; Y293-S637 PolarHBondContact OH-N 3.15Å; Y293-S637 PolarHBondContact OH-OG 3Å
294	C	23.6	Very low	26.9	Very low	114 Å²	114	113.8 Å²	113.8	77%	0.77	60%	0.596	S	S	*	*				-158.3	100.8	128.1	-164.6	0	0	0	0	111.6
295	N	27.2	Very low	26.7	Very low	132 Å²	132	111.9 Å²	111.9	71%	0.706	59%	0.589	S	S	*	*			trans	-161.7	7.8	176.6	-115	-63	0	0	0	118.3	M297	N295-M297 PolarHBondContact O-N 2.82Å
296	Y	27.4	Very low	26.6	Very low	194 Å²	194	113.3 Å²	113.3	76%	0.761	58%	0.584	S	S	*	*	S	Bend	trans	-80.9	2.7	179.2	-135.4	-89.9	0	0	0	114.4
297	M	25.5	Very low	26.5	Very low	167 Å²	167	113.2 Å²	113.2	82%	0.823	60%	0.599	S	S	*	*	S	Bend	trans	-141.9	152	170.1	-77.4	-109.9	-167.4	0	0	108.2	N295	N295-M297 PolarHBondContact O-N 2.82Å
298	K	25.4	Very low	26.4	Very low	189 Å²	189	111.9 Å²	111.9	82%	0.822	59%	0.594	S	S	*	*			trans	76.7	62.6	178.8	-52.7	-178.1	179.8	178.9	0	117.9
299	K	27.3	Very low	26.3	Very low	155 Å²	155	114.9 Å²	114.9	67%	0.674	59%	0.591	S	S	*	*			trans	-117.3	88.1	132.7	-84.8	-165.5	179.3	-178.3	0	109.7	T301 Y808	K299-T301 PolarHBondContact O-N 2.8Å; K299-Y808 PolarHBondContact NZ-OH 2.83Å
300	T	24.8	Very low	26.4	Very low	126 Å²	126	116.4 Å²	116.4	77%	0.773	60%	0.6	S	S	*	*			trans	-80.8	102	175.2	-54.5	0	0	0	0	109
301	T	27.2	Very low	26.4	Very low	76 Å²	76	112.5 Å²	112.5	47%	0.466	60%	0.599	S	S	.	*			trans	-157.6	114	178.2	-73	0	0	0	0	106.7	K299 I815	K299-T301 PolarHBondContact O-N 2.8Å; T301-I815 HydrophobicContact CG2-CD1 3.29Å; T301-I815 HydrophobicContact CG2-CG1 4.12Å
302	V	25.5	Very low	26.3	Very low	80 Å²	80	113.7 Å²	113.7	49%	0.485	61%	0.607	S	S	.	*			cis	81.8	87.2	47.4	-174.4	0	0	0	0	112.2
303	L	26	Very low	26.3	Very low	53 Å²	53	111 Å²	111	28%	0.277	61%	0.608	S	S	.	*			trans	87	147.7	144.1	-57.2	175.4	0	0	0	122.4	R811 V848 L849	L303-R811 PolarHBondContact O-NH1 2.92Å; L303-V848 HydrophobicContact CD2-CG1 4.48Å; L303-V848 WeakPolarHBondContact CD2-O 3.42Å; L303-L849 HydrophobicContact CB-CD2 4.1Å; L303-L849 HydrophobicContact CD1-CD2 3.92Å; L303-L849 HydrophobicContact CD2-CD2 4.4Å; L303-L849 HydrophobicContact CG-CD2 4.35Å
304	L	28.3	Very low	26.3	Very low	52 Å²	52	112.5 Å²	112.5	27%	0.272	63%	0.629	S	S	.	*			trans	54	126.8	172.6	-59.6	176.9	0	0	0	117.8	R811 S845 L849	L304-R811 PolarHBondContact O-NH2 2.82Å; L304-S845 VanDerWaalsContact CD2-O 3.28Å; L304-S845 WeakPolarHBondContact CD2-O 3.32Å; L304-L849 HydrophobicContact CD1-CD2 3.84Å; L304-L849 HydrophobicContact CD2-CD1 4.33Å; L304-L849 HydrophobicContact CD2-CD2 3.5Å; L304-L849 VanDerWaalsContact CD2-CD2 3.5Å; L304-L849 HydrophobicContact CD2-CG 3.78Å; L304-L849 HydrophobicContact CG-CD2 3.5Å; L304-L849 VanDerWaalsContact CG-CD2 3.5Å; L304-L849 HydrophobicContact CG-CG 4.33Å
305	V	25.8	Very low	26.4	Very low	79 Å²	79	112.4 Å²	112.4	48%	0.479	63%	0.628	S	S	.	*			cis	66.5	87.1	9.7	-155.4	0	0	0	0	117.9	S845 V848	V305-S845 WeakPolarHBondContact O-CB 3.5Å; V305-V848 HydrophobicContact CB-CB 4.42Å; V305-V848 HydrophobicContact CB-CG1 4.11Å; V305-V848 HydrophobicContact CB-CG2 4.15Å; V305-V848 HydrophobicContact CG1-CG2 4.09Å; V305-V848 HydrophobicContact CG2-CG1 3.89Å; V305-V848 HydrophobicContact CG2-CG2 4.41Å
306	Y	27.3	Very low	26.2	Very low	83 Å²	83	115.5 Å²	115.5	33%	0.325	64%	0.638	S	S	.	*				-155.3	155.4	127.4	-88	-83.6	0	0	0	103.6	I840 N842 S845 L846	Y306-I840 HydrophobicContact CD2-CG1 4.3Å; Y306-I840 HydrophobicContact CD2-CG2 4.37Å; Y306-I840 HydrophobicContact CE2-CG1 4.28Å; Y306-I840 HydrophobicContact CE2-CG2 3.54Å; Y306-N842 HydrophobicContact CE1-CB 4.03Å; Y306-N842 WeakPolarHBondContact CE1-O 3.48Å; Y306-N842 PolarHBondContact OH-O 3.48Å; Y306-S845 VanDerWaalsContact CE2-CB 3.48Å; Y306-S845 VanDerWaalsContact CZ-CB 3.47Å; Y306-S845 PolarHBondContact OH-N 3.49Å; Y306-L846 PolarHBondContact OH-N 3.41Å
307	G	27.7	Very low	26	Very low	64 Å²	64	110.7 Å²	110.7	66%	0.66	63%	0.633	S	S	*	*			cis	166.5	117.9	-7.9	0	0	0	0	0	109.4
308	C	27.9	Very low	26	Very low	88 Å²	88	110.6 Å²	110.6	60%	0.595	64%	0.635	S	S	*	*			trans	-171.4	118.1	167.7	-105.5	0	0	0	0	106.4	R748	C308-R748 PolarHBondContact SG-NH1 3.32Å
309	Y	25.8	Very low	26	Very low	159 Å²	159	110.1 Å²	110.1	62%	0.624	63%	0.633	S	S	*	*			cis	57.5	83.3	37.1	-83.1	-82.6	0	0	0	113.8
310	V	28.6	Very low	25.9	Very low	141 Å²	141	112.8 Å²	112.8	86%	0.855	65%	0.645	S	S	*	*			trans	-133.9	120.7	137.3	178.8	0	0	0	0	106.7
311	S	24.6	Very low	26	Very low	91 Å²	91	114.3 Å²	114.3	64%	0.636	64%	0.643	S	S	*	*			trans	-86	146.6	170.4	-172.6	0	0	0	0	109.3	A313	S311-A313 PolarHBondContact O-N 3.29Å
312	P	25.6	Very low	25.9	Very low	131 Å²	131	117.6 Å²	117.6	85%	0.851	66%	0.663	S	S	*	*			trans	-73.6	74	172.1	32.5	-35.7	0	0	0	110.8
313	A	26.8	Very low	26.1	Very low	70 Å²	70	119.9 Å²	119.9	58%	0.579	68%	0.677	S	S	*	*			trans	-94.8	124.3	169.2	0	0	0	0	0	109.3	S311	S311-A313 PolarHBondContact O-N 3.29Å
314	P	24.9	Very low	26.2	Very low	119 Å²	119	120.8 Å²	120.8	77%	0.773	69%	0.688	S	S	*	*			trans	-70.8	136.8	173.7	30.1	-33.2	0	0	0	109.8
315	C	24.4	Very low	26.3	Very low	112 Å²	112	123.8 Å²	123.8	76%	0.757	71%	0.711	S	S	*	*			trans	-128.2	82.2	171.1	-83.1	0	0	0	0	109.4	S317	C315-S317 VanDerWaalsContact C-N 3.33Å; C315-S317 PolarHBondContact O-N 3.25Å
316	E	23.9	Very low	26.7	Very low	196 Å²	196	124.2 Å²	124.2	92%	0.916	72%	0.717	S	S	*	*			trans	-66.9	90.8	163.1	-68.6	-175.1	109.1	0	0	110
317	S	23.9	Very low	27.2	Very low	93 Å²	93	123 Å²	123	65%	0.65	72%	0.721	S	S	*	*			trans	-158.8	153.8	160.3	51.6	0	0	0	0	109.2	C315	C315-S317 VanDerWaalsContact C-N 3.33Å; C315-S317 PolarHBondContact O-N 3.25Å
318	L	24.4	Very low	27.5	Very low	165 Å²	165	125.5 Å²	125.5	86%	0.864	72%	0.718	S	S	*	*	S	Bend	trans	62.3	52	178.9	-56.9	168.3	0	0	0	115.6
319	F	25.6	Very low	27.9	Very low	180 Å²	180	123.7 Å²	123.7	79%	0.789	71%	0.71	S	S	*	*				-168	86.3	116	-110.9	-74.9	0	0	0	110.7	E321	F319-E321 PolarHBondContact O-N 3.15Å
320	K	24.7	Very low	28.5	Very low	211 Å²	211	122.1 Å²	122.1	92%	0.917	71%	0.711	S	S	*	*			trans	-93.2	71.6	167.4	-79	-170	176.5	-178.5	0	109.7
321	E	27.2	Very low	29	Very low	157 Å²	157	120.4 Å²	120.4	73%	0.734	70%	0.697	S	S	*	*			trans	-116.3	117.1	159.6	-74.2	-164.6	131.3	0	0	109.8	F319 V323	F319-E321 PolarHBondContact O-N 3.15Å; E321-V323 PolarHBondContact O-N 2.98Å
322	T	25.6	Very low	29.9	Very low	146 Å²	146	120.6 Å²	120.6	90%	0.896	69%	0.689	S	S	*	*			trans	-49.8	113.1	-169.7	44	0	0	0	0	115.6
323	V	29.7	Very low	30.5	Very low	128 Å²	128	120.8 Å²	120.8	78%	0.776	68%	0.677	S	S	*	*			trans	-125.7	128.9	151.4	-177	0	0	0	0	107.7	E321	E321-V323 PolarHBondContact O-N 2.98Å
324	S	28.6	Very low	31	Very low	71 Å²	71	126.4 Å²	126.4	50%	0.497	68%	0.683	S	S	.	*			trans	-76.1	152.6	-164.6	67.6	0	0	0	0	114	S326 S327	S324-S326 PolarHBondContact O-N 3.07Å; S324-S327 PolarHBondContact O-N 2.84Å
325	P	29.9	Very low	31.2	Very low	116 Å²	116	129.9 Å²	129.9	75%	0.753	68%	0.682	S	S	*	*	H	α-helix	trans	-59.8	-23.1	-173.2	-26.6	36	0	0	0	115.4	S327	P325-S327 VanDerWaalsContact C-N 3.3Å; P325-S327 PolarHBondContact O-N 3.1Å
326	S	34.8	Very low	31.8	Very low	87 Å²	87	130.1 Å²	130.1	61%	0.608	67%	0.672	S	S	*	*	H	α-helix	trans	-63.7	-29.8	-175.7	-51.4	0	0	0	0	113.9	S324	S324-S326 PolarHBondContact O-N 3.07Å
327	S	36.1	Very low	32.3	Very low	58 Å²	58	130.5 Å²	130.5	41%	0.406	67%	0.665	S	S	.	*	H	α-helix	trans	-76.6	-37.1	-173.8	-63.6	0	0	0	0	113.3	S324 P325 A329 L330 I331	S324-S327 PolarHBondContact O-N 2.84Å; P325-S327 VanDerWaalsContact C-N 3.3Å; P325-S327 PolarHBondContact O-N 3.1Å; S327-A329 PolarHBondContact O-N 3.4Å; S327-L330 PolarHBondContact O-N 3.43Å; S327-I331 WeakPolarHBondContact O-CG1 3.48Å; S327-I331 PolarHBondContact O-N 2.76Å
328	L	34.1	Very low	32.9	Very low	116 Å²	116	133 Å²	133	61%	0.607	67%	0.666	S	S	*	*	H	α-helix	trans	-67.3	-36.2	178.2	-87.3	165.1	0	0	0	112.2	L330 I331 I332	L328-L330 VanDerWaalsContact C-N 3.25Å; L328-L330 PolarHBondContact O-N 3.31Å; L328-I331 PolarHBondContact O-N 3.47Å; L328-I331 VanDerWaalsContact O-N 3.15Å; L328-I332 WeakPolarHBondContact O-CG1 3.38Å; L328-I332 PolarHBondContact O-N 2.85Å
329	A	36.5	Very low	33.3	Very low	51 Å²	51	129 Å²	129	42%	0.421	65%	0.653	S	S	.	*	H	α-helix	trans	-61.7	-32.1	175.7	0	0	0	0	0	112.9	S327 K333	S327-A329 PolarHBondContact O-N 3.4Å; A329-K333 WeakPolarHBondContact O-CB 3.16Å; A329-K333 WeakPolarHBondContact O-CG 3.13Å; A329-K333 PolarHBondContact O-N 3.33Å
330	L	39.1	Very low	33.6	Very low	125 Å²	125	128.3 Å²	128.3	65%	0.654	65%	0.651	S	S	*	*	H	α-helix	trans	-76	-33.8	174.5	-71.3	173.2	0	0	0	112.6	S327 L328 R334	S327-L330 PolarHBondContact O-N 3.43Å; L328-L330 VanDerWaalsContact C-N 3.25Å; L328-L330 PolarHBondContact O-N 3.31Å; L330-R334 VanDerWaalsContact O-CB 3.22Å; L330-R334 WeakPolarHBondContact O-CB 3.37Å; L330-R334 PolarHBondContact O-N 3.09Å; L330-R334 VanDerWaalsContact O-N 3.1Å
331	I	39.3	Very low	33.8	Very low	106 Å²	106	122.7 Å²	122.7	54%	0.544	64%	0.639	S	S	.	*	H	α-helix	trans	-69.5	-46.3	177.8	-66.7	167.7	0	0	0	110.6	S327 L328 R334 Y335	S327-I331 WeakPolarHBondContact O-CG1 3.48Å; S327-I331 PolarHBondContact O-N 2.76Å; L328-I331 PolarHBondContact O-N 3.47Å; L328-I331 VanDerWaalsContact O-N 3.15Å; I331-R334 PolarHBondContact O-N 3.5Å; I331-R334 VanDerWaalsContact O-N 3.13Å; I331-Y335 PolarHBondContact O-N 3.1Å; I331-Y335 VanDerWaalsContact O-N 3.07Å
332	I	42.6	Very low	33.9	Very low	94 Å²	94	121.1 Å²	121.1	48%	0.482	65%	0.645	S	S	.	*	H	α-helix	trans	-62.6	-49.9	178.4	-65.4	169.6	0	0	0	110.4	L328 R334 Y335 E336	L328-I332 WeakPolarHBondContact O-CG1 3.38Å; L328-I332 PolarHBondContact O-N 2.85Å; I332-R334 PolarHBondContact O-N 3.37Å; I332-R334 VanDerWaalsContact O-N 3.1Å; I332-Y335 PolarHBondContact O-N 3.05Å; I332-E336 HydrophobicContact CG2-CG 4.42Å; I332-E336 PolarHBondContact O-N 3.42Å
333	K	37.8	Very low	34	Very low	136 Å²	136	120 Å²	120	59%	0.591	64%	0.644	S	S	*	*	H	α-helix	trans	-61	-21.2	175.2	-75	178.9	176	176.9	0	114	A329 R337	A329-K333 WeakPolarHBondContact O-CB 3.16Å; A329-K333 WeakPolarHBondContact O-CG 3.13Å; A329-K333 PolarHBondContact O-N 3.33Å; K333-R337 WeakPolarHBondContact O-CB 3.43Å; K333-R337 VanDerWaalsContact O-CG 3.31Å; K333-R337 WeakPolarHBondContact O-CG 3.46Å; K333-R337 PolarHBondContact O-N 2.74Å
334	R	37.1	Very low	34.1	Very low	188 Å²	188	119.4 Å²	119.4	71%	0.709	65%	0.645	S	S	*	*	H	α-helix	trans	-86.1	-21.9	175.3	-163.1	170.3	-165	137.1	2	113	L330 I331 I332 Q338	L330-R334 VanDerWaalsContact O-CB 3.22Å; L330-R334 WeakPolarHBondContact O-CB 3.37Å; L330-R334 PolarHBondContact O-N 3.09Å; L330-R334 VanDerWaalsContact O-N 3.1Å; I331-R334 PolarHBondContact O-N 3.5Å; I331-R334 VanDerWaalsContact O-N 3.13Å; I332-R334 PolarHBondContact O-N 3.37Å; I332-R334 VanDerWaalsContact O-N 3.1Å; R334-Q338 PolarHBondContact O-NE2 2.79Å
335	Y	29.6	Very low	34.1	Very low	191 Å²	191	121.5 Å²	121.5	75%	0.749	66%	0.66	S	S	*	*	H	α-helix	trans	-79.4	-47.7	170.5	-126.7	-98.5	0	0	0	111	I331 I332 R337 Q338	I331-Y335 PolarHBondContact O-N 3.1Å; I331-Y335 VanDerWaalsContact O-N 3.07Å; I332-Y335 PolarHBondContact O-N 3.05Å; Y335-R337 VanDerWaalsContact C-N 3.3Å; Y335-R337 PolarHBondContact O-N 3.03Å; Y335-Q338 PolarHBondContact O-N 2.91Å
336	E	37.5	Very low	34.2	Very low	118 Å²	118	122.5 Å²	122.5	55%	0.551	66%	0.663	S	S	*	*	H	α-helix	trans	-65.3	-28.7	-179.4	-65.5	176.4	140.6	0	0	113.5	I332 Q338 S339	I332-E336 HydrophobicContact CG2-CG 4.42Å; I332-E336 PolarHBondContact O-N 3.42Å; E336-Q338 VanDerWaalsContact C-N 3.28Å; E336-Q338 PolarHBondContact O-N 3.4Å; E336-S339 PolarHBondContact O-OG 3.13Å; E336-S339 VanDerWaalsContact O-OG 3.08Å
337	R	34	Very low	34	Very low	203 Å²	203	123.4 Å²	123.4	77%	0.766	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-17.6	172.7	-79.5	-176.7	175.6	-156.6	-1.2	114.2	K333 Y335	K333-R337 WeakPolarHBondContact O-CB 3.43Å; K333-R337 VanDerWaalsContact O-CG 3.31Å; K333-R337 WeakPolarHBondContact O-CG 3.46Å; K333-R337 PolarHBondContact O-N 2.74Å; Y335-R337 VanDerWaalsContact C-N 3.3Å; Y335-R337 PolarHBondContact O-N 3.03Å
338	Q	36.5	Very low	34	Very low	145 Å²	145	126.9 Å²	126.9	68%	0.678	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-16.7	-179.6	-72.9	177.8	71.4	0	0	113.4	R334 Y335 E336 H340	R334-Q338 PolarHBondContact O-NE2 2.79Å; Y335-Q338 PolarHBondContact O-N 2.91Å; E336-Q338 VanDerWaalsContact C-N 3.28Å; E336-Q338 PolarHBondContact O-N 3.4Å; Q338-H340 VanDerWaalsContact C-N 3.35Å
339	S	33.9	Very low	33.8	Very low	83 Å²	83	126.9 Å²	126.9	58%	0.58	70%	0.7	S	S	*	*	S	Bend	trans	-82.4	-7.6	174.2	52	0	0	0	0	114.4	E336	E336-S339 PolarHBondContact O-OG 3.13Å; E336-S339 VanDerWaalsContact O-OG 3.08Å
340	H	32.1	Very low	33.4	Very low	164 Å²	164	130.6 Å²	130.6	76%	0.759	72%	0.717	S	S	*	*	S	Bend	trans	-128.7	33.8	-172.1	-67.6	-70.9	0	0	0	115.1	Q338	Q338-H340 VanDerWaalsContact C-N 3.35Å
341	S	28.3	Very low	33.1	Very low	93 Å²	93	134.7 Å²	134.7	65%	0.65	73%	0.73	S	S	*	*			trans	-155.8	97.7	169.1	51.5	0	0	0	0	115.4
342	S	28.9	Very low	32.5	Very low	124 Å²	124	137.4 Å²	137.4	87%	0.867	75%	0.745	S	S	*	*			trans	-165.8	75.5	155.4	66.9	0	0	0	0	112.5
343	S	27.2	Very low	32	Very low	124 Å²	124	143 Å²	143	87%	0.867	77%	0.766	S	S	*	*			trans	-136.7	58.1	173.3	64.2	0	0	0	0	111.8
344	S	31.9	Very low	31.5	Very low	114 Å²	114	146 Å²	146	80%	0.797	78%	0.779	S	S	*	*			trans	-148.8	143.5	170.3	49.6	0	0	0	0	110.4
345	S	29.1	Very low	31.1	Very low	116 Å²	116	142.6 Å²	142.6	81%	0.811	78%	0.784	S	S	*	*			trans	-90.7	140.5	177	48.8	0	0	0	0	111
346	V	32.1	Very low	31.2	Very low	136 Å²	136	138.9 Å²	138.9	82%	0.824	78%	0.78	S	S	*	*			trans	-134.7	127.8	169.8	-178.6	0	0	0	0	109.1
347	S	30	Very low	31	Very low	106 Å²	106	141.1 Å²	141.1	74%	0.741	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-92.4	154.9	175.9	-62.2	0	0	0	0	111.1
348	P	35.6	Very low	30.8	Very low	131 Å²	131	136.8 Å²	136.8	85%	0.851	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-76.5	167	-173.4	31.3	-36.4	0	0	0	114.6
349	S	30.2	Very low	30.9	Very low	116 Å²	116	135.4 Å²	135.4	81%	0.811	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-84.5	142.3	-162.4	-49.8	0	0	0	0	116.9
350	V	28.8	Very low	30.8	Very low	129 Å²	129	136.9 Å²	136.9	78%	0.782	81%	0.806	S	S	*	*			trans	13.7	125.1	136.3	-174	0	0	0	0	118.2
351	K	32	Very low	31	Very low	212 Å²	212	134.2 Å²	134.2	92%	0.922	80%	0.801	S	S	*	*			trans	-145.8	155.6	138.8	-113.5	169.3	-173.6	174	0	110.8
352	L	28.1	Very low	31.4	Very low	162 Å²	162	139.4 Å²	139.4	85%	0.848	81%	0.812	S	S	*	*			trans	-111.2	134.1	-157.2	-161.8	82	0	0	0	112.7
353	K	30.6	Very low	31.6	Very low	212 Å²	212	137.5 Å²	137.5	92%	0.922	81%	0.812	S	S	*	*			trans	-167.1	165.1	148.1	-111.5	167.6	-176.4	-177.3	0	113
354	K	27.9	Very low	32	Very low	199 Å²	199	135.5 Å²	135.5	87%	0.865	81%	0.811	S	S	*	*			trans	-100.9	175.6	-168.9	-71.9	-179.1	172	-179.1	0	113.4
355	S	29.2	Very low	32.1	Very low	116 Å²	116	134.1 Å²	134.1	81%	0.811	81%	0.806	S	S	*	*			trans	83	139.8	161.4	-76.7	0	0	0	0	117.8
356	V	31.9	Very low	32.2	Very low	113 Å²	113	136.4 Å²	136.4	69%	0.685	81%	0.808	S	S	*	*			cis	-161.8	159.6	-13.1	90.5	0	0	0	0	112.5
357	Q	32.5	Very low	32.1	Very low	165 Å²	165	139.3 Å²	139.3	77%	0.771	81%	0.81	S	S	*	*			trans	61	103.2	160.9	-71.8	160.1	0.4	0	0	122.4
358	S	29.7	Very low	32.2	Very low	113 Å²	113	138.3 Å²	138.3	79%	0.79	81%	0.808	S	S	*	*				29.4	167	109.6	-34.1	0	0	0	0	122.6
359	P	38.7	Very low	32.1	Very low	116 Å²	116	140.8 Å²	140.8	75%	0.753	81%	0.81	S	S	*	*			cis	-143.7	165.4	4.6	42.7	-24.3	0	0	0	119.7
360	S	32.6	Very low	32.2	Very low	114 Å²	114	139.6 Å²	139.6	80%	0.797	81%	0.807	S	S	*	*			trans	68.4	158.4	148.5	-125.1	0	0	0	0	119.8
361	V	36.5	Very low	32.3	Very low	107 Å²	107	142.1 Å²	142.1	65%	0.648	81%	0.811	S	S	*	*			cis	-144.8	133.1	19.9	179.9	0	0	0	0	112.7
362	K	34.9	Very low	32.1	Very low	203 Å²	203	141.3 Å²	141.3	88%	0.883	81%	0.81	S	S	*	*			trans	45.1	145.2	156.7	-58.4	166.8	-171.6	178.3	0	120.3
363	G	33.2	Very low	32.3	Very low	84 Å²	84	137.1 Å²	137.1	87%	0.866	81%	0.806	S	S	*	*			cis	124.9	140.8	6.1	0	0	0	0	0	110.7
364	G	35.5	Very low	32.6	Very low	82 Å²	82	131.7 Å²	131.7	85%	0.845	80%	0.801	S	S	*	*			cis	-156.2	-153.5	-1.6	0	0	0	0	0	108.4
365	A	35	Very low	33.1	Very low	85 Å²	85	128.1 Å²	128.1	70%	0.702	80%	0.798	S	S	*	*			cis	-160	137.7	-6.2	0	0	0	0	0	107.5
366	L	31.5	Very low	33.3	Very low	163 Å²	163	132 Å²	132	85%	0.853	80%	0.803	S	S	*	*				63.5	143.7	93.8	-58.9	173	0	0	0	115.8
367	K	29.9	Very low	33.3	Very low	197 Å²	197	135.2 Å²	135.2	86%	0.857	81%	0.811	S	S	*	*			cis	-170.1	170.3	-12.5	-176.5	175.5	176.7	-170.5	0	109
368	A	30.9	Very low	33.4	Very low	85 Å²	85	131.7 Å²	131.7	70%	0.702	81%	0.81	S	S	*	*			trans	-101	166.7	-178.4	0	0	0	0	0	116.4
369	M	34.8	Very low	33.9	Very low	183 Å²	183	132.2 Å²	132.2	90%	0.901	81%	0.811	S	S	*	*			trans	-144.7	141.9	166.1	-84	144.8	178.4	0	0	106.9
370	A	31.2	Very low	34.2	Very low	91 Å²	91	132.4 Å²	132.4	75%	0.752	81%	0.812	S	S	*	*				65.3	131.3	64	0	0	0	0	0	111.6
371	E	31.8	Very low	35.3	Very low	183 Å²	183	132.7 Å²	132.7	86%	0.855	81%	0.811	S	S	*	*			cis	-137.8	150.6	30.8	-82.7	169	125.5	0	0	111.5
372	E	28.4	Very low	35.9	Very low	195 Å²	195	133.2 Å²	133.2	91%	0.911	82%	0.816	S	S	*	*				80.5	146	74.9	-90.5	-138.1	159.8	0	0	118.7
373	G	32.3	Very low	36.5	Very low	73 Å²	73	129.2 Å²	129.2	75%	0.753	81%	0.811	S	S	*	*			trans	92.7	137.9	178.1	0	0	0	0	0	115.9
374	A	36.9	Very low	37.3	Very low	99 Å²	99	131.3 Å²	131.3	82%	0.818	81%	0.81	S	S	*	*			cis	-178.9	162.8	-19	0	0	0	0	0	105.7
375	P	38.6	Very low	37.7	Very low	123 Å²	123	131.7 Å²	131.7	80%	0.799	81%	0.805	S	S	*	*			trans	-121.2	159.1	-153.6	40.7	-30.6	0	0	0	117.7
376	E	31.7	Very low	37.8	Very low	197 Å²	197	133.2 Å²	133.2	92%	0.921	81%	0.807	S	S	*	*			trans	-144.1	177.3	155.9	-147.9	161.9	122.8	0	0	112.3
377	Q	32.3	Very low	38.4	Very low	182 Å²	182	131.7 Å²	131.7	85%	0.85	81%	0.807	S	S	*	*			trans	-116.2	143.1	-144.7	-60.8	-178	-10.3	0	0	118.2
378	A	35.7	Very low	38.6	Very low	91 Å²	91	127 Å²	127	75%	0.752	81%	0.805	S	S	*	*			trans	43.6	133	142.4	0	0	0	0	0	121.6
379	P	39.9	Very low	38.6	Very low	124 Å²	124	127.9 Å²	127.9	81%	0.805	81%	0.813	S	S	*	*				-135.3	171.7	85.9	33.9	-19	0	0	0	114.4
380	P	45.5	Very low	38.6	Very low	120 Å²	120	124.6 Å²	124.6	78%	0.779	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-89	150	-161.5	33.8	-36.4	0	0	0	116
381	P	55.1	Low	38.7	Very low	119 Å²	119	125.3 Å²	125.3	77%	0.773	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-81.3	153.6	172.8	33.5	-35	0	0	0	113.4
382	P	49.9	Very low	38.6	Very low	118 Å²	118	122.9 Å²	122.9	77%	0.766	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-75.8	160.9	-177.4	31.2	-36.4	0	0	0	114.1
383	P	46.9	Very low	38.6	Very low	120 Å²	120	121.4 Å²	121.4	78%	0.779	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-71.6	151.5	-175.6	29.4	-36.4	0	0	0	113.7
384	P	50.4	Low	38.4	Very low	128 Å²	128	126.3 Å²	126.3	83%	0.831	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-71.7	131.2	179.3	29.2	-34.5	0	0	0	112.2
385	A	42.3	Very low	38.1	Very low	90 Å²	90	126.5 Å²	126.5	74%	0.744	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-66.3	147.3	174.5	0	0	0	0	0	112
386	P	38.8	Very low	37.8	Very low	116 Å²	116	127.9 Å²	127.9	75%	0.753	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-69.7	144.8	-176.9	28.7	-35.4	0	0	0	112.2	A388	P386-A388 PolarHBondContact O-N 3.17Å
387	P	43.9	Very low	38.1	Very low	131 Å²	131	125.4 Å²	125.4	85%	0.851	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-67.4	118.7	176.6	27.6	-33.6	0	0	0	110.7
388	A	33.9	Very low	38.7	Very low	98 Å²	98	120.2 Å²	120.2	81%	0.81	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-61	143.6	177.1	0	0	0	0	0	111.7	P386 S390	P386-A388 PolarHBondContact O-N 3.17Å; A388-S390 PolarHBondContact O-N 3.17Å
389	A	29.9	Very low	39.4	Very low	104 Å²	104	120.6 Å²	120.6	86%	0.86	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-59.1	118.9	-169.9	0	0	0	0	0	113.3
390	S	34.7	Very low	40	Very low	115 Å²	115	116.7 Å²	116.7	80%	0.804	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-73.5	129.1	171.6	54.1	0	0	0	0	111	A388	A388-S390 PolarHBondContact O-N 3.17Å
391	S	33.2	Very low	40.5	Very low	106 Å²	106	112.7 Å²	112.7	74%	0.741	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-72.3	152.1	-177.6	50.5	0	0	0	0	113.7	Q393	S391-Q393 PolarHBondContact O-N 3.47Å; S391-Q393 VanDerWaalsContact O-N 3.15Å
392	S	29.4	Very low	40.7	Very low	131 Å²	131	107.8 Å²	107.8	92%	0.916	67%	0.672	S	S	*	*			trans	-57.8	109.9	-167.7	-45.3	0	0	0	0	114.3
393	Q	29.8	Very low	41.3	Very low	164 Å²	164	108 Å²	108	77%	0.766	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-93.6	130.9	171	-65.4	-176.1	4.1	0	0	111.1	S391	S391-Q393 PolarHBondContact O-N 3.47Å; S391-Q393 VanDerWaalsContact O-N 3.15Å
394	Q	27.8	Very low	42	Very low	176 Å²	176	110.6 Å²	110.6	82%	0.822	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-74.8	144.4	167.3	-69.6	178.8	-31.2	0	0	109.9	H396	Q394-H396 PolarHBondContact O-N 2.81Å
395	P	29.5	Very low	42.5	Very low	103 Å²	103	105 Å²	105	67%	0.669	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-74.1	121.9	-163.4	27.1	-35	0	0	0	114	H397	P395-H397 PolarHBondContact O-N 3.49Å
396	H	32.4	Very low	43.4	Very low	153 Å²	153	104.9 Å²	104.9	71%	0.708	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	25	-178.7	-69.2	-90.9	0	0	0	115.5	Q394 S398	Q394-H396 PolarHBondContact O-N 2.81Å; H396-S398 VanDerWaalsContact C-N 3.28Å; H396-S398 PolarHBondContact O-N 2.92Å
397	H	39.2	Very low	44.8	Very low	145 Å²	145	106.5 Å²	106.5	67%	0.671	59%	0.594	S	S	*	*	H	α-helix	trans	-67.4	-21.2	-172.8	-72.7	-48	0	0	0	115	P395 E399 A400	P395-H397 PolarHBondContact O-N 3.49Å; H397-E399 PolarHBondContact O-N 2.86Å; H397-A400 PolarHBondContact O-N 2.77Å
398	S	44	Very low	45.6	Very low	73 Å²	73	102.5 Å²	102.5	51%	0.51	56%	0.562	S	S	.	*	H	α-helix	trans	-64.1	-35.2	-169.7	58.2	0	0	0	0	114.5	H396 Y470	H396-S398 VanDerWaalsContact C-N 3.28Å; H396-S398 PolarHBondContact O-N 2.92Å; S398-Y470 VanDerWaalsContact O-CE1 3.3Å; S398-Y470 WeakPolarHBondContact O-CE1 3.47Å; S398-Y470 PolarHBondContact O-OH 3.35Å
399	E	50.1	Low	46.8	Very low	99 Å²	99	98.4 Å²	98.4	46%	0.463	53%	0.527	S	S	.	.	H	α-helix	trans	-80.7	-26.7	-176.7	-157.8	-178.9	123.3	0	0	113	H397 T401 K403	H397-E399 PolarHBondContact O-N 2.86Å; E399-T401 VanDerWaalsContact C-N 3.33Å; E399-T401 PolarHBondContact O-N 3.5Å; E399-K403 WeakPolarHBondContact O-CG 3.37Å; E399-K403 PolarHBondContact O-N 2.88Å; E399-K403 WeakPolarHBondContact OE1-CE 3.42Å; E399-K403 IonicContact OE1-NZ 3.83Å; E399-K403 PolarHBondContact OE1-NZ 3.29Å
400	A	54.1	Low	48.2	Very low	42 Å²	42	100.3 Å²	100.3	35%	0.347	52%	0.516	S	S	.	.	H	α-helix	trans	-65.9	-35.1	-179.1	0	0	0	0	0	112.3	H397 K403 R404	H397-A400 PolarHBondContact O-N 2.77Å; A400-K403 PolarHBondContact O-N 2.94Å; A400-R404 WeakPolarHBondContact O-CG 3.38Å; A400-R404 PolarHBondContact O-N 3.09Å
401	T	55.1	Low	49.3	Very low	36 Å²	36	99.2 Å²	99.2	22%	0.221	51%	0.505	C	S	.	.	H	α-helix	trans	-76.3	-40.4	-174.9	-46.7	0	0	0	0	112.7	E399 K403 R404 V405 A469	E399-T401 VanDerWaalsContact C-N 3.33Å; E399-T401 PolarHBondContact O-N 3.5Å; T401-K403 VanDerWaalsContact C-N 3.27Å; T401-K403 PolarHBondContact O-N 3.42Å; T401-R404 CarbonylContact O-C 3.54Å; T401-R404 WeakPolarHBondContact O-CA 3.37Å; T401-R404 WeakPolarHBondContact O-CB 3.47Å; T401-R404 PolarHBondContact O-N 3.35Å; T401-V405 WeakPolarHBondContact O-CG2 3.27Å; T401-V405 PolarHBondContact O-N 3.49Å; T401-A469 HydrophobicContact CG2-CB 3.37Å
402	L	58.9	Low	50.4	Low	16 Å²	16	98.8 Å²	98.8	8%	0.084	49%	0.487	C	S	.	.	H	α-helix	trans	-60.3	-38	169.1	-96.4	166.4	0	0	0	111.4	R404 V405 R406 Y470 R509	L402-R404 PolarHBondContact O-N 3.37Å; L402-V405 PolarHBondContact O-N 3.39Å; L402-R406 VanDerWaalsContact O-CB 3.24Å; L402-R406 WeakPolarHBondContact O-CB 3.25Å; L402-R406 PolarHBondContact O-N 3.42Å; L402-Y470 WeakPolarHBondContact CB-OH 3.36Å; L402-Y470 HydrophobicContact CD1-CE2 4.35Å; L402-Y470 HydrophobicContact CG-CE2 3.96Å; L402-Y470 VanDerWaalsContact CG-OH 3.3Å; L402-Y470 WeakPolarHBondContact CG-OH 3.37Å; L402-Y470 PolarHBondContact N-OH 3.42Å; L402-R509 HydrophobicContact CD1-CG 3.97Å
403	K	63.2	Low	51.4	Low	122 Å²	122	95.5 Å²	95.5	53%	0.53	46%	0.456	S	S	.	.	H	α-helix	trans	-63.7	-36.8	171.7	-72.8	174.1	-180	173	0	112.7	E399 A400 T401 K407	E399-K403 WeakPolarHBondContact O-CG 3.37Å; E399-K403 PolarHBondContact O-N 2.88Å; E399-K403 WeakPolarHBondContact OE1-CE 3.42Å; E399-K403 IonicContact OE1-NZ 3.83Å; E399-K403 PolarHBondContact OE1-NZ 3.29Å; A400-K403 PolarHBondContact O-N 2.94Å; T401-K403 VanDerWaalsContact C-N 3.27Å; T401-K403 PolarHBondContact O-N 3.42Å; K403-K407 WeakPolarHBondContact O-CB 3.25Å; K403-K407 PolarHBondContact O-N 3.16Å
404	R	61.8	Low	51.8	Low	175 Å²	175	92.4 Å²	92.4	66%	0.66	45%	0.45	S	S	*	.	H	α-helix	trans	-67.5	-44	171.8	-70.9	177.6	-167.2	162.2	3.2	112.5	A400 T401 L402 K407 W408	A400-R404 WeakPolarHBondContact O-CG 3.38Å; A400-R404 PolarHBondContact O-N 3.09Å; T401-R404 CarbonylContact O-C 3.54Å; T401-R404 WeakPolarHBondContact O-CA 3.37Å; T401-R404 WeakPolarHBondContact O-CB 3.47Å; T401-R404 PolarHBondContact O-N 3.35Å; L402-R404 PolarHBondContact O-N 3.37Å; R404-K407 PolarHBondContact O-N 2.92Å; R404-W408 WeakPolarHBondContact O-CB 3.45Å; R404-W408 PolarHBondContact O-N 3.48Å
405	V	60.2	Low	52.1	Low	9 Å²	9	87 Å²	87	6%	0.055	44%	0.436	C	S	.	.	H	α-helix	trans	-62.7	-46.9	176.5	173.5	0	0	0	0	110	T401 L402 K407 W408 C409 L462 K465	T401-V405 WeakPolarHBondContact O-CG2 3.27Å; T401-V405 PolarHBondContact O-N 3.49Å; L402-V405 PolarHBondContact O-N 3.39Å; V405-K407 VanDerWaalsContact C-N 3.34Å; V405-K407 PolarHBondContact O-N 3.09Å; V405-W408 WeakPolarHBondContact O-CB 3.11Å; V405-W408 PolarHBondContact O-N 3.44Å; V405-W408 VanDerWaalsContact O-N 3.15Å; V405-C409 PolarHBondContact O-N 3.36Å; V405-C409 PolarHBondContact O-SG 2.97Å; V405-L462 HydrophobicContact CG1-CD1 3.77Å; V405-K465 HydrophobicContact CG2-CB 4.47Å
406	R	61.8	Low	52.1	Low	88 Å²	88	85.7 Å²	85.7	33%	0.332	43%	0.433	S	S	.	.	H	α-helix	trans	-60.7	-39.6	174.8	-168.8	-177.8	-166.4	172.9	11.7	112.6	L402 K410 F503 D504	L402-R406 VanDerWaalsContact O-CB 3.24Å; L402-R406 WeakPolarHBondContact O-CB 3.25Å; L402-R406 PolarHBondContact O-N 3.42Å; R406-K410 WeakPolarHBondContact O-CB 3.34Å; R406-K410 WeakPolarHBondContact O-CG 3.31Å; R406-K410 PolarHBondContact O-N 3.35Å; R406-F503 HydrophobicContact CB-CB 4.49Å; R406-F503 HydrophobicContact CG-CB 4.43Å; R406-F503 HydrophobicContact CG-CD2 4.43Å; R406-D504 IonicContact CZ-OD1 2.69Å; R406-D504 IonicContact CZ-OD2 3.64Å; R406-D504 IonicContact NH1-OD1 2.79Å; R406-D504 PolarHBondContact NH1-OD1 3.1Å; R406-D504 IonicContact NH1-OD2 3.1Å; R406-D504 PolarHBondContact NH1-OD2 3.43Å; R406-D504 IonicContact NH2-OD1 2.85Å; R406-D504 IonicContact NH2-OD2 3.86Å; R406-D504 PolarHBondContact NH2-OD2 2.91Å
407	K	67	Low	52	Low	150 Å²	150	81.6 Å²	81.6	65%	0.652	43%	0.426	S	S	*	.	H	α-helix	trans	-64.7	-47.1	172.5	-174.7	175.3	179.9	179.2	0	110.8	K403 R404 V405 C409 K410 T411	K403-K407 WeakPolarHBondContact O-CB 3.25Å; K403-K407 PolarHBondContact O-N 3.16Å; R404-K407 PolarHBondContact O-N 2.92Å; V405-K407 VanDerWaalsContact C-N 3.34Å; V405-K407 PolarHBondContact O-N 3.09Å; K407-C409 PolarHBondContact O-N 2.86Å; K407-K410 CarbonylContact O-C 3.6Å; K407-K410 PolarHBondContact O-N 2.92Å; K407-K410 VanDerWaalsContact O-N 3.15Å; K407-T411 HydrophobicContact CG-CG2 4.21Å; K407-T411 WeakPolarHBondContact O-CG2 3.25Å; K407-T411 PolarHBondContact O-N 3.48Å; K407-T411 PolarHBondContact O-OG1 2.72Å
408	W	62.2	Low	51.5	Low	47 Å²	47	82 Å²	82	18%	0.178	43%	0.433	C	S	.	.	H	α-helix	trans	-57.8	-45.9	178.3	171	77.8	0	0	0	111.9	R404 V405 T411 R412 L458 Q461 K465	R404-W408 WeakPolarHBondContact O-CB 3.45Å; R404-W408 PolarHBondContact O-N 3.48Å; V405-W408 WeakPolarHBondContact O-CB 3.11Å; V405-W408 PolarHBondContact O-N 3.44Å; V405-W408 VanDerWaalsContact O-N 3.15Å; W408-T411 WeakPolarHBondContact CA-OG1 3.28Å; W408-T411 PolarHBondContact O-N 3.23Å; W408-T411 PolarHBondContact O-OG1 3.03Å; W408-R412 PolarHBondContact O-N 2.93Å; W408-L458 HydrophobicContact CH2-CD1 3.6Å; W408-L458 HydrophobicContact CZ3-CD1 4.13Å; W408-Q461 HydrophobicContact CH2-CB 4.1Å; W408-K465 HydrophobicContact CD2-CD 4.45Å; W408-K465 HydrophobicContact CE3-CD 4.31Å; W408-K465 HydrophobicContact CH2-CD 4.36Å; W408-K465 VanDerWaalsContact CH2-NZ 3.34Å; W408-K465 HydrophobicContact CZ3-CD 4.26Å
409	C	59	Low	50.9	Low	12 Å²	12	84.5 Å²	84.5	8%	0.081	45%	0.446	C	S	.	.	H	α-helix	trans	-56.9	-56.6	170.5	-63.7	0	0	0	0	110.3	V405 K407 T411 R412 F413 F503	V405-C409 PolarHBondContact O-N 3.36Å; V405-C409 PolarHBondContact O-SG 2.97Å; K407-C409 PolarHBondContact O-N 2.86Å; C409-T411 PolarHBondContact O-N 3.44Å; C409-T411 VanDerWaalsContact O-N 3.1Å; C409-R412 CarbonylContact O-C 3.59Å; C409-R412 PolarHBondContact O-N 3.33Å; C409-F413 HydrophobicContact CB-CD2 4.23Å; C409-F413 WeakPolarHBondContact O-CD2 3.48Å; C409-F413 PolarHBondContact O-N 2.69Å; C409-F503 HydrophobicContact CB-CE2 4.05Å
410	K	58.3	Low	49.8	Very low	145 Å²	145	84.1 Å²	84.1	63%	0.63	46%	0.459	S	S	*	.	H	α-helix	trans	-59	-25.1	179.3	-74.8	-172.6	172	-158.7	0	114.9	R406 K407 F413	R406-K410 WeakPolarHBondContact O-CB 3.34Å; R406-K410 WeakPolarHBondContact O-CG 3.31Å; R406-K410 PolarHBondContact O-N 3.35Å; K407-K410 CarbonylContact O-C 3.6Å; K407-K410 PolarHBondContact O-N 2.92Å; K407-K410 VanDerWaalsContact O-N 3.15Å; K410-F413 CarbonylContact O-C 3.59Å
411	T	58.9	Low	48.6	Very low	91 Å²	91	87.5 Å²	87.5	56%	0.558	48%	0.476	S	S	*	.	H	α-helix	trans	-87.5	-17.8	176	50.9	0	0	0	0	114.2	K407 W408 C409	K407-T411 HydrophobicContact CG-CG2 4.21Å; K407-T411 WeakPolarHBondContact O-CG2 3.25Å; K407-T411 PolarHBondContact O-N 3.48Å; K407-T411 PolarHBondContact O-OG1 2.72Å; W408-T411 WeakPolarHBondContact CA-OG1 3.28Å; W408-T411 PolarHBondContact O-N 3.23Å; W408-T411 PolarHBondContact O-OG1 3.03Å; C409-T411 PolarHBondContact O-N 3.44Å; C409-T411 VanDerWaalsContact O-N 3.1Å
412	R	54.9	Low	47.4	Very low	98 Å²	98	92.3 Å²	92.3	37%	0.37	51%	0.505	S	S	.	.	H	α-helix	trans	-99.5	-19.5	171.7	-73.1	-168.9	170.2	-173.1	-11.1	112.8	W408 C409 T450 D454	W408-R412 PolarHBondContact O-N 2.93Å; C409-R412 CarbonylContact O-C 3.59Å; C409-R412 PolarHBondContact O-N 3.33Å; R412-T450 WeakPolarHBondContact CD-OG1 3.48Å; R412-T450 PolarHBondContact NH1-OG1 3.31Å; R412-D454 IonicContact NH1-OD2 2.78Å
413	F	50.6	Low	46	Very low	62 Å²	62	96.4 Å²	96.4	27%	0.272	54%	0.541	S	S	.	.			trans	-126.8	65.2	175.6	-42	-63.3	0	0	0	109.8	C409 K410 L458	C409-F413 HydrophobicContact CB-CD2 4.23Å; C409-F413 WeakPolarHBondContact O-CD2 3.48Å; C409-F413 PolarHBondContact O-N 2.69Å; K410-F413 CarbonylContact O-C 3.59Å; F413-L458 HydrophobicContact CD2-CD2 4.39Å; F413-L458 HydrophobicContact CE1-CD2 3.74Å; F413-L458 HydrophobicContact CE2-CD1 3.67Å; F413-L458 HydrophobicContact CE2-CD2 3.61Å; F413-L458 HydrophobicContact CE2-CG 4.27Å; F413-L458 HydrophobicContact CZ-CD1 3.49Å; F413-L458 VanDerWaalsContact CZ-CD1 3.49Å; F413-L458 HydrophobicContact CZ-CD2 3.25Å; F413-L458 HydrophobicContact CZ-CG 3.99Å
414	P	39.2	Very low	44.3	Very low	98 Å²	98	97.2 Å²	97.2	64%	0.636	56%	0.556	S	S	*	*			trans	-60.7	132.7	148.2	31.5	-31.3	0	0	0	106.9	A416	P414-A416 PolarHBondContact O-N 3.2Å
415	A	33.2	Very low	42.9	Very low	63 Å²	63	93.1 Å²	93.1	52%	0.521	56%	0.555	S	S	.	*			trans	-54.6	134.4	-164.7	0	0	0	0	0	112.8	A417 E499	A415-A417 HydrophobicContact CB-CB 4.22Å; A415-A417 PolarHBondContact O-N 2.73Å; A415-E499 WeakPolarHBondContact CA-OE1 3.38Å
416	A	30.6	Very low	41.6	Very low	75 Å²	75	100.7 Å²	100.7	62%	0.62	59%	0.59	S	S	*	*	G	3₁₀ helix	trans	-73.2	16	177.1	0	0	0	0	0	113.3	P414 N418 E499	P414-A416 PolarHBondContact O-N 3.2Å; A416-N418 VanDerWaalsContact C-N 3.34Å; A416-N418 PolarHBondContact O-N 3.19Å; A416-E499 PolarHBondContact N-OE1 2.94Å
417	A	29.6	Very low	40.3	Very low	68 Å²	68	102.7 Å²	102.7	56%	0.562	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-76.5	-13.3	-173	0	0	0	0	0	114.6	A415	A415-A417 HydrophobicContact CB-CB 4.22Å; A415-A417 PolarHBondContact O-N 2.73Å
418	N	29	Very low	38.6	Very low	152 Å²	152	101.8 Å²	101.8	81%	0.813	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-101.7	4.5	-173.6	-75.6	24.8	0	0	0	114.6	A416	A416-N418 VanDerWaalsContact C-N 3.34Å; A416-N418 PolarHBondContact O-N 3.19Å
419	T	30.5	Very low	36.9	Very low	126 Å²	126	109.4 Å²	109.4	77%	0.773	64%	0.642	S	S	*	*	S	Bend	trans	-117.2	18	176.1	46.5	0	0	0	0	113.2	T421	T419-T421 VanDerWaalsContact C-N 3.26Å
420	A	29	Very low	35.4	Very low	91 Å²	91	116.2 Å²	116.2	75%	0.752	68%	0.678	S	S	*	*	S	Bend	trans	-86.8	10	172.8	0	0	0	0	0	113.5
421	T	27.6	Very low	34.2	Very low	113 Å²	113	114.9 Å²	114.9	69%	0.693	68%	0.677	S	S	*	*	S	Bend	trans	-136.5	144.4	-176	-39.1	0	0	0	0	109.2	T419	T419-T421 VanDerWaalsContact C-N 3.26Å
422	V	29.6	Very low	32.8	Very low	138 Å²	138	119.8 Å²	119.8	84%	0.836	69%	0.694	S	S	*	*	S	Bend	trans	73	65.8	-176.8	-162	0	0	0	0	114.5
423	A	29.9	Very low	31.6	Very low	101 Å²	101	121.9 Å²	121.9	84%	0.835	71%	0.712	S	S	*	*			trans	-148	35	160.2	0	0	0	0	0	112.1	S425	A423-S425 PolarHBondContact O-N 2.74Å; A423-S425 VanDerWaalsContact O-N 3.16Å
424	T	28.4	Very low	30.6	Very low	139 Å²	139	128.2 Å²	128.2	85%	0.853	74%	0.735	S	S	*	*			trans	-80.8	94.5	-175.2	-52.5	0	0	0	0	112
425	S	31.4	Very low	30.5	Very low	90 Å²	90	128.7 Å²	128.7	63%	0.629	74%	0.738	S	S	*	*			trans	-175	120.7	138.1	-89.1	0	0	0	0	115.2	A423	A423-S425 PolarHBondContact O-N 2.74Å; A423-S425 VanDerWaalsContact O-N 3.16Å
426	Q	33.8	Very low	30.9	Very low	168 Å²	168	131.1 Å²	131.1	79%	0.785	75%	0.75	S	S	*	*			trans	75.7	126.4	137	-58	172.7	38.1	0	0	120.5
427	T	33.6	Very low	32.3	Very low	129 Å²	129	130.1 Å²	130.1	79%	0.791	74%	0.738	S	S	*	*			trans	75.2	139.7	164.3	71.8	0	0	0	0	120.1
428	L	31.1	Very low	34.5	Very low	131 Å²	131	128.6 Å²	128.6	69%	0.686	73%	0.725	S	S	*	*			cis	-162.3	132.5	-32.7	-113.2	-174.1	0	0	0	109.2
429	R	26	Very low	37	Very low	208 Å²	208	121.9 Å²	121.9	79%	0.785	69%	0.69	S	S	*	*			trans	76.3	137.3	158.3	-55.4	173.9	-170.3	174.9	3.2	120.2
430	D	28.3	Very low	39.7	Very low	155 Å²	155	116.6 Å²	116.6	83%	0.829	66%	0.656	S	S	*	*			trans	47.8	93.3	149.7	-51.7	-30.8	0	0	0	123
431	D	32.3	Very low	42.3	Very low	117 Å²	117	114.1 Å²	114.1	63%	0.626	64%	0.639	S	S	*	*				-155.8	107.5	128	-180	14.9	0	0	0	110.3	N433	D431-N433 PolarHBondContact OD1-N 3.4Å
432	Q	30.6	Very low	45.1	Very low	193 Å²	193	111.4 Å²	111.4	90%	0.902	62%	0.62	S	S	*	*			trans	-110.3	45.3	-176	-87.4	-98	14.8	0	0	112.5
433	N	30.4	Very low	47.8	Very low	142 Å²	142	109.8 Å²	109.8	76%	0.759	60%	0.603	S	S	*	*			trans	-148.7	30.8	174	-149.8	8.3	0	0	0	117.8	D431 P435	D431-N433 PolarHBondContact OD1-N 3.4Å; N433-P435 WeakPolarHBondContact O-CD 3.32Å
434	R	29.1	Very low	50.6	Low	196 Å²	196	105.5 Å²	105.5	74%	0.74	57%	0.566	S	S	*	*			trans	-87.4	118.8	173.7	-74.3	-172	171.4	-154.3	-5.7	113.4	C436	R434-C436 VanDerWaalsContact C-N 3.32Å; R434-C436 VanDerWaalsContact CB-SG 3.51Å; R434-C436 PolarHBondContact O-N 3.47Å
435	P	36.2	Very low	53.3	Low	108 Å²	108	104.3 Å²	104.3	70%	0.701	55%	0.551	S	S	*	*			trans	-79.8	76	169.2	33	-34.8	0	0	0	111.3	N433 S437	N433-P435 WeakPolarHBondContact O-CD 3.32Å; P435-S437 PolarHBondContact O-N 3.23Å
436	C	41.7	Very low	55.9	Low	114 Å²	114	104.5 Å²	104.5	77%	0.77	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	44.5	-170.9	-64.8	0	0	0	0	117.1	R434	R434-C436 VanDerWaalsContact C-N 3.32Å; R434-C436 VanDerWaalsContact CB-SG 3.51Å; R434-C436 PolarHBondContact O-N 3.47Å
437	S	59.8	Low	58.3	Low	53 Å²	53	97 Å²	97	37%	0.371	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153.8	-8.3	168.9	-148.1	0	0	0	0	116.1	P435 V439 D495 Q496 G497	P435-S437 PolarHBondContact O-N 3.23Å; S437-V439 PolarHBondContact O-N 3.1Å; S437-D495 CarbonylContact O-C 3.55Å; S437-Q496 PolarHBondContact OG-O 2.78Å; S437-G497 PolarHBondContact OG-N 3.18Å
438	A	75.5	Confident	60.7	Low	36 Å²	36	96.3 Å²	96.3	30%	0.298	50%	0.502	S	S	.	.			trans	-63.2	133.4	179.9	0	0	0	0	0	111.4	L442	A438-L442 WeakPolarHBondContact O-CD1 3.43Å; A438-L442 WeakPolarHBondContact O-CG 3.37Å
439	V	81.6	Confident	63.2	Low	11 Å²	11	91.7 Å²	91.7	7%	0.067	48%	0.479	C	S	.	.			trans	-105	-27.6	177.7	173.3	0	0	0	0	110.7	S437 I459 L494 D495 F498 F521	S437-V439 PolarHBondContact O-N 3.1Å; V439-I459 HydrophobicContact CG1-CB 4.15Å; V439-I459 HydrophobicContact CG1-CD1 3.96Å; V439-I459 HydrophobicContact CG1-CG2 4.17Å; V439-L494 WeakPolarHBondContact CG2-O 3.37Å; V439-D495 PolarHBondContact N-OD1 3.21Å; V439-F498 HydrophobicContact CG1-CE2 4.07Å; V439-F498 HydrophobicContact CG1-CZ 3.8Å; V439-F498 HydrophobicContact CG2-CD2 4.21Å; V439-F498 HydrophobicContact CG2-CE2 3.61Å; V439-F498 HydrophobicContact CG2-CZ 4.12Å; V439-F521 WeakPolarHBondContact O-CE2 3.29Å
440	F	87.4	Confident	65.5	Low	16 Å²	16	83.3 Å²	83.3	7%	0.07	45%	0.451	C	S	.	.	S	Bend	trans	-101	129.2	176.8	-71.9	-90.8	0	0	0	112	I459 L494 D495 L517 F521 K524	F440-I459 HydrophobicContact CD2-CD1 4.47Å; F440-I459 HydrophobicContact CE1-CD1 3.94Å; F440-I459 HydrophobicContact CE2-CD1 3.65Å; F440-I459 HydrophobicContact CZ-CD1 3.36Å; F440-L494 HydrophobicContact CE2-CB 4.11Å; F440-L494 HydrophobicContact CE2-CD1 4.11Å; F440-L494 HydrophobicContact CZ-CD1 4.46Å; F440-D495 WeakPolarHBondContact CD2-OD1 3.35Å; F440-D495 WeakPolarHBondContact CD2-OD2 3.32Å; F440-D495 PolarHBondContact N-OD1 2.88Å; F440-L517 HydrophobicContact CE2-CD1 4.42Å; F440-L517 HydrophobicContact CZ-CD1 3.68Å; F440-L517 HydrophobicContact CZ-CG 4.18Å; F440-F521 HydrophobicContact CD1-CB 4.21Å; F440-F521 AromaticContact CD1-CD2 3.95Å; F440-F521 HydrophobicContact CD1-CD2 3.95Å; F440-F521 HydrophobicContact CE1-CB 3.78Å; F440-F521 HydrophobicContact CE1-CD2 4.09Å; F440-F521 HydrophobicContact CE1-CG 4.46Å; F440-K524 HydrophobicContact CB-CD 3.61Å; F440-K524 HydrophobicContact CD1-CD 3.74Å; F440-K524 HydrophobicContact CG-CD 4.01Å
441	G	84.1	Confident	67.4	Low	39 Å²	39	77.5 Å²	77.5	40%	0.402	43%	0.428	S	S	.	.	S	Bend	trans	100.1	-5.4	177.3	0	0	0	0	0	114.7	P526	G441-P526 VanDerWaalsContact O-CG 3.25Å; G441-P526 WeakPolarHBondContact O-CG 3.4Å
442	L	86.5	Confident	68.7	Low	56 Å²	56	81 Å²	81	29%	0.293	44%	0.44	S	S	.	.	S	Bend	trans	-68.4	161.2	166	-64.2	-171.7	0	0	0	111.9	A438 D446 P526	A438-L442 WeakPolarHBondContact O-CD1 3.43Å; A438-L442 WeakPolarHBondContact O-CG 3.37Å; L442-D446 HydrophobicContact CB-CB 4.08Å; L442-D446 HydrophobicContact CD1-CB 4.12Å; L442-P526 WeakPolarHBondContact O-CD 3.1Å
443	H	86.9	Confident	70.3	Confident	104 Å²	104	77.5 Å²	77.5	48%	0.481	43%	0.432	S	S	.	.			trans	-68.3	161.5	164.1	-56	95.2	0	0	0	110.4	E445 D446 C447	H443-E445 PolarHBondContact O-N 3.43Å; H443-D446 VanDerWaalsContact CB-OD2 3.32Å; H443-D446 WeakPolarHBondContact CB-OD2 3.21Å; H443-D446 IonicContact CG-OD2 2.84Å; H443-D446 PolarHBondContact N-OD2 3.5Å; H443-D446 IonicContact ND1-OD2 3.78Å; H443-D446 PolarHBondContact ND1-OD2 3.45Å; H443-D446 VanDerWaalsContact ND1-OD2 3.11Å; H443-D446 PolarHBondContact O-N 2.88Å; H443-C447 PolarHBondContact O-N 2.97Å; H443-C447 PolarHBondContact O-SG 3.15Å
444	L	87.9	Confident	72.5	Confident	11 Å²	11	73.1 Å²	73.1	6%	0.058	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-19.7	-177.4	-161.1	69.3	0	0	0	113.1	P457 F521 L525 L529 H564 N565 T568	L444-P457 HydrophobicContact CD1-CG 3.65Å; L444-P457 HydrophobicContact CG-CG 4.32Å; L444-F521 HydrophobicContact CD1-CE1 4.19Å; L444-F521 HydrophobicContact CD1-CZ 4.47Å; L444-L525 HydrophobicContact CD1-CD1 4.06Å; L444-L525 HydrophobicContact CD1-CD2 4.1Å; L444-L529 HydrophobicContact CD2-CD1 3.61Å; L444-H564 HydrophobicContact CB-CB 4.48Å; L444-H564 HydrophobicContact CD2-CB 4.17Å; L444-H564 HydrophobicContact CG-CB 4.21Å; L444-N565 HydrophobicContact CD2-CB 4.26Å; L444-T568 HydrophobicContact CD1-CG2 4.32Å; L444-T568 HydrophobicContact CD2-CG2 4.34Å
445	E	85.4	Confident	75.3	Confident	113 Å²	113	66.2 Å²	66.2	53%	0.528	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-35.2	-179	-44.1	-160.1	133.4	0	0	111.5	H443 C447 H564	H443-E445 PolarHBondContact O-N 3.43Å; E445-C447 PolarHBondContact O-N 3.46Å; E445-H564 HydrophobicContact CG-CB 4.05Å; E445-H564 IonicContact OE1-CD2 3.95Å; E445-H564 PolarHBondContact OE1-CD2 3.28Å
446	D	85.4	Confident	77.9	Confident	95 Å²	95	61.7 Å²	61.7	51%	0.508	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-14.1	173.5	-56.5	-47	0	0	0	113.3	L442 H443	L442-D446 HydrophobicContact CB-CB 4.08Å; L442-D446 HydrophobicContact CD1-CB 4.12Å; H443-D446 VanDerWaalsContact CB-OD2 3.32Å; H443-D446 WeakPolarHBondContact CB-OD2 3.21Å; H443-D446 IonicContact CG-OD2 2.84Å; H443-D446 PolarHBondContact N-OD2 3.5Å; H443-D446 IonicContact ND1-OD2 3.78Å; H443-D446 PolarHBondContact ND1-OD2 3.45Å; H443-D446 VanDerWaalsContact ND1-OD2 3.11Å; H443-D446 PolarHBondContact O-N 2.88Å
447	C	85.1	Confident	80.2	Confident	9 Å²	9	56.3 Å²	56.3	6%	0.061	32%	0.318	C	S	.	.	S	Bend	trans	-75.5	125.3	-171.6	-77.8	0	0	0	0	112.8	H443 E445 T449 P457	H443-C447 PolarHBondContact O-N 2.97Å; H443-C447 PolarHBondContact O-SG 3.15Å; E445-C447 PolarHBondContact O-N 3.46Å; C447-T449 VanDerWaalsContact O-CG2 3.26Å; C447-T449 WeakPolarHBondContact O-CG2 3.27Å; C447-T449 PolarHBondContact O-N 3.19Å; C447-P457 HydrophobicContact CB-CB 3.91Å; C447-P457 HydrophobicContact CB-CG 3.74Å
448	L	83.3	Confident	81.5	Confident	115 Å²	115	54 Å²	54	60%	0.602	30%	0.301	S	S	*	.			trans	-48.7	125.3	174.1	-66.8	174.6	0	0	0	112.4	L458 F498	L448-L458 VanDerWaalsContact O-CB 3.27Å; L448-L458 WeakPolarHBondContact O-CB 3.44Å; L448-L458 PolarHBondContact O-N 2.85Å; L448-F498 HydrophobicContact CB-CE2 4.22Å; L448-F498 HydrophobicContact CD1-CD2 3.84Å; L448-F498 HydrophobicContact CD1-CE2 4.01Å
449	T	84.7	Confident	82.3	Confident	34 Å²	34	52.4 Å²	52.4	21%	0.209	29%	0.287	C	S	.	.			trans	-108.6	-162.4	177.8	79.5	0	0	0	0	110.9	C447 G451 D454	C447-T449 VanDerWaalsContact O-CG2 3.26Å; C447-T449 WeakPolarHBondContact O-CG2 3.27Å; C447-T449 PolarHBondContact O-N 3.19Å; T449-G451 PolarHBondContact OG1-N 2.83Å; T449-G451 PolarHBondContact OG1-O 3.41Å; T449-G451 VanDerWaalsContact OG1-O 3.12Å; T449-D454 WeakPolarHBondContact CB-O 3.34Å; T449-D454 WeakPolarHBondContact CG2-O 3.44Å; T449-D454 PolarHBondContact OG1-O 2.99Å
450	T	73.2	Confident	82.8	Confident	33 Å²	33	51.9 Å²	51.9	20%	0.202	28%	0.284	C	S	.	.	S	Bend	trans	-85	-21.6	174.7	-91	0	0	0	0	113.4	R412 D454	R412-T450 WeakPolarHBondContact CD-OG1 3.48Å; R412-T450 PolarHBondContact NH1-OG1 3.31Å; T450-D454 WeakPolarHBondContact CB-OD2 3.36Å; T450-D454 HydrophobicContact CG2-CB 4.07Å; T450-D454 VanDerWaalsContact CG2-OD2 3.28Å; T450-D454 WeakPolarHBondContact CG2-OD2 3.48Å
451	G	68.1	Low	83	Confident	33 Å²	33	51.5 Å²	51.5	34%	0.34	28%	0.283	S	S	.	.	S	Bend	trans	156.9	168.7	-165.8	0	0	0	0	0	110.6	T449 T453 D454	T449-G451 PolarHBondContact OG1-N 2.83Å; T449-G451 PolarHBondContact OG1-O 3.41Å; T449-G451 VanDerWaalsContact OG1-O 3.12Å; G451-T453 PolarHBondContact O-N 2.78Å; G451-D454 PolarHBondContact O-N 3.29Å
452	E	59.7	Low	83.3	Confident	189 Å²	189	49.7 Å²	49.7	88%	0.883	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.3	-163.6	-62	168.3	-177.7	0	0	115.4
453	T	64.2	Low	83.6	Confident	120 Å²	120	47 Å²	47	74%	0.736	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-15.3	178.4	56	0	0	0	0	114.3	G451 Y455	G451-T453 PolarHBondContact O-N 2.78Å; T453-Y455 VanDerWaalsContact O-CD2 3.29Å; T453-Y455 WeakPolarHBondContact O-CD2 3.47Å; T453-Y455 WeakPolarHBondContact O-CE2 3.49Å; T453-Y455 PolarHBondContact O-N 3.01Å
454	D	77.8	Confident	83.9	Confident	51 Å²	51	42.1 Å²	42.1	27%	0.273	23%	0.227	S	C	.	.			trans	-90	101.8	-179.6	-98.8	31.8	0	0	0	108.9	R412 T449 T450 G451 V456 Q461	R412-D454 IonicContact NH1-OD2 2.78Å; T449-D454 WeakPolarHBondContact CB-O 3.34Å; T449-D454 WeakPolarHBondContact CG2-O 3.44Å; T449-D454 PolarHBondContact OG1-O 2.99Å; T450-D454 WeakPolarHBondContact CB-OD2 3.36Å; T450-D454 HydrophobicContact CG2-CB 4.07Å; T450-D454 VanDerWaalsContact CG2-OD2 3.28Å; T450-D454 WeakPolarHBondContact CG2-OD2 3.48Å; G451-D454 PolarHBondContact O-N 3.29Å; D454-V456 PolarHBondContact O-N 3.07Å; D454-Q461 PolarHBondContact OD2-NE2 2.95Å
455	Y	87.2	Confident	84	Confident	50 Å²	50	44 Å²	44	20%	0.196	24%	0.235	C	C	.	.			trans	-80.3	4.7	179.2	-70	-86.1	0	0	0	114.6	T453 R563 H564	T453-Y455 VanDerWaalsContact O-CD2 3.29Å; T453-Y455 WeakPolarHBondContact O-CD2 3.47Å; T453-Y455 WeakPolarHBondContact O-CE2 3.49Å; T453-Y455 PolarHBondContact O-N 3.01Å; Y455-R563 HydrophobicContact CD1-CB 4.3Å; Y455-R563 HydrophobicContact CD1-CG 3.89Å; Y455-R563 HydrophobicContact CD2-CG 4.22Å; Y455-R563 HydrophobicContact CE1-CB 4.46Å; Y455-R563 HydrophobicContact CE1-CG 4.01Å; Y455-R563 HydrophobicContact CE2-CG 4.33Å; Y455-R563 HydrophobicContact CG-CG 4.02Å; Y455-R563 VanDerWaalsContact CZ-CZ 3.43Å; Y455-R563 VanDerWaalsContact OH-CZ 3.28Å; Y455-R563 PolarHBondContact OH-NH1 3.29Å; Y455-R563 VanDerWaalsContact OH-NH1 3.13Å; Y455-H564 AromaticContact CD1-CD2 3.93Å; Y455-H564 AromaticContact CD1-CE1 3.72Å; Y455-H564 AromaticContact CD1-ND1 3.98Å; Y455-H564 AromaticContact CD1-NE2 3.64Å; Y455-H564 AromaticContact CE1-NE2 3.91Å
456	V	89.8	Confident	84.2	Confident	14 Å²	14	38.6 Å²	38.6	9%	0.085	21%	0.21	C	C	.	.	S	Bend	trans	-105.4	118.4	-172.9	-175.8	0	0	0	0	110.6	D454 I460 Q461 E567 Y571	D454-V456 PolarHBondContact O-N 3.07Å; V456-I460 HydrophobicContact CG1-CB 4.38Å; V456-I460 HydrophobicContact CG1-CG2 4.28Å; V456-Q461 HydrophobicContact CB-CG 4.42Å; V456-Q461 HydrophobicContact CG1-CG 4.03Å; V456-Q461 PolarHBondContact O-NE2 3.25Å; V456-E567 HydrophobicContact CG2-CB 4.09Å; V456-Y571 HydrophobicContact CG1-CD1 3.82Å; V456-Y571 HydrophobicContact CG1-CE1 4.41Å; V456-Y571 HydrophobicContact CG1-CG 3.99Å; V456-Y571 HydrophobicContact CG2-CG 4.47Å
457	P	91.2	Very high	84.6	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.006	19%	0.186	C	C	.	.			trans	-50.1	139	179.8	-31.1	34.6	0	0	0	114.7	L444 C447 I459 I460 Q461 F521 T568	L444-P457 HydrophobicContact CD1-CG 3.65Å; L444-P457 HydrophobicContact CG-CG 4.32Å; C447-P457 HydrophobicContact CB-CB 3.91Å; C447-P457 HydrophobicContact CB-CG 3.74Å; P457-I459 VanDerWaalsContact C-N 3.31Å; P457-I459 HydrophobicContact CB-CG2 4.19Å; P457-I459 PolarHBondContact O-N 2.78Å; P457-I460 HydrophobicContact CB-CD1 4.19Å; P457-I460 HydrophobicContact CB-CG1 4.28Å; P457-I460 HydrophobicContact CG-CD1 4.11Å; P457-I460 WeakPolarHBondContact O-CB 3.29Å; P457-I460 PolarHBondContact O-N 3.12Å; P457-Q461 PolarHBondContact O-N 3.02Å; P457-Q461 VanDerWaalsContact O-N 3.13Å; P457-F521 HydrophobicContact CB-CZ 4.43Å; P457-T568 VanDerWaalsContact CD-OG1 3.3Å; P457-T568 WeakPolarHBondContact CD-OG1 3.46Å
458	L	87.9	Confident	84.8	Confident	5 Å²	5	35.7 Å²	35.7	3%	0.026	19%	0.192	C	C	.	.	H	α-helix	trans	-57.5	-40.7	-177.6	176.9	54.7	0	0	0	112.8	W408 F413 L448 I460 Q461 L462 F498	W408-L458 HydrophobicContact CH2-CD1 3.6Å; W408-L458 HydrophobicContact CZ3-CD1 4.13Å; F413-L458 HydrophobicContact CD2-CD2 4.39Å; F413-L458 HydrophobicContact CE1-CD2 3.74Å; F413-L458 HydrophobicContact CE2-CD1 3.67Å; F413-L458 HydrophobicContact CE2-CD2 3.61Å; F413-L458 HydrophobicContact CE2-CG 4.27Å; F413-L458 HydrophobicContact CZ-CD1 3.49Å; F413-L458 VanDerWaalsContact CZ-CD1 3.49Å; F413-L458 HydrophobicContact CZ-CD2 3.25Å; F413-L458 HydrophobicContact CZ-CG 3.99Å; L448-L458 VanDerWaalsContact O-CB 3.27Å; L448-L458 WeakPolarHBondContact O-CB 3.44Å; L448-L458 PolarHBondContact O-N 2.85Å; L458-I460 VanDerWaalsContact C-N 3.28Å; L458-I460 PolarHBondContact O-N 2.94Å; L458-Q461 PolarHBondContact O-N 3.39Å; L458-L462 VanDerWaalsContact O-CB 3.3Å; L458-L462 WeakPolarHBondContact O-CB 3.32Å; L458-L462 PolarHBondContact O-N 2.95Å; L458-F498 HydrophobicContact CB-CE1 4.1Å; L458-F498 HydrophobicContact CB-CE2 4.35Å; L458-F498 HydrophobicContact CB-CZ 3.9Å; L458-F498 HydrophobicContact CD2-CB 4.19Å; L458-F498 HydrophobicContact CD2-CD1 3.6Å; L458-F498 HydrophobicContact CD2-CD2 3.84Å; L458-F498 HydrophobicContact CD2-CE1 3.82Å; L458-F498 HydrophobicContact CD2-CE2 4.04Å; L458-F498 HydrophobicContact CD2-CG 3.61Å; L458-F498 HydrophobicContact CD2-CZ 4.03Å; L458-F498 HydrophobicContact CG-CD1 3.89Å; L458-F498 HydrophobicContact CG-CE1 3.65Å; L458-F498 HydrophobicContact CG-CE2 4.43Å; L458-F498 HydrophobicContact CG-CG 4.37Å; L458-F498 HydrophobicContact CG-CZ 3.94Å
459	I	90.8	Very high	85	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-59	-37.6	176.5	-175.7	171.6	0	0	0	112.6	V439 F440 P457 C463 L494 F498 F521	V439-I459 HydrophobicContact CG1-CB 4.15Å; V439-I459 HydrophobicContact CG1-CD1 3.96Å; V439-I459 HydrophobicContact CG1-CG2 4.17Å; F440-I459 HydrophobicContact CD2-CD1 4.47Å; F440-I459 HydrophobicContact CE1-CD1 3.94Å; F440-I459 HydrophobicContact CE2-CD1 3.65Å; F440-I459 HydrophobicContact CZ-CD1 3.36Å; P457-I459 VanDerWaalsContact C-N 3.31Å; P457-I459 HydrophobicContact CB-CG2 4.19Å; P457-I459 PolarHBondContact O-N 2.78Å; I459-C463 WeakPolarHBondContact O-CB 3.31Å; I459-C463 PolarHBondContact O-N 3.34Å; I459-C463 PolarHBondContact O-SG 3.36Å; I459-L494 HydrophobicContact CD1-CD1 3.85Å; I459-L494 HydrophobicContact CG1-CD1 4.28Å; I459-F498 HydrophobicContact CB-CE1 4.16Å; I459-F498 HydrophobicContact CB-CZ 3.96Å; I459-F521 HydrophobicContact CD1-CD2 3.93Å; I459-F521 HydrophobicContact CD1-CG 4.46Å; I459-F521 HydrophobicContact CG2-CD2 3.71Å; I459-F521 HydrophobicContact CG2-CE1 4.41Å; I459-F521 HydrophobicContact CG2-CE2 3.55Å; I459-F521 HydrophobicContact CG2-CG 4.19Å; I459-F521 HydrophobicContact CG2-CZ 3.92Å
460	I	92.8	Very high	85.1	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-70.2	-48.9	177	-61.5	176.1	0	0	0	109.5	V456 P457 L458 L462 C463 V464 L518 F521 F522 T568 Y571	V456-I460 HydrophobicContact CG1-CB 4.38Å; V456-I460 HydrophobicContact CG1-CG2 4.28Å; P457-I460 HydrophobicContact CB-CD1 4.19Å; P457-I460 HydrophobicContact CB-CG1 4.28Å; P457-I460 HydrophobicContact CG-CD1 4.11Å; P457-I460 WeakPolarHBondContact O-CB 3.29Å; P457-I460 PolarHBondContact O-N 3.12Å; L458-I460 VanDerWaalsContact C-N 3.28Å; L458-I460 PolarHBondContact O-N 2.94Å; I460-L462 PolarHBondContact O-N 3.4Å; I460-C463 PolarHBondContact O-N 3.21Å; I460-V464 HydrophobicContact CG2-CG2 4.24Å; I460-V464 VanDerWaalsContact O-CB 3.29Å; I460-V464 WeakPolarHBondContact O-CB 3.3Å; I460-V464 VanDerWaalsContact O-CG2 3.31Å; I460-V464 WeakPolarHBondContact O-CG2 3.17Å; I460-V464 PolarHBondContact O-N 3.39Å; I460-L518 HydrophobicContact CB-CD1 4.34Å; I460-L518 HydrophobicContact CG1-CD1 4.03Å; I460-L518 HydrophobicContact CG2-CD1 4.25Å; I460-F521 HydrophobicContact CD1-CD1 4.04Å; I460-F521 HydrophobicContact CD1-CE1 3.72Å; I460-F521 HydrophobicContact CG1-CD1 4.01Å; I460-F521 HydrophobicContact CG1-CE1 4.01Å; I460-F522 HydrophobicContact CD1-CE1 3.59Å; I460-F522 HydrophobicContact CD1-CZ 3.59Å; I460-F522 HydrophobicContact CG1-CE1 4.47Å; I460-F522 HydrophobicContact CG1-CZ 4.09Å; I460-F522 HydrophobicContact CG2-CZ 4.42Å; I460-T568 HydrophobicContact CD1-CG2 3.37Å; I460-Y571 HydrophobicContact CG2-CD1 3.87Å; I460-Y571 HydrophobicContact CG2-CE1 4.14Å
461	Q	91	Very high	85.5	Confident	8 Å²	8	31.1 Å²	31.1	4%	0.037	17%	0.167	C	C	.	.	H	α-helix	trans	-55.9	-40.7	176.3	-63.4	-159.1	34.3	0	0	112.1	W408 D454 V456 P457 L458 K465 Y571	W408-Q461 HydrophobicContact CH2-CB 4.1Å; D454-Q461 PolarHBondContact OD2-NE2 2.95Å; V456-Q461 HydrophobicContact CB-CG 4.42Å; V456-Q461 HydrophobicContact CG1-CG 4.03Å; V456-Q461 PolarHBondContact O-NE2 3.25Å; P457-Q461 PolarHBondContact O-N 3.02Å; P457-Q461 VanDerWaalsContact O-N 3.13Å; L458-Q461 PolarHBondContact O-N 3.39Å; Q461-K465 WeakPolarHBondContact O-CB 3.34Å; Q461-K465 VanDerWaalsContact O-CD 3.27Å; Q461-K465 WeakPolarHBondContact O-CD 3.16Å; Q461-K465 WeakPolarHBondContact O-CG 3.27Å; Q461-K465 PolarHBondContact O-N 3.22Å; Q461-K465 VanDerWaalsContact O-N 3.1Å; Q461-K465 VanDerWaalsContact OE1-NZ 3.09Å; Q461-Y571 HydrophobicContact CG-CE1 4.42Å
462	L	89.9	Confident	86.2	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-67.9	-54.2	179.1	173.1	60.5	0	0	0	111.9	V405 L458 I460 V464 K465 V466 F503 W508	V405-L462 HydrophobicContact CG1-CD1 3.77Å; L458-L462 VanDerWaalsContact O-CB 3.3Å; L458-L462 WeakPolarHBondContact O-CB 3.32Å; L458-L462 PolarHBondContact O-N 2.95Å; I460-L462 PolarHBondContact O-N 3.4Å; L462-V464 VanDerWaalsContact C-N 3.32Å; L462-V464 PolarHBondContact O-N 2.83Å; L462-K465 PolarHBondContact O-N 3.31Å; L462-V466 HydrophobicContact CD1-CG2 4.26Å; L462-V466 WeakPolarHBondContact O-CG2 3.42Å; L462-V466 PolarHBondContact O-N 3.28Å; L462-F503 HydrophobicContact CD1-CD1 4.49Å; L462-F503 HydrophobicContact CD1-CE1 3.56Å; L462-F503 HydrophobicContact CD1-CZ 4.05Å; L462-F503 HydrophobicContact CD2-CE1 3.77Å; L462-F503 HydrophobicContact CD2-CZ 3.96Å; L462-F503 HydrophobicContact CG-CE1 4.26Å; L462-W508 HydrophobicContact CD2-CH2 3.75Å; L462-W508 HydrophobicContact CD2-CZ2 4.33Å; L462-W508 HydrophobicContact CD2-CZ3 4.27Å; L462-W508 HydrophobicContact CG-CH2 4.27Å; L462-W508 HydrophobicContact CG-CZ3 4.29Å
463	C	92.8	Very high	87.1	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.6	-41.8	-179	-67	0	0	0	0	111.5	I459 I460 V466 V467 V514 L518	I459-C463 WeakPolarHBondContact O-CB 3.31Å; I459-C463 PolarHBondContact O-N 3.34Å; I459-C463 PolarHBondContact O-SG 3.36Å; I460-C463 PolarHBondContact O-N 3.21Å; C463-V466 PolarHBondContact O-N 2.85Å; C463-V467 WeakPolarHBondContact O-CG2 3.47Å; C463-V467 PolarHBondContact O-N 2.92Å; C463-V514 HydrophobicContact CB-CG1 3.99Å; C463-L518 HydrophobicContact CB-CB 3.96Å; C463-L518 HydrophobicContact CB-CD1 4.13Å; C463-L518 HydrophobicContact CB-CD2 4.3Å; C463-L518 HydrophobicContact CB-CG 4.35Å
464	V	93.4	Very high	87.9	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.9	-48	174.9	165	0	0	0	0	110.9	I460 L462 V466 V467 E468 L518 Y571 H575	I460-V464 HydrophobicContact CG2-CG2 4.24Å; I460-V464 VanDerWaalsContact O-CB 3.29Å; I460-V464 WeakPolarHBondContact O-CB 3.3Å; I460-V464 VanDerWaalsContact O-CG2 3.31Å; I460-V464 WeakPolarHBondContact O-CG2 3.17Å; I460-V464 PolarHBondContact O-N 3.39Å; L462-V464 VanDerWaalsContact C-N 3.32Å; L462-V464 PolarHBondContact O-N 2.83Å; V464-V466 VanDerWaalsContact C-N 3.29Å; V464-V466 PolarHBondContact O-N 3.22Å; V464-V467 PolarHBondContact O-N 3.1Å; V464-E468 HydrophobicContact CG1-CG 4.3Å; V464-E468 WeakPolarHBondContact O-CB 3.43Å; V464-E468 WeakPolarHBondContact O-CG 3.42Å; V464-E468 PolarHBondContact O-N 2.8Å; V464-L518 HydrophobicContact CG2-CD2 4.07Å; V464-Y571 HydrophobicContact CB-CE1 3.79Å; V464-Y571 HydrophobicContact CG1-CE1 3.79Å; V464-Y571 HydrophobicContact CG2-CD1 4.38Å; V464-Y571 HydrophobicContact CG2-CE1 3.83Å; V464-H575 HydrophobicContact CG1-CB 4.01Å; V464-H575 HydrophobicContact CG2-CB 4.31Å
465	K	90.9	Very high	87.9	Confident	50 Å²	50	21.6 Å²	21.6	22%	0.217	11%	0.113	C	C	.	.	H	α-helix	trans	-62.3	-34.2	179.2	-74.5	165	-163.9	169.6	0	113	V405 W408 Q461 L462 A469	V405-K465 HydrophobicContact CG2-CB 4.47Å; W408-K465 HydrophobicContact CD2-CD 4.45Å; W408-K465 HydrophobicContact CE3-CD 4.31Å; W408-K465 HydrophobicContact CH2-CD 4.36Å; W408-K465 VanDerWaalsContact CH2-NZ 3.34Å; W408-K465 HydrophobicContact CZ3-CD 4.26Å; Q461-K465 WeakPolarHBondContact O-CB 3.34Å; Q461-K465 VanDerWaalsContact O-CD 3.27Å; Q461-K465 WeakPolarHBondContact O-CD 3.16Å; Q461-K465 WeakPolarHBondContact O-CG 3.27Å; Q461-K465 PolarHBondContact O-N 3.22Å; Q461-K465 VanDerWaalsContact O-N 3.1Å; Q461-K465 VanDerWaalsContact OE1-NZ 3.09Å; L462-K465 PolarHBondContact O-N 3.31Å; K465-A469 WeakPolarHBondContact O-CB 3.45Å; K465-A469 PolarHBondContact O-N 3.12Å
466	V	90.3	Very high	87.4	Confident	1 Å²	1	19.2 Å²	19.2	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-74.3	-40.5	175.5	176.5	0	0	0	0	111.6	L462 C463 V464 E468 A469 Y470 W508 V514	L462-V466 HydrophobicContact CD1-CG2 4.26Å; L462-V466 WeakPolarHBondContact O-CG2 3.42Å; L462-V466 PolarHBondContact O-N 3.28Å; C463-V466 PolarHBondContact O-N 2.85Å; V464-V466 VanDerWaalsContact C-N 3.29Å; V464-V466 PolarHBondContact O-N 3.22Å; V466-E468 VanDerWaalsContact C-N 3.34Å; V466-E468 PolarHBondContact O-N 3.4Å; V466-A469 PolarHBondContact O-N 3.28Å; V466-Y470 HydrophobicContact CG1-CD2 4.05Å; V466-Y470 WeakPolarHBondContact O-CD2 3.37Å; V466-Y470 PolarHBondContact O-N 3.41Å; V466-Y470 VanDerWaalsContact O-N 3.17Å; V466-W508 WeakPolarHBondContact CG1-O 3.45Å; V466-W508 HydrophobicContact CG2-CE3 4.44Å; V466-V514 HydrophobicContact CB-CG1 4.15Å; V466-V514 HydrophobicContact CG1-CB 4.44Å; V466-V514 HydrophobicContact CG1-CG1 4.09Å; V466-V514 HydrophobicContact CG1-CG2 4.01Å
467	V	91.9	Very high	87.1	Confident	1 Å²	1	18.7 Å²	18.7	1%	0.006	10%	0.1	C	C	.	.	H	α-helix	trans	-66.9	-34.5	174	174.8	0	0	0	0	111.6	C463 V464 A469 G471 L472 V477 Y478 V514	C463-V467 WeakPolarHBondContact O-CG2 3.47Å; C463-V467 PolarHBondContact O-N 2.92Å; V464-V467 PolarHBondContact O-N 3.1Å; V467-A469 VanDerWaalsContact C-N 3.35Å; V467-G471 CarbonylContact O-C 3.58Å; V467-G471 WeakPolarHBondContact O-CA 3.46Å; V467-G471 PolarHBondContact O-N 3.05Å; V467-L472 PolarHBondContact O-N 3.35Å; V467-V477 HydrophobicContact CG1-CG1 3.85Å; V467-Y478 HydrophobicContact CG1-CE2 4.15Å; V467-V514 HydrophobicContact CG2-CB 4.49Å; V467-V514 HydrophobicContact CG2-CG1 4.06Å
468	E	90.9	Very high	87.1	Confident	42 Å²	42	18.6 Å²	18.6	20%	0.196	10%	0.1	C	C	.	.	H	α-helix	trans	-72.6	-27.1	173.6	-69.6	-172	174.6	0	0	113.5	V464 V466 L472 H575 R578	V464-E468 HydrophobicContact CG1-CG 4.3Å; V464-E468 WeakPolarHBondContact O-CB 3.43Å; V464-E468 WeakPolarHBondContact O-CG 3.42Å; V464-E468 PolarHBondContact O-N 2.8Å; V466-E468 VanDerWaalsContact C-N 3.34Å; V466-E468 PolarHBondContact O-N 3.4Å; E468-L472 HydrophobicContact CB-CD1 4.46Å; E468-L472 HydrophobicContact CG-CD2 4.45Å; E468-L472 WeakPolarHBondContact O-CD1 3.44Å; E468-H575 VanDerWaalsContact CG-CE1 3.46Å; E468-H575 WeakPolarHBondContact CG-CE1 3.31Å; E468-H575 VanDerWaalsContact CG-ND1 3.32Å; E468-H575 WeakPolarHBondContact CG-ND1 3.45Å; E468-H575 IonicContact OE1-CE1 2.75Å; E468-H575 IonicContact OE1-CG 3.37Å; E468-H575 IonicContact OE1-ND1 2.76Å; E468-H575 PolarHBondContact OE1-ND1 2.94Å; E468-R578 IonicContact OE1-CZ 3.45Å; E468-R578 VanDerWaalsContact OE1-CZ 3.29Å; E468-R578 IonicContact OE1-NE 3.27Å; E468-R578 IonicContact OE1-NH1 3.44Å; E468-R578 PolarHBondContact OE1-NH1 3.42Å; E468-R578 IonicContact OE1-NH2 2.76Å; E468-R578 IonicContact OE2-CZ 3.09Å; E468-R578 IonicContact OE2-NH1 3.87Å; E468-R578 PolarHBondContact OE2-NH1 3.26Å; E468-R578 IonicContact OE2-NH2 3.47Å; E468-R578 PolarHBondContact OE2-NH2 2.83Å
469	A	87.3	Confident	87.1	Confident	32 Å²	32	21.1 Å²	21.1	26%	0.264	11%	0.109	S	C	.	.	H	α-helix	trans	-77.6	-30.1	179	0	0	0	0	0	114.2	T401 K465 V466 V467	T401-A469 HydrophobicContact CG2-CB 3.37Å; K465-A469 WeakPolarHBondContact O-CB 3.45Å; K465-A469 PolarHBondContact O-N 3.12Å; V466-A469 PolarHBondContact O-N 3.28Å; V467-A469 VanDerWaalsContact C-N 3.35Å
470	Y	85.4	Confident	86.9	Confident	52 Å²	52	24.1 Å²	24.1	20%	0.204	12%	0.124	C	C	.	.	H	α-helix	trans	-133	-19.2	-170.1	-59.2	-69.5	0	0	0	114.4	S398 L402 V466 T474	S398-Y470 VanDerWaalsContact O-CE1 3.3Å; S398-Y470 WeakPolarHBondContact O-CE1 3.47Å; S398-Y470 PolarHBondContact O-OH 3.35Å; L402-Y470 WeakPolarHBondContact CB-OH 3.36Å; L402-Y470 HydrophobicContact CD1-CE2 4.35Å; L402-Y470 HydrophobicContact CG-CE2 3.96Å; L402-Y470 VanDerWaalsContact CG-OH 3.3Å; L402-Y470 WeakPolarHBondContact CG-OH 3.37Å; L402-Y470 PolarHBondContact N-OH 3.42Å; V466-Y470 HydrophobicContact CG1-CD2 4.05Å; V466-Y470 WeakPolarHBondContact O-CD2 3.37Å; V466-Y470 PolarHBondContact O-N 3.41Å; V466-Y470 VanDerWaalsContact O-N 3.17Å; Y470-T474 PolarHBondContact O-OG1 3.15Å
471	G	81.6	Confident	86.8	Confident	2 Å²	2	28.9 Å²	28.9	2%	0.021	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-11.8	-167.9	0	0	0	0	0	116.2	V467 D473 T474 V477	V467-G471 CarbonylContact O-C 3.58Å; V467-G471 WeakPolarHBondContact O-CA 3.46Å; V467-G471 PolarHBondContact O-N 3.05Å; G471-D473 PolarHBondContact O-N 2.83Å; G471-D473 VanDerWaalsContact O-N 3.15Å; G471-T474 PolarHBondContact O-N 3.31Å; G471-V477 WeakPolarHBondContact O-CG2 3.48Å
472	L	83	Confident	86.7	Confident	20 Å²	20	28.8 Å²	28.8	11%	0.105	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-26	-176.4	-67.8	178.6	0	0	0	113.7	V467 E468 V579 H582 N586	V467-L472 PolarHBondContact O-N 3.35Å; E468-L472 HydrophobicContact CB-CD1 4.46Å; E468-L472 HydrophobicContact CG-CD2 4.45Å; E468-L472 WeakPolarHBondContact O-CD1 3.44Å; L472-V579 HydrophobicContact CD2-CG2 4.12Å; L472-H582 HydrophobicContact CB-CB 4.38Å; L472-H582 WeakPolarHBondContact O-CB 3.27Å; L472-N586 PolarHBondContact O-ND2 3.35Å; L472-N586 PolarHBondContact O-OD1 2.87Å
473	D	78.7	Confident	86.8	Confident	96 Å²	96	33.7 Å²	33.7	51%	0.513	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	8.6	176.6	-52.9	-51.8	0	0	0	113.1	G471 I585	G471-D473 PolarHBondContact O-N 2.83Å; G471-D473 VanDerWaalsContact O-N 3.15Å; D473-I585 WeakPolarHBondContact OD1-CG2 3.34Å
474	T	80.5	Confident	86.7	Confident	43 Å²	43	38.2 Å²	38.2	26%	0.264	21%	0.21	S	C	.	.	S	Bend	trans	-84.4	118	179.6	-69.6	0	0	0	0	110.7	Y470 G471 G476 V477 V511 N586	Y470-T474 PolarHBondContact O-OG1 3.15Å; G471-T474 PolarHBondContact O-N 3.31Å; T474-G476 PolarHBondContact O-N 3.49Å; T474-V477 HydrophobicContact CG2-CG2 3.79Å; T474-V477 VanDerWaalsContact O-CG2 3.3Å; T474-V477 WeakPolarHBondContact O-CG2 3.33Å; T474-V477 PolarHBondContact O-N 2.93Å; T474-V511 HydrophobicContact CG2-CG1 4.46Å; T474-N586 VanDerWaalsContact C-OD1 3.29Å; T474-N586 PolarHBondContact N-OD1 3.48Å; T474-N586 PolarHBondContact O-OD1 3.04Å; T474-N586 VanDerWaalsContact O-OD1 3.11Å
475	V	77.7	Confident	86.6	Confident	33 Å²	33	41 Å²	41	20%	0.2	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	111.3	-175.9	-178.3	0	0	0	0	112.1	I480 L589 F606	V475-I480 VanDerWaalsContact O-CD1 3.31Å; V475-I480 WeakPolarHBondContact O-CD1 3.44Å; V475-L589 HydrophobicContact CB-CD1 4.48Å; V475-L589 HydrophobicContact CG1-CD1 4.27Å; V475-L589 HydrophobicContact CG2-CD1 4.17Å; V475-F606 HydrophobicContact CG1-CD1 3.76Å; V475-F606 HydrophobicContact CG1-CE1 3.64Å
476	G	77.1	Confident	86.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	29.1	172.8	0	0	0	0	0	115.8	T474 R479 I480	T474-G476 PolarHBondContact O-N 3.49Å; G476-R479 WeakPolarHBondContact O-CB 3.36Å; G476-R479 PolarHBondContact O-N 2.91Å; G476-R479 VanDerWaalsContact O-N 3.16Å; G476-I480 PolarHBondContact O-N 3.06Å
477	V	84.9	Confident	86.8	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.018	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.3	147.4	165.8	-177.8	0	0	0	0	111.2	V467 G471 T474 R479 V511 M608	V467-V477 HydrophobicContact CG1-CG1 3.85Å; G471-V477 WeakPolarHBondContact O-CG2 3.48Å; T474-V477 HydrophobicContact CG2-CG2 3.79Å; T474-V477 VanDerWaalsContact O-CG2 3.3Å; T474-V477 WeakPolarHBondContact O-CG2 3.33Å; T474-V477 PolarHBondContact O-N 2.93Å; V477-R479 PolarHBondContact O-N 2.82Å; V477-V511 HydrophobicContact CB-CG1 4.39Å; V477-V511 HydrophobicContact CG1-CG1 3.91Å; V477-V511 HydrophobicContact CG2-CG1 3.53Å; V477-M608 WeakPolarHBondContact O-CE 3.42Å
478	Y	91.4	Very high	86.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	-28.7	-172.5	-60	-67.5	0	0	0	115.6	V467 L518 K519 H575 L576 V579 L613 M616 F617	V467-Y478 HydrophobicContact CG1-CE2 4.15Å; Y478-L518 HydrophobicContact CE1-CD2 4.06Å; Y478-L518 WeakPolarHBondContact OH-CD2 3.42Å; Y478-K519 HydrophobicContact CD1-CD 4.28Å; Y478-K519 HydrophobicContact CD1-CG 4.2Å; Y478-K519 PolarHBondContact O-NZ 3.09Å; Y478-H575 AromaticContact CE2-NE2 3.61Å; Y478-H575 AromaticContact CZ-NE2 3.67Å; Y478-H575 PolarHBondContact OH-CD2 3.02Å; Y478-H575 PolarHBondContact OH-NE2 3.1Å; Y478-L576 HydrophobicContact CD2-CD2 4.13Å; Y478-L576 HydrophobicContact CE2-CD2 3.91Å; Y478-V579 HydrophobicContact CE2-CG2 4.45Å; Y478-L613 HydrophobicContact CD2-CD2 3.8Å; Y478-L613 HydrophobicContact CG-CD2 4.26Å; Y478-M616 WeakPolarHBondContact O-CE 3.32Å; Y478-F617 AromaticContact CD1-CE2 3.65Å; Y478-F617 HydrophobicContact CD1-CE2 3.65Å; Y478-F617 AromaticContact CD1-CZ 3.56Å; Y478-F617 HydrophobicContact CD1-CZ 3.56Å; Y478-F617 HydrophobicContact CD2-CE2 4.11Å; Y478-F617 HydrophobicContact CE1-CE2 4.17Å; Y478-F617 AromaticContact CE1-CZ 3.71Å; Y478-F617 HydrophobicContact CE1-CZ 3.71Å; Y478-F617 AromaticContact CG-CE2 3.65Å; Y478-F617 HydrophobicContact CG-CE2 3.65Å; Y478-F617 HydrophobicContact CG-CZ 4.06Å
479	R	87.6	Confident	86.8	Confident	58 Å²	58	45 Å²	45	22%	0.219	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-47.4	173.5	-176.5	-169.3	65.4	160.1	3.2	111.6	G476 V477 L605 F606 M616	G476-R479 WeakPolarHBondContact O-CB 3.36Å; G476-R479 PolarHBondContact O-N 2.91Å; G476-R479 VanDerWaalsContact O-N 3.16Å; V477-R479 PolarHBondContact O-N 2.82Å; R479-L605 PolarHBondContact NH1-O 3.23Å; R479-F606 VanDerWaalsContact NH1-CG 3.34Å; R479-F606 VanDerWaalsContact NH2-CZ 3.29Å; R479-M616 HydrophobicContact CB-CG 4.38Å; R479-M616 HydrophobicContact CG-SD 4.45Å
480	I	86.9	Confident	86.9	Confident	65 Å²	65	43.5 Å²	43.5	33%	0.333	25%	0.25	S	S	.	.	S	Bend	trans	-73.3	130.8	175.9	-61.4	174.7	0	0	0	109.2	V475 G476 N512	V475-I480 VanDerWaalsContact O-CD1 3.31Å; V475-I480 WeakPolarHBondContact O-CD1 3.44Å; G476-I480 PolarHBondContact O-N 3.06Å; I480-N512 WeakPolarHBondContact CB-OD1 3.02Å; I480-N512 HydrophobicContact CG2-CB 4.35Å; I480-N512 WeakPolarHBondContact CG2-OD1 3.46Å
481	P	89.6	Confident	87.1	Confident	100 Å²	100	41.4 Å²	41.4	65%	0.649	24%	0.243	S	C	*	.	P	Polyproline II helix	trans	-83.3	123.2	172.2	31.7	-31.4	0	0	0	110.8
482	G	89.4	Confident	87.5	Confident	6 Å²	6	43.6 Å²	43.6	6%	0.062	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-66.8	164	167.3	0	0	0	0	0	113.5	T484 N512 S516	G482-T484 PolarHBondContact O-N 3.4Å; G482-T484 VanDerWaalsContact O-N 3.11Å; G482-N512 VanDerWaalsContact CA-O 3.27Å; G482-N512 WeakPolarHBondContact CA-O 3.48Å; G482-N512 PolarHBondContact N-O 3.05Å; G482-N512 VanDerWaalsContact N-O 3.09Å; G482-S516 PolarHBondContact N-OG 2.62Å; G482-S516 VanDerWaalsContact N-OG 3.09Å
483	N	91.2	Very high	87.7	Confident	103 Å²	103	44 Å²	44	55%	0.551	27%	0.266	S	S	*	.			trans	-55.9	112.6	-178	177.5	-4.5	0	0	0	112.3	A485 A486 V487 V513	N483-A485 PolarHBondContact O-N 3.01Å; N483-A485 VanDerWaalsContact O-N 3.13Å; N483-A485 WeakPolarHBondContact OD1-CB 3.47Å; N483-A485 PolarHBondContact OD1-N 3.13Å; N483-A486 HydrophobicContact CB-CB 4.22Å; N483-A486 WeakPolarHBondContact O-CB 3.41Å; N483-A486 PolarHBondContact O-N 3.32Å; N483-V487 WeakPolarHBondContact O-CG2 3.36Å; N483-V487 PolarHBondContact O-N 3.08Å; N483-V513 HydrophobicContact CB-CG2 4.3Å
484	T	92	Very high	88.1	Confident	95 Å²	95	39.5 Å²	39.5	58%	0.583	24%	0.241	S	C	*	.	H	α-helix	trans	-52.9	-35.8	-178.2	-44	0	0	0	0	113.5	G482 V487 N488	G482-T484 PolarHBondContact O-N 3.4Å; G482-T484 VanDerWaalsContact O-N 3.11Å; T484-V487 PolarHBondContact O-N 3.01Å; T484-N488 WeakPolarHBondContact O-CB 3.47Å; T484-N488 PolarHBondContact O-N 3.32Å; T484-N488 PolarHBondContact O-OD1 3.1Å
485	A	91.5	Very high	88.4	Confident	60 Å²	60	39.5 Å²	39.5	50%	0.496	24%	0.24	S	C	.	.	H	α-helix	trans	-67.5	-38.8	178	0	0	0	0	0	112.1	N483 T489	N483-A485 PolarHBondContact O-N 3.01Å; N483-A485 VanDerWaalsContact O-N 3.13Å; N483-A485 WeakPolarHBondContact OD1-CB 3.47Å; N483-A485 PolarHBondContact OD1-N 3.13Å; A485-T489 PolarHBondContact O-N 2.82Å; A485-T489 PolarHBondContact O-OG1 2.91Å
486	A	91.5	Very high	88.7	Confident	11 Å²	11	43.4 Å²	43.4	9%	0.091	26%	0.256	C	S	.	.	H	α-helix	trans	-70.1	-41.5	175.6	0	0	0	0	0	111.5	N483 N488 T489 L490 R507 V513	N483-A486 HydrophobicContact CB-CB 4.22Å; N483-A486 WeakPolarHBondContact O-CB 3.41Å; N483-A486 PolarHBondContact O-N 3.32Å; A486-N488 VanDerWaalsContact C-N 3.35Å; A486-N488 PolarHBondContact O-N 3.31Å; A486-T489 PolarHBondContact O-N 3.02Å; A486-L490 PolarHBondContact O-N 3.07Å; A486-R507 HydrophobicContact CB-CG 3.97Å; A486-V513 HydrophobicContact CB-CG1 4.02Å; A486-V513 HydrophobicContact CB-CG2 3.8Å
487	V	91.8	Very high	88.7	Confident	9 Å²	9	44 Å²	44	6%	0.055	26%	0.262	C	S	.	.	H	α-helix	trans	-59.1	-45.5	173.6	178.5	0	0	0	0	110.9	N483 T484 L490 S491 V513 L517	N483-V487 WeakPolarHBondContact O-CG2 3.36Å; N483-V487 PolarHBondContact O-N 3.08Å; T484-V487 PolarHBondContact O-N 3.01Å; V487-L490 PolarHBondContact O-N 3.3Å; V487-S491 WeakPolarHBondContact O-CB 3.23Å; V487-S491 PolarHBondContact O-N 2.76Å; V487-S491 PolarHBondContact O-OG 3.48Å; V487-V513 HydrophobicContact CG2-CB 4.34Å; V487-V513 HydrophobicContact CG2-CG1 3.94Å; V487-V513 HydrophobicContact CG2-CG2 4.43Å; V487-L517 HydrophobicContact CG1-CB 4.4Å; V487-L517 HydrophobicContact CG1-CD1 4.06Å
488	N	92.1	Very high	88.4	Confident	99 Å²	99	45.2 Å²	45.2	53%	0.529	27%	0.267	S	S	.	.	H	α-helix	trans	-65.6	-38.1	178.5	-71.8	-0.2	0	0	0	112.1	T484 A486 S491 A492	T484-N488 WeakPolarHBondContact O-CB 3.47Å; T484-N488 PolarHBondContact O-N 3.32Å; T484-N488 PolarHBondContact O-OD1 3.1Å; A486-N488 VanDerWaalsContact C-N 3.35Å; A486-N488 PolarHBondContact O-N 3.31Å; N488-S491 WeakPolarHBondContact O-CB 3.3Å; N488-S491 PolarHBondContact O-N 3.26Å; N488-A492 PolarHBondContact O-N 3.3Å
489	T	90.7	Very high	87.2	Confident	57 Å²	57	50.9 Å²	50.9	35%	0.35	29%	0.293	S	S	.	.	H	α-helix	trans	-70.8	-42.7	177.3	-36.4	0	0	0	0	111.8	A485 A486 S491 A492 S493	A485-T489 PolarHBondContact O-N 2.82Å; A485-T489 PolarHBondContact O-OG1 2.91Å; A486-T489 PolarHBondContact O-N 3.02Å; T489-S491 PolarHBondContact O-N 3.46Å; T489-A492 PolarHBondContact O-N 3.45Å; T489-S493 PolarHBondContact O-N 3.23Å; T489-S493 PolarHBondContact O-OG 3.01Å
490	L	90.6	Very high	86.1	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-63.2	-33	173.6	-71.1	-173.6	0	0	0	112.1	A486 V487 L494 R507 W508 V513 L517	A486-L490 PolarHBondContact O-N 3.07Å; V487-L490 PolarHBondContact O-N 3.3Å; L490-L494 WeakPolarHBondContact O-CD1 3.45Å; L490-L494 WeakPolarHBondContact O-CG 3.43Å; L490-L494 PolarHBondContact O-N 3.24Å; L490-L494 VanDerWaalsContact O-N 3.1Å; L490-R507 HydrophobicContact CD1-CB 3.99Å; L490-R507 HydrophobicContact CD2-CB 4.11Å; L490-R507 HydrophobicContact CG-CB 4.07Å; L490-W508 HydrophobicContact CD1-CD2 4.24Å; L490-W508 HydrophobicContact CD1-CE3 4.47Å; L490-W508 HydrophobicContact CD1-CZ2 4.48Å; L490-W508 HydrophobicContact CD2-CZ2 4.23Å; L490-V513 HydrophobicContact CD1-CG1 3.76Å; L490-L517 HydrophobicContact CB-CD1 4.24Å; L490-L517 HydrophobicContact CB-CD2 4.01Å; L490-L517 HydrophobicContact CD1-CD2 4.25Å
491	S	90.1	Very high	85.5	Confident	7 Å²	7	52.1 Å²	52.1	5%	0.049	30%	0.299	C	S	.	.	H	α-helix	trans	-61.7	-51.9	171.7	-54.4	0	0	0	0	110.7	V487 N488 T489 S493 L494 D495 L517	V487-S491 WeakPolarHBondContact O-CB 3.23Å; V487-S491 PolarHBondContact O-N 2.76Å; V487-S491 PolarHBondContact O-OG 3.48Å; N488-S491 WeakPolarHBondContact O-CB 3.3Å; N488-S491 PolarHBondContact O-N 3.26Å; T489-S491 PolarHBondContact O-N 3.46Å; S491-S493 VanDerWaalsContact C-N 3.33Å; S491-S493 PolarHBondContact O-N 2.88Å; S491-L494 WeakPolarHBondContact O-CB 3.36Å; S491-L494 PolarHBondContact O-N 3.48Å; S491-D495 PolarHBondContact O-N 3.03Å; S491-L517 VanDerWaalsContact OG-CD1 3.3Å; S491-L517 WeakPolarHBondContact OG-CD1 3.45Å
492	A	88.4	Confident	84.7	Confident	48 Å²	48	54.2 Å²	54.2	40%	0.397	30%	0.3	S	S	.	.	H	α-helix	trans	-62.6	-34.8	180	0	0	0	0	0	113.5	N488 T489 L494 Q496	N488-A492 PolarHBondContact O-N 3.3Å; T489-A492 PolarHBondContact O-N 3.45Å; A492-L494 VanDerWaalsContact C-N 3.33Å; A492-Q496 VanDerWaalsContact O-CG 3.29Å; A492-Q496 WeakPolarHBondContact O-CG 3.44Å; A492-Q496 PolarHBondContact O-N 3.03Å
493	S	87.2	Confident	84.1	Confident	30 Å²	30	54.9 Å²	54.9	21%	0.21	30%	0.301	C	S	.	.	H	α-helix	trans	-72.7	-22.5	173.3	-63.9	0	0	0	0	113.6	T489 S491	T489-S493 PolarHBondContact O-N 3.23Å; T489-S493 PolarHBondContact O-OG 3.01Å; S491-S493 VanDerWaalsContact C-N 3.33Å; S491-S493 PolarHBondContact O-N 2.88Å
494	L	88.1	Confident	83.2	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-81.8	-40.5	171	-76.4	161.5	0	0	0	111.2	V439 F440 I459 L490 S491 A492 Q496 G497 F498 V501 W508 L517	V439-L494 WeakPolarHBondContact CG2-O 3.37Å; F440-L494 HydrophobicContact CE2-CB 4.11Å; F440-L494 HydrophobicContact CE2-CD1 4.11Å; F440-L494 HydrophobicContact CZ-CD1 4.46Å; I459-L494 HydrophobicContact CD1-CD1 3.85Å; I459-L494 HydrophobicContact CG1-CD1 4.28Å; L490-L494 WeakPolarHBondContact O-CD1 3.45Å; L490-L494 WeakPolarHBondContact O-CG 3.43Å; L490-L494 PolarHBondContact O-N 3.24Å; L490-L494 VanDerWaalsContact O-N 3.1Å; S491-L494 WeakPolarHBondContact O-CB 3.36Å; S491-L494 PolarHBondContact O-N 3.48Å; A492-L494 VanDerWaalsContact C-N 3.33Å; L494-Q496 PolarHBondContact O-N 3.4Å; L494-Q496 VanDerWaalsContact O-N 3.13Å; L494-G497 PolarHBondContact O-N 2.98Å; L494-F498 HydrophobicContact CD2-CD1 3.78Å; L494-F498 HydrophobicContact CD2-CE1 3.65Å; L494-F498 HydrophobicContact CD2-CZ 4.43Å; L494-V501 HydrophobicContact CD2-CG2 3.67Å; L494-V501 HydrophobicContact CG-CG2 4.31Å; L494-W508 HydrophobicContact CD1-CH2 4.27Å; L494-L517 HydrophobicContact CD1-CD2 3.89Å
495	D	87.3	Confident	82.7	Confident	44 Å²	44	51.2 Å²	51.2	24%	0.235	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-3.5	173.9	-69.4	-42.9	0	0	0	113.7	S437 V439 F440 S491	S437-D495 CarbonylContact O-C 3.55Å; V439-D495 PolarHBondContact N-OD1 3.21Å; F440-D495 WeakPolarHBondContact CD2-OD1 3.35Å; F440-D495 WeakPolarHBondContact CD2-OD2 3.32Å; F440-D495 PolarHBondContact N-OD1 2.88Å; S491-D495 PolarHBondContact O-N 3.03Å
496	Q	82.9	Confident	82.3	Confident	114 Å²	114	54.9 Å²	54.9	53%	0.533	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-15.2	167.8	-77.4	167.6	-2.8	0	0	113	S437 A492 L494 F500	S437-Q496 PolarHBondContact OG-O 2.78Å; A492-Q496 VanDerWaalsContact O-CG 3.29Å; A492-Q496 WeakPolarHBondContact O-CG 3.44Å; A492-Q496 PolarHBondContact O-N 3.03Å; L494-Q496 PolarHBondContact O-N 3.4Å; L494-Q496 VanDerWaalsContact O-N 3.13Å; Q496-F500 HydrophobicContact CB-CD2 4.39Å; Q496-F500 VanDerWaalsContact O-CD2 3.28Å; Q496-F500 WeakPolarHBondContact O-CD2 3.24Å; Q496-F500 WeakPolarHBondContact O-CE2 3.47Å
497	G	77.2	Confident	82	Confident	12 Å²	12	58.1 Å²	58.1	12%	0.124	30%	0.298	C	S	.	.			trans	116.4	143.2	-177.3	0	0	0	0	0	112.8	S437 L494 E499 F500	S437-G497 PolarHBondContact OG-N 3.18Å; L494-G497 PolarHBondContact O-N 2.98Å; G497-E499 PolarHBondContact O-N 3.26Å; G497-E499 VanDerWaalsContact O-N 3.12Å; G497-F500 PolarHBondContact O-N 3.16Å; G497-F500 VanDerWaalsContact O-N 3.13Å
498	F	79	Confident	81.7	Confident	29 Å²	29	57.9 Å²	57.9	13%	0.127	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-62.1	-22.2	-174.8	-72.2	-87.9	0	0	0	114.7	V439 L448 L458 I459 L494 F500 V501	V439-F498 HydrophobicContact CG1-CE2 4.07Å; V439-F498 HydrophobicContact CG1-CZ 3.8Å; V439-F498 HydrophobicContact CG2-CD2 4.21Å; V439-F498 HydrophobicContact CG2-CE2 3.61Å; V439-F498 HydrophobicContact CG2-CZ 4.12Å; L448-F498 HydrophobicContact CB-CE2 4.22Å; L448-F498 HydrophobicContact CD1-CD2 3.84Å; L448-F498 HydrophobicContact CD1-CE2 4.01Å; L458-F498 HydrophobicContact CB-CE1 4.1Å; L458-F498 HydrophobicContact CB-CE2 4.35Å; L458-F498 HydrophobicContact CB-CZ 3.9Å; L458-F498 HydrophobicContact CD2-CB 4.19Å; L458-F498 HydrophobicContact CD2-CD1 3.6Å; L458-F498 HydrophobicContact CD2-CD2 3.84Å; L458-F498 HydrophobicContact CD2-CE1 3.82Å; L458-F498 HydrophobicContact CD2-CE2 4.04Å; L458-F498 HydrophobicContact CD2-CG 3.61Å; L458-F498 HydrophobicContact CD2-CZ 4.03Å; L458-F498 HydrophobicContact CG-CD1 3.89Å; L458-F498 HydrophobicContact CG-CE1 3.65Å; L458-F498 HydrophobicContact CG-CE2 4.43Å; L458-F498 HydrophobicContact CG-CG 4.37Å; L458-F498 HydrophobicContact CG-CZ 3.94Å; I459-F498 HydrophobicContact CB-CE1 4.16Å; I459-F498 HydrophobicContact CB-CZ 3.96Å; L494-F498 HydrophobicContact CD2-CD1 3.78Å; L494-F498 HydrophobicContact CD2-CE1 3.65Å; L494-F498 HydrophobicContact CD2-CZ 4.43Å; F498-F500 VanDerWaalsContact C-N 3.27Å; F498-F500 PolarHBondContact O-N 3.44Å; F498-V501 WeakPolarHBondContact O-CG2 3.35Å; F498-V501 PolarHBondContact O-N 2.86Å
499	E	66.3	Low	81.3	Confident	120 Å²	120	59.4 Å²	59.4	56%	0.561	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-67.3	-26.6	177.7	-60.3	-166.5	150.8	0	0	112.7	A415 A416 G497 V501	A415-E499 WeakPolarHBondContact CA-OE1 3.38Å; A416-E499 PolarHBondContact N-OE1 2.94Å; G497-E499 PolarHBondContact O-N 3.26Å; G497-E499 VanDerWaalsContact O-N 3.12Å; E499-V501 VanDerWaalsContact C-N 3.35Å
500	F	64.7	Low	81.2	Confident	135 Å²	135	59.4 Å²	59.4	59%	0.592	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-88.6	4.3	-179.6	-55.6	-73.2	0	0	0	114	Q496 G497 F498 E502	Q496-F500 HydrophobicContact CB-CD2 4.39Å; Q496-F500 VanDerWaalsContact O-CD2 3.28Å; Q496-F500 WeakPolarHBondContact O-CD2 3.24Å; Q496-F500 WeakPolarHBondContact O-CE2 3.47Å; G497-F500 PolarHBondContact O-N 3.16Å; G497-F500 VanDerWaalsContact O-N 3.13Å; F498-F500 VanDerWaalsContact C-N 3.27Å; F498-F500 PolarHBondContact O-N 3.44Å; F500-E502 PolarHBondContact O-N 3.08Å; F500-E502 VanDerWaalsContact O-N 3.12Å
501	V	73.8	Confident	81.2	Confident	13 Å²	13	59.8 Å²	59.8	8%	0.079	30%	0.295	C	S	.	.			trans	-77.9	101.7	-175	-178.8	0	0	0	0	111.3	L494 F498 E499 F503 W508	L494-V501 HydrophobicContact CD2-CG2 3.67Å; L494-V501 HydrophobicContact CG-CG2 4.31Å; F498-V501 WeakPolarHBondContact O-CG2 3.35Å; F498-V501 PolarHBondContact O-N 2.86Å; E499-V501 VanDerWaalsContact C-N 3.35Å; V501-F503 HydrophobicContact CB-CE1 4.4Å; V501-F503 HydrophobicContact CB-CE2 4.09Å; V501-F503 HydrophobicContact CB-CZ 3.92Å; V501-F503 HydrophobicContact CG1-CD1 3.99Å; V501-F503 HydrophobicContact CG1-CD2 4.44Å; V501-F503 HydrophobicContact CG1-CE1 3.48Å; V501-F503 VanDerWaalsContact CG1-CE1 3.48Å; V501-F503 HydrophobicContact CG1-CE2 4.01Å; V501-F503 HydrophobicContact CG1-CG 4.43Å; V501-F503 HydrophobicContact CG1-CZ 3.5Å; V501-F503 VanDerWaalsContact CG1-CZ 3.5Å; V501-F503 VanDerWaalsContact O-CD2 3.29Å; V501-F503 WeakPolarHBondContact O-CD2 3.36Å; V501-F503 PolarHBondContact O-N 2.79Å; V501-W508 HydrophobicContact CG1-CZ2 3.55Å
502	E	73	Confident	81.3	Confident	144 Å²	144	61 Å²	61	67%	0.673	30%	0.301	S	S	*	.			trans	-68.5	85.5	175	-66.3	-166.4	152.4	0	0	112.4	F500 D504 D505	F500-E502 PolarHBondContact O-N 3.08Å; F500-E502 VanDerWaalsContact O-N 3.12Å; E502-D504 PolarHBondContact O-N 2.83Å; E502-D505 HydrophobicContact CB-CB 4.43Å; E502-D505 WeakPolarHBondContact O-CB 3.4Å; E502-D505 PolarHBondContact O-N 3Å
503	F	76	Confident	81.5	Confident	20 Å²	20	58.8 Å²	58.8	9%	0.088	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-7.8	176.4	-66.8	-64.4	0	0	0	115.7	R406 C409 L462 V501 D505 W508	R406-F503 HydrophobicContact CB-CB 4.49Å; R406-F503 HydrophobicContact CG-CB 4.43Å; R406-F503 HydrophobicContact CG-CD2 4.43Å; C409-F503 HydrophobicContact CB-CE2 4.05Å; L462-F503 HydrophobicContact CD1-CD1 4.49Å; L462-F503 HydrophobicContact CD1-CE1 3.56Å; L462-F503 HydrophobicContact CD1-CZ 4.05Å; L462-F503 HydrophobicContact CD2-CE1 3.77Å; L462-F503 HydrophobicContact CD2-CZ 3.96Å; L462-F503 HydrophobicContact CG-CE1 4.26Å; V501-F503 HydrophobicContact CB-CE1 4.4Å; V501-F503 HydrophobicContact CB-CE2 4.09Å; V501-F503 HydrophobicContact CB-CZ 3.92Å; V501-F503 HydrophobicContact CG1-CD1 3.99Å; V501-F503 HydrophobicContact CG1-CD2 4.44Å; V501-F503 HydrophobicContact CG1-CE1 3.48Å; V501-F503 VanDerWaalsContact CG1-CE1 3.48Å; V501-F503 HydrophobicContact CG1-CE2 4.01Å; V501-F503 HydrophobicContact CG1-CG 4.43Å; V501-F503 HydrophobicContact CG1-CZ 3.5Å; V501-F503 VanDerWaalsContact CG1-CZ 3.5Å; V501-F503 VanDerWaalsContact O-CD2 3.29Å; V501-F503 WeakPolarHBondContact O-CD2 3.36Å; V501-F503 PolarHBondContact O-N 2.79Å; F503-D505 VanDerWaalsContact C-N 3.34Å; F503-W508 HydrophobicContact CE1-CZ2 4.4Å
504	D	73.8	Confident	81.8	Confident	93 Å²	93	57.3 Å²	57.3	50%	0.497	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-13.1	173	-64.6	-34.3	0	0	0	112.6	R406 E502	R406-D504 IonicContact CZ-OD1 2.69Å; R406-D504 IonicContact CZ-OD2 3.64Å; R406-D504 IonicContact NH1-OD1 2.79Å; R406-D504 PolarHBondContact NH1-OD1 3.1Å; R406-D504 IonicContact NH1-OD2 3.1Å; R406-D504 PolarHBondContact NH1-OD2 3.43Å; R406-D504 IonicContact NH2-OD1 2.85Å; R406-D504 IonicContact NH2-OD2 3.86Å; R406-D504 PolarHBondContact NH2-OD2 2.91Å; E502-D504 PolarHBondContact O-N 2.83Å
505	D	80.7	Confident	82.1	Confident	28 Å²	28	57.3 Å²	57.3	15%	0.15	27%	0.272	C	S	.	.	S	Bend	trans	-58.7	132.7	178.6	175.3	7.1	0	0	0	112.4	E502 F503 R507 W508	E502-D505 HydrophobicContact CB-CB 4.43Å; E502-D505 WeakPolarHBondContact O-CB 3.4Å; E502-D505 PolarHBondContact O-N 3Å; F503-D505 VanDerWaalsContact C-N 3.34Å; D505-R507 PolarHBondContact O-N 3.19Å; D505-R507 VanDerWaalsContact O-N 3.17Å; D505-R507 WeakPolarHBondContact OD1-CB 3.4Å; D505-R507 WeakPolarHBondContact OD1-CG 3.48Å; D505-R507 IonicContact OD1-CZ 2.62Å; D505-R507 PolarHBondContact OD1-N 3.07Å; D505-R507 IonicContact OD1-NE 3.08Å; D505-R507 PolarHBondContact OD1-NE 3.01Å; D505-R507 IonicContact OD1-NH2 3.94Å; D505-R507 IonicContact OD2-CZ 2.83Å; D505-R507 IonicContact OD2-NE 2.69Å; D505-R507 PolarHBondContact OD2-NE 3.42Å; D505-R507 IonicContact OD2-NH2 3.53Å; D505-R507 PolarHBondContact OD2-NH2 2.93Å; D505-W508 PolarHBondContact O-N 3.46Å; D505-W508 VanDerWaalsContact O-N 3.15Å
506	I	82.8	Confident	82.4	Confident	138 Å²	138	56.1 Å²	56.1	71%	0.708	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-57.3	-30.5	179.1	-56.1	172.3	0	0	0	111.2	W508 R509	I506-W508 VanDerWaalsContact C-N 3.26Å; I506-W508 PolarHBondContact O-N 2.85Å; I506-R509 WeakPolarHBondContact O-CB 3.45Å; I506-R509 PolarHBondContact O-N 3Å
507	R	85	Confident	82.9	Confident	79 Å²	79	50.7 Å²	50.7	30%	0.298	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-62.5	-28.2	179.7	-64.7	176.7	-68.1	-147.2	-1	113.3	A486 L490 D505 R509 D510	A486-R507 HydrophobicContact CB-CG 3.97Å; L490-R507 HydrophobicContact CD1-CB 3.99Å; L490-R507 HydrophobicContact CD2-CB 4.11Å; L490-R507 HydrophobicContact CG-CB 4.07Å; D505-R507 PolarHBondContact O-N 3.19Å; D505-R507 VanDerWaalsContact O-N 3.17Å; D505-R507 WeakPolarHBondContact OD1-CB 3.4Å; D505-R507 WeakPolarHBondContact OD1-CG 3.48Å; D505-R507 IonicContact OD1-CZ 2.62Å; D505-R507 PolarHBondContact OD1-N 3.07Å; D505-R507 IonicContact OD1-NE 3.08Å; D505-R507 PolarHBondContact OD1-NE 3.01Å; D505-R507 IonicContact OD1-NH2 3.94Å; D505-R507 IonicContact OD2-CZ 2.83Å; D505-R507 IonicContact OD2-NE 2.69Å; D505-R507 PolarHBondContact OD2-NE 3.42Å; D505-R507 IonicContact OD2-NH2 3.53Å; D505-R507 PolarHBondContact OD2-NH2 2.93Å; R507-R509 PolarHBondContact O-N 3.43Å; R507-D510 PolarHBondContact O-N 3.35Å
508	W	86.1	Confident	83.7	Confident	3 Å²	3	50.1 Å²	50.1	1%	0.011	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-71.7	-14.5	173.1	-74.2	110.6	0	0	0	113.7	L462 V466 L490 L494 V501 F503 D505 I506 V514 L517	L462-W508 HydrophobicContact CD2-CH2 3.75Å; L462-W508 HydrophobicContact CD2-CZ2 4.33Å; L462-W508 HydrophobicContact CD2-CZ3 4.27Å; L462-W508 HydrophobicContact CG-CH2 4.27Å; L462-W508 HydrophobicContact CG-CZ3 4.29Å; V466-W508 WeakPolarHBondContact CG1-O 3.45Å; V466-W508 HydrophobicContact CG2-CE3 4.44Å; L490-W508 HydrophobicContact CD1-CD2 4.24Å; L490-W508 HydrophobicContact CD1-CE3 4.47Å; L490-W508 HydrophobicContact CD1-CZ2 4.48Å; L490-W508 HydrophobicContact CD2-CZ2 4.23Å; L494-W508 HydrophobicContact CD1-CH2 4.27Å; V501-W508 HydrophobicContact CG1-CZ2 3.55Å; F503-W508 HydrophobicContact CE1-CZ2 4.4Å; D505-W508 PolarHBondContact O-N 3.46Å; D505-W508 VanDerWaalsContact O-N 3.15Å; I506-W508 VanDerWaalsContact C-N 3.26Å; I506-W508 PolarHBondContact O-N 2.85Å; W508-V514 HydrophobicContact CE3-CG2 3.84Å; W508-V514 HydrophobicContact CZ3-CG1 4.37Å; W508-V514 HydrophobicContact CZ3-CG2 4.29Å; W508-L517 HydrophobicContact CH2-CD2 4.01Å; W508-L517 HydrophobicContact CZ3-CD2 4.25Å
509	R	84.1	Confident	84.4	Confident	131 Å²	131	49.7 Å²	49.7	49%	0.494	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-86.6	-14.2	177	-53.3	-175.1	-173.3	-149.1	1.3	113	L402 I506 R507 V511	L402-R509 HydrophobicContact CD1-CG 3.97Å; I506-R509 WeakPolarHBondContact O-CB 3.45Å; I506-R509 PolarHBondContact O-N 3Å; R507-R509 PolarHBondContact O-N 3.43Å; R509-V511 PolarHBondContact O-N 2.98Å
510	D	88.1	Confident	85.6	Confident	57 Å²	57	44.4 Å²	44.4	31%	0.305	21%	0.211	S	C	.	.			trans	-88.2	101.7	174.3	-175.8	-3.8	0	0	0	110.6	R507 N512 V513 V514	R507-D510 PolarHBondContact O-N 3.35Å; D510-N512 PolarHBondContact O-N 3.26Å; D510-N512 VanDerWaalsContact O-N 3.15Å; D510-N512 VanDerWaalsContact OD1-CB 3.27Å; D510-N512 WeakPolarHBondContact OD1-CB 3.43Å; D510-N512 PolarHBondContact OD1-N 2.79Å; D510-N512 PolarHBondContact OD1-ND2 3.11Å; D510-V513 HydrophobicContact CB-CB 4.08Å; D510-V513 HydrophobicContact CB-CG2 4.04Å; D510-V513 WeakPolarHBondContact O-CB 3.44Å; D510-V513 PolarHBondContact O-N 3.21Å; D510-V513 WeakPolarHBondContact OD2-CG2 3.43Å; D510-V514 PolarHBondContact O-N 3.14Å
511	V	91	Very high	87	Confident	10 Å²	10	38 Å²	38	6%	0.061	18%	0.183	C	C	.	.	H	α-helix	trans	-54.5	-31.4	176.8	179.7	0	0	0	0	112.4	T474 V477 R509 S515	T474-V511 HydrophobicContact CG2-CG1 4.46Å; V477-V511 HydrophobicContact CB-CG1 4.39Å; V477-V511 HydrophobicContact CG1-CG1 3.91Å; V477-V511 HydrophobicContact CG2-CG1 3.53Å; R509-V511 PolarHBondContact O-N 2.98Å; V511-S515 VanDerWaalsContact O-CB 3.23Å; V511-S515 WeakPolarHBondContact O-CB 3.07Å; V511-S515 PolarHBondContact O-N 3Å; V511-S515 PolarHBondContact O-OG 3.29Å
512	N	92.1	Very high	87.9	Confident	32 Å²	32	37.4 Å²	37.4	17%	0.171	18%	0.179	C	C	.	.	H	α-helix	trans	-72.6	-35.6	179.2	-50.7	-78.4	0	0	0	110.9	I480 G482 D510 S515 S516	I480-N512 WeakPolarHBondContact CB-OD1 3.02Å; I480-N512 HydrophobicContact CG2-CB 4.35Å; I480-N512 WeakPolarHBondContact CG2-OD1 3.46Å; G482-N512 VanDerWaalsContact CA-O 3.27Å; G482-N512 WeakPolarHBondContact CA-O 3.48Å; G482-N512 PolarHBondContact N-O 3.05Å; G482-N512 VanDerWaalsContact N-O 3.09Å; D510-N512 PolarHBondContact O-N 3.26Å; D510-N512 VanDerWaalsContact O-N 3.15Å; D510-N512 VanDerWaalsContact OD1-CB 3.27Å; D510-N512 WeakPolarHBondContact OD1-CB 3.43Å; D510-N512 PolarHBondContact OD1-N 2.79Å; D510-N512 PolarHBondContact OD1-ND2 3.11Å; N512-S515 WeakPolarHBondContact CA-OG 3.48Å; N512-S515 PolarHBondContact O-OG 3.45Å; N512-S516 VanDerWaalsContact O-CB 3.26Å; N512-S516 WeakPolarHBondContact O-CB 3.48Å; N512-S516 PolarHBondContact O-N 3.22Å; N512-S516 PolarHBondContact O-OG 3.31Å
513	V	92.9	Very high	88.8	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.012	18%	0.176	C	C	.	.	H	α-helix	trans	-67.8	-48.6	173.6	167.7	0	0	0	0	110	N483 A486 V487 L490 D510 S515 S516 L517	N483-V513 HydrophobicContact CB-CG2 4.3Å; A486-V513 HydrophobicContact CB-CG1 4.02Å; A486-V513 HydrophobicContact CB-CG2 3.8Å; V487-V513 HydrophobicContact CG2-CB 4.34Å; V487-V513 HydrophobicContact CG2-CG1 3.94Å; V487-V513 HydrophobicContact CG2-CG2 4.43Å; L490-V513 HydrophobicContact CD1-CG1 3.76Å; D510-V513 HydrophobicContact CB-CB 4.08Å; D510-V513 HydrophobicContact CB-CG2 4.04Å; D510-V513 WeakPolarHBondContact O-CB 3.44Å; D510-V513 PolarHBondContact O-N 3.21Å; D510-V513 WeakPolarHBondContact OD2-CG2 3.43Å; V513-S515 PolarHBondContact O-N 3.42Å; V513-S516 PolarHBondContact O-N 2.99Å; V513-L517 WeakPolarHBondContact O-CB 3.48Å; V513-L517 PolarHBondContact O-N 2.9Å
514	V	93.4	Very high	89.4	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-66.2	-39.1	-179.4	-178.2	0	0	0	0	112.1	C463 V466 V467 W508 D510 L517 L518	C463-V514 HydrophobicContact CB-CG1 3.99Å; V466-V514 HydrophobicContact CB-CG1 4.15Å; V466-V514 HydrophobicContact CG1-CB 4.44Å; V466-V514 HydrophobicContact CG1-CG1 4.09Å; V466-V514 HydrophobicContact CG1-CG2 4.01Å; V467-V514 HydrophobicContact CG2-CB 4.49Å; V467-V514 HydrophobicContact CG2-CG1 4.06Å; W508-V514 HydrophobicContact CE3-CG2 3.84Å; W508-V514 HydrophobicContact CZ3-CG1 4.37Å; W508-V514 HydrophobicContact CZ3-CG2 4.29Å; D510-V514 PolarHBondContact O-N 3.14Å; V514-L517 WeakPolarHBondContact O-CB 3.4Å; V514-L517 PolarHBondContact O-N 3.42Å; V514-L518 PolarHBondContact O-N 3.38Å
515	S	93.5	Very high	90.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-71.5	-30.6	174.5	60.1	0	0	0	0	113.1	V511 N512 V513 K519	V511-S515 VanDerWaalsContact O-CB 3.23Å; V511-S515 WeakPolarHBondContact O-CB 3.07Å; V511-S515 PolarHBondContact O-N 3Å; V511-S515 PolarHBondContact O-OG 3.29Å; N512-S515 WeakPolarHBondContact CA-OG 3.48Å; N512-S515 PolarHBondContact O-OG 3.45Å; V513-S515 PolarHBondContact O-N 3.42Å; S515-K519 WeakPolarHBondContact O-CE 3.46Å; S515-K519 WeakPolarHBondContact O-CG 3.43Å; S515-K519 PolarHBondContact O-N 3.39Å
516	S	93.6	Very high	90.5	Very high	18 Å²	18	39.5 Å²	39.5	13%	0.126	18%	0.183	C	C	.	.	H	α-helix	trans	-66.9	-38.5	166.5	-85.9	0	0	0	0	112.9	G482 N512 V513 K519 A520	G482-S516 PolarHBondContact N-OG 2.62Å; G482-S516 VanDerWaalsContact N-OG 3.09Å; N512-S516 VanDerWaalsContact O-CB 3.26Å; N512-S516 WeakPolarHBondContact O-CB 3.48Å; N512-S516 PolarHBondContact O-N 3.22Å; N512-S516 PolarHBondContact O-OG 3.31Å; V513-S516 PolarHBondContact O-N 2.99Å; S516-K519 PolarHBondContact O-N 2.78Å; S516-A520 WeakPolarHBondContact O-CB 3.37Å; S516-A520 PolarHBondContact O-N 2.89Å
517	L	94	Very high	90.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.7	-45.6	177.6	-170	68.6	0	0	0	111.3	F440 V487 L490 S491 L494 W508 V513 V514 A520 F521	F440-L517 HydrophobicContact CE2-CD1 4.42Å; F440-L517 HydrophobicContact CZ-CD1 3.68Å; F440-L517 HydrophobicContact CZ-CG 4.18Å; V487-L517 HydrophobicContact CG1-CB 4.4Å; V487-L517 HydrophobicContact CG1-CD1 4.06Å; L490-L517 HydrophobicContact CB-CD1 4.24Å; L490-L517 HydrophobicContact CB-CD2 4.01Å; L490-L517 HydrophobicContact CD1-CD2 4.25Å; S491-L517 VanDerWaalsContact OG-CD1 3.3Å; S491-L517 WeakPolarHBondContact OG-CD1 3.45Å; L494-L517 HydrophobicContact CD1-CD2 3.89Å; W508-L517 HydrophobicContact CH2-CD2 4.01Å; W508-L517 HydrophobicContact CZ3-CD2 4.25Å; V513-L517 WeakPolarHBondContact O-CB 3.48Å; V513-L517 PolarHBondContact O-N 2.9Å; V514-L517 WeakPolarHBondContact O-CB 3.4Å; V514-L517 PolarHBondContact O-N 3.42Å; L517-A520 WeakPolarHBondContact O-CB 3.4Å; L517-A520 PolarHBondContact O-N 2.92Å; L517-A520 VanDerWaalsContact O-N 3.16Å; L517-F521 PolarHBondContact O-N 2.83Å
518	L	94.6	Very high	91.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.4	-42.5	176.1	-175.8	58.6	0	0	0	112.7	I460 C463 V464 Y478 V514 A520 F521 F522 L572	I460-L518 HydrophobicContact CB-CD1 4.34Å; I460-L518 HydrophobicContact CG1-CD1 4.03Å; I460-L518 HydrophobicContact CG2-CD1 4.25Å; C463-L518 HydrophobicContact CB-CB 3.96Å; C463-L518 HydrophobicContact CB-CD1 4.13Å; C463-L518 HydrophobicContact CB-CD2 4.3Å; C463-L518 HydrophobicContact CB-CG 4.35Å; V464-L518 HydrophobicContact CG2-CD2 4.07Å; Y478-L518 HydrophobicContact CE1-CD2 4.06Å; Y478-L518 WeakPolarHBondContact OH-CD2 3.42Å; V514-L518 PolarHBondContact O-N 3.38Å; L518-A520 VanDerWaalsContact C-N 3.3Å; L518-A520 PolarHBondContact O-N 3Å; L518-F521 WeakPolarHBondContact O-CB 3.48Å; L518-F521 PolarHBondContact O-N 2.86Å; L518-F522 HydrophobicContact CD1-CD2 4.35Å; L518-F522 HydrophobicContact CD1-CE2 3.63Å; L518-F522 HydrophobicContact CD1-CZ 4.22Å; L518-F522 HydrophobicContact CG-CD2 4.41Å; L518-F522 HydrophobicContact CG-CE2 3.86Å; L518-F522 VanDerWaalsContact O-CD2 3.27Å; L518-F522 WeakPolarHBondContact O-CD2 3.45Å; L518-F522 PolarHBondContact O-N 3.35Å; L518-L572 HydrophobicContact CD2-CD1 4.49Å
519	K	93.1	Very high	91.5	Very high	21 Å²	21	31.7 Å²	31.7	9%	0.091	15%	0.149	C	C	.	.	H	α-helix	trans	-63.3	-36.8	172.8	-71.3	176.5	-65.3	174.4	0	112	Y478 S515 S516 F521 R523 F617	Y478-K519 HydrophobicContact CD1-CD 4.28Å; Y478-K519 HydrophobicContact CD1-CG 4.2Å; Y478-K519 PolarHBondContact O-NZ 3.09Å; S515-K519 WeakPolarHBondContact O-CE 3.46Å; S515-K519 WeakPolarHBondContact O-CG 3.43Å; S515-K519 PolarHBondContact O-N 3.39Å; S516-K519 PolarHBondContact O-N 2.78Å; K519-F521 VanDerWaalsContact C-N 3.32Å; K519-R523 WeakPolarHBondContact O-CB 3.28Å; K519-R523 PolarHBondContact O-N 3.25Å; K519-F617 HydrophobicContact CG-CE1 4.25Å; K519-F617 HydrophobicContact CG-CZ 4.17Å
520	A	92	Very high	91.9	Very high	8 Å²	8	25.5 Å²	25.5	7%	0.066	13%	0.126	C	C	.	.	H	α-helix	trans	-67.2	-31.9	177.6	0	0	0	0	0	112.4	S516 L517 L518 K524	S516-A520 WeakPolarHBondContact O-CB 3.37Å; S516-A520 PolarHBondContact O-N 2.89Å; L517-A520 WeakPolarHBondContact O-CB 3.4Å; L517-A520 PolarHBondContact O-N 2.92Å; L517-A520 VanDerWaalsContact O-N 3.16Å; L518-A520 VanDerWaalsContact C-N 3.3Å; L518-A520 PolarHBondContact O-N 3Å; A520-K524 WeakPolarHBondContact O-CB 3.34Å; A520-K524 WeakPolarHBondContact O-CG 3.46Å; A520-K524 PolarHBondContact O-N 3.31Å; A520-K524 VanDerWaalsContact O-N 3.09Å
521	F	93.4	Very high	92	Very high	1 Å²	1	23.2 Å²	23.2	0%	0.004	11%	0.113	C	C	.	.	H	α-helix	trans	-60.9	-59.7	173	-179	-97	0	0	0	111.4	V439 F440 L444 P457 I459 I460 L517 L518 K519 R523 K524 L525	V439-F521 WeakPolarHBondContact O-CE2 3.29Å; F440-F521 HydrophobicContact CD1-CB 4.21Å; F440-F521 AromaticContact CD1-CD2 3.95Å; F440-F521 HydrophobicContact CD1-CD2 3.95Å; F440-F521 HydrophobicContact CE1-CB 3.78Å; F440-F521 HydrophobicContact CE1-CD2 4.09Å; F440-F521 HydrophobicContact CE1-CG 4.46Å; L444-F521 HydrophobicContact CD1-CE1 4.19Å; L444-F521 HydrophobicContact CD1-CZ 4.47Å; P457-F521 HydrophobicContact CB-CZ 4.43Å; I459-F521 HydrophobicContact CD1-CD2 3.93Å; I459-F521 HydrophobicContact CD1-CG 4.46Å; I459-F521 HydrophobicContact CG2-CD2 3.71Å; I459-F521 HydrophobicContact CG2-CE1 4.41Å; I459-F521 HydrophobicContact CG2-CE2 3.55Å; I459-F521 HydrophobicContact CG2-CG 4.19Å; I459-F521 HydrophobicContact CG2-CZ 3.92Å; I460-F521 HydrophobicContact CD1-CD1 4.04Å; I460-F521 HydrophobicContact CD1-CE1 3.72Å; I460-F521 HydrophobicContact CG1-CD1 4.01Å; I460-F521 HydrophobicContact CG1-CE1 4.01Å; L517-F521 PolarHBondContact O-N 2.83Å; L518-F521 WeakPolarHBondContact O-CB 3.48Å; L518-F521 PolarHBondContact O-N 2.86Å; K519-F521 VanDerWaalsContact C-N 3.32Å; F521-R523 PolarHBondContact O-N 3.1Å; F521-R523 VanDerWaalsContact O-N 3.14Å; F521-K524 PolarHBondContact O-N 3.12Å; F521-L525 HydrophobicContact CD1-CD1 4.48Å; F521-L525 HydrophobicContact CD1-CG 4.43Å; F521-L525 HydrophobicContact CE1-CD1 4.06Å; F521-L525 HydrophobicContact CE1-CD2 3.78Å; F521-L525 HydrophobicContact CE1-CG 4.04Å; F521-L525 HydrophobicContact CE2-CD2 4.4Å; F521-L525 HydrophobicContact CZ-CD2 3.69Å; F521-L525 HydrophobicContact CZ-CG 4.39Å; F521-L525 PolarHBondContact O-N 3.09Å; F521-L525 VanDerWaalsContact O-N 3.1Å
522	F	93.5	Very high	91.9	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	12%	0.118	C	C	.	.	H	α-helix	trans	-58.9	-32	-178.8	-66	-64.4	0	0	0	113.6	I460 L518 L525 L529 T568 L572 F617 L621 R623	I460-F522 HydrophobicContact CD1-CE1 3.59Å; I460-F522 HydrophobicContact CD1-CZ 3.59Å; I460-F522 HydrophobicContact CG1-CE1 4.47Å; I460-F522 HydrophobicContact CG1-CZ 4.09Å; I460-F522 HydrophobicContact CG2-CZ 4.42Å; L518-F522 HydrophobicContact CD1-CD2 4.35Å; L518-F522 HydrophobicContact CD1-CE2 3.63Å; L518-F522 HydrophobicContact CD1-CZ 4.22Å; L518-F522 HydrophobicContact CG-CD2 4.41Å; L518-F522 HydrophobicContact CG-CE2 3.86Å; L518-F522 VanDerWaalsContact O-CD2 3.27Å; L518-F522 WeakPolarHBondContact O-CD2 3.45Å; L518-F522 PolarHBondContact O-N 3.35Å; F522-L525 HydrophobicContact CD1-CD1 3.96Å; F522-L529 HydrophobicContact CD1-CD2 4.28Å; F522-L529 HydrophobicContact CE1-CD2 3.89Å; F522-T568 HydrophobicContact CE1-CG2 4.01Å; F522-T568 HydrophobicContact CZ-CG2 4.47Å; F522-L572 HydrophobicContact CD2-CD2 4.47Å; F522-L572 HydrophobicContact CE1-CD2 4.37Å; F522-L572 HydrophobicContact CE2-CD1 3.98Å; F522-L572 HydrophobicContact CE2-CD2 3.78Å; F522-L572 HydrophobicContact CE2-CG 4.47Å; F522-L572 HydrophobicContact CZ-CD1 4.22Å; F522-L572 HydrophobicContact CZ-CD2 3.73Å; F522-L572 HydrophobicContact CZ-CG 4.39Å; F522-F617 HydrophobicContact CD2-CE1 4.23Å; F522-F617 HydrophobicContact CE2-CE1 4.37Å; F522-L621 HydrophobicContact CB-CD2 4Å; F522-L621 HydrophobicContact CD1-CD2 3.92Å; F522-L621 HydrophobicContact CD2-CD2 4.16Å; F522-L621 HydrophobicContact CE1-CD2 4.45Å; F522-L621 HydrophobicContact CG-CD2 3.76Å; F522-R623 PolarHBondContact O-NH1 2.89Å
523	R	90.2	Very high	91.8	Very high	160 Å²	160	28.6 Å²	28.6	60%	0.604	14%	0.144	S	C	*	.	H	α-helix	trans	-74.7	-23.7	175.2	-171	176.7	64.1	-148.7	-3.9	113.9	K519 F521	K519-R523 WeakPolarHBondContact O-CB 3.28Å; K519-R523 PolarHBondContact O-N 3.25Å; F521-R523 PolarHBondContact O-N 3.1Å; F521-R523 VanDerWaalsContact O-N 3.14Å
524	K	89.3	Confident	91.7	Very high	97 Å²	97	29.8 Å²	29.8	42%	0.422	15%	0.15	S	C	.	.	H	α-helix	trans	-91.9	-16.3	177.2	-81.3	-170.6	-179.2	-179	0	114	F440 A520 F521	F440-K524 HydrophobicContact CB-CD 3.61Å; F440-K524 HydrophobicContact CD1-CD 3.74Å; F440-K524 HydrophobicContact CG-CD 4.01Å; A520-K524 WeakPolarHBondContact O-CB 3.34Å; A520-K524 WeakPolarHBondContact O-CG 3.46Å; A520-K524 PolarHBondContact O-N 3.31Å; A520-K524 VanDerWaalsContact O-N 3.09Å; F521-K524 PolarHBondContact O-N 3.12Å
525	L	89.8	Confident	91.6	Very high	5 Å²	5	30.5 Å²	30.5	3%	0.026	15%	0.152	C	C	.	.	S	Bend	trans	-54.3	135	172.5	-71.4	173.5	0	0	0	110.4	L444 F521 F522 D527 R623	L444-L525 HydrophobicContact CD1-CD1 4.06Å; L444-L525 HydrophobicContact CD1-CD2 4.1Å; F521-L525 HydrophobicContact CD1-CD1 4.48Å; F521-L525 HydrophobicContact CD1-CG 4.43Å; F521-L525 HydrophobicContact CE1-CD1 4.06Å; F521-L525 HydrophobicContact CE1-CD2 3.78Å; F521-L525 HydrophobicContact CE1-CG 4.04Å; F521-L525 HydrophobicContact CE2-CD2 4.4Å; F521-L525 HydrophobicContact CZ-CD2 3.69Å; F521-L525 HydrophobicContact CZ-CG 4.39Å; F521-L525 PolarHBondContact O-N 3.09Å; F521-L525 VanDerWaalsContact O-N 3.1Å; F522-L525 HydrophobicContact CD1-CD1 3.96Å; L525-D527 WeakPolarHBondContact CB-O 3.37Å; L525-R623 PolarHBondContact O-NH2 3.33Å
526	P	87.5	Confident	91.5	Very high	66 Å²	66	39 Å²	39	43%	0.429	19%	0.185	S	C	.	.	S	Bend	trans	-56.9	-60.9	177.7	-25.5	34.3	0	0	0	112.1	G441 L442 R623	G441-P526 VanDerWaalsContact O-CG 3.25Å; G441-P526 WeakPolarHBondContact O-CG 3.4Å; L442-P526 WeakPolarHBondContact O-CD 3.1Å; P526-R623 PolarHBondContact O-NH2 3.34Å
527	D	89.7	Confident	91.4	Very high	50 Å²	50	42.4 Å²	42.4	27%	0.267	20%	0.198	S	C	.	.	S	Bend	trans	-88.4	133.3	171.9	-166.5	49.9	0	0	0	110	L525 T531 S532	L525-D527 WeakPolarHBondContact CB-O 3.37Å; D527-T531 WeakPolarHBondContact OD2-CA 3.46Å; D527-T531 WeakPolarHBondContact OD2-CB 3.29Å; D527-T531 WeakPolarHBondContact OD2-CG2 3.21Å; D527-S532 WeakPolarHBondContact OD1-CB 3.24Å; D527-S532 PolarHBondContact OD1-N 2.95Å; D527-S532 PolarHBondContact OD1-OG 2.91Å
528	P	91.7	Very high	91.4	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.032	20%	0.198	C	C	.	.			trans	-63	159.6	175.5	26.4	-37.3	0	0	0	112.7	L530 T531 R623	P528-L530 VanDerWaalsContact C-N 3.3Å; P528-L530 PolarHBondContact O-N 2.87Å; P528-T531 VanDerWaalsContact O-CA 3.3Å; P528-T531 WeakPolarHBondContact O-CA 3.3Å; P528-T531 PolarHBondContact O-N 2.88Å; P528-R623 HydrophobicContact CB-CB 4.05Å; P528-R623 HydrophobicContact CB-CG 4.12Å; P528-R623 HydrophobicContact CG-CB 4.03Å
529	L	92.9	Very high	91.3	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-32.7	-174.3	-173.6	61.2	0	0	0	114.2	L444 F522 T531 N565 T568 L569 L572 L621	L444-L529 HydrophobicContact CD2-CD1 3.61Å; F522-L529 HydrophobicContact CD1-CD2 4.28Å; F522-L529 HydrophobicContact CE1-CD2 3.89Å; L529-T531 PolarHBondContact O-N 3.47Å; L529-N565 HydrophobicContact CD1-CB 4.32Å; L529-N565 WeakPolarHBondContact O-CB 3.39Å; L529-N565 PolarHBondContact O-ND2 2.99Å; L529-T568 HydrophobicContact CD1-CG2 3.75Å; L529-T568 HydrophobicContact CD2-CG2 4.27Å; L529-L569 HydrophobicContact CD2-CB 4.09Å; L529-L569 HydrophobicContact CD2-CD1 3.74Å; L529-L569 HydrophobicContact CG-CB 4.29Å; L529-L569 HydrophobicContact CG-CD1 4.2Å; L529-L572 HydrophobicContact CD2-CD2 4.21Å; L529-L621 HydrophobicContact CB-CD2 4.1Å; L529-L621 HydrophobicContact CD2-CD2 3.89Å; L529-L621 PolarHBondContact N-O 2.67Å
530	L	92.7	Very high	91.2	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	6.4	172.8	-64.7	-164.1	0	0	0	114.5	P528 F538 L561 L569 L621 V622 I642 L646	P528-L530 VanDerWaalsContact C-N 3.3Å; P528-L530 PolarHBondContact O-N 2.87Å; L530-F538 HydrophobicContact CB-CD2 4.07Å; L530-F538 HydrophobicContact CB-CE2 3.89Å; L530-F538 HydrophobicContact CD1-CD1 4.26Å; L530-F538 HydrophobicContact CD1-CD2 4.11Å; L530-F538 HydrophobicContact CD1-CE1 4.37Å; L530-F538 HydrophobicContact CD1-CE2 4.22Å; L530-F538 HydrophobicContact CD1-CG 4.15Å; L530-F538 HydrophobicContact CD1-CZ 4.36Å; L530-F538 HydrophobicContact CD2-CE2 4.46Å; L530-F538 HydrophobicContact CD2-CZ 4.31Å; L530-F538 HydrophobicContact CG-CE2 4.42Å; L530-L561 HydrophobicContact CD2-CD1 4.12Å; L530-L561 VanDerWaalsContact O-CD2 3.31Å; L530-L561 WeakPolarHBondContact O-CD2 3.43Å; L530-L569 HydrophobicContact CD2-CD1 3.8Å; L530-L569 HydrophobicContact CD2-CD2 3.53Å; L530-L569 HydrophobicContact CD2-CG 4.32Å; L530-L621 PolarHBondContact N-O 3.25Å; L530-V622 HydrophobicContact CD1-CB 4.47Å; L530-V622 HydrophobicContact CD1-CG1 4.22Å; L530-V622 HydrophobicContact CD1-CG2 3.63Å; L530-V622 HydrophobicContact CG-CG2 4.2Å; L530-I642 HydrophobicContact CD1-CG2 3.95Å; L530-L646 HydrophobicContact CD1-CD1 4.29Å; L530-L646 HydrophobicContact CD2-CD1 4.32Å
531	T	91.4	Very high	91.3	Very high	8 Å²	8	46.4 Å²	46.4	5%	0.049	22%	0.217	C	C	.	.			trans	60.5	142.5	-167.3	74	0	0	0	0	114.9	D527 P528 L529 N533 L534 Y535 L561 P562	D527-T531 WeakPolarHBondContact OD2-CA 3.46Å; D527-T531 WeakPolarHBondContact OD2-CB 3.29Å; D527-T531 WeakPolarHBondContact OD2-CG2 3.21Å; P528-T531 VanDerWaalsContact O-CA 3.3Å; P528-T531 WeakPolarHBondContact O-CA 3.3Å; P528-T531 PolarHBondContact O-N 2.88Å; L529-T531 PolarHBondContact O-N 3.47Å; T531-N533 VanDerWaalsContact C-N 3.25Å; T531-N533 PolarHBondContact O-N 3.09Å; T531-L534 WeakPolarHBondContact OG1-CB 3.41Å; T531-L534 PolarHBondContact OG1-N 3.43Å; T531-L534 VanDerWaalsContact OG1-N 3.16Å; T531-Y535 PolarHBondContact O-N 3Å; T531-L561 HydrophobicContact CG2-CD2 4.01Å; T531-P562 HydrophobicContact CG2-CG 4Å
532	S	88	Confident	91.2	Very high	22 Å²	22	46.8 Å²	46.8	15%	0.154	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-28	172.1	58.8	0	0	0	0	111.9	D527 Y535 S625	D527-S532 WeakPolarHBondContact OD1-CB 3.24Å; D527-S532 PolarHBondContact OD1-N 2.95Å; D527-S532 PolarHBondContact OD1-OG 2.91Å; S532-Y535 VanDerWaalsContact O-CB 3.25Å; S532-Y535 WeakPolarHBondContact O-CB 3.38Å; S532-Y535 PolarHBondContact O-N 3.3Å; S532-S625 PolarHBondContact O-OG 3.21Å
533	N	90	Very high	91	Very high	133 Å²	133	52.8 Å²	52.8	71%	0.711	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-48.7	176.7	-70.4	-22.6	0	0	0	113	T531 Y535	T531-N533 VanDerWaalsContact C-N 3.25Å; T531-N533 PolarHBondContact O-N 3.09Å; N533-Y535 VanDerWaalsContact C-N 3.27Å; N533-Y535 PolarHBondContact O-N 3.14Å
534	L	91.6	Very high	91.1	Very high	27 Å²	27	47.4 Å²	47.4	14%	0.141	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-3.9	179.7	-62.5	178.8	0	0	0	113.7	T531 R536 H537 F538 K560 L561	T531-L534 WeakPolarHBondContact OG1-CB 3.41Å; T531-L534 PolarHBondContact OG1-N 3.43Å; T531-L534 VanDerWaalsContact OG1-N 3.16Å; L534-R536 VanDerWaalsContact C-N 3.34Å; L534-R536 PolarHBondContact O-N 3.08Å; L534-H537 PolarHBondContact O-N 2.66Å; L534-H537 VanDerWaalsContact O-N 3.14Å; L534-F538 HydrophobicContact CB-CD2 3.86Å; L534-F538 HydrophobicContact CB-CE2 3.69Å; L534-F538 HydrophobicContact CD1-CE2 4.24Å; L534-F538 VanDerWaalsContact O-CD2 3.32Å; L534-F538 WeakPolarHBondContact O-CD2 3.11Å; L534-F538 PolarHBondContact O-N 3.38Å; L534-K560 HydrophobicContact CD1-CB 4.12Å; L534-L561 HydrophobicContact CD1-CD2 3.93Å; L534-L561 HydrophobicContact CD1-CG 4.3Å
535	Y	91.5	Very high	91	Very high	15 Å²	15	51.4 Å²	51.4	6%	0.059	25%	0.245	C	C	.	.	H	α-helix	trans	-49.8	-49.1	-176.1	177.4	-92.3	0	0	0	113.4	T531 S532 N533 H537 F538 I539 V622 R623 P624 H635 Q639	T531-Y535 PolarHBondContact O-N 3Å; S532-Y535 VanDerWaalsContact O-CB 3.25Å; S532-Y535 WeakPolarHBondContact O-CB 3.38Å; S532-Y535 PolarHBondContact O-N 3.3Å; N533-Y535 VanDerWaalsContact C-N 3.27Å; N533-Y535 PolarHBondContact O-N 3.14Å; Y535-H537 PolarHBondContact O-N 2.98Å; Y535-F538 PolarHBondContact O-N 3.42Å; Y535-I539 HydrophobicContact CD1-CG1 4.32Å; Y535-I539 HydrophobicContact CE1-CG1 3.92Å; Y535-I539 HydrophobicContact CE2-CG1 4.49Å; Y535-I539 WeakPolarHBondContact O-CG1 3.29Å; Y535-I539 PolarHBondContact O-N 3.02Å; Y535-I539 VanDerWaalsContact O-N 3.15Å; Y535-V622 HydrophobicContact CD2-CG1 3.88Å; Y535-V622 HydrophobicContact CE2-CG1 3.9Å; Y535-R623 WeakPolarHBondContact CD2-O 3.36Å; Y535-P624 HydrophobicContact CD1-CB 4.08Å; Y535-P624 HydrophobicContact CE1-CB 3.78Å; Y535-P624 HydrophobicContact CE2-CB 4.3Å; Y535-P624 VanDerWaalsContact CE2-N 3.34Å; Y535-P624 HydrophobicContact CG-CB 4.47Å; Y535-H635 WeakPolarHBondContact OH-CB 3.13Å; Y535-Q639 HydrophobicContact CE2-CG 4.45Å; Y535-Q639 PolarHBondContact OH-NE2 2.69Å
536	R	90.6	Very high	90.9	Very high	180 Å²	180	54 Å²	54	68%	0.679	26%	0.263	S	S	*	.	H	α-helix	trans	-58.7	-48.4	-179.1	-68.9	-172.3	177.6	112	-3	111.2	L534 F538 I539 E540	L534-R536 VanDerWaalsContact C-N 3.34Å; L534-R536 PolarHBondContact O-N 3.08Å; R536-F538 VanDerWaalsContact C-N 3.35Å; R536-F538 PolarHBondContact O-N 3.25Å; R536-I539 WeakPolarHBondContact O-CB 3.25Å; R536-I539 PolarHBondContact O-N 2.85Å; R536-I539 VanDerWaalsContact O-N 3.11Å; R536-E540 VanDerWaalsContact O-CD 3.3Å; R536-E540 VanDerWaalsContact O-CG 3.3Å; R536-E540 WeakPolarHBondContact O-CG 3.32Å; R536-E540 PolarHBondContact O-N 3.03Å
537	H	92.6	Very high	90.8	Very high	89 Å²	89	54.5 Å²	54.5	41%	0.412	27%	0.267	S	S	.	.	H	α-helix	trans	-64.2	-35.3	179.6	-56.5	-38.9	0	0	0	113.4	L534 Y535 E540 A541 L557	L534-H537 PolarHBondContact O-N 2.66Å; L534-H537 VanDerWaalsContact O-N 3.14Å; Y535-H537 PolarHBondContact O-N 2.98Å; H537-E540 WeakPolarHBondContact CA-OE2 3.45Å; H537-E540 IonicContact CE1-OE2 3.91Å; H537-E540 IonicContact CG-OE2 3.33Å; H537-E540 IonicContact ND1-OE2 2.7Å; H537-E540 PolarHBondContact ND1-OE2 3.22Å; H537-E540 PolarHBondContact O-N 3.34Å; H537-A541 VanDerWaalsContact O-CB 3.23Å; H537-A541 WeakPolarHBondContact O-CB 3.24Å; H537-A541 PolarHBondContact O-N 3Å; H537-L557 VanDerWaalsContact C-CD1 3.48Å; H537-L557 HydrophobicContact CB-CD1 3.88Å; H537-L557 HydrophobicContact CB-CD2 3.64Å; H537-L557 HydrophobicContact CB-CG 4.44Å; H537-L557 VanDerWaalsContact O-CD1 3.25Å; H537-L557 WeakPolarHBondContact O-CD1 3.45Å
538	F	93.7	Very high	90.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.9	-38.5	173.2	-81.4	-65.8	0	0	0	112.4	L530 L534 Y535 R536 N542 L554 L557 V558 L561 I642	L530-F538 HydrophobicContact CB-CD2 4.07Å; L530-F538 HydrophobicContact CB-CE2 3.89Å; L530-F538 HydrophobicContact CD1-CD1 4.26Å; L530-F538 HydrophobicContact CD1-CD2 4.11Å; L530-F538 HydrophobicContact CD1-CE1 4.37Å; L530-F538 HydrophobicContact CD1-CE2 4.22Å; L530-F538 HydrophobicContact CD1-CG 4.15Å; L530-F538 HydrophobicContact CD1-CZ 4.36Å; L530-F538 HydrophobicContact CD2-CE2 4.46Å; L530-F538 HydrophobicContact CD2-CZ 4.31Å; L530-F538 HydrophobicContact CG-CE2 4.42Å; L534-F538 HydrophobicContact CB-CD2 3.86Å; L534-F538 HydrophobicContact CB-CE2 3.69Å; L534-F538 HydrophobicContact CD1-CE2 4.24Å; L534-F538 VanDerWaalsContact O-CD2 3.32Å; L534-F538 WeakPolarHBondContact O-CD2 3.11Å; L534-F538 PolarHBondContact O-N 3.38Å; Y535-F538 PolarHBondContact O-N 3.42Å; R536-F538 VanDerWaalsContact C-N 3.35Å; R536-F538 PolarHBondContact O-N 3.25Å; F538-N542 WeakPolarHBondContact O-CB 2.86Å; F538-N542 PolarHBondContact O-N 2.93Å; F538-N542 VanDerWaalsContact O-N 3.17Å; F538-L554 HydrophobicContact CD1-CD2 3.87Å; F538-L557 HydrophobicContact CD1-CB 4.13Å; F538-L557 HydrophobicContact CD1-CD1 4.1Å; F538-L557 HydrophobicContact CE1-CB 3.59Å; F538-L557 HydrophobicContact CE1-CD1 4.41Å; F538-L557 HydrophobicContact CE2-CB 4.46Å; F538-L557 HydrophobicContact CG-CD1 4.41Å; F538-L557 HydrophobicContact CZ-CB 3.78Å; F538-V558 HydrophobicContact CE1-CG2 4.02Å; F538-V558 HydrophobicContact CZ-CG2 4.25Å; F538-L561 HydrophobicContact CE2-CD2 4.32Å; F538-L561 HydrophobicContact CZ-CD1 4.5Å; F538-I642 HydrophobicContact CB-CD1 4.17Å; F538-I642 HydrophobicContact CD1-CG2 4.47Å; F538-I642 WeakPolarHBondContact O-CD1 3.47Å
539	I	92.1	Very high	90.6	Very high	7 Å²	7	62.2 Å²	62.2	4%	0.036	30%	0.303	C	S	.	.	H	α-helix	trans	-67.6	-44.9	174	-62.4	-62.4	0	0	0	111.2	Y535 R536 N542 R543 H635 D638 Q639 I642	Y535-I539 HydrophobicContact CD1-CG1 4.32Å; Y535-I539 HydrophobicContact CE1-CG1 3.92Å; Y535-I539 HydrophobicContact CE2-CG1 4.49Å; Y535-I539 WeakPolarHBondContact O-CG1 3.29Å; Y535-I539 PolarHBondContact O-N 3.02Å; Y535-I539 VanDerWaalsContact O-N 3.15Å; R536-I539 WeakPolarHBondContact O-CB 3.25Å; R536-I539 PolarHBondContact O-N 2.85Å; R536-I539 VanDerWaalsContact O-N 3.11Å; I539-N542 PolarHBondContact O-N 2.86Å; I539-R543 WeakPolarHBondContact O-CG 3.06Å; I539-R543 PolarHBondContact O-N 3.33Å; I539-H635 HydrophobicContact CD1-CB 3.82Å; I539-H635 WeakPolarHBondContact CG2-ND1 3.37Å; I539-D638 HydrophobicContact CD1-CB 3.6Å; I539-Q639 HydrophobicContact CD1-CG 4.41Å; I539-I642 HydrophobicContact CD1-CD1 3.96Å
540	E	91.8	Very high	90.4	Very high	99 Å²	99	65.3 Å²	65.3	46%	0.463	32%	0.315	S	S	.	.	H	α-helix	trans	-60.4	-50.2	177.4	-71.6	151.4	-164.6	0	0	111.2	R536 H537 N542 R543	R536-E540 VanDerWaalsContact O-CD 3.3Å; R536-E540 VanDerWaalsContact O-CG 3.3Å; R536-E540 WeakPolarHBondContact O-CG 3.32Å; R536-E540 PolarHBondContact O-N 3.03Å; H537-E540 WeakPolarHBondContact CA-OE2 3.45Å; H537-E540 IonicContact CE1-OE2 3.91Å; H537-E540 IonicContact CG-OE2 3.33Å; H537-E540 IonicContact ND1-OE2 2.7Å; H537-E540 PolarHBondContact ND1-OE2 3.22Å; H537-E540 PolarHBondContact O-N 3.34Å; E540-N542 VanDerWaalsContact C-N 3.3Å; E540-N542 PolarHBondContact O-N 3.34Å; E540-R543 WeakPolarHBondContact O-CB 3.44Å; E540-R543 PolarHBondContact O-N 2.91Å
541	A	92.6	Very high	90.3	Very high	6 Å²	6	66.5 Å²	66.5	5%	0.05	32%	0.321	C	S	.	.	H	α-helix	trans	-58.6	-39.9	177.1	0	0	0	0	0	112.4	H537 R543 I544 R550 L554 L557	H537-A541 VanDerWaalsContact O-CB 3.23Å; H537-A541 WeakPolarHBondContact O-CB 3.24Å; H537-A541 PolarHBondContact O-N 3Å; A541-R543 PolarHBondContact O-N 3.02Å; A541-I544 WeakPolarHBondContact O-CB 3.48Å; A541-I544 PolarHBondContact O-N 2.86Å; A541-R550 WeakPolarHBondContact O-CG 3.43Å; A541-L554 HydrophobicContact CB-CD2 3.84Å; A541-L554 HydrophobicContact CB-CG 4.07Å; A541-L557 HydrophobicContact CB-CD1 3.71Å
542	N	91.2	Very high	90.3	Very high	10 Å²	10	70.2 Å²	70.2	5%	0.053	34%	0.336	C	S	.	.	H	α-helix	trans	-65.4	-21.3	177	-173.1	70.2	0	0	0	113.8	F538 I539 E540 R550 D638 K641 I642	F538-N542 WeakPolarHBondContact O-CB 2.86Å; F538-N542 PolarHBondContact O-N 2.93Å; F538-N542 VanDerWaalsContact O-N 3.17Å; I539-N542 PolarHBondContact O-N 2.86Å; E540-N542 VanDerWaalsContact C-N 3.3Å; E540-N542 PolarHBondContact O-N 3.34Å; N542-R550 VanDerWaalsContact O-CD 3.31Å; N542-R550 WeakPolarHBondContact O-CD 3.33Å; N542-D638 PolarHBondContact ND2-OD1 2.87Å; N542-K641 WeakPolarHBondContact OD1-CB 3.11Å; N542-I642 HydrophobicContact CB-CD1 4.03Å; N542-I642 HydrophobicContact CB-CG1 3.68Å
543	R	91.1	Very high	90.5	Very high	127 Å²	127	71.1 Å²	71.1	48%	0.479	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-6.7	179.8	-70.3	168.5	177.7	-152.6	-6.4	113.7	I539 E540 A541 E545 H635 D638	I539-R543 WeakPolarHBondContact O-CG 3.06Å; I539-R543 PolarHBondContact O-N 3.33Å; E540-R543 WeakPolarHBondContact O-CB 3.44Å; E540-R543 PolarHBondContact O-N 2.91Å; A541-R543 PolarHBondContact O-N 3.02Å; R543-E545 PolarHBondContact O-N 3.41Å; R543-H635 PolarHBondContact NH2-CE1 3.13Å; R543-H635 VanDerWaalsContact NH2-CE1 3.31Å; R543-H635 PolarHBondContact NH2-ND1 2.91Å; R543-D638 IonicContact CZ-OD2 3.63Å; R543-D638 IonicContact NE-OD2 2.78Å; R543-D638 PolarHBondContact NE-OD2 3.1Å; R543-D638 VanDerWaalsContact NE-OD2 3.09Å; R543-D638 IonicContact NH2-OD2 3.22Å; R543-D638 PolarHBondContact NH2-OD2 3.25Å
544	I	92.2	Very high	90.6	Very high	46 Å²	46	64.9 Å²	64.9	24%	0.236	31%	0.307	C	S	.	.			trans	-62.3	127.1	170.7	-62.3	172.5	0	0	0	109.1	A541 L549 R550 T553	A541-I544 WeakPolarHBondContact O-CB 3.48Å; A541-I544 PolarHBondContact O-N 2.86Å; I544-L549 HydrophobicContact CD1-CG 4.38Å; I544-L549 HydrophobicContact CG2-CB 3.96Å; I544-L549 HydrophobicContact CG2-CD2 3.97Å; I544-L549 HydrophobicContact CG2-CG 4.04Å; I544-R550 HydrophobicContact CB-CB 4.13Å; I544-R550 HydrophobicContact CG2-CB 4.4Å; I544-R550 PolarHBondContact O-NH1 2.89Å; I544-T553 HydrophobicContact CD1-CG2 3.91Å; I544-T553 WeakPolarHBondContact CD1-OG1 3.26Å
545	E	86.1	Confident	90.6	Very high	182 Å²	182	65.8 Å²	65.8	85%	0.85	31%	0.309	S	S	*	.	S	Bend	trans	-67.7	-51.3	-175.3	-59.7	-176.5	157.6	0	0	111.5	R543 R550	R543-E545 PolarHBondContact O-N 3.41Å; E545-R550 PolarHBondContact O-NH1 3.12Å
546	S	87.1	Confident	90.7	Very high	58 Å²	58	68 Å²	68	41%	0.406	32%	0.322	S	S	.	.	S	Bend	trans	-65.4	116.6	-178.4	50.9	0	0	0	0	111	E548 L549 R550	S546-E548 VanDerWaalsContact C-N 3.33Å; S546-E548 PolarHBondContact O-N 3.17Å; S546-L549 PolarHBondContact O-N 3.25Å; S546-L549 WeakPolarHBondContact OG-CB 3.3Å; S546-R550 PolarHBondContact O-N 2.6Å
547	P	85.5	Confident	90.8	Very high	78 Å²	78	60.3 Å²	60.3	51%	0.506	29%	0.294	S	S	.	.	H	α-helix	trans	-66.5	-34.5	-166.5	25	-34.4	0	0	0	112.6	L551	P547-L551 WeakPolarHBondContact O-CG 3.5Å; P547-L551 PolarHBondContact O-N 3.05Å
548	E	87.4	Confident	90.8	Very high	129 Å²	129	56.1 Å²	56.1	60%	0.603	28%	0.275	S	S	*	.	H	α-helix	trans	-62.7	-46.5	173.8	-78.4	-170	-126	0	0	113	S546 L551 K552	S546-E548 VanDerWaalsContact C-N 3.33Å; S546-E548 PolarHBondContact O-N 3.17Å; E548-L551 PolarHBondContact O-N 3.49Å; E548-K552 WeakPolarHBondContact O-CB 3.42Å; E548-K552 WeakPolarHBondContact O-CD 3.33Å; E548-K552 WeakPolarHBondContact O-CG 3.44Å; E548-K552 PolarHBondContact O-N 2.77Å; E548-K552 WeakPolarHBondContact OE2-CE 3Å; E548-K552 IonicContact OE2-NZ 2.71Å; E548-K552 PolarHBondContact OE2-NZ 3.13Å
549	L	89.9	Confident	90.7	Very high	87 Å²	87	61.2 Å²	61.2	46%	0.455	29%	0.294	S	S	.	.	H	α-helix	trans	-69.5	-38.7	-177.7	-174.8	62.3	0	0	0	110.5	I544 S546 L551 K552 T553	I544-L549 HydrophobicContact CD1-CG 4.38Å; I544-L549 HydrophobicContact CG2-CB 3.96Å; I544-L549 HydrophobicContact CG2-CD2 3.97Å; I544-L549 HydrophobicContact CG2-CG 4.04Å; S546-L549 PolarHBondContact O-N 3.25Å; S546-L549 WeakPolarHBondContact OG-CB 3.3Å; L549-L551 VanDerWaalsContact C-N 3.34Å; L549-L551 PolarHBondContact O-N 3.43Å; L549-K552 PolarHBondContact O-N 3.4Å; L549-T553 HydrophobicContact CD1-CG2 4.25Å; L549-T553 HydrophobicContact CG-CG2 4.43Å; L549-T553 WeakPolarHBondContact O-CB 3.07Å; L549-T553 WeakPolarHBondContact O-CG2 3.11Å; L549-T553 PolarHBondContact O-N 3.27Å; L549-T553 PolarHBondContact O-OG1 2.7Å
550	R	90.4	Very high	90.7	Very high	67 Å²	67	68 Å²	68	25%	0.253	32%	0.323	S	S	.	.	H	α-helix	trans	-54.6	-46.9	168.6	175.1	165.7	71.1	-120.9	1.2	112	A541 N542 I544 E545 S546 T553 L554	A541-R550 WeakPolarHBondContact O-CG 3.43Å; N542-R550 VanDerWaalsContact O-CD 3.31Å; N542-R550 WeakPolarHBondContact O-CD 3.33Å; I544-R550 HydrophobicContact CB-CB 4.13Å; I544-R550 HydrophobicContact CG2-CB 4.4Å; I544-R550 PolarHBondContact O-NH1 2.89Å; E545-R550 PolarHBondContact O-NH1 3.12Å; S546-R550 PolarHBondContact O-N 2.6Å; R550-T553 PolarHBondContact O-OG1 2.74Å; R550-L554 HydrophobicContact CG-CD1 3.82Å; R550-L554 HydrophobicContact CG-CG 4.43Å; R550-L554 VanDerWaalsContact O-CB 3.27Å; R550-L554 WeakPolarHBondContact O-CB 3.28Å; R550-L554 WeakPolarHBondContact O-CG 2.94Å; R550-L554 PolarHBondContact O-N 2.94Å
551	L	89.8	Confident	90.8	Very high	27 Å²	27	63.9 Å²	63.9	14%	0.141	30%	0.304	C	S	.	.	H	α-helix	trans	-69.3	-41.6	178.9	-71.4	172.4	0	0	0	112.3	P547 E548 L549 R555 Y649 W652	P547-L551 WeakPolarHBondContact O-CG 3.5Å; P547-L551 PolarHBondContact O-N 3.05Å; E548-L551 PolarHBondContact O-N 3.49Å; L549-L551 VanDerWaalsContact C-N 3.34Å; L549-L551 PolarHBondContact O-N 3.43Å; L551-R555 VanDerWaalsContact O-CB 3.3Å; L551-R555 WeakPolarHBondContact O-CB 3.42Å; L551-R555 PolarHBondContact O-N 3.39Å; L551-Y649 HydrophobicContact CD1-CD1 4.4Å; L551-Y649 HydrophobicContact CD1-CD2 4.17Å; L551-Y649 HydrophobicContact CD1-CE1 4.08Å; L551-Y649 HydrophobicContact CD1-CE2 3.83Å; L551-Y649 HydrophobicContact CD1-CG 4.45Å; L551-Y649 HydrophobicContact CD2-CD2 3.47Å; L551-Y649 VanDerWaalsContact CD2-CD2 3.47Å; L551-Y649 HydrophobicContact CD2-CE2 3.74Å; L551-Y649 HydrophobicContact CD2-CG 4.05Å; L551-Y649 HydrophobicContact CG-CD2 4.5Å; L551-Y649 HydrophobicContact CG-CE2 4.45Å; L551-W652 HydrophobicContact CB-CH2 4.2Å; L551-W652 HydrophobicContact CB-CZ3 3.96Å; L551-W652 WeakPolarHBondContact O-CZ3 3.42Å
552	K	90.8	Very high	90.8	Very high	85 Å²	85	66 Å²	66	37%	0.37	32%	0.317	S	S	.	.	H	α-helix	trans	-59.1	-50.7	175.7	-69.5	161.8	-167.6	172.7	0	110.7	E548 L549 R555 D556 W652	E548-K552 WeakPolarHBondContact O-CB 3.42Å; E548-K552 WeakPolarHBondContact O-CD 3.33Å; E548-K552 WeakPolarHBondContact O-CG 3.44Å; E548-K552 PolarHBondContact O-N 2.77Å; E548-K552 WeakPolarHBondContact OE2-CE 3Å; E548-K552 IonicContact OE2-NZ 2.71Å; E548-K552 PolarHBondContact OE2-NZ 3.13Å; L549-K552 PolarHBondContact O-N 3.4Å; K552-R555 PolarHBondContact O-N 3.35Å; K552-D556 WeakPolarHBondContact O-CB 3.4Å; K552-D556 PolarHBondContact O-N 3.39Å; K552-D556 VanDerWaalsContact O-OD2 3.13Å; K552-W652 HydrophobicContact CG-CH2 4.21Å
553	T	92.2	Very high	90.7	Very high	41 Å²	41	72.8 Å²	72.8	25%	0.252	34%	0.342	S	S	.	.	H	α-helix	trans	-67.1	-42.7	179.1	54.9	0	0	0	0	113.2	I544 L549 R550 R555 D556 L557	I544-T553 HydrophobicContact CD1-CG2 3.91Å; I544-T553 WeakPolarHBondContact CD1-OG1 3.26Å; L549-T553 HydrophobicContact CD1-CG2 4.25Å; L549-T553 HydrophobicContact CG-CG2 4.43Å; L549-T553 WeakPolarHBondContact O-CB 3.07Å; L549-T553 WeakPolarHBondContact O-CG2 3.11Å; L549-T553 PolarHBondContact O-N 3.27Å; L549-T553 PolarHBondContact O-OG1 2.7Å; R550-T553 PolarHBondContact O-OG1 2.74Å; T553-R555 VanDerWaalsContact C-N 3.33Å; T553-R555 PolarHBondContact O-N 2.77Å; T553-D556 PolarHBondContact O-N 2.9Å; T553-L557 WeakPolarHBondContact O-CG 3.27Å; T553-L557 PolarHBondContact O-N 3.08Å
554	L	92.8	Very high	90.7	Very high	2 Å²	2	68.5 Å²	68.5	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-58.6	-43.7	174.8	-76.4	172.3	0	0	0	111.9	F538 A541 R550 D556 L557 V558 I642	F538-L554 HydrophobicContact CD1-CD2 3.87Å; A541-L554 HydrophobicContact CB-CD2 3.84Å; A541-L554 HydrophobicContact CB-CG 4.07Å; R550-L554 HydrophobicContact CG-CD1 3.82Å; R550-L554 HydrophobicContact CG-CG 4.43Å; R550-L554 VanDerWaalsContact O-CB 3.27Å; R550-L554 WeakPolarHBondContact O-CB 3.28Å; R550-L554 WeakPolarHBondContact O-CG 2.94Å; R550-L554 PolarHBondContact O-N 2.94Å; L554-D556 VanDerWaalsContact C-N 3.35Å; L554-L557 PolarHBondContact O-N 3.33Å; L554-V558 WeakPolarHBondContact O-CG2 3.3Å; L554-V558 PolarHBondContact O-N 2.59Å; L554-I642 HydrophobicContact CD2-CG1 4.42Å
555	R	91.9	Very high	90.7	Very high	47 Å²	47	66.8 Å²	66.8	18%	0.177	32%	0.319	C	S	.	.	H	α-helix	trans	-62.9	-40.9	175.9	-179.6	-168.6	69.6	-179.3	1.1	112.1	L551 K552 T553 L557 V558 R559 W652	L551-R555 VanDerWaalsContact O-CB 3.3Å; L551-R555 WeakPolarHBondContact O-CB 3.42Å; L551-R555 PolarHBondContact O-N 3.39Å; K552-R555 PolarHBondContact O-N 3.35Å; T553-R555 VanDerWaalsContact C-N 3.33Å; T553-R555 PolarHBondContact O-N 2.77Å; R555-L557 VanDerWaalsContact C-N 3.34Å; R555-V558 WeakPolarHBondContact O-CB 3.47Å; R555-V558 PolarHBondContact O-N 2.75Å; R555-R559 VanDerWaalsContact NE-NH1 3.11Å; R555-R559 WeakPolarHBondContact O-CG 3.3Å; R555-R559 PolarHBondContact O-N 3.19Å; R555-R559 VanDerWaalsContact O-N 3.09Å; R555-W652 HydrophobicContact CB-CE3 4.49Å; R555-W652 HydrophobicContact CB-CH2 4.42Å; R555-W652 HydrophobicContact CB-CZ3 3.83Å; R555-W652 HydrophobicContact CG-CZ3 4.23Å
556	D	92.3	Very high	91.1	Very high	62 Å²	62	60.3 Å²	60.3	33%	0.332	29%	0.287	S	S	.	.	H	α-helix	trans	-77.9	-21.2	-177.6	-61.2	-24.2	0	0	0	112.1	K552 T553 L554 R559 K560	K552-D556 WeakPolarHBondContact O-CB 3.4Å; K552-D556 PolarHBondContact O-N 3.39Å; K552-D556 VanDerWaalsContact O-OD2 3.13Å; T553-D556 PolarHBondContact O-N 2.9Å; L554-D556 VanDerWaalsContact C-N 3.35Å; D556-R559 IonicContact OD1-CZ 2.64Å; D556-R559 IonicContact OD1-NE 2.7Å; D556-R559 IonicContact OD1-NH1 3.62Å; D556-R559 PolarHBondContact OD1-NH1 3.31Å; D556-K560 WeakPolarHBondContact O-CG 3.44Å
557	L	93.5	Very high	91.3	Very high	18 Å²	18	60.1 Å²	60.1	9%	0.094	28%	0.28	C	S	.	.	H	α-helix	trans	-73.4	-41	163.3	-70.8	171.5	0	0	0	112.7	H537 F538 A541 T553 L554 R555 R559 K560	H537-L557 VanDerWaalsContact C-CD1 3.48Å; H537-L557 HydrophobicContact CB-CD1 3.88Å; H537-L557 HydrophobicContact CB-CD2 3.64Å; H537-L557 HydrophobicContact CB-CG 4.44Å; H537-L557 VanDerWaalsContact O-CD1 3.25Å; H537-L557 WeakPolarHBondContact O-CD1 3.45Å; F538-L557 HydrophobicContact CD1-CB 4.13Å; F538-L557 HydrophobicContact CD1-CD1 4.1Å; F538-L557 HydrophobicContact CE1-CB 3.59Å; F538-L557 HydrophobicContact CE1-CD1 4.41Å; F538-L557 HydrophobicContact CE2-CB 4.46Å; F538-L557 HydrophobicContact CG-CD1 4.41Å; F538-L557 HydrophobicContact CZ-CB 3.78Å; A541-L557 HydrophobicContact CB-CD1 3.71Å; T553-L557 WeakPolarHBondContact O-CG 3.27Å; T553-L557 PolarHBondContact O-N 3.08Å; L554-L557 PolarHBondContact O-N 3.33Å; R555-L557 VanDerWaalsContact C-N 3.34Å; L557-R559 PolarHBondContact O-N 3.47Å; L557-K560 HydrophobicContact CD2-CD 4.48Å; L557-K560 WeakPolarHBondContact O-CB 3.19Å; L557-K560 PolarHBondContact O-N 3.03Å
558	V	93.2	Very high	91.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-57.2	-36.4	173	165.1	0	0	0	0	111.3	F538 L554 R555 K560 L561 Y566 L569 L646 F654	F538-V558 HydrophobicContact CE1-CG2 4.02Å; F538-V558 HydrophobicContact CZ-CG2 4.25Å; L554-V558 WeakPolarHBondContact O-CG2 3.3Å; L554-V558 PolarHBondContact O-N 2.59Å; R555-V558 WeakPolarHBondContact O-CB 3.47Å; R555-V558 PolarHBondContact O-N 2.75Å; V558-K560 VanDerWaalsContact C-N 3.26Å; V558-K560 PolarHBondContact O-N 3.21Å; V558-L561 HydrophobicContact CG1-CD1 4.41Å; V558-L561 WeakPolarHBondContact O-CB 3.46Å; V558-L561 WeakPolarHBondContact O-CG 3.47Å; V558-L561 PolarHBondContact O-N 3.44Å; V558-Y566 HydrophobicContact CG1-CD2 3.87Å; V558-Y566 HydrophobicContact CG1-CE2 3.92Å; V558-Y566 WeakPolarHBondContact O-CD2 3.36Å; V558-L569 HydrophobicContact CG1-CD2 4.24Å; V558-L569 HydrophobicContact CG2-CD2 4.22Å; V558-L646 HydrophobicContact CG2-CD2 3.64Å; V558-F654 HydrophobicContact CG1-CD1 4.34Å; V558-F654 HydrophobicContact CG1-CE1 3.5Å; V558-F654 VanDerWaalsContact CG1-CE1 3.5Å; V558-F654 HydrophobicContact CG1-CZ 3.94Å
559	R	91.4	Very high	92	Very high	108 Å²	108	50.3 Å²	50.3	41%	0.408	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-13.2	175.4	-70.1	166	178.4	171.6	-8.9	114.9	R555 D556 L557	R555-R559 VanDerWaalsContact NE-NH1 3.11Å; R555-R559 WeakPolarHBondContact O-CG 3.3Å; R555-R559 PolarHBondContact O-N 3.19Å; R555-R559 VanDerWaalsContact O-N 3.09Å; D556-R559 IonicContact OD1-CZ 2.64Å; D556-R559 IonicContact OD1-NE 2.7Å; D556-R559 IonicContact OD1-NH1 3.62Å; D556-R559 PolarHBondContact OD1-NH1 3.31Å; L557-R559 PolarHBondContact O-N 3.47Å
560	K	92.6	Very high	92.2	Very high	149 Å²	149	50.8 Å²	50.8	65%	0.648	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-2.1	174.5	-69.4	177	-178.8	-175.8	0	113.3	L534 D556 L557 V558	L534-K560 HydrophobicContact CD1-CB 4.12Å; D556-K560 WeakPolarHBondContact O-CG 3.44Å; L557-K560 HydrophobicContact CD2-CD 4.48Å; L557-K560 WeakPolarHBondContact O-CB 3.19Å; L557-K560 PolarHBondContact O-N 3.03Å; V558-K560 VanDerWaalsContact C-N 3.26Å; V558-K560 PolarHBondContact O-N 3.21Å
561	L	92.5	Very high	92.3	Very high	13 Å²	13	50.8 Å²	50.8	7%	0.068	22%	0.223	C	C	.	.	S	Bend	trans	-67.5	148.7	176	-71.6	167.1	0	0	0	111.5	L530 T531 L534 F538 V558 N565 L569	L530-L561 HydrophobicContact CD2-CD1 4.12Å; L530-L561 VanDerWaalsContact O-CD2 3.31Å; L530-L561 WeakPolarHBondContact O-CD2 3.43Å; T531-L561 HydrophobicContact CG2-CD2 4.01Å; L534-L561 HydrophobicContact CD1-CD2 3.93Å; L534-L561 HydrophobicContact CD1-CG 4.3Å; F538-L561 HydrophobicContact CE2-CD2 4.32Å; F538-L561 HydrophobicContact CZ-CD1 4.5Å; V558-L561 HydrophobicContact CG1-CD1 4.41Å; V558-L561 WeakPolarHBondContact O-CB 3.46Å; V558-L561 WeakPolarHBondContact O-CG 3.47Å; V558-L561 PolarHBondContact O-N 3.44Å; L561-N565 HydrophobicContact CB-CB 4.2Å; L561-N565 HydrophobicContact CD2-CB 4.43Å; L561-L569 HydrophobicContact CD1-CD2 3.63Å
562	P	92.5	Very high	92.5	Very high	50 Å²	50	49.5 Å²	49.5	33%	0.325	22%	0.217	S	C	.	.			trans	-52.5	151.5	167.3	-25.3	34.1	0	0	0	112	T531 H564 N565 Y566	T531-P562 HydrophobicContact CG2-CG 4Å; P562-H564 VanDerWaalsContact C-N 3.33Å; P562-H564 PolarHBondContact O-N 3.42Å; P562-N565 HydrophobicContact CB-CB 4.38Å; P562-N565 WeakPolarHBondContact O-CA 3.4Å; P562-N565 WeakPolarHBondContact O-CB 3.17Å; P562-N565 PolarHBondContact O-N 3.27Å; P562-Y566 PolarHBondContact O-N 3.29Å
563	R	89.9	Confident	92.6	Very high	153 Å²	153	45.4 Å²	45.4	58%	0.577	20%	0.199	S	C	*	.	H	α-helix	trans	-61.7	-39.1	-170.1	-166.8	170.6	179.3	-175.2	-5.4	113	Y455 E567	Y455-R563 HydrophobicContact CD1-CB 4.3Å; Y455-R563 HydrophobicContact CD1-CG 3.89Å; Y455-R563 HydrophobicContact CD2-CG 4.22Å; Y455-R563 HydrophobicContact CE1-CB 4.46Å; Y455-R563 HydrophobicContact CE1-CG 4.01Å; Y455-R563 HydrophobicContact CE2-CG 4.33Å; Y455-R563 HydrophobicContact CG-CG 4.02Å; Y455-R563 VanDerWaalsContact CZ-CZ 3.43Å; Y455-R563 VanDerWaalsContact OH-CZ 3.28Å; Y455-R563 PolarHBondContact OH-NH1 3.29Å; Y455-R563 VanDerWaalsContact OH-NH1 3.13Å; R563-E567 PolarHBondContact O-N 2.86Å; R563-E567 VanDerWaalsContact O-N 3.12Å
564	H	90.9	Very high	92.5	Very high	36 Å²	36	48.6 Å²	48.6	17%	0.167	21%	0.211	C	C	.	.	H	α-helix	trans	-60.8	-45.1	173	-67.6	-96	0	0	0	111.8	L444 E445 Y455 P562 T568	L444-H564 HydrophobicContact CB-CB 4.48Å; L444-H564 HydrophobicContact CD2-CB 4.17Å; L444-H564 HydrophobicContact CG-CB 4.21Å; E445-H564 HydrophobicContact CG-CB 4.05Å; E445-H564 IonicContact OE1-CD2 3.95Å; E445-H564 PolarHBondContact OE1-CD2 3.28Å; Y455-H564 AromaticContact CD1-CD2 3.93Å; Y455-H564 AromaticContact CD1-CE1 3.72Å; Y455-H564 AromaticContact CD1-ND1 3.98Å; Y455-H564 AromaticContact CD1-NE2 3.64Å; Y455-H564 AromaticContact CE1-NE2 3.91Å; P562-H564 VanDerWaalsContact C-N 3.33Å; P562-H564 PolarHBondContact O-N 3.42Å; H564-T568 WeakPolarHBondContact O-CB 3.23Å; H564-T568 PolarHBondContact O-N 2.75Å; H564-T568 PolarHBondContact O-OG1 3.33Å
565	N	92.9	Very high	92.5	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.053	21%	0.21	C	C	.	.	H	α-helix	trans	-66.2	-46.4	178.6	-66.2	55.1	0	0	0	111.8	L444 L529 L561 P562 L569	L444-N565 HydrophobicContact CD2-CB 4.26Å; L529-N565 HydrophobicContact CD1-CB 4.32Å; L529-N565 WeakPolarHBondContact O-CB 3.39Å; L529-N565 PolarHBondContact O-ND2 2.99Å; L561-N565 HydrophobicContact CB-CB 4.2Å; L561-N565 HydrophobicContact CD2-CB 4.43Å; P562-N565 HydrophobicContact CB-CB 4.38Å; P562-N565 WeakPolarHBondContact O-CA 3.4Å; P562-N565 WeakPolarHBondContact O-CB 3.17Å; P562-N565 PolarHBondContact O-N 3.27Å; N565-L569 WeakPolarHBondContact O-CB 3.3Å; N565-L569 PolarHBondContact O-N 2.95Å
566	Y	93.5	Very high	92.5	Very high	46 Å²	46	46.3 Å²	46.3	18%	0.18	20%	0.202	C	C	.	.	H	α-helix	trans	-61.3	-51.1	-179.5	173.7	-99.5	0	0	0	112.3	V558 P562 L569 R570 F654	V558-Y566 HydrophobicContact CG1-CD2 3.87Å; V558-Y566 HydrophobicContact CG1-CE2 3.92Å; V558-Y566 WeakPolarHBondContact O-CD2 3.36Å; P562-Y566 PolarHBondContact O-N 3.29Å; Y566-L569 PolarHBondContact O-N 3.31Å; Y566-R570 VanDerWaalsContact O-CB 3.31Å; Y566-R570 WeakPolarHBondContact O-CB 3.11Å; Y566-R570 PolarHBondContact O-N 3.14Å; Y566-F654 HydrophobicContact CD2-CD1 4.32Å; Y566-F654 HydrophobicContact CD2-CE1 4.01Å; Y566-F654 AromaticContact CE2-CD1 3.59Å; Y566-F654 HydrophobicContact CE2-CD1 3.59Å; Y566-F654 AromaticContact CE2-CE1 3.71Å; Y566-F654 HydrophobicContact CE2-CE1 3.71Å; Y566-F654 AromaticContact CZ-CD1 3.82Å
567	E	91.9	Very high	92.3	Very high	55 Å²	55	45.9 Å²	45.9	26%	0.257	20%	0.2	S	C	.	.	H	α-helix	trans	-70.3	-35.1	-179.4	-67.6	-58.4	156.7	0	0	112.2	V456 R563 R570 Y571	V456-E567 HydrophobicContact CG2-CB 4.09Å; R563-E567 PolarHBondContact O-N 2.86Å; R563-E567 VanDerWaalsContact O-N 3.12Å; E567-R570 WeakPolarHBondContact O-CB 3.24Å; E567-R570 PolarHBondContact O-N 3.33Å; E567-R570 WeakPolarHBondContact OE2-CD 3.46Å; E567-R570 IonicContact OE2-NE 3.8Å; E567-Y571 WeakPolarHBondContact O-CB 2.9Å; E567-Y571 PolarHBondContact O-N 3.4Å
568	T	93.6	Very high	92	Very high	0 Å²	0	49 Å²	49	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.1	-41.3	173.7	-64.9	0	0	0	0	111.8	L444 P457 I460 F522 L529 H564 Y571 L572	L444-T568 HydrophobicContact CD1-CG2 4.32Å; L444-T568 HydrophobicContact CD2-CG2 4.34Å; P457-T568 VanDerWaalsContact CD-OG1 3.3Å; P457-T568 WeakPolarHBondContact CD-OG1 3.46Å; I460-T568 HydrophobicContact CD1-CG2 3.37Å; F522-T568 HydrophobicContact CE1-CG2 4.01Å; F522-T568 HydrophobicContact CZ-CG2 4.47Å; L529-T568 HydrophobicContact CD1-CG2 3.75Å; L529-T568 HydrophobicContact CD2-CG2 4.27Å; H564-T568 WeakPolarHBondContact O-CB 3.23Å; H564-T568 PolarHBondContact O-N 2.75Å; H564-T568 PolarHBondContact O-OG1 3.33Å; T568-Y571 PolarHBondContact O-N 2.95Å; T568-L572 WeakPolarHBondContact O-CB 3.32Å; T568-L572 PolarHBondContact O-N 2.84Å
569	L	93.9	Very high	91.7	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-64.8	-44.9	174.8	-174.8	73.1	0	0	0	111.2	L529 L530 V558 L561 N565 Y566 Y571 L572 M573 F654	L529-L569 HydrophobicContact CD2-CB 4.09Å; L529-L569 HydrophobicContact CD2-CD1 3.74Å; L529-L569 HydrophobicContact CG-CB 4.29Å; L529-L569 HydrophobicContact CG-CD1 4.2Å; L530-L569 HydrophobicContact CD2-CD1 3.8Å; L530-L569 HydrophobicContact CD2-CD2 3.53Å; L530-L569 HydrophobicContact CD2-CG 4.32Å; V558-L569 HydrophobicContact CG1-CD2 4.24Å; V558-L569 HydrophobicContact CG2-CD2 4.22Å; L561-L569 HydrophobicContact CD1-CD2 3.63Å; N565-L569 WeakPolarHBondContact O-CB 3.3Å; N565-L569 PolarHBondContact O-N 2.95Å; Y566-L569 PolarHBondContact O-N 3.31Å; L569-Y571 VanDerWaalsContact C-N 3.34Å; L569-Y571 PolarHBondContact O-N 3.48Å; L569-L572 PolarHBondContact O-N 2.94Å; L569-M573 HydrophobicContact CD1-CE 3.63Å; L569-M573 HydrophobicContact CD1-CG 4.19Å; L569-M573 HydrophobicContact CG-CG 4.23Å; L569-M573 WeakPolarHBondContact O-CB 3.39Å; L569-M573 VanDerWaalsContact O-CG 3.23Å; L569-M573 WeakPolarHBondContact O-CG 3.3Å; L569-M573 PolarHBondContact O-N 3.25Å; L569-F654 HydrophobicContact CB-CZ 4.43Å; L569-F654 HydrophobicContact CD2-CE1 4.49Å; L569-F654 HydrophobicContact CD2-CZ 3.93Å; L569-F654 HydrophobicContact CG-CZ 3.93Å
570	R	92.9	Very high	91.4	Very high	97 Å²	97	45.5 Å²	45.5	37%	0.366	20%	0.201	S	C	.	.	H	α-helix	trans	-53	-51.2	173.3	178.3	-165	-172.5	89.7	10.4	111.2	Y566 E567 H574 F654	Y566-R570 VanDerWaalsContact O-CB 3.31Å; Y566-R570 WeakPolarHBondContact O-CB 3.11Å; Y566-R570 PolarHBondContact O-N 3.14Å; E567-R570 WeakPolarHBondContact O-CB 3.24Å; E567-R570 PolarHBondContact O-N 3.33Å; E567-R570 WeakPolarHBondContact OE2-CD 3.46Å; E567-R570 IonicContact OE2-NE 3.8Å; R570-H574 WeakPolarHBondContact O-CB 3.32Å; R570-H574 PolarHBondContact O-N 2.76Å; R570-F654 HydrophobicContact CB-CD1 3.74Å; R570-F654 HydrophobicContact CB-CD2 4.37Å; R570-F654 HydrophobicContact CB-CE1 3.87Å; R570-F654 HydrophobicContact CB-CG 4.02Å; R570-F654 HydrophobicContact CB-CZ 4.3Å; R570-F654 HydrophobicContact CG-CB 4.03Å; R570-F654 HydrophobicContact CG-CD1 3.99Å; R570-F654 HydrophobicContact CG-CD2 4.36Å; R570-F654 HydrophobicContact CG-CG 3.87Å; R570-F654 PolarHBondContact NH1-O 3.39Å; R570-F654 PolarHBondContact NH2-O 3.04Å
571	Y	92.9	Very high	90.9	Very high	66 Å²	66	41.5 Å²	41.5	26%	0.259	20%	0.196	S	C	.	.	H	α-helix	trans	-63.1	-46.3	-179.1	-170.6	-102.7	0	0	0	112	V456 I460 Q461 V464 E567 T568 L569 H575	V456-Y571 HydrophobicContact CG1-CD1 3.82Å; V456-Y571 HydrophobicContact CG1-CE1 4.41Å; V456-Y571 HydrophobicContact CG1-CG 3.99Å; V456-Y571 HydrophobicContact CG2-CG 4.47Å; I460-Y571 HydrophobicContact CG2-CD1 3.87Å; I460-Y571 HydrophobicContact CG2-CE1 4.14Å; Q461-Y571 HydrophobicContact CG-CE1 4.42Å; V464-Y571 HydrophobicContact CB-CE1 3.79Å; V464-Y571 HydrophobicContact CG1-CE1 3.79Å; V464-Y571 HydrophobicContact CG2-CD1 4.38Å; V464-Y571 HydrophobicContact CG2-CE1 3.83Å; E567-Y571 WeakPolarHBondContact O-CB 2.9Å; E567-Y571 PolarHBondContact O-N 3.4Å; T568-Y571 PolarHBondContact O-N 2.95Å; L569-Y571 VanDerWaalsContact C-N 3.34Å; L569-Y571 PolarHBondContact O-N 3.48Å; Y571-H575 PolarHBondContact O-N 3.26Å; Y571-H575 VanDerWaalsContact O-N 3.11Å
572	L	93.8	Very high	89.9	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.5	-47.4	177.1	-178.7	65	0	0	0	112.1	L518 F522 L529 T568 L569 H574 H575 L576 F617 L621	L518-L572 HydrophobicContact CD2-CD1 4.49Å; F522-L572 HydrophobicContact CD2-CD2 4.47Å; F522-L572 HydrophobicContact CE1-CD2 4.37Å; F522-L572 HydrophobicContact CE2-CD1 3.98Å; F522-L572 HydrophobicContact CE2-CD2 3.78Å; F522-L572 HydrophobicContact CE2-CG 4.47Å; F522-L572 HydrophobicContact CZ-CD1 4.22Å; F522-L572 HydrophobicContact CZ-CD2 3.73Å; F522-L572 HydrophobicContact CZ-CG 4.39Å; L529-L572 HydrophobicContact CD2-CD2 4.21Å; T568-L572 WeakPolarHBondContact O-CB 3.32Å; T568-L572 PolarHBondContact O-N 2.84Å; L569-L572 PolarHBondContact O-N 2.94Å; L572-H574 VanDerWaalsContact C-N 3.32Å; L572-H574 PolarHBondContact O-N 3.45Å; L572-H575 WeakPolarHBondContact O-CB 3.2Å; L572-H575 PolarHBondContact O-N 3.09Å; L572-L576 HydrophobicContact CD1-CD1 4.26Å; L572-L576 HydrophobicContact CD1-CG 4.18Å; L572-L576 HydrophobicContact CG-CD1 4.06Å; L572-L576 HydrophobicContact CG-CG 4.31Å; L572-L576 WeakPolarHBondContact O-CG 3.45Å; L572-L576 PolarHBondContact O-N 3.27Å; L572-F617 HydrophobicContact CD1-CE1 4.17Å; L572-F617 HydrophobicContact CD1-CZ 4.37Å; L572-F617 HydrophobicContact CD2-CD1 4.33Å; L572-F617 HydrophobicContact CD2-CE1 4.27Å; L572-L621 HydrophobicContact CD2-CD1 3.71Å; L572-L621 HydrophobicContact CD2-CD2 3.81Å; L572-L621 HydrophobicContact CD2-CG 4.4Å
573	M	93.6	Very high	88.6	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.9	-35.6	-177.5	-68.5	-59.8	151.7	0	0	112	L569 L576 N577 L621 V643 L646 I647 F654	L569-M573 HydrophobicContact CD1-CE 3.63Å; L569-M573 HydrophobicContact CD1-CG 4.19Å; L569-M573 HydrophobicContact CG-CG 4.23Å; L569-M573 WeakPolarHBondContact O-CB 3.39Å; L569-M573 VanDerWaalsContact O-CG 3.23Å; L569-M573 WeakPolarHBondContact O-CG 3.3Å; L569-M573 PolarHBondContact O-N 3.25Å; M573-L576 PolarHBondContact O-N 3.43Å; M573-L576 HydrophobicContact SD-CD1 4.49Å; M573-N577 VanDerWaalsContact O-CB 3.25Å; M573-N577 WeakPolarHBondContact O-CB 3.35Å; M573-N577 PolarHBondContact O-N 3.49Å; M573-L621 HydrophobicContact CE-CD1 3.61Å; M573-V643 HydrophobicContact CE-CG1 4.21Å; M573-L646 HydrophobicContact CE-CB 4.34Å; M573-L646 HydrophobicContact CG-CB 4.3Å; M573-L646 HydrophobicContact SD-CB 3.86Å; M573-I647 HydrophobicContact SD-CG1 3.56Å; M573-I647 VanDerWaalsContact SD-CG1 3.56Å; M573-F654 HydrophobicContact CB-CE2 3.89Å; M573-F654 HydrophobicContact CG-CE2 4.13Å
574	H	90.6	Very high	86.9	Confident	107 Å²	107	37.9 Å²	37.9	50%	0.495	19%	0.193	S	C	.	.	H	α-helix	trans	-66	-41.5	172.5	-172.4	71.6	0	0	0	112.3	R570 L572 N577 R578	R570-H574 WeakPolarHBondContact O-CB 3.32Å; R570-H574 PolarHBondContact O-N 2.76Å; L572-H574 VanDerWaalsContact C-N 3.32Å; L572-H574 PolarHBondContact O-N 3.45Å; H574-N577 PolarHBondContact O-N 2.81Å; H574-R578 PolarHBondContact O-N 2.94Å
575	H	91.7	Very high	85.1	Confident	1 Å²	1	41 Å²	41	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-61.2	-48.6	173.3	174.1	62.6	0	0	0	112.1	V464 E468 Y478 Y571 L572 N577 R578 V579	V464-H575 HydrophobicContact CG1-CB 4.01Å; V464-H575 HydrophobicContact CG2-CB 4.31Å; E468-H575 VanDerWaalsContact CG-CE1 3.46Å; E468-H575 WeakPolarHBondContact CG-CE1 3.31Å; E468-H575 VanDerWaalsContact CG-ND1 3.32Å; E468-H575 WeakPolarHBondContact CG-ND1 3.45Å; E468-H575 IonicContact OE1-CE1 2.75Å; E468-H575 IonicContact OE1-CG 3.37Å; E468-H575 IonicContact OE1-ND1 2.76Å; E468-H575 PolarHBondContact OE1-ND1 2.94Å; Y478-H575 AromaticContact CE2-NE2 3.61Å; Y478-H575 AromaticContact CZ-NE2 3.67Å; Y478-H575 PolarHBondContact OH-CD2 3.02Å; Y478-H575 PolarHBondContact OH-NE2 3.1Å; Y571-H575 PolarHBondContact O-N 3.26Å; Y571-H575 VanDerWaalsContact O-N 3.11Å; L572-H575 WeakPolarHBondContact O-CB 3.2Å; L572-H575 PolarHBondContact O-N 3.09Å; H575-N577 VanDerWaalsContact C-N 3.34Å; H575-N577 PolarHBondContact O-N 2.78Å; H575-R578 WeakPolarHBondContact O-CB 3.49Å; H575-R578 PolarHBondContact O-N 2.81Å; H575-R578 VanDerWaalsContact O-N 3.12Å; H575-V579 PolarHBondContact O-N 2.98Å
576	L	91.6	Very high	83	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-39.3	179	-65.4	-177.8	0	0	0	111.8	Y478 L572 M573 R578 V579 V580 L613 F617 I647	Y478-L576 HydrophobicContact CD2-CD2 4.13Å; Y478-L576 HydrophobicContact CE2-CD2 3.91Å; L572-L576 HydrophobicContact CD1-CD1 4.26Å; L572-L576 HydrophobicContact CD1-CG 4.18Å; L572-L576 HydrophobicContact CG-CD1 4.06Å; L572-L576 HydrophobicContact CG-CG 4.31Å; L572-L576 WeakPolarHBondContact O-CG 3.45Å; L572-L576 PolarHBondContact O-N 3.27Å; M573-L576 PolarHBondContact O-N 3.43Å; M573-L576 HydrophobicContact SD-CD1 4.49Å; L576-R578 VanDerWaalsContact C-N 3.32Å; L576-R578 PolarHBondContact O-N 3.31Å; L576-V579 PolarHBondContact O-N 3Å; L576-V579 VanDerWaalsContact O-N 3.15Å; L576-V580 WeakPolarHBondContact O-CG2 3.42Å; L576-V580 PolarHBondContact O-N 2.7Å; L576-L613 HydrophobicContact CB-CD1 4.19Å; L576-L613 HydrophobicContact CD2-CD1 4.23Å; L576-L613 HydrophobicContact CD2-CD2 4.19Å; L576-F617 HydrophobicContact CD1-CD2 3.9Å; L576-F617 HydrophobicContact CD1-CE2 4.01Å; L576-F617 HydrophobicContact CD1-CG 4.21Å; L576-F617 HydrophobicContact CD1-CZ 4.41Å; L576-F617 HydrophobicContact CD2-CD2 4.2Å; L576-F617 HydrophobicContact CD2-CE2 3.57Å; L576-F617 HydrophobicContact CD2-CZ 4Å; L576-F617 HydrophobicContact CG-CE2 4.44Å; L576-I647 HydrophobicContact CB-CD1 4.24Å; L576-I647 HydrophobicContact CB-CG1 4.11Å; L576-I647 HydrophobicContact CB-CG2 4.49Å; L576-I647 HydrophobicContact CD1-CD1 3.99Å; L576-I647 HydrophobicContact CD1-CG1 4.22Å
577	N	89.2	Confident	80.4	Confident	53 Å²	53	46.3 Å²	46.3	28%	0.283	23%	0.234	S	C	.	.	H	α-helix	trans	-61.2	-39.3	173.1	-172.7	-85.4	0	0	0	111.8	M573 H574 H575 V579 V580 A581 I647 S650	M573-N577 VanDerWaalsContact O-CB 3.25Å; M573-N577 WeakPolarHBondContact O-CB 3.35Å; M573-N577 PolarHBondContact O-N 3.49Å; H574-N577 PolarHBondContact O-N 2.81Å; H575-N577 VanDerWaalsContact C-N 3.34Å; H575-N577 PolarHBondContact O-N 2.78Å; N577-V579 PolarHBondContact O-N 2.89Å; N577-V580 PolarHBondContact O-N 3.46Å; N577-A581 PolarHBondContact O-N 3.16Å; N577-I647 PolarHBondContact ND2-O 2.8Å; N577-S650 PolarHBondContact ND2-OG 3.23Å
578	R	86.9	Confident	77.8	Confident	83 Å²	83	49.8 Å²	49.8	31%	0.313	26%	0.259	S	S	.	.	H	α-helix	trans	-64.3	-37	172.1	-75.7	175.6	59.5	-155.4	-12.6	113	E468 H574 H575 L576 A581 H582	E468-R578 IonicContact OE1-CZ 3.45Å; E468-R578 VanDerWaalsContact OE1-CZ 3.29Å; E468-R578 IonicContact OE1-NE 3.27Å; E468-R578 IonicContact OE1-NH1 3.44Å; E468-R578 PolarHBondContact OE1-NH1 3.42Å; E468-R578 IonicContact OE1-NH2 2.76Å; E468-R578 IonicContact OE2-CZ 3.09Å; E468-R578 IonicContact OE2-NH1 3.87Å; E468-R578 PolarHBondContact OE2-NH1 3.26Å; E468-R578 IonicContact OE2-NH2 3.47Å; E468-R578 PolarHBondContact OE2-NH2 2.83Å; H574-R578 PolarHBondContact O-N 2.94Å; H575-R578 WeakPolarHBondContact O-CB 3.49Å; H575-R578 PolarHBondContact O-N 2.81Å; H575-R578 VanDerWaalsContact O-N 3.12Å; L576-R578 VanDerWaalsContact C-N 3.32Å; L576-R578 PolarHBondContact O-N 3.31Å; R578-A581 PolarHBondContact O-N 2.99Å; R578-H582 PolarHBondContact O-N 3.16Å; R578-H582 PolarHBondContact O-ND1 2.73Å
579	V	87	Confident	75	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.024	27%	0.271	C	S	.	.	H	α-helix	trans	-64.1	-39.4	172.2	176.5	0	0	0	0	111.2	L472 Y478 H575 L576 N577 H582 S583 M608 L613	L472-V579 HydrophobicContact CD2-CG2 4.12Å; Y478-V579 HydrophobicContact CE2-CG2 4.45Å; H575-V579 PolarHBondContact O-N 2.98Å; L576-V579 PolarHBondContact O-N 3Å; L576-V579 VanDerWaalsContact O-N 3.15Å; N577-V579 PolarHBondContact O-N 2.89Å; V579-H582 PolarHBondContact O-N 3.39Å; V579-S583 PolarHBondContact O-N 3.11Å; V579-M608 HydrophobicContact CG1-CE 4.15Å; V579-L613 HydrophobicContact CB-CD1 4.24Å; V579-L613 HydrophobicContact CG1-CD1 4.14Å
580	V	84.9	Confident	72.4	Confident	32 Å²	32	55.9 Å²	55.9	19%	0.194	30%	0.296	C	S	.	.	H	α-helix	trans	-64.4	-40.7	172.7	179.2	0	0	0	0	111.5	L576 N577 H582 S583 A610 L613 I647	L576-V580 WeakPolarHBondContact O-CG2 3.42Å; L576-V580 PolarHBondContact O-N 2.7Å; N577-V580 PolarHBondContact O-N 3.46Å; V580-H582 VanDerWaalsContact C-N 3.29Å; V580-H582 PolarHBondContact O-N 3.24Å; V580-S583 WeakPolarHBondContact O-CB 3.45Å; V580-S583 PolarHBondContact O-N 2.73Å; V580-S583 PolarHBondContact O-OG 3.37Å; V580-A610 HydrophobicContact CG2-CB 4.16Å; V580-L613 HydrophobicContact CG2-CD1 3.69Å; V580-I647 HydrophobicContact CG2-CG2 3.99Å
581	A	81.3	Confident	69.9	Low	65 Å²	65	55.4 Å²	55.4	54%	0.537	31%	0.313	S	S	.	.	H	α-helix	trans	-61	-38.1	176	0	0	0	0	0	112.2	N577 R578 S583	N577-A581 PolarHBondContact O-N 3.16Å; R578-A581 PolarHBondContact O-N 2.99Å; A581-S583 PolarHBondContact O-N 2.7Å
582	H	73.5	Confident	67.6	Low	53 Å²	53	60.2 Å²	60.2	25%	0.245	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-79.1	1.5	174.8	-65.3	71.3	0	0	0	113.2	L472 R578 V579 V580 A584 I585 N586	L472-H582 HydrophobicContact CB-CB 4.38Å; L472-H582 WeakPolarHBondContact O-CB 3.27Å; R578-H582 PolarHBondContact O-N 3.16Å; R578-H582 PolarHBondContact O-ND1 2.73Å; V579-H582 PolarHBondContact O-N 3.39Å; V580-H582 VanDerWaalsContact C-N 3.29Å; V580-H582 PolarHBondContact O-N 3.24Å; H582-A584 PolarHBondContact O-N 2.99Å; H582-I585 PolarHBondContact O-N 2.82Å; H582-N586 PolarHBondContact O-N 3.44Å; H582-N586 PolarHBondContact O-ND2 3.32Å
583	S	65.2	Low	65.2	Low	36 Å²	36	65.3 Å²	65.3	25%	0.252	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-59.6	-15.9	170.7	73.5	0	0	0	0	113.1	V579 V580 A581 K587	V579-S583 PolarHBondContact O-N 3.11Å; V580-S583 WeakPolarHBondContact O-CB 3.45Å; V580-S583 PolarHBondContact O-N 2.73Å; V580-S583 PolarHBondContact O-OG 3.37Å; A581-S583 PolarHBondContact O-N 2.7Å; S583-K587 WeakPolarHBondContact O-CG 3.27Å
584	A	53.5	Low	62.8	Low	51 Å²	51	67.1 Å²	67.1	42%	0.421	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-76.3	-24.5	171.8	0	0	0	0	0	114.7	H582 K587	H582-A584 PolarHBondContact O-N 2.99Å; A584-K587 VanDerWaalsContact O-CD 3.27Å; A584-K587 WeakPolarHBondContact O-CD 3.46Å; A584-K587 WeakPolarHBondContact O-CG 3.34Å
585	I	53.1	Low	60.6	Low	101 Å²	101	66.6 Å²	66.6	52%	0.518	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-31.6	-177.4	-53.7	179.2	0	0	0	110.8	D473 H582 K587	D473-I585 WeakPolarHBondContact OD1-CG2 3.34Å; H582-I585 PolarHBondContact O-N 2.82Å; I585-K587 PolarHBondContact O-N 3.21Å
586	N	49	Very low	58.2	Low	17 Å²	17	70.8 Å²	70.8	9%	0.091	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	0.4	162.5	-77.3	-74.5	0	0	0	115.1	L472 T474 H582 V588	L472-N586 PolarHBondContact O-ND2 3.35Å; L472-N586 PolarHBondContact O-OD1 2.87Å; T474-N586 VanDerWaalsContact C-OD1 3.29Å; T474-N586 PolarHBondContact N-OD1 3.48Å; T474-N586 PolarHBondContact O-OD1 3.04Å; T474-N586 VanDerWaalsContact O-OD1 3.11Å; H582-N586 PolarHBondContact O-N 3.44Å; H582-N586 PolarHBondContact O-ND2 3.32Å; N586-V588 VanDerWaalsContact C-N 3.27Å; N586-V588 PolarHBondContact O-N 2.7Å
587	K	39	Very low	55.6	Low	151 Å²	151	78 Å²	78	66%	0.657	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-17.8	-179.1	-72.1	-177.4	-176.5	146.4	0	114	S583 A584 I585 L589	S583-K587 WeakPolarHBondContact O-CG 3.27Å; A584-K587 VanDerWaalsContact O-CD 3.27Å; A584-K587 WeakPolarHBondContact O-CD 3.46Å; A584-K587 WeakPolarHBondContact O-CG 3.34Å; I585-K587 PolarHBondContact O-N 3.21Å; K587-L589 PolarHBondContact O-N 3.36Å
588	V	36.3	Very low	53.5	Low	127 Å²	127	80.2 Å²	80.2	77%	0.77	45%	0.446	S	S	*	.			trans	-83.3	55.6	-173.3	-159.4	0	0	0	0	112.6	N586	N586-V588 VanDerWaalsContact C-N 3.27Å; N586-V588 PolarHBondContact O-N 2.7Å
589	L	35.7	Very low	51.3	Low	50 Å²	50	77.3 Å²	77.3	26%	0.262	44%	0.441	S	S	.	.	S	Bend	trans	-79.4	135.4	139.1	-143.1	74.3	0	0	0	106.1	V475 K587 A591 I594 F606	V475-L589 HydrophobicContact CB-CD1 4.48Å; V475-L589 HydrophobicContact CG1-CD1 4.27Å; V475-L589 HydrophobicContact CG2-CD1 4.17Å; K587-L589 PolarHBondContact O-N 3.36Å; L589-A591 PolarHBondContact O-N 3.48Å; L589-A591 VanDerWaalsContact O-N 3.07Å; L589-I594 HydrophobicContact CB-CD1 4.26Å; L589-I594 HydrophobicContact CD2-CD1 3.96Å; L589-I594 HydrophobicContact CD2-CG1 3.73Å; L589-F606 HydrophobicContact CD2-CD1 4.46Å; L589-F606 HydrophobicContact CD2-CE1 3.96Å
590	P	38.6	Very low	49.1	Very low	80 Å²	80	84.1 Å²	84.1	52%	0.519	48%	0.475	S	S	.	.			trans	-55.6	121.8	174.7	21.7	-33.4	0	0	0	109.6	R592 L593	P590-R592 PolarHBondContact O-N 3.38Å; P590-L593 PolarHBondContact O-N 2.88Å
591	A	41.1	Very low	47.1	Very low	87 Å²	87	87.9 Å²	87.9	72%	0.719	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	3.5	-165.9	0	0	0	0	0	115.8	L589 T595	L589-A591 PolarHBondContact O-N 3.48Å; L589-A591 VanDerWaalsContact O-N 3.07Å; A591-T595 PolarHBondContact O-OG1 3.3Å
592	R	44	Very low	45.1	Very low	166 Å²	166	87.5 Å²	87.5	63%	0.626	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-17	176.4	-75.2	171.1	149.7	154	-6.6	114	P590	P590-R592 PolarHBondContact O-N 3.38Å
593	L	44.3	Very low	43.5	Very low	107 Å²	107	88.1 Å²	88.1	56%	0.56	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-25.1	179.6	-113.3	78.4	0	0	0	114	P590	P590-L593 PolarHBondContact O-N 2.88Å
594	I	43.1	Very low	42.3	Very low	38 Å²	38	95.6 Å²	95.6	20%	0.195	51%	0.511	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-24.1	-174.2	-55.9	180	0	0	0	111.4	L589 G599 V603	L589-I594 HydrophobicContact CB-CD1 4.26Å; L589-I594 HydrophobicContact CD2-CD1 3.96Å; L589-I594 HydrophobicContact CD2-CG1 3.73Å; I594-G599 WeakPolarHBondContact O-CA 3.46Å; I594-V603 HydrophobicContact CG2-CG2 3.61Å
595	T	43.4	Very low	41.8	Very low	97 Å²	97	96.2 Å²	96.2	60%	0.595	51%	0.507	S	S	*	.	H	α-helix	trans	-73.7	-39.2	-169.1	-42.2	0	0	0	0	113.7	A591 M597	A591-T595 PolarHBondContact O-OG1 3.3Å; T595-M597 PolarHBondContact O-N 2.94Å
596	C	40.7	Very low	41	Very low	89 Å²	89	94.1 Å²	94.1	60%	0.601	50%	0.495	S	S	*	.	H	α-helix	trans	-83.4	-3.7	-152.1	-57.6	0	0	0	0	117.9
597	M	38	Very low	40.8	Very low	150 Å²	150	98.3 Å²	98.3	74%	0.739	51%	0.512	S	S	*	.	H	α-helix	trans	-144.5	-28.3	-179.7	-77.1	-66.5	177.5	0	0	116.5	I165 T595	I165-M597 HydrophobicContact CD1-CE 4.11Å; T595-M597 PolarHBondContact O-N 2.94Å
598	L	45.2	Very low	41.7	Very low	101 Å²	101	91.4 Å²	91.4	53%	0.529	48%	0.482	S	S	.	.	H	α-helix	trans	-147.7	23.1	-172.6	-90.4	116.5	0	0	0	113.9	M600 I601 L602	L598-M600 PolarHBondContact O-N 3.15Å; L598-M600 VanDerWaalsContact O-N 3.09Å; L598-I601 PolarHBondContact O-N 3.06Å; L598-L602 HydrophobicContact CB-CD1 3.58Å; L598-L602 HydrophobicContact CB-CG 3.8Å; L598-L602 PolarHBondContact O-N 3.2Å
599	G	39.6	Very low	43.1	Very low	21 Å²	21	88.6 Å²	88.6	22%	0.216	46%	0.461	C	S	.	.	H	α-helix	trans	-48.9	-44.8	-157.9	0	0	0	0	0	117.4	I594 V603	I594-G599 WeakPolarHBondContact O-CA 3.46Å; G599-V603 VanDerWaalsContact O-CB 3.3Å; G599-V603 WeakPolarHBondContact O-CB 3.35Å; G599-V603 WeakPolarHBondContact O-CG2 3.41Å; G599-V603 PolarHBondContact O-N 2.91Å
600	M	41.6	Very low	45.3	Very low	148 Å²	148	86.7 Å²	86.7	73%	0.729	45%	0.452	S	S	*	.	H	α-helix	trans	-74.9	-32.2	-174.7	-71	-102	-83.1	0	0	114.1	L598	L598-M600 PolarHBondContact O-N 3.15Å; L598-M600 VanDerWaalsContact O-N 3.09Å
601	I	43.1	Very low	47.4	Very low	110 Å²	110	88.2 Å²	88.2	56%	0.564	45%	0.451	S	S	*	.	H	α-helix	trans	-82	-41.5	177.2	-65.3	172.5	0	0	0	109.5	L598 L605	L598-I601 PolarHBondContact O-N 3.06Å; I601-L605 HydrophobicContact CG2-CD1 3.96Å; I601-L605 WeakPolarHBondContact O-CG 3.45Å; I601-L605 PolarHBondContact O-N 2.99Å
602	L	40.2	Very low	49.4	Very low	57 Å²	57	84.7 Å²	84.7	30%	0.298	42%	0.42	S	S	.	.	H	α-helix	trans	-69.2	-37.5	178.3	-77.6	179.3	0	0	0	113.3	L598 R604 L605 F606	L598-L602 HydrophobicContact CB-CD1 3.58Å; L598-L602 HydrophobicContact CB-CG 3.8Å; L598-L602 PolarHBondContact O-N 3.2Å; L602-R604 PolarHBondContact O-N 3.29Å; L602-L605 CarbonylContact O-C 3.59Å; L602-L605 WeakPolarHBondContact O-CA 3.45Å; L602-L605 PolarHBondContact O-N 3.01Å; L602-F606 HydrophobicContact CB-CD2 4.24Å; L602-F606 HydrophobicContact CD2-CD2 4.14Å; L602-F606 HydrophobicContact CD2-CE2 4.11Å; L602-F606 VanDerWaalsContact O-CB 3.32Å; L602-F606 WeakPolarHBondContact O-CB 3.48Å; L602-F606 PolarHBondContact O-N 3.37Å
603	V	38.9	Very low	51.5	Low	67 Å²	67	76.8 Å²	76.8	41%	0.406	39%	0.39	S	S	.	.	H	α-helix	trans	-59.8	-44.5	-180	163.8	0	0	0	0	112.1	I594 G599 L605 F606 K607	I594-V603 HydrophobicContact CG2-CG2 3.61Å; G599-V603 VanDerWaalsContact O-CB 3.3Å; G599-V603 WeakPolarHBondContact O-CB 3.35Å; G599-V603 WeakPolarHBondContact O-CG2 3.41Å; G599-V603 PolarHBondContact O-N 2.91Å; V603-L605 PolarHBondContact O-N 3.03Å; V603-F606 PolarHBondContact O-N 2.97Å; V603-K607 PolarHBondContact O-N 3.15Å
604	R	40	Very low	53.6	Low	192 Å²	192	71.7 Å²	71.7	73%	0.725	36%	0.363	S	S	*	.	H	α-helix	trans	-68	-19	174.4	-83.1	-178.7	170.3	149.9	-2.5	113.4	L602 N612	L602-R604 PolarHBondContact O-N 3.29Å; R604-N612 PolarHBondContact O-ND2 3.49Å
605	L	42.4	Very low	55.8	Low	64 Å²	64	72.5 Å²	72.5	34%	0.335	37%	0.368	S	S	.	.	H	α-helix	trans	-99.1	-9.8	175.9	-67.5	172.2	0	0	0	114.4	R479 I601 L602 V603	R479-L605 PolarHBondContact NH1-O 3.23Å; I601-L605 HydrophobicContact CG2-CD1 3.96Å; I601-L605 WeakPolarHBondContact O-CG 3.45Å; I601-L605 PolarHBondContact O-N 2.99Å; L602-L605 CarbonylContact O-C 3.59Å; L602-L605 WeakPolarHBondContact O-CA 3.45Å; L602-L605 PolarHBondContact O-N 3.01Å; V603-L605 PolarHBondContact O-N 3.03Å
606	F	36.9	Very low	57.9	Low	57 Å²	57	70.8 Å²	70.8	25%	0.25	35%	0.354	C	S	.	.	H	α-helix	trans	-100	-27.6	-177.8	-108.6	-93.6	0	0	0	114.2	V475 R479 L589 L602 V603	V475-F606 HydrophobicContact CG1-CD1 3.76Å; V475-F606 HydrophobicContact CG1-CE1 3.64Å; R479-F606 VanDerWaalsContact NH1-CG 3.34Å; R479-F606 VanDerWaalsContact NH2-CZ 3.29Å; L589-F606 HydrophobicContact CD2-CD1 4.46Å; L589-F606 HydrophobicContact CD2-CE1 3.96Å; L602-F606 HydrophobicContact CB-CD2 4.24Å; L602-F606 HydrophobicContact CD2-CD2 4.14Å; L602-F606 HydrophobicContact CD2-CE2 4.11Å; L602-F606 VanDerWaalsContact O-CB 3.32Å; L602-F606 WeakPolarHBondContact O-CB 3.48Å; L602-F606 PolarHBondContact O-N 3.37Å; V603-F606 PolarHBondContact O-N 2.97Å
607	K	45.2	Very low	60.4	Low	105 Å²	105	66.6 Å²	66.6	46%	0.457	33%	0.325	S	S	.	.	S	Bend	trans	-64.4	138.8	165.2	-61.3	174.3	-179.8	-174.6	0	109.2	V603 E609 N612	V603-K607 PolarHBondContact O-N 3.15Å; K607-E609 HydrophobicContact CB-CG 3.87Å; K607-E609 HydrophobicContact CD-CG 3.94Å; K607-E609 WeakPolarHBondContact CD-OE1 3.4Å; K607-E609 WeakPolarHBondContact CE-OE1 3.34Å; K607-E609 IonicContact NZ-OE1 3.6Å; K607-E609 PolarHBondContact NZ-OE1 2.89Å; K607-E609 PolarHBondContact O-N 3.35Å; K607-N612 PolarHBondContact O-ND2 3.42Å
608	M	56.5	Low	62.9	Low	6 Å²	6	59.4 Å²	59.4	3%	0.03	29%	0.29	C	S	.	.			trans	-80.3	56	168	-63.9	-57.9	-68.9	0	0	110.8	V477 V579 L613	V477-M608 WeakPolarHBondContact O-CE 3.42Å; V579-M608 HydrophobicContact CG1-CE 4.15Å; M608-L613 HydrophobicContact CE-CD1 4.46Å; M608-L613 HydrophobicContact CE-CD2 3.37Å; M608-L613 HydrophobicContact CE-CG 3.81Å
609	E	67.4	Low	64.9	Low	68 Å²	68	56.8 Å²	56.8	32%	0.318	28%	0.279	S	S	.	.			trans	-66.3	149.2	168	-73.6	172.9	173.3	0	0	109.5	K607 K611 N612 L613	K607-E609 HydrophobicContact CB-CG 3.87Å; K607-E609 HydrophobicContact CD-CG 3.94Å; K607-E609 WeakPolarHBondContact CD-OE1 3.4Å; K607-E609 WeakPolarHBondContact CE-OE1 3.34Å; K607-E609 IonicContact NZ-OE1 3.6Å; K607-E609 PolarHBondContact NZ-OE1 2.89Å; K607-E609 PolarHBondContact O-N 3.35Å; E609-K611 PolarHBondContact O-N 3.34Å; E609-K611 VanDerWaalsContact O-N 3.09Å; E609-N612 PolarHBondContact O-N 2.85Å; E609-L613 PolarHBondContact O-N 3.16Å
610	A	80.1	Confident	67.2	Low	10 Å²	10	56.4 Å²	56.4	8%	0.083	27%	0.273	C	S	.	.	H	α-helix	trans	-52.1	-37.5	-176.9	0	0	0	0	0	112.8	V580 N612 L613 A614 E644 I647 V648	V580-A610 HydrophobicContact CG2-CB 4.16Å; A610-N612 VanDerWaalsContact C-N 3.32Å; A610-N612 PolarHBondContact O-N 2.78Å; A610-L613 PolarHBondContact O-N 3.01Å; A610-A614 WeakPolarHBondContact O-CB 3.39Å; A610-A614 PolarHBondContact O-N 2.94Å; A610-E644 HydrophobicContact CB-CG 4.4Å; A610-I647 HydrophobicContact CB-CB 4.24Å; A610-I647 HydrophobicContact CB-CG2 3.81Å; A610-V648 HydrophobicContact CB-CG2 3.69Å
611	K	83.2	Confident	69.6	Low	112 Å²	112	49.4 Å²	49.4	49%	0.487	24%	0.238	S	C	.	.	H	α-helix	trans	-51.6	-42.6	172.3	-165.6	159.6	-170	156.4	0	114.6	E609 A614 L615 E644	E609-K611 PolarHBondContact O-N 3.34Å; E609-K611 VanDerWaalsContact O-N 3.09Å; K611-A614 PolarHBondContact O-N 3.38Å; K611-L615 WeakPolarHBondContact O-CG 3.22Å; K611-L615 PolarHBondContact O-N 2.84Å; K611-E644 HydrophobicContact CB-CG 4.43Å; K611-E644 WeakPolarHBondContact CB-OE1 3.28Å
612	N	83.7	Confident	71.8	Confident	14 Å²	14	44.2 Å²	44.2	8%	0.075	21%	0.212	C	C	.	.	H	α-helix	trans	-75.7	-33.1	-177.2	-70.4	-28.3	0	0	0	111.7	R604 K607 E609 A610 M616	R604-N612 PolarHBondContact O-ND2 3.49Å; K607-N612 PolarHBondContact O-ND2 3.42Å; E609-N612 PolarHBondContact O-N 2.85Å; A610-N612 VanDerWaalsContact C-N 3.32Å; A610-N612 PolarHBondContact O-N 2.78Å; N612-M616 WeakPolarHBondContact O-CG 3.27Å; N612-M616 PolarHBondContact O-N 2.53Å
613	L	87.5	Confident	74.1	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-67.2	-41.3	167.7	-73.2	172.2	0	0	0	111.1	Y478 L576 V579 V580 M608 E609 A610 L615 M616 F617 I647	Y478-L613 HydrophobicContact CD2-CD2 3.8Å; Y478-L613 HydrophobicContact CG-CD2 4.26Å; L576-L613 HydrophobicContact CB-CD1 4.19Å; L576-L613 HydrophobicContact CD2-CD1 4.23Å; L576-L613 HydrophobicContact CD2-CD2 4.19Å; V579-L613 HydrophobicContact CB-CD1 4.24Å; V579-L613 HydrophobicContact CG1-CD1 4.14Å; V580-L613 HydrophobicContact CG2-CD1 3.69Å; M608-L613 HydrophobicContact CE-CD1 4.46Å; M608-L613 HydrophobicContact CE-CD2 3.37Å; M608-L613 HydrophobicContact CE-CG 3.81Å; E609-L613 PolarHBondContact O-N 3.16Å; A610-L613 PolarHBondContact O-N 3.01Å; L613-L615 VanDerWaalsContact C-N 3.34Å; L613-L615 PolarHBondContact O-N 3.31Å; L613-M616 PolarHBondContact O-N 3.41Å; L613-F617 WeakPolarHBondContact O-CD2 3.26Å; L613-F617 PolarHBondContact O-N 2.93Å; L613-I647 HydrophobicContact CB-CD1 3.89Å
614	A	89	Confident	76.2	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.8	-36.9	177.8	0	0	0	0	0	113.1	A610 K611 M616 F617 G618 C640 V643 E644	A610-A614 WeakPolarHBondContact O-CB 3.39Å; A610-A614 PolarHBondContact O-N 2.94Å; K611-A614 PolarHBondContact O-N 3.38Å; A614-M616 VanDerWaalsContact C-N 3.27Å; A614-M616 PolarHBondContact O-N 3.43Å; A614-F617 PolarHBondContact O-N 2.8Å; A614-G618 WeakPolarHBondContact O-CA 3.23Å; A614-G618 PolarHBondContact O-N 2.9Å; A614-C640 WeakPolarHBondContact CB-O 3.41Å; A614-V643 HydrophobicContact CB-CB 4.02Å; A614-V643 HydrophobicContact CB-CG1 3.9Å; A614-E644 HydrophobicContact CB-CB 3.77Å
615	L	88.5	Confident	77.7	Confident	54 Å²	54	35 Å²	35	28%	0.283	18%	0.178	S	C	.	.	H	α-helix	trans	-60.8	-32.9	170.2	-74.3	170.8	0	0	0	113.1	K611 L613 C640	K611-L615 WeakPolarHBondContact O-CG 3.22Å; K611-L615 PolarHBondContact O-N 2.84Å; L613-L615 VanDerWaalsContact C-N 3.34Å; L613-L615 PolarHBondContact O-N 3.31Å; L615-C640 HydrophobicContact CD2-CB 4.49Å
616	M	88.7	Confident	78.9	Confident	62 Å²	62	34.8 Å²	34.8	31%	0.305	19%	0.192	S	C	.	.	H	α-helix	trans	-84.4	-27.4	179	-59.7	-49.5	-57.5	0	0	113.6	Y478 R479 N612 L613 A614	Y478-M616 WeakPolarHBondContact O-CE 3.32Å; R479-M616 HydrophobicContact CB-CG 4.38Å; R479-M616 HydrophobicContact CG-SD 4.45Å; N612-M616 WeakPolarHBondContact O-CG 3.27Å; N612-M616 PolarHBondContact O-N 2.53Å; L613-M616 PolarHBondContact O-N 3.41Å; A614-M616 VanDerWaalsContact C-N 3.27Å; A614-M616 PolarHBondContact O-N 3.43Å
617	F	92.4	Very high	80.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-103	-27.3	-176	-83.9	-84.1	0	0	0	114.6	Y478 K519 F522 L572 L576 L613 A614 S620 L621 V643	Y478-F617 AromaticContact CD1-CE2 3.65Å; Y478-F617 HydrophobicContact CD1-CE2 3.65Å; Y478-F617 AromaticContact CD1-CZ 3.56Å; Y478-F617 HydrophobicContact CD1-CZ 3.56Å; Y478-F617 HydrophobicContact CD2-CE2 4.11Å; Y478-F617 HydrophobicContact CE1-CE2 4.17Å; Y478-F617 AromaticContact CE1-CZ 3.71Å; Y478-F617 HydrophobicContact CE1-CZ 3.71Å; Y478-F617 AromaticContact CG-CE2 3.65Å; Y478-F617 HydrophobicContact CG-CE2 3.65Å; Y478-F617 HydrophobicContact CG-CZ 4.06Å; K519-F617 HydrophobicContact CG-CE1 4.25Å; K519-F617 HydrophobicContact CG-CZ 4.17Å; F522-F617 HydrophobicContact CD2-CE1 4.23Å; F522-F617 HydrophobicContact CE2-CE1 4.37Å; L572-F617 HydrophobicContact CD1-CE1 4.17Å; L572-F617 HydrophobicContact CD1-CZ 4.37Å; L572-F617 HydrophobicContact CD2-CD1 4.33Å; L572-F617 HydrophobicContact CD2-CE1 4.27Å; L576-F617 HydrophobicContact CD1-CD2 3.9Å; L576-F617 HydrophobicContact CD1-CE2 4.01Å; L576-F617 HydrophobicContact CD1-CG 4.21Å; L576-F617 HydrophobicContact CD1-CZ 4.41Å; L576-F617 HydrophobicContact CD2-CD2 4.2Å; L576-F617 HydrophobicContact CD2-CE2 3.57Å; L576-F617 HydrophobicContact CD2-CZ 4Å; L576-F617 HydrophobicContact CG-CE2 4.44Å; L613-F617 WeakPolarHBondContact O-CD2 3.26Å; L613-F617 PolarHBondContact O-N 2.93Å; A614-F617 PolarHBondContact O-N 2.8Å; F617-S620 CarbonylContact O-C 3.54Å; F617-S620 WeakPolarHBondContact O-CA 3.37Å; F617-S620 WeakPolarHBondContact O-CB 3.42Å; F617-S620 PolarHBondContact O-N 3.06Å; F617-L621 HydrophobicContact CB-CD1 3.96Å; F617-L621 HydrophobicContact CB-CG 4.19Å; F617-L621 HydrophobicContact CD1-CD1 4.08Å; F617-L621 HydrophobicContact CD1-CD2 4.3Å; F617-L621 HydrophobicContact CD1-CG 4.12Å; F617-L621 HydrophobicContact CG-CD1 4.4Å; F617-L621 WeakPolarHBondContact O-CG 3.15Å; F617-L621 PolarHBondContact O-N 2.69Å; F617-V643 HydrophobicContact CB-CG1 4.2Å
618	G	90	Very high	81.5	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-42.1	-67.9	-177.6	0	0	0	0	0	114.2	A614 S620 L621 V622	A614-G618 WeakPolarHBondContact O-CA 3.23Å; A614-G618 PolarHBondContact O-N 2.9Å; G618-S620 PolarHBondContact O-N 2.84Å; G618-S620 VanDerWaalsContact O-N 3.09Å; G618-L621 PolarHBondContact O-N 3.07Å; G618-V622 PolarHBondContact O-N 3.22Å
619	P	88.2	Confident	82.2	Confident	45 Å²	45	46 Å²	46	29%	0.292	25%	0.251	S	S	.	.	H	α-helix	trans	-69.6	-3.8	179.7	30	-38.5	0	0	0	114.8	R623 M636	P619-R623 WeakPolarHBondContact O-CG 3.39Å; P619-M636 HydrophobicContact CB-CE 3.81Å; P619-M636 HydrophobicContact CB-SD 3.76Å; P619-M636 HydrophobicContact CG-CE 4.2Å; P619-M636 HydrophobicContact CG-SD 3.59Å; P619-M636 VanDerWaalsContact CG-SD 3.59Å
620	S	87.7	Confident	82.8	Confident	13 Å²	13	47.6 Å²	47.6	9%	0.091	27%	0.265	C	S	.	.	H	α-helix	trans	-96.3	-32.7	173.8	-62.3	0	0	0	0	112.4	F617 G618 R623	F617-S620 CarbonylContact O-C 3.54Å; F617-S620 WeakPolarHBondContact O-CA 3.37Å; F617-S620 WeakPolarHBondContact O-CB 3.42Å; F617-S620 PolarHBondContact O-N 3.06Å; G618-S620 PolarHBondContact O-N 2.84Å; G618-S620 VanDerWaalsContact O-N 3.09Å; S620-R623 PolarHBondContact O-NH1 2.75Å
621	L	92	Very high	82.7	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-95.8	-25.8	-179.4	-58.7	-176.2	0	0	0	113.7	F522 L529 L530 L572 M573 F617 G618 V643	F522-L621 HydrophobicContact CB-CD2 4Å; F522-L621 HydrophobicContact CD1-CD2 3.92Å; F522-L621 HydrophobicContact CD2-CD2 4.16Å; F522-L621 HydrophobicContact CE1-CD2 4.45Å; F522-L621 HydrophobicContact CG-CD2 3.76Å; L529-L621 HydrophobicContact CB-CD2 4.1Å; L529-L621 HydrophobicContact CD2-CD2 3.89Å; L529-L621 PolarHBondContact N-O 2.67Å; L530-L621 PolarHBondContact N-O 3.25Å; L572-L621 HydrophobicContact CD2-CD1 3.71Å; L572-L621 HydrophobicContact CD2-CD2 3.81Å; L572-L621 HydrophobicContact CD2-CG 4.4Å; M573-L621 HydrophobicContact CE-CD1 3.61Å; F617-L621 HydrophobicContact CB-CD1 3.96Å; F617-L621 HydrophobicContact CB-CG 4.19Å; F617-L621 HydrophobicContact CD1-CD1 4.08Å; F617-L621 HydrophobicContact CD1-CD2 4.3Å; F617-L621 HydrophobicContact CD1-CG 4.12Å; F617-L621 HydrophobicContact CG-CD1 4.4Å; F617-L621 WeakPolarHBondContact O-CG 3.15Å; F617-L621 PolarHBondContact O-N 2.69Å; G618-L621 PolarHBondContact O-N 3.07Å; L621-V643 HydrophobicContact CD1-CG1 4.5Å; L621-V643 HydrophobicContact CD1-CG2 4.33Å
622	V	90.1	Very high	82.3	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.006	26%	0.259	C	S	.	.			trans	-125.8	103	-172.8	-160.5	0	0	0	0	108.6	L530 Y535 G618 Q639 V643	L530-V622 HydrophobicContact CD1-CB 4.47Å; L530-V622 HydrophobicContact CD1-CG1 4.22Å; L530-V622 HydrophobicContact CD1-CG2 3.63Å; L530-V622 HydrophobicContact CG-CG2 4.2Å; Y535-V622 HydrophobicContact CD2-CG1 3.88Å; Y535-V622 HydrophobicContact CE2-CG1 3.9Å; G618-V622 PolarHBondContact O-N 3.22Å; V622-Q639 HydrophobicContact CB-CB 4.09Å; V622-Q639 HydrophobicContact CB-CG 3.92Å; V622-Q639 HydrophobicContact CG1-CB 4.41Å; V622-Q639 HydrophobicContact CG1-CG 3.91Å; V622-Q639 VanDerWaalsContact O-CD 3.32Å; V622-Q639 PolarHBondContact O-OE1 3.43Å; V622-V643 HydrophobicContact CG2-CG2 3.8Å
623	R	87	Confident	82	Confident	38 Å²	38	48.7 Å²	48.7	14%	0.143	28%	0.278	C	S	.	.			trans	-133.5	142	-178.3	-51.3	-172.9	-56	-106.1	10.8	110	F522 L525 P526 P528 Y535 P619 S620	F522-R623 PolarHBondContact O-NH1 2.89Å; L525-R623 PolarHBondContact O-NH2 3.33Å; P526-R623 PolarHBondContact O-NH2 3.34Å; P528-R623 HydrophobicContact CB-CB 4.05Å; P528-R623 HydrophobicContact CB-CG 4.12Å; P528-R623 HydrophobicContact CG-CB 4.03Å; Y535-R623 WeakPolarHBondContact CD2-O 3.36Å; P619-R623 WeakPolarHBondContact O-CG 3.39Å; S620-R623 PolarHBondContact O-NH1 2.75Å
624	P	83.1	Confident	81.9	Confident	17 Å²	17	50.7 Å²	50.7	11%	0.11	29%	0.29	C	S	.	.			trans	-68.6	160.5	171.8	31.1	-34.6	0	0	0	110.7	Y535 A631 M632	Y535-P624 HydrophobicContact CD1-CB 4.08Å; Y535-P624 HydrophobicContact CE1-CB 3.78Å; Y535-P624 HydrophobicContact CE2-CB 4.3Å; Y535-P624 VanDerWaalsContact CE2-N 3.34Å; Y535-P624 HydrophobicContact CG-CB 4.47Å; P624-A631 HydrophobicContact CB-CB 4.33Å; P624-A631 HydrophobicContact CG-CB 4.17Å; P624-M632 HydrophobicContact CG-CG 3.58Å
625	S	73	Confident	81.7	Confident	68 Å²	68	52.3 Å²	52.3	48%	0.476	30%	0.298	S	S	.	.	S	Bend	trans	-67.1	127.5	167.7	-12.4	0	0	0	0	110.2	S532	S532-S625 PolarHBondContact O-OG 3.21Å
626	G	67.6	Low	81.6	Confident	60 Å²	60	53.2 Å²	53.2	62%	0.619	30%	0.301	S	S	*	.	S	Bend	trans	78.8	171.4	177.7	0	0	0	0	0	115.5	N628	G626-N628 PolarHBondContact O-N 3.4Å
627	E	63.4	Low	81.5	Confident	183 Å²	183	52.5 Å²	52.5	86%	0.855	30%	0.302	S	S	*	.	S	Bend	trans	-75.4	34.8	-173.7	-57.5	-163.9	141.7	0	0	114.4	M629	E627-M629 PolarHBondContact O-N 2.97Å
628	N	73.5	Confident	81.4	Confident	83 Å²	83	52.6 Å²	52.6	44%	0.444	30%	0.303	S	S	.	.			trans	-72.6	80.7	177.8	-168.8	-21.7	0	0	0	110.5	G626 V630 A631 M632	G626-N628 PolarHBondContact O-N 3.4Å; N628-V630 PolarHBondContact O-N 3.39Å; N628-V630 WeakPolarHBondContact OD1-CB 3.49Å; N628-V630 PolarHBondContact OD1-N 3.4Å; N628-A631 HydrophobicContact CB-CB 4.01Å; N628-A631 PolarHBondContact O-N 2.77Å; N628-A631 PolarHBondContact OD1-N 2.77Å; N628-M632 PolarHBondContact O-N 2.92Å
629	M	71	Confident	81.4	Confident	137 Å²	137	52.7 Å²	52.7	68%	0.675	30%	0.304	S	S	*	.	H	α-helix	trans	-57.7	-32.2	177.3	-70.6	-173.5	-79.7	0	0	112.2	E627 M632 V633	E627-M629 PolarHBondContact O-N 2.97Å; M629-M632 HydrophobicContact CG-CE 4.04Å; M629-M632 PolarHBondContact O-N 3.09Å; M629-V633 WeakPolarHBondContact O-CB 3.46Å; M629-V633 WeakPolarHBondContact O-CG2 3.34Å; M629-V633 PolarHBondContact O-N 3.32Å
630	V	78.7	Confident	81.5	Confident	102 Å²	102	51.1 Å²	51.1	62%	0.618	29%	0.294	S	S	*	.	H	α-helix	trans	-62.5	-49.7	174.2	-175.6	0	0	0	0	109.4	N628 V633 T634	N628-V630 PolarHBondContact O-N 3.39Å; N628-V630 WeakPolarHBondContact OD1-CB 3.49Å; N628-V630 PolarHBondContact OD1-N 3.4Å; V630-V633 PolarHBondContact O-N 3.36Å; V630-T634 HydrophobicContact CG1-CG2 4.06Å; V630-T634 WeakPolarHBondContact O-CB 3.41Å; V630-T634 VanDerWaalsContact O-CG2 3.32Å; V630-T634 WeakPolarHBondContact O-CG2 3.27Å; V630-T634 PolarHBondContact O-N 3.11Å; V630-T634 PolarHBondContact O-OG1 3.45Å
631	A	78.4	Confident	81.7	Confident	14 Å²	14	55.5 Å²	55.5	12%	0.116	31%	0.311	C	S	.	.	H	α-helix	trans	-63.9	-40.5	176.6	0	0	0	0	0	113.4	P624 N628 V633 T634 H635	P624-A631 HydrophobicContact CB-CB 4.33Å; P624-A631 HydrophobicContact CG-CB 4.17Å; N628-A631 HydrophobicContact CB-CB 4.01Å; N628-A631 PolarHBondContact O-N 2.77Å; N628-A631 PolarHBondContact OD1-N 2.77Å; A631-V633 VanDerWaalsContact C-N 3.29Å; A631-V633 PolarHBondContact O-N 3.19Å; A631-T634 WeakPolarHBondContact CA-OG1 3.2Å; A631-T634 PolarHBondContact O-N 3.09Å; A631-H635 WeakPolarHBondContact O-CB 3.18Å; A631-H635 PolarHBondContact O-CD2 2.91Å; A631-H635 VanDerWaalsContact O-CD2 3.23Å; A631-H635 PolarHBondContact O-N 3.32Å; A631-H635 VanDerWaalsContact O-N 3.07Å
632	M	74.9	Confident	81.7	Confident	67 Å²	67	55.4 Å²	55.4	33%	0.33	31%	0.311	S	S	.	.	H	α-helix	trans	-61.7	-38.2	175.5	-76.8	-167.2	-73.6	0	0	112.2	P624 N628 M629	P624-M632 HydrophobicContact CG-CG 3.58Å; N628-M632 PolarHBondContact O-N 2.92Å; M629-M632 HydrophobicContact CG-CE 4.04Å; M629-M632 PolarHBondContact O-N 3.09Å
633	V	78.1	Confident	81.9	Confident	78 Å²	78	55.4 Å²	55.4	47%	0.473	31%	0.311	S	S	.	.	H	α-helix	trans	-67.6	-59	170	170.2	0	0	0	0	109.5	Y293 M629 V630 A631 H635 M636	Y293-V633 HydrophobicContact CD1-CG1 3.44Å; Y293-V633 VanDerWaalsContact CD1-CG1 3.44Å; Y293-V633 WeakPolarHBondContact CD1-O 3.14Å; Y293-V633 HydrophobicContact CE1-CG1 4.07Å; Y293-V633 WeakPolarHBondContact CE1-O 3.37Å; Y293-V633 HydrophobicContact CG-CG1 4.06Å; Y293-V633 PolarHBondContact OH-O 3Å; M629-V633 WeakPolarHBondContact O-CB 3.46Å; M629-V633 WeakPolarHBondContact O-CG2 3.34Å; M629-V633 PolarHBondContact O-N 3.32Å; V630-V633 PolarHBondContact O-N 3.36Å; A631-V633 VanDerWaalsContact C-N 3.29Å; A631-V633 PolarHBondContact O-N 3.19Å; V633-H635 PolarHBondContact O-N 2.89Å; V633-M636 PolarHBondContact O-N 2.88Å
634	T	84	Confident	82.1	Confident	42 Å²	42	56 Å²	56	26%	0.258	32%	0.315	S	S	.	.	H	α-helix	trans	-68.5	-7.5	-166.6	60.3	0	0	0	0	116	Y293 V630 A631	Y293-T634 HydrophobicContact CD2-CG2 4.12Å; Y293-T634 VanDerWaalsContact CE2-CA 3.45Å; Y293-T634 WeakPolarHBondContact CE2-O 3.23Å; Y293-T634 HydrophobicContact CG-CG2 4.2Å; V630-T634 HydrophobicContact CG1-CG2 4.06Å; V630-T634 WeakPolarHBondContact O-CB 3.41Å; V630-T634 VanDerWaalsContact O-CG2 3.32Å; V630-T634 WeakPolarHBondContact O-CG2 3.27Å; V630-T634 PolarHBondContact O-N 3.11Å; V630-T634 PolarHBondContact O-OG1 3.45Å; A631-T634 WeakPolarHBondContact CA-OG1 3.2Å; A631-T634 PolarHBondContact O-N 3.09Å
635	H	85.8	Confident	82.4	Confident	33 Å²	33	56.3 Å²	56.3	15%	0.153	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	1.6	174.4	-65.9	-67.8	0	0	0	114.2	Y535 I539 R543 A631 V633 S637 D638 Q639	Y535-H635 WeakPolarHBondContact OH-CB 3.13Å; I539-H635 HydrophobicContact CD1-CB 3.82Å; I539-H635 WeakPolarHBondContact CG2-ND1 3.37Å; R543-H635 PolarHBondContact NH2-CE1 3.13Å; R543-H635 VanDerWaalsContact NH2-CE1 3.31Å; R543-H635 PolarHBondContact NH2-ND1 2.91Å; A631-H635 WeakPolarHBondContact O-CB 3.18Å; A631-H635 PolarHBondContact O-CD2 2.91Å; A631-H635 VanDerWaalsContact O-CD2 3.23Å; A631-H635 PolarHBondContact O-N 3.32Å; A631-H635 VanDerWaalsContact O-N 3.07Å; V633-H635 PolarHBondContact O-N 2.89Å; H635-S637 VanDerWaalsContact C-N 3.29Å; H635-S637 PolarHBondContact O-N 3Å; H635-S637 VanDerWaalsContact O-N 3.08Å; H635-D638 IonicContact ND1-OD2 2.71Å; H635-D638 PolarHBondContact ND1-OD2 3.39Å; H635-D638 WeakPolarHBondContact O-CA 3.44Å; H635-D638 WeakPolarHBondContact O-CB 3.13Å; H635-D638 PolarHBondContact O-N 3.29Å; H635-Q639 HydrophobicContact CB-CG 4.26Å; H635-Q639 VanDerWaalsContact O-CG 3.3Å; H635-Q639 WeakPolarHBondContact O-CG 3.41Å; H635-Q639 PolarHBondContact O-N 3.48Å
636	M	85.7	Confident	83.3	Confident	73 Å²	73	53.1 Å²	53.1	36%	0.36	30%	0.295	S	S	.	.	H	α-helix	trans	-27.1	-58.7	167.1	151.5	-174.6	60.4	0	0	115.7	Y293 P619 V633 Q639 C640	Y293-M636 VanDerWaalsContact OH-CA 3.23Å; Y293-M636 WeakPolarHBondContact OH-CA 3.25Å; Y293-M636 PolarHBondContact OH-N 2.89Å; P619-M636 HydrophobicContact CB-CE 3.81Å; P619-M636 HydrophobicContact CB-SD 3.76Å; P619-M636 HydrophobicContact CG-CE 4.2Å; P619-M636 HydrophobicContact CG-SD 3.59Å; P619-M636 VanDerWaalsContact CG-SD 3.59Å; V633-M636 PolarHBondContact O-N 2.88Å; M636-Q639 HydrophobicContact CB-CB 4.32Å; M636-Q639 VanDerWaalsContact CB-OE1 3.29Å; M636-C640 WeakPolarHBondContact O-CB 3.11Å; M636-C640 PolarHBondContact O-N 3.41Å; M636-C640 VanDerWaalsContact O-N 3.14Å; M636-C640 PolarHBondContact O-SG 2.87Å
637	S	86.2	Confident	84.4	Confident	47 Å²	47	50.3 Å²	50.3	33%	0.329	27%	0.266	S	S	.	.	H	α-helix	trans	-75.2	-31.3	-175.2	53.1	0	0	0	0	113	Y293 H635 K641	Y293-S637 PolarHBondContact OH-N 3.15Å; Y293-S637 PolarHBondContact OH-OG 3Å; H635-S637 VanDerWaalsContact C-N 3.29Å; H635-S637 PolarHBondContact O-N 3Å; H635-S637 VanDerWaalsContact O-N 3.08Å; S637-K641 WeakPolarHBondContact O-CB 3.12Å; S637-K641 VanDerWaalsContact O-CG 3.24Å; S637-K641 WeakPolarHBondContact O-CG 3.47Å; S637-K641 PolarHBondContact O-N 3.17Å; S637-K641 VanDerWaalsContact O-N 3.11Å
638	D	90.8	Very high	85.5	Confident	3 Å²	3	45 Å²	45	2%	0.016	25%	0.245	C	C	.	.	H	α-helix	trans	-71.2	-49.9	173.6	-69.6	-36.5	0	0	0	110.4	I539 N542 R543 H635 C640 K641 I642	I539-D638 HydrophobicContact CD1-CB 3.6Å; N542-D638 PolarHBondContact ND2-OD1 2.87Å; R543-D638 IonicContact CZ-OD2 3.63Å; R543-D638 IonicContact NE-OD2 2.78Å; R543-D638 PolarHBondContact NE-OD2 3.1Å; R543-D638 VanDerWaalsContact NE-OD2 3.09Å; R543-D638 IonicContact NH2-OD2 3.22Å; R543-D638 PolarHBondContact NH2-OD2 3.25Å; H635-D638 IonicContact ND1-OD2 2.71Å; H635-D638 PolarHBondContact ND1-OD2 3.39Å; H635-D638 WeakPolarHBondContact O-CA 3.44Å; H635-D638 WeakPolarHBondContact O-CB 3.13Å; H635-D638 PolarHBondContact O-N 3.29Å; D638-C640 VanDerWaalsContact C-N 3.29Å; D638-C640 PolarHBondContact O-N 2.96Å; D638-K641 PolarHBondContact O-N 2.82Å; D638-K641 VanDerWaalsContact O-N 3.09Å; D638-I642 WeakPolarHBondContact O-CD1 3.47Å; D638-I642 VanDerWaalsContact O-CG1 3.25Å; D638-I642 WeakPolarHBondContact O-CG1 3.38Å; D638-I642 PolarHBondContact O-N 3.15Å
639	Q	90.5	Very high	86.2	Confident	2 Å²	2	46 Å²	46	1%	0.009	24%	0.244	C	C	.	.	H	α-helix	trans	-53.1	-44.6	176.3	-66.7	170.1	8.9	0	0	111.8	Y535 I539 V622 H635 M636 V643	Y535-Q639 HydrophobicContact CE2-CG 4.45Å; Y535-Q639 PolarHBondContact OH-NE2 2.69Å; I539-Q639 HydrophobicContact CD1-CG 4.41Å; V622-Q639 HydrophobicContact CB-CB 4.09Å; V622-Q639 HydrophobicContact CB-CG 3.92Å; V622-Q639 HydrophobicContact CG1-CB 4.41Å; V622-Q639 HydrophobicContact CG1-CG 3.91Å; V622-Q639 VanDerWaalsContact O-CD 3.32Å; V622-Q639 PolarHBondContact O-OE1 3.43Å; H635-Q639 HydrophobicContact CB-CG 4.26Å; H635-Q639 VanDerWaalsContact O-CG 3.3Å; H635-Q639 WeakPolarHBondContact O-CG 3.41Å; H635-Q639 PolarHBondContact O-N 3.48Å; M636-Q639 HydrophobicContact CB-CB 4.32Å; M636-Q639 VanDerWaalsContact CB-OE1 3.29Å; Q639-V643 PolarHBondContact O-N 3.03Å; Q639-V643 VanDerWaalsContact O-N 3.16Å
640	C	91.1	Very high	86.9	Confident	12 Å²	12	39.8 Å²	39.8	8%	0.081	21%	0.214	C	C	.	.	H	α-helix	trans	-67.8	-43.2	176	-67.9	0	0	0	0	112.6	A614 L615 M636 D638 I642 V643 E644	A614-C640 WeakPolarHBondContact CB-O 3.41Å; L615-C640 HydrophobicContact CD2-CB 4.49Å; M636-C640 WeakPolarHBondContact O-CB 3.11Å; M636-C640 PolarHBondContact O-N 3.41Å; M636-C640 VanDerWaalsContact O-N 3.14Å; M636-C640 PolarHBondContact O-SG 2.87Å; D638-C640 VanDerWaalsContact C-N 3.29Å; D638-C640 PolarHBondContact O-N 2.96Å; C640-I642 VanDerWaalsContact C-N 3.32Å; C640-I642 PolarHBondContact O-N 3.21Å; C640-V643 PolarHBondContact O-N 3.23Å; C640-E644 VanDerWaalsContact O-CB 3.31Å; C640-E644 WeakPolarHBondContact O-CB 3.37Å; C640-E644 PolarHBondContact O-N 3.33Å
641	K	90.6	Very high	87	Confident	104 Å²	104	39.2 Å²	39.2	45%	0.452	22%	0.215	S	C	.	.	H	α-helix	trans	-62.2	-37.4	175.9	-78	171.2	176.6	-178.5	0	112.8	N542 S637 D638 E644 S645	N542-K641 WeakPolarHBondContact OD1-CB 3.11Å; S637-K641 WeakPolarHBondContact O-CB 3.12Å; S637-K641 VanDerWaalsContact O-CG 3.24Å; S637-K641 WeakPolarHBondContact O-CG 3.47Å; S637-K641 PolarHBondContact O-N 3.17Å; S637-K641 VanDerWaalsContact O-N 3.11Å; D638-K641 PolarHBondContact O-N 2.82Å; D638-K641 VanDerWaalsContact O-N 3.09Å; K641-E644 PolarHBondContact O-N 2.71Å; K641-S645 WeakPolarHBondContact O-CB 3.4Å; K641-S645 PolarHBondContact O-N 2.7Å; K641-S645 PolarHBondContact O-OG 3.33Å
642	I	93	Very high	87.3	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.6	-53.1	175.6	-68.1	156.3	0	0	0	109.5	L530 F538 I539 N542 L554 D638 C640 E644 S645 L646	L530-I642 HydrophobicContact CD1-CG2 3.95Å; F538-I642 HydrophobicContact CB-CD1 4.17Å; F538-I642 HydrophobicContact CD1-CG2 4.47Å; F538-I642 WeakPolarHBondContact O-CD1 3.47Å; I539-I642 HydrophobicContact CD1-CD1 3.96Å; N542-I642 HydrophobicContact CB-CD1 4.03Å; N542-I642 HydrophobicContact CB-CG1 3.68Å; L554-I642 HydrophobicContact CD2-CG1 4.42Å; D638-I642 WeakPolarHBondContact O-CD1 3.47Å; D638-I642 VanDerWaalsContact O-CG1 3.25Å; D638-I642 WeakPolarHBondContact O-CG1 3.38Å; D638-I642 PolarHBondContact O-N 3.15Å; C640-I642 VanDerWaalsContact C-N 3.32Å; C640-I642 PolarHBondContact O-N 3.21Å; I642-E644 PolarHBondContact O-N 2.92Å; I642-S645 PolarHBondContact O-N 3.16Å; I642-L646 HydrophobicContact CG2-CD1 4.01Å; I642-L646 HydrophobicContact CG2-CG 4.49Å; I642-L646 VanDerWaalsContact O-CG 3.31Å; I642-L646 WeakPolarHBondContact O-CG 3.22Å; I642-L646 PolarHBondContact O-N 3.35Å
643	V	92.9	Very high	87.7	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-65	-37.5	179.3	175.5	0	0	0	0	112.1	M573 A614 F617 L621 V622 Q639 C640 S645 L646 I647	M573-V643 HydrophobicContact CE-CG1 4.21Å; A614-V643 HydrophobicContact CB-CB 4.02Å; A614-V643 HydrophobicContact CB-CG1 3.9Å; F617-V643 HydrophobicContact CB-CG1 4.2Å; L621-V643 HydrophobicContact CD1-CG1 4.5Å; L621-V643 HydrophobicContact CD1-CG2 4.33Å; V622-V643 HydrophobicContact CG2-CG2 3.8Å; Q639-V643 PolarHBondContact O-N 3.03Å; Q639-V643 VanDerWaalsContact O-N 3.16Å; C640-V643 PolarHBondContact O-N 3.23Å; V643-S645 PolarHBondContact O-N 2.84Å; V643-L646 PolarHBondContact O-N 2.93Å; V643-I647 HydrophobicContact CG1-CD1 3.88Å; V643-I647 HydrophobicContact CG1-CG1 4.36Å; V643-I647 VanDerWaalsContact O-CG1 3.28Å; V643-I647 WeakPolarHBondContact O-CG1 3.42Å; V643-I647 PolarHBondContact O-N 2.82Å
644	E	91.4	Very high	88	Confident	51 Å²	51	37.2 Å²	37.2	24%	0.238	19%	0.193	C	C	.	.	H	α-helix	trans	-58.7	-46.7	173.7	-174.6	171.7	-176.2	0	0	111	A610 K611 A614 C640 K641 I642 I647 V648	A610-E644 HydrophobicContact CB-CG 4.4Å; K611-E644 HydrophobicContact CB-CG 4.43Å; K611-E644 WeakPolarHBondContact CB-OE1 3.28Å; A614-E644 HydrophobicContact CB-CB 3.77Å; C640-E644 VanDerWaalsContact O-CB 3.31Å; C640-E644 WeakPolarHBondContact O-CB 3.37Å; C640-E644 PolarHBondContact O-N 3.33Å; K641-E644 PolarHBondContact O-N 2.71Å; I642-E644 PolarHBondContact O-N 2.92Å; E644-I647 PolarHBondContact O-N 2.96Å; E644-V648 WeakPolarHBondContact O-CG2 3.02Å; E644-V648 PolarHBondContact O-N 2.85Å
645	S	90.2	Very high	87.4	Confident	22 Å²	22	38 Å²	38	15%	0.154	20%	0.2	C	C	.	.	H	α-helix	trans	-63.9	-40.2	176.5	-55.9	0	0	0	0	112.5	K641 I642 V643 Y649	K641-S645 WeakPolarHBondContact O-CB 3.4Å; K641-S645 PolarHBondContact O-N 2.7Å; K641-S645 PolarHBondContact O-OG 3.33Å; I642-S645 PolarHBondContact O-N 3.16Å; V643-S645 PolarHBondContact O-N 2.84Å; S645-Y649 WeakPolarHBondContact O-CB 3.45Å; S645-Y649 WeakPolarHBondContact O-CD2 3.08Å; S645-Y649 PolarHBondContact O-N 3.39Å
646	L	92	Very high	85.9	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-67.7	-34	177.7	-69.1	174.9	0	0	0	112.9	L530 V558 M573 I642 V643 S650	L530-L646 HydrophobicContact CD1-CD1 4.29Å; L530-L646 HydrophobicContact CD2-CD1 4.32Å; V558-L646 HydrophobicContact CG2-CD2 3.64Å; M573-L646 HydrophobicContact CE-CB 4.34Å; M573-L646 HydrophobicContact CG-CB 4.3Å; M573-L646 HydrophobicContact SD-CB 3.86Å; I642-L646 HydrophobicContact CG2-CD1 4.01Å; I642-L646 HydrophobicContact CG2-CG 4.49Å; I642-L646 VanDerWaalsContact O-CG 3.31Å; I642-L646 WeakPolarHBondContact O-CG 3.22Å; I642-L646 PolarHBondContact O-N 3.35Å; V643-L646 PolarHBondContact O-N 2.93Å; L646-S650 VanDerWaalsContact O-CA 3.24Å; L646-S650 WeakPolarHBondContact O-CA 3.24Å; L646-S650 VanDerWaalsContact O-CB 3.27Å; L646-S650 WeakPolarHBondContact O-CB 3.47Å; L646-S650 PolarHBondContact O-N 3.04Å
647	I	90.7	Very high	83.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-70.8	-48.9	174.8	-66.8	166.7	0	0	0	110.7	M573 L576 N577 V580 A610 L613 V643 E644 S650	M573-I647 HydrophobicContact SD-CG1 3.56Å; M573-I647 VanDerWaalsContact SD-CG1 3.56Å; L576-I647 HydrophobicContact CB-CD1 4.24Å; L576-I647 HydrophobicContact CB-CG1 4.11Å; L576-I647 HydrophobicContact CB-CG2 4.49Å; L576-I647 HydrophobicContact CD1-CD1 3.99Å; L576-I647 HydrophobicContact CD1-CG1 4.22Å; N577-I647 PolarHBondContact ND2-O 2.8Å; V580-I647 HydrophobicContact CG2-CG2 3.99Å; A610-I647 HydrophobicContact CB-CB 4.24Å; A610-I647 HydrophobicContact CB-CG2 3.81Å; L613-I647 HydrophobicContact CB-CD1 3.89Å; V643-I647 HydrophobicContact CG1-CD1 3.88Å; V643-I647 HydrophobicContact CG1-CG1 4.36Å; V643-I647 VanDerWaalsContact O-CG1 3.28Å; V643-I647 WeakPolarHBondContact O-CG1 3.42Å; V643-I647 PolarHBondContact O-N 2.82Å; E644-I647 PolarHBondContact O-N 2.96Å; I647-S650 WeakPolarHBondContact O-CB 3.31Å; I647-S650 PolarHBondContact O-OG 3.31Å
648	V	87.2	Confident	81.5	Confident	71 Å²	71	41.3 Å²	41.3	43%	0.43	24%	0.24	S	C	.	.	H	α-helix	trans	-63.7	-53.4	-177.4	171.6	0	0	0	0	110.9	A610 E644 S650	A610-V648 HydrophobicContact CB-CG2 3.69Å; E644-V648 WeakPolarHBondContact O-CG2 3.02Å; E644-V648 PolarHBondContact O-N 2.85Å; V648-S650 VanDerWaalsContact C-N 3.28Å; V648-S650 PolarHBondContact O-N 2.82Å
649	Y	86.7	Confident	78.6	Confident	104 Å²	104	50.2 Å²	50.2	41%	0.408	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	20.3	-177.7	-59.5	-77.9	0	0	0	113.2	L551 S645 S651 W652 N653	L551-Y649 HydrophobicContact CD1-CD1 4.4Å; L551-Y649 HydrophobicContact CD1-CD2 4.17Å; L551-Y649 HydrophobicContact CD1-CE1 4.08Å; L551-Y649 HydrophobicContact CD1-CE2 3.83Å; L551-Y649 HydrophobicContact CD1-CG 4.45Å; L551-Y649 HydrophobicContact CD2-CD2 3.47Å; L551-Y649 VanDerWaalsContact CD2-CD2 3.47Å; L551-Y649 HydrophobicContact CD2-CE2 3.74Å; L551-Y649 HydrophobicContact CD2-CG 4.05Å; L551-Y649 HydrophobicContact CG-CD2 4.5Å; L551-Y649 HydrophobicContact CG-CE2 4.45Å; S645-Y649 WeakPolarHBondContact O-CB 3.45Å; S645-Y649 WeakPolarHBondContact O-CD2 3.08Å; S645-Y649 PolarHBondContact O-N 3.39Å; Y649-S651 VanDerWaalsContact C-N 3.29Å; Y649-S651 PolarHBondContact O-N 3.46Å; Y649-W652 PolarHBondContact O-N 3.16Å; Y649-N653 WeakPolarHBondContact O-CB 3.37Å; Y649-N653 VanDerWaalsContact O-CG 3.32Å; Y649-N653 PolarHBondContact O-N 3.17Å; Y649-N653 PolarHBondContact O-ND2 3.47Å
650	S	86.7	Confident	75.7	Confident	7 Å²	7	56.1 Å²	56.1	5%	0.049	31%	0.306	C	S	.	.	H	α-helix	trans	-52	-43.1	-177.4	52.2	0	0	0	0	113.2	N577 L646 I647 V648 F654	N577-S650 PolarHBondContact ND2-OG 3.23Å; L646-S650 VanDerWaalsContact O-CA 3.24Å; L646-S650 WeakPolarHBondContact O-CA 3.24Å; L646-S650 VanDerWaalsContact O-CB 3.27Å; L646-S650 WeakPolarHBondContact O-CB 3.47Å; L646-S650 PolarHBondContact O-N 3.04Å; I647-S650 WeakPolarHBondContact O-CB 3.31Å; I647-S650 PolarHBondContact O-OG 3.31Å; V648-S650 VanDerWaalsContact C-N 3.28Å; V648-S650 PolarHBondContact O-N 2.82Å; S650-F654 WeakPolarHBondContact O-CD2 3.26Å; S650-F654 PolarHBondContact O-N 3.38Å
651	S	81	Confident	72.9	Confident	91 Å²	91	60 Å²	60	64%	0.636	34%	0.338	S	S	*	.	H	α-helix	trans	-59	-50.2	174.9	53.6	0	0	0	0	112.4	Y649 S655	Y649-S651 VanDerWaalsContact C-N 3.29Å; Y649-S651 PolarHBondContact O-N 3.46Å; S651-S655 WeakPolarHBondContact O-CB 3.48Å; S651-S655 PolarHBondContact O-N 2.92Å
652	W	84.3	Confident	70	Confident	103 Å²	103	65 Å²	65	39%	0.39	36%	0.355	S	S	.	.	H	α-helix	trans	-70.4	-37	-178	-176.6	85	0	0	0	113.1	L551 K552 R555 Y649 F654	L551-W652 HydrophobicContact CB-CH2 4.2Å; L551-W652 HydrophobicContact CB-CZ3 3.96Å; L551-W652 WeakPolarHBondContact O-CZ3 3.42Å; K552-W652 HydrophobicContact CG-CH2 4.21Å; R555-W652 HydrophobicContact CB-CE3 4.49Å; R555-W652 HydrophobicContact CB-CH2 4.42Å; R555-W652 HydrophobicContact CB-CZ3 3.83Å; R555-W652 HydrophobicContact CG-CZ3 4.23Å; Y649-W652 PolarHBondContact O-N 3.16Å; W652-F654 PolarHBondContact O-N 3.24Å
653	N	82.5	Confident	66.8	Low	3 Å²	3	70.7 Å²	70.7	2%	0.016	38%	0.384	C	S	.	.	H	α-helix	trans	-64.8	-38.4	179.1	-72.9	-35.1	0	0	0	112.5	Y649	Y649-N653 WeakPolarHBondContact O-CB 3.37Å; Y649-N653 VanDerWaalsContact O-CG 3.32Å; Y649-N653 PolarHBondContact O-N 3.17Å; Y649-N653 PolarHBondContact O-ND2 3.47Å
654	F	84.8	Confident	63.4	Low	11 Å²	11	80.9 Å²	80.9	5%	0.048	42%	0.422	C	S	.	.	H	α-helix	trans	-106.8	2.3	-173.3	-62.6	-64.8	0	0	0	114.8	V558 Y566 L569 R570 M573 S650 W652	V558-F654 HydrophobicContact CG1-CD1 4.34Å; V558-F654 HydrophobicContact CG1-CE1 3.5Å; V558-F654 VanDerWaalsContact CG1-CE1 3.5Å; V558-F654 HydrophobicContact CG1-CZ 3.94Å; Y566-F654 HydrophobicContact CD2-CD1 4.32Å; Y566-F654 HydrophobicContact CD2-CE1 4.01Å; Y566-F654 AromaticContact CE2-CD1 3.59Å; Y566-F654 HydrophobicContact CE2-CD1 3.59Å; Y566-F654 AromaticContact CE2-CE1 3.71Å; Y566-F654 HydrophobicContact CE2-CE1 3.71Å; Y566-F654 AromaticContact CZ-CD1 3.82Å; L569-F654 HydrophobicContact CB-CZ 4.43Å; L569-F654 HydrophobicContact CD2-CE1 4.49Å; L569-F654 HydrophobicContact CD2-CZ 3.93Å; L569-F654 HydrophobicContact CG-CZ 3.93Å; R570-F654 HydrophobicContact CB-CD1 3.74Å; R570-F654 HydrophobicContact CB-CD2 4.37Å; R570-F654 HydrophobicContact CB-CE1 3.87Å; R570-F654 HydrophobicContact CB-CG 4.02Å; R570-F654 HydrophobicContact CB-CZ 4.3Å; R570-F654 HydrophobicContact CG-CB 4.03Å; R570-F654 HydrophobicContact CG-CD1 3.99Å; R570-F654 HydrophobicContact CG-CD2 4.36Å; R570-F654 HydrophobicContact CG-CG 3.87Å; R570-F654 PolarHBondContact NH1-O 3.39Å; R570-F654 PolarHBondContact NH2-O 3.04Å; M573-F654 HydrophobicContact CB-CE2 3.89Å; M573-F654 HydrophobicContact CG-CE2 4.13Å; S650-F654 WeakPolarHBondContact O-CD2 3.26Å; S650-F654 PolarHBondContact O-N 3.38Å; W652-F654 PolarHBondContact O-N 3.24Å
655	S	70.9	Confident	60.4	Low	59 Å²	59	83.8 Å²	83.8	41%	0.413	45%	0.445	S	S	.	.			trans	-77.1	145.8	179.5	-172	0	0	0	0	113.1	S651 V657	S651-S655 WeakPolarHBondContact O-CB 3.48Å; S651-S655 PolarHBondContact O-N 2.92Å; S655-V657 PolarHBondContact O-N 3.06Å; S655-V657 WeakPolarHBondContact OG-CG2 3.39Å
656	A	55.3	Low	57.3	Low	78 Å²	78	88.1 Å²	88.1	65%	0.645	48%	0.476	S	S	*	.			trans	-80.7	14.5	-173.1	0	0	0	0	0	114.9	G658 Y659	A656-G658 PolarHBondContact O-N 3.18Å; A656-Y659 PolarHBondContact O-N 3.09Å
657	V	43.3	Very low	54.3	Low	104 Å²	104	93.5 Å²	93.5	63%	0.63	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	17.8	-174.9	-145.5	0	0	0	0	114.3	S655	S655-V657 PolarHBondContact O-N 3.06Å; S655-V657 WeakPolarHBondContact OG-CG2 3.39Å
658	G	35.6	Very low	51.3	Low	40 Å²	40	104 Å²	104	41%	0.412	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-17.3	165.3	0	0	0	0	0	114.1	A656	A656-G658 PolarHBondContact O-N 3.18Å
659	Y	29.8	Very low	48.7	Very low	189 Å²	189	104.4 Å²	104.4	74%	0.741	55%	0.55	S	S	*	*	S	Bend	trans	-83.8	-40.3	-177.8	-91.6	-84.3	0	0	0	113.8	A656 A661 R662	A656-Y659 PolarHBondContact O-N 3.09Å; Y659-A661 VanDerWaalsContact C-N 3.27Å; Y659-A661 PolarHBondContact O-N 2.95Å; Y659-R662 WeakPolarHBondContact O-CB 3.35Å; Y659-R662 PolarHBondContact O-N 3.03Å
660	L	30.5	Very low	46.1	Very low	126 Å²	126	104.4 Å²	104.4	66%	0.66	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-65.9	-30.3	178.8	-67.8	178.8	0	0	0	112.6	R662 I663	L660-R662 PolarHBondContact O-N 3.03Å; L660-I663 HydrophobicContact CD2-CD1 4.13Å; L660-I663 PolarHBondContact O-N 3.13Å
661	A	32.5	Very low	43.5	Very low	93 Å²	93	109.9 Å²	109.9	77%	0.769	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-63.9	-6.8	172.2	0	0	0	0	0	114.2	Y659	Y659-A661 VanDerWaalsContact C-N 3.27Å; Y659-A661 PolarHBondContact O-N 2.95Å
662	R	28.2	Very low	41.1	Very low	210 Å²	210	113.3 Å²	113.3	79%	0.792	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-108.5	-6.2	178.8	-147.2	176.1	-64.2	-142.1	0.9	113.7	Y659 L660 R664	Y659-R662 WeakPolarHBondContact O-CB 3.35Å; Y659-R662 PolarHBondContact O-N 3.03Å; L660-R662 PolarHBondContact O-N 3.03Å; R662-R664 PolarHBondContact O-N 3.07Å
663	I	26.2	Very low	38.7	Very low	119 Å²	119	112.7 Å²	112.7	61%	0.61	61%	0.612	S	S	*	*			trans	-89	93.9	173.7	-55.6	-177.9	0	0	0	108.6	L660 P665	L660-I663 HydrophobicContact CD2-CD1 4.13Å; L660-I663 PolarHBondContact O-N 3.13Å; I663-P665 WeakPolarHBondContact O-CD 3.37Å
664	R	22.3	Very low	36.2	Very low	216 Å²	216	117.9 Å²	117.9	82%	0.815	64%	0.639	S	S	*	*			trans	-64.8	127.9	163.8	-69.5	-178.5	179.6	169.2	-0.7	108.6	R662 S666	R662-R664 PolarHBondContact O-N 3.07Å; R664-S666 PolarHBondContact O-N 3.03Å; R664-S666 PolarHBondContact O-OG 2.74Å
665	P	27.8	Very low	33.3	Very low	111 Å²	111	128 Å²	128	72%	0.721	68%	0.677	S	S	*	*			trans	-72.8	92.7	169	-14.4	30.4	0	0	0	109.3	I663 N667	I663-P665 WeakPolarHBondContact O-CD 3.37Å; P665-N667 PolarHBondContact O-N 2.84Å
666	S	24.9	Very low	31.4	Very low	113 Å²	113	132.9 Å²	132.9	79%	0.79	70%	0.698	S	S	*	*			trans	-71.6	11.5	-172.7	-55.2	0	0	0	0	115.5	R664	R664-S666 PolarHBondContact O-N 3.03Å; R664-S666 PolarHBondContact O-OG 2.74Å
667	N	28.7	Very low	30.2	Very low	115 Å²	115	135.5 Å²	135.5	62%	0.615	70%	0.701	S	S	*	*			trans	-128.4	113.6	176.2	-99.2	-34.9	0	0	0	110.9	P665 S669	P665-N667 PolarHBondContact O-N 2.84Å; N667-S669 VanDerWaalsContact C-N 3.31Å; N667-S669 PolarHBondContact O-N 2.78Å
668	R	28.8	Very low	29.5	Very low	220 Å²	220	138.2 Å²	138.2	83%	0.83	71%	0.712	S	S	*	*	S	Bend	trans	-75.4	-18.9	-173.9	-143.7	175.1	-171.1	-179.7	1.4	113.4
669	S	32.9	Very low	29.3	Very low	81 Å²	81	141.3 Å²	141.3	57%	0.566	73%	0.726	S	S	*	*	S	Bend	trans	-79.4	-32.6	-172.3	43.1	0	0	0	0	114.6	N667 L671 Q672	N667-S669 VanDerWaalsContact C-N 3.31Å; N667-S669 PolarHBondContact O-N 2.78Å; S669-L671 VanDerWaalsContact C-N 3.26Å; S669-L671 PolarHBondContact O-N 2.84Å; S669-Q672 PolarHBondContact O-N 2.69Å
670	T	32.3	Very low	29.2	Very low	104 Å²	104	142.2 Å²	142.2	64%	0.638	73%	0.729	S	S	*	*	G	3₁₀ helix	trans	-67	-26.8	-177	-42.2	0	0	0	0	113	Q672	T670-Q672 PolarHBondContact O-N 2.78Å
671	L	30.4	Very low	29.2	Very low	122 Å²	122	140.4 Å²	140.4	64%	0.639	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-68.6	-17.9	178.7	-70.2	171.8	0	0	0	113.6	S669	S669-L671 VanDerWaalsContact C-N 3.26Å; S669-L671 PolarHBondContact O-N 2.84Å
672	Q	31.9	Very low	29.2	Very low	162 Å²	162	142 Å²	142	76%	0.757	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-80.5	-19.1	-174.6	-151.2	162.7	0.6	0	0	112.9	S669 T670 L674	S669-Q672 PolarHBondContact O-N 2.69Å; T670-Q672 PolarHBondContact O-N 2.78Å; Q672-L674 VanDerWaalsContact C-N 3.32Å; Q672-L674 PolarHBondContact O-N 3.22Å
673	A	32.7	Very low	29.8	Very low	90 Å²	90	136.7 Å²	136.7	74%	0.744	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-82.5	-2	178.6	0	0	0	0	0	114.6
674	L	29.7	Very low	30.4	Very low	113 Å²	113	134.5 Å²	134.5	59%	0.592	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-110.3	18.1	-178.5	-61.5	178.6	0	0	0	113.3	Q672 W680	Q672-L674 VanDerWaalsContact C-N 3.32Å; Q672-L674 PolarHBondContact O-N 3.22Å; L674-W680 HydrophobicContact CD2-CH2 4.12Å; L674-W680 HydrophobicContact CD2-CZ3 4.42Å
675	R	25	Very low	31	Very low	222 Å²	222	127.2 Å²	127.2	84%	0.838	69%	0.689	S	S	*	*			trans	-112.6	97.1	170.7	-93.1	-176.5	167.7	162.7	-3.5	110.4
676	L	31.8	Very low	31.4	Very low	162 Å²	162	126.1 Å²	126.1	85%	0.848	68%	0.682	S	S	*	*	S	Bend	trans	-165.6	151	147.4	-104.7	160.7	0	0	0	108.4
677	D	28.9	Very low	31.8	Very low	133 Å²	133	126.7 Å²	126.7	71%	0.711	68%	0.676	S	S	*	*	S	Bend	trans	-72.3	152	-153.5	-53.9	-84.2	0	0	0	116.4	C679	D677-C679 PolarHBondContact O-N 2.71Å
678	N	28.7	Very low	32.3	Very low	161 Å²	161	129 Å²	129	86%	0.861	68%	0.683	S	S	*	*	S	Bend	trans	63.3	32.2	148.5	-61.4	-31.1	0	0	0	120.5
679	C	31	Very low	32.7	Very low	106 Å²	106	122.7 Å²	122.7	72%	0.716	67%	0.669	S	S	*	*			trans	-163.4	111.8	152	-128.5	0	0	0	0	115.6	D677 T681	D677-C679 PolarHBondContact O-N 2.71Å; C679-T681 PolarHBondContact O-N 3.39Å
680	W	28.2	Very low	32.8	Very low	208 Å²	208	121.6 Å²	121.6	79%	0.788	66%	0.657	S	S	*	*			trans	-87.8	82.7	166.1	-75.5	100.8	0	0	0	110.9	L674	L674-W680 HydrophobicContact CD2-CH2 4.12Å; L674-W680 HydrophobicContact CD2-CZ3 4.42Å
681	T	30.7	Very low	33	Very low	87 Å²	87	123.6 Å²	123.6	53%	0.534	66%	0.663	S	S	.	*			trans	-72.8	143.9	169.1	49.9	0	0	0	0	110.8	C679 S683	C679-T681 PolarHBondContact O-N 3.39Å; T681-S683 PolarHBondContact O-N 2.96Å; T681-S683 PolarHBondContact OG1-OG 3.36Å
682	L	33.3	Very low	33.4	Very low	126 Å²	126	123.3 Å²	123.3	66%	0.66	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-69.2	-0.5	-172.2	-137.6	80.7	0	0	0	114.7	A684	L682-A684 PolarHBondContact O-N 2.79Å
683	S	39.5	Very low	33.5	Very low	100 Å²	100	118.9 Å²	118.9	70%	0.699	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-75.5	-15.8	-173.4	44.7	0	0	0	0	114.9	T681 I685	T681-S683 PolarHBondContact O-N 2.96Å; T681-S683 PolarHBondContact OG1-OG 3.36Å; S683-I685 PolarHBondContact O-N 3.28Å
684	A	38.4	Very low	33.6	Very low	73 Å²	73	125.3 Å²	125.3	60%	0.603	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-82.7	-4.1	-173.6	0	0	0	0	0	115.1	L682	L682-A684 PolarHBondContact O-N 2.79Å
685	I	35.3	Very low	33.8	Very low	63 Å²	63	123.7 Å²	123.7	32%	0.323	65%	0.65	S	S	.	*	S	Bend	trans	-94.3	122.2	-177.9	-55.6	178.2	0	0	0	110.1	S683 N687 V689 L690	S683-I685 PolarHBondContact O-N 3.28Å; I685-N687 PolarHBondContact O-N 3.2Å; I685-V689 HydrophobicContact CG2-CB 4.47Å; I685-L690 HydrophobicContact CB-CD1 4.28Å; I685-L690 HydrophobicContact CG2-CD1 4.05Å; I685-L690 HydrophobicContact CG2-CD2 4.37Å; I685-L690 HydrophobicContact CG2-CG 3.88Å
686	P	36.6	Very low	34.3	Very low	88 Å²	88	117.2 Å²	117.2	57%	0.571	63%	0.632	S	S	*	*			trans	-58.9	126.7	174.2	-24.4	34.6	0	0	0	111.9	E688 V689	P686-E688 PolarHBondContact O-N 2.74Å; P686-V689 HydrophobicContact CB-CG2 4.48Å; P686-V689 PolarHBondContact O-N 2.85Å
687	N	33.6	Very low	34.5	Very low	125 Å²	125	111.6 Å²	111.6	67%	0.668	61%	0.605	S	S	*	*	H	α-helix	trans	-55.5	-29	-172.9	-78.6	-62.4	0	0	0	114.3	I685 V689 L690 L691	I685-N687 PolarHBondContact O-N 3.2Å; N687-V689 PolarHBondContact O-N 3.38Å; N687-L690 PolarHBondContact O-N 2.93Å; N687-L691 WeakPolarHBondContact O-CG 3.26Å; N687-L691 PolarHBondContact O-N 3.2Å
688	E	39.2	Very low	34.6	Very low	162 Å²	162	111.6 Å²	111.6	76%	0.757	60%	0.6	S	S	*	*	H	α-helix	trans	-60.4	-32.4	177.4	-58.5	-172.5	157.3	0	0	112.8	P686	P686-E688 PolarHBondContact O-N 2.74Å
689	V	37.4	Very low	34.8	Very low	88 Å²	88	107.5 Å²	107.5	53%	0.533	58%	0.584	S	S	.	*	H	α-helix	trans	-73.7	-35.3	178.4	-174.9	0	0	0	0	111.4	I685 P686 N687 T692	I685-V689 HydrophobicContact CG2-CB 4.47Å; P686-V689 HydrophobicContact CB-CG2 4.48Å; P686-V689 PolarHBondContact O-N 2.85Å; N687-V689 PolarHBondContact O-N 3.38Å; V689-T692 PolarHBondContact O-OG1 2.77Å
690	L	34.3	Very low	34.8	Very low	59 Å²	59	105.3 Å²	105.3	31%	0.309	56%	0.564	S	S	.	*	H	α-helix	trans	-73.2	-28	-179.7	-72.2	166.4	0	0	0	113.1	I685 N687 V697	I685-L690 HydrophobicContact CB-CD1 4.28Å; I685-L690 HydrophobicContact CG2-CD1 4.05Å; I685-L690 HydrophobicContact CG2-CD2 4.37Å; I685-L690 HydrophobicContact CG2-CG 3.88Å; N687-L690 PolarHBondContact O-N 2.93Å; L690-V697 HydrophobicContact CD2-CG2 4.16Å
691	L	37.5	Very low	34.9	Very low	146 Å²	146	104.6 Å²	104.6	76%	0.764	56%	0.562	S	S	*	*	H	α-helix	trans	-74.2	-26.3	-176.4	-77.7	164	0	0	0	114.1	N687	N687-L691 WeakPolarHBondContact O-CG 3.26Å; N687-L691 PolarHBondContact O-N 3.2Å
692	T	37.4	Very low	35	Very low	115 Å²	115	107.1 Å²	107.1	71%	0.706	57%	0.571	S	S	*	*	S	Bend	trans	-87.5	-18.5	-170.7	54.8	0	0	0	0	114.6	V689	V689-T692 PolarHBondContact O-OG1 2.77Å
693	N	33.5	Very low	35	Very low	69 Å²	69	106.5 Å²	106.5	37%	0.369	57%	0.572	S	S	.	*			trans	-136	75.4	-159	-135.6	-34.3	0	0	0	113.8	S695 L696 V697	N693-S695 VanDerWaalsContact C-N 3.26Å; N693-S695 PolarHBondContact O-N 3.39Å; N693-S695 VanDerWaalsContact O-N 3.17Å; N693-S695 PolarHBondContact OD1-OG 3.45Å; N693-S695 VanDerWaalsContact OD1-OG 3.13Å; N693-L696 HydrophobicContact CB-CB 4.02Å; N693-L696 HydrophobicContact CB-CD1 4.41Å; N693-L696 WeakPolarHBondContact O-CB 3.38Å; N693-L696 PolarHBondContact O-N 3.48Å; N693-V697 PolarHBondContact O-N 3.49Å
694	R	35.2	Very low	34.7	Very low	226 Å²	226	105.7 Å²	105.7	85%	0.853	56%	0.563	S	S	*	*	H	α-helix	trans	-54.3	-34.4	-177	-81.2	-171.4	174	-167.7	-1.8	114.6	Q698	R694-Q698 PolarHBondContact O-N 3.35Å
695	S	34.2	Very low	34.3	Very low	78 Å²	78	111.4 Å²	111.4	55%	0.545	57%	0.574	S	S	.	*	H	α-helix	trans	-64.1	-44.1	176.5	45.2	0	0	0	0	111.9	N693 V697 Q698 S699	N693-S695 VanDerWaalsContact C-N 3.26Å; N693-S695 PolarHBondContact O-N 3.39Å; N693-S695 VanDerWaalsContact O-N 3.17Å; N693-S695 PolarHBondContact OD1-OG 3.45Å; N693-S695 VanDerWaalsContact OD1-OG 3.13Å; S695-V697 PolarHBondContact O-N 2.96Å; S695-Q698 WeakPolarHBondContact O-CB 3.34Å; S695-Q698 PolarHBondContact O-N 3.42Å; S695-Q698 VanDerWaalsContact O-N 3.15Å; S695-S699 PolarHBondContact O-N 3.44Å; S695-S699 PolarHBondContact O-OG 2.86Å
696	L	36.4	Very low	34.1	Very low	86 Å²	86	113.6 Å²	113.6	45%	0.45	60%	0.602	S	S	.	*	H	α-helix	trans	-64.4	-41.8	-178.1	-134.4	170.5	0	0	0	111.3	N693 Q698 S699 I700	N693-L696 HydrophobicContact CB-CB 4.02Å; N693-L696 HydrophobicContact CB-CD1 4.41Å; N693-L696 WeakPolarHBondContact O-CB 3.38Å; N693-L696 PolarHBondContact O-N 3.48Å; L696-Q698 VanDerWaalsContact C-N 3.33Å; L696-Q698 PolarHBondContact O-N 3.44Å; L696-S699 PolarHBondContact O-N 2.89Å; L696-I700 HydrophobicContact CD2-CD1 3.57Å; L696-I700 HydrophobicContact CD2-CG1 4.08Å; L696-I700 WeakPolarHBondContact O-CG1 3.27Å; L696-I700 PolarHBondContact O-N 3.32Å
697	V	35.1	Very low	34	Very low	45 Å²	45	112 Å²	112	27%	0.273	60%	0.601	S	S	.	*	H	α-helix	trans	-63	-38.4	173.3	179.4	0	0	0	0	111.7	L690 N693 S695 R701	L690-V697 HydrophobicContact CD2-CG2 4.16Å; N693-V697 PolarHBondContact O-N 3.49Å; S695-V697 PolarHBondContact O-N 2.96Å; V697-R701 PolarHBondContact O-N 2.78Å
698	Q	31.7	Very low	34	Very low	133 Å²	133	114.7 Å²	114.7	62%	0.621	61%	0.607	S	S	*	*	H	α-helix	trans	-64.7	-43	175.7	-154.1	80.9	6.6	0	0	111.3	R694 S695 L696 I702	R694-Q698 PolarHBondContact O-N 3.35Å; S695-Q698 WeakPolarHBondContact O-CB 3.34Å; S695-Q698 PolarHBondContact O-N 3.42Å; S695-Q698 VanDerWaalsContact O-N 3.15Å; L696-Q698 VanDerWaalsContact C-N 3.33Å; L696-Q698 PolarHBondContact O-N 3.44Å; Q698-I702 WeakPolarHBondContact O-CD1 3.32Å; Q698-I702 WeakPolarHBondContact O-CG1 3.32Å; Q698-I702 PolarHBondContact O-N 3.3Å
699	S	31.4	Very low	33.9	Very low	74 Å²	74	113.8 Å²	113.8	52%	0.517	61%	0.612	S	S	.	*	H	α-helix	trans	-63.9	-47.6	177	-63.5	0	0	0	0	112.6	S695 L696 R701 I702	S695-S699 PolarHBondContact O-N 3.44Å; S695-S699 PolarHBondContact O-OG 2.86Å; L696-S699 PolarHBondContact O-N 2.89Å; S699-R701 VanDerWaalsContact C-N 3.32Å; S699-R701 PolarHBondContact O-N 2.92Å; S699-I702 PolarHBondContact O-N 3.29Å
700	I	32.8	Very low	34.5	Very low	60 Å²	60	114.2 Å²	114.2	31%	0.308	61%	0.611	S	S	.	*	H	α-helix	trans	-62.1	-38.8	-179.1	-70.1	167.6	0	0	0	111.6	L696 I702 V703 T704	L696-I700 HydrophobicContact CD2-CD1 3.57Å; L696-I700 HydrophobicContact CD2-CG1 4.08Å; L696-I700 WeakPolarHBondContact O-CG1 3.27Å; L696-I700 PolarHBondContact O-N 3.32Å; I700-I702 VanDerWaalsContact C-N 3.28Å; I700-I702 PolarHBondContact O-N 2.93Å; I700-V703 PolarHBondContact O-N 2.74Å; I700-T704 PolarHBondContact O-OG1 3.45Å
701	R	30.1	Very low	35.1	Very low	193 Å²	193	113.9 Å²	113.9	73%	0.728	61%	0.61	S	S	*	*	H	α-helix	trans	-65.7	-24.6	178	-89.3	-175.6	160.9	170.1	-3.5	114.6	V697 S699	V697-R701 PolarHBondContact O-N 2.78Å; S699-R701 VanDerWaalsContact C-N 3.32Å; S699-R701 PolarHBondContact O-N 2.92Å
702	I	31.2	Very low	35.8	Very low	141 Å²	141	114.4 Å²	114.4	72%	0.723	61%	0.606	S	S	*	*	H	α-helix	trans	-76.7	-26.7	179.2	-69.8	165.8	0	0	0	111.4	Q698 S699 I700	Q698-I702 WeakPolarHBondContact O-CD1 3.32Å; Q698-I702 WeakPolarHBondContact O-CG1 3.32Å; Q698-I702 PolarHBondContact O-N 3.3Å; S699-I702 PolarHBondContact O-N 3.29Å; I700-I702 VanDerWaalsContact C-N 3.28Å; I700-I702 PolarHBondContact O-N 2.93Å
703	V	33.4	Very low	36.6	Very low	112 Å²	112	115.4 Å²	115.4	68%	0.679	60%	0.6	S	S	*	*	H	α-helix	trans	-83.1	-27.3	-174.5	178.8	0	0	0	0	113.2	I700	I700-V703 PolarHBondContact O-N 2.74Å
704	T	33.5	Very low	37.4	Very low	84 Å²	84	113.9 Å²	113.9	52%	0.515	60%	0.597	S	S	.	*	S	Bend	trans	-104.5	-5.1	-152.9	37.6	0	0	0	0	117.7	I700	I700-T704 PolarHBondContact O-OG1 3.45Å
705	F	30.6	Very low	38.6	Very low	193 Å²	193	106.9 Å²	106.9	85%	0.846	57%	0.573	S	S	*	*	S	Bend	trans	-134.3	15.7	-161.9	-122	-90.1	0	0	0	118.8
706	A	31.3	Very low	40	Very low	109 Å²	109	107.2 Å²	107.2	90%	0.901	57%	0.566	S	S	*	*	S	Bend	trans	-147.1	-6.4	-177.8	0	0	0	0	0	118
707	G	33.9	Very low	41.3	Very low	53 Å²	53	107.2 Å²	107.2	55%	0.546	57%	0.566	S	S	.	*			trans	-104.7	-16.4	-157.5	0	0	0	0	0	119.5
708	F	33.7	Very low	42.7	Very low	183 Å²	183	105.6 Å²	105.6	80%	0.803	56%	0.556	S	S	*	*	S	Bend	trans	-90.4	-13	-151.3	-125.6	-91.7	0	0	0	117.7
709	V	37.2	Very low	44.6	Very low	142 Å²	142	101.8 Å²	101.8	86%	0.861	54%	0.542	S	S	*	.	S	Bend	trans	-92.3	-37.5	-168	-177.6	0	0	0	0	114.2
710	D	50.1	Low	46.4	Very low	97 Å²	97	103.8 Å²	103.8	52%	0.519	54%	0.541	S	S	.	.	S	Bend	trans	-98.4	-0.4	-176.1	-93.8	-48.9	0	0	0	115.1	K712 K713 A714	D710-K712 PolarHBondContact O-N 2.9Å; D710-K712 VanDerWaalsContact O-N 3.07Å; D710-K713 PolarHBondContact O-N 3.13Å; D710-K713 VanDerWaalsContact O-N 3.16Å; D710-K713 WeakPolarHBondContact OD1-CD 3.49Å; D710-K713 IonicContact OD1-NZ 3.42Å; D710-A714 PolarHBondContact O-N 3.27Å
711	L	46.9	Very low	47.9	Very low	52 Å²	52	103.6 Å²	103.6	27%	0.272	54%	0.541	S	S	.	.	H	α-helix	trans	-57.3	-32.3	-171	-150.8	81.7	0	0	0	113.5	K715 L760	L711-K715 WeakPolarHBondContact O-CG 3.16Å; L711-K715 PolarHBondContact O-N 2.98Å; L711-L760 HydrophobicContact CD1-CD2 3.43Å; L711-L760 VanDerWaalsContact CD1-CD2 3.43Å; L711-L760 HydrophobicContact CG-CD2 3.87Å
712	K	51.4	Low	49.9	Very low	158 Å²	158	94.5 Å²	94.5	69%	0.687	51%	0.507	S	S	*	.	H	α-helix	trans	-71.2	-49.8	178.5	-166.7	-177.3	177.3	-173.2	0	111.9	D710 A714 K715 E716	D710-K712 PolarHBondContact O-N 2.9Å; D710-K712 VanDerWaalsContact O-N 3.07Å; K712-A714 VanDerWaalsContact C-N 3.28Å; K712-A714 PolarHBondContact O-N 3.44Å; K712-K715 PolarHBondContact O-N 3.28Å; K712-E716 VanDerWaalsContact CE-OE1 3.25Å; K712-E716 WeakPolarHBondContact CE-OE1 3.49Å; K712-E716 WeakPolarHBondContact O-CG 3.26Å; K712-E716 PolarHBondContact O-N 3.39Å
713	K	54.4	Low	51.7	Low	136 Å²	136	91.1 Å²	91.1	59%	0.591	49%	0.492	S	S	*	.	H	α-helix	trans	-59.8	-39.1	175.1	-71.3	-177.6	-169.7	158.5	0	111.7	D710 E716 N717	D710-K713 PolarHBondContact O-N 3.13Å; D710-K713 VanDerWaalsContact O-N 3.16Å; D710-K713 WeakPolarHBondContact OD1-CD 3.49Å; D710-K713 IonicContact OD1-NZ 3.42Å; K713-E716 PolarHBondContact O-N 3.06Å; K713-N717 WeakPolarHBondContact O-CB 3.47Å; K713-N717 PolarHBondContact O-N 3.43Å
714	A	50.3	Low	53.2	Low	36 Å²	36	89.7 Å²	89.7	30%	0.298	48%	0.481	S	S	.	.	H	α-helix	trans	-60.4	-46.3	176.6	0	0	0	0	0	112	D710 K712 N717 I718 L760	D710-A714 PolarHBondContact O-N 3.27Å; K712-A714 VanDerWaalsContact C-N 3.28Å; K712-A714 PolarHBondContact O-N 3.44Å; A714-N717 PolarHBondContact O-N 3.31Å; A714-I718 WeakPolarHBondContact O-CD1 3.23Å; A714-I718 WeakPolarHBondContact O-CG1 3.49Å; A714-I718 PolarHBondContact O-N 2.61Å; A714-L760 HydrophobicContact CB-CD1 4.22Å
715	K	60.4	Low	54.5	Low	80 Å²	80	86.2 Å²	86.2	35%	0.348	46%	0.459	S	S	.	.	H	α-helix	trans	-63.3	-43.5	175.2	-72.6	179.5	179.3	-175	0	112.1	L711 K712 N717 I718 V719 L760 N764	L711-K715 WeakPolarHBondContact O-CG 3.16Å; L711-K715 PolarHBondContact O-N 2.98Å; K712-K715 PolarHBondContact O-N 3.28Å; K715-N717 PolarHBondContact O-N 3.24Å; K715-I718 PolarHBondContact O-N 2.78Å; K715-V719 WeakPolarHBondContact O-CG2 3.46Å; K715-V719 PolarHBondContact O-N 3.37Å; K715-V719 VanDerWaalsContact O-N 3.15Å; K715-L760 HydrophobicContact CG-CD1 4.34Å; K715-L760 HydrophobicContact CG-CD2 4.49Å; K715-N764 PolarHBondContact NZ-OD1 3.44Å
716	E	64.3	Low	56	Low	84 Å²	84	81.7 Å²	81.7	39%	0.393	44%	0.437	S	S	.	.	H	α-helix	trans	-62.4	-40	178	-72.6	173.1	-158.4	0	0	113.1	K712 K713 K720	K712-E716 VanDerWaalsContact CE-OE1 3.25Å; K712-E716 WeakPolarHBondContact CE-OE1 3.49Å; K712-E716 WeakPolarHBondContact O-CG 3.26Å; K712-E716 PolarHBondContact O-N 3.39Å; K713-E716 PolarHBondContact O-N 3.06Å; E716-K720 WeakPolarHBondContact O-CG 3.48Å; E716-K720 PolarHBondContact O-N 3.04Å; E716-K720 VanDerWaalsContact O-N 3.16Å
717	N	63.7	Low	57.5	Low	86 Å²	86	78.2 Å²	78.2	46%	0.46	41%	0.408	S	S	.	.	H	α-helix	trans	-69.4	-39.8	178.9	-74.1	-11.9	0	0	0	112.6	K713 A714 K715 K720 N721	K713-N717 WeakPolarHBondContact O-CB 3.47Å; K713-N717 PolarHBondContact O-N 3.43Å; A714-N717 PolarHBondContact O-N 3.31Å; K715-N717 PolarHBondContact O-N 3.24Å; N717-K720 PolarHBondContact O-N 2.9Å; N717-N721 WeakPolarHBondContact O-CB 3.44Å; N717-N721 PolarHBondContact O-N 3.01Å
718	I	64.6	Low	58.5	Low	11 Å²	11	78.5 Å²	78.5	6%	0.056	40%	0.399	C	S	.	.	H	α-helix	trans	-65.2	-41.3	177.6	-71.5	164	0	0	0	111.2	A714 K715 N721 L722 E753 R756 A757 L760	A714-I718 WeakPolarHBondContact O-CD1 3.23Å; A714-I718 WeakPolarHBondContact O-CG1 3.49Å; A714-I718 PolarHBondContact O-N 2.61Å; K715-I718 PolarHBondContact O-N 2.78Å; I718-N721 PolarHBondContact O-N 2.95Å; I718-L722 HydrophobicContact CG2-CD1 3.85Å; I718-L722 HydrophobicContact CG2-CG 4.39Å; I718-L722 WeakPolarHBondContact O-CG 2.9Å; I718-L722 PolarHBondContact O-N 3.08Å; I718-E753 HydrophobicContact CB-CG 4.37Å; I718-E753 HydrophobicContact CG1-CG 4.02Å; I718-E753 HydrophobicContact CG2-CG 4.23Å; I718-R756 HydrophobicContact CD1-CB 3.72Å; I718-R756 HydrophobicContact CG1-CB 4.39Å; I718-A757 HydrophobicContact CG2-CB 4.06Å; I718-L760 HydrophobicContact CD1-CD1 3.27Å
719	V	70.6	Confident	59.5	Low	54 Å²	54	73.5 Å²	73.5	33%	0.327	38%	0.377	S	S	.	.	H	α-helix	trans	-61.2	-46	174.6	172.7	0	0	0	0	110.7	K715 N721 L722 V723 T789 L792	K715-V719 WeakPolarHBondContact O-CG2 3.46Å; K715-V719 PolarHBondContact O-N 3.37Å; K715-V719 VanDerWaalsContact O-N 3.15Å; V719-N721 PolarHBondContact O-N 3.28Å; V719-L722 PolarHBondContact O-N 3.13Å; V719-V723 HydrophobicContact CG1-CG2 4.34Å; V719-V723 WeakPolarHBondContact O-CB 3.35Å; V719-V723 VanDerWaalsContact O-CG2 3.25Å; V719-V723 WeakPolarHBondContact O-CG2 3.3Å; V719-V723 PolarHBondContact O-N 3.08Å; V719-T789 HydrophobicContact CG2-CG2 4.44Å; V719-L792 HydrophobicContact CG1-CD1 4.32Å
720	K	69.8	Low	60.5	Low	115 Å²	115	72.1 Å²	72.1	50%	0.5	37%	0.365	S	S	.	.	H	α-helix	trans	-58	-46.3	175.5	-70.5	165.8	-173.5	167.2	0	112	E716 N717 V723 N724	E716-K720 WeakPolarHBondContact O-CG 3.48Å; E716-K720 PolarHBondContact O-N 3.04Å; E716-K720 VanDerWaalsContact O-N 3.16Å; N717-K720 PolarHBondContact O-N 2.9Å; K720-V723 PolarHBondContact O-N 2.72Å; K720-N724 VanDerWaalsContact O-CG 3.26Å; K720-N724 PolarHBondContact O-N 2.75Å; K720-N724 VanDerWaalsContact O-N 3.09Å; K720-N724 PolarHBondContact O-ND2 2.76Å; K720-N724 PolarHBondContact O-OD1 3.27Å
721	N	64.9	Low	60.1	Low	57 Å²	57	74 Å²	74	31%	0.305	37%	0.37	S	S	.	.	H	α-helix	trans	-68.4	-38.1	-178.1	-74.9	-17.5	0	0	0	112.8	N717 I718 V719 N724 V725 E753	N717-N721 WeakPolarHBondContact O-CB 3.44Å; N717-N721 PolarHBondContact O-N 3.01Å; I718-N721 PolarHBondContact O-N 2.95Å; V719-N721 PolarHBondContact O-N 3.28Å; N721-N724 PolarHBondContact O-N 2.85Å; N721-V725 PolarHBondContact O-N 3.11Å; N721-E753 HydrophobicContact CB-CG 4.02Å; N721-E753 PolarHBondContact ND2-OE1 3.29Å
722	L	71.3	Confident	59.4	Low	2 Å²	2	76.8 Å²	76.8	1%	0.01	39%	0.393	C	S	.	.	H	α-helix	trans	-71.4	-35.2	173.9	-66.2	170.1	0	0	0	112.5	I718 V719 N724 V725 R726 L792 I793 A796	I718-L722 HydrophobicContact CG2-CD1 3.85Å; I718-L722 HydrophobicContact CG2-CG 4.39Å; I718-L722 WeakPolarHBondContact O-CG 2.9Å; I718-L722 PolarHBondContact O-N 3.08Å; V719-L722 PolarHBondContact O-N 3.13Å; L722-N724 VanDerWaalsContact C-N 3.28Å; L722-N724 PolarHBondContact O-N 3.16Å; L722-V725 WeakPolarHBondContact O-CB 3.42Å; L722-V725 PolarHBondContact O-N 2.91Å; L722-V725 VanDerWaalsContact O-N 3.1Å; L722-R726 PolarHBondContact O-N 3.34Å; L722-L792 HydrophobicContact CB-CB 3.91Å; L722-L792 HydrophobicContact CB-CD1 4.43Å; L722-L792 HydrophobicContact CB-CD2 4.21Å; L722-L792 HydrophobicContact CB-CG 4.42Å; L722-L792 HydrophobicContact CD1-CB 4.18Å; L722-I793 HydrophobicContact CD1-CG1 4Å; L722-A796 HydrophobicContact CD2-CB 3.95Å
723	V	69.9	Low	58.3	Low	70 Å²	70	74.1 Å²	74.1	42%	0.424	39%	0.39	S	S	.	.	H	α-helix	trans	-60.3	-40.5	173.4	166.1	0	0	0	0	110.8	V719 K720 V725 R726 A727 L792	V719-V723 HydrophobicContact CG1-CG2 4.34Å; V719-V723 WeakPolarHBondContact O-CB 3.35Å; V719-V723 VanDerWaalsContact O-CG2 3.25Å; V719-V723 WeakPolarHBondContact O-CG2 3.3Å; V719-V723 PolarHBondContact O-N 3.08Å; K720-V723 PolarHBondContact O-N 2.72Å; V723-V725 VanDerWaalsContact C-N 3.31Å; V723-V725 PolarHBondContact O-N 2.91Å; V723-R726 PolarHBondContact O-N 3.04Å; V723-R726 VanDerWaalsContact O-N 3.13Å; V723-A727 PolarHBondContact O-N 2.81Å; V723-L792 HydrophobicContact CG2-CD1 3.76Å; V723-L792 HydrophobicContact CG2-CD2 3.92Å
724	N	64.5	Low	57.1	Low	82 Å²	82	74 Å²	74	44%	0.439	40%	0.403	S	S	.	.	H	α-helix	trans	-61.4	-37.6	173.8	-64.6	-19.8	0	0	0	112.1	K720 N721 L722 A727 V728	K720-N724 VanDerWaalsContact O-CG 3.26Å; K720-N724 PolarHBondContact O-N 2.75Å; K720-N724 VanDerWaalsContact O-N 3.09Å; K720-N724 PolarHBondContact O-ND2 2.76Å; K720-N724 PolarHBondContact O-OD1 3.27Å; N721-N724 PolarHBondContact O-N 2.85Å; L722-N724 VanDerWaalsContact C-N 3.28Å; L722-N724 PolarHBondContact O-N 3.16Å; N724-A727 PolarHBondContact O-N 3.45Å; N724-V728 WeakPolarHBondContact O-CG2 3.49Å; N724-V728 PolarHBondContact O-N 3.19Å
725	V	60.1	Low	56	Low	10 Å²	10	78 Å²	78	6%	0.061	42%	0.424	C	S	.	.	H	α-helix	trans	-65.8	-38.7	173.4	177.5	0	0	0	0	111.6	N721 L722 V723 V728 K729 I750 A796 Y799	N721-V725 PolarHBondContact O-N 3.11Å; L722-V725 WeakPolarHBondContact O-CB 3.42Å; L722-V725 PolarHBondContact O-N 2.91Å; L722-V725 VanDerWaalsContact O-N 3.1Å; V723-V725 VanDerWaalsContact C-N 3.31Å; V723-V725 PolarHBondContact O-N 2.91Å; V725-V728 PolarHBondContact O-N 3.34Å; V725-K729 PolarHBondContact O-N 3.02Å; V725-I750 HydrophobicContact CG1-CD1 4.38Å; V725-I750 HydrophobicContact CG2-CD1 4.05Å; V725-I750 HydrophobicContact CG2-CG1 4.01Å; V725-A796 HydrophobicContact CG1-CB 3.99Å; V725-Y799 HydrophobicContact CG1-CD1 4.23Å; V725-Y799 HydrophobicContact CG1-CG 4.45Å
726	R	63.6	Low	54.6	Low	98 Å²	98	79.5 Å²	79.5	37%	0.37	44%	0.442	S	S	.	.	H	α-helix	trans	-65.8	-36.2	174.6	-167.9	175.2	-174.9	160.4	2.5	112.1	L722 V723 K729 N730 E791 L792	L722-R726 PolarHBondContact O-N 3.34Å; V723-R726 PolarHBondContact O-N 3.04Å; V723-R726 VanDerWaalsContact O-N 3.13Å; R726-K729 PolarHBondContact O-N 3.25Å; R726-N730 PolarHBondContact O-N 3.37Å; R726-N730 PolarHBondContact O-OD1 2.6Å; R726-E791 IonicContact CZ-OE2 3.18Å; R726-E791 VanDerWaalsContact CZ-OE2 3.22Å; R726-E791 IonicContact NH1-OE2 3.63Å; R726-E791 PolarHBondContact NH1-OE2 3.45Å; R726-E791 IonicContact NH2-OE2 3.76Å; R726-E791 PolarHBondContact NH2-OE2 2.99Å; R726-L792 HydrophobicContact CB-CD2 3.92Å; R726-L792 HydrophobicContact CG-CD2 4.48Å
727	A	60.9	Low	52.8	Low	36 Å²	36	85 Å²	85	30%	0.298	47%	0.468	S	S	.	.	H	α-helix	trans	-65	-48.7	173	0	0	0	0	0	111.7	V723 N724 K729 N730 E731	V723-A727 PolarHBondContact O-N 2.81Å; N724-A727 PolarHBondContact O-N 3.45Å; A727-K729 PolarHBondContact O-N 2.85Å; A727-N730 WeakPolarHBondContact O-CA 3.25Å; A727-N730 WeakPolarHBondContact O-CB 3.46Å; A727-N730 PolarHBondContact O-N 3.31Å; A727-E731 PolarHBondContact O-N 3.41Å
728	V	55.9	Low	51	Low	60 Å²	60	87 Å²	87	36%	0.364	48%	0.483	S	S	.	.	H	α-helix	trans	-61.6	-29.1	177.4	171.4	0	0	0	0	112.7	N724 V725 N730	N724-V728 WeakPolarHBondContact O-CG2 3.49Å; N724-V728 PolarHBondContact O-N 3.19Å; V725-V728 PolarHBondContact O-N 3.34Å; V728-N730 VanDerWaalsContact C-N 3.27Å; V728-N730 PolarHBondContact O-N 2.82Å
729	K	55.4	Low	49.1	Very low	78 Å²	78	91.2 Å²	91.2	34%	0.339	52%	0.519	S	S	.	.	H	α-helix	trans	-66.5	-26.6	171.5	-170.8	177.5	-179.3	178.6	0	112.7	V725 R726 A727 D798 Y799	V725-K729 PolarHBondContact O-N 3.02Å; R726-K729 PolarHBondContact O-N 3.25Å; A727-K729 PolarHBondContact O-N 2.85Å; K729-D798 VanDerWaalsContact NZ-CB 3.3Å; K729-D798 IonicContact NZ-OD2 2.84Å; K729-D798 PolarHBondContact NZ-OD2 2.85Å; K729-Y799 HydrophobicContact CB-CD2 4.41Å
730	N	56.9	Low	47	Very low	112 Å²	112	96.5 Å²	96.5	60%	0.599	55%	0.545	S	S	*	.	H	α-helix	trans	-95.7	-33.8	-175.4	-66	-5.7	0	0	0	113.4	R726 A727 V728 C732	R726-N730 PolarHBondContact O-N 3.37Å; R726-N730 PolarHBondContact O-OD1 2.6Å; A727-N730 WeakPolarHBondContact O-CA 3.25Å; A727-N730 WeakPolarHBondContact O-CB 3.46Å; A727-N730 PolarHBondContact O-N 3.31Å; V728-N730 VanDerWaalsContact C-N 3.27Å; V728-N730 PolarHBondContact O-N 2.82Å; N730-C732 PolarHBondContact O-N 3.31Å
731	E	41.8	Very low	44.8	Very low	137 Å²	137	97.4 Å²	97.4	64%	0.64	57%	0.566	S	S	*	*			trans	-75.9	24.8	-174.1	-69.3	-179.8	173	0	0	115.2	A727 T733	A727-E731 PolarHBondContact O-N 3.41Å; E731-T733 PolarHBondContact O-N 2.86Å
732	C	31.9	Very low	43	Very low	111 Å²	111	97.7 Å²	97.7	75%	0.75	58%	0.582	S	S	*	*			trans	-80	10.2	174.9	-90.7	0	0	0	0	114.3	N730	N730-C732 PolarHBondContact O-N 3.31Å
733	T	28.7	Very low	41.1	Very low	101 Å²	101	102.9 Å²	102.9	62%	0.62	62%	0.618	S	S	*	*	S	Bend	trans	-103.3	139.4	168.9	48.4	0	0	0	0	110.6	E731 V735	E731-T733 PolarHBondContact O-N 2.86Å; T733-V735 PolarHBondContact O-N 3.45Å; T733-V735 VanDerWaalsContact O-N 3.16Å
734	P	29.2	Very low	39.6	Very low	134 Å²	134	104.6 Å²	104.6	87%	0.87	63%	0.631	S	S	*	*			trans	-79	104.5	-167.7	30.2	-35	0	0	0	112.9
735	V	27.3	Very low	38.4	Very low	121 Å²	121	103.8 Å²	103.8	73%	0.733	63%	0.631	S	S	*	*			trans	-108.5	140.9	168.2	-176.6	0	0	0	0	109.3	T733	T733-V735 PolarHBondContact O-N 3.45Å; T733-V735 VanDerWaalsContact O-N 3.16Å
736	P	30.6	Very low	37.8	Very low	111 Å²	111	106.7 Å²	106.7	72%	0.721	65%	0.646	S	S	*	*			trans	-61.2	138.9	-176.7	-25.8	35.8	0	0	0	114.3	T738	P736-T738 PolarHBondContact O-N 3.45Å
737	Q	26.6	Very low	37.2	Very low	200 Å²	200	106.5 Å²	106.5	94%	0.935	65%	0.65	S	S	*	*			trans	-75.5	90.1	-177	-69.5	-176.9	-20.2	0	0	112.7
738	T	25.7	Very low	36.8	Very low	128 Å²	128	111.9 Å²	111.9	79%	0.785	66%	0.662	S	S	*	*			trans	-139.4	129.2	163	22.5	0	0	0	0	109.4	P736	P736-T738 PolarHBondContact O-N 3.45Å
739	A	24.9	Very low	37	Very low	99 Å²	99	112.1 Å²	112.1	82%	0.818	66%	0.662	S	S	*	*	S	Bend	trans	61.4	87.1	-175.9	0	0	0	0	0	116.4
740	L	27.5	Very low	37.5	Very low	165 Å²	165	109.2 Å²	109.2	86%	0.864	65%	0.649	S	S	*	*			trans	-172.5	110.5	131.8	-102.8	166.8	0	0	0	110.3	G742	L740-G742 VanDerWaalsContact C-N 3.35Å; L740-G742 PolarHBondContact O-N 2.87Å; L740-G742 VanDerWaalsContact O-N 3.09Å
741	S	23.7	Very low	38	Very low	134 Å²	134	107.6 Å²	107.6	94%	0.937	64%	0.641	S	S	*	*			trans	-85.9	70.2	-178.9	58.4	0	0	0	0	111.9
742	G	27.6	Very low	39.2	Very low	63 Å²	63	105.6 Å²	105.6	65%	0.649	63%	0.631	S	S	*	*			trans	-108.4	138.4	176.6	0	0	0	0	0	112.9	L740	L740-G742 VanDerWaalsContact C-N 3.35Å; L740-G742 PolarHBondContact O-N 2.87Å; L740-G742 VanDerWaalsContact O-N 3.09Å
743	S	31.3	Very low	40.7	Very low	110 Å²	110	100.8 Å²	100.8	77%	0.769	60%	0.598	S	S	*	*			trans	-68.7	140.6	168.3	179.6	0	0	0	0	110.1	C745	S743-C745 PolarHBondContact O-N 3.35Å
744	P	38	Very low	42.7	Very low	107 Å²	107	96.7 Å²	96.7	70%	0.695	57%	0.572	S	S	*	*			trans	-53	137.6	168.2	-24.7	34.2	0	0	0	111.3	D746	P744-D746 PolarHBondContact O-N 3.22Å
745	C	38.7	Very low	44.6	Very low	65 Å²	65	92.2 Å²	92.2	44%	0.439	55%	0.547	S	S	.	.			trans	-70.9	115.4	-179.7	-55.5	0	0	0	0	110.8	S743 E747	S743-C745 PolarHBondContact O-N 3.35Å; C745-E747 PolarHBondContact O-N 2.92Å
746	D	48.1	Very low	46.5	Very low	71 Å²	71	90.5 Å²	90.5	38%	0.38	53%	0.527	S	S	.	.			trans	-65.7	128.6	172.2	-166.8	-47.9	0	0	0	110.1	P744 R748 N749	P744-D746 PolarHBondContact O-N 3.22Å; D746-R748 PolarHBondContact O-N 3.3Å; D746-R748 VanDerWaalsContact O-N 3.1Å; D746-R748 VanDerWaalsContact OD1-CB 3.28Å; D746-R748 WeakPolarHBondContact OD1-CB 3.36Å; D746-R748 WeakPolarHBondContact OD1-CG 3.45Å; D746-R748 IonicContact OD1-CZ 3.65Å; D746-R748 PolarHBondContact OD1-N 2.88Å; D746-R748 IonicContact OD1-NE 3.12Å; D746-R748 PolarHBondContact OD1-NE 2.9Å; D746-R748 IonicContact OD1-NH2 3.73Å; D746-R748 IonicContact OD2-CZ 3.81Å; D746-R748 IonicContact OD2-NE 2.74Å; D746-R748 PolarHBondContact OD2-NE 3.43Å; D746-R748 IonicContact OD2-NH2 3.82Å; D746-R748 PolarHBondContact OD2-NH2 3.49Å; D746-N749 VanDerWaalsContact O-CB 3.3Å; D746-N749 WeakPolarHBondContact O-CB 3.36Å; D746-N749 PolarHBondContact O-N 2.78Å
747	E	51.4	Low	48.3	Very low	94 Å²	94	85.4 Å²	85.4	44%	0.439	49%	0.494	S	S	.	.	H	α-helix	trans	-53.2	-34.4	-179.9	-64.7	-178.2	156.7	0	0	112.5	C745 N749 I750 D751 R803	C745-E747 PolarHBondContact O-N 2.92Å; E747-N749 PolarHBondContact O-N 2.88Å; E747-I750 PolarHBondContact O-N 3Å; E747-I750 VanDerWaalsContact O-N 3.12Å; E747-D751 PolarHBondContact O-N 3.41Å; E747-R803 IonicContact OE1-CZ 3.94Å; E747-R803 IonicContact OE1-NE 3.78Å; E747-R803 PolarHBondContact OE1-NE 2.91Å; E747-R803 IonicContact OE1-NH2 2.95Å; E747-R803 PolarHBondContact OE1-NH2 3.29Å
748	R	50.8	Low	50.4	Low	148 Å²	148	81 Å²	81	56%	0.558	47%	0.47	S	S	*	.	H	α-helix	trans	-64.2	-29.5	-179.6	-62.2	173.8	-74	-170.5	-2.7	112.1	C308 D746 E752	C308-R748 PolarHBondContact SG-NH1 3.32Å; D746-R748 PolarHBondContact O-N 3.3Å; D746-R748 VanDerWaalsContact O-N 3.1Å; D746-R748 VanDerWaalsContact OD1-CB 3.28Å; D746-R748 WeakPolarHBondContact OD1-CB 3.36Å; D746-R748 WeakPolarHBondContact OD1-CG 3.45Å; D746-R748 IonicContact OD1-CZ 3.65Å; D746-R748 PolarHBondContact OD1-N 2.88Å; D746-R748 IonicContact OD1-NE 3.12Å; D746-R748 PolarHBondContact OD1-NE 2.9Å; D746-R748 IonicContact OD1-NH2 3.73Å; D746-R748 IonicContact OD2-CZ 3.81Å; D746-R748 IonicContact OD2-NE 2.74Å; D746-R748 PolarHBondContact OD2-NE 3.43Å; D746-R748 IonicContact OD2-NH2 3.82Å; D746-R748 PolarHBondContact OD2-NH2 3.49Å; R748-E752 PolarHBondContact O-N 2.85Å; R748-E752 VanDerWaalsContact O-N 3.1Å
749	N	61.2	Low	52.2	Low	66 Å²	66	81.5 Å²	81.5	35%	0.353	46%	0.457	S	S	.	.	H	α-helix	trans	-71.3	-36	176.3	-162	29.3	0	0	0	111.1	D746 E747 E752 E753	D746-N749 VanDerWaalsContact O-CB 3.3Å; D746-N749 WeakPolarHBondContact O-CB 3.36Å; D746-N749 PolarHBondContact O-N 2.78Å; E747-N749 PolarHBondContact O-N 2.88Å; N749-E752 PolarHBondContact O-N 3.14Å; N749-E753 WeakPolarHBondContact O-CB 3.28Å; N749-E753 PolarHBondContact O-N 3.15Å
750	I	65.9	Low	54.1	Low	16 Å²	16	77.9 Å²	77.9	8%	0.082	42%	0.424	C	S	.	.	H	α-helix	trans	-65	-45.4	178	-52.8	180	0	0	0	110.5	V725 E747 E753 I754 A796 Y799	V725-I750 HydrophobicContact CG1-CD1 4.38Å; V725-I750 HydrophobicContact CG2-CD1 4.05Å; V725-I750 HydrophobicContact CG2-CG1 4.01Å; E747-I750 PolarHBondContact O-N 3Å; E747-I750 VanDerWaalsContact O-N 3.12Å; I750-E753 PolarHBondContact O-N 3.42Å; I750-I754 HydrophobicContact CG2-CD1 3.94Å; I750-I754 HydrophobicContact CG2-CG1 4.49Å; I750-I754 WeakPolarHBondContact O-CG1 3.49Å; I750-I754 PolarHBondContact O-N 2.88Å; I750-A796 HydrophobicContact CG2-CB 4.32Å; I750-Y799 HydrophobicContact CD1-CD1 4.11Å; I750-Y799 HydrophobicContact CD1-CE1 3.97Å
751	D	66.4	Low	55.7	Low	79 Å²	79	72 Å²	72	42%	0.422	39%	0.393	S	S	.	.	H	α-helix	trans	-65.8	-35.9	176.2	-92.4	-10.4	0	0	0	112.6	E747 A755 K800	E747-D751 PolarHBondContact O-N 3.41Å; D751-A755 WeakPolarHBondContact O-CB 3.4Å; D751-A755 PolarHBondContact O-N 2.68Å; D751-K800 IonicContact OD1-NZ 2.68Å; D751-K800 PolarHBondContact OD1-NZ 2.9Å; D751-K800 IonicContact OD2-NZ 3.29Å; D751-K800 PolarHBondContact OD2-NZ 2.86Å
752	E	66.8	Low	57.2	Low	94 Å²	94	69.5 Å²	69.5	44%	0.439	38%	0.376	S	S	.	.	H	α-helix	trans	-65.8	-41	170.5	-81.7	-148.1	110.5	0	0	112.5	R748 N749 A755 R756	R748-E752 PolarHBondContact O-N 2.85Å; R748-E752 VanDerWaalsContact O-N 3.1Å; N749-E752 PolarHBondContact O-N 3.14Å; E752-A755 CarbonylContact O-C 3.6Å; E752-A755 PolarHBondContact O-N 2.96Å; E752-R756 WeakPolarHBondContact O-CG 3.42Å; E752-R756 PolarHBondContact O-N 3.48Å; E752-R756 IonicContact OE1-CZ 3.35Å; E752-R756 IonicContact OE1-NH2 2.74Å; E752-R756 PolarHBondContact OE1-NH2 3.08Å; E752-R756 VanDerWaalsContact OE1-NH2 3.08Å; E752-R756 IonicContact OE2-CZ 3.5Å; E752-R756 IonicContact OE2-NH1 3.79Å; E752-R756 IonicContact OE2-NH2 3.71Å; E752-R756 PolarHBondContact OE2-NH2 3.38Å
753	E	64.3	Low	58.3	Low	11 Å²	11	71.8 Å²	71.8	5%	0.051	37%	0.373	C	S	.	.	H	α-helix	trans	-74.4	-39.2	-173.3	-140	71.3	151.3	0	0	112.8	I718 N721 N749 I750 A755 R756 A757	I718-E753 HydrophobicContact CB-CG 4.37Å; I718-E753 HydrophobicContact CG1-CG 4.02Å; I718-E753 HydrophobicContact CG2-CG 4.23Å; N721-E753 HydrophobicContact CB-CG 4.02Å; N721-E753 PolarHBondContact ND2-OE1 3.29Å; N749-E753 WeakPolarHBondContact O-CB 3.28Å; N749-E753 PolarHBondContact O-N 3.15Å; I750-E753 PolarHBondContact O-N 3.42Å; E753-A755 VanDerWaalsContact C-N 3.3Å; E753-A755 PolarHBondContact O-N 3.2Å; E753-R756 PolarHBondContact O-N 3.03Å; E753-R756 VanDerWaalsContact OE2-CD 3.32Å; E753-R756 WeakPolarHBondContact OE2-CD 3.49Å; E753-R756 IonicContact OE2-CZ 3.04Å; E753-R756 IonicContact OE2-NE 3.77Å; E753-R756 IonicContact OE2-NH1 3.69Å; E753-R756 PolarHBondContact OE2-NH1 3.37Å; E753-A757 WeakPolarHBondContact O-CB 3.44Å; E753-A757 PolarHBondContact O-N 2.83Å
754	I	70.9	Confident	59	Low	15 Å²	15	69.4 Å²	69.4	8%	0.077	35%	0.351	C	S	.	.	H	α-helix	trans	-58.8	-45	167.2	-66.6	170.9	0	0	0	109.5	I750 R756 A757 Y758 I793 A796 E797	I750-I754 HydrophobicContact CG2-CD1 3.94Å; I750-I754 HydrophobicContact CG2-CG1 4.49Å; I750-I754 WeakPolarHBondContact O-CG1 3.49Å; I750-I754 PolarHBondContact O-N 2.88Å; I754-R756 VanDerWaalsContact C-N 3.33Å; I754-R756 PolarHBondContact O-N 3.39Å; I754-A757 PolarHBondContact O-N 2.86Å; I754-Y758 HydrophobicContact CG2-CD2 3.72Å; I754-Y758 HydrophobicContact CG2-CE2 3.45Å; I754-Y758 VanDerWaalsContact CG2-CE2 3.45Å; I754-Y758 VanDerWaalsContact O-CD2 3.27Å; I754-Y758 WeakPolarHBondContact O-CD2 3.47Å; I754-Y758 PolarHBondContact O-N 2.94Å; I754-Y758 VanDerWaalsContact O-N 3.09Å; I754-I793 HydrophobicContact CG2-CG2 4.46Å; I754-A796 HydrophobicContact CD1-CB 4.03Å; I754-A796 HydrophobicContact CG1-CB 4.38Å; I754-E797 HydrophobicContact CD1-CG 4.2Å
755	A	69.5	Low	59.3	Low	40 Å²	40	69.6 Å²	69.6	33%	0.331	34%	0.343	S	S	.	.	H	α-helix	trans	-69.2	-24.6	177	0	0	0	0	0	114	D751 E752 E753 R759	D751-A755 WeakPolarHBondContact O-CB 3.4Å; D751-A755 PolarHBondContact O-N 2.68Å; E752-A755 CarbonylContact O-C 3.6Å; E752-A755 PolarHBondContact O-N 2.96Å; E753-A755 VanDerWaalsContact C-N 3.3Å; E753-A755 PolarHBondContact O-N 3.2Å; A755-R759 WeakPolarHBondContact O-CB 3.39Å; A755-R759 WeakPolarHBondContact O-CG 3.31Å; A755-R759 PolarHBondContact O-N 3.26Å; A755-R759 PolarHBondContact O-NE 3.39Å
756	R	67.6	Low	59.3	Low	84 Å²	84	70.2 Å²	70.2	32%	0.317	35%	0.353	S	S	.	.	H	α-helix	trans	-77.7	-40.2	172.3	-74.9	-179.5	-168.8	117.1	7.2	110.7	I718 E752 E753 I754 R759 L760	I718-R756 HydrophobicContact CD1-CB 3.72Å; I718-R756 HydrophobicContact CG1-CB 4.39Å; E752-R756 WeakPolarHBondContact O-CG 3.42Å; E752-R756 PolarHBondContact O-N 3.48Å; E752-R756 IonicContact OE1-CZ 3.35Å; E752-R756 IonicContact OE1-NH2 2.74Å; E752-R756 PolarHBondContact OE1-NH2 3.08Å; E752-R756 VanDerWaalsContact OE1-NH2 3.08Å; E752-R756 IonicContact OE2-CZ 3.5Å; E752-R756 IonicContact OE2-NH1 3.79Å; E752-R756 IonicContact OE2-NH2 3.71Å; E752-R756 PolarHBondContact OE2-NH2 3.38Å; E753-R756 PolarHBondContact O-N 3.03Å; E753-R756 VanDerWaalsContact OE2-CD 3.32Å; E753-R756 WeakPolarHBondContact OE2-CD 3.49Å; E753-R756 IonicContact OE2-CZ 3.04Å; E753-R756 IonicContact OE2-NE 3.77Å; E753-R756 IonicContact OE2-NH1 3.69Å; E753-R756 PolarHBondContact OE2-NH1 3.37Å; I754-R756 VanDerWaalsContact C-N 3.33Å; I754-R756 PolarHBondContact O-N 3.39Å; R756-R759 PolarHBondContact O-N 3.18Å; R756-L760 PolarHBondContact O-N 3.09Å
757	A	68.1	Low	59	Low	4 Å²	4	71.2 Å²	71.2	3%	0.033	37%	0.366	C	S	.	.	H	α-helix	trans	-58.9	-54.1	175.8	0	0	0	0	0	111.9	I718 E753 I754 R759 L760 D761 I793	I718-A757 HydrophobicContact CG2-CB 4.06Å; E753-A757 WeakPolarHBondContact O-CB 3.44Å; E753-A757 PolarHBondContact O-N 2.83Å; I754-A757 PolarHBondContact O-N 2.86Å; A757-R759 VanDerWaalsContact C-N 3.29Å; A757-R759 PolarHBondContact O-N 3.41Å; A757-L760 PolarHBondContact O-N 3.44Å; A757-L760 VanDerWaalsContact O-N 3.11Å; A757-D761 PolarHBondContact O-N 3.43Å; A757-I793 HydrophobicContact CB-CD1 3.89Å; A757-I793 HydrophobicContact CB-CG1 4.26Å
758	Y	69.3	Low	58.4	Low	108 Å²	108	69.9 Å²	69.9	42%	0.424	37%	0.366	S	S	.	.	H	α-helix	trans	-62	-32.8	177.3	-72.5	-58	0	0	0	113.2	I754 S762 I793 E797	I754-Y758 HydrophobicContact CG2-CD2 3.72Å; I754-Y758 HydrophobicContact CG2-CE2 3.45Å; I754-Y758 VanDerWaalsContact CG2-CE2 3.45Å; I754-Y758 VanDerWaalsContact O-CD2 3.27Å; I754-Y758 WeakPolarHBondContact O-CD2 3.47Å; I754-Y758 PolarHBondContact O-N 2.94Å; I754-Y758 VanDerWaalsContact O-N 3.09Å; Y758-S762 WeakPolarHBondContact O-CB 3.41Å; Y758-S762 PolarHBondContact O-N 3.11Å; Y758-S762 PolarHBondContact O-OG 2.85Å; Y758-I793 HydrophobicContact CE2-CG2 4.2Å; Y758-E797 PolarHBondContact OH-OE1 3.1Å
759	R	64.8	Low	57.6	Low	139 Å²	139	66.9 Å²	66.9	53%	0.525	38%	0.381	S	S	.	.	H	α-helix	trans	-68.2	-38.1	173.5	-86	179.9	-75.2	176.7	-3.6	112.6	A755 R756 A757 L763	A755-R759 WeakPolarHBondContact O-CB 3.39Å; A755-R759 WeakPolarHBondContact O-CG 3.31Å; A755-R759 PolarHBondContact O-N 3.26Å; A755-R759 PolarHBondContact O-NE 3.39Å; R756-R759 PolarHBondContact O-N 3.18Å; A757-R759 VanDerWaalsContact C-N 3.29Å; A757-R759 PolarHBondContact O-N 3.41Å; R759-L763 WeakPolarHBondContact O-CG 3.28Å; R759-L763 PolarHBondContact O-N 2.87Å; R759-L763 VanDerWaalsContact O-N 3.15Å
760	L	63.6	Low	56.2	Low	22 Å²	22	67.4 Å²	67.4	12%	0.115	40%	0.403	C	S	.	.	H	α-helix	trans	-70.4	-33.1	176.4	-85.6	159.8	0	0	0	112.8	L711 A714 K715 I718 R756 A757 L763 N764	L711-L760 HydrophobicContact CD1-CD2 3.43Å; L711-L760 VanDerWaalsContact CD1-CD2 3.43Å; L711-L760 HydrophobicContact CG-CD2 3.87Å; A714-L760 HydrophobicContact CB-CD1 4.22Å; K715-L760 HydrophobicContact CG-CD1 4.34Å; K715-L760 HydrophobicContact CG-CD2 4.49Å; I718-L760 HydrophobicContact CD1-CD1 3.27Å; R756-L760 PolarHBondContact O-N 3.09Å; A757-L760 PolarHBondContact O-N 3.44Å; A757-L760 VanDerWaalsContact O-N 3.11Å; L760-L763 PolarHBondContact O-N 3.23Å; L760-N764 PolarHBondContact O-N 2.97Å
761	D	62.7	Low	54.6	Low	41 Å²	41	70.4 Å²	70.4	22%	0.219	44%	0.438	C	S	.	.	H	α-helix	trans	-70.1	-41.6	174.2	-153.6	37.2	0	0	0	111.2	A757 L763 N764 E765 L785	A757-D761 PolarHBondContact O-N 3.43Å; D761-L763 PolarHBondContact O-N 2.99Å; D761-N764 WeakPolarHBondContact O-CA 3.32Å; D761-N764 VanDerWaalsContact O-CB 3.26Å; D761-N764 WeakPolarHBondContact O-CB 3.49Å; D761-N764 PolarHBondContact O-N 3.29Å; D761-E765 PolarHBondContact O-N 3.5Å; D761-L785 HydrophobicContact CB-CD1 4.07Å; D761-L785 HydrophobicContact CB-CG 4.22Å; D761-L785 WeakPolarHBondContact OD2-CD1 3.28Å
762	S	55.1	Low	52.9	Low	82 Å²	82	71 Å²	71	57%	0.573	46%	0.462	S	S	*	.	H	α-helix	trans	-58	-33.8	172.4	-56.6	0	0	0	0	113.3	Y758 N764	Y758-S762 WeakPolarHBondContact O-CB 3.41Å; Y758-S762 PolarHBondContact O-N 3.11Å; Y758-S762 PolarHBondContact O-OG 2.85Å; S762-N764 VanDerWaalsContact C-N 3.32Å
763	L	49.7	Very low	51.3	Low	112 Å²	112	70.2 Å²	70.2	59%	0.586	48%	0.479	S	S	*	.	H	α-helix	trans	-75.5	-21.6	173.3	-72	169	0	0	0	112.7	R759 L760 D761	R759-L763 WeakPolarHBondContact O-CG 3.28Å; R759-L763 PolarHBondContact O-N 2.87Å; R759-L763 VanDerWaalsContact O-N 3.15Å; L760-L763 PolarHBondContact O-N 3.23Å; D761-L763 PolarHBondContact O-N 2.99Å
764	N	47	Very low	49.6	Very low	60 Å²	60	75.2 Å²	75.2	32%	0.321	51%	0.511	S	S	.	.	H	α-helix	trans	-83.6	-42.7	-178.9	-143.6	87.6	0	0	0	111.1	K715 L760 D761 S762 A766 S767 S768	K715-N764 PolarHBondContact NZ-OD1 3.44Å; L760-N764 PolarHBondContact O-N 2.97Å; D761-N764 WeakPolarHBondContact O-CA 3.32Å; D761-N764 VanDerWaalsContact O-CB 3.26Å; D761-N764 WeakPolarHBondContact O-CB 3.49Å; D761-N764 PolarHBondContact O-N 3.29Å; S762-N764 VanDerWaalsContact C-N 3.32Å; N764-A766 VanDerWaalsContact C-N 3.32Å; N764-A766 PolarHBondContact O-N 2.86Å; N764-S767 WeakPolarHBondContact O-CB 3.32Å; N764-S767 PolarHBondContact O-N 2.87Å; N764-S768 PolarHBondContact O-N 3.35Å
765	E	43.4	Very low	47.8	Very low	110 Å²	110	82 Å²	82	51%	0.514	55%	0.546	S	S	.	.	H	α-helix	trans	-62.4	-37.9	173.4	-65.6	-146.3	124.9	0	0	112.5	D761 S767 S768 S783	D761-E765 PolarHBondContact O-N 3.5Å; E765-S767 PolarHBondContact O-N 3.2Å; E765-S768 PolarHBondContact O-N 2.99Å; E765-S768 PolarHBondContact O-OG 3.03Å; E765-S783 PolarHBondContact OE1-OG 3.17Å
766	A	38	Very low	45.8	Very low	78 Å²	78	90.1 Å²	90.1	65%	0.645	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-9.8	173.6	0	0	0	0	0	113.8	N764	N764-A766 VanDerWaalsContact C-N 3.32Å; N764-A766 PolarHBondContact O-N 2.86Å
767	S	41.8	Very low	43.9	Very low	93 Å²	93	93.6 Å²	93.6	65%	0.65	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.4	-4.4	-179	-168.9	0	0	0	0	114.6	N764 E765	N764-S767 WeakPolarHBondContact O-CB 3.32Å; N764-S767 PolarHBondContact O-N 2.87Å; E765-S767 PolarHBondContact O-N 3.2Å
768	S	40.5	Very low	42.1	Very low	65 Å²	65	103 Å²	103	46%	0.455	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	-114.8	-11.5	-175	59.7	0	0	0	0	115.4	N764 E765 G770	N764-S768 PolarHBondContact O-N 3.35Å; E765-S768 PolarHBondContact O-N 2.99Å; E765-S768 PolarHBondContact O-OG 3.03Å; S768-G770 VanDerWaalsContact C-N 3.26Å; S768-G770 PolarHBondContact O-N 3.45Å
769	G	32.8	Very low	40	Very low	85 Å²	85	106.7 Å²	106.7	88%	0.876	66%	0.658	S	S	*	*			trans	-73	62.7	-179.1	0	0	0	0	0	115
770	G	31.2	Very low	38.3	Very low	78 Å²	78	108.6 Å²	108.6	80%	0.804	68%	0.676	S	S	*	*			trans	-153.8	42.6	-168.8	0	0	0	0	0	116.6	S768	S768-G770 VanDerWaalsContact C-N 3.26Å; S768-G770 PolarHBondContact O-N 3.45Å
771	G	33.2	Very low	36.7	Very low	79 Å²	79	110.7 Å²	110.7	81%	0.814	69%	0.692	S	S	*	*			trans	-143.9	116.5	177.4	0	0	0	0	0	113.4
772	G	31	Very low	35.4	Very low	90 Å²	90	119.3 Å²	119.3	93%	0.928	72%	0.721	S	S	*	*			trans	-100.5	114.8	170.6	0	0	0	0	0	111.1
773	G	32.6	Very low	34.3	Very low	78 Å²	78	117.9 Å²	117.9	80%	0.804	71%	0.711	S	S	*	*			trans	-140.8	135.6	177.6	0	0	0	0	0	110.4
774	T	28.7	Very low	34.2	Very low	116 Å²	116	115.5 Å²	115.5	71%	0.712	70%	0.701	S	S	*	*			trans	-92.3	166.2	-172	49.9	0	0	0	0	113.3
775	I	32.6	Very low	34.5	Very low	158 Å²	158	114 Å²	114	81%	0.81	69%	0.693	S	S	*	*			trans	95.2	159.5	165.8	-60.5	154.9	0	0	0	113.8
776	Y	28.8	Very low	35.3	Very low	210 Å²	210	112.6 Å²	112.6	82%	0.824	69%	0.693	S	S	*	*			trans	-91	163	-156.3	-68.6	-102.8	0	0	0	113.6
777	D	27.1	Very low	36.5	Very low	158 Å²	158	115.4 Å²	115.4	85%	0.845	69%	0.693	S	S	*	*			trans	35.7	91.6	163.9	-71.3	-42.8	0	0	0	117.8
778	E	29.6	Very low	37.7	Very low	200 Å²	200	114.2 Å²	114.2	94%	0.935	69%	0.685	S	S	*	*			trans	-146.7	148.2	137	-126.8	177.9	161	0	0	111.5
779	Q	26.3	Very low	39	Very low	186 Å²	186	111.8 Å²	111.8	87%	0.869	67%	0.667	S	S	*	*			trans	-81.3	117.9	178.8	-56.5	173	-54.3	0	0	109.3
780	M	29.5	Very low	40.9	Very low	180 Å²	180	114.4 Å²	114.4	89%	0.887	65%	0.651	S	S	*	*			trans	-166.1	160.3	144.7	-128.3	43.3	159.3	0	0	115.9
781	S	29.2	Very low	43	Very low	66 Å²	66	114.6 Å²	114.6	46%	0.462	63%	0.631	S	S	.	*			trans	-56.9	173.9	175.5	57.8	0	0	0	0	117
782	R	35.5	Very low	45	Very low	222 Å²	222	111.3 Å²	111.3	84%	0.838	59%	0.594	S	S	*	*			trans	93.3	137.3	168.5	-53.7	154.5	-179.5	179.3	0.4	114.2
783	S	31.6	Very low	47.1	Very low	51 Å²	51	107.3 Å²	107.3	36%	0.357	55%	0.552	S	S	.	*	S	Bend	cis	-72.2	117.6	-1.8	37.3	0	0	0	0	112.9	E765	E765-S783 PolarHBondContact OE1-OG 3.17Å
784	V	47.1	Very low	49.3	Very low	62 Å²	62	108.8 Å²	108.8	38%	0.376	54%	0.538	S	S	.	.	S	Bend	trans	-135	141.5	170	-167.7	0	0	0	0	105.1
785	L	54.8	Low	51.4	Low	29 Å²	29	103.9 Å²	103.9	15%	0.152	51%	0.509	C	S	.	.			trans	-42	136.8	159.1	-87.7	146	0	0	0	109.4	D761 E787 T789 R790 I793	D761-L785 HydrophobicContact CB-CD1 4.07Å; D761-L785 HydrophobicContact CB-CG 4.22Å; D761-L785 WeakPolarHBondContact OD2-CD1 3.28Å; L785-E787 PolarHBondContact O-N 2.89Å; L785-T789 HydrophobicContact CD2-CG2 3.62Å; L785-R790 HydrophobicContact CB-CB 4.47Å; L785-I793 HydrophobicContact CD1-CD1 3.73Å; L785-I793 HydrophobicContact CD2-CD1 4.2Å
786	P	58.7	Low	53.2	Low	80 Å²	80	96.4 Å²	96.4	52%	0.519	47%	0.471	S	S	.	.			trans	-48.6	140.2	176.9	-26.7	33.8	0	0	0	110.6	S788 T789 R790	P786-S788 PolarHBondContact O-N 2.95Å; P786-T789 CarbonylContact O-C 3.58Å; P786-T789 WeakPolarHBondContact O-CA 3.27Å; P786-T789 PolarHBondContact O-N 3.06Å; P786-R790 PolarHBondContact O-N 3.32Å
787	E	63.1	Low	55.4	Low	138 Å²	138	89 Å²	89	65%	0.645	44%	0.444	S	S	*	.	H	α-helix	trans	-45.4	-46.6	-175.8	-136	78.1	-134.2	0	0	111.2	L785 T789 R790 E791	L785-E787 PolarHBondContact O-N 2.89Å; E787-T789 PolarHBondContact O-N 2.93Å; E787-R790 WeakPolarHBondContact O-CB 3.4Å; E787-R790 PolarHBondContact O-N 3.29Å; E787-R790 VanDerWaalsContact O-N 3.14Å; E787-E791 WeakPolarHBondContact O-CG 3.41Å; E787-E791 PolarHBondContact O-N 3.39Å
788	S	67.2	Low	57.7	Low	67 Å²	67	84.6 Å²	84.6	47%	0.469	42%	0.42	S	S	.	.	H	α-helix	trans	-60.4	-39.2	175.6	54.4	0	0	0	0	114.5	P786 L792	P786-S788 PolarHBondContact O-N 2.95Å; S788-L792 VanDerWaalsContact O-CB 3.3Å; S788-L792 WeakPolarHBondContact O-CB 3.42Å; S788-L792 WeakPolarHBondContact O-CD1 3.34Å; S788-L792 WeakPolarHBondContact O-CG 3.49Å; S788-L792 PolarHBondContact O-N 3.29Å
789	T	68.7	Low	59.6	Low	15 Å²	15	77.5 Å²	77.5	9%	0.092	39%	0.385	C	S	.	.	H	α-helix	trans	-73.6	-32.3	174.8	-43.9	0	0	0	0	111.6	V719 L785 P786 E787 L792 I793	V719-T789 HydrophobicContact CG2-CG2 4.44Å; L785-T789 HydrophobicContact CD2-CG2 3.62Å; P786-T789 CarbonylContact O-C 3.58Å; P786-T789 WeakPolarHBondContact O-CA 3.27Å; P786-T789 PolarHBondContact O-N 3.06Å; E787-T789 PolarHBondContact O-N 2.93Å; T789-L792 PolarHBondContact O-N 3.29Å; T789-I793 HydrophobicContact CG2-CD1 4.48Å; T789-I793 WeakPolarHBondContact O-CG1 3.2Å; T789-I793 PolarHBondContact O-N 2.74Å
790	R	72	Confident	61.7	Low	139 Å²	139	72 Å²	72	53%	0.525	36%	0.358	S	S	.	.	H	α-helix	trans	-67.9	-49	174.3	-173.1	178.1	-179.7	133.1	2.3	111	L785 P786 E787 L792 I793 E794	L785-R790 HydrophobicContact CB-CB 4.47Å; P786-R790 PolarHBondContact O-N 3.32Å; E787-R790 WeakPolarHBondContact O-CB 3.4Å; E787-R790 PolarHBondContact O-N 3.29Å; E787-R790 VanDerWaalsContact O-N 3.14Å; R790-L792 PolarHBondContact O-N 2.68Å; R790-I793 PolarHBondContact O-N 3.03Å; R790-E794 WeakPolarHBondContact O-CB 3.36Å; R790-E794 PolarHBondContact O-N 3.26Å
791	E	76.4	Confident	63.8	Low	83 Å²	83	68.5 Å²	68.5	39%	0.388	34%	0.335	S	S	.	.	H	α-helix	trans	-51.2	-42.1	169.3	-77.9	179.1	-127.5	0	0	111.9	R726 E787 E794 A795	R726-E791 IonicContact CZ-OE2 3.18Å; R726-E791 VanDerWaalsContact CZ-OE2 3.22Å; R726-E791 IonicContact NH1-OE2 3.63Å; R726-E791 PolarHBondContact NH1-OE2 3.45Å; R726-E791 IonicContact NH2-OE2 3.76Å; R726-E791 PolarHBondContact NH2-OE2 2.99Å; E787-E791 WeakPolarHBondContact O-CG 3.41Å; E787-E791 PolarHBondContact O-N 3.39Å; E791-E794 PolarHBondContact O-N 3.23Å; E791-A795 WeakPolarHBondContact O-CB 3.2Å; E791-A795 PolarHBondContact O-N 3.12Å
792	L	73.6	Confident	65.6	Low	9 Å²	9	68 Å²	68	5%	0.047	33%	0.331	C	S	.	.	H	α-helix	trans	-69.4	-37.2	-178.5	-80.9	170.3	0	0	0	113.1	V719 L722 V723 R726 S788 T789 R790 A796	V719-L792 HydrophobicContact CG1-CD1 4.32Å; L722-L792 HydrophobicContact CB-CB 3.91Å; L722-L792 HydrophobicContact CB-CD1 4.43Å; L722-L792 HydrophobicContact CB-CD2 4.21Å; L722-L792 HydrophobicContact CB-CG 4.42Å; L722-L792 HydrophobicContact CD1-CB 4.18Å; V723-L792 HydrophobicContact CG2-CD1 3.76Å; V723-L792 HydrophobicContact CG2-CD2 3.92Å; R726-L792 HydrophobicContact CB-CD2 3.92Å; R726-L792 HydrophobicContact CG-CD2 4.48Å; S788-L792 VanDerWaalsContact O-CB 3.3Å; S788-L792 WeakPolarHBondContact O-CB 3.42Å; S788-L792 WeakPolarHBondContact O-CD1 3.34Å; S788-L792 WeakPolarHBondContact O-CG 3.49Å; S788-L792 PolarHBondContact O-N 3.29Å; T789-L792 PolarHBondContact O-N 3.29Å; R790-L792 PolarHBondContact O-N 2.68Å; L792-A796 WeakPolarHBondContact O-CB 3.09Å; L792-A796 PolarHBondContact O-N 3.01Å
793	I	76.3	Confident	66.9	Low	6 Å²	6	58.5 Å²	58.5	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-68.6	-46.6	172.7	-66.6	161.4	0	0	0	109.9	L722 I754 A757 Y758 L785 T789 R790 A795 A796 E797	L722-I793 HydrophobicContact CD1-CG1 4Å; I754-I793 HydrophobicContact CG2-CG2 4.46Å; A757-I793 HydrophobicContact CB-CD1 3.89Å; A757-I793 HydrophobicContact CB-CG1 4.26Å; Y758-I793 HydrophobicContact CE2-CG2 4.2Å; L785-I793 HydrophobicContact CD1-CD1 3.73Å; L785-I793 HydrophobicContact CD2-CD1 4.2Å; T789-I793 HydrophobicContact CG2-CD1 4.48Å; T789-I793 WeakPolarHBondContact O-CG1 3.2Å; T789-I793 PolarHBondContact O-N 2.74Å; R790-I793 PolarHBondContact O-N 3.03Å; I793-A795 PolarHBondContact O-N 2.92Å; I793-A796 PolarHBondContact O-N 3.07Å; I793-E797 PolarHBondContact O-N 2.65Å
794	E	79	Confident	68.5	Low	109 Å²	109	61.6 Å²	61.6	51%	0.509	30%	0.304	S	S	.	.	H	α-helix	trans	-62.6	-42	179.5	-174.2	161.1	-156.8	0	0	111.9	R790 E791 A796 E797 D798	R790-E794 WeakPolarHBondContact O-CB 3.36Å; R790-E794 PolarHBondContact O-N 3.26Å; E791-E794 PolarHBondContact O-N 3.23Å; E794-A796 VanDerWaalsContact C-N 3.33Å; E794-A796 PolarHBondContact O-N 2.89Å; E794-E797 PolarHBondContact O-N 2.75Å; E794-D798 WeakPolarHBondContact O-CB 3.34Å; E794-D798 PolarHBondContact O-N 3.47Å
795	A	72.9	Confident	69.4	Low	14 Å²	14	65 Å²	65	12%	0.116	32%	0.316	C	S	.	.	H	α-helix	trans	-63.7	-35.1	174.4	0	0	0	0	0	113.1	E791 I793 Y799	E791-A795 WeakPolarHBondContact O-CB 3.2Å; E791-A795 PolarHBondContact O-N 3.12Å; I793-A795 PolarHBondContact O-N 2.92Å; A795-Y799 WeakPolarHBondContact O-CB 3.21Å; A795-Y799 PolarHBondContact O-N 3.38Å
796	A	70.6	Confident	69.5	Low	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-74.6	-40	176.2	0	0	0	0	0	112.3	L722 V725 I750 I754 L792 I793 E794 Y799 K800	L722-A796 HydrophobicContact CD2-CB 3.95Å; V725-A796 HydrophobicContact CG1-CB 3.99Å; I750-A796 HydrophobicContact CG2-CB 4.32Å; I754-A796 HydrophobicContact CD1-CB 4.03Å; I754-A796 HydrophobicContact CG1-CB 4.38Å; L792-A796 WeakPolarHBondContact O-CB 3.09Å; L792-A796 PolarHBondContact O-N 3.01Å; I793-A796 PolarHBondContact O-N 3.07Å; E794-A796 VanDerWaalsContact C-N 3.33Å; E794-A796 PolarHBondContact O-N 2.89Å; A796-Y799 PolarHBondContact O-N 2.83Å; A796-K800 PolarHBondContact O-N 2.85Å
797	E	75.2	Confident	69.5	Low	56 Å²	56	67.1 Å²	67.1	26%	0.262	32%	0.32	S	S	.	.	H	α-helix	trans	-63.5	-40.2	170.8	-72.7	-166.5	-172.8	0	0	111.8	I754 Y758 I793 E794 K800 R801	I754-E797 HydrophobicContact CD1-CG 4.2Å; Y758-E797 PolarHBondContact OH-OE1 3.1Å; I793-E797 PolarHBondContact O-N 2.65Å; E794-E797 PolarHBondContact O-N 2.75Å; E797-K800 CarbonylContact O-C 3.41Å; E797-K800 WeakPolarHBondContact O-CB 3.43Å; E797-K800 PolarHBondContact O-N 3.22Å; E797-R801 WeakPolarHBondContact O-CG 3.11Å; E797-R801 PolarHBondContact O-N 3.3Å; E797-R801 IonicContact OE2-CZ 3.11Å; E797-R801 IonicContact OE2-NH1 3.36Å; E797-R801 PolarHBondContact OE2-NH1 2.86Å; E797-R801 IonicContact OE2-NH2 2.71Å
798	D	75.4	Confident	69.1	Low	64 Å²	64	66.5 Å²	66.5	34%	0.342	31%	0.312	S	S	.	.	H	α-helix	trans	-63.2	-43	173.8	-91.2	3.2	0	0	0	112.9	K729 E794 K800 R801 S802	K729-D798 VanDerWaalsContact NZ-CB 3.3Å; K729-D798 IonicContact NZ-OD2 2.84Å; K729-D798 PolarHBondContact NZ-OD2 2.85Å; E794-D798 WeakPolarHBondContact O-CB 3.34Å; E794-D798 PolarHBondContact O-N 3.47Å; D798-K800 VanDerWaalsContact C-N 3.26Å; D798-K800 PolarHBondContact O-N 3.31Å; D798-R801 PolarHBondContact O-N 2.83Å; D798-R801 IonicContact OD1-CZ 3.61Å; D798-R801 IonicContact OD1-NE 2.69Å; D798-R801 PolarHBondContact OD1-NE 2.95Å; D798-R801 VanDerWaalsContact OD1-NE 3.1Å; D798-R801 IonicContact OD1-NH2 3.7Å; D798-R801 PolarHBondContact OD1-NH2 3.4Å; D798-S802 WeakPolarHBondContact O-CB 3.27Å; D798-S802 PolarHBondContact O-N 3.18Å
799	Y	69.3	Low	68.9	Low	52 Å²	52	66.5 Å²	66.5	20%	0.204	31%	0.31	C	S	.	.	H	α-helix	trans	-58.8	-43.5	174.4	176	-102.7	0	0	0	110	V725 K729 I750 A795 A796 R803	V725-Y799 HydrophobicContact CG1-CD1 4.23Å; V725-Y799 HydrophobicContact CG1-CG 4.45Å; K729-Y799 HydrophobicContact CB-CD2 4.41Å; I750-Y799 HydrophobicContact CD1-CD1 4.11Å; I750-Y799 HydrophobicContact CD1-CE1 3.97Å; A795-Y799 WeakPolarHBondContact O-CB 3.21Å; A795-Y799 PolarHBondContact O-N 3.38Å; A796-Y799 PolarHBondContact O-N 2.83Å; Y799-R803 WeakPolarHBondContact O-CB 3.42Å; Y799-R803 PolarHBondContact O-N 3.01Å; Y799-R803 PolarHBondContact OH-NH1 2.86Å
800	K	70.7	Confident	67.9	Low	69 Å²	69	66.9 Å²	66.9	30%	0.3	32%	0.315	S	S	.	.	H	α-helix	trans	-62.4	-47.5	173.2	-179.7	169.3	175	168.9	0	112.6	D751 A796 E797 D798 R803 E804	D751-K800 IonicContact OD1-NZ 2.68Å; D751-K800 PolarHBondContact OD1-NZ 2.9Å; D751-K800 IonicContact OD2-NZ 3.29Å; D751-K800 PolarHBondContact OD2-NZ 2.86Å; A796-K800 PolarHBondContact O-N 2.85Å; E797-K800 CarbonylContact O-C 3.41Å; E797-K800 WeakPolarHBondContact O-CB 3.43Å; E797-K800 PolarHBondContact O-N 3.22Å; D798-K800 VanDerWaalsContact C-N 3.26Å; D798-K800 PolarHBondContact O-N 3.31Å; K800-R803 PolarHBondContact O-N 3.2Å; K800-E804 WeakPolarHBondContact CE-OE1 3.18Å; K800-E804 HydrophobicContact CG-CG 4.48Å; K800-E804 WeakPolarHBondContact O-CB 3.33Å; K800-E804 WeakPolarHBondContact O-CG 3.37Å; K800-E804 PolarHBondContact O-N 2.93Å
801	R	72.5	Confident	67.2	Low	108 Å²	108	65 Å²	65	41%	0.408	31%	0.307	S	S	.	.	H	α-helix	trans	-56.7	-54.9	177.5	-76.3	-177.2	-81.3	-97.8	6.8	111.4	E797 D798 R803 E804 E805	E797-R801 WeakPolarHBondContact O-CG 3.11Å; E797-R801 PolarHBondContact O-N 3.3Å; E797-R801 IonicContact OE2-CZ 3.11Å; E797-R801 IonicContact OE2-NH1 3.36Å; E797-R801 PolarHBondContact OE2-NH1 2.86Å; E797-R801 IonicContact OE2-NH2 2.71Å; D798-R801 PolarHBondContact O-N 2.83Å; D798-R801 IonicContact OD1-CZ 3.61Å; D798-R801 IonicContact OD1-NE 2.69Å; D798-R801 PolarHBondContact OD1-NE 2.95Å; D798-R801 VanDerWaalsContact OD1-NE 3.1Å; D798-R801 IonicContact OD1-NH2 3.7Å; D798-R801 PolarHBondContact OD1-NH2 3.4Å; R801-R803 VanDerWaalsContact C-N 3.28Å; R801-R803 PolarHBondContact O-N 2.97Å; R801-E804 PolarHBondContact O-N 3.49Å; R801-E805 WeakPolarHBondContact O-CG 3.48Å; R801-E805 PolarHBondContact O-N 2.85Å
802	S	67	Low	66.4	Low	54 Å²	54	69.2 Å²	69.2	38%	0.378	32%	0.32	S	S	.	.	H	α-helix	trans	-60.2	-37.8	178.9	-174.7	0	0	0	0	112.1	D798 E805 Q806	D798-S802 WeakPolarHBondContact O-CB 3.27Å; D798-S802 PolarHBondContact O-N 3.18Å; S802-E805 PolarHBondContact O-N 2.88Å; S802-Q806 WeakPolarHBondContact O-CB 3.23Å; S802-Q806 VanDerWaalsContact O-CG 3.24Å; S802-Q806 WeakPolarHBondContact O-CG 3.19Å; S802-Q806 PolarHBondContact O-N 2.98Å; S802-Q806 PolarHBondContact O-NE2 3.03Å; S802-Q806 PolarHBondContact OG-NE2 2.86Å; S802-Q806 VanDerWaalsContact OG-NE2 3.14Å
803	R	63.1	Low	65.4	Low	23 Å²	23	73.9 Å²	73.9	9%	0.087	34%	0.344	C	S	.	.	H	α-helix	trans	-71.7	-38.8	178.6	-173.7	168.4	168.5	93.9	4.9	112.7	E747 Y799 K800 R801 Q806 I807 H834 H837	E747-R803 IonicContact OE1-CZ 3.94Å; E747-R803 IonicContact OE1-NE 3.78Å; E747-R803 PolarHBondContact OE1-NE 2.91Å; E747-R803 IonicContact OE1-NH2 2.95Å; E747-R803 PolarHBondContact OE1-NH2 3.29Å; Y799-R803 WeakPolarHBondContact O-CB 3.42Å; Y799-R803 PolarHBondContact O-N 3.01Å; Y799-R803 PolarHBondContact OH-NH1 2.86Å; K800-R803 PolarHBondContact O-N 3.2Å; R801-R803 VanDerWaalsContact C-N 3.28Å; R801-R803 PolarHBondContact O-N 2.97Å; R803-Q806 PolarHBondContact O-N 2.83Å; R803-I807 HydrophobicContact CG-CD1 4.28Å; R803-I807 WeakPolarHBondContact O-CB 3.24Å; R803-I807 WeakPolarHBondContact O-CD1 3.19Å; R803-I807 VanDerWaalsContact O-CG1 3.24Å; R803-I807 WeakPolarHBondContact O-CG1 3.45Å; R803-I807 PolarHBondContact O-N 2.79Å; R803-H834 WeakPolarHBondContact CG-NE2 3.3Å; R803-H834 PolarHBondContact NE-NE2 3.36Å; R803-H834 PolarHBondContact NH1-NE2 3.41Å; R803-H837 PolarHBondContact NH1-NE2 2.77Å; R803-H837 PolarHBondContact NH2-CE1 3.37Å; R803-H837 PolarHBondContact NH2-NE2 2.93Å
804	E	65.6	Low	64.3	Low	117 Å²	117	77.8 Å²	77.8	55%	0.547	36%	0.361	S	S	.	.	H	α-helix	trans	-63.1	-40.2	170	-76	-171.7	-157.7	0	0	111.6	K800 R801 I807 Y808	K800-E804 WeakPolarHBondContact CE-OE1 3.18Å; K800-E804 HydrophobicContact CG-CG 4.48Å; K800-E804 WeakPolarHBondContact O-CB 3.33Å; K800-E804 WeakPolarHBondContact O-CG 3.37Å; K800-E804 PolarHBondContact O-N 2.93Å; R801-E804 PolarHBondContact O-N 3.49Å; E804-I807 PolarHBondContact O-N 3Å; E804-Y808 WeakPolarHBondContact O-CB 3.45Å; E804-Y808 PolarHBondContact O-N 3.43Å
805	E	65.8	Low	63.5	Low	133 Å²	133	75.8 Å²	75.8	62%	0.621	35%	0.353	S	S	*	.	H	α-helix	trans	-65.9	-40.8	174.5	-73.7	-175.9	159.3	0	0	113	R801 S802 Y808 T809	R801-E805 WeakPolarHBondContact O-CG 3.48Å; R801-E805 PolarHBondContact O-N 2.85Å; S802-E805 PolarHBondContact O-N 2.88Å; E805-Y808 PolarHBondContact O-N 3.45Å; E805-T809 VanDerWaalsContact O-CB 3.22Å; E805-T809 WeakPolarHBondContact O-CB 3.46Å; E805-T809 PolarHBondContact O-N 2.81Å; E805-T809 PolarHBondContact O-OG1 2.91Å
806	Q	56.7	Low	62.2	Low	86 Å²	86	78.8 Å²	78.8	40%	0.402	38%	0.377	S	S	.	.	H	α-helix	trans	-63.5	-44.6	173.5	-74.7	172.5	52.8	0	0	111.1	S802 R803 Y808 T809 A810 H834	S802-Q806 WeakPolarHBondContact O-CB 3.23Å; S802-Q806 VanDerWaalsContact O-CG 3.24Å; S802-Q806 WeakPolarHBondContact O-CG 3.19Å; S802-Q806 PolarHBondContact O-N 2.98Å; S802-Q806 PolarHBondContact O-NE2 3.03Å; S802-Q806 PolarHBondContact OG-NE2 2.86Å; S802-Q806 VanDerWaalsContact OG-NE2 3.14Å; R803-Q806 PolarHBondContact O-N 2.83Å; Q806-Y808 PolarHBondContact O-N 3.12Å; Q806-T809 PolarHBondContact O-N 2.8Å; Q806-A810 VanDerWaalsContact O-CB 3.23Å; Q806-A810 WeakPolarHBondContact O-CB 3.33Å; Q806-A810 PolarHBondContact O-N 3.12Å; Q806-H834 WeakPolarHBondContact CB-CE1 3.38Å; Q806-H834 VanDerWaalsContact CD-CE1 3.41Å; Q806-H834 PolarHBondContact OE1-CE1 2.86Å; Q806-H834 PolarHBondContact OE1-ND1 2.88Å
807	I	57.9	Low	60.6	Low	67 Å²	67	81.2 Å²	81.2	34%	0.344	40%	0.403	S	S	.	.	H	α-helix	trans	-63.1	-41.6	175	-69.6	164.3	0	0	0	111.2	R803 E804 R811	R803-I807 HydrophobicContact CG-CD1 4.28Å; R803-I807 WeakPolarHBondContact O-CB 3.24Å; R803-I807 WeakPolarHBondContact O-CD1 3.19Å; R803-I807 VanDerWaalsContact O-CG1 3.24Å; R803-I807 WeakPolarHBondContact O-CG1 3.45Å; R803-I807 PolarHBondContact O-N 2.79Å; E804-I807 PolarHBondContact O-N 3Å; I807-R811 WeakPolarHBondContact O-CB 3.23Å; I807-R811 VanDerWaalsContact O-CG 3.27Å; I807-R811 WeakPolarHBondContact O-CG 3.38Å; I807-R811 PolarHBondContact O-N 2.82Å
808	Y	55.8	Low	59	Low	125 Å²	125	81.3 Å²	81.3	49%	0.49	42%	0.419	S	S	.	.	H	α-helix	trans	-66.7	-38.9	176.6	-178.1	-96.2	0	0	0	111.9	K299 E804 E805 Q806 R812	K299-Y808 PolarHBondContact NZ-OH 2.83Å; E804-Y808 WeakPolarHBondContact O-CB 3.45Å; E804-Y808 PolarHBondContact O-N 3.43Å; E805-Y808 PolarHBondContact O-N 3.45Å; Q806-Y808 PolarHBondContact O-N 3.12Å; Y808-R812 VanDerWaalsContact O-CB 3.26Å; Y808-R812 WeakPolarHBondContact O-CB 3.42Å; Y808-R812 PolarHBondContact O-N 2.94Å
809	T	62.4	Low	57.5	Low	67 Å²	67	84.3 Å²	84.3	41%	0.411	44%	0.439	S	S	.	.	H	α-helix	trans	-70.7	-44.1	178.1	-61	0	0	0	0	111.4	E805 Q806 R812 I813	E805-T809 VanDerWaalsContact O-CB 3.22Å; E805-T809 WeakPolarHBondContact O-CB 3.46Å; E805-T809 PolarHBondContact O-N 2.81Å; E805-T809 PolarHBondContact O-OG1 2.91Å; Q806-T809 PolarHBondContact O-N 2.8Å; T809-R812 PolarHBondContact O-N 2.9Å; T809-R812 VanDerWaalsContact O-N 3.16Å; T809-I813 HydrophobicContact CG2-CD1 3.98Å; T809-I813 WeakPolarHBondContact O-CG1 3.4Å; T809-I813 PolarHBondContact O-N 2.79Å
810	A	49	Very low	56.1	Low	24 Å²	24	86.6 Å²	86.6	20%	0.198	46%	0.461	C	S	.	.	H	α-helix	trans	-57.7	-48.9	171.9	0	0	0	0	0	111.4	Q806 R812 I813 F814 L831	Q806-A810 VanDerWaalsContact O-CB 3.23Å; Q806-A810 WeakPolarHBondContact O-CB 3.33Å; Q806-A810 PolarHBondContact O-N 3.12Å; A810-R812 PolarHBondContact O-N 2.88Å; A810-I813 PolarHBondContact O-N 2.84Å; A810-F814 VanDerWaalsContact O-CB 3.25Å; A810-F814 WeakPolarHBondContact O-CB 3.33Å; A810-F814 PolarHBondContact O-N 3.48Å; A810-L831 HydrophobicContact CB-CD1 3.59Å
811	R	56.7	Low	54.7	Low	98 Å²	98	88.5 Å²	88.5	37%	0.37	48%	0.478	S	S	.	.	H	α-helix	trans	-57	-48	172.2	-76.7	174.4	176	-98.6	1	110.9	L303 L304 I807 I813 F814 I815	L303-R811 PolarHBondContact O-NH1 2.92Å; L304-R811 PolarHBondContact O-NH2 2.82Å; I807-R811 WeakPolarHBondContact O-CB 3.23Å; I807-R811 VanDerWaalsContact O-CG 3.27Å; I807-R811 WeakPolarHBondContact O-CG 3.38Å; I807-R811 PolarHBondContact O-N 2.82Å; R811-I813 PolarHBondContact O-N 3.3Å; R811-F814 WeakPolarHBondContact O-CB 3.25Å; R811-F814 PolarHBondContact O-N 2.92Å; R811-I815 HydrophobicContact CB-CD1 4.26Å; R811-I815 WeakPolarHBondContact O-CD1 3.31Å; R811-I815 WeakPolarHBondContact O-CG1 3.37Å; R811-I815 PolarHBondContact O-N 2.81Å
812	R	58.8	Low	53	Low	172 Å²	172	93 Å²	93	65%	0.649	50%	0.504	S	S	*	.	H	α-helix	trans	-60.3	-45.6	-179.4	179.4	-178.2	167.8	-164.1	-5.1	112.5	Y808 T809 A810 F814 I815 A816	Y808-R812 VanDerWaalsContact O-CB 3.26Å; Y808-R812 WeakPolarHBondContact O-CB 3.42Å; Y808-R812 PolarHBondContact O-N 2.94Å; T809-R812 PolarHBondContact O-N 2.9Å; T809-R812 VanDerWaalsContact O-N 3.16Å; A810-R812 PolarHBondContact O-N 2.88Å; R812-F814 VanDerWaalsContact C-N 3.34Å; R812-I815 PolarHBondContact O-N 3.07Å; R812-A816 WeakPolarHBondContact O-CB 3.47Å; R812-A816 PolarHBondContact O-N 3.03Å
813	I	53.5	Low	52.2	Low	107 Å²	107	93.3 Å²	93.3	55%	0.549	51%	0.506	S	S	.	.	H	α-helix	trans	-60.8	-46.7	174.7	-68.4	166.1	0	0	0	109.6	T809 A810 R811 I815 A816 G817	T809-I813 HydrophobicContact CG2-CD1 3.98Å; T809-I813 WeakPolarHBondContact O-CG1 3.4Å; T809-I813 PolarHBondContact O-N 2.79Å; A810-I813 PolarHBondContact O-N 2.84Å; R811-I813 PolarHBondContact O-N 3.3Å; I813-I815 PolarHBondContact O-N 3.07Å; I813-A816 PolarHBondContact O-N 3.13Å; I813-G817 PolarHBondContact O-N 3.07Å
814	F	53	Low	51.4	Low	88 Å²	88	93.9 Å²	93.9	39%	0.386	51%	0.512	S	S	.	.	H	α-helix	trans	-59.9	-44.6	179.7	-171.9	-86.4	0	0	0	113	A810 R811 R812 T853	A810-F814 VanDerWaalsContact O-CB 3.25Å; A810-F814 WeakPolarHBondContact O-CB 3.33Å; A810-F814 PolarHBondContact O-N 3.48Å; R811-F814 WeakPolarHBondContact O-CB 3.25Å; R811-F814 PolarHBondContact O-N 2.92Å; R812-F814 VanDerWaalsContact C-N 3.34Å; F814-T853 HydrophobicContact CE1-CG2 3.52Å; F814-T853 WeakPolarHBondContact CE1-OG1 3.46Å; F814-T853 HydrophobicContact CE2-CG2 4.12Å; F814-T853 HydrophobicContact CZ-CG2 3.19Å; F814-T853 WeakPolarHBondContact CZ-OG1 3.23Å
815	I	60.9	Low	50.3	Low	68 Å²	68	93.6 Å²	93.6	35%	0.349	51%	0.514	S	S	.	.	H	α-helix	trans	-72	-38.9	180	-60.4	150.1	0	0	0	111.7	T301 R811 R812 I813 G817	T301-I815 HydrophobicContact CG2-CD1 3.29Å; T301-I815 HydrophobicContact CG2-CG1 4.12Å; R811-I815 HydrophobicContact CB-CD1 4.26Å; R811-I815 WeakPolarHBondContact O-CD1 3.31Å; R811-I815 WeakPolarHBondContact O-CG1 3.37Å; R811-I815 PolarHBondContact O-N 2.81Å; R812-I815 PolarHBondContact O-N 3.07Å; I813-I815 PolarHBondContact O-N 3.07Å; I815-G817 PolarHBondContact O-N 3.47Å
816	A	45.5	Very low	49.8	Very low	76 Å²	76	93.5 Å²	93.5	63%	0.628	52%	0.518	S	S	*	.	H	α-helix	trans	-69	-18.3	-175	0	0	0	0	0	113.4	R812 I813 G818	R812-A816 WeakPolarHBondContact O-CB 3.47Å; R812-A816 PolarHBondContact O-N 3.03Å; I813-A816 PolarHBondContact O-N 3.13Å; A816-G818 PolarHBondContact O-N 3.2Å; A816-G818 VanDerWaalsContact O-N 3.13Å
817	G	37.7	Very low	49.3	Very low	52 Å²	52	95.2 Å²	95.2	54%	0.536	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	21.9	179.1	0	0	0	0	0	113.9	I813 I815	I813-G817 PolarHBondContact O-N 3.07Å; I815-G817 PolarHBondContact O-N 3.47Å
818	G	41.8	Very low	48.9	Very low	58 Å²	58	94.6 Å²	94.6	60%	0.598	52%	0.521	S	S	*	.			trans	-61.3	135.7	-170.1	0	0	0	0	0	112.9	A816	A816-G818 PolarHBondContact O-N 3.2Å; A816-G818 VanDerWaalsContact O-N 3.13Å
819	T	43	Very low	48.7	Very low	126 Å²	126	92.1 Å²	92.1	77%	0.773	52%	0.516	S	S	*	.			trans	-63.1	139	172	43.6	0	0	0	0	110.7	T821	T819-T821 PolarHBondContact O-N 3.38Å
820	P	40.7	Very low	48.1	Very low	100 Å²	100	94.6 Å²	94.6	65%	0.649	53%	0.526	S	S	*	.			trans	-76.1	113.6	-174	29.6	-34.3	0	0	0	112.1	E822 V824	P820-E822 PolarHBondContact O-N 3.02Å; P820-V824 HydrophobicContact CB-CB 3.96Å; P820-V824 HydrophobicContact CB-CG1 4.13Å; P820-V824 HydrophobicContact CB-CG2 3.66Å
821	T	41.5	Very low	48	Very low	110 Å²	110	96.4 Å²	96.4	68%	0.675	53%	0.532	S	S	*	.			trans	-92.4	88.2	169.7	41.4	0	0	0	0	111.1	T819 S823	T819-T821 PolarHBondContact O-N 3.38Å; T821-S823 PolarHBondContact O-N 3.26Å; T821-S823 PolarHBondContact O-OG 3.48Å
822	E	36.5	Very low	47.6	Very low	202 Å²	202	92.5 Å²	92.5	94%	0.944	52%	0.521	S	S	*	.	S	Bend	trans	50	5	150.8	-60.4	-176.2	159.7	0	0	120.3	P820	P820-E822 PolarHBondContact O-N 3.02Å
823	S	51	Low	47.2	Very low	61 Å²	61	89 Å²	89	43%	0.427	51%	0.512	S	S	.	.	S	Bend	trans	-131.7	20.2	175.1	60.3	0	0	0	0	111.6	T821 K827	T821-S823 PolarHBondContact O-N 3.26Å; T821-S823 PolarHBondContact O-OG 3.48Å; S823-K827 WeakPolarHBondContact O-CD 3.4Å; S823-K827 PolarHBondContact OG-NZ 3.1Å
824	V	44.7	Very low	46.8	Very low	35 Å²	35	85.9 Å²	85.9	21%	0.212	50%	0.495	C	S	.	.	H	α-helix	trans	-92.4	-29.5	-160	-170.2	0	0	0	0	112	P820 N826 K827 I828	P820-V824 HydrophobicContact CB-CB 3.96Å; P820-V824 HydrophobicContact CB-CG1 4.13Å; P820-V824 HydrophobicContact CB-CG2 3.66Å; V824-N826 VanDerWaalsContact C-N 3.35Å; V824-N826 PolarHBondContact O-N 2.94Å; V824-K827 CarbonylContact O-C 3.58Å; V824-K827 WeakPolarHBondContact O-CA 3.41Å; V824-K827 WeakPolarHBondContact O-CB 3.39Å; V824-K827 PolarHBondContact O-N 2.98Å; V824-I828 HydrophobicContact CG1-CD1 3.82Å; V824-I828 HydrophobicContact CG1-CG1 4.09Å; V824-I828 WeakPolarHBondContact O-CB 3.43Å; V824-I828 PolarHBondContact O-N 3.1Å
825	D	44.3	Very low	46.5	Very low	111 Å²	111	84 Å²	84	59%	0.594	49%	0.493	S	S	*	.	H	α-helix	trans	-61.9	-40.1	-178.3	-54.9	-66.9	0	0	0	112.6	K827 I828 N829	D825-K827 VanDerWaalsContact C-N 3.3Å; D825-K827 PolarHBondContact O-N 3.07Å; D825-I828 PolarHBondContact O-N 3.46Å; D825-N829 WeakPolarHBondContact O-CB 3.42Å; D825-N829 VanDerWaalsContact O-CG 3.26Å; D825-N829 PolarHBondContact O-N 3.22Å; D825-N829 PolarHBondContact O-ND2 3.49Å
826	N	54	Low	45.7	Very low	131 Å²	131	88.9 Å²	88.9	70%	0.701	51%	0.507	S	S	*	.	H	α-helix	trans	-63.2	-36.3	172.5	-73.2	-17.1	0	0	0	112.3	V824 L830	V824-N826 VanDerWaalsContact C-N 3.35Å; V824-N826 PolarHBondContact O-N 2.94Å; N826-L830 WeakPolarHBondContact O-CB 3.48Å; N826-L830 PolarHBondContact O-N 2.85Å
827	K	47.3	Very low	45.6	Very low	122 Å²	122	89.4 Å²	89.4	53%	0.53	50%	0.496	S	S	.	.	H	α-helix	trans	-76	-32	177.5	-65.1	162.9	-173.4	158.7	0	111.8	S823 V824 D825 L831	S823-K827 WeakPolarHBondContact O-CD 3.4Å; S823-K827 PolarHBondContact OG-NZ 3.1Å; V824-K827 CarbonylContact O-C 3.58Å; V824-K827 WeakPolarHBondContact O-CA 3.41Å; V824-K827 WeakPolarHBondContact O-CB 3.39Å; V824-K827 PolarHBondContact O-N 2.98Å; D825-K827 VanDerWaalsContact C-N 3.3Å; D825-K827 PolarHBondContact O-N 3.07Å; K827-L831 WeakPolarHBondContact O-CB 3.35Å; K827-L831 PolarHBondContact O-N 3.23Å
828	I	49	Very low	45.7	Very low	53 Å²	53	91.3 Å²	91.3	27%	0.272	49%	0.493	S	S	.	.	H	α-helix	trans	-66.9	-44.9	171.2	-88.8	170	0	0	0	110.5	V824 D825 L831 A832 F860	V824-I828 HydrophobicContact CG1-CD1 3.82Å; V824-I828 HydrophobicContact CG1-CG1 4.09Å; V824-I828 WeakPolarHBondContact O-CB 3.43Å; V824-I828 PolarHBondContact O-N 3.1Å; D825-I828 PolarHBondContact O-N 3.46Å; I828-L831 PolarHBondContact O-N 2.7Å; I828-A832 VanDerWaalsContact O-CB 3.27Å; I828-A832 WeakPolarHBondContact O-CB 3.37Å; I828-A832 PolarHBondContact O-N 3.04Å; I828-F860 HydrophobicContact CB-CZ 4.42Å; I828-F860 HydrophobicContact CD1-CE2 4.5Å; I828-F860 HydrophobicContact CG1-CE2 4.37Å; I828-F860 HydrophobicContact CG1-CZ 4.18Å; I828-F860 HydrophobicContact CG2-CE2 4.42Å; I828-F860 HydrophobicContact CG2-CZ 3.8Å
829	N	50.7	Low	45.6	Very low	74 Å²	74	94.6 Å²	94.6	40%	0.396	50%	0.497	S	S	.	.	H	α-helix	trans	-65.9	-42.3	176.4	-74.7	-32.4	0	0	0	111.2	D825 A832 Q833	D825-N829 WeakPolarHBondContact O-CB 3.42Å; D825-N829 VanDerWaalsContact O-CG 3.26Å; D825-N829 PolarHBondContact O-N 3.22Å; D825-N829 PolarHBondContact O-ND2 3.49Å; N829-A832 PolarHBondContact O-N 3.08Å; N829-Q833 VanDerWaalsContact O-CB 3.23Å; N829-Q833 WeakPolarHBondContact O-CB 3.3Å; N829-Q833 PolarHBondContact O-N 2.99Å
830	L	51	Low	45.7	Very low	118 Å²	118	91.5 Å²	91.5	62%	0.618	48%	0.475	S	S	*	.	H	α-helix	trans	-62.6	-42.6	173.5	-145.5	78.1	0	0	0	111.7	N826 Q833 H834	N826-L830 WeakPolarHBondContact O-CB 3.48Å; N826-L830 PolarHBondContact O-N 2.85Å; L830-Q833 PolarHBondContact O-N 2.89Å; L830-H834 WeakPolarHBondContact O-CB 3.18Å; L830-H834 PolarHBondContact O-N 2.69Å
831	L	45.5	Very low	45.5	Very low	62 Å²	62	93.4 Å²	93.4	33%	0.325	48%	0.48	S	S	.	.	H	α-helix	trans	-65.5	-42.2	175.9	-179.4	64.2	0	0	0	112.2	A810 K827 I828 Q833 H834 C835	A810-L831 HydrophobicContact CB-CD1 3.59Å; K827-L831 WeakPolarHBondContact O-CB 3.35Å; K827-L831 PolarHBondContact O-N 3.23Å; I828-L831 PolarHBondContact O-N 2.7Å; L831-Q833 VanDerWaalsContact C-N 3.32Å; L831-H834 PolarHBondContact O-N 2.83Å; L831-C835 WeakPolarHBondContact O-CB 3.48Å; L831-C835 PolarHBondContact O-N 2.91Å; L831-C835 PolarHBondContact O-SG 2.84Å
832	A	49.3	Very low	45.4	Very low	16 Å²	16	92 Å²	92	13%	0.132	47%	0.468	C	S	.	.	H	α-helix	trans	-64.2	-38.5	175.3	0	0	0	0	0	111.3	I828 N829 C835 R836 F860	I828-A832 VanDerWaalsContact O-CB 3.27Å; I828-A832 WeakPolarHBondContact O-CB 3.37Å; I828-A832 PolarHBondContact O-N 3.04Å; N829-A832 PolarHBondContact O-N 3.08Å; A832-C835 PolarHBondContact O-N 2.91Å; A832-R836 WeakPolarHBondContact O-CG 3.49Å; A832-R836 PolarHBondContact O-N 2.83Å; A832-F860 HydrophobicContact CB-CE1 4.36Å
833	Q	51	Low	45.5	Very low	100 Å²	100	85.2 Å²	85.2	47%	0.467	45%	0.447	S	S	.	.	H	α-helix	trans	-67.2	-43.2	174.7	-176.1	154.9	-23	0	0	112.2	N829 L830 L831 C835 R836	N829-Q833 VanDerWaalsContact O-CB 3.23Å; N829-Q833 WeakPolarHBondContact O-CB 3.3Å; N829-Q833 PolarHBondContact O-N 2.99Å; L830-Q833 PolarHBondContact O-N 2.89Å; L831-Q833 VanDerWaalsContact C-N 3.32Å; Q833-C835 VanDerWaalsContact C-N 3.32Å; Q833-C835 PolarHBondContact O-N 3.19Å; Q833-R836 WeakPolarHBondContact O-CB 3.48Å; Q833-R836 WeakPolarHBondContact O-CG 3.47Å; Q833-R836 PolarHBondContact O-N 2.92Å
834	H	44.2	Very low	45	Very low	40 Å²	40	85.1 Å²	85.1	19%	0.185	44%	0.441	C	S	.	.	H	α-helix	trans	-62.8	-39.3	173.7	-159.6	170.1	0	0	0	111.2	R803 Q806 L830 L831 R836 H837	R803-H834 WeakPolarHBondContact CG-NE2 3.3Å; R803-H834 PolarHBondContact NE-NE2 3.36Å; R803-H834 PolarHBondContact NH1-NE2 3.41Å; Q806-H834 WeakPolarHBondContact CB-CE1 3.38Å; Q806-H834 VanDerWaalsContact CD-CE1 3.41Å; Q806-H834 PolarHBondContact OE1-CE1 2.86Å; Q806-H834 PolarHBondContact OE1-ND1 2.88Å; L830-H834 WeakPolarHBondContact O-CB 3.18Å; L830-H834 PolarHBondContact O-N 2.69Å; L831-H834 PolarHBondContact O-N 2.83Å; H834-R836 PolarHBondContact O-N 2.98Å; H834-H837 AromaticContact CD2-NE2 3.38Å; H834-H837 PolarHBondContact CD2-NE2 3.29Å; H834-H837 AromaticContact NE2-NE2 3.66Å; H834-H837 PolarHBondContact O-CD2 3.13Å; H834-H837 VanDerWaalsContact O-CD2 3.23Å; H834-H837 PolarHBondContact O-CE1 3.17Å; H834-H837 PolarHBondContact O-NE2 3.46Å
835	C	47.7	Very low	45.1	Very low	50 Å²	50	84.2 Å²	84.2	34%	0.338	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-68.8	-11	175.9	-73.9	0	0	0	0	114.9	L831 A832 Q833 H837 L838	L831-C835 WeakPolarHBondContact O-CB 3.48Å; L831-C835 PolarHBondContact O-N 2.91Å; L831-C835 PolarHBondContact O-SG 2.84Å; A832-C835 PolarHBondContact O-N 2.91Å; Q833-C835 VanDerWaalsContact C-N 3.32Å; Q833-C835 PolarHBondContact O-N 3.19Å; C835-H837 PolarHBondContact O-N 3.48Å; C835-H837 VanDerWaalsContact O-N 3.16Å; C835-L838 HydrophobicContact CB-CD1 4.47Å; C835-L838 WeakPolarHBondContact O-CB 3.3Å; C835-L838 PolarHBondContact O-N 3.31Å
836	R	43.1	Very low	45.1	Very low	169 Å²	169	80.4 Å²	80.4	64%	0.638	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-60.7	-26.4	-176.5	-68.1	179.5	-167.3	155.8	12.3	114.2	A832 Q833 H834	A832-R836 WeakPolarHBondContact O-CG 3.49Å; A832-R836 PolarHBondContact O-N 2.83Å; Q833-R836 WeakPolarHBondContact O-CB 3.48Å; Q833-R836 WeakPolarHBondContact O-CG 3.47Å; Q833-R836 PolarHBondContact O-N 2.92Å; H834-R836 PolarHBondContact O-N 2.98Å
837	H	44.1	Very low	44.8	Very low	88 Å²	88	79 Å²	79	41%	0.407	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-87.5	-8.2	175.5	64.7	55.6	0	0	0	113.7	R803 H834 C835 N839	R803-H837 PolarHBondContact NH1-NE2 2.77Å; R803-H837 PolarHBondContact NH2-CE1 3.37Å; R803-H837 PolarHBondContact NH2-NE2 2.93Å; H834-H837 AromaticContact CD2-NE2 3.38Å; H834-H837 PolarHBondContact CD2-NE2 3.29Å; H834-H837 AromaticContact NE2-NE2 3.66Å; H834-H837 PolarHBondContact O-CD2 3.13Å; H834-H837 VanDerWaalsContact O-CD2 3.23Å; H834-H837 PolarHBondContact O-CE1 3.17Å; H834-H837 PolarHBondContact O-NE2 3.46Å; C835-H837 PolarHBondContact O-N 3.48Å; C835-H837 VanDerWaalsContact O-N 3.16Å; H837-N839 PolarHBondContact O-N 2.87Å
838	L	40.2	Very low	45	Very low	91 Å²	91	76.2 Å²	76.2	48%	0.476	40%	0.402	S	S	.	.			trans	-79.9	90.1	174.1	-63.9	177.1	0	0	0	107.9	C835 I840	C835-L838 HydrophobicContact CB-CD1 4.47Å; C835-L838 WeakPolarHBondContact O-CB 3.3Å; C835-L838 PolarHBondContact O-N 3.31Å; L838-I840 HydrophobicContact CB-CD1 3.85Å; L838-I840 HydrophobicContact CB-CG1 4.06Å; L838-I840 HydrophobicContact CD1-CD1 4.48Å; L838-I840 PolarHBondContact O-N 3.38Å
839	N	39.2	Very low	44.7	Very low	128 Å²	128	74.4 Å²	74.4	68%	0.684	39%	0.393	S	S	*	.			trans	-68.9	64.8	179	-171.7	15.3	0	0	0	111.8	H837 N841	H837-N839 PolarHBondContact O-N 2.87Å; N839-N841 PolarHBondContact O-N 3.01Å; N839-N841 PolarHBondContact OD1-ND2 3.44Å
840	I	45	Very low	45	Very low	61 Å²	61	72.9 Å²	72.9	31%	0.313	39%	0.387	S	S	.	.			trans	-81.3	59.4	-178.7	-58.3	163.5	0	0	0	109	Y306 L838 L846	Y306-I840 HydrophobicContact CD2-CG1 4.3Å; Y306-I840 HydrophobicContact CD2-CG2 4.37Å; Y306-I840 HydrophobicContact CE2-CG1 4.28Å; Y306-I840 HydrophobicContact CE2-CG2 3.54Å; L838-I840 HydrophobicContact CB-CD1 3.85Å; L838-I840 HydrophobicContact CB-CG1 4.06Å; L838-I840 HydrophobicContact CD1-CD1 4.48Å; L838-I840 PolarHBondContact O-N 3.38Å; I840-L846 HydrophobicContact CG2-CD1 4.32Å; I840-L846 HydrophobicContact CG2-CG 4.32Å
841	N	35.9	Very low	45.3	Very low	140 Å²	140	72.4 Å²	72.4	75%	0.749	39%	0.392	S	S	*	.			trans	-101.2	-9.1	176.2	-80.6	-48.6	0	0	0	113.1	N839	N839-N841 PolarHBondContact O-N 3.01Å; N839-N841 PolarHBondContact OD1-ND2 3.44Å
842	N	39.2	Very low	45.8	Very low	80 Å²	80	76.5 Å²	76.5	43%	0.428	41%	0.409	S	S	.	.			trans	-80.8	134.9	162.9	-85.7	61.2	0	0	0	109.9	Y306 D844	Y306-N842 HydrophobicContact CE1-CB 4.03Å; Y306-N842 WeakPolarHBondContact CE1-O 3.48Å; Y306-N842 PolarHBondContact OH-O 3.48Å; N842-D844 VanDerWaalsContact C-N 3.25Å; N842-D844 WeakPolarHBondContact CB-OD2 3.01Å; N842-D844 PolarHBondContact ND2-OD2 3.07Å; N842-D844 PolarHBondContact O-N 3.07Å
843	A	39.2	Very low	46	Very low	59 Å²	59	76.3 Å²	76.3	49%	0.488	41%	0.406	S	S	.	.	S	Bend	trans	-70.1	-23.9	178.5	0	0	0	0	0	113.3	S845 L846	A843-S845 VanDerWaalsContact C-N 3.33Å; A843-S845 PolarHBondContact O-N 3.3Å; A843-S845 VanDerWaalsContact O-N 3.13Å; A843-L846 WeakPolarHBondContact O-CB 3.09Å; A843-L846 PolarHBondContact O-N 3.17Å
844	D	40.8	Very low	46.3	Very low	59 Å²	59	74.5 Å²	74.5	32%	0.316	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-18.9	-148.1	-35.5	-46.8	0	0	0	115	N842	N842-D844 VanDerWaalsContact C-N 3.25Å; N842-D844 WeakPolarHBondContact CB-OD2 3.01Å; N842-D844 PolarHBondContact ND2-OD2 3.07Å; N842-D844 PolarHBondContact O-N 3.07Å
845	S	46	Very low	47.1	Very low	16 Å²	16	75.8 Å²	75.8	11%	0.112	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	0.8	175	-39.5	0	0	0	0	114.5	L304 V305 Y306 A843 D847 V848	L304-S845 VanDerWaalsContact CD2-O 3.28Å; L304-S845 WeakPolarHBondContact CD2-O 3.32Å; V305-S845 WeakPolarHBondContact O-CB 3.5Å; Y306-S845 VanDerWaalsContact CE2-CB 3.48Å; Y306-S845 VanDerWaalsContact CZ-CB 3.47Å; Y306-S845 PolarHBondContact OH-N 3.49Å; A843-S845 VanDerWaalsContact C-N 3.33Å; A843-S845 PolarHBondContact O-N 3.3Å; A843-S845 VanDerWaalsContact O-N 3.13Å; S845-D847 PolarHBondContact O-N 3.03Å; S845-V848 PolarHBondContact O-N 3.29Å
846	L	45.7	Very low	47.4	Very low	31 Å²	31	78.7 Å²	78.7	16%	0.162	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-68.4	-18.9	159.3	-76.5	160.7	0	0	0	111.3	Y306 I840 A843 L849 R854 I857	Y306-L846 PolarHBondContact OH-N 3.41Å; I840-L846 HydrophobicContact CG2-CD1 4.32Å; I840-L846 HydrophobicContact CG2-CG 4.32Å; A843-L846 WeakPolarHBondContact O-CB 3.09Å; A843-L846 PolarHBondContact O-N 3.17Å; L846-L849 HydrophobicContact CD2-CD1 3.79Å; L846-L849 WeakPolarHBondContact O-CB 3.27Å; L846-R854 VanDerWaalsContact O-CD 3.23Å; L846-R854 WeakPolarHBondContact O-CD 3.37Å; L846-R854 PolarHBondContact O-NE 3.33Å; L846-I857 HydrophobicContact CD2-CG2 4.19Å
847	D	46.4	Very low	47.9	Very low	102 Å²	102	72.7 Å²	72.7	55%	0.545	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-80.1	-14.3	172.5	-85	-69.8	0	0	0	114.4	S845 L849 R854	S845-D847 PolarHBondContact O-N 3.03Å; D847-L849 PolarHBondContact O-N 3.31Å; D847-R854 VanDerWaalsContact CG-NH1 3.29Å; D847-R854 IonicContact OD1-CZ 2.7Å; D847-R854 IonicContact OD1-NH1 3.19Å; D847-R854 PolarHBondContact OD1-NH1 2.92Å; D847-R854 IonicContact OD1-NH2 3.49Å; D847-R854 PolarHBondContact OD1-NH2 2.73Å; D847-R854 IonicContact OD2-CZ 2.77Å; D847-R854 IonicContact OD2-NH1 2.75Å; D847-R854 IonicContact OD2-NH2 3.05Å; D847-R854 PolarHBondContact OD2-NH2 3.21Å
848	V	51.4	Low	48.5	Very low	63 Å²	63	71.8 Å²	71.8	38%	0.382	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-72.7	-16.6	173	175.2	0	0	0	0	111.6	L303 V305 S845	L303-V848 HydrophobicContact CD2-CG1 4.48Å; L303-V848 WeakPolarHBondContact CD2-O 3.42Å; V305-V848 HydrophobicContact CB-CB 4.42Å; V305-V848 HydrophobicContact CB-CG1 4.11Å; V305-V848 HydrophobicContact CB-CG2 4.15Å; V305-V848 HydrophobicContact CG1-CG2 4.09Å; V305-V848 HydrophobicContact CG2-CG1 3.89Å; V305-V848 HydrophobicContact CG2-CG2 4.41Å; S845-V848 PolarHBondContact O-N 3.29Å
849	L	44.2	Very low	49.4	Very low	16 Å²	16	73.2 Å²	73.2	8%	0.084	39%	0.387	C	S	.	.	S	Bend	trans	-77.8	153.5	-172.6	-67.9	173.8	0	0	0	114.3	L303 L304 L846 D847 T853 R854 I857	L303-L849 HydrophobicContact CB-CD2 4.1Å; L303-L849 HydrophobicContact CD1-CD2 3.92Å; L303-L849 HydrophobicContact CD2-CD2 4.4Å; L303-L849 HydrophobicContact CG-CD2 4.35Å; L304-L849 HydrophobicContact CD1-CD2 3.84Å; L304-L849 HydrophobicContact CD2-CD1 4.33Å; L304-L849 HydrophobicContact CD2-CD2 3.5Å; L304-L849 VanDerWaalsContact CD2-CD2 3.5Å; L304-L849 HydrophobicContact CD2-CG 3.78Å; L304-L849 HydrophobicContact CG-CD2 3.5Å; L304-L849 VanDerWaalsContact CG-CD2 3.5Å; L304-L849 HydrophobicContact CG-CG 4.33Å; L846-L849 HydrophobicContact CD2-CD1 3.79Å; L846-L849 WeakPolarHBondContact O-CB 3.27Å; D847-L849 PolarHBondContact O-N 3.31Å; L849-T853 HydrophobicContact CB-CG2 4.27Å; L849-T853 HydrophobicContact CD1-CG2 3.97Å; L849-T853 HydrophobicContact CD2-CG2 3.45Å; L849-T853 VanDerWaalsContact CD2-CG2 3.45Å; L849-T853 HydrophobicContact CG-CG2 4.1Å; L849-R854 HydrophobicContact CB-CB 4.13Å; L849-R854 HydrophobicContact CD1-CB 4.33Å; L849-R854 HydrophobicContact CD1-CG 4.49Å; L849-I857 HydrophobicContact CD1-CD1 3.73Å
850	S	56	Low	49.6	Very low	41 Å²	41	71.5 Å²	71.5	29%	0.287	37%	0.374	S	S	.	.			trans	-60.6	145.7	161.1	73.5	0	0	0	0	109.6	E852 T853 R854	S850-E852 PolarHBondContact O-N 3.4Å; S850-E852 VanDerWaalsContact O-N 3.15Å; S850-T853 WeakPolarHBondContact O-CB 3.3Å; S850-T853 PolarHBondContact O-N 3.45Å; S850-T853 WeakPolarHBondContact OG-CB 3.42Å; S850-T853 PolarHBondContact OG-N 3.23Å; S850-T853 VanDerWaalsContact OG-N 3.14Å; S850-T853 PolarHBondContact OG-OG1 3.13Å; S850-R854 PolarHBondContact O-N 2.98Å
851	P	58.2	Low	49.6	Very low	109 Å²	109	71.6 Å²	71.6	71%	0.708	37%	0.373	S	S	*	.	H	α-helix	trans	-54.9	-35.8	178.3	-27.9	35.7	0	0	0	112.9	R854 E855	P851-R854 PolarHBondContact O-N 3.42Å; P851-E855 WeakPolarHBondContact O-CB 3.47Å; P851-E855 PolarHBondContact O-N 3.13Å
852	E	55.1	Low	50.1	Low	148 Å²	148	73.1 Å²	73.1	69%	0.692	37%	0.368	S	S	*	.	H	α-helix	trans	-64.5	-41.5	174.8	-63.2	170.1	178.9	0	0	112.5	S850 K856	S850-E852 PolarHBondContact O-N 3.4Å; S850-E852 VanDerWaalsContact O-N 3.15Å; E852-K856 WeakPolarHBondContact O-CB 3.45Å; E852-K856 VanDerWaalsContact O-CG 3.27Å; E852-K856 WeakPolarHBondContact O-CG 3.47Å; E852-K856 PolarHBondContact O-N 2.92Å
853	T	53.3	Low	50.1	Low	12 Å²	12	72.3 Å²	72.3	7%	0.074	38%	0.379	C	S	.	.	H	α-helix	trans	-67.2	-44.6	174.6	-59.9	0	0	0	0	110.9	F814 L849 S850 E855 K856 I857	F814-T853 HydrophobicContact CE1-CG2 3.52Å; F814-T853 WeakPolarHBondContact CE1-OG1 3.46Å; F814-T853 HydrophobicContact CE2-CG2 4.12Å; F814-T853 HydrophobicContact CZ-CG2 3.19Å; F814-T853 WeakPolarHBondContact CZ-OG1 3.23Å; L849-T853 HydrophobicContact CB-CG2 4.27Å; L849-T853 HydrophobicContact CD1-CG2 3.97Å; L849-T853 HydrophobicContact CD2-CG2 3.45Å; L849-T853 VanDerWaalsContact CD2-CG2 3.45Å; L849-T853 HydrophobicContact CG-CG2 4.1Å; S850-T853 WeakPolarHBondContact O-CB 3.3Å; S850-T853 PolarHBondContact O-N 3.45Å; S850-T853 WeakPolarHBondContact OG-CB 3.42Å; S850-T853 PolarHBondContact OG-N 3.23Å; S850-T853 VanDerWaalsContact OG-N 3.14Å; S850-T853 PolarHBondContact OG-OG1 3.13Å; T853-E855 VanDerWaalsContact C-N 3.3Å; T853-E855 PolarHBondContact O-N 2.97Å; T853-K856 PolarHBondContact O-N 3.33Å; T853-I857 HydrophobicContact CG2-CD1 3.76Å; T853-I857 HydrophobicContact CG2-CG1 4.42Å; T853-I857 WeakPolarHBondContact O-CB 3.31Å; T853-I857 WeakPolarHBondContact O-CG1 3.33Å; T853-I857 PolarHBondContact O-N 2.88Å
854	R	57.8	Low	50	Low	61 Å²	61	71.7 Å²	71.7	23%	0.23	37%	0.366	C	S	.	.	H	α-helix	trans	-62.8	-38.7	179.9	-161.5	-178	-171.5	171.4	12.7	111.4	L846 D847 L849 S850 P851 K858	L846-R854 VanDerWaalsContact O-CD 3.23Å; L846-R854 WeakPolarHBondContact O-CD 3.37Å; L846-R854 PolarHBondContact O-NE 3.33Å; D847-R854 VanDerWaalsContact CG-NH1 3.29Å; D847-R854 IonicContact OD1-CZ 2.7Å; D847-R854 IonicContact OD1-NH1 3.19Å; D847-R854 PolarHBondContact OD1-NH1 2.92Å; D847-R854 IonicContact OD1-NH2 3.49Å; D847-R854 PolarHBondContact OD1-NH2 2.73Å; D847-R854 IonicContact OD2-CZ 2.77Å; D847-R854 IonicContact OD2-NH1 2.75Å; D847-R854 IonicContact OD2-NH2 3.05Å; D847-R854 PolarHBondContact OD2-NH2 3.21Å; L849-R854 HydrophobicContact CB-CB 4.13Å; L849-R854 HydrophobicContact CD1-CB 4.33Å; L849-R854 HydrophobicContact CD1-CG 4.49Å; S850-R854 PolarHBondContact O-N 2.98Å; P851-R854 PolarHBondContact O-N 3.42Å; R854-K858 WeakPolarHBondContact O-CB 3.22Å; R854-K858 VanDerWaalsContact O-CG 3.26Å; R854-K858 WeakPolarHBondContact O-CG 3.4Å; R854-K858 PolarHBondContact O-N 2.88Å
855	E	59.7	Low	49.6	Very low	68 Å²	68	74.3 Å²	74.3	32%	0.318	39%	0.386	S	S	.	.	H	α-helix	trans	-77.5	-34.7	176.7	-154.9	60.3	-152	0	0	112.6	P851 T853 I857 K858 Q859 R862	P851-E855 WeakPolarHBondContact O-CB 3.47Å; P851-E855 PolarHBondContact O-N 3.13Å; T853-E855 VanDerWaalsContact C-N 3.3Å; T853-E855 PolarHBondContact O-N 2.97Å; E855-I857 PolarHBondContact O-N 3.5Å; E855-K858 CarbonylContact O-C 3.59Å; E855-K858 PolarHBondContact O-N 3.43Å; E855-K858 WeakPolarHBondContact OE2-CD 3.38Å; E855-K858 IonicContact OE2-NZ 3.89Å; E855-Q859 WeakPolarHBondContact O-CB 3.45Å; E855-Q859 VanDerWaalsContact O-CG 3.27Å; E855-Q859 WeakPolarHBondContact O-CG 3.39Å; E855-Q859 PolarHBondContact O-N 3.29Å; E855-R862 IonicContact OE1-CZ 3.94Å; E855-R862 IonicContact OE1-NH1 3.87Å; E855-R862 PolarHBondContact OE1-NH1 3.44Å; E855-R862 IonicContact OE1-NH2 2.59Å
856	K	54.5	Low	48.9	Very low	110 Å²	110	79.9 Å²	79.9	48%	0.478	41%	0.414	S	S	.	.	H	α-helix	trans	-59.7	-43.6	169	-79.7	177.2	177.6	-176.6	0	112	E852 T853 Q859 F860	E852-K856 WeakPolarHBondContact O-CB 3.45Å; E852-K856 VanDerWaalsContact O-CG 3.27Å; E852-K856 WeakPolarHBondContact O-CG 3.47Å; E852-K856 PolarHBondContact O-N 2.92Å; T853-K856 PolarHBondContact O-N 3.33Å; K856-Q859 PolarHBondContact O-N 3.34Å; K856-F860 WeakPolarHBondContact O-CB 3.48Å; K856-F860 PolarHBondContact O-N 3.44Å
857	I	54.5	Low	48.4	Very low	44 Å²	44	85.7 Å²	85.7	23%	0.226	43%	0.434	C	S	.	.	H	α-helix	trans	-64.7	-43.8	175.4	-71.3	169.2	0	0	0	110.7	L846 L849 T853 E855 Q859 F860 Q861	L846-I857 HydrophobicContact CD2-CG2 4.19Å; L849-I857 HydrophobicContact CD1-CD1 3.73Å; T853-I857 HydrophobicContact CG2-CD1 3.76Å; T853-I857 HydrophobicContact CG2-CG1 4.42Å; T853-I857 WeakPolarHBondContact O-CB 3.31Å; T853-I857 WeakPolarHBondContact O-CG1 3.33Å; T853-I857 PolarHBondContact O-N 2.88Å; E855-I857 PolarHBondContact O-N 3.5Å; I857-Q859 VanDerWaalsContact C-N 3.33Å; I857-Q859 PolarHBondContact O-N 3.21Å; I857-F860 WeakPolarHBondContact O-CB 3.45Å; I857-F860 PolarHBondContact O-N 3.35Å; I857-Q861 HydrophobicContact CG2-CG 4.44Å; I857-Q861 WeakPolarHBondContact O-CB 3.46Å; I857-Q861 VanDerWaalsContact O-CG 3.32Å; I857-Q861 WeakPolarHBondContact O-CG 3.48Å; I857-Q861 PolarHBondContact O-N 2.99Å
858	K	57.2	Low	47.7	Very low	68 Å²	68	86.9 Å²	86.9	30%	0.296	45%	0.445	S	S	.	.	H	α-helix	trans	-62.7	-36	173.5	-74.5	166.2	176.3	-179.8	0	113.1	R854 E855 Q861 R862	R854-K858 WeakPolarHBondContact O-CB 3.22Å; R854-K858 VanDerWaalsContact O-CG 3.26Å; R854-K858 WeakPolarHBondContact O-CG 3.4Å; R854-K858 PolarHBondContact O-N 2.88Å; E855-K858 CarbonylContact O-C 3.59Å; E855-K858 PolarHBondContact O-N 3.43Å; E855-K858 WeakPolarHBondContact OE2-CD 3.38Å; E855-K858 IonicContact OE2-NZ 3.89Å; K858-Q861 PolarHBondContact O-N 3.33Å; K858-R862 VanDerWaalsContact O-CB 3.28Å; K858-R862 WeakPolarHBondContact O-CB 3.4Å; K858-R862 WeakPolarHBondContact O-CD 3.44Å; K858-R862 WeakPolarHBondContact O-CG 3.46Å; K858-R862 PolarHBondContact O-N 3.13Å
859	Q	58.1	Low	46.5	Very low	121 Å²	121	89.3 Å²	89.3	57%	0.565	47%	0.465	S	S	*	.	H	α-helix	trans	-66.1	-43	173.8	-76	170.2	-11.6	0	0	110.7	E855 K856 I857 Q861 R862 G863	E855-Q859 WeakPolarHBondContact O-CB 3.45Å; E855-Q859 VanDerWaalsContact O-CG 3.27Å; E855-Q859 WeakPolarHBondContact O-CG 3.39Å; E855-Q859 PolarHBondContact O-N 3.29Å; K856-Q859 PolarHBondContact O-N 3.34Å; I857-Q859 VanDerWaalsContact C-N 3.33Å; I857-Q859 PolarHBondContact O-N 3.21Å; Q859-Q861 VanDerWaalsContact C-N 3.33Å; Q859-Q861 PolarHBondContact O-N 2.89Å; Q859-R862 PolarHBondContact O-N 2.93Å; Q859-G863 PolarHBondContact O-N 3.16Å
860	F	43.1	Very low	45.7	Very low	92 Å²	92	92 Å²	92	40%	0.404	50%	0.496	S	S	.	.	H	α-helix	trans	-60.2	-41.2	173.8	-139.7	-97.8	0	0	0	112.2	I828 A832 K856 I857	I828-F860 HydrophobicContact CB-CZ 4.42Å; I828-F860 HydrophobicContact CD1-CE2 4.5Å; I828-F860 HydrophobicContact CG1-CE2 4.37Å; I828-F860 HydrophobicContact CG1-CZ 4.18Å; I828-F860 HydrophobicContact CG2-CE2 4.42Å; I828-F860 HydrophobicContact CG2-CZ 3.8Å; A832-F860 HydrophobicContact CB-CE1 4.36Å; K856-F860 WeakPolarHBondContact O-CB 3.48Å; K856-F860 PolarHBondContact O-N 3.44Å; I857-F860 WeakPolarHBondContact O-CB 3.45Å; I857-F860 PolarHBondContact O-N 3.35Å
861	Q	44.5	Very low	44.2	Very low	64 Å²	64	101.9 Å²	101.9	30%	0.299	53%	0.527	S	S	.	.	H	α-helix	trans	-73.1	-34.1	177.8	-72.1	172.1	-37.1	0	0	113.4	I857 K858 Q859 W867	I857-Q861 HydrophobicContact CG2-CG 4.44Å; I857-Q861 WeakPolarHBondContact O-CB 3.46Å; I857-Q861 VanDerWaalsContact O-CG 3.32Å; I857-Q861 WeakPolarHBondContact O-CG 3.48Å; I857-Q861 PolarHBondContact O-N 2.99Å; K858-Q861 PolarHBondContact O-N 3.33Å; Q859-Q861 VanDerWaalsContact C-N 3.33Å; Q859-Q861 PolarHBondContact O-N 2.89Å; Q861-W867 HydrophobicContact CG-CE3 4.24Å; Q861-W867 HydrophobicContact CG-CZ3 4.09Å
862	R	47.8	Very low	42.8	Very low	171 Å²	171	100.8 Å²	100.8	65%	0.645	53%	0.527	S	S	*	.	H	α-helix	trans	-82.3	-23	177.4	-70.5	170.2	-171.9	146	-3.7	113.6	E855 K858 Q859	E855-R862 IonicContact OE1-CZ 3.94Å; E855-R862 IonicContact OE1-NH1 3.87Å; E855-R862 PolarHBondContact OE1-NH1 3.44Å; E855-R862 IonicContact OE1-NH2 2.59Å; K858-R862 VanDerWaalsContact O-CB 3.28Å; K858-R862 WeakPolarHBondContact O-CB 3.4Å; K858-R862 WeakPolarHBondContact O-CD 3.44Å; K858-R862 WeakPolarHBondContact O-CG 3.46Å; K858-R862 PolarHBondContact O-N 3.13Å; Q859-R862 PolarHBondContact O-N 2.93Å
863	G	39	Very low	41.5	Very low	63 Å²	63	99.6 Å²	99.6	65%	0.649	53%	0.532	S	S	*	.	S	Bend	trans	-92.7	-3.6	-174.6	0	0	0	0	0	115.3	Q859	Q859-G863 PolarHBondContact O-N 3.16Å
864	H	37.1	Very low	40.2	Very low	46 Å²	46	107.1 Å²	107.1	21%	0.213	57%	0.571	C	S	.	*			trans	-104	116.2	-173.3	-150.9	-46.4	0	0	0	112	L866 W867	H864-L866 PolarHBondContact O-N 2.89Å; H864-W867 PolarHBondContact O-N 2.82Å
865	P	32.5	Very low	38.8	Very low	114 Å²	114	111.7 Å²	111.7	74%	0.74	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	13.3	-175.6	-24.6	35.5	0	0	0	117.3
866	L	31.9	Very low	37.2	Very low	134 Å²	134	117.5 Å²	117.5	70%	0.702	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.7	2.9	-176	-69.6	173.6	0	0	0	113.4	H864	H864-L866 PolarHBondContact O-N 2.89Å
867	W	34.7	Very low	36.1	Very low	153 Å²	153	118.2 Å²	118.2	58%	0.58	64%	0.64	S	S	*	*	S	Bend	trans	-98.2	0.8	176.1	-78	56.8	0	0	0	113.1	Q861 H864	Q861-W867 HydrophobicContact CG-CE3 4.24Å; Q861-W867 HydrophobicContact CG-CZ3 4.09Å; H864-W867 PolarHBondContact O-N 2.82Å
868	T	30.2	Very low	35.1	Very low	127 Å²	127	125.1 Å²	125.1	78%	0.779	67%	0.672	S	S	*	*	S	Bend	trans	-116.1	37.9	-179.6	55.2	0	0	0	0	112.9
869	S	27.8	Very low	33.7	Very low	114 Å²	114	125.1 Å²	125.1	80%	0.797	69%	0.691	S	S	*	*			trans	-151.4	135	164.8	-168.4	0	0	0	0	109.5
870	G	27.2	Very low	32.5	Very low	71 Å²	71	125.5 Å²	125.5	73%	0.732	70%	0.704	S	S	*	*	S	Bend	trans	162.9	-5.7	-174.2	0	0	0	0	0	117.8
871	R	24.9	Very low	31.8	Very low	250 Å²	250	127 Å²	127	94%	0.943	73%	0.726	S	S	*	*			trans	-154.7	49.4	167.3	-125.4	179.6	-161.8	-143	2.8	114.9
872	A	27	Very low	31.2	Very low	85 Å²	85	128 Å²	128	70%	0.702	75%	0.745	S	S	*	*	S	Bend	trans	-84.6	139	152.5	0	0	0	0	0	108.3
873	P	28.9	Very low	30.3	Very low	123 Å²	123	127.6 Å²	127.6	80%	0.799	75%	0.753	S	S	*	*			trans	-63.1	139.5	174.9	-21.8	33.6	0	0	0	111.8	N875	P873-N875 PolarHBondContact O-N 3.22Å
874	L	25.1	Very low	30	Very low	170 Å²	170	130.4 Å²	130.4	89%	0.89	76%	0.757	S	S	*	*			trans	-72.1	110.6	168	-70.5	171	0	0	0	108.8
875	N	29.4	Very low	29.7	Very low	158 Å²	158	133.7 Å²	133.7	85%	0.845	78%	0.781	S	S	*	*			trans	-113.9	132.9	164.3	-119.2	-17.8	0	0	0	108.8	P873	P873-N875 PolarHBondContact O-N 3.22Å
876	F	26.7	Very low	29.6	Very low	189 Å²	189	132.7 Å²	132.7	83%	0.829	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-72.8	144.8	-175.5	-80.6	-102	0	0	0	111.3	Q878	F876-Q878 PolarHBondContact O-N 2.91Å
877	P	30.9	Very low	29.8	Very low	125 Å²	125	133.9 Å²	133.9	81%	0.812	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-70.8	124.8	176.1	29.4	-33.6	0	0	0	110.7
878	Q	32.1	Very low	29.8	Very low	190 Å²	190	134 Å²	134	89%	0.888	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-91.9	160.8	159.7	-66.9	-168.4	1.7	0	0	110.1	F876	F876-Q878 PolarHBondContact O-N 2.91Å
879	G	29.5	Very low	30	Very low	68 Å²	68	133 Å²	133	70%	0.701	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-69.2	165.3	-166.5	0	0	0	0	0	115.6
880	P	31.1	Very low	30.3	Very low	129 Å²	129	134.7 Å²	134.7	84%	0.838	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-79.9	160.2	-174.2	34	-36.9	0	0	0	113.3
881	S	30.4	Very low	30.8	Very low	124 Å²	124	135.7 Å²	135.7	87%	0.867	78%	0.78	S	S	*	*			trans	-147.4	161.8	157.6	-80.2	0	0	0	0	110.1
882	A	30.2	Very low	31.2	Very low	85 Å²	85	129.9 Å²	129.9	70%	0.702	77%	0.768	S	S	*	*			trans	-62.2	170.4	-172.4	0	0	0	0	0	113.2
883	M	30.4	Very low	31.2	Very low	162 Å²	162	133.4 Å²	133.4	80%	0.798	77%	0.774	S	S	*	*			cis	-171	150	26.4	-152.3	167.7	-118.2	0	0	110.5
884	T	31	Very low	31.4	Very low	121 Å²	121	133.2 Å²	133.2	74%	0.742	77%	0.766	S	S	*	*			trans	57.9	145.1	150.9	32.2	0	0	0	0	120.6
885	T	31.3	Very low	31.7	Very low	115 Å²	115	132.4 Å²	132.4	71%	0.706	76%	0.758	S	S	*	*			cis	-159.2	159.9	-7.2	-21.1	0	0	0	0	109.3
886	S	31.4	Very low	31.9	Very low	94 Å²	94	132 Å²	132	66%	0.657	75%	0.754	S	S	*	*			trans	67	145.6	152.5	-63.7	0	0	0	0	119.1
887	Q	35.6	Very low	31.8	Very low	159 Å²	159	135 Å²	135	74%	0.743	76%	0.76	S	S	*	*			cis	-163.7	152.8	-4.7	-115.5	174.5	-19.7	0	0	110.1
888	Q	34.6	Very low	31.9	Very low	155 Å²	155	132 Å²	132	72%	0.724	75%	0.753	S	S	*	*			trans	55.5	143.3	154.7	-104.7	75.2	-4.6	0	0	119.9
889	V	35.2	Very low	31.9	Very low	105 Å²	105	135.3 Å²	135.3	64%	0.636	76%	0.757	S	S	*	*			cis	-149.7	142.5	-11	-122.1	0	0	0	0	108.1
890	D	34.2	Very low	32.1	Very low	151 Å²	151	135.4 Å²	135.4	81%	0.807	76%	0.758	S	S	*	*				24.4	145.4	121.1	-36.8	-25.6	0	0	0	118.6
891	A	36.8	Very low	32.1	Very low	91 Å²	91	137 Å²	137	75%	0.752	76%	0.759	S	S	*	*			cis	-157.7	179.4	11.2	0	0	0	0	0	109.2
892	D	33	Very low	32	Very low	128 Å²	128	135.8 Å²	135.8	68%	0.684	75%	0.751	S	S	*	*			cis	-157.7	161.4	-1.2	-152.7	-17.9	0	0	0	110.6	L894	D892-L894 VanDerWaalsContact OD2-CD1 3.32Å; D892-L894 WeakPolarHBondContact OD2-CD1 3.35Å
893	L	26.5	Very low	32	Very low	160 Å²	160	139.2 Å²	139.2	84%	0.838	76%	0.757	S	S	*	*			trans	-163.6	108	144.9	-169.2	135.8	0	0	0	109.2
894	L	33	Very low	32	Very low	118 Å²	118	136.1 Å²	136.1	62%	0.618	75%	0.751	S	S	*	*			trans	-69.1	136.5	-179.9	-86.3	89.6	0	0	0	113.1	D892	D892-L894 VanDerWaalsContact OD2-CD1 3.32Å; D892-L894 WeakPolarHBondContact OD2-CD1 3.35Å
895	E	31.5	Very low	32	Very low	154 Å²	154	141.6 Å²	141.6	72%	0.72	76%	0.758	S	S	*	*			trans	65.3	145.8	140.6	-68.2	-167.8	166.4	0	0	120.1
896	L	33.6	Very low	32.2	Very low	149 Å²	149	141.7 Å²	141.7	78%	0.78	76%	0.764	S	S	*	*			cis	-142.1	135.9	5.1	-123.3	153.3	0	0	0	109.8
897	R	25.4	Very low	32.1	Very low	251 Å²	251	148.6 Å²	148.6	95%	0.947	78%	0.775	S	S	*	*			trans	-118.3	110.8	177.3	-169.1	-173.1	-166.5	-150.8	6.5	109.8
898	G	32.5	Very low	32.2	Very low	64 Å²	64	146 Å²	146	66%	0.66	77%	0.772	S	S	*	*			trans	-138.2	81	-165.8	0	0	0	0	0	116.8
899	R	33.6	Very low	32	Very low	258 Å²	258	147 Å²	147	97%	0.974	78%	0.781	S	S	*	*			trans	64	169.3	163.2	-55.5	172.6	178.9	170.8	-1	114.1
900	G	33.3	Very low	31.8	Very low	71 Å²	71	145.9 Å²	145.9	73%	0.732	79%	0.791	S	S	*	*			cis	-165.1	160.3	-5.4	0	0	0	0	0	111.5
901	N	30.7	Very low	31.5	Very low	161 Å²	161	147.4 Å²	147.4	86%	0.861	80%	0.795	S	S	*	*			trans	-64	142.4	-169.1	-76.6	-11.9	0	0	0	116.6
902	S	29.3	Very low	31.2	Very low	99 Å²	99	148.2 Å²	148.2	69%	0.692	80%	0.796	S	S	*	*				79.7	145.9	128.3	74.3	0	0	0	0	124
903	L	29.4	Very low	31.2	Very low	158 Å²	158	147.1 Å²	147.1	83%	0.827	80%	0.798	S	S	*	*			trans	83.2	111.2	146.3	-75.1	159.6	0	0	0	121.4
904	S	31	Very low	31.4	Very low	96 Å²	96	144.6 Å²	144.6	67%	0.671	79%	0.794	S	S	*	*				105.3	128.1	124.4	81.4	0	0	0	0	120.7
905	R	30.3	Very low	31.1	Very low	237 Å²	237	144.2 Å²	144.2	89%	0.894	80%	0.8	S	S	*	*			trans	64	150.4	154.4	-61.5	173.2	172.9	-178.4	-3.2	115.9
906	S	34.6	Very low	31	Very low	117 Å²	117	144 Å²	144	82%	0.818	80%	0.803	S	S	*	*			cis	-140.4	166.8	18.1	-65.5	0	0	0	0	114.5
907	R	31.1	Very low	30.7	Very low	239 Å²	239	141.2 Å²	141.2	90%	0.902	80%	0.796	S	S	*	*			trans	-89.4	-174.2	167.2	-111.7	179.2	175.6	-171.7	-1.4	110.1
908	P	37.6	Very low	31	Very low	103 Å²	103	136.1 Å²	136.1	67%	0.669	79%	0.787	S	S	*	*			cis	-139.5	-176.8	-22	37.3	-17.2	0	0	0	115.5
909	L	28.7	Very low	30.8	Very low	177 Å²	177	139.5 Å²	139.5	93%	0.927	79%	0.791	S	S	*	*			trans	0	141.1	142.1	-51.7	165.5	0	0	0	120.2
910	G	31.9	Very low	30.8	Very low	81 Å²	81	136.3 Å²	136.3	84%	0.835	79%	0.786	S	S	*	*			trans	-177.4	119	161.5	0	0	0	0	0	115.4
911	M	28.9	Very low	30.9	Very low	183 Å²	183	136.2 Å²	136.2	90%	0.901	78%	0.779	S	S	*	*			trans	-73.7	156.6	-175.8	-61.8	143.4	58.8	0	0	115.2
912	S	30	Very low	31.1	Very low	108 Å²	108	136.3 Å²	136.3	76%	0.755	77%	0.774	S	S	*	*				130.1	148.7	124.4	71.5	0	0	0	0	120
913	S	31.8	Very low	31.2	Very low	105 Å²	105	140 Å²	140	73%	0.734	78%	0.778	S	S	*	*			trans	63.3	126.9	154.1	56	0	0	0	0	123.9
914	S	31.5	Very low	31.6	Very low	107 Å²	107	137.3 Å²	137.3	75%	0.748	78%	0.778	S	S	*	*			trans	75.6	113.2	136.2	-58.1	0	0	0	0	122.5
915	C	25.9	Very low	31.7	Very low	111 Å²	111	136.6 Å²	136.6	75%	0.75	79%	0.786	S	S	*	*				36.3	141.3	119.2	-57.2	0	0	0	0	122.4
916	D	30.5	Very low	31.8	Very low	148 Å²	148	129.3 Å²	129.3	79%	0.791	79%	0.785	S	S	*	*			trans	69.7	149.9	154	-66.5	-50.1	0	0	0	118.2
917	S	27.9	Very low	31.7	Very low	91 Å²	91	127.5 Å²	127.5	64%	0.636	79%	0.785	S	S	*	*			cis	-168.2	161.9	-24.6	-110.2	0	0	0	0	109.4
918	L	30	Very low	31.9	Very low	144 Å²	144	119.5 Å²	119.5	75%	0.754	78%	0.777	S	S	*	*			trans	69.5	133.2	158.6	-65.2	165.6	0	0	0	122.2
919	D	29.9	Very low	31.8	Very low	136 Å²	136	123.5 Å²	123.5	73%	0.727	79%	0.786	S	S	*	*			trans	74.7	148.5	132.2	-60.5	-15	0	0	0	126.2
920	E	32.3	Very low	32.2	Very low	190 Å²	190	120.1 Å²	120.1	89%	0.888	78%	0.775	S	S	*	*			trans	64.7	146.9	164.8	-75	-167.6	173.8	0	0	119.7
921	A	35.3	Very low	32.2	Very low	69 Å²	69	120.7 Å²	120.7	57%	0.57	77%	0.766	S	S	*	*			cis	-159.9	142.7	-5.1	0	0	0	0	0	112.7
922	H	34.3	Very low	32.5	Very low	164 Å²	164	118 Å²	118	76%	0.759	76%	0.762	S	S	*	*			trans	59.1	163	149.6	-71.1	-115.5	0	0	0	119
923	F	33.1	Very low	32.4	Very low	177 Å²	177	118.4 Å²	118.4	78%	0.776	76%	0.76	S	S	*	*			cis	-151.3	148	8.6	-136	-63.7	0	0	0	111.1
924	A	36.6	Very low	32.1	Very low	100 Å²	100	118.1 Å²	118.1	83%	0.826	76%	0.758	S	S	*	*			trans	55.1	128.3	158.9	0	0	0	0	0	122.2
925	G	32.7	Very low	32	Very low	82 Å²	82	122.3 Å²	122.3	85%	0.845	76%	0.763	S	S	*	*			trans	144.7	71.7	162.8	0	0	0	0	0	115.1
926	G	32.9	Very low	32	Very low	84 Å²	84	121.1 Å²	121.1	87%	0.866	76%	0.756	S	S	*	*			trans	-81	171.5	-175.2	0	0	0	0	0	115.7
927	G	33.8	Very low	31.8	Very low	79 Å²	79	123.6 Å²	123.6	81%	0.814	76%	0.755	S	S	*	*			cis	168	161.3	-4.1	0	0	0	0	0	113.6
928	G	33.9	Very low	31.8	Very low	71 Å²	71	125.4 Å²	125.4	73%	0.732	76%	0.758	S	S	*	*			trans	77.4	120.4	174.9	0	0	0	0	0	115.2
929	H	35.1	Very low	31.6	Very low	186 Å²	186	128 Å²	128	86%	0.861	76%	0.763	S	S	*	*			cis	60.8	152.6	8.6	-100.6	-28	0	0	0	116.2
930	P	37.5	Very low	31.6	Very low	107 Å²	107	126.2 Å²	126.2	70%	0.695	77%	0.767	S	S	*	*			cis	-135.1	-172.3	-10.2	33.6	-11.3	0	0	0	114.3
931	S	32.4	Very low	31.5	Very low	93 Å²	93	120.1 Å²	120.1	65%	0.65	76%	0.756	S	S	*	*			trans	-72.7	-170.1	150.3	51	0	0	0	0	110.4
932	P	35.3	Very low	31.2	Very low	126 Å²	126	122.7 Å²	122.7	82%	0.818	77%	0.765	S	S	*	*				-153.9	-154	92.6	41.3	-21.4	0	0	0	114.7
933	T	27.8	Very low	30.9	Very low	116 Å²	116	123.4 Å²	123.4	71%	0.712	77%	0.768	S	S	*	*			trans	-134.8	148.2	-160.3	56.4	0	0	0	0	114.1
934	S	26.8	Very low	30.7	Very low	100 Å²	100	123.3 Å²	123.3	70%	0.699	78%	0.775	S	S	*	*			trans	59.8	174.5	138.8	72.9	0	0	0	0	120.4
935	K	28	Very low	30.3	Very low	194 Å²	194	123.2 Å²	123.2	84%	0.843	77%	0.768	S	S	*	*			trans	73.1	149.1	-176.7	-54.8	178.4	-176.6	178.9	0	114.8
936	S	25.5	Very low	30.2	Very low	86 Å²	86	128.4 Å²	128.4	60%	0.601	77%	0.771	S	S	*	*			cis	-174	161.1	-20.5	49.8	0	0	0	0	110.4
937	Y	26.7	Very low	30	Very low	200 Å²	200	128.8 Å²	128.8	78%	0.784	77%	0.766	S	S	*	*			trans	71.2	132.5	159.5	-69.3	-68.1	0	0	0	120.4
938	D	27.7	Very low	30	Very low	130 Å²	130	132.3 Å²	132.3	70%	0.695	77%	0.771	S	S	*	*				72.1	106.4	130	-61.1	-9.3	0	0	0	124.4
939	F	26.1	Very low	29.9	Very low	198 Å²	198	133.2 Å²	133.2	87%	0.868	77%	0.771	S	S	*	*				78	121.9	107.6	-141.6	-86.2	0	0	0	120.3
940	A	29.7	Very low	29.9	Very low	98 Å²	98	131 Å²	131	81%	0.81	77%	0.771	S	S	*	*			trans	62.6	152.2	172.5	0	0	0	0	0	116.8
941	G	30.6	Very low	29.6	Very low	63 Å²	63	135.4 Å²	135.4	65%	0.649	78%	0.779	S	S	*	*			cis	178.7	167.2	-9.5	0	0	0	0	0	113.2
942	T	29.7	Very low	29.6	Very low	123 Å²	123	139.8 Å²	139.8	76%	0.755	79%	0.79	S	S	*	*			trans	52	103.6	149.3	-45.8	0	0	0	0	119.9
943	Q	27	Very low	29.6	Very low	178 Å²	178	138.9 Å²	138.9	83%	0.832	79%	0.792	S	S	*	*			trans	44.1	130.4	139.3	-54.2	-178.7	81	0	0	121.1
944	L	30.1	Very low	29.8	Very low	176 Å²	176	136.8 Å²	136.8	92%	0.921	79%	0.794	S	S	*	*				-160.7	169.5	115.6	-108.3	167	0	0	0	111.3
945	S	26.5	Very low	30.1	Very low	97 Å²	97	139 Å²	139	68%	0.678	80%	0.798	S	S	*	*			trans	-144.1	137.4	-164.7	57.9	0	0	0	0	113.1
946	E	31.8	Very low	30.2	Very low	192 Å²	192	136.5 Å²	136.5	90%	0.897	79%	0.794	S	S	*	*			trans	-162.7	132.1	157.1	-106.2	152.1	-154.7	0	0	107.6
947	A	28.3	Very low	30.6	Very low	92 Å²	92	139.3 Å²	139.3	76%	0.76	81%	0.807	S	S	*	*			cis	95.7	85.3	18.1	0	0	0	0	0	115.9
948	V	34.6	Very low	30.7	Very low	153 Å²	153	138.6 Å²	138.6	93%	0.927	81%	0.811	S	S	*	*			trans	-138.5	141.6	154.7	-177.9	0	0	0	0	108.1
949	A	31.3	Very low	31.1	Very low	89 Å²	89	139.6 Å²	139.6	74%	0.736	82%	0.816	S	S	*	*			trans	-152.1	144.5	-174.6	0	0	0	0	0	114
950	T	34	Very low	31.3	Very low	140 Å²	140	137.3 Å²	137.3	86%	0.859	81%	0.813	S	S	*	*			trans	-173.2	124.2	160.3	29.4	0	0	0	0	105.6
951	K	31.5	Very low	31.5	Very low	199 Å²	199	136 Å²	136	87%	0.865	81%	0.809	S	S	*	*			cis	89	144.9	19.6	-146.8	-174.6	-177.6	-168	0	114.4
952	E	33.1	Very low	31.4	Very low	186 Å²	186	142.6 Å²	142.6	87%	0.869	82%	0.82	S	S	*	*			trans	82.8	121.5	-169.4	-59.5	174.5	-160.6	0	0	113.4
953	A	34.1	Very low	31.6	Very low	106 Å²	106	144.9 Å²	144.9	88%	0.876	82%	0.822	S	S	*	*			cis	89.9	122.7	12.5	0	0	0	0	0	116.9
954	G	32.8	Very low	31.8	Very low	72 Å²	72	144.7 Å²	144.7	74%	0.742	82%	0.821	S	S	*	*			trans	155.3	93.8	172.7	0	0	0	0	0	116.3
955	N	33.1	Very low	31.8	Very low	148 Å²	148	142.1 Å²	142.1	79%	0.791	80%	0.804	S	S	*	*			trans	32.8	128.1	144.9	-52.2	7.4	0	0	0	123
956	D	29.8	Very low	32.1	Very low	141 Å²	141	146.5 Å²	146.5	75%	0.754	81%	0.814	S	S	*	*				33.5	131.6	119.2	-40	-45.7	0	0	0	121.9
957	V	34.2	Very low	32.1	Very low	144 Å²	144	144.7 Å²	144.7	87%	0.873	81%	0.805	S	S	*	*				177.3	147.7	114.8	148.5	0	0	0	0	110.7
958	E	28.8	Very low	32.2	Very low	186 Å²	186	144.6 Å²	144.6	87%	0.869	80%	0.799	S	S	*	*			trans	-81.5	142	172	-56.3	171.1	104	0	0	111.9
959	D	35.3	Very low	32	Very low	150 Å²	150	144.4 Å²	144.4	80%	0.802	79%	0.792	S	S	*	*				-162.8	173.3	125.5	-150.9	-4	0	0	0	112.4
960	N	31.8	Very low	32.1	Very low	150 Å²	150	147.3 Å²	147.3	80%	0.802	79%	0.794	S	S	*	*			trans	-80.5	170.1	179.4	-63.3	-97.4	0	0	0	112.7
961	G	33.3	Very low	32	Very low	71 Å²	71	146.4 Å²	146.4	73%	0.732	79%	0.785	S	S	*	*			trans	126.1	89.4	140.8	0	0	0	0	0	118.4
962	K	28.9	Very low	32.1	Very low	201 Å²	201	143.8 Å²	143.8	87%	0.874	77%	0.769	S	S	*	*			trans	15.1	112.4	137.7	-55.6	167.7	-176.3	168.9	0	118.4
963	Q	32.8	Very low	32.1	Very low	171 Å²	171	138.5 Å²	138.5	80%	0.799	77%	0.765	S	S	*	*				-177.2	131.6	122.4	-99.2	161.3	42.5	0	0	109.4
964	Q	30.9	Very low	31.9	Very low	174 Å²	174	141 Å²	141	81%	0.813	75%	0.752	S	S	*	*				61.4	142.9	93.6	-67.5	-174.8	-5	0	0	115.4
965	H	30.3	Very low	31.8	Very low	122 Å²	122	143.6 Å²	143.6	57%	0.565	75%	0.748	S	S	*	*			cis	-177	123.5	-15.1	168.8	90.1	0	0	0	110.6	Q967	H965-Q967 VanDerWaalsContact CE1-CD 3.46Å; H965-Q967 PolarHBondContact NE2-OE1 3.36Å
966	Q	33.8	Very low	31.5	Very low	190 Å²	190	146.2 Å²	146.2	89%	0.888	75%	0.747	S	S	*	*			trans	-168.3	119.2	162.3	-105.7	158.3	15.3	0	0	106.7
967	Q	30.9	Very low	31.4	Very low	153 Å²	153	147.8 Å²	147.8	72%	0.715	75%	0.749	S	S	*	*			cis	68.8	136.1	33.7	-103.2	-175.2	6.2	0	0	113.5	H965	H965-Q967 VanDerWaalsContact CE1-CD 3.46Å; H965-Q967 PolarHBondContact NE2-OE1 3.36Å
968	S	30.1	Very low	31.1	Very low	90 Å²	90	147.2 Å²	147.2	63%	0.629	75%	0.746	S	S	*	*			cis	-158.1	-166	12.9	66.4	0	0	0	0	114.1
969	L	31.7	Very low	30.9	Very low	150 Å²	150	147.4 Å²	147.4	79%	0.785	74%	0.744	S	S	*	*			trans	77.1	148	179	-47.6	-173.1	0	0	0	114.7
970	L	33.2	Very low	31	Very low	149 Å²	149	145.8 Å²	145.8	78%	0.78	74%	0.741	S	S	*	*			cis	-153.1	-174.9	-16.4	-108.5	174.7	0	0	0	109.1
971	N	31.9	Very low	30.7	Very low	122 Å²	122	146.6 Å²	146.6	65%	0.652	74%	0.74	S	S	*	*				-152.3	160.9	-102.3	-159.1	-7.7	0	0	0	113.8
972	R	33	Very low	30.4	Very low	143 Å²	143	152.2 Å²	152.2	54%	0.54	75%	0.745	S	S	.	*			trans	82.3	137.2	158.6	-57.1	-175.6	170.4	143.2	-9.7	123.1	S999 E1000	R972-S999 WeakPolarHBondContact CD-OG 3.44Å; R972-E1000 VanDerWaalsContact CZ-CD 3.45Å; R972-E1000 IonicContact CZ-OE1 3.57Å; R972-E1000 IonicContact CZ-OE2 2.88Å; R972-E1000 IonicContact NE-OE1 3.51Å; R972-E1000 IonicContact NH1-OE1 2.68Å; R972-E1000 PolarHBondContact NH1-OE1 3.14Å; R972-E1000 IonicContact NH1-OE2 3.66Å; R972-E1000 PolarHBondContact NH1-OE2 3.46Å; R972-E1000 IonicContact NH2-OE1 2.65Å; R972-E1000 IonicContact NH2-OE2 3.32Å; R972-E1000 PolarHBondContact NH2-OE2 3.17Å
973	G	33.5	Very low	30.3	Very low	76 Å²	76	148.3 Å²	148.3	78%	0.784	74%	0.743	S	S	*	*			trans	135.2	45.6	161.7	0	0	0	0	0	117.7
974	R	30.7	Very low	29.9	Very low	159 Å²	159	148 Å²	148	60%	0.6	74%	0.739	S	S	*	*				85.7	128.3	80.4	-147.7	-169	-151.4	-162.8	14.1	115.4	S999 E1000	R974-S999 VanDerWaalsContact CZ-O 3.26Å; R974-S999 PolarHBondContact NH1-O 2.93Å; R974-S999 VanDerWaalsContact NH2-C 3.3Å; R974-S999 PolarHBondContact NH2-O 3.1Å; R974-E1000 PolarHBondContact NH2-O 3.32Å
975	L	30.1	Very low	29.6	Very low	126 Å²	126	146 Å²	146	66%	0.66	73%	0.728	S	S	*	*			trans	72.7	151.5	171.9	-65	114.2	0	0	0	119.6
976	R	27.5	Very low	29.4	Very low	202 Å²	202	148.3 Å²	148.3	76%	0.762	73%	0.732	S	S	*	*			cis	-169.5	129.9	-43.7	-125.3	-167.9	-74.3	-154.5	2.7	112
977	H	27.1	Very low	29.1	Very low	175 Å²	175	148.5 Å²	148.5	81%	0.81	72%	0.724	S	S	*	*			trans	66.7	161.8	141.7	-105.4	-105.4	0	0	0	124.2
978	V	27.1	Very low	28.9	Very low	131 Å²	131	146.6 Å²	146.6	79%	0.794	72%	0.723	S	S	*	*			trans	90.7	123.5	160.7	-163.4	0	0	0	0	120.6
979	K	25.7	Very low	28.8	Very low	191 Å²	191	148.5 Å²	148.5	83%	0.83	73%	0.731	S	S	*	*			trans	-110.5	170.2	157	-66.3	176.2	177.8	175.1	0	108
980	P	37	Very low	28.9	Very low	115 Å²	115	145.5 Å²	145.5	75%	0.747	73%	0.728	S	S	*	*			cis	-131.3	-138	-38.1	34.5	-12	0	0	0	109.8
981	E	26	Very low	28.8	Very low	168 Å²	168	145.3 Å²	145.3	79%	0.785	73%	0.727	S	S	*	*			trans	78.1	164.7	163.5	-75.4	-65.7	121.4	0	0	120.1
982	F	26	Very low	28.8	Very low	188 Å²	188	146.2 Å²	146.2	83%	0.825	73%	0.732	S	S	*	*			trans	-92.2	148.8	-165.2	-80.7	-107.5	0	0	0	114.8
983	S	27.4	Very low	28.8	Very low	120 Å²	120	144.8 Å²	144.8	84%	0.839	74%	0.743	S	S	*	*				-176.7	162.8	118.6	40	0	0	0	0	114.8
984	F	24.7	Very low	28.9	Very low	163 Å²	163	147 Å²	147	72%	0.715	74%	0.744	S	S	*	*			trans	-80.5	162.6	168.9	-93.5	-84.6	0	0	0	109.9
985	F	24.8	Very low	29.5	Very low	134 Å²	134	144.5 Å²	144.5	59%	0.588	75%	0.748	S	S	*	*			cis	-170	137.6	40.3	-159.9	-110.9	0	0	0	112.1
986	R	26.2	Very low	29.8	Very low	169 Å²	169	145.7 Å²	145.7	64%	0.638	76%	0.761	S	S	*	*			trans	60.1	138.7	153.7	-88.6	-168.2	-178.1	165.6	-0.7	123.1
987	R	26.4	Very low	30.1	Very low	194 Å²	194	139.2 Å²	139.2	73%	0.732	76%	0.757	S	S	*	*			trans	71.7	142.7	136.5	-76	-171.5	178	170.4	-4.8	118.3
988	T	26.9	Very low	30.4	Very low	113 Å²	113	140.3 Å²	140.3	69%	0.693	76%	0.762	S	S	*	*			cis	-162.5	155.6	-11.1	4.3	0	0	0	0	112.2
989	V	28.7	Very low	30.7	Very low	131 Å²	131	136.3 Å²	136.3	79%	0.794	74%	0.74	S	S	*	*			trans	75.1	143.7	147.8	165.9	0	0	0	0	119.3
990	A	32.7	Very low	31.1	Very low	87 Å²	87	132.6 Å²	132.6	72%	0.719	73%	0.726	S	S	*	*			trans	73.9	141.6	163.4	0	0	0	0	0	119.9
991	N	30.6	Very low	30.9	Very low	144 Å²	144	130.3 Å²	130.3	77%	0.77	72%	0.723	S	S	*	*			trans	-86.6	177.8	158.5	-45	-51.8	0	0	0	107.3
992	D	33.5	Very low	31.3	Very low	141 Å²	141	125.7 Å²	125.7	75%	0.754	72%	0.72	S	S	*	*				-158.6	142.5	64.5	-88.3	-48.5	0	0	0	114.2
993	C	32.4	Very low	31.5	Very low	114 Å²	114	126 Å²	126	77%	0.77	73%	0.725	S	S	*	*			trans	38.5	152	137.3	-67.5	0	0	0	0	124.4
994	P	35.5	Very low	31.8	Very low	122 Å²	122	124.1 Å²	124.1	79%	0.792	71%	0.711	S	S	*	*			trans	-125.9	-116.1	-136	27.5	-0.9	0	0	0	117.5
995	P	43.8	Very low	32.1	Very low	106 Å²	106	126.6 Å²	126.6	69%	0.688	72%	0.716	S	S	*	*				-133.1	170.4	-111.1	42.4	-25.9	0	0	0	117.6
996	T	35.1	Very low	32.4	Very low	152 Å²	152	126.9 Å²	126.9	93%	0.933	72%	0.719	S	S	*	*			trans	173	155.3	145.8	23.4	0	0	0	0	108.7
997	G	35.3	Very low	32.5	Very low	66 Å²	66	127 Å²	127	68%	0.68	73%	0.727	S	S	*	*			cis	-174.4	172	-5.6	0	0	0	0	0	112
998	Q	33.5	Very low	32.7	Very low	197 Å²	197	121.6 Å²	121.6	92%	0.921	73%	0.731	S	S	*	*			trans	51.7	99.3	161.1	-62.3	174.9	-4.7	0	0	119.7
999	S	32.9	Very low	32.8	Very low	48 Å²	48	121 Å²	121	34%	0.336	74%	0.738	S	S	.	*				96.3	-165.4	103.3	-137.3	0	0	0	0	113.1	R972 R974	R972-S999 WeakPolarHBondContact CD-OG 3.44Å; R974-S999 VanDerWaalsContact CZ-O 3.26Å; R974-S999 PolarHBondContact NH1-O 2.93Å; R974-S999 VanDerWaalsContact NH2-C 3.3Å; R974-S999 PolarHBondContact NH2-O 3.1Å
1000	E	33.4	Very low	32.7	Very low	113 Å²	113	120.2 Å²	120.2	53%	0.528	74%	0.738	S	S	.	*			cis	-115.1	-140.4	-9.5	-88.1	-64.4	100.3	0	0	111.9	R972 R974	R972-E1000 VanDerWaalsContact CZ-CD 3.45Å; R972-E1000 IonicContact CZ-OE1 3.57Å; R972-E1000 IonicContact CZ-OE2 2.88Å; R972-E1000 IonicContact NE-OE1 3.51Å; R972-E1000 IonicContact NH1-OE1 2.68Å; R972-E1000 PolarHBondContact NH1-OE1 3.14Å; R972-E1000 IonicContact NH1-OE2 3.66Å; R972-E1000 PolarHBondContact NH1-OE2 3.46Å; R972-E1000 IonicContact NH2-OE1 2.65Å; R972-E1000 IonicContact NH2-OE2 3.32Å; R972-E1000 PolarHBondContact NH2-OE2 3.17Å; R974-E1000 PolarHBondContact NH2-O 3.32Å
1001	G	33.9	Very low	32.8	Very low	67 Å²	67	125.5 Å²	125.5	69%	0.691	75%	0.745	S	S	*	*			trans	-100.9	-159.5	177.7	0	0	0	0	0	114.7
1002	G	34.1	Very low	32.5	Very low	70 Å²	70	128.2 Å²	128.2	72%	0.722	75%	0.753	S	S	*	*			cis	-179.2	156	-6	0	0	0	0	0	113.3
1003	E	30.6	Very low	32.4	Very low	196 Å²	196	125.4 Å²	125.4	92%	0.916	76%	0.757	S	S	*	*			trans	58.6	158.1	160.3	-67.6	-173.8	106.4	0	0	121.2
1004	S	32.4	Very low	32	Very low	80 Å²	80	131.8 Å²	131.8	56%	0.559	77%	0.765	S	S	*	*			cis	-164.9	172.3	-28.8	65.5	0	0	0	0	111.1
1005	R	30.4	Very low	31.7	Very low	214 Å²	214	135 Å²	135	81%	0.808	77%	0.769	S	S	*	*			trans	68.5	159.7	157.8	-70.7	167.2	175.7	-175.3	0.6	117.8
1006	H	32.3	Very low	31	Very low	141 Å²	141	138.1 Å²	138.1	65%	0.653	77%	0.774	S	S	*	*			cis	-137.5	-171.9	-7.7	-127	-69.7	0	0	0	111
1007	E	28.7	Very low	30.9	Very low	172 Å²	172	139.8 Å²	139.8	80%	0.804	77%	0.772	S	S	*	*			trans	-67.9	171.3	-172.3	-54.7	127.3	136.6	0	0	115.8
1008	G	29.5	Very low	30.6	Very low	79 Å²	79	143.8 Å²	143.8	81%	0.814	77%	0.772	S	S	*	*			trans	175.7	101.6	167.7	0	0	0	0	0	114.5
1009	A	29.4	Very low	30.4	Very low	102 Å²	102	144.3 Å²	144.3	84%	0.843	77%	0.766	S	S	*	*			trans	-73.4	146.1	-170.6	0	0	0	0	0	116.7
1010	S	26.7	Very low	30.3	Very low	114 Å²	114	147.6 Å²	147.6	80%	0.797	78%	0.776	S	S	*	*			trans	82	167.5	140.6	-154.3	0	0	0	0	120.9
1011	K	33.8	Very low	30.1	Very low	198 Å²	198	151 Å²	151	86%	0.861	79%	0.785	S	S	*	*			trans	81.1	146.5	171.4	-63.6	-173.9	177.5	179.4	0	119.7
1012	E	25.6	Very low	30.2	Very low	200 Å²	200	154 Å²	154	94%	0.935	79%	0.785	S	S	*	*			trans	-77.6	152.7	-174.2	-57.6	156.7	99.5	0	0	111.9
1013	G	31.1	Very low	30.1	Very low	82 Å²	82	157.5 Å²	157.5	85%	0.845	79%	0.786	S	S	*	*			trans	-169.7	87.1	176.3	0	0	0	0	0	113.7
1014	R	24.6	Very low	30.3	Very low	249 Å²	249	151.4 Å²	151.4	94%	0.94	78%	0.776	S	S	*	*			trans	-77.4	136.3	159.8	-70.3	-179.8	179.8	167.3	1.4	108.7
1015	Q	29.3	Very low	30.4	Very low	188 Å²	188	154 Å²	154	88%	0.879	78%	0.784	S	S	*	*				-167.2	170.2	120	-106.9	174.8	41.8	0	0	113.4
1016	H	29.3	Very low	30.4	Very low	173 Å²	173	150.4 Å²	150.4	80%	0.801	78%	0.78	S	S	*	*			trans	-89.6	162.5	-176.1	-66.6	-96	0	0	0	112.6
1017	Q	31.6	Very low	30.4	Very low	187 Å²	187	149.4 Å²	149.4	87%	0.874	78%	0.779	S	S	*	*				177.9	159.4	122.7	-93.8	174.3	61.3	0	0	109.4
1018	H	29	Very low	30.6	Very low	150 Å²	150	150 Å²	150	69%	0.694	78%	0.779	S	S	*	*			cis	-166.3	-179.8	-36	-156.1	-97.8	0	0	0	109.5
1019	R	30.7	Very low	30.7	Very low	208 Å²	208	153.7 Å²	153.7	79%	0.785	77%	0.772	S	S	*	*			trans	78.4	114.3	167.2	-57.6	-160.1	165.8	156.2	-0.9	115.2
1020	Q	30.1	Very low	30.7	Very low	117 Å²	117	153.7 Å²	153.7	55%	0.547	77%	0.766	S	S	.	*				87.5	135.9	69.5	-81.3	167.4	-39	0	0	111.2
1021	Y	29.5	Very low	30.8	Very low	184 Å²	184	159.4 Å²	159.4	72%	0.722	77%	0.77	S	S	*	*			cis	-142.9	-178.9	3.7	-84.6	-71.9	0	0	0	108.1
1022	N	35.9	Very low	30.5	Very low	129 Å²	129	159.7 Å²	159.7	69%	0.69	77%	0.772	S	S	*	*			cis	-148.1	163.7	4.3	-142.6	-2.7	0	0	0	116.1
1023	I	31.4	Very low	30.5	Very low	144 Å²	144	154.6 Å²	154.6	74%	0.738	76%	0.764	S	S	*	*			trans	-30.2	146.7	160.9	-68.3	166	0	0	0	119
1024	G	34.6	Very low	30.3	Very low	69 Å²	69	155.8 Å²	155.8	71%	0.711	77%	0.765	S	S	*	*			trans	-170.8	24.1	175.5	0	0	0	0	0	119
1025	N	35.7	Very low	30.6	Very low	135 Å²	135	148.6 Å²	148.6	72%	0.722	76%	0.759	S	S	*	*			trans	65.4	113.7	176.8	-59.6	-25.8	0	0	0	117.4
1026	L	30.4	Very low	30.6	Very low	138 Å²	138	147.2 Å²	147.2	72%	0.723	76%	0.757	S	S	*	*				71.1	139.8	52.2	-70.9	63	0	0	0	113.2
1027	L	31.9	Very low	30.7	Very low	120 Å²	120	145.2 Å²	145.2	63%	0.628	76%	0.76	S	S	*	*			cis	-162.7	175.5	-11.8	-109	170.3	0	0	0	106.8	F1029	L1027-F1029 HydrophobicContact CD1-CE2 4.18Å; L1027-F1029 HydrophobicContact CD2-CD2 4.32Å; L1027-F1029 HydrophobicContact CD2-CE2 3.99Å; L1027-F1029 HydrophobicContact CD2-CZ 4.48Å
1028	K	33.3	Very low	30.6	Very low	185 Å²	185	144.7 Å²	144.7	80%	0.804	76%	0.757	S	S	*	*			cis	-156.7	149.9	46.3	-78.2	-178.1	177.3	-178.5	0	113.3
1029	F	31.2	Very low	30.6	Very low	155 Å²	155	144.9 Å²	144.9	68%	0.68	76%	0.758	S	S	*	*			trans	4.4	142.5	153.6	-54.6	-89.6	0	0	0	121.4	L1027	L1027-F1029 HydrophobicContact CD1-CE2 4.18Å; L1027-F1029 HydrophobicContact CD2-CD2 4.32Å; L1027-F1029 HydrophobicContact CD2-CE2 3.99Å; L1027-F1029 HydrophobicContact CD2-CZ 4.48Å
1030	S	29.4	Very low	30.4	Very low	102 Å²	102	144.7 Å²	144.7	71%	0.713	76%	0.757	S	S	*	*			cis	94.7	137.2	14.1	-158.5	0	0	0	0	118.4
1031	R	27.7	Very low	30.3	Very low	234 Å²	234	150.2 Å²	150.2	88%	0.883	77%	0.773	S	S	*	*			trans	71.5	107	165.5	-70	176.5	177.6	-179.1	-1.3	122.7
1032	K	28.3	Very low	30.1	Very low	205 Å²	205	152.6 Å²	152.6	89%	0.891	78%	0.781	S	S	*	*				167.4	135.2	124.2	-91.2	-179.5	178.1	-175.2	0	107.2
1033	A	26.4	Very low	29.9	Very low	93 Å²	93	154.1 Å²	154.1	77%	0.769	79%	0.789	S	S	*	*			cis	91.2	127.4	26.7	0	0	0	0	0	114.8
1034	A	26.8	Very low	29.7	Very low	106 Å²	106	154.2 Å²	154.2	88%	0.876	79%	0.791	S	S	*	*			trans	72.5	163.1	177.4	0	0	0	0	0	118.7
1035	A	29.8	Very low	29.2	Very low	99 Å²	99	161.2 Å²	161.2	82%	0.818	80%	0.796	S	S	*	*			trans	71.6	107	174.5	0	0	0	0	0	119.6
1036	L	30.1	Very low	28.7	Very low	159 Å²	159	165.7 Å²	165.7	83%	0.832	80%	0.802	S	S	*	*			trans	-68.2	158	141.3	-86.9	155.2	0	0	0	109.2
1037	P	30.6	Very low	28.8	Very low	131 Å²	131	167.8 Å²	167.8	85%	0.851	81%	0.808	S	S	*	*				-137.4	172.4	102.7	25.1	-6.2	0	0	0	114.3
1038	Q	29.7	Very low	28.6	Very low	175 Å²	175	167.8 Å²	167.8	82%	0.818	81%	0.813	S	S	*	*			trans	-132.7	119.7	-170.9	169.2	-167.1	3.6	0	0	108.9
1039	E	29.7	Very low	28.2	Very low	155 Å²	155	167.3 Å²	167.3	72%	0.724	82%	0.819	S	S	*	*			trans	-144.1	148.9	172.9	-155.2	75	-99.2	0	0	113.5
1040	R	26	Very low	28	Very low	203 Å²	203	163.9 Å²	163.9	77%	0.766	83%	0.826	S	S	*	*			trans	-41.1	140	-178.9	-64.9	156.6	-141	-117	-0.5	114.7
1041	R	27.7	Very low	28.1	Very low	234 Å²	234	164.7 Å²	164.7	88%	0.883	83%	0.832	S	S	*	*				65.9	133.5	68.1	-85.9	-174.2	173.2	-179.7	-0.6	113.6
1042	R	26.5	Very low	28	Very low	233 Å²	233	162.3 Å²	162.3	88%	0.879	83%	0.833	S	S	*	*			trans	76.3	142.7	-166.8	-54.3	172.7	-179.4	156.2	-2.5	110.5
1043	D	31	Very low	28.1	Very low	162 Å²	162	160.9 Å²	160.9	87%	0.866	83%	0.83	S	S	*	*			cis	-118.1	176	16	-84.7	-58.6	0	0	0	116.6
1044	L	26	Very low	28.2	Very low	146 Å²	146	162.2 Å²	162.2	76%	0.764	83%	0.829	S	S	*	*			trans	-131.8	140.8	-177.9	-163.7	84.8	0	0	0	110.3
1045	R	24.5	Very low	28.3	Very low	216 Å²	216	164.8 Å²	164.8	82%	0.815	82%	0.823	S	S	*	*			trans	81.1	148.8	172.7	-48.3	178.8	175.6	-157.7	-1.5	116.9
1046	R	25.9	Very low	28.2	Very low	228 Å²	228	166.3 Å²	166.3	86%	0.86	81%	0.812	S	S	*	*			trans	68	138.9	178.6	-43.2	-178.2	-167.9	-162.1	2.8	112.2
1047	H	33.2	Very low	28.1	Very low	183 Å²	183	165.8 Å²	165.8	85%	0.847	80%	0.804	S	S	*	*			cis	-116.8	153.6	14.2	-88.3	-110.7	0	0	0	115.1
1048	T	26.5	Very low	28.1	Very low	119 Å²	119	169 Å²	169	73%	0.73	80%	0.799	S	S	*	*			trans	-98.8	157.2	167.8	-15.7	0	0	0	0	110.3
1049	L	26.1	Very low	28	Very low	176 Å²	176	166.9 Å²	166.9	92%	0.921	80%	0.804	S	S	*	*			trans	65.8	134.3	165	-59.4	166.6	0	0	0	117.1
1050	G	26.5	Very low	28.2	Very low	82 Å²	82	162.7 Å²	162.7	85%	0.845	80%	0.802	S	S	*	*			trans	157.5	65.3	171.8	0	0	0	0	0	117.3
1051	S	30.4	Very low	28.4	Very low	119 Å²	119	164.2 Å²	164.2	83%	0.832	81%	0.808	S	S	*	*			trans	171.8	116.6	136.8	-177.2	0	0	0	0	110.4
1052	M	25.4	Very low	28.5	Very low	184 Å²	184	163.4 Å²	163.4	91%	0.906	81%	0.805	S	S	*	*			trans	-116	137.4	167.2	-75	171	56.6	0	0	108.6
1053	E	30.9	Very low	28.7	Very low	176 Å²	176	159 Å²	159	82%	0.822	79%	0.794	S	S	*	*			trans	-162.1	127.1	165.4	-99	178.3	-174.1	0	0	107.2
1054	T	29.8	Very low	28.8	Very low	121 Å²	121	158.2 Å²	158.2	74%	0.742	79%	0.789	S	S	*	*			cis	-164.3	174.3	-11.1	-8.5	0	0	0	0	108.5
1055	E	27	Very low	28.8	Very low	160 Å²	160	160.6 Å²	160.6	75%	0.748	79%	0.788	S	S	*	*			trans	74.3	144.8	165.5	-44.6	-151.7	104.7	0	0	118.1
1056	Q	27.9	Very low	29.1	Very low	130 Å²	130	157.5 Å²	157.5	61%	0.607	78%	0.782	S	S	*	*			cis	-164.5	137.6	-21.9	-104.2	-165.9	51.5	0	0	107.1
1057	F	29.4	Very low	29.2	Very low	148 Å²	148	154.3 Å²	154.3	65%	0.649	78%	0.775	S	S	*	*				168	118.8	127.6	-110	-105.7	0	0	0	115.3
1058	R	29.3	Very low	28.9	Very low	198 Å²	198	150.9 Å²	150.9	75%	0.747	77%	0.766	S	S	*	*			trans	41.4	113.7	145.2	-63	-173	-178.2	175.7	1.2	123.8
1059	S	28.8	Very low	28.9	Very low	132 Å²	132	153.1 Å²	153.1	92%	0.923	77%	0.766	S	S	*	*				83.7	144.8	124.1	-154	0	0	0	0	120.5
1060	G	32.5	Very low	29	Very low	66 Å²	66	149.9 Å²	149.9	68%	0.68	75%	0.75	S	S	*	*			trans	176.5	-19.9	177.5	0	0	0	0	0	121.8
1061	R	30.2	Very low	29.1	Very low	235 Å²	235	151.6 Å²	151.6	89%	0.887	74%	0.739	S	S	*	*			trans	67.7	132.8	-173.5	-66.6	-179.4	177.2	-169.5	-0.8	113.9
1062	R	30.1	Very low	29	Very low	218 Å²	218	152.4 Å²	152.4	82%	0.823	73%	0.734	S	S	*	*				63.7	142.3	67.1	-66.2	-178.6	172.5	-151	6.8	112.9
1063	Q	32	Very low	29.2	Very low	139 Å²	139	151.5 Å²	151.5	65%	0.65	73%	0.728	S	S	*	*			cis	-169.6	164.6	-8.1	-108.4	172	-96.5	0	0	106.1
1064	L	31.2	Very low	29.1	Very low	146 Å²	146	152.3 Å²	152.3	76%	0.764	73%	0.732	S	S	*	*			cis	-120.6	-175.3	2.4	-71.2	92.2	0	0	0	108.8
1065	R	26.7	Very low	29.1	Very low	196 Å²	196	149.5 Å²	149.5	74%	0.74	73%	0.727	S	S	*	*			cis	96.8	127.9	7.5	-139.2	-170.7	-154.7	-138.3	11.4	118.2
1066	H	30.8	Very low	29.5	Very low	151 Å²	151	148.9 Å²	148.9	70%	0.699	73%	0.729	S	S	*	*			trans	79.6	153	159.2	-74.2	-33.9	0	0	0	118.4
1067	K	28.2	Very low	29.9	Very low	162 Å²	162	149.7 Å²	149.7	70%	0.704	73%	0.732	S	S	*	*			cis	-162.3	172.5	5.5	-134.2	-178.3	171.8	-167.9	0	111.9
1068	V	26.8	Very low	30.3	Very low	110 Å²	110	148.8 Å²	148.8	67%	0.667	73%	0.734	S	S	*	*			trans	68.4	146.2	143.6	154	0	0	0	0	117.4
1069	F	27.2	Very low	30.6	Very low	167 Å²	167	146.2 Å²	146.2	73%	0.732	74%	0.735	S	S	*	*			cis	-178.2	159.4	-29.3	-121.7	-22.4	0	0	0	106.7
1070	N	27.7	Very low	31.1	Very low	107 Å²	107	147.2 Å²	147.2	57%	0.572	73%	0.73	S	S	*	*			trans	64.2	160.3	143.3	-65.7	28.9	0	0	0	119.5
1071	D	28	Very low	31.2	Very low	118 Å²	118	147.3 Å²	147.3	63%	0.631	73%	0.732	S	S	*	*			cis	-161.1	-176.8	-18	-99.8	-10.3	0	0	0	109.1
1072	D	29.5	Very low	31.5	Very low	136 Å²	136	139.7 Å²	139.7	73%	0.727	73%	0.726	S	S	*	*			trans	74.7	107.8	149.4	-57.6	-26.3	0	0	0	124.1
1073	E	28.8	Very low	31.7	Very low	166 Å²	166	139.7 Å²	139.7	78%	0.776	73%	0.726	S	S	*	*				70.8	158	111.8	-58.8	-90	80.6	0	0	124.1
1074	E	29.1	Very low	31.9	Very low	192 Å²	192	136 Å²	136	90%	0.897	73%	0.725	S	S	*	*			trans	61.7	139.6	163	-68.8	170.8	166	0	0	120.3
1075	G	30.1	Very low	32.1	Very low	62 Å²	62	134.8 Å²	134.8	64%	0.639	72%	0.72	S	S	*	*			cis	-179.6	169.5	-6.2	0	0	0	0	0	113.3
1076	D	34.3	Very low	32.5	Very low	148 Å²	148	134.3 Å²	134.3	79%	0.791	73%	0.726	S	S	*	*			trans	64.3	146.5	147.3	-65.1	11	0	0	0	122
1077	H	36.4	Very low	32.8	Very low	147 Å²	147	131.9 Å²	131.9	68%	0.681	72%	0.723	S	S	*	*			cis	-161.6	166.9	-19.8	-129.8	-69.6	0	0	0	110.4
1078	D	38.7	Very low	33.2	Very low	128 Å²	128	130.6 Å²	130.6	68%	0.684	73%	0.729	S	S	*	*			trans	68.2	147.5	149	-63.8	-20.9	0	0	0	124.7
1079	D	36	Very low	33.3	Very low	145 Å²	145	132 Å²	132	78%	0.775	73%	0.728	S	S	*	*			cis	-163.8	168.5	-31.5	-155	6.7	0	0	0	113.3
1080	D	38.1	Very low	33.6	Very low	152 Å²	152	131 Å²	131	81%	0.813	73%	0.729	S	S	*	*			trans	68.9	153.8	151.9	-153.4	16.8	0	0	0	122.1
1081	G	35.8	Very low	33.7	Very low	69 Å²	69	135.3 Å²	135.3	71%	0.711	74%	0.738	S	S	*	*			trans	164.7	-23.4	168.6	0	0	0	0	0	119.2
1082	G	35.4	Very low	33.8	Very low	74 Å²	74	136.1 Å²	136.1	76%	0.763	74%	0.741	S	S	*	*			trans	56.1	178.1	175.8	0	0	0	0	0	119.7
1083	R	34	Very low	33.7	Very low	219 Å²	219	136.7 Å²	136.7	83%	0.826	74%	0.737	S	S	*	*			cis	179.9	152.2	-43.9	178.4	176.9	-120	-72.5	8.2	108	D1085	R1083-D1085 WeakPolarHBondContact CG-OD2 3.23Å; R1083-D1085 IonicContact CZ-OD2 3.39Å; R1083-D1085 IonicContact NH1-OD1 3.86Å; R1083-D1085 PolarHBondContact NH1-OD1 3.26Å; R1083-D1085 IonicContact NH1-OD2 3.03Å; R1083-D1085 PolarHBondContact NH1-OD2 3.01Å
1084	G	36.5	Very low	33.7	Very low	62 Å²	62	136.5 Å²	136.5	64%	0.639	74%	0.737	S	S	*	*			trans	130	79.3	176.1	0	0	0	0	0	111.9
1085	D	35.2	Very low	33.8	Very low	120 Å²	120	132.8 Å²	132.8	64%	0.642	73%	0.732	S	S	*	*				67.9	126.8	74.2	-56.9	-57.7	0	0	0	111.3	R1083	R1083-D1085 WeakPolarHBondContact CG-OD2 3.23Å; R1083-D1085 IonicContact CZ-OD2 3.39Å; R1083-D1085 IonicContact NH1-OD1 3.86Å; R1083-D1085 PolarHBondContact NH1-OD1 3.26Å; R1083-D1085 IonicContact NH1-OD2 3.03Å; R1083-D1085 PolarHBondContact NH1-OD2 3.01Å
1086	E	34.9	Very low	34.1	Very low	186 Å²	186	134.8 Å²	134.8	87%	0.869	73%	0.734	S	S	*	*			cis	-148.3	151.5	43.1	-176.2	-175.3	-132.5	0	0	114.6
1087	P	38.2	Very low	33.7	Very low	100 Å²	100	134.6 Å²	134.6	65%	0.649	73%	0.732	S	S	*	*			trans	-132.2	162.6	172.6	41.8	-28.4	0	0	0	116.7
1088	V	35.6	Very low	33.1	Very low	134 Å²	134	136.7 Å²	136.7	81%	0.812	73%	0.733	S	S	*	*			trans	-140.5	122.5	162.3	-178.6	0	0	0	0	108.8
1089	Q	30.7	Very low	32.5	Very low	141 Å²	141	140.9 Å²	140.9	66%	0.659	74%	0.74	S	S	*	*			cis	95.1	145.4	29.9	-80.8	-92.5	15	0	0	116.7	W1091	Q1089-W1091 VanDerWaalsContact OE1-CD1 3.31Å
1090	L	32.5	Very low	32.2	Very low	145 Å²	145	139.5 Å²	139.5	76%	0.759	74%	0.741	S	S	*	*			trans	97.5	92.7	-179.2	-59.5	167.9	0	0	0	115.2
1091	W	30.1	Very low	32.1	Very low	197 Å²	197	139.6 Å²	139.6	75%	0.746	74%	0.742	S	S	*	*				80.1	152.5	72.7	-81	47.7	0	0	0	113.4	Q1089	Q1089-W1091 VanDerWaalsContact OE1-CD1 3.31Å
1092	L	29.6	Very low	32.4	Very low	135 Å²	135	141 Å²	141	71%	0.707	74%	0.738	S	S	*	*			cis	169.7	157.7	-27.9	-136.9	160.2	0	0	0	105
1093	K	27.2	Very low	32.3	Very low	148 Å²	148	143.8 Å²	143.8	64%	0.643	74%	0.736	S	S	*	*			trans	97.2	113.8	142.3	-147.9	159.8	-177.1	179.2	0	121.1
1094	E	29.2	Very low	32.2	Very low	163 Å²	163	141 Å²	141	76%	0.762	73%	0.734	S	S	*	*			trans	82.4	164.2	139.3	-78.8	160.4	-159.5	0	0	124.6
1095	S	31.5	Very low	32.2	Very low	113 Å²	113	142.7 Å²	142.7	79%	0.79	74%	0.736	S	S	*	*			trans	-102.9	-159.6	-166.8	-55.4	0	0	0	0	109.8
1096	P	36.6	Very low	32.3	Very low	105 Å²	105	141.7 Å²	141.7	68%	0.682	74%	0.739	S	S	*	*			cis	-149.2	-176.7	5.4	45.5	-24	0	0	0	119.2
1097	L	25.4	Very low	32.8	Very low	143 Å²	143	138.3 Å²	138.3	75%	0.749	73%	0.733	S	S	*	*			trans	53.4	129.8	140.9	-73.2	161.9	0	0	0	124.6
1098	R	24.8	Very low	32.7	Very low	191 Å²	191	138.8 Å²	138.8	72%	0.721	74%	0.738	S	S	*	*			trans	74.7	127.1	137.1	-73.1	176.6	178.7	-152.6	2.9	122.8
1099	R	25.8	Very low	32.8	Very low	217 Å²	217	138.7 Å²	138.7	82%	0.819	74%	0.738	S	S	*	*			trans	60.6	147.8	134.5	-62.5	-179.8	-179.3	-173.2	-1.7	117.9
1100	S	29.2	Very low	33.3	Very low	115 Å²	115	137.7 Å²	137.7	80%	0.804	74%	0.744	S	S	*	*			cis	-157.6	168.3	8	27.1	0	0	0	0	113.1
1101	N	35.5	Very low	33.3	Very low	154 Å²	154	135.5 Å²	135.5	82%	0.824	74%	0.741	S	S	*	*			trans	-54	168	162.7	-98.6	32.9	0	0	0	113.5
1102	P	43	Very low	33.5	Very low	99 Å²	99	134.5 Å²	134.5	64%	0.643	75%	0.747	S	S	*	*			cis	-153.4	-171.9	49.8	45.5	-24.1	0	0	0	119.9
1103	D	31.9	Very low	33.8	Very low	132 Å²	132	131.3 Å²	131.3	71%	0.706	75%	0.746	S	S	*	*			trans	65	144.6	155.9	-59.2	-29.4	0	0	0	120.3
1104	M	33.7	Very low	34.2	Very low	160 Å²	160	131.3 Å²	131.3	79%	0.788	75%	0.753	S	S	*	*			cis	-159.6	176.6	-8.7	-106	-67.9	173.5	0	0	106.9
1105	S	36.6	Very low	34.5	Very low	99 Å²	99	133.8 Å²	133.8	69%	0.692	76%	0.756	S	S	*	*			cis	-149.4	174	-0.6	44.5	0	0	0	0	107.3
1106	S	35.6	Very low	34.7	Very low	99 Å²	99	134.1 Å²	134.1	69%	0.692	76%	0.755	S	S	*	*			cis	93.4	143.4	24	115.7	0	0	0	0	116
1107	P	45.5	Very low	34.3	Very low	114 Å²	114	134.5 Å²	134.5	74%	0.74	75%	0.751	S	S	*	*			cis	-137.4	-166	1.5	42.7	-24	0	0	0	117.1
1108	S	37.7	Very low	34.4	Very low	110 Å²	110	138 Å²	138	77%	0.769	75%	0.754	S	S	*	*			trans	87.3	136.3	177.8	77.4	0	0	0	0	117
1109	V	37.2	Very low	34.7	Very low	132 Å²	132	134.8 Å²	134.8	80%	0.8	76%	0.755	S	S	*	*			cis	80.1	136.5	0.8	-171.1	0	0	0	0	116.4
1110	P	40.5	Very low	34.6	Very low	120 Å²	120	133.1 Å²	133.1	78%	0.779	76%	0.756	S	S	*	*			cis	-111.1	-145.6	2.9	30.4	-7.7	0	0	0	112.5
1111	S	32.8	Very low	35	Very low	100 Å²	100	135 Å²	135	70%	0.699	77%	0.77	S	S	*	*			cis	-161.1	-167.2	7.6	-153.8	0	0	0	0	114.3
1112	M	35.3	Very low	35	Very low	176 Å²	176	134.1 Å²	134.1	87%	0.867	77%	0.767	S	S	*	*			trans	-32.2	139.6	173.4	-62.8	153.6	174.9	0	0	116.5
1113	G	35.6	Very low	34.6	Very low	68 Å²	68	135.9 Å²	135.9	70%	0.701	77%	0.774	S	S	*	*			cis	172	-174.5	7.7	0	0	0	0	0	110.5
1114	D	35.2	Very low	34.8	Very low	147 Å²	147	136.1 Å²	136.1	79%	0.786	78%	0.777	S	S	*	*			cis	-164.8	-173.3	-19.5	-97.3	-48.8	0	0	0	110.4
1115	R	35.3	Very low	34.8	Very low	216 Å²	216	134.7 Å²	134.7	82%	0.815	78%	0.777	S	S	*	*			trans	-148.9	171.1	180	-62.1	-173.8	174	-155.8	1.7	112.1
1116	P	34.7	Very low	34.7	Very low	119 Å²	119	136.9 Å²	136.9	77%	0.773	78%	0.782	S	S	*	*				-127.5	168.3	84.5	5.5	17.6	0	0	0	113.7
1117	L	29.3	Very low	34.7	Very low	114 Å²	114	139.5 Å²	139.5	60%	0.597	79%	0.788	S	S	*	*			cis	93.1	144.3	16.4	-123.8	178.1	0	0	0	115.9
1118	W	27	Very low	33.9	Very low	216 Å²	216	141.3 Å²	141.3	82%	0.818	79%	0.791	S	S	*	*			trans	73.1	146.3	178.9	-43	98.1	0	0	0	115.7
1119	V	30.8	Very low	33.6	Very low	124 Å²	124	143.7 Å²	143.7	75%	0.752	79%	0.793	S	S	*	*			cis	-149.7	174.1	-13	97.6	0	0	0	0	111.9
1120	H	25.3	Very low	33.3	Very low	181 Å²	181	144.7 Å²	144.7	84%	0.838	79%	0.792	S	S	*	*			trans	-55.1	144	179.2	-80.5	-75.7	0	0	0	116.9
1121	S	37.7	Very low	32.6	Very low	155 Å²	155	146.9 Å²	146.9	100%	1.084	79%	0.794	S	S	*	*				-140.1	0	115.8	-176.8	0	0	0	0	110.3

Retrieved 1,121 of 1,121 residues in 934.4 ms (Link to these results)

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