A0A3Q0KSG0_SCHMA Loading...

HECT-type E3 ubiquitin transferase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KSG0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,061 aa.

						>A0A3Q0KSG0_SCHMA|A0A3Q0KSG0
MSIPESQAKHLITLYFNQLIHGCRNVDCQNRNCASSANFAHSGITPNQAAALAIELTVNRADLCLSTDAILSSSGMSNPSTSSSVEPEVNRNDNGDETSNEINEASSYLSQELPSLQTTSVPSSQQLAATSDAITSGPDEDSFHSLMTPAEVTRLIMFLFDASENDEINSSQLNEPASGVNTEDYAADNDNSLTSAFLSRSHLFGTSRPSSSSSDTLKALKGPTNQNNHTTPSLNTSIERESRKTGLTLTELQKAIEMGKKNGEWSCLISLLNSVFSSYDALSSSFLHELCVARSGKQSKRDKKTTDVSGSPLCSTSAKTLKDYIEVISPTVNNSDGSVDNITESSWVEGMTSSSTDFPIYQNDVEMDDQQVNSIEIIEKSENNVYWPSVNLNDLRKAWSMIVSIPERQNIVDTLMRAVRRLVVISLHQLLVIQPPDGLDDNQPPTEIAIIQQRLVNLFTILYECPFATDPLHFELLLLNINRAVTWLPNTIQVMLCRAWANSVHTPLANCTESPNPEQTNLWCLQKILLHHITLRCLTTDHGLPNEDKQICEAALVLRIVYYASLLAGQMDSPELLEMEAEENRLFEQQMRTHIGPTYERRSRVSLPEDPFAKALNISPNDCRKPFIPVKDFVNETLNDGLQPKKDYIYYRSKGISNELSFMKLPFLLQTSSKSVLLYYDNRMRMLDERRGVLMHTFLMDTPEMPFFKLRVHRDRIVEDALLILEIAFMENPGDFKKQLLIEFDGEQGIDEGGLSKEFFQLIIERIFNPDYGMFVLDEETQNYWFNPVPLDDMEREYCLIGTLLGLAIYNDVILDVNFPSVLYRKLVGKLGTFEDLFDARPSLAQGLKSLLEYEHDDIENVFGCSFSVNYLDPFGNVVTHELKPDGATIPVTKENRKEYVDLYSSFLLNDSVKKQFNAFRRGFQMVVDESPLTFLFRPDELELLVRGSPVYDFNELERVTTYEEYTSDSAVIKNFWSVVHSMTEEQKKQLLQFSTGSDRVPVGGMSKMKFTIARQGADTNRLPSAHTCFNILLLPEYQSLEKLQQSLLLAITHCKGFGMS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.9	Very low	70.1	Confident	218 Å²	218	98.9 Å²	98.9	100%	1.074	53%	0.525	S	S	*	.				0	107.8	0	-70.5	165.6	171.7	0	0	106.9
2	S	57	Low	71.6	Confident	119 Å²	119	95.1 Å²	95.1	83%	0.832	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-62	149.2	158.3	27.5	0	0	0	0	108.7
3	I	62.5	Low	72.7	Confident	42 Å²	42	93.2 Å²	93.2	22%	0.215	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-90.8	134.6	163.8	-60.9	176	0	0	0	105.3	Q7 A8 L11 T57	I3-Q7 HydrophobicContact CG2-CB 3.83Å; I3-Q7 HydrophobicContact CG2-CG 3.84Å; I3-A8 HydrophobicContact CG2-CB 4.09Å; I3-L11 HydrophobicContact CD1-CD1 4.29Å; I3-L11 HydrophobicContact CG2-CD1 4.35Å; I3-T57 HydrophobicContact CD1-CG2 4.43Å
4	P	71.9	Confident	73.9	Confident	76 Å²	76	88.6 Å²	88.6	49%	0.494	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-54.3	146.6	173.1	-25.3	34.5	0	0	0	111.5	S6 Q7 A8	P4-S6 VanDerWaalsContact C-N 3.3Å; P4-S6 PolarHBondContact O-N 3.07Å; P4-Q7 HydrophobicContact CB-CB 4.29Å; P4-Q7 PolarHBondContact O-N 3.09Å; P4-Q7 VanDerWaalsContact O-N 3.11Å; P4-A8 WeakPolarHBondContact O-CB 3.42Å; P4-A8 PolarHBondContact O-N 2.8Å
5	E	72.1	Confident	75.2	Confident	177 Å²	177	83.3 Å²	83.3	83%	0.827	44%	0.444	S	S	*	.	H	α-helix	trans	-63.6	-35.5	-172.5	-168.1	169	162.6	0	0	112.6	A8 K9	E5-A8 PolarHBondContact O-N 2.87Å; E5-K9 WeakPolarHBondContact O-CB 3.31Å; E5-K9 PolarHBondContact O-N 2.8Å
6	S	66.1	Low	76.3	Confident	66 Å²	66	81.9 Å²	81.9	46%	0.462	43%	0.433	S	S	.	.	H	α-helix	trans	-57.9	-52	170.4	54.8	0	0	0	0	112.2	P4 A8 K9 H10	P4-S6 VanDerWaalsContact C-N 3.3Å; P4-S6 PolarHBondContact O-N 3.07Å; S6-A8 VanDerWaalsContact C-N 3.3Å; S6-A8 PolarHBondContact O-N 3.36Å; S6-K9 PolarHBondContact O-N 2.85Å; S6-H10 PolarHBondContact O-N 3.09Å
7	Q	74.5	Confident	77	Confident	108 Å²	108	81.1 Å²	81.1	51%	0.505	43%	0.43	S	S	.	.	H	α-helix	trans	-65.8	-32.2	178.9	-172.8	173.9	80.6	0	0	111.8	I3 P4 L11	I3-Q7 HydrophobicContact CG2-CB 3.83Å; I3-Q7 HydrophobicContact CG2-CG 3.84Å; P4-Q7 HydrophobicContact CB-CB 4.29Å; P4-Q7 PolarHBondContact O-N 3.09Å; P4-Q7 VanDerWaalsContact O-N 3.11Å; Q7-L11 HydrophobicContact CG-CD1 4.24Å; Q7-L11 WeakPolarHBondContact O-CB 3.44Å; Q7-L11 VanDerWaalsContact O-CG 3.26Å; Q7-L11 WeakPolarHBondContact O-CG 3.42Å; Q7-L11 PolarHBondContact O-N 3.06Å
8	A	79.6	Confident	77.9	Confident	22 Å²	22	77.2 Å²	77.2	18%	0.182	41%	0.409	C	S	.	.	H	α-helix	trans	-68.9	-47.4	172.5	0	0	0	0	0	111.9	I3 P4 E5 S6 H10 L11 I12	I3-A8 HydrophobicContact CG2-CB 4.09Å; P4-A8 WeakPolarHBondContact O-CB 3.42Å; P4-A8 PolarHBondContact O-N 2.8Å; E5-A8 PolarHBondContact O-N 2.87Å; S6-A8 VanDerWaalsContact C-N 3.3Å; S6-A8 PolarHBondContact O-N 3.36Å; A8-H10 VanDerWaalsContact C-N 3.3Å; A8-H10 PolarHBondContact O-N 3.19Å; A8-L11 PolarHBondContact O-N 3.46Å; A8-I12 WeakPolarHBondContact O-CB 3.37Å; A8-I12 WeakPolarHBondContact O-CD1 3.25Å; A8-I12 VanDerWaalsContact O-CG1 3.22Å; A8-I12 WeakPolarHBondContact O-CG1 3.35Å; A8-I12 PolarHBondContact O-N 3.28Å
9	K	78.4	Confident	78.7	Confident	127 Å²	127	73.3 Å²	73.3	55%	0.552	39%	0.388	S	S	*	.	H	α-helix	trans	-53.1	-49	173	-176.9	-177.7	176.2	-173.3	0	109.9	E5 S6 I12 T13 E719	E5-K9 WeakPolarHBondContact O-CB 3.31Å; E5-K9 PolarHBondContact O-N 2.8Å; S6-K9 PolarHBondContact O-N 2.85Å; K9-I12 PolarHBondContact O-N 2.79Å; K9-T13 PolarHBondContact O-N 2.72Å; K9-T13 PolarHBondContact O-OG1 3.02Å; K9-E719 IonicContact NZ-OE1 2.73Å; K9-E719 PolarHBondContact NZ-OE1 3.28Å
10	H	80	Confident	79.4	Confident	102 Å²	102	72.3 Å²	72.3	47%	0.472	38%	0.382	S	S	.	.	H	α-helix	trans	-63.6	-48.5	179.1	-168.4	91.3	0	0	0	113.1	S6 A8 I12 T13 L14	S6-H10 PolarHBondContact O-N 3.09Å; A8-H10 VanDerWaalsContact C-N 3.3Å; A8-H10 PolarHBondContact O-N 3.19Å; H10-I12 PolarHBondContact O-N 3.5Å; H10-T13 WeakPolarHBondContact O-CB 3.24Å; H10-T13 PolarHBondContact O-N 3.05Å; H10-L14 WeakPolarHBondContact O-CG 3.43Å; H10-L14 PolarHBondContact O-N 2.72Å
11	L	86.8	Confident	79.8	Confident	31 Å²	31	74.7 Å²	74.7	16%	0.162	39%	0.391	C	S	.	.	H	α-helix	trans	-60.4	-44.7	178	-77.1	169.6	0	0	0	112	I3 Q7 A8 T13 L14 Y15 T57 L63	I3-L11 HydrophobicContact CD1-CD1 4.29Å; I3-L11 HydrophobicContact CG2-CD1 4.35Å; Q7-L11 HydrophobicContact CG-CD1 4.24Å; Q7-L11 WeakPolarHBondContact O-CB 3.44Å; Q7-L11 VanDerWaalsContact O-CG 3.26Å; Q7-L11 WeakPolarHBondContact O-CG 3.42Å; Q7-L11 PolarHBondContact O-N 3.06Å; A8-L11 PolarHBondContact O-N 3.46Å; L11-T13 VanDerWaalsContact C-N 3.3Å; L11-T13 PolarHBondContact O-N 3.25Å; L11-L14 PolarHBondContact O-N 2.8Å; L11-L14 VanDerWaalsContact O-N 3.14Å; L11-Y15 HydrophobicContact CB-CE2 4.27Å; L11-Y15 HydrophobicContact CD2-CE2 4.43Å; L11-Y15 WeakPolarHBondContact O-CD2 3.44Å; L11-Y15 PolarHBondContact O-N 3.23Å; L11-T57 HydrophobicContact CB-CG2 3.84Å; L11-T57 HydrophobicContact CD1-CG2 4.26Å; L11-L63 HydrophobicContact CD2-CD1 3.92Å
12	I	88.4	Confident	82	Confident	53 Å²	53	64.9 Å²	64.9	27%	0.272	35%	0.346	S	S	.	.	H	α-helix	trans	-58.4	-43.7	176	-67.6	163.3	0	0	0	110.2	A8 K9 H10 Y15 F16 A53 I54 T57	A8-I12 WeakPolarHBondContact O-CB 3.37Å; A8-I12 WeakPolarHBondContact O-CD1 3.25Å; A8-I12 VanDerWaalsContact O-CG1 3.22Å; A8-I12 WeakPolarHBondContact O-CG1 3.35Å; A8-I12 PolarHBondContact O-N 3.28Å; K9-I12 PolarHBondContact O-N 2.79Å; H10-I12 PolarHBondContact O-N 3.5Å; I12-Y15 PolarHBondContact O-N 3.08Å; I12-F16 VanDerWaalsContact O-CB 3.28Å; I12-F16 WeakPolarHBondContact O-CB 3.46Å; I12-F16 PolarHBondContact O-N 3.23Å; I12-A53 HydrophobicContact CG2-CB 4.16Å; I12-I54 HydrophobicContact CD1-CG1 3.99Å; I12-I54 HydrophobicContact CG1-CG1 4.23Å; I12-I54 HydrophobicContact CG2-CG1 4.22Å; I12-T57 HydrophobicContact CG1-CG2 4.16Å; I12-T57 WeakPolarHBondContact CG1-OG1 3.39Å
13	T	85.9	Confident	83.6	Confident	71 Å²	71	60.6 Å²	60.6	44%	0.436	32%	0.315	S	S	.	.	H	α-helix	trans	-61.8	-42	175.2	-58.2	0	0	0	0	112.4	K9 H10 L11 F16 N17	K9-T13 PolarHBondContact O-N 2.72Å; K9-T13 PolarHBondContact O-OG1 3.02Å; H10-T13 WeakPolarHBondContact O-CB 3.24Å; H10-T13 PolarHBondContact O-N 3.05Å; L11-T13 VanDerWaalsContact C-N 3.3Å; L11-T13 PolarHBondContact O-N 3.25Å; T13-F16 PolarHBondContact O-N 3.47Å; T13-N17 WeakPolarHBondContact O-CB 3.39Å; T13-N17 PolarHBondContact O-N 3.34Å; T13-N17 PolarHBondContact O-ND2 3.26Å
14	L	88.9	Confident	84.6	Confident	29 Å²	29	69 Å²	69	15%	0.152	35%	0.345	C	S	.	.	H	α-helix	trans	-63.4	-47.3	176.3	-69.9	-179.4	0	0	0	112.2	H10 L11 N17 Q18 L63 T67 I70	H10-L14 WeakPolarHBondContact O-CG 3.43Å; H10-L14 PolarHBondContact O-N 2.72Å; L11-L14 PolarHBondContact O-N 2.8Å; L11-L14 VanDerWaalsContact O-N 3.14Å; L14-N17 PolarHBondContact O-N 3.07Å; L14-Q18 VanDerWaalsContact O-CB 3.32Å; L14-Q18 WeakPolarHBondContact O-CB 3.43Å; L14-Q18 PolarHBondContact O-N 2.99Å; L14-L63 HydrophobicContact CB-CD1 4.27Å; L14-L63 HydrophobicContact CB-CD2 3.98Å; L14-L63 HydrophobicContact CD1-CD1 4.03Å; L14-T67 HydrophobicContact CD1-CG2 4.1Å; L14-I70 HydrophobicContact CD2-CD1 4.42Å
15	Y	93.5	Very high	85.1	Confident	8 Å²	8	69.7 Å²	69.7	3%	0.031	34%	0.344	C	S	.	.	H	α-helix	trans	-65.1	-39.2	176.2	-69.1	-69.1	0	0	0	112.2	L11 I12 Q18 L19 L56 T57 A61 L63	L11-Y15 HydrophobicContact CB-CE2 4.27Å; L11-Y15 HydrophobicContact CD2-CE2 4.43Å; L11-Y15 WeakPolarHBondContact O-CD2 3.44Å; L11-Y15 PolarHBondContact O-N 3.23Å; I12-Y15 PolarHBondContact O-N 3.08Å; Y15-Q18 WeakPolarHBondContact O-CB 3.33Å; Y15-Q18 PolarHBondContact O-N 3.48Å; Y15-L19 WeakPolarHBondContact O-CB 3.26Å; Y15-L19 VanDerWaalsContact O-CG 3.25Å; Y15-L19 WeakPolarHBondContact O-CG 3.27Å; Y15-L19 PolarHBondContact O-N 2.94Å; Y15-L56 HydrophobicContact CD1-CB 3.63Å; Y15-L56 HydrophobicContact CD1-CD1 3.91Å; Y15-L56 HydrophobicContact CD1-CG 4.4Å; Y15-L56 HydrophobicContact CD2-CB 4.14Å; Y15-L56 HydrophobicContact CE1-CB 3.87Å; Y15-L56 HydrophobicContact CE2-CB 4.38Å; Y15-L56 HydrophobicContact CG-CB 3.78Å; Y15-L56 HydrophobicContact CG-CD1 4.34Å; Y15-L56 PolarHBondContact OH-O 3.37Å; Y15-T57 VanDerWaalsContact CD2-OG1 3.24Å; Y15-T57 WeakPolarHBondContact CD2-OG1 3.01Å; Y15-A61 HydrophobicContact CE1-CB 4.05Å; Y15-A61 PolarHBondContact OH-N 3.07Å; Y15-A61 PolarHBondContact OH-O 3.46Å; Y15-L63 HydrophobicContact CD1-CD2 3.62Å; Y15-L63 HydrophobicContact CD1-CG 4.17Å; Y15-L63 HydrophobicContact CE1-CD1 4.38Å; Y15-L63 HydrophobicContact CE1-CD2 3.68Å; Y15-L63 HydrophobicContact CE1-CG 3.68Å; Y15-L63 HydrophobicContact CE2-CD1 4.49Å; Y15-L63 HydrophobicContact CG-CD2 4.14Å
16	F	93.5	Very high	85.5	Confident	61 Å²	61	67.4 Å²	67.4	27%	0.268	34%	0.342	S	S	.	.	H	α-helix	trans	-60.3	-49.2	176.5	-177.9	-92.4	0	0	0	111.3	I12 T13 Q18 L19 I20 P46 A49 A50 A53	I12-F16 VanDerWaalsContact O-CB 3.28Å; I12-F16 WeakPolarHBondContact O-CB 3.46Å; I12-F16 PolarHBondContact O-N 3.23Å; T13-F16 PolarHBondContact O-N 3.47Å; F16-Q18 VanDerWaalsContact C-N 3.29Å; F16-Q18 PolarHBondContact O-N 3.28Å; F16-L19 PolarHBondContact O-N 3.46Å; F16-L19 VanDerWaalsContact O-N 3.16Å; F16-I20 HydrophobicContact CD1-CG1 4.37Å; F16-I20 HydrophobicContact CD2-CG1 4.48Å; F16-I20 HydrophobicContact CE1-CG1 4Å; F16-I20 HydrophobicContact CE2-CG1 4.14Å; F16-I20 HydrophobicContact CZ-CG1 3.88Å; F16-I20 PolarHBondContact O-N 3.11Å; F16-P46 WeakPolarHBondContact CE2-O 3.44Å; F16-P46 HydrophobicContact CZ-CB 4.42Å; F16-A49 HydrophobicContact CD2-CB 4.05Å; F16-A49 HydrophobicContact CE2-CB 3.98Å; F16-A50 HydrophobicContact CD2-CB 4.22Å; F16-A50 HydrophobicContact CE2-CB 4.19Å; F16-A53 HydrophobicContact CB-CB 4.06Å
17	N	87.8	Confident	86.5	Confident	69 Å²	69	70.7 Å²	70.7	37%	0.369	35%	0.354	S	S	.	.	H	α-helix	trans	-62.6	-36.6	175.8	-74.5	-27.1	0	0	0	111.9	T13 L14 H21 G22	T13-N17 WeakPolarHBondContact O-CB 3.39Å; T13-N17 PolarHBondContact O-N 3.34Å; T13-N17 PolarHBondContact O-ND2 3.26Å; L14-N17 PolarHBondContact O-N 3.07Å; N17-H21 WeakPolarHBondContact O-CA 3.38Å; N17-H21 WeakPolarHBondContact O-CB 3.5Å; N17-H21 PolarHBondContact O-N 3.37Å; N17-G22 PolarHBondContact O-N 3.45Å
18	Q	93.3	Very high	87.1	Confident	11 Å²	11	66.1 Å²	66.1	5%	0.051	33%	0.334	C	S	.	.	H	α-helix	trans	-65.7	-37.9	174.6	-166	-177.3	-99.3	0	0	112.6	L14 Y15 F16 G22 N32 C33 A34 D62 C64	L14-Q18 VanDerWaalsContact O-CB 3.32Å; L14-Q18 WeakPolarHBondContact O-CB 3.43Å; L14-Q18 PolarHBondContact O-N 2.99Å; Y15-Q18 WeakPolarHBondContact O-CB 3.33Å; Y15-Q18 PolarHBondContact O-N 3.48Å; F16-Q18 VanDerWaalsContact C-N 3.29Å; F16-Q18 PolarHBondContact O-N 3.28Å; Q18-G22 VanDerWaalsContact O-CA 3.29Å; Q18-G22 WeakPolarHBondContact O-CA 3.46Å; Q18-G22 PolarHBondContact O-N 3.4Å; Q18-N32 WeakPolarHBondContact CG-O 3.46Å; Q18-N32 PolarHBondContact NE2-O 2.58Å; Q18-C33 HydrophobicContact CG-CB 3.74Å; Q18-C33 WeakPolarHBondContact O-CA 3.46Å; Q18-A34 PolarHBondContact O-N 3.48Å; Q18-D62 PolarHBondContact NE2-O 3.02Å; Q18-C64 PolarHBondContact OE1-SG 2.86Å
19	L	93.7	Very high	87.6	Confident	2 Å²	2	71.8 Å²	71.8	1%	0.01	36%	0.357	C	S	.	.	H	α-helix	trans	-75.6	-31.2	178.4	-72.6	170.4	0	0	0	113.7	Y15 F16 N32 F39 A49 L52 A53 L56	Y15-L19 WeakPolarHBondContact O-CB 3.26Å; Y15-L19 VanDerWaalsContact O-CG 3.25Å; Y15-L19 WeakPolarHBondContact O-CG 3.27Å; Y15-L19 PolarHBondContact O-N 2.94Å; F16-L19 PolarHBondContact O-N 3.46Å; F16-L19 VanDerWaalsContact O-N 3.16Å; L19-N32 HydrophobicContact CD2-CB 4.28Å; L19-F39 HydrophobicContact CD2-CE2 4.04Å; L19-F39 HydrophobicContact CD2-CZ 4.49Å; L19-F39 VanDerWaalsContact O-CZ 3.32Å; L19-F39 WeakPolarHBondContact O-CZ 3.33Å; L19-A49 HydrophobicContact CB-CB 4.18Å; L19-A49 HydrophobicContact CD1-CB 4.37Å; L19-A49 WeakPolarHBondContact CD1-O 3.45Å; L19-L52 HydrophobicContact CD1-CB 3.92Å; L19-L52 HydrophobicContact CD1-CD2 3.78Å; L19-L52 HydrophobicContact CD1-CG 3.83Å; L19-L52 HydrophobicContact CD2-CD2 3.65Å; L19-L52 HydrophobicContact CD2-CG 4.44Å; L19-L52 HydrophobicContact CG-CD2 4.39Å; L19-A53 HydrophobicContact CD1-CB 4.32Å; L19-L56 HydrophobicContact CD1-CD1 4Å; L19-L56 HydrophobicContact CD2-CD1 4.22Å; L19-L56 HydrophobicContact CG-CD1 4.26Å
20	I	91.5	Very high	88.1	Confident	54 Å²	54	67 Å²	67	28%	0.277	34%	0.337	S	S	.	.	H	α-helix	trans	-97.6	-44.5	-176.5	-65.1	-61.9	0	0	0	112.9	F16 I44 A49	F16-I20 HydrophobicContact CD1-CG1 4.37Å; F16-I20 HydrophobicContact CD2-CG1 4.48Å; F16-I20 HydrophobicContact CE1-CG1 4Å; F16-I20 HydrophobicContact CE2-CG1 4.14Å; F16-I20 HydrophobicContact CZ-CG1 3.88Å; F16-I20 PolarHBondContact O-N 3.11Å; I20-I44 HydrophobicContact CD1-CG2 4.46Å; I20-A49 HydrophobicContact CD1-CB 3.52Å; I20-A49 HydrophobicContact CG1-CB 3.82Å
21	H	88.3	Confident	88.8	Confident	122 Å²	122	69.9 Å²	69.9	57%	0.565	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-32.2	-175.6	-57	-60.8	0	0	0	112.9	N17	N17-H21 WeakPolarHBondContact O-CA 3.38Å; N17-H21 WeakPolarHBondContact O-CB 3.5Å; N17-H21 PolarHBondContact O-N 3.37Å
22	G	89	Confident	89.1	Confident	13 Å²	13	69.9 Å²	69.9	13%	0.134	34%	0.344	C	S	.	.			trans	72.1	176.7	-175	0	0	0	0	0	113.9	N17 Q18 R24 C33 S35	N17-G22 PolarHBondContact O-N 3.45Å; Q18-G22 VanDerWaalsContact O-CA 3.29Å; Q18-G22 WeakPolarHBondContact O-CA 3.46Å; Q18-G22 PolarHBondContact O-N 3.4Å; G22-R24 VanDerWaalsContact C-N 3.32Å; G22-R24 PolarHBondContact O-N 3.48Å; G22-C33 WeakPolarHBondContact CA-SG 3.41Å; G22-S35 WeakPolarHBondContact CA-OG 3.48Å
23	C	89.1	Confident	89.3	Confident	28 Å²	28	67.3 Å²	67.3	19%	0.189	33%	0.331	C	S	.	.			trans	-85.3	1.8	-174	62.6	0	0	0	0	114.7	N25 C33 S35 C64 L65	C23-N25 PolarHBondContact O-N 2.88Å; C23-C33 PolarHBondContact N-SG 3.23Å; C23-S35 PolarHBondContact N-OG 3.26Å; C23-C64 HydrophobicContact CB-CB 3.49Å; C23-C64 VanDerWaalsContact CB-CB 3.49Å; C23-L65 HydrophobicContact CB-CG 4.48Å
24	R	84.2	Confident	89.5	Confident	220 Å²	220	65.9 Å²	65.9	83%	0.83	33%	0.326	S	S	*	.			trans	61.6	-2	-176.5	-53.3	-178.7	-178.5	179.6	1	115.9	G22 V26 S35	G22-R24 VanDerWaalsContact C-N 3.32Å; G22-R24 PolarHBondContact O-N 3.48Å; R24-V26 PolarHBondContact O-N 2.92Å; R24-S35 PolarHBondContact N-OG 2.67Å
25	N	83.6	Confident	89.6	Confident	90 Å²	90	66 Å²	66	48%	0.481	33%	0.329	S	S	.	.			trans	-73.1	122.9	169.6	-176.4	-5.3	0	0	0	110.3	C23 D27 C28	C23-N25 PolarHBondContact O-N 2.88Å; N25-D27 VanDerWaalsContact C-N 3.34Å; N25-D27 PolarHBondContact OD1-N 2.86Å; N25-C28 HydrophobicContact CB-CB 4.46Å; N25-C28 VanDerWaalsContact O-CB 3.28Å; N25-C28 WeakPolarHBondContact O-CB 3.41Å; N25-C28 PolarHBondContact O-N 2.96Å
26	V	80.5	Confident	89.4	Confident	129 Å²	129	66.1 Å²	66.1	78%	0.782	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-29.8	-176.5	-155	0	0	0	0	112.5	R24 C28	R24-V26 PolarHBondContact O-N 2.92Å; V26-C28 VanDerWaalsContact C-N 3.29Å; V26-C28 PolarHBondContact O-N 3.28Å
27	D	86.6	Confident	89.1	Confident	134 Å²	134	67.9 Å²	67.9	72%	0.717	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	14.8	-179.6	-67.3	-52.4	0	0	0	112.9	N25 Q29	N25-D27 VanDerWaalsContact C-N 3.34Å; N25-D27 PolarHBondContact OD1-N 2.86Å; D27-Q29 PolarHBondContact O-N 3.46Å
28	C	86.6	Confident	89.1	Confident	12 Å²	12	69 Å²	69	8%	0.081	36%	0.363	C	S	.	.			trans	-61	125.3	-176.1	-175.2	0	0	0	0	112.4	N25 V26 N30 S36 C64	N25-C28 HydrophobicContact CB-CB 4.46Å; N25-C28 VanDerWaalsContact O-CB 3.28Å; N25-C28 WeakPolarHBondContact O-CB 3.41Å; N25-C28 PolarHBondContact O-N 2.96Å; V26-C28 VanDerWaalsContact C-N 3.29Å; V26-C28 PolarHBondContact O-N 3.28Å; C28-N30 PolarHBondContact SG-N 3.14Å; C28-S36 WeakPolarHBondContact O-CA 3.1Å; C28-S36 WeakPolarHBondContact O-CB 3.45Å; C28-S36 PolarHBondContact O-OG 3.3Å; C28-S36 VanDerWaalsContact O-OG 3.06Å; C28-C64 VanDerWaalsContact SG-SG 3.62Å
29	Q	89.9	Confident	89	Confident	141 Å²	141	70.4 Å²	70.4	66%	0.659	37%	0.369	S	S	*	.			trans	-93.6	-13	177.6	-63.9	-64.4	-38.7	0	0	113.4	D27 R31	D27-Q29 PolarHBondContact O-N 3.46Å; Q29-R31 PolarHBondContact O-N 2.75Å
30	N	89.7	Confident	88.9	Confident	27 Å²	27	72.6 Å²	72.6	14%	0.144	39%	0.387	C	S	.	.			trans	-69.1	121.1	-171.2	-172.8	-27	0	0	0	111.2	C28 N32 C33 S36 D62 C64	C28-N30 PolarHBondContact SG-N 3.14Å; N30-N32 PolarHBondContact O-N 3.11Å; N30-N32 PolarHBondContact OD1-N 3.13Å; N30-C33 HydrophobicContact CB-CB 4.01Å; N30-C33 PolarHBondContact O-N 3.01Å; N30-S36 WeakPolarHBondContact O-CB 3.18Å; N30-S36 PolarHBondContact O-OG 3.49Å; N30-S36 VanDerWaalsContact O-OG 3.08Å; N30-D62 PolarHBondContact ND2-O 2.96Å; N30-C64 WeakPolarHBondContact CB-SG 3.27Å; N30-C64 PolarHBondContact ND2-SG 2.9Å
31	R	93.8	Very high	88.8	Confident	163 Å²	163	72.5 Å²	72.5	62%	0.615	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-16.3	-176.2	-60.2	-174.3	67.1	-161.2	-2.9	113.7	Q29 N38 F39 A40	Q29-R31 PolarHBondContact O-N 2.75Å; R31-N38 HydrophobicContact CG-CB 4.44Å; R31-F39 WeakPolarHBondContact O-CD2 3.43Å; R31-A40 HydrophobicContact CB-CB 4.34Å; R31-A40 PolarHBondContact O-N 2.67Å
32	N	93.3	Very high	88.6	Confident	30 Å²	30	71.7 Å²	71.7	16%	0.16	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	25.1	176.9	-58.9	-41.5	0	0	0	112.3	Q18 L19 N30 H41 L56	Q18-N32 WeakPolarHBondContact CG-O 3.46Å; Q18-N32 PolarHBondContact NE2-O 2.58Å; L19-N32 HydrophobicContact CD2-CB 4.28Å; N30-N32 PolarHBondContact O-N 3.11Å; N30-N32 PolarHBondContact OD1-N 3.13Å; N32-H41 PolarHBondContact OD1-NE2 3.28Å; N32-L56 HydrophobicContact CB-CD1 3.88Å; N32-L56 WeakPolarHBondContact ND2-CD2 3.44Å
33	C	93.3	Very high	88.5	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	43%	0.425	C	S	.	.			trans	-125.6	125.7	179.2	-174.1	0	0	0	0	112.8	Q18 G22 C23 N30 S35 S36 F39	Q18-C33 HydrophobicContact CG-CB 3.74Å; Q18-C33 WeakPolarHBondContact O-CA 3.46Å; G22-C33 WeakPolarHBondContact CA-SG 3.41Å; C23-C33 PolarHBondContact N-SG 3.23Å; N30-C33 HydrophobicContact CB-CB 4.01Å; N30-C33 PolarHBondContact O-N 3.01Å; C33-S35 PolarHBondContact O-N 2.67Å; C33-S35 VanDerWaalsContact O-N 3.12Å; C33-S36 WeakPolarHBondContact O-CB 3.31Å; C33-S36 PolarHBondContact O-N 3.12Å; C33-F39 WeakPolarHBondContact O-CB 3.33Å; C33-F39 WeakPolarHBondContact O-CD2 3.49Å; C33-F39 WeakPolarHBondContact O-CG 3.44Å
34	A	90.5	Very high	88.6	Confident	40 Å²	40	75 Å²	75	33%	0.331	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.3	-178.8	0	0	0	0	0	114.4	Q18 F39	Q18-A34 PolarHBondContact O-N 3.48Å; A34-F39 HydrophobicContact CB-CE1 4.36Å; A34-F39 HydrophobicContact CB-CZ 4.28Å
35	S	89.9	Confident	88.9	Confident	32 Å²	32	67.7 Å²	67.7	22%	0.224	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-5	173.5	-46.4	0	0	0	0	113.7	G22 C23 R24 C33	G22-S35 WeakPolarHBondContact CA-OG 3.48Å; C23-S35 PolarHBondContact N-OG 3.26Å; R24-S35 PolarHBondContact N-OG 2.67Å; C33-S35 PolarHBondContact O-N 2.67Å; C33-S35 VanDerWaalsContact O-N 3.12Å
36	S	89.4	Confident	89.2	Confident	10 Å²	10	67 Å²	67	7%	0.07	41%	0.405	C	S	.	.			trans	-83.7	133	-179.4	175	0	0	0	0	111.9	C28 N30 C33 N38 F39	C28-S36 WeakPolarHBondContact O-CA 3.1Å; C28-S36 WeakPolarHBondContact O-CB 3.45Å; C28-S36 PolarHBondContact O-OG 3.3Å; C28-S36 VanDerWaalsContact O-OG 3.06Å; N30-S36 WeakPolarHBondContact O-CB 3.18Å; N30-S36 PolarHBondContact O-OG 3.49Å; N30-S36 VanDerWaalsContact O-OG 3.08Å; C33-S36 WeakPolarHBondContact O-CB 3.31Å; C33-S36 PolarHBondContact O-N 3.12Å; S36-N38 PolarHBondContact O-N 3.49Å; S36-N38 VanDerWaalsContact O-N 3.1Å; S36-N38 PolarHBondContact OG-N 3.39Å; S36-F39 VanDerWaalsContact O-CB 3.31Å; S36-F39 WeakPolarHBondContact O-CB 3.1Å; S36-F39 PolarHBondContact O-N 3.38Å
37	A	87.1	Confident	89.5	Confident	99 Å²	99	67.5 Å²	67.5	82%	0.818	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-16.9	169	0	0	0	0	0	112.9
38	N	87.5	Confident	89.8	Confident	91 Å²	91	66.3 Å²	66.3	49%	0.487	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	21	177.3	-67.2	-47.2	0	0	0	112.9	R31 S36 A40	R31-N38 HydrophobicContact CG-CB 4.44Å; S36-N38 PolarHBondContact O-N 3.49Å; S36-N38 VanDerWaalsContact O-N 3.1Å; S36-N38 PolarHBondContact OG-N 3.39Å; N38-A40 PolarHBondContact O-N 3.33Å
39	F	92.4	Very high	90.1	Very high	42 Å²	42	65.8 Å²	65.8	18%	0.184	39%	0.389	C	S	.	.			trans	-57.2	119.7	179.7	-176.7	-129.4	0	0	0	111.8	L19 R31 C33 A34 S36 H41 I44	L19-F39 HydrophobicContact CD2-CE2 4.04Å; L19-F39 HydrophobicContact CD2-CZ 4.49Å; L19-F39 VanDerWaalsContact O-CZ 3.32Å; L19-F39 WeakPolarHBondContact O-CZ 3.33Å; R31-F39 WeakPolarHBondContact O-CD2 3.43Å; C33-F39 WeakPolarHBondContact O-CB 3.33Å; C33-F39 WeakPolarHBondContact O-CD2 3.49Å; C33-F39 WeakPolarHBondContact O-CG 3.44Å; A34-F39 HydrophobicContact CB-CE1 4.36Å; A34-F39 HydrophobicContact CB-CZ 4.28Å; S36-F39 VanDerWaalsContact O-CB 3.31Å; S36-F39 WeakPolarHBondContact O-CB 3.1Å; S36-F39 PolarHBondContact O-N 3.38Å; F39-H41 VanDerWaalsContact C-N 3.34Å; F39-H41 VanDerWaalsContact CE1-C 3.45Å; F39-H41 HydrophobicContact CE1-CB 4.15Å; F39-H41 VanDerWaalsContact CE1-O 3.27Å; F39-H41 WeakPolarHBondContact CE1-O 3.33Å; F39-H41 HydrophobicContact CE2-CB 4.04Å; F39-H41 AromaticContact CE2-CD2 3.89Å; F39-H41 HydrophobicContact CZ-CB 3.73Å; F39-H41 PolarHBondContact O-N 3.32Å; F39-I44 HydrophobicContact CZ-CG2 4.2Å
40	A	90.1	Very high	90.1	Very high	47 Å²	47	60.9 Å²	60.9	39%	0.388	37%	0.373	S	S	.	.	S	Bend	trans	-80.9	-13.1	-171.4	0	0	0	0	0	114.2	R31 N38	R31-A40 HydrophobicContact CB-CB 4.34Å; R31-A40 PolarHBondContact O-N 2.67Å; N38-A40 PolarHBondContact O-N 3.33Å
41	H	90.2	Very high	90.1	Very high	52 Å²	52	62.5 Å²	62.5	24%	0.241	39%	0.39	C	S	.	.			trans	-118.6	40.1	-166.9	-45.2	-72.9	0	0	0	112.3	N32 F39 G43 I44	N32-H41 PolarHBondContact OD1-NE2 3.28Å; F39-H41 VanDerWaalsContact C-N 3.34Å; F39-H41 VanDerWaalsContact CE1-C 3.45Å; F39-H41 HydrophobicContact CE1-CB 4.15Å; F39-H41 VanDerWaalsContact CE1-O 3.27Å; F39-H41 WeakPolarHBondContact CE1-O 3.33Å; F39-H41 HydrophobicContact CE2-CB 4.04Å; F39-H41 AromaticContact CE2-CD2 3.89Å; F39-H41 HydrophobicContact CZ-CB 3.73Å; F39-H41 PolarHBondContact O-N 3.32Å; H41-G43 PolarHBondContact O-N 2.89Å; H41-G43 VanDerWaalsContact O-N 3.16Å; H41-I44 HydrophobicContact CB-CB 4.1Å; H41-I44 HydrophobicContact CB-CD1 4.04Å; H41-I44 HydrophobicContact CB-CG2 4.34Å; H41-I44 VanDerWaalsContact O-CB 3.29Å; H41-I44 WeakPolarHBondContact O-CB 3.46Å; H41-I44 WeakPolarHBondContact O-CG2 3.38Å; H41-I44 PolarHBondContact O-N 2.74Å
42	S	84.3	Confident	90.1	Very high	105 Å²	105	56 Å²	56	73%	0.734	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	117.7	179.6	58.7	0	0	0	0	111.9
43	G	86.7	Confident	90.1	Very high	76 Å²	76	54.5 Å²	54.5	78%	0.784	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.6	14.1	-177.2	0	0	0	0	0	115.1	H41 T45	H41-G43 PolarHBondContact O-N 2.89Å; H41-G43 VanDerWaalsContact O-N 3.16Å; G43-T45 PolarHBondContact O-N 2.92Å
44	I	91.3	Very high	89.9	Confident	34 Å²	34	58.7 Å²	58.7	17%	0.174	38%	0.381	C	S	.	.			trans	-57.9	128.9	173.5	-164	168.7	0	0	0	111.7	I20 F39 H41 Q48 A49 L52	I20-I44 HydrophobicContact CD1-CG2 4.46Å; F39-I44 HydrophobicContact CZ-CG2 4.2Å; H41-I44 HydrophobicContact CB-CB 4.1Å; H41-I44 HydrophobicContact CB-CD1 4.04Å; H41-I44 HydrophobicContact CB-CG2 4.34Å; H41-I44 VanDerWaalsContact O-CB 3.29Å; H41-I44 WeakPolarHBondContact O-CB 3.46Å; H41-I44 WeakPolarHBondContact O-CG2 3.38Å; H41-I44 PolarHBondContact O-N 2.74Å; I44-Q48 HydrophobicContact CD1-CB 4.18Å; I44-Q48 HydrophobicContact CG1-CB 3.55Å; I44-A49 HydrophobicContact CD1-CB 3.92Å; I44-A49 HydrophobicContact CG1-CB 4.12Å; I44-A49 HydrophobicContact CG2-CB 4.5Å; I44-L52 HydrophobicContact CD1-CB 4.33Å; I44-L52 HydrophobicContact CD1-CD2 3.71Å
45	T	90.3	Very high	89.9	Confident	68 Å²	68	62.2 Å²	62.2	42%	0.417	39%	0.391	S	S	.	.			trans	-79.4	157.2	173	60.7	0	0	0	0	110.9	G43 N47 Q48 A49	G43-T45 PolarHBondContact O-N 2.92Å; T45-N47 VanDerWaalsContact C-N 3.28Å; T45-N47 PolarHBondContact O-N 3.48Å; T45-Q48 WeakPolarHBondContact O-CB 3.4Å; T45-Q48 PolarHBondContact O-N 2.73Å; T45-Q48 VanDerWaalsContact OG1-CG 3.31Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.42Å; T45-Q48 PolarHBondContact OG1-OE1 3.12Å; T45-A49 PolarHBondContact O-N 3.1Å
46	P	89.1	Confident	90.1	Very high	76 Å²	76	61.3 Å²	61.3	49%	0.494	38%	0.383	S	S	.	.	H	α-helix	trans	-51.9	-42.7	177.7	-29.8	36.8	0	0	0	113.8	F16 Q48 A49 A50	F16-P46 WeakPolarHBondContact CE2-O 3.44Å; F16-P46 HydrophobicContact CZ-CB 4.42Å; P46-Q48 VanDerWaalsContact C-N 3.33Å; P46-Q48 PolarHBondContact O-N 2.89Å; P46-A49 PolarHBondContact O-N 2.7Å; P46-A49 VanDerWaalsContact O-N 3.16Å; P46-A50 PolarHBondContact O-N 3.1Å
47	N	87.1	Confident	90	Very high	139 Å²	139	61.2 Å²	61.2	74%	0.743	38%	0.383	S	S	*	.	H	α-helix	trans	-65.9	-34.9	179.3	-64.3	8.2	0	0	0	112.5	T45 A51	T45-N47 VanDerWaalsContact C-N 3.28Å; T45-N47 PolarHBondContact O-N 3.48Å; N47-A51 PolarHBondContact O-N 3.44Å
48	Q	92.3	Very high	90	Very high	109 Å²	109	61.8 Å²	61.8	51%	0.509	38%	0.376	S	S	.	.	H	α-helix	trans	-72.5	-36.6	173.2	-70.4	164	-37.2	0	0	111.5	I44 T45 P46 A50 A51 L52	I44-Q48 HydrophobicContact CD1-CB 4.18Å; I44-Q48 HydrophobicContact CG1-CB 3.55Å; T45-Q48 WeakPolarHBondContact O-CB 3.4Å; T45-Q48 PolarHBondContact O-N 2.73Å; T45-Q48 VanDerWaalsContact OG1-CG 3.31Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.42Å; T45-Q48 PolarHBondContact OG1-OE1 3.12Å; P46-Q48 VanDerWaalsContact C-N 3.33Å; P46-Q48 PolarHBondContact O-N 2.89Å; Q48-A50 VanDerWaalsContact C-N 3.35Å; Q48-A51 PolarHBondContact O-N 3.21Å; Q48-L52 VanDerWaalsContact O-CB 3.27Å; Q48-L52 WeakPolarHBondContact O-CB 3.36Å; Q48-L52 PolarHBondContact O-N 3.16Å
49	A	93	Very high	90.1	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-67.1	-35.2	175.9	0	0	0	0	0	112.1	F16 L19 I20 I44 T45 P46 A53	F16-A49 HydrophobicContact CD2-CB 4.05Å; F16-A49 HydrophobicContact CE2-CB 3.98Å; L19-A49 HydrophobicContact CB-CB 4.18Å; L19-A49 HydrophobicContact CD1-CB 4.37Å; L19-A49 WeakPolarHBondContact CD1-O 3.45Å; I20-A49 HydrophobicContact CD1-CB 3.52Å; I20-A49 HydrophobicContact CG1-CB 3.82Å; I44-A49 HydrophobicContact CD1-CB 3.92Å; I44-A49 HydrophobicContact CG1-CB 4.12Å; I44-A49 HydrophobicContact CG2-CB 4.5Å; T45-A49 PolarHBondContact O-N 3.1Å; P46-A49 PolarHBondContact O-N 2.7Å; P46-A49 VanDerWaalsContact O-N 3.16Å; A49-A53 WeakPolarHBondContact O-CB 3.32Å; A49-A53 PolarHBondContact O-N 3.07Å
50	A	89.8	Confident	89.7	Confident	38 Å²	38	68.2 Å²	68.2	31%	0.314	40%	0.399	S	S	.	.	H	α-helix	trans	-65	-48.3	172.5	0	0	0	0	0	111.9	F16 P46 Q48 L52 A53 I54	F16-A50 HydrophobicContact CD2-CB 4.22Å; F16-A50 HydrophobicContact CE2-CB 4.19Å; P46-A50 PolarHBondContact O-N 3.1Å; Q48-A50 VanDerWaalsContact C-N 3.35Å; A50-L52 VanDerWaalsContact C-N 3.34Å; A50-L52 PolarHBondContact O-N 3.5Å; A50-A53 PolarHBondContact O-N 2.94Å; A50-I54 WeakPolarHBondContact O-CG1 3.32Å; A50-I54 PolarHBondContact O-N 3.36Å; A50-I54 VanDerWaalsContact O-N 3.14Å
51	A	91.2	Very high	89.6	Confident	62 Å²	62	67.3 Å²	67.3	51%	0.512	39%	0.392	S	S	.	.	H	α-helix	trans	-59.9	-43.8	175.7	0	0	0	0	0	112.2	N47 Q48 I54 E55	N47-A51 PolarHBondContact O-N 3.44Å; Q48-A51 PolarHBondContact O-N 3.21Å; A51-I54 PolarHBondContact O-N 3.48Å; A51-E55 PolarHBondContact O-N 3.01Å; A51-E55 VanDerWaalsContact O-N 3.14Å
52	L	93.2	Very high	89.4	Confident	25 Å²	25	71 Å²	71	13%	0.131	41%	0.414	C	S	.	.	H	α-helix	trans	-69.6	-35.5	177.5	-176.6	63.4	0	0	0	112.3	L19 I44 Q48 A50 I54 E55 L56	L19-L52 HydrophobicContact CD1-CB 3.92Å; L19-L52 HydrophobicContact CD1-CD2 3.78Å; L19-L52 HydrophobicContact CD1-CG 3.83Å; L19-L52 HydrophobicContact CD2-CD2 3.65Å; L19-L52 HydrophobicContact CD2-CG 4.44Å; L19-L52 HydrophobicContact CG-CD2 4.39Å; I44-L52 HydrophobicContact CD1-CB 4.33Å; I44-L52 HydrophobicContact CD1-CD2 3.71Å; Q48-L52 VanDerWaalsContact O-CB 3.27Å; Q48-L52 WeakPolarHBondContact O-CB 3.36Å; Q48-L52 PolarHBondContact O-N 3.16Å; A50-L52 VanDerWaalsContact C-N 3.34Å; A50-L52 PolarHBondContact O-N 3.5Å; L52-I54 VanDerWaalsContact C-N 3.3Å; L52-I54 PolarHBondContact O-N 2.77Å; L52-E55 PolarHBondContact O-N 3.12Å; L52-E55 VanDerWaalsContact O-N 3.16Å; L52-L56 HydrophobicContact CD1-CG 4.3Å; L52-L56 HydrophobicContact CG-CD1 4.15Å; L52-L56 HydrophobicContact CG-CG 4.23Å; L52-L56 WeakPolarHBondContact O-CB 3.27Å; L52-L56 VanDerWaalsContact O-CG 3.25Å; L52-L56 WeakPolarHBondContact O-CG 3.2Å; L52-L56 PolarHBondContact O-N 3.19Å
53	A	93	Very high	89.6	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-62.9	-36.2	175.2	0	0	0	0	0	112.4	I12 F16 L19 A49 A50 T57	I12-A53 HydrophobicContact CG2-CB 4.16Å; F16-A53 HydrophobicContact CB-CB 4.06Å; L19-A53 HydrophobicContact CD1-CB 4.32Å; A49-A53 WeakPolarHBondContact O-CB 3.32Å; A49-A53 PolarHBondContact O-N 3.07Å; A50-A53 PolarHBondContact O-N 2.94Å; A53-T57 WeakPolarHBondContact O-CB 3.41Å; A53-T57 PolarHBondContact O-N 2.94Å; A53-T57 PolarHBondContact O-OG1 3.01Å
54	I	89.3	Confident	89.5	Confident	88 Å²	88	66.7 Å²	66.7	45%	0.451	37%	0.367	S	S	.	.	H	α-helix	trans	-64.4	-47.5	170.7	-65.8	159.6	0	0	0	110.2	I12 A50 A51 L52 L56 T57 V58	I12-I54 HydrophobicContact CD1-CG1 3.99Å; I12-I54 HydrophobicContact CG1-CG1 4.23Å; I12-I54 HydrophobicContact CG2-CG1 4.22Å; A50-I54 WeakPolarHBondContact O-CG1 3.32Å; A50-I54 PolarHBondContact O-N 3.36Å; A50-I54 VanDerWaalsContact O-N 3.14Å; A51-I54 PolarHBondContact O-N 3.48Å; L52-I54 VanDerWaalsContact C-N 3.3Å; L52-I54 PolarHBondContact O-N 2.77Å; I54-L56 PolarHBondContact O-N 3.27Å; I54-T57 WeakPolarHBondContact O-CB 3.36Å; I54-T57 PolarHBondContact O-N 3.19Å; I54-V58 WeakPolarHBondContact O-CG2 3.39Å; I54-V58 PolarHBondContact O-N 2.92Å
55	E	91.2	Very high	88.5	Confident	113 Å²	113	69.2 Å²	69.2	53%	0.528	38%	0.38	S	S	.	.	H	α-helix	trans	-61.8	-40.1	177.7	-176.6	173.6	-169.2	0	0	112.7	A51 L52 T57 V58 N59	A51-E55 PolarHBondContact O-N 3.01Å; A51-E55 VanDerWaalsContact O-N 3.14Å; L52-E55 PolarHBondContact O-N 3.12Å; L52-E55 VanDerWaalsContact O-N 3.16Å; E55-T57 VanDerWaalsContact C-N 3.35Å; E55-V58 PolarHBondContact O-N 3.23Å; E55-N59 WeakPolarHBondContact CG-ND2 3.37Å; E55-N59 WeakPolarHBondContact O-CB 3.5Å; E55-N59 PolarHBondContact O-N 3.42Å; E55-N59 PolarHBondContact O-ND2 3.03Å
56	L	92.6	Very high	86.9	Confident	13 Å²	13	69.3 Å²	69.3	7%	0.068	38%	0.383	C	S	.	.	H	α-helix	trans	-68.4	-32.9	175.4	-66.7	175.8	0	0	0	112.3	Y15 L19 N32 L52 I54 R60 A61	Y15-L56 HydrophobicContact CD1-CB 3.63Å; Y15-L56 HydrophobicContact CD1-CD1 3.91Å; Y15-L56 HydrophobicContact CD1-CG 4.4Å; Y15-L56 HydrophobicContact CD2-CB 4.14Å; Y15-L56 HydrophobicContact CE1-CB 3.87Å; Y15-L56 HydrophobicContact CE2-CB 4.38Å; Y15-L56 HydrophobicContact CG-CB 3.78Å; Y15-L56 HydrophobicContact CG-CD1 4.34Å; Y15-L56 PolarHBondContact OH-O 3.37Å; L19-L56 HydrophobicContact CD1-CD1 4Å; L19-L56 HydrophobicContact CD2-CD1 4.22Å; L19-L56 HydrophobicContact CG-CD1 4.26Å; N32-L56 HydrophobicContact CB-CD1 3.88Å; N32-L56 WeakPolarHBondContact ND2-CD2 3.44Å; L52-L56 HydrophobicContact CD1-CG 4.3Å; L52-L56 HydrophobicContact CG-CD1 4.15Å; L52-L56 HydrophobicContact CG-CG 4.23Å; L52-L56 WeakPolarHBondContact O-CB 3.27Å; L52-L56 VanDerWaalsContact O-CG 3.25Å; L52-L56 WeakPolarHBondContact O-CG 3.2Å; L52-L56 PolarHBondContact O-N 3.19Å; I54-L56 PolarHBondContact O-N 3.27Å; L56-R60 WeakPolarHBondContact O-CA 3.5Å; L56-R60 PolarHBondContact O-N 2.89Å; L56-A61 HydrophobicContact CB-CB 4.2Å; L56-A61 HydrophobicContact CD2-CB 3.64Å; L56-A61 HydrophobicContact CG-CB 4.46Å; L56-A61 PolarHBondContact O-N 3.4Å; L56-A61 VanDerWaalsContact O-N 3.16Å
57	T	88.9	Confident	85	Confident	9 Å²	9	69.1 Å²	69.1	6%	0.055	38%	0.381	C	S	.	.	H	α-helix	trans	-66.2	-46.6	172.8	-57.5	0	0	0	0	111.3	I3 L11 I12 Y15 A53 I54 E55 N59 R60	I3-T57 HydrophobicContact CD1-CG2 4.43Å; L11-T57 HydrophobicContact CB-CG2 3.84Å; L11-T57 HydrophobicContact CD1-CG2 4.26Å; I12-T57 HydrophobicContact CG1-CG2 4.16Å; I12-T57 WeakPolarHBondContact CG1-OG1 3.39Å; Y15-T57 VanDerWaalsContact CD2-OG1 3.24Å; Y15-T57 WeakPolarHBondContact CD2-OG1 3.01Å; A53-T57 WeakPolarHBondContact O-CB 3.41Å; A53-T57 PolarHBondContact O-N 2.94Å; A53-T57 PolarHBondContact O-OG1 3.01Å; I54-T57 WeakPolarHBondContact O-CB 3.36Å; I54-T57 PolarHBondContact O-N 3.19Å; E55-T57 VanDerWaalsContact C-N 3.35Å; T57-N59 VanDerWaalsContact C-N 3.34Å; T57-N59 PolarHBondContact O-N 3.14Å; T57-R60 PolarHBondContact O-N 3.21Å
58	V	86.9	Confident	82.7	Confident	111 Å²	111	67.7 Å²	67.7	67%	0.673	37%	0.374	S	S	*	.	H	α-helix	trans	-61.7	-41.9	176.2	171	0	0	0	0	111.3	I54 E55	I54-V58 WeakPolarHBondContact O-CG2 3.39Å; I54-V58 PolarHBondContact O-N 2.92Å; E55-V58 PolarHBondContact O-N 3.23Å
59	N	88.4	Confident	80.1	Confident	104 Å²	104	64.8 Å²	64.8	56%	0.556	37%	0.368	S	S	*	.	H	α-helix	trans	-82.2	-6.8	-179.2	-72	-48.1	0	0	0	114.6	E55 T57 A61	E55-N59 WeakPolarHBondContact CG-ND2 3.37Å; E55-N59 WeakPolarHBondContact O-CB 3.5Å; E55-N59 PolarHBondContact O-N 3.42Å; E55-N59 PolarHBondContact O-ND2 3.03Å; T57-N59 VanDerWaalsContact C-N 3.34Å; T57-N59 PolarHBondContact O-N 3.14Å; N59-A61 PolarHBondContact O-N 2.93Å
60	R	85.4	Confident	77.5	Confident	163 Å²	163	69.1 Å²	69.1	62%	0.615	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	55.6	-175	-62	-178	172.8	-165.9	-5.9	112.9	L56 T57	L56-R60 WeakPolarHBondContact O-CA 3.5Å; L56-R60 PolarHBondContact O-N 2.89Å; T57-R60 PolarHBondContact O-N 3.21Å
61	A	87	Confident	75	Confident	28 Å²	28	75.1 Å²	75.1	23%	0.231	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-69.6	168.6	178.5	0	0	0	0	0	113	Y15 L56 N59 L63	Y15-A61 HydrophobicContact CE1-CB 4.05Å; Y15-A61 PolarHBondContact OH-N 3.07Å; Y15-A61 PolarHBondContact OH-O 3.46Å; L56-A61 HydrophobicContact CB-CB 4.2Å; L56-A61 HydrophobicContact CD2-CB 3.64Å; L56-A61 HydrophobicContact CG-CB 4.46Å; L56-A61 PolarHBondContact O-N 3.4Å; L56-A61 VanDerWaalsContact O-N 3.16Å; N59-A61 PolarHBondContact O-N 2.93Å; A61-L63 PolarHBondContact O-N 2.91Å
62	D	86.1	Confident	72.1	Confident	130 Å²	130	76.9 Å²	76.9	70%	0.695	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-66.5	132.8	176.6	-57	-58.5	0	0	0	111.8	Q18 N30	Q18-D62 PolarHBondContact NE2-O 3.02Å; N30-D62 PolarHBondContact ND2-O 2.96Å
63	L	88.1	Confident	69	Low	49 Å²	49	79.9 Å²	79.9	26%	0.257	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-99.3	145	165.9	-78.4	166.3	0	0	0	110.2	L11 L14 Y15 A61 L65	L11-L63 HydrophobicContact CD2-CD1 3.92Å; L14-L63 HydrophobicContact CB-CD1 4.27Å; L14-L63 HydrophobicContact CB-CD2 3.98Å; L14-L63 HydrophobicContact CD1-CD1 4.03Å; Y15-L63 HydrophobicContact CD1-CD2 3.62Å; Y15-L63 HydrophobicContact CD1-CG 4.17Å; Y15-L63 HydrophobicContact CE1-CD1 4.38Å; Y15-L63 HydrophobicContact CE1-CD2 3.68Å; Y15-L63 HydrophobicContact CE1-CG 3.68Å; Y15-L63 HydrophobicContact CE2-CD1 4.49Å; Y15-L63 HydrophobicContact CG-CD2 4.14Å; A61-L63 PolarHBondContact O-N 2.91Å; L63-L65 VanDerWaalsContact C-N 3.34Å
64	C	85	Confident	66	Low	41 Å²	41	86.2 Å²	86.2	28%	0.277	49%	0.492	S	S	.	.	S	Bend	trans	-82.1	-13.6	-178.9	-61.2	0	0	0	0	113.9	Q18 C23 C28 N30	Q18-C64 PolarHBondContact OE1-SG 2.86Å; C23-C64 HydrophobicContact CB-CB 3.49Å; C23-C64 VanDerWaalsContact CB-CB 3.49Å; C28-C64 VanDerWaalsContact SG-SG 3.62Å; N30-C64 WeakPolarHBondContact CB-SG 3.27Å; N30-C64 PolarHBondContact ND2-SG 2.9Å
65	L	70.1	Confident	62.9	Low	88 Å²	88	85.5 Å²	85.5	46%	0.461	51%	0.506	S	S	.	.	S	Bend	trans	-125.2	129	177.6	-65.5	167.1	0	0	0	105.8	C23 L63 I70	C23-L65 HydrophobicContact CB-CG 4.48Å; L63-L65 VanDerWaalsContact C-N 3.34Å; L65-I70 HydrophobicContact CB-CD1 4.39Å; L65-I70 HydrophobicContact CD1-CD1 4.07Å
66	S	57.6	Low	60	Low	69 Å²	69	89.3 Å²	89.3	48%	0.483	53%	0.527	S	S	.	.			trans	-67.7	144.1	170.7	-153.1	0	0	0	0	108.9	D68 A69	S66-D68 WeakPolarHBondContact CB-OD2 3.33Å; S66-D68 PolarHBondContact O-N 3.29Å; S66-D68 VanDerWaalsContact O-N 3.11Å; S66-D68 PolarHBondContact OG-OD2 3.11Å; S66-A69 WeakPolarHBondContact O-CB 3.45Å; S66-A69 PolarHBondContact O-N 2.8Å
67	T	49.6	Very low	56.8	Low	72 Å²	72	93.3 Å²	93.3	44%	0.442	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-52.4	-33.6	176.6	6.5	0	0	0	0	112.2	L14 A69	L14-T67 HydrophobicContact CD1-CG2 4.1Å; T67-A69 VanDerWaalsContact C-N 3.33Å; T67-A69 PolarHBondContact O-N 3.25Å
68	D	38.3	Very low	53.9	Low	110 Å²	110	100.2 Å²	100.2	59%	0.588	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-75.6	-19.2	-176.7	-23.3	-82.9	0	0	0	113.1	S66	S66-D68 WeakPolarHBondContact CB-OD2 3.33Å; S66-D68 PolarHBondContact O-N 3.29Å; S66-D68 VanDerWaalsContact O-N 3.11Å; S66-D68 PolarHBondContact OG-OD2 3.11Å
69	A	37.6	Very low	51.2	Low	48 Å²	48	100.9 Å²	100.9	40%	0.397	60%	0.599	S	S	.	*	G	3₁₀ helix	trans	-86.3	-10.6	-166.8	0	0	0	0	0	114.8	S66 T67	S66-A69 WeakPolarHBondContact O-CB 3.45Å; S66-A69 PolarHBondContact O-N 2.8Å; T67-A69 VanDerWaalsContact C-N 3.33Å; T67-A69 PolarHBondContact O-N 3.25Å
70	I	39.3	Very low	48.2	Very low	90 Å²	90	101.4 Å²	101.4	46%	0.462	61%	0.61	S	S	.	*	S	Bend	trans	-97.7	-26.1	-177.3	-57.9	177.7	0	0	0	111.5	L14 L65 S72	L14-I70 HydrophobicContact CD2-CD1 4.42Å; L65-I70 HydrophobicContact CB-CD1 4.39Å; L65-I70 HydrophobicContact CD1-CD1 4.07Å; I70-S72 PolarHBondContact O-N 3.21Å
71	L	36	Very low	45.7	Very low	165 Å²	165	100.8 Å²	100.8	86%	0.864	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	1	178.5	-71	165.4	0	0	0	114.2
72	S	30.7	Very low	43.1	Very low	98 Å²	98	104.4 Å²	104.4	69%	0.685	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.8	11	-169.8	49.5	0	0	0	0	114.9	I70	I70-S72 PolarHBondContact O-N 3.21Å
73	S	28.3	Very low	40.5	Very low	89 Å²	89	103.5 Å²	103.5	62%	0.622	65%	0.653	S	S	*	*			trans	-140.7	67.8	-174.1	72.5	0	0	0	0	115.6
74	S	29.3	Very low	37.9	Very low	133 Å²	133	106.1 Å²	106.1	93%	0.93	68%	0.675	S	S	*	*			trans	-121	41.6	171.1	49.5	0	0	0	0	112.8
75	G	25.5	Very low	35.6	Very low	72 Å²	72	110.6 Å²	110.6	74%	0.742	70%	0.701	S	S	*	*			trans	-164.8	69	-176.5	0	0	0	0	0	115.8
76	M	30.4	Very low	33.4	Very low	194 Å²	194	114.8 Å²	114.8	96%	0.956	72%	0.718	S	S	*	*			trans	-139	147.7	164.4	-70.3	-163.3	77.9	0	0	111.3
77	S	24.9	Very low	32.4	Very low	97 Å²	97	117.5 Å²	117.5	68%	0.678	73%	0.734	S	S	*	*			trans	-129.6	173.1	-165.7	56.6	0	0	0	0	113.4
78	N	27.2	Very low	31.4	Very low	153 Å²	153	121.8 Å²	121.8	82%	0.818	75%	0.749	S	S	*	*			trans	70.7	167.5	170.2	-56.8	-38.2	0	0	0	116.4
79	P	29.6	Very low	31.3	Very low	125 Å²	125	123.9 Å²	123.9	81%	0.812	77%	0.766	S	S	*	*			cis	-122.1	-179.2	-7.2	20.4	3.8	0	0	0	114.3
80	S	25.9	Very low	31.1	Very low	115 Å²	115	127 Å²	127	80%	0.804	78%	0.776	S	S	*	*			trans	-87.7	156.1	178	50	0	0	0	0	114.5
81	T	32.6	Very low	30.7	Very low	151 Å²	151	132.9 Å²	132.9	93%	0.926	79%	0.792	S	S	*	*			trans	-138.4	153.6	163.1	35	0	0	0	0	110.6
82	S	32.1	Very low	30.6	Very low	104 Å²	104	131.6 Å²	131.6	73%	0.727	79%	0.786	S	S	*	*			trans	-116.8	167.5	-157.6	57	0	0	0	0	115.5
83	S	33.2	Very low	30.8	Very low	111 Å²	111	132.6 Å²	132.6	78%	0.776	78%	0.783	S	S	*	*			trans	73.7	143.5	159.6	74.5	0	0	0	0	117
84	S	33.7	Very low	31.1	Very low	104 Å²	104	135.4 Å²	135.4	73%	0.727	79%	0.791	S	S	*	*			cis	-175.2	171.6	-8.5	42.9	0	0	0	0	111.9
85	V	34.6	Very low	31.3	Very low	135 Å²	135	132.4 Å²	132.4	82%	0.818	78%	0.782	S	S	*	*			trans	91.3	108.7	160.2	-172.2	0	0	0	0	117.6
86	E	25.6	Very low	31.7	Very low	176 Å²	176	136.1 Å²	136.1	82%	0.822	79%	0.785	S	S	*	*			trans	-89.8	172.3	154.5	-50.9	176.5	125.9	0	0	110.1
87	P	36.1	Very low	31.9	Very low	126 Å²	126	134.9 Å²	134.9	82%	0.818	78%	0.776	S	S	*	*				-150	170.6	88.9	39.1	-21.4	0	0	0	116.7
88	E	29.4	Very low	32.4	Very low	162 Å²	162	136.2 Å²	136.2	76%	0.757	78%	0.781	S	S	*	*			trans	-62.6	153.9	177.5	-42.1	170.5	113.6	0	0	115.4
89	V	35.6	Very low	32.7	Very low	154 Å²	154	133.2 Å²	133.2	93%	0.933	77%	0.771	S	S	*	*			trans	-138.2	149.4	140.2	-177.7	0	0	0	0	109.1
90	N	32.2	Very low	32.9	Very low	114 Å²	114	132.9 Å²	132.9	61%	0.61	76%	0.763	S	S	*	*			trans	-112.1	161.3	-160.5	-130.6	-72.5	0	0	0	113.5
91	R	32.8	Very low	33.4	Very low	213 Å²	213	134.6 Å²	134.6	80%	0.804	76%	0.758	S	S	*	*			trans	80.2	114.6	151.3	-69.8	173.4	-175.3	178.1	-0.5	123.4
92	N	33.2	Very low	33.5	Very low	137 Å²	137	133.9 Å²	133.9	73%	0.733	75%	0.747	S	S	*	*				77.5	145.8	116.6	-76	56.6	0	0	0	124.9
93	D	35.4	Very low	33.6	Very low	119 Å²	119	135.2 Å²	135.2	64%	0.636	75%	0.746	S	S	*	*			trans	81.5	106.2	144.7	-86.5	52.8	0	0	0	121.5
94	N	34	Very low	33.6	Very low	148 Å²	148	137.5 Å²	137.5	79%	0.791	75%	0.745	S	S	*	*				54.7	124.1	122.5	-57.7	-34.2	0	0	0	120.8
95	G	33.6	Very low	33.7	Very low	70 Å²	70	136.9 Å²	136.9	72%	0.722	75%	0.746	S	S	*	*			trans	162	78.1	162	0	0	0	0	0	117.5
96	D	34.2	Very low	33.6	Very low	151 Å²	151	135 Å²	135	81%	0.807	74%	0.738	S	S	*	*			trans	30.5	139.3	140.7	-57.5	-20.5	0	0	0	124
97	E	34	Very low	33.8	Very low	167 Å²	167	130.7 Å²	130.7	78%	0.78	73%	0.728	S	S	*	*			trans	47	110.3	134.1	-62.2	-171.2	160.9	0	0	119.3
98	T	35.3	Very low	33.7	Very low	126 Å²	126	134.5 Å²	134.5	77%	0.773	73%	0.728	S	S	*	*				159.7	164.9	75	32.1	0	0	0	0	108.1
99	S	33.7	Very low	33.7	Very low	89 Å²	89	133.3 Å²	133.3	62%	0.622	73%	0.725	S	S	*	*			cis	-171.9	177.8	-25.3	62.3	0	0	0	0	108.7
100	N	34.8	Very low	33.4	Very low	119 Å²	119	131.5 Å²	131.5	64%	0.636	72%	0.72	S	S	*	*			trans	73.1	139.3	163.2	-65.3	48	0	0	0	117.6
101	E	34.6	Very low	33.4	Very low	151 Å²	151	133.3 Å²	133.3	71%	0.706	72%	0.724	S	S	*	*			cis	-171.2	176.1	-8.6	-126.6	163.8	179.2	0	0	112.6
102	I	36	Very low	33.3	Very low	135 Å²	135	131 Å²	131	69%	0.692	72%	0.723	S	S	*	*			trans	74.8	95	160.9	-63	148.2	0	0	0	115.7
103	N	33.8	Very low	32.8	Very low	132 Å²	132	132.3 Å²	132.3	71%	0.706	73%	0.729	S	S	*	*				87.2	149.6	90.3	-72.7	15.2	0	0	0	113.5
104	E	33.7	Very low	32.7	Very low	160 Å²	160	132.6 Å²	132.6	75%	0.748	74%	0.737	S	S	*	*			cis	-142	132.3	9.7	-113.4	133.2	-128.8	0	0	108
105	A	34.2	Very low	32.5	Very low	90 Å²	90	130.9 Å²	130.9	74%	0.744	74%	0.737	S	S	*	*				81.4	138.8	82.7	0	0	0	0	0	115.9
106	S	33.9	Very low	32.4	Very low	95 Å²	95	135.1 Å²	135.1	66%	0.664	74%	0.742	S	S	*	*			cis	-178.2	140.7	-14.1	50.1	0	0	0	0	113.9
107	S	30.2	Very low	32.3	Very low	86 Å²	86	136.8 Å²	136.8	60%	0.601	75%	0.745	S	S	*	*			trans	58.7	156.2	152.6	51.2	0	0	0	0	119.4
108	Y	32.9	Very low	31.9	Very low	207 Å²	207	135 Å²	135	81%	0.812	75%	0.746	S	S	*	*			cis	-159.3	162.3	43.4	-78.6	-84.5	0	0	0	110.1
109	L	29.5	Very low	31.7	Very low	136 Å²	136	135.7 Å²	135.7	71%	0.712	75%	0.75	S	S	*	*			cis	-160.9	161.8	-13.7	-174.5	71.2	0	0	0	107.7
110	S	29.4	Very low	31.6	Very low	117 Å²	117	136.7 Å²	136.7	82%	0.818	76%	0.757	S	S	*	*			trans	-148.9	144.6	171.4	-48	0	0	0	0	112.9
111	Q	32	Very low	31.4	Very low	151 Å²	151	137.3 Å²	137.3	71%	0.706	77%	0.765	S	S	*	*			trans	-157.3	152.8	173.6	-74.1	-171.5	-78.5	0	0	108.5
112	E	30	Very low	31.3	Very low	166 Å²	166	136.2 Å²	136.2	78%	0.776	77%	0.771	S	S	*	*			cis	-159.5	161.6	-14.5	-119.6	173.1	-132.9	0	0	109.5
113	L	24.4	Very low	31	Very low	163 Å²	163	135 Å²	135	85%	0.853	77%	0.774	S	S	*	*			trans	-150.5	122.4	178.3	-135.5	172.2	0	0	0	111.3
114	P	33.6	Very low	31	Very low	125 Å²	125	133.6 Å²	133.6	81%	0.812	78%	0.775	S	S	*	*			trans	-86.2	142	-175.7	-11.9	29.5	0	0	0	115.2
115	S	27.9	Very low	31	Very low	112 Å²	112	134.1 Å²	134.1	78%	0.783	78%	0.777	S	S	*	*			trans	-103.2	153.7	-178.5	63.2	0	0	0	0	114.4
116	L	32.7	Very low	30.9	Very low	160 Å²	160	137.9 Å²	137.9	84%	0.838	78%	0.78	S	S	*	*			trans	-155.3	95.4	160.9	-114.8	167.5	0	0	0	116.1
117	Q	31.2	Very low	30.7	Very low	185 Å²	185	141.1 Å²	141.1	86%	0.864	79%	0.788	S	S	*	*			trans	47.5	152	141	-62.9	-178	-8.2	0	0	124.3
118	T	25.7	Very low	30.8	Very low	130 Å²	130	141.3 Å²	141.3	80%	0.798	80%	0.796	S	S	*	*			trans	-107.1	154	-169.4	53.8	0	0	0	0	115.1
119	T	30.8	Very low	30.7	Very low	140 Å²	140	135.7 Å²	135.7	86%	0.859	79%	0.792	S	S	*	*			trans	-154.3	124.5	152.2	6	0	0	0	0	115.9
120	S	32.2	Very low	30.9	Very low	110 Å²	110	136.6 Å²	136.6	77%	0.769	80%	0.803	S	S	*	*			trans	20.6	132	151.6	58.6	0	0	0	0	123.9
121	V	30.8	Very low	30.9	Very low	133 Å²	133	135.9 Å²	135.9	81%	0.806	80%	0.798	S	S	*	*			trans	-82.5	164.2	162.2	-150.2	0	0	0	0	111.8
122	P	33.5	Very low	31	Very low	127 Å²	127	135.9 Å²	135.9	83%	0.825	80%	0.803	S	S	*	*				-142.8	164.6	115.6	39.1	-26.7	0	0	0	115.5
123	S	29.1	Very low	31.2	Very low	109 Å²	109	131.5 Å²	131.5	76%	0.762	80%	0.795	S	S	*	*			trans	-117.6	156.5	-173.8	55.9	0	0	0	0	113.8
124	S	34.1	Very low	31.4	Very low	103 Å²	103	131.4 Å²	131.4	72%	0.72	79%	0.794	S	S	*	*			trans	-169.4	129.3	162.5	-85.6	0	0	0	0	114.7
125	Q	33.9	Very low	31.4	Very low	172 Å²	172	131.7 Å²	131.7	80%	0.804	79%	0.793	S	S	*	*				49.7	150.3	128.4	-62	175	8.7	0	0	121.7
126	Q	30.5	Very low	31.5	Very low	169 Å²	169	132 Å²	132	79%	0.79	80%	0.796	S	S	*	*			cis	-177	-177.3	-27.5	-136.5	178.8	1.1	0	0	107.9
127	L	31.3	Very low	31.4	Very low	162 Å²	162	127.7 Å²	127.7	85%	0.848	79%	0.789	S	S	*	*			trans	87.4	117.7	174.9	-52.9	162.9	0	0	0	114.7
128	A	32.1	Very low	31.4	Very low	91 Å²	91	124 Å²	124	75%	0.752	78%	0.781	S	S	*	*			cis	86.8	147.6	39.3	0	0	0	0	0	114.2
129	A	30.7	Very low	31.6	Very low	89 Å²	89	122.6 Å²	122.6	74%	0.736	77%	0.769	S	S	*	*			cis	-175.3	151.3	-22.7	0	0	0	0	0	109
130	T	33.2	Very low	31.7	Very low	155 Å²	155	124.6 Å²	124.6	95%	0.951	77%	0.769	S	S	*	*			trans	-164.7	159.7	153	11.8	0	0	0	0	110.4
131	S	29.9	Very low	31.5	Very low	101 Å²	101	127.6 Å²	127.6	71%	0.706	78%	0.776	S	S	*	*			trans	-125	169.7	-166	55.8	0	0	0	0	114
132	D	33.6	Very low	31.4	Very low	151 Å²	151	126.1 Å²	126.1	81%	0.807	77%	0.772	S	S	*	*			trans	141.4	145.7	136.1	-69.7	-2.8	0	0	0	111.8
133	A	33.4	Very low	31.3	Very low	74 Å²	74	129.9 Å²	129.9	61%	0.612	78%	0.775	S	S	*	*			cis	-172.3	134.6	-27.8	0	0	0	0	0	109.8
134	I	30.4	Very low	31.3	Very low	161 Å²	161	132.4 Å²	132.4	83%	0.826	78%	0.775	S	S	*	*			trans	70	137.9	160.4	-50.9	150.8	0	0	0	113.5
135	T	33.6	Very low	31.2	Very low	131 Å²	131	133.2 Å²	133.2	80%	0.804	78%	0.78	S	S	*	*			cis	-147.3	173.6	30.2	-25.1	0	0	0	0	111.5
136	S	29.8	Very low	31.2	Very low	120 Å²	120	131.2 Å²	131.2	84%	0.839	78%	0.775	S	S	*	*			trans	-85.8	143.7	-178.8	54	0	0	0	0	116.3
137	G	30.5	Very low	31.6	Very low	68 Å²	68	127.8 Å²	127.8	70%	0.701	76%	0.76	S	S	*	*			trans	-158.7	153	158.5	0	0	0	0	0	109
138	P	30.6	Very low	32.2	Very low	107 Å²	107	123.4 Å²	123.4	70%	0.695	74%	0.74	S	S	*	*			trans	-80.3	176.5	-179.7	33.4	-34.9	0	0	0	113.3
139	D	29.1	Very low	32.5	Very low	102 Å²	102	122.3 Å²	122.3	55%	0.545	73%	0.725	S	S	.	*			trans	73.2	104.2	164.6	-45.8	-58.7	0	0	0	118.5	Y361	D139-Y361 WeakPolarHBondContact OD2-CE2 3.34Å; D139-Y361 VanDerWaalsContact OD2-CZ 3.22Å; D139-Y361 PolarHBondContact OD2-OH 2.86Å
140	E	32.9	Very low	33.2	Very low	182 Å²	182	120.6 Å²	120.6	85%	0.85	71%	0.711	S	S	*	*				174.8	120.7	127.5	-98.5	-175	-171.8	0	0	110.7	S142	E140-S142 VanDerWaalsContact C-N 3.34Å; E140-S142 PolarHBondContact O-N 3.43Å
141	D	29.1	Very low	33.8	Very low	172 Å²	172	117.4 Å²	117.4	92%	0.92	69%	0.685	S	S	*	*			trans	-79	73.8	178.9	-91.7	-42.8	0	0	0	112.3	F143	D141-F143 PolarHBondContact O-N 2.93Å
142	S	29.2	Very low	34.7	Very low	102 Å²	102	115.3 Å²	115.3	71%	0.713	67%	0.668	S	S	*	*			trans	-92	77.7	-176.9	73.6	0	0	0	0	113.9	E140	E140-S142 VanDerWaalsContact C-N 3.34Å; E140-S142 PolarHBondContact O-N 3.43Å
143	F	30.3	Very low	35.4	Very low	206 Å²	206	110.7 Å²	110.7	90%	0.904	65%	0.646	S	S	*	*			trans	-107.9	70.3	170.3	-94.8	-78.6	0	0	0	113.2	D141	D141-F143 PolarHBondContact O-N 2.93Å
144	H	29.8	Very low	36.3	Very low	163 Å²	163	115.8 Å²	115.8	76%	0.755	65%	0.649	S	S	*	*			trans	-100.5	105	171.1	-96	-36.2	0	0	0	112.8	L146	H144-L146 HydrophobicContact CB-CG 4.42Å
145	S	30.5	Very low	37.1	Very low	119 Å²	119	110.8 Å²	110.8	83%	0.832	62%	0.624	S	S	*	*			trans	-111.9	75.4	155.5	178.8	0	0	0	0	108.7	M147	S145-M147 PolarHBondContact O-N 3.38Å
146	L	35.2	Very low	38	Very low	131 Å²	131	105.1 Å²	105.1	69%	0.686	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-66.5	120.8	-177.5	-73.6	165.2	0	0	0	111.3	H144	H144-L146 HydrophobicContact CB-CG 4.42Å
147	M	38.3	Very low	39.2	Very low	96 Å²	96	103.7 Å²	103.7	47%	0.473	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-59.1	143.6	163.3	-86.1	-172.8	155.9	0	0	110.3	S145 E151 V152 L155	S145-M147 PolarHBondContact O-N 3.38Å; M147-E151 HydrophobicContact CB-CB 4.03Å; M147-E151 HydrophobicContact CE-CB 4.46Å; M147-E151 HydrophobicContact CG-CB 4.09Å; M147-E151 HydrophobicContact SD-CB 4.15Å; M147-V152 HydrophobicContact CB-CG2 3.69Å; M147-L155 HydrophobicContact CE-CD2 4.14Å; M147-L155 HydrophobicContact SD-CD2 3.84Å
148	T	43.1	Very low	40.2	Very low	70 Å²	70	107.6 Å²	107.6	43%	0.429	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-67.2	157.3	172.8	63.8	0	0	0	0	111.3	A150 E151 V152	T148-A150 PolarHBondContact O-N 2.79Å; T148-A150 VanDerWaalsContact O-N 3.11Å; T148-E151 VanDerWaalsContact CB-OE2 3.27Å; T148-E151 WeakPolarHBondContact CB-OE2 3.46Å; T148-E151 WeakPolarHBondContact CG2-OE2 3.18Å; T148-E151 PolarHBondContact N-OE2 2.92Å; T148-E151 PolarHBondContact O-N 2.96Å; T148-E151 WeakPolarHBondContact OG1-CG 3.32Å; T148-E151 PolarHBondContact OG1-N 3.34Å; T148-E151 PolarHBondContact OG1-OE2 2.92Å; T148-V152 PolarHBondContact O-N 3.33Å
149	P	39.6	Very low	40.9	Very low	68 Å²	68	103.7 Å²	103.7	44%	0.442	54%	0.54	S	S	.	.	H	α-helix	trans	-39	-48	169.4	-38.4	40.2	0	0	0	115.4	T153 I656	P149-T153 PolarHBondContact O-N 3.34Å; P149-T153 PolarHBondContact O-OG1 3.49Å; P149-T153 VanDerWaalsContact O-OG1 3.14Å; P149-I656 HydrophobicContact CB-CG2 3.39Å; P149-I656 HydrophobicContact CG-CD1 4.3Å; P149-I656 HydrophobicContact CG-CG1 4.39Å; P149-I656 HydrophobicContact CG-CG2 3.41Å; P149-I656 VanDerWaalsContact CG-CG2 3.41Å
150	A	44.5	Very low	42	Very low	53 Å²	53	99 Å²	99	44%	0.438	52%	0.515	S	S	.	.	H	α-helix	trans	-73.6	-29.2	-177.4	0	0	0	0	0	112.9	T148 R154	T148-A150 PolarHBondContact O-N 2.79Å; T148-A150 VanDerWaalsContact O-N 3.11Å; A150-R154 VanDerWaalsContact O-CB 3.23Å; A150-R154 WeakPolarHBondContact O-CB 3.33Å; A150-R154 WeakPolarHBondContact O-CD 3.36Å; A150-R154 WeakPolarHBondContact O-CG 3.49Å; A150-R154 PolarHBondContact O-N 2.94Å
151	E	46.8	Very low	42.9	Very low	88 Å²	88	93.2 Å²	93.2	41%	0.411	49%	0.49	S	S	.	.	H	α-helix	trans	-75.1	-39.9	174.4	-71.2	159.4	149.1	0	0	111.2	M147 T148 R154 L155	M147-E151 HydrophobicContact CB-CB 4.03Å; M147-E151 HydrophobicContact CE-CB 4.46Å; M147-E151 HydrophobicContact CG-CB 4.09Å; M147-E151 HydrophobicContact SD-CB 4.15Å; T148-E151 VanDerWaalsContact CB-OE2 3.27Å; T148-E151 WeakPolarHBondContact CB-OE2 3.46Å; T148-E151 WeakPolarHBondContact CG2-OE2 3.18Å; T148-E151 PolarHBondContact N-OE2 2.92Å; T148-E151 PolarHBondContact O-N 2.96Å; T148-E151 WeakPolarHBondContact OG1-CG 3.32Å; T148-E151 PolarHBondContact OG1-N 3.34Å; T148-E151 PolarHBondContact OG1-OE2 2.92Å; E151-R154 PolarHBondContact O-N 3.34Å; E151-L155 WeakPolarHBondContact O-CB 3.41Å; E151-L155 PolarHBondContact O-N 2.98Å
152	V	47.5	Very low	43.4	Very low	57 Å²	57	87.1 Å²	87.1	35%	0.345	46%	0.463	S	S	.	.	H	α-helix	trans	-60.4	-50.3	172	176.7	0	0	0	0	110.5	M147 T148 R154 L155 I156	M147-V152 HydrophobicContact CB-CG2 3.69Å; T148-V152 PolarHBondContact O-N 3.33Å; V152-R154 PolarHBondContact O-N 3.14Å; V152-L155 PolarHBondContact O-N 3.26Å; V152-I156 HydrophobicContact CG1-CD1 3.74Å; V152-I156 HydrophobicContact CG1-CG1 4.47Å; V152-I156 WeakPolarHBondContact O-CB 3.28Å; V152-I156 VanDerWaalsContact O-CG1 3.29Å; V152-I156 WeakPolarHBondContact O-CG1 3.44Å; V152-I156 PolarHBondContact O-N 3.01Å
153	T	48.5	Very low	43.8	Very low	55 Å²	55	83 Å²	83	34%	0.337	43%	0.434	S	S	.	.	H	α-helix	trans	-62.5	-42.6	177.8	-58.5	0	0	0	0	112.1	P149 I156 M157 I649	P149-T153 PolarHBondContact O-N 3.34Å; P149-T153 PolarHBondContact O-OG1 3.49Å; P149-T153 VanDerWaalsContact O-OG1 3.14Å; T153-I156 PolarHBondContact O-N 3.25Å; T153-M157 HydrophobicContact CG2-SD 4.27Å; T153-M157 WeakPolarHBondContact O-CB 3.46Å; T153-M157 WeakPolarHBondContact O-CG 3.28Å; T153-M157 PolarHBondContact O-N 2.88Å; T153-I649 HydrophobicContact CG2-CG2 4.39Å
154	R	52.9	Low	44.2	Very low	180 Å²	180	76.4 Å²	76.4	68%	0.679	41%	0.407	S	S	*	.	H	α-helix	trans	-64.4	-38.9	175.8	-79.4	171.8	177.5	172.2	-0.8	112.8	A150 E151 V152 F158	A150-R154 VanDerWaalsContact O-CB 3.23Å; A150-R154 WeakPolarHBondContact O-CB 3.33Å; A150-R154 WeakPolarHBondContact O-CD 3.36Å; A150-R154 WeakPolarHBondContact O-CG 3.49Å; A150-R154 PolarHBondContact O-N 2.94Å; E151-R154 PolarHBondContact O-N 3.34Å; V152-R154 PolarHBondContact O-N 3.14Å; R154-F158 VanDerWaalsContact O-CB 3.23Å; R154-F158 WeakPolarHBondContact O-CB 3.43Å; R154-F158 PolarHBondContact O-N 3.42Å
155	L	46.5	Very low	44.4	Very low	57 Å²	57	73 Å²	73	30%	0.298	39%	0.394	S	S	.	.	H	α-helix	trans	-66.3	-43.7	177	-171.4	72	0	0	0	110.4	M147 E151 V152 F158 L159	M147-L155 HydrophobicContact CE-CD2 4.14Å; M147-L155 HydrophobicContact SD-CD2 3.84Å; E151-L155 WeakPolarHBondContact O-CB 3.41Å; E151-L155 PolarHBondContact O-N 2.98Å; V152-L155 PolarHBondContact O-N 3.26Å; L155-F158 PolarHBondContact O-N 2.99Å; L155-L159 HydrophobicContact CG-CD1 4.4Å; L155-L159 WeakPolarHBondContact O-CB 3.28Å; L155-L159 WeakPolarHBondContact O-CG 3.44Å; L155-L159 PolarHBondContact O-N 3.06Å
156	I	52.2	Low	44.7	Very low	12 Å²	12	73.1 Å²	73.1	6%	0.062	39%	0.385	C	S	.	.	H	α-helix	trans	-63.3	-45	176.2	-68	168.7	0	0	0	111	V152 T153 L159 F160 I649	V152-I156 HydrophobicContact CG1-CD1 3.74Å; V152-I156 HydrophobicContact CG1-CG1 4.47Å; V152-I156 WeakPolarHBondContact O-CB 3.28Å; V152-I156 VanDerWaalsContact O-CG1 3.29Å; V152-I156 WeakPolarHBondContact O-CG1 3.44Å; V152-I156 PolarHBondContact O-N 3.01Å; T153-I156 PolarHBondContact O-N 3.25Å; I156-L159 PolarHBondContact O-N 3Å; I156-F160 HydrophobicContact CG2-CD2 3.66Å; I156-F160 HydrophobicContact CG2-CE2 3.34Å; I156-F160 HydrophobicContact CG2-CZ 4.33Å; I156-F160 VanDerWaalsContact O-CD2 3.24Å; I156-F160 WeakPolarHBondContact O-CD2 3.46Å; I156-F160 PolarHBondContact O-N 3.09Å; I156-F160 VanDerWaalsContact O-N 3.07Å; I156-I649 HydrophobicContact CG2-CD1 4.02Å; I156-I649 HydrophobicContact CG2-CG1 3.86Å
157	M	55.2	Low	44.7	Very low	89 Å²	89	72.4 Å²	72.4	44%	0.438	38%	0.378	S	S	.	.	H	α-helix	trans	-58.4	-53.2	173	-72.8	179.1	67.3	0	0	111.1	T153 L159 F160 D161	T153-M157 HydrophobicContact CG2-SD 4.27Å; T153-M157 WeakPolarHBondContact O-CB 3.46Å; T153-M157 WeakPolarHBondContact O-CG 3.28Å; T153-M157 PolarHBondContact O-N 2.88Å; M157-L159 VanDerWaalsContact C-N 3.27Å; M157-L159 PolarHBondContact O-N 3.19Å; M157-F160 PolarHBondContact O-N 3.05Å; M157-F160 VanDerWaalsContact O-N 3.12Å; M157-D161 WeakPolarHBondContact O-CB 3.4Å; M157-D161 PolarHBondContact O-N 2.92Å
158	F	51.6	Low	44.4	Very low	150 Å²	150	72.7 Å²	72.7	66%	0.658	38%	0.381	S	S	*	.	H	α-helix	trans	-58.1	-35.1	-180	-179.8	-97.3	0	0	0	113.4	R154 L155 A162	R154-F158 VanDerWaalsContact O-CB 3.23Å; R154-F158 WeakPolarHBondContact O-CB 3.43Å; R154-F158 PolarHBondContact O-N 3.42Å; L155-F158 PolarHBondContact O-N 2.99Å; F158-A162 WeakPolarHBondContact O-CB 3.31Å; F158-A162 PolarHBondContact O-N 3.31Å
159	L	46.9	Very low	43.7	Very low	25 Å²	25	75.7 Å²	75.7	13%	0.131	39%	0.394	C	S	.	.	H	α-helix	trans	-68.2	-46	174.4	-72.5	165.4	0	0	0	112.8	L155 I156 M157 A162 S163 M684 L687 R691	L155-L159 HydrophobicContact CG-CD1 4.4Å; L155-L159 WeakPolarHBondContact O-CB 3.28Å; L155-L159 WeakPolarHBondContact O-CG 3.44Å; L155-L159 PolarHBondContact O-N 3.06Å; I156-L159 PolarHBondContact O-N 3Å; M157-L159 VanDerWaalsContact C-N 3.27Å; M157-L159 PolarHBondContact O-N 3.19Å; L159-A162 PolarHBondContact O-N 3.15Å; L159-S163 PolarHBondContact O-N 3.46Å; L159-M684 HydrophobicContact CD1-CE 4.17Å; L159-L687 HydrophobicContact CB-CD1 4.46Å; L159-R691 VanDerWaalsContact CD1-CZ 3.47Å
160	F	51.7	Low	43.2	Very low	5 Å²	5	77.2 Å²	77.2	2%	0.022	41%	0.406	C	S	.	.	H	α-helix	trans	-66.7	-44.5	177.8	-73.3	-49.5	0	0	0	110.8	I156 M157 A162 S163 E164 K645 Y680 M684	I156-F160 HydrophobicContact CG2-CD2 3.66Å; I156-F160 HydrophobicContact CG2-CE2 3.34Å; I156-F160 HydrophobicContact CG2-CZ 4.33Å; I156-F160 VanDerWaalsContact O-CD2 3.24Å; I156-F160 WeakPolarHBondContact O-CD2 3.46Å; I156-F160 PolarHBondContact O-N 3.09Å; I156-F160 VanDerWaalsContact O-N 3.07Å; M157-F160 PolarHBondContact O-N 3.05Å; M157-F160 VanDerWaalsContact O-N 3.12Å; F160-A162 VanDerWaalsContact C-N 3.25Å; F160-A162 PolarHBondContact O-N 3.25Å; F160-S163 CarbonylContact O-C 3.05Å; F160-S163 PolarHBondContact O-N 3.04Å; F160-S163 VanDerWaalsContact O-N 3.09Å; F160-E164 WeakPolarHBondContact O-CB 3.4Å; F160-E164 WeakPolarHBondContact O-CG 3.24Å; F160-E164 PolarHBondContact O-N 2.84Å; F160-K645 HydrophobicContact CB-CD 4.39Å; F160-K645 VanDerWaalsContact CB-CE 3.43Å; F160-K645 HydrophobicContact CD2-CD 4.36Å; F160-K645 HydrophobicContact CD2-CG 4.04Å; F160-K645 HydrophobicContact CE2-CG 4.33Å; F160-Y680 HydrophobicContact CD1-CD1 4.29Å; F160-Y680 HydrophobicContact CD1-CE1 4.24Å; F160-Y680 AromaticContact CE1-CD1 3.55Å; F160-Y680 HydrophobicContact CE1-CD1 3.55Å; F160-Y680 AromaticContact CE1-CE1 3.95Å; F160-Y680 HydrophobicContact CE1-CE1 3.95Å; F160-Y680 HydrophobicContact CE2-CD1 4.43Å; F160-Y680 AromaticContact CZ-CD1 3.62Å; F160-Y680 HydrophobicContact CZ-CD1 3.62Å; F160-Y680 HydrophobicContact CZ-CE1 4.2Å; F160-M684 HydrophobicContact CE1-CG 3.96Å; F160-M684 HydrophobicContact CE1-SD 3.78Å; F160-M684 HydrophobicContact CE2-SD 4.29Å; F160-M684 HydrophobicContact CZ-CG 3.61Å; F160-M684 HydrophobicContact CZ-SD 3.61Å
161	D	50.5	Low	42.5	Very low	60 Å²	60	79.5 Å²	79.5	32%	0.321	42%	0.419	S	S	.	.	H	α-helix	trans	-65.3	-32.2	178.7	-55.7	-7	0	0	0	110.2	M157 N165 K645	M157-D161 WeakPolarHBondContact O-CB 3.4Å; M157-D161 PolarHBondContact O-N 2.92Å; D161-N165 PolarHBondContact O-N 3.01Å; D161-N165 PolarHBondContact O-ND2 2.67Å; D161-K645 IonicContact OD1-NZ 3.23Å; D161-K645 PolarHBondContact OD1-NZ 2.81Å
162	A	40	Very low	41.4	Very low	43 Å²	43	83.9 Å²	83.9	36%	0.355	44%	0.44	S	S	.	.	H	α-helix	trans	-69.4	-41.1	169.7	0	0	0	0	0	113.1	F158 L159 F160 E164 N165 D166	F158-A162 WeakPolarHBondContact O-CB 3.31Å; F158-A162 PolarHBondContact O-N 3.31Å; L159-A162 PolarHBondContact O-N 3.15Å; F160-A162 VanDerWaalsContact C-N 3.25Å; F160-A162 PolarHBondContact O-N 3.25Å; A162-E164 VanDerWaalsContact C-N 3.3Å; A162-E164 PolarHBondContact O-N 3.08Å; A162-N165 WeakPolarHBondContact O-CB 3.44Å; A162-N165 PolarHBondContact O-N 2.88Å; A162-D166 PolarHBondContact O-N 3.11Å
163	S	38.1	Very low	40.5	Very low	15 Å²	15	88.5 Å²	88.5	11%	0.105	46%	0.461	C	S	.	.	H	α-helix	trans	-67	-30.9	173.7	-173.2	0	0	0	0	112.5	L159 F160 D166 E167 R683	L159-S163 PolarHBondContact O-N 3.46Å; F160-S163 CarbonylContact O-C 3.05Å; F160-S163 PolarHBondContact O-N 3.04Å; F160-S163 VanDerWaalsContact O-N 3.09Å; S163-D166 PolarHBondContact O-N 3.39Å; S163-E167 PolarHBondContact O-N 2.97Å; S163-R683 PolarHBondContact OG-NH2 3Å
164	E	38.7	Very low	39.7	Very low	69 Å²	69	92.7 Å²	92.7	32%	0.322	48%	0.482	S	S	.	.	H	α-helix	trans	-71.6	-32.5	173	-74.8	161.2	-146	0	0	110.2	F160 A162 D166 E167 I168 K645	F160-E164 WeakPolarHBondContact O-CB 3.4Å; F160-E164 WeakPolarHBondContact O-CG 3.24Å; F160-E164 PolarHBondContact O-N 2.84Å; A162-E164 VanDerWaalsContact C-N 3.3Å; A162-E164 PolarHBondContact O-N 3.08Å; E164-D166 VanDerWaalsContact C-N 3.34Å; E164-D166 PolarHBondContact O-N 2.93Å; E164-E167 CarbonylContact O-C 3.55Å; E164-E167 PolarHBondContact O-N 3.48Å; E164-E167 VanDerWaalsContact O-N 3.1Å; E164-I168 HydrophobicContact CB-CD1 4.17Å; E164-I168 VanDerWaalsContact O-CB 3.28Å; E164-I168 WeakPolarHBondContact O-CB 3.4Å; E164-I168 WeakPolarHBondContact O-CD1 3.28Å; E164-I168 WeakPolarHBondContact O-CG1 3.42Å; E164-I168 PolarHBondContact O-N 3.29Å; E164-K645 VanDerWaalsContact CD-NZ 3.3Å; E164-K645 IonicContact OE1-NZ 3.2Å; E164-K645 PolarHBondContact OE1-NZ 2.96Å; E164-K645 IonicContact OE2-NZ 2.68Å; E164-K645 PolarHBondContact OE2-NZ 3.28Å
165	N	35	Very low	38.5	Very low	92 Å²	92	92.6 Å²	92.6	49%	0.492	49%	0.489	S	S	.	.	H	α-helix	trans	-67.7	-28.9	171.6	-83.8	-80.1	0	0	0	113.6	D161 A162 E167 I168 N169	D161-N165 PolarHBondContact O-N 3.01Å; D161-N165 PolarHBondContact O-ND2 2.67Å; A162-N165 WeakPolarHBondContact O-CB 3.44Å; A162-N165 PolarHBondContact O-N 2.88Å; N165-E167 VanDerWaalsContact C-N 3.27Å; N165-E167 PolarHBondContact O-N 3.44Å; N165-I168 PolarHBondContact O-N 2.9Å; N165-N169 PolarHBondContact O-ND2 2.88Å
166	D	35.6	Very low	37.9	Very low	120 Å²	120	95.6 Å²	95.6	64%	0.642	51%	0.512	S	S	*	.	H	α-helix	trans	-66.5	-29.2	169.4	-74.8	-21.6	0	0	0	111.5	A162 S163 E164	A162-D166 PolarHBondContact O-N 3.11Å; S163-D166 PolarHBondContact O-N 3.39Å; E164-D166 VanDerWaalsContact C-N 3.34Å; E164-D166 PolarHBondContact O-N 2.93Å
167	E	36.5	Very low	36.8	Very low	116 Å²	116	99 Å²	99	54%	0.542	54%	0.542	S	S	.	.	H	α-helix	trans	-88.1	-16.1	174.9	-70.8	-174.7	-159.3	0	0	114.7	S163 E164 N165	S163-E167 PolarHBondContact O-N 2.97Å; E164-E167 CarbonylContact O-C 3.55Å; E164-E167 PolarHBondContact O-N 3.48Å; E164-E167 VanDerWaalsContact O-N 3.1Å; N165-E167 VanDerWaalsContact C-N 3.27Å; N165-E167 PolarHBondContact O-N 3.44Å
168	I	31.6	Very low	35.7	Very low	102 Å²	102	100.9 Å²	100.9	52%	0.523	56%	0.564	S	S	.	*	H	α-helix	trans	-98	-8.1	-171.3	-74.7	166.5	0	0	0	113.6	E164 N165 S170	E164-I168 HydrophobicContact CB-CD1 4.17Å; E164-I168 VanDerWaalsContact O-CB 3.28Å; E164-I168 WeakPolarHBondContact O-CB 3.4Å; E164-I168 WeakPolarHBondContact O-CD1 3.28Å; E164-I168 WeakPolarHBondContact O-CG1 3.42Å; E164-I168 PolarHBondContact O-N 3.29Å; N165-I168 PolarHBondContact O-N 2.9Å; I168-S170 PolarHBondContact O-N 2.94Å
169	N	27.6	Very low	34.7	Very low	134 Å²	134	97.1 Å²	97.1	72%	0.717	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	0.7	179.9	-86.2	-63.4	0	0	0	115.3	N165	N165-N169 PolarHBondContact O-ND2 2.88Å
170	S	29.8	Very low	33.9	Very low	99 Å²	99	102.3 Å²	102.3	69%	0.692	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.1	30.8	-178	66.7	0	0	0	0	115.3	I168	I168-S170 PolarHBondContact O-N 2.94Å
171	S	28.6	Very low	32.8	Very low	101 Å²	101	108.7 Å²	108.7	71%	0.706	64%	0.635	S	S	*	*			trans	-156.9	53.8	171.2	54.9	0	0	0	0	116.4
172	Q	25.6	Very low	31.8	Very low	181 Å²	181	111.1 Å²	111.1	85%	0.846	65%	0.652	S	S	*	*			trans	-94.4	112.1	158.5	-70.4	-167.8	19.2	0	0	111.2
173	L	27.5	Very low	31.6	Very low	153 Å²	153	116.9 Å²	116.9	80%	0.801	67%	0.671	S	S	*	*			trans	174.1	136.4	135.7	-95.2	160.2	0	0	0	113
174	N	32	Very low	31.2	Very low	143 Å²	143	122 Å²	122	77%	0.765	70%	0.697	S	S	*	*			trans	71.6	102.5	159.9	-50.8	-35.6	0	0	0	120.5
175	E	27.3	Very low	31.1	Very low	178 Å²	178	129.6 Å²	129.6	83%	0.832	72%	0.724	S	S	*	*			trans	-70.7	168.2	135.7	-58.6	-165.2	139.5	0	0	110.2
176	P	33.2	Very low	31	Very low	121 Å²	121	129.5 Å²	129.5	79%	0.786	74%	0.737	S	S	*	*				-149.5	131.3	90.6	35.6	-16.5	0	0	0	117.7
177	A	29.5	Very low	30.7	Very low	83 Å²	83	127.6 Å²	127.6	69%	0.686	74%	0.738	S	S	*	*			trans	75.4	143.2	131.4	0	0	0	0	0	123.7
178	S	32.9	Very low	30.6	Very low	128 Å²	128	129.8 Å²	129.8	90%	0.895	75%	0.753	S	S	*	*			trans	88.7	119.9	162.1	76.7	0	0	0	0	118.2
179	G	29.4	Very low	30.5	Very low	72 Å²	72	132.1 Å²	132.1	74%	0.742	77%	0.767	S	S	*	*			cis	175.1	-165.8	-6.3	0	0	0	0	0	114.9
180	V	31.9	Very low	30.7	Very low	133 Å²	133	133.5 Å²	133.5	81%	0.806	77%	0.774	S	S	*	*			trans	84.7	84	-179.8	-167.5	0	0	0	0	115.6
181	N	28.2	Very low	30.6	Very low	140 Å²	140	136.2 Å²	136.2	75%	0.749	78%	0.781	S	S	*	*				33.5	141.6	110.2	-53.9	14.2	0	0	0	118.5
182	T	29.4	Very low	30.7	Very low	111 Å²	111	137.1 Å²	137.1	68%	0.681	79%	0.787	S	S	*	*			cis	-159.6	171.1	6.3	0.7	0	0	0	0	109.2
183	E	35	Very low	30.6	Very low	163 Å²	163	136.2 Å²	136.2	76%	0.762	79%	0.787	S	S	*	*			trans	151.4	48.5	163.1	-52.2	148.9	-111	0	0	116.5
184	D	31.2	Very low	30.5	Very low	122 Å²	122	135 Å²	135	65%	0.652	79%	0.787	S	S	*	*			trans	-3.3	136.5	168.1	-60.1	-27.2	0	0	0	120.8
185	Y	35.8	Very low	30.2	Very low	229 Å²	229	133.9 Å²	133.9	90%	0.898	79%	0.79	S	S	*	*				-161.6	119.8	99	-101.8	-66.5	0	0	0	113.9
186	A	31.6	Very low	30.1	Very low	91 Å²	91	128.7 Å²	128.7	75%	0.752	78%	0.777	S	S	*	*			trans	-69.8	169.3	169.5	0	0	0	0	0	112.8
187	A	30.8	Very low	29.8	Very low	80 Å²	80	131.8 Å²	131.8	66%	0.661	78%	0.779	S	S	*	*			cis	-172.3	165.3	-23	0	0	0	0	0	107.7
188	D	33.1	Very low	29.6	Very low	161 Å²	161	135.1 Å²	135.1	86%	0.861	78%	0.784	S	S	*	*				173.7	138	117.8	-89.5	-19.1	0	0	0	110.8
189	N	29.3	Very low	29.2	Very low	151 Å²	151	134.5 Å²	134.5	81%	0.807	78%	0.78	S	S	*	*			trans	-80.3	149.7	169.2	-72.6	-36.1	0	0	0	109.7
190	D	31.9	Very low	29.2	Very low	164 Å²	164	142 Å²	142	88%	0.877	79%	0.786	S	S	*	*				-156.9	148.2	113.1	-123	-24.4	0	0	0	113.3
191	N	28.5	Very low	28.9	Very low	155 Å²	155	140.6 Å²	140.6	83%	0.829	78%	0.782	S	S	*	*			trans	-88.3	129.1	-177.7	-75.6	-60.3	0	0	0	111.7
192	S	30.2	Very low	29	Very low	121 Å²	121	141.7 Å²	141.7	85%	0.846	78%	0.782	S	S	*	*			trans	-151.7	144.8	152.8	58.9	0	0	0	0	111.7
193	L	24.5	Very low	29	Very low	161 Å²	161	143.1 Å²	143.1	84%	0.843	79%	0.785	S	S	*	*			trans	-103.7	149.5	-177.3	-78.5	166.2	0	0	0	111.4
194	T	25.1	Very low	28.5	Very low	129 Å²	129	145.2 Å²	145.2	79%	0.791	79%	0.792	S	S	*	*			trans	70	145.3	165.2	67.8	0	0	0	0	119.6
195	S	25.9	Very low	28.2	Very low	119 Å²	119	142.8 Å²	142.8	83%	0.832	80%	0.795	S	S	*	*			trans	69	150.8	172.4	82	0	0	0	0	116.7
196	A	25.8	Very low	27.8	Very low	68 Å²	68	138.1 Å²	138.1	56%	0.562	79%	0.791	S	S	*	*			cis	-170.3	-179.6	-24.1	0	0	0	0	0	108.9
197	F	25.9	Very low	27.5	Very low	187 Å²	187	139.1 Å²	139.1	82%	0.82	79%	0.792	S	S	*	*			trans	69.8	126.7	170.3	-53.8	-80.8	0	0	0	115.4
198	L	24.9	Very low	27.2	Very low	153 Å²	153	147.2 Å²	147.2	80%	0.801	81%	0.806	S	S	*	*				71.2	122.2	57.2	-69.4	171.2	0	0	0	114.7
199	S	25.5	Very low	27	Very low	115 Å²	115	144.6 Å²	144.6	80%	0.804	80%	0.797	S	S	*	*			trans	66.7	134.1	-178.4	80.8	0	0	0	0	114.8
200	R	29.6	Very low	26.8	Very low	229 Å²	229	143.2 Å²	143.2	86%	0.864	80%	0.8	S	S	*	*			cis	-138.7	139.7	34.2	-73.5	172.5	161.6	-180	-6.7	114.5
201	S	25.8	Very low	26.7	Very low	103 Å²	103	141 Å²	141	72%	0.72	80%	0.797	S	S	*	*			trans	-65	144.9	153.5	53.6	0	0	0	0	111.9
202	H	30.2	Very low	26.7	Very low	164 Å²	164	138.7 Å²	138.7	76%	0.759	79%	0.793	S	S	*	*			trans	-163.8	130.7	139.9	-103.5	-64.2	0	0	0	113.7
203	L	28.9	Very low	26.9	Very low	140 Å²	140	137.9 Å²	137.9	73%	0.733	79%	0.787	S	S	*	*			trans	69.2	98.9	146.9	-65.8	159	0	0	0	120.9
204	F	25.1	Very low	27.3	Very low	208 Å²	208	135 Å²	135	91%	0.912	78%	0.78	S	S	*	*				38.7	121.2	122.8	-78.3	-99.8	0	0	0	120
205	G	24.9	Very low	27.5	Very low	70 Å²	70	134.4 Å²	134.4	72%	0.722	77%	0.772	S	S	*	*			trans	177.5	66.6	165.6	0	0	0	0	0	119.5
206	T	26.7	Very low	27.9	Very low	132 Å²	132	133.8 Å²	133.8	81%	0.81	76%	0.764	S	S	*	*			trans	35.6	101.6	150.4	56.8	0	0	0	0	120.6
207	S	24.5	Very low	28.3	Very low	112 Å²	112	138.3 Å²	138.3	78%	0.783	78%	0.778	S	S	*	*				30.4	111.9	128.5	61.6	0	0	0	0	120.3
208	R	25.7	Very low	28.4	Very low	250 Å²	250	137.4 Å²	137.4	94%	0.943	77%	0.774	S	S	*	*			trans	-153	163.5	146.7	-99.3	-156.4	165.7	156.2	-2.1	111.1
209	P	27.6	Very low	28.8	Very low	105 Å²	105	134.4 Å²	134.4	68%	0.682	77%	0.77	S	S	*	*			trans	-112.5	169.3	-147.4	32.2	-17.5	0	0	0	115.4	S211	P209-S211 PolarHBondContact O-N 2.83Å
210	S	25.6	Very low	29.1	Very low	123 Å²	123	137 Å²	137	86%	0.86	78%	0.775	S	S	*	*			trans	-51.8	117.3	168.8	52.5	0	0	0	0	112.3
211	S	29	Very low	29.2	Very low	118 Å²	118	136.1 Å²	136.1	83%	0.825	78%	0.777	S	S	*	*			trans	-116.5	79.1	179	62	0	0	0	0	111.9	P209	P209-S211 PolarHBondContact O-N 2.83Å
212	S	29.1	Very low	29.5	Very low	105 Å²	105	134.7 Å²	134.7	73%	0.734	78%	0.779	S	S	*	*			trans	-136	97.7	159.8	-172	0	0	0	0	108
213	S	34	Very low	29.6	Very low	104 Å²	104	132.7 Å²	132.7	73%	0.727	78%	0.78	S	S	*	*			trans	-146	119.3	-177.7	61.8	0	0	0	0	108.9	D215	S213-D215 PolarHBondContact O-N 3.46Å
214	S	34	Very low	29.9	Very low	100 Å²	100	132.4 Å²	132.4	70%	0.699	78%	0.784	S	S	*	*			trans	-39.2	126	-172.7	57.3	0	0	0	0	114.8	T216	S214-T216 PolarHBondContact O-N 3.47Å
215	D	28.9	Very low	30.4	Very low	117 Å²	117	128.7 Å²	128.7	63%	0.626	77%	0.774	S	S	*	*	S	Bend	trans	-71.5	97.5	176.2	-108.8	-50.7	0	0	0	111.5	S213 K218	S213-D215 PolarHBondContact O-N 3.46Å; D215-K218 VanDerWaalsContact OD1-CD 3.31Å; D215-K218 WeakPolarHBondContact OD1-CD 3.4Å; D215-K218 WeakPolarHBondContact OD1-CE 3.47Å; D215-K218 IonicContact OD1-NZ 2.7Å; D215-K218 PolarHBondContact OD1-NZ 3.13Å; D215-K218 IonicContact OD2-NZ 3.79Å; D215-K218 PolarHBondContact OD2-NZ 2.92Å
216	T	34.7	Very low	30.8	Very low	106 Å²	106	132.8 Å²	132.8	65%	0.65	77%	0.774	S	S	*	*			trans	-151.3	14.1	170	-13.6	0	0	0	0	114.6	S214	S214-T216 PolarHBondContact O-N 3.47Å
217	L	33.2	Very low	31.1	Very low	163 Å²	163	132.6 Å²	132.6	85%	0.853	77%	0.768	S	S	*	*			trans	-131.8	29.7	-177.6	-80.1	174.7	0	0	0	114.7
218	K	28.9	Very low	31.5	Very low	169 Å²	169	134.8 Å²	134.8	74%	0.735	77%	0.771	S	S	*	*			trans	-107.7	58.8	174.7	-68	176.9	-170.3	144.1	0	112.8	D215	D215-K218 VanDerWaalsContact OD1-CD 3.31Å; D215-K218 WeakPolarHBondContact OD1-CD 3.4Å; D215-K218 WeakPolarHBondContact OD1-CE 3.47Å; D215-K218 IonicContact OD1-NZ 2.7Å; D215-K218 PolarHBondContact OD1-NZ 3.13Å; D215-K218 IonicContact OD2-NZ 3.79Å; D215-K218 PolarHBondContact OD2-NZ 2.92Å
219	A	32.2	Very low	31.7	Very low	89 Å²	89	131.8 Å²	131.8	74%	0.736	77%	0.767	S	S	*	*			trans	-146.5	51.3	179.1	0	0	0	0	0	114.4
220	L	31.5	Very low	31.8	Very low	170 Å²	170	133.3 Å²	133.3	89%	0.89	78%	0.775	S	S	*	*	S	Bend	trans	-175.1	84.9	161.6	-106.8	161.8	0	0	0	112.5
221	K	32.2	Very low	32.1	Very low	211 Å²	211	134.1 Å²	134.1	92%	0.917	78%	0.775	S	S	*	*			trans	-176.2	106	154	-106.5	155.6	-173.8	174.9	0	112.2
222	G	32.6	Very low	32	Very low	73 Å²	73	133.9 Å²	133.9	75%	0.753	77%	0.771	S	S	*	*			trans	-84.8	150.4	158	0	0	0	0	0	110.5
223	P	33.3	Very low	31.9	Very low	121 Å²	121	134.3 Å²	134.3	79%	0.786	77%	0.773	S	S	*	*			trans	-96.7	148	-169.7	36	-34.9	0	0	0	114.4
224	T	34.3	Very low	31.8	Very low	134 Å²	134	136.5 Å²	136.5	82%	0.822	78%	0.776	S	S	*	*			trans	-162.2	122.4	144	-3.9	0	0	0	0	114.2
225	N	34.6	Very low	31.4	Very low	130 Å²	130	139.6 Å²	139.6	70%	0.695	79%	0.785	S	S	*	*			trans	37.9	111.2	147.5	-65.6	-6	0	0	0	124
226	Q	35.1	Very low	31.4	Very low	157 Å²	157	138.9 Å²	138.9	73%	0.734	79%	0.785	S	S	*	*				68.7	126	116.2	-66	-178.4	4.8	0	0	122.7
227	N	31.2	Very low	31.1	Very low	127 Å²	127	138.8 Å²	138.8	68%	0.679	79%	0.789	S	S	*	*			trans	62.8	103.1	138.5	-56.1	-1.7	0	0	0	120
228	N	33.2	Very low	30.9	Very low	158 Å²	158	138.2 Å²	138.2	85%	0.845	79%	0.785	S	S	*	*				-173.1	162.5	93.3	-94.9	-37	0	0	0	113.5
229	H	29.8	Very low	30.9	Very low	187 Å²	187	139.5 Å²	139.5	87%	0.866	79%	0.793	S	S	*	*			trans	-75.1	126.1	178.5	-69.6	-95	0	0	0	112.9
230	T	31.3	Very low	31.3	Very low	137 Å²	137	145.9 Å²	145.9	84%	0.84	80%	0.798	S	S	*	*			trans	-159.6	142.7	141.1	9.8	0	0	0	0	110.5
231	T	30	Very low	32.1	Very low	140 Å²	140	147.1 Å²	147.1	86%	0.859	80%	0.8	S	S	*	*			trans	-79.6	134.6	169	44.3	0	0	0	0	111.4
232	P	28.4	Very low	33.8	Very low	114 Å²	114	140.2 Å²	140.2	74%	0.74	78%	0.778	S	S	*	*			trans	-138.8	163.8	141.9	37.7	-24.8	0	0	0	114.2
233	S	25.7	Very low	36.4	Very low	113 Å²	113	139 Å²	139	79%	0.79	75%	0.751	S	S	*	*			trans	-65.2	147.9	169.4	53	0	0	0	0	113
234	L	32.8	Very low	38.8	Very low	151 Å²	151	140.1 Å²	140.1	79%	0.791	74%	0.743	S	S	*	*			trans	-119.7	73.6	175.4	-98.2	161.8	0	0	0	112.7	T236	L234-T236 WeakPolarHBondContact CD2-OG1 3.23Å
235	N	24.7	Very low	41.4	Very low	165 Å²	165	138.1 Å²	138.1	88%	0.882	73%	0.731	S	S	*	*			trans	-91.9	85.2	159.5	-100.8	-0.3	0	0	0	109
236	T	30.6	Very low	44	Very low	102 Å²	102	132.6 Å²	132.6	63%	0.626	71%	0.705	S	S	*	*			trans	-144.9	92.3	171.1	52.1	0	0	0	0	112.6	L234	L234-T236 WeakPolarHBondContact CD2-OG1 3.23Å
237	S	26.8	Very low	46.8	Very low	103 Å²	103	125.2 Å²	125.2	72%	0.72	67%	0.671	S	S	*	*			trans	25.7	114.4	132.7	59.6	0	0	0	0	118.9
238	I	29	Very low	49.8	Very low	152 Å²	152	122.4 Å²	122.4	78%	0.779	66%	0.658	S	S	*	*				-161.9	87.8	102.6	-84.9	146.1	0	0	0	106.7	R240	I238-R240 HydrophobicContact CG2-CG 4.2Å
239	E	30.1	Very low	52.6	Low	195 Å²	195	115.8 Å²	115.8	91%	0.911	62%	0.623	S	S	*	*			trans	-83.4	109.1	158.1	-69.1	-172.3	150.2	0	0	107.1	E241	E239-E241 PolarHBondContact O-N 3.48Å
240	R	39.7	Very low	55.6	Low	223 Å²	223	110.5 Å²	110.5	84%	0.842	60%	0.604	S	S	*	*			trans	-78	116.2	162.6	-79.9	-179	170.2	161.8	-3.2	106.7	I238 S242	I238-R240 HydrophobicContact CG2-CG 4.2Å; R240-S242 PolarHBondContact O-N 3.03Å; R240-S242 VanDerWaalsContact O-N 3.14Å
241	E	49.1	Very low	58.5	Low	196 Å²	196	106.8 Å²	106.8	92%	0.916	58%	0.577	S	S	*	*			trans	-44.4	118.6	179.3	-63.7	179.2	131	0	0	110.7	E239	E239-E241 PolarHBondContact O-N 3.48Å
242	S	68.3	Low	61.5	Low	66 Å²	66	100.1 Å²	100.1	46%	0.462	54%	0.536	S	S	.	.			trans	-71.1	139.6	175.6	49.9	0	0	0	0	109.5	R240 K244	R240-S242 PolarHBondContact O-N 3.03Å; R240-S242 VanDerWaalsContact O-N 3.14Å; S242-K244 PolarHBondContact O-N 2.94Å
243	R	85.4	Confident	64.6	Low	48 Å²	48	98 Å²	98	18%	0.181	52%	0.516	C	S	.	.			trans	-62.4	126.3	172.9	-177.2	-179	163.8	129.4	1.3	108.4	T245 G246 E251 S274 S278 A281	R243-T245 PolarHBondContact NE-O 3.42Å; R243-T245 PolarHBondContact NE-OG1 3.14Å; R243-G246 PolarHBondContact NH2-O 3.08Å; R243-E251 IonicContact CZ-OE1 3.35Å; R243-E251 IonicContact CZ-OE2 3.69Å; R243-E251 IonicContact NH1-OE1 2.72Å; R243-E251 PolarHBondContact NH1-OE1 2.55Å; R243-E251 IonicContact NH1-OE2 3.81Å; R243-E251 VanDerWaalsContact NH2-CD 3.28Å; R243-E251 IonicContact NH2-OE1 2.72Å; R243-E251 PolarHBondContact NH2-OE1 3.38Å; R243-E251 IonicContact NH2-OE2 3.84Å; R243-E251 PolarHBondContact NH2-OE2 2.94Å; R243-S274 WeakPolarHBondContact CD-OG 3.33Å; R243-S278 WeakPolarHBondContact O-CB 3.45Å; R243-S278 PolarHBondContact O-OG 2.85Å; R243-A281 HydrophobicContact CB-CB 4.23Å; R243-A281 HydrophobicContact CG-CB 4.06Å; R243-A281 WeakPolarHBondContact O-CB 3.48Å; R243-A281 PolarHBondContact O-N 3Å
244	K	85.2	Confident	67.7	Low	144 Å²	144	98.3 Å²	98.3	63%	0.626	50%	0.503	S	S	*	.			trans	-102.3	-19.3	175.9	-61.9	-163.3	172.1	-167.5	0	114.2	S242 D280	S242-K244 PolarHBondContact O-N 2.94Å; K244-D280 HydrophobicContact CB-CB 4.18Å; K244-D280 VanDerWaalsContact CE-OD2 3.31Å; K244-D280 WeakPolarHBondContact CE-OD2 3.35Å; K244-D280 HydrophobicContact CG-CB 3.99Å; K244-D280 IonicContact NZ-OD2 3.87Å
245	T	88.6	Confident	70.5	Confident	92 Å²	92	91.3 Å²	91.3	56%	0.564	47%	0.467	S	S	*	.	S	Bend	trans	-76.5	134.4	174.3	46.2	0	0	0	0	110.6	R243 A281	R243-T245 PolarHBondContact NE-O 3.42Å; R243-T245 PolarHBondContact NE-OG1 3.14Å; T245-A281 VanDerWaalsContact O-CB 3.24Å; T245-A281 WeakPolarHBondContact O-CB 3.46Å
246	G	89.9	Confident	73.7	Confident	15 Å²	15	83.5 Å²	83.5	16%	0.155	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-64.6	164.2	171.5	0	0	0	0	0	113.6	R243 A281 S284	R243-G246 PolarHBondContact NH2-O 3.08Å; G246-A281 WeakPolarHBondContact CA-O 3.48Å; G246-S284 WeakPolarHBondContact CA-O 3.37Å
247	L	93.4	Very high	76.6	Confident	2 Å²	2	84.7 Å²	84.7	1%	0.01	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-81.9	137.2	167.4	-176.8	59.7	0	0	0	109.6	E251 L252 L271 L272 V275 S285 F286	L247-E251 HydrophobicContact CD1-CB 4.24Å; L247-E251 HydrophobicContact CD1-CG 4.24Å; L247-L252 HydrophobicContact CD1-CB 4.23Å; L247-L271 HydrophobicContact CD1-CD1 4.1Å; L247-L271 HydrophobicContact CD1-CD2 3.88Å; L247-L271 HydrophobicContact CD1-CG 4.13Å; L247-L272 HydrophobicContact CD2-CD2 4.24Å; L247-V275 HydrophobicContact CB-CG1 4.14Å; L247-V275 HydrophobicContact CB-CG2 4.13Å; L247-S285 PolarHBondContact N-OG 3.38Å; L247-S285 WeakPolarHBondContact O-CA 3.39Å; L247-F286 HydrophobicContact CB-CE2 4.33Å; L247-F286 HydrophobicContact CB-CZ 4.32Å; L247-F286 HydrophobicContact CD2-CE2 4.01Å; L247-F286 HydrophobicContact CD2-CZ 3.67Å; L247-F286 HydrophobicContact CG-CE1 4.43Å; L247-F286 HydrophobicContact CG-CE2 4.23Å; L247-F286 HydrophobicContact CG-CZ 3.77Å; L247-F286 PolarHBondContact O-N 3.15Å
248	T	93.7	Very high	79.5	Confident	67 Å²	67	83.9 Å²	83.9	41%	0.411	41%	0.41	S	S	.	.			trans	-113.6	155.8	170.6	69.8	0	0	0	0	110.8	T250 E251 L252	T248-T250 PolarHBondContact O-N 2.91Å; T248-T250 PolarHBondContact OG1-OG1 3.12Å; T248-E251 PolarHBondContact O-N 3.49Å; T248-E251 VanDerWaalsContact O-N 3.11Å; T248-E251 PolarHBondContact OG1-N 3.06Å; T248-L252 PolarHBondContact O-N 3.02Å
249	L	91.9	Very high	82.4	Confident	20 Å²	20	76.7 Å²	76.7	11%	0.105	37%	0.373	C	S	.	.	H	α-helix	trans	-55.9	-38.5	175.3	-177.7	61	0	0	0	111.8	E251 L252 Q253 F286 D394 K397 A398 M401	L249-E251 PolarHBondContact O-N 3.36Å; L249-L252 PolarHBondContact O-N 3.42Å; L249-Q253 WeakPolarHBondContact O-CB 3.19Å; L249-Q253 WeakPolarHBondContact O-CG 3.41Å; L249-Q253 PolarHBondContact O-N 3.3Å; L249-F286 HydrophobicContact CB-CE1 4.42Å; L249-D394 HydrophobicContact CB-CB 4.31Å; L249-D394 HydrophobicContact CD2-CB 4.01Å; L249-K397 HydrophobicContact CD1-CB 4.17Å; L249-K397 HydrophobicContact CD2-CB 4.29Å; L249-K397 HydrophobicContact CD2-CD 3.92Å; L249-A398 HydrophobicContact CD1-CB 4.09Å; L249-M401 HydrophobicContact CD1-SD 4.3Å
250	T	92.3	Very high	85.1	Confident	76 Å²	76	74.5 Å²	74.5	47%	0.466	36%	0.36	S	S	.	.	H	α-helix	trans	-72	-25.6	179.4	76.6	0	0	0	0	114.2	T248 K254	T248-T250 PolarHBondContact O-N 2.91Å; T248-T250 PolarHBondContact OG1-OG1 3.12Å; T250-K254 VanDerWaalsContact O-CD 3.26Å; T250-K254 WeakPolarHBondContact O-CD 3.48Å; T250-K254 WeakPolarHBondContact O-CE 3.27Å; T250-K254 VanDerWaalsContact O-CG 3.27Å; T250-K254 WeakPolarHBondContact O-CG 3.19Å; T250-K254 PolarHBondContact O-N 2.91Å
251	E	92.8	Very high	87.5	Confident	59 Å²	59	72.5 Å²	72.5	28%	0.276	36%	0.358	S	S	.	.	H	α-helix	trans	-76.9	-44.2	173.2	-176.4	-178.4	-170.4	0	0	110.5	R243 L247 T248 L249 Q253 K254 A255 L271	R243-E251 IonicContact CZ-OE1 3.35Å; R243-E251 IonicContact CZ-OE2 3.69Å; R243-E251 IonicContact NH1-OE1 2.72Å; R243-E251 PolarHBondContact NH1-OE1 2.55Å; R243-E251 IonicContact NH1-OE2 3.81Å; R243-E251 VanDerWaalsContact NH2-CD 3.28Å; R243-E251 IonicContact NH2-OE1 2.72Å; R243-E251 PolarHBondContact NH2-OE1 3.38Å; R243-E251 IonicContact NH2-OE2 3.84Å; R243-E251 PolarHBondContact NH2-OE2 2.94Å; L247-E251 HydrophobicContact CD1-CB 4.24Å; L247-E251 HydrophobicContact CD1-CG 4.24Å; T248-E251 PolarHBondContact O-N 3.49Å; T248-E251 VanDerWaalsContact O-N 3.11Å; T248-E251 PolarHBondContact OG1-N 3.06Å; L249-E251 PolarHBondContact O-N 3.36Å; E251-Q253 VanDerWaalsContact C-N 3.35Å; E251-Q253 PolarHBondContact O-N 3.3Å; E251-K254 PolarHBondContact O-N 2.92Å; E251-A255 PolarHBondContact O-N 3.31Å; E251-L271 HydrophobicContact CG-CD2 4.22Å; E251-L271 WeakPolarHBondContact OE1-CD1 3.35Å
252	L	92.9	Very high	89.2	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-61.1	-42.9	175.3	-178.4	63.7	0	0	0	111.9	L247 T248 L249 K254 A255 I256 L268 A398 I402	L247-L252 HydrophobicContact CD1-CB 4.23Å; T248-L252 PolarHBondContact O-N 3.02Å; L249-L252 PolarHBondContact O-N 3.42Å; L252-K254 PolarHBondContact O-N 3.41Å; L252-A255 PolarHBondContact O-N 3.22Å; L252-I256 HydrophobicContact CD1-CD1 4Å; L252-I256 HydrophobicContact CD1-CG1 4.32Å; L252-I256 HydrophobicContact CG-CD1 3.9Å; L252-I256 WeakPolarHBondContact O-CG1 3.38Å; L252-I256 PolarHBondContact O-N 2.98Å; L252-L268 HydrophobicContact CD1-CD1 3.53Å; L252-A398 HydrophobicContact CD2-CB 3.39Å; L252-I402 HydrophobicContact CD1-CD1 4.15Å; L252-I402 HydrophobicContact CD1-CG1 4.22Å; L252-I402 HydrophobicContact CD2-CD1 3.95Å; L252-I402 HydrophobicContact CD2-CG1 4.19Å
253	Q	93.1	Very high	89.8	Confident	68 Å²	68	68.5 Å²	68.5	32%	0.318	35%	0.352	S	S	.	.	H	α-helix	trans	-54	-51.1	173.8	-80.1	166	-12.6	0	0	111.3	L249 E251 A255 I256 E257 M401	L249-Q253 WeakPolarHBondContact O-CB 3.19Å; L249-Q253 WeakPolarHBondContact O-CG 3.41Å; L249-Q253 PolarHBondContact O-N 3.3Å; E251-Q253 VanDerWaalsContact C-N 3.35Å; E251-Q253 PolarHBondContact O-N 3.3Å; Q253-A255 VanDerWaalsContact C-N 3.34Å; Q253-A255 PolarHBondContact O-N 2.65Å; Q253-I256 PolarHBondContact O-N 2.74Å; Q253-E257 WeakPolarHBondContact O-CB 3.22Å; Q253-E257 WeakPolarHBondContact O-CG 3.33Å; Q253-E257 PolarHBondContact O-N 3.15Å; Q253-M401 HydrophobicContact CB-CE 4.48Å; Q253-M401 HydrophobicContact CG-CE 3.76Å; Q253-M401 HydrophobicContact CG-SD 3.77Å
254	K	92.5	Very high	89.8	Confident	121 Å²	121	72 Å²	72	53%	0.526	37%	0.37	S	S	.	.	H	α-helix	trans	-61.9	-39.1	177.8	-68.9	163.2	-168.7	164.1	0	112.5	T250 E251 L252 E257 M258	T250-K254 VanDerWaalsContact O-CD 3.26Å; T250-K254 WeakPolarHBondContact O-CD 3.48Å; T250-K254 WeakPolarHBondContact O-CE 3.27Å; T250-K254 VanDerWaalsContact O-CG 3.27Å; T250-K254 WeakPolarHBondContact O-CG 3.19Å; T250-K254 PolarHBondContact O-N 2.91Å; E251-K254 PolarHBondContact O-N 2.92Å; L252-K254 PolarHBondContact O-N 3.41Å; K254-E257 PolarHBondContact O-N 3.29Å; K254-M258 WeakPolarHBondContact O-CB 3.3Å; K254-M258 WeakPolarHBondContact O-CE 3.34Å; K254-M258 WeakPolarHBondContact O-CG 3.21Å; K254-M258 PolarHBondContact O-N 3.16Å
255	A	91.4	Very high	89.9	Confident	3 Å²	3	66.7 Å²	66.7	3%	0.025	35%	0.346	C	S	.	.	H	α-helix	trans	-64.7	-40.5	176.3	0	0	0	0	0	112.3	E251 L252 Q253 G259 L268 L271	E251-A255 PolarHBondContact O-N 3.31Å; L252-A255 PolarHBondContact O-N 3.22Å; Q253-A255 VanDerWaalsContact C-N 3.34Å; Q253-A255 PolarHBondContact O-N 2.65Å; A255-G259 PolarHBondContact O-N 2.74Å; A255-L268 HydrophobicContact CB-CB 4.43Å; A255-L268 HydrophobicContact CB-CD1 3.99Å; A255-L271 HydrophobicContact CB-CD2 3.65Å
256	I	90.9	Very high	89.9	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-70.7	-38.8	176.5	-68.9	173.4	0	0	0	111.4	L252 Q253 G259 K260 L268 M401 I402 I405	L252-I256 HydrophobicContact CD1-CD1 4Å; L252-I256 HydrophobicContact CD1-CG1 4.32Å; L252-I256 HydrophobicContact CG-CD1 3.9Å; L252-I256 WeakPolarHBondContact O-CG1 3.38Å; L252-I256 PolarHBondContact O-N 2.98Å; Q253-I256 PolarHBondContact O-N 2.74Å; I256-G259 PolarHBondContact O-N 3.07Å; I256-K260 HydrophobicContact CG2-CD 4.16Å; I256-K260 WeakPolarHBondContact O-CB 3.48Å; I256-K260 WeakPolarHBondContact O-CG 3.48Å; I256-K260 PolarHBondContact O-N 3.47Å; I256-L268 HydrophobicContact CG1-CD1 4.24Å; I256-L268 HydrophobicContact CG1-CD2 3.91Å; I256-M401 HydrophobicContact CB-CE 4.48Å; I256-M401 HydrophobicContact CD1-CB 3.77Å; I256-M401 HydrophobicContact CD1-CE 4.06Å; I256-M401 HydrophobicContact CG2-CE 4.34Å; I256-I402 HydrophobicContact CD1-CG1 4.43Å; I256-I405 HydrophobicContact CD1-CD1 4.46Å; I256-I405 HydrophobicContact CG1-CD1 4.34Å
257	E	90.8	Very high	89.9	Confident	126 Å²	126	67.2 Å²	67.2	59%	0.589	35%	0.351	S	S	*	.	H	α-helix	trans	-62.2	-44.2	173	-75.5	174.1	-179.2	0	0	112.2	Q253 K254 K260 K261	Q253-E257 WeakPolarHBondContact O-CB 3.22Å; Q253-E257 WeakPolarHBondContact O-CG 3.33Å; Q253-E257 PolarHBondContact O-N 3.15Å; K254-E257 PolarHBondContact O-N 3.29Å; E257-K260 PolarHBondContact O-N 3.08Å; E257-K261 VanDerWaalsContact O-CB 3.27Å; E257-K261 WeakPolarHBondContact O-CB 3.36Å; E257-K261 PolarHBondContact O-N 3.41Å
258	M	89.7	Confident	89.8	Confident	87 Å²	87	67.1 Å²	67.1	43%	0.429	35%	0.35	S	S	.	.	H	α-helix	trans	-63.4	-41.5	175.2	-73.9	-173.7	-69.9	0	0	111.9	K254 K261 N262	K254-M258 WeakPolarHBondContact O-CB 3.3Å; K254-M258 WeakPolarHBondContact O-CE 3.34Å; K254-M258 WeakPolarHBondContact O-CG 3.21Å; K254-M258 PolarHBondContact O-N 3.16Å; M258-K261 PolarHBondContact O-N 2.84Å; M258-N262 WeakPolarHBondContact O-CB 3.43Å; M258-N262 VanDerWaalsContact O-CG 3.29Å; M258-N262 PolarHBondContact O-N 2.82Å
259	G	87.9	Confident	89.6	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.01	34%	0.342	C	S	.	.	H	α-helix	trans	-59.6	-51.1	173.8	0	0	0	0	0	112.4	A255 I256 K261 N262 G263	A255-G259 PolarHBondContact O-N 2.74Å; I256-G259 PolarHBondContact O-N 3.07Å; G259-K261 VanDerWaalsContact C-N 3.28Å; G259-K261 PolarHBondContact O-N 2.69Å; G259-N262 PolarHBondContact O-N 3.23Å; G259-G263 PolarHBondContact O-N 3.01Å
260	K	88.6	Confident	89.7	Confident	149 Å²	149	68.9 Å²	68.9	65%	0.648	36%	0.363	S	S	*	.	H	α-helix	trans	-59.4	-34.6	176.2	-73.7	177	178.8	-180	0	113.4	I256 E257 W265	I256-K260 HydrophobicContact CG2-CD 4.16Å; I256-K260 WeakPolarHBondContact O-CB 3.48Å; I256-K260 WeakPolarHBondContact O-CG 3.48Å; I256-K260 PolarHBondContact O-N 3.47Å; E257-K260 PolarHBondContact O-N 3.08Å; K260-W265 HydrophobicContact CG-CH2 3.8Å; K260-W265 HydrophobicContact CG-CZ3 4.33Å
261	K	88.5	Confident	89.7	Confident	180 Å²	180	66 Å²	66	78%	0.783	35%	0.345	S	S	*	.	H	α-helix	trans	-76.6	-38.2	179.7	-178.8	178.9	176	-177.4	0	113	E257 M258 G259	E257-K261 VanDerWaalsContact O-CB 3.27Å; E257-K261 WeakPolarHBondContact O-CB 3.36Å; E257-K261 PolarHBondContact O-N 3.41Å; M258-K261 PolarHBondContact O-N 2.84Å; G259-K261 VanDerWaalsContact C-N 3.28Å; G259-K261 PolarHBondContact O-N 2.69Å
262	N	85	Confident	89.7	Confident	118 Å²	118	63.2 Å²	63.2	63%	0.631	33%	0.332	S	S	*	.	H	α-helix	trans	-93.9	-18.9	-172.8	-64.7	-5	0	0	0	113.2	M258 G259 E264	M258-N262 WeakPolarHBondContact O-CB 3.43Å; M258-N262 VanDerWaalsContact O-CG 3.29Å; M258-N262 PolarHBondContact O-N 2.82Å; G259-N262 PolarHBondContact O-N 3.23Å; N262-E264 VanDerWaalsContact C-N 3.28Å
263	G	81.2	Confident	89.7	Confident	61 Å²	61	66.1 Å²	66.1	63%	0.629	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	18.1	-171.4	0	0	0	0	0	113.5	G259	G259-G263 PolarHBondContact O-N 3.01Å
264	E	85.6	Confident	89.7	Confident	122 Å²	122	64.7 Å²	64.7	57%	0.57	34%	0.344	S	S	*	.			trans	-142.3	124.2	-177.9	-166.3	-168	-111.1	0	0	111	N262 S266	N262-E264 VanDerWaalsContact C-N 3.28Å; E264-S266 VanDerWaalsContact C-N 3.29Å; E264-S266 PolarHBondContact O-N 3.42Å; E264-S266 WeakPolarHBondContact OE2-CB 3.33Å; E264-S266 PolarHBondContact OE2-OG 3.48Å
265	W	88	Confident	89.7	Confident	31 Å²	31	58.9 Å²	58.9	12%	0.117	32%	0.319	C	S	.	.			trans	-86.8	9.4	-175.4	-52.8	99.9	0	0	0	114.3	K260 C267 L268 I269 I405 E407	K260-W265 HydrophobicContact CG-CH2 3.8Å; K260-W265 HydrophobicContact CG-CZ3 4.33Å; W265-C267 VanDerWaalsContact C-N 3.3Å; W265-C267 PolarHBondContact O-N 3.19Å; W265-L268 HydrophobicContact CE3-CD2 3.99Å; W265-L268 PolarHBondContact O-N 3.31Å; W265-I269 HydrophobicContact CB-CD1 4.07Å; W265-I269 HydrophobicContact CB-CG1 4.38Å; W265-I269 WeakPolarHBondContact O-CB 3.36Å; W265-I269 WeakPolarHBondContact O-CG1 3.2Å; W265-I269 PolarHBondContact O-N 3.12Å; W265-I405 HydrophobicContact CD2-CG2 4.2Å; W265-I405 HydrophobicContact CE3-CD1 4.3Å; W265-I405 HydrophobicContact CE3-CG2 4.37Å; W265-I405 HydrophobicContact CH2-CG1 4.39Å; W265-I405 HydrophobicContact CH2-CG2 3.95Å; W265-I405 HydrophobicContact CZ2-CG2 3.76Å; W265-I405 HydrophobicContact CZ3-CD1 4.08Å; W265-I405 HydrophobicContact CZ3-CG1 4.32Å; W265-I405 HydrophobicContact CZ3-CG2 4.26Å; W265-E407 PolarHBondContact NE1-OE2 3.08Å
266	S	87.8	Confident	89.8	Confident	59 Å²	59	59 Å²	59	41%	0.413	32%	0.319	S	S	.	.	H	α-helix	trans	-52.9	-42.5	-174.6	58.5	0	0	0	0	113.7	E264 S270	E264-S266 VanDerWaalsContact C-N 3.29Å; E264-S266 PolarHBondContact O-N 3.42Å; E264-S266 WeakPolarHBondContact OE2-CB 3.33Å; E264-S266 PolarHBondContact OE2-OG 3.48Å; S266-S270 VanDerWaalsContact O-CB 3.32Å; S266-S270 WeakPolarHBondContact O-CB 3.32Å; S266-S270 PolarHBondContact O-N 3.11Å
267	C	89.6	Confident	89.9	Confident	59 Å²	59	59.5 Å²	59.5	40%	0.399	32%	0.323	S	S	.	.	H	α-helix	trans	-63.2	-44.9	176.5	-176.4	0	0	0	0	112.2	W265 S270 L271	W265-C267 VanDerWaalsContact C-N 3.3Å; W265-C267 PolarHBondContact O-N 3.19Å; C267-S270 PolarHBondContact O-N 3Å; C267-L271 WeakPolarHBondContact O-CB 3.39Å; C267-L271 PolarHBondContact O-N 3Å
268	L	91.2	Very high	90	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-68.6	-42	178.9	178.4	62.2	0	0	0	111.9	L252 A255 I256 W265 L271 L272 I405 I411	L252-L268 HydrophobicContact CD1-CD1 3.53Å; A255-L268 HydrophobicContact CB-CB 4.43Å; A255-L268 HydrophobicContact CB-CD1 3.99Å; I256-L268 HydrophobicContact CG1-CD1 4.24Å; I256-L268 HydrophobicContact CG1-CD2 3.91Å; W265-L268 HydrophobicContact CE3-CD2 3.99Å; W265-L268 PolarHBondContact O-N 3.31Å; L268-L271 PolarHBondContact O-N 2.91Å; L268-L272 HydrophobicContact CD1-CD1 3.79Å; L268-L272 HydrophobicContact CD1-CG 4.04Å; L268-L272 HydrophobicContact CG-CD1 3.88Å; L268-L272 HydrophobicContact CG-CG 4.49Å; L268-L272 WeakPolarHBondContact O-CB 3.26Å; L268-L272 WeakPolarHBondContact O-CG 3.32Å; L268-L272 PolarHBondContact O-N 2.8Å; L268-I405 HydrophobicContact CD2-CD1 3.55Å; L268-I411 HydrophobicContact CD2-CD1 3.8Å
269	I	91.3	Very high	90.2	Very high	46 Å²	46	51 Å²	51	24%	0.236	28%	0.282	C	S	.	.	H	α-helix	trans	-60.2	-46.1	175.1	-73.9	169.7	0	0	0	110.5	W265 N273 N410 I411 T414	W265-I269 HydrophobicContact CB-CD1 4.07Å; W265-I269 HydrophobicContact CB-CG1 4.38Å; W265-I269 WeakPolarHBondContact O-CB 3.36Å; W265-I269 WeakPolarHBondContact O-CG1 3.2Å; W265-I269 PolarHBondContact O-N 3.12Å; I269-N273 VanDerWaalsContact O-CB 3.23Å; I269-N273 WeakPolarHBondContact O-CB 3.32Å; I269-N273 PolarHBondContact O-N 2.82Å; I269-N410 HydrophobicContact CD1-CB 4.02Å; I269-I411 HydrophobicContact CG1-CG1 3.98Å; I269-T414 HydrophobicContact CG2-CG2 4.01Å
270	S	92	Very high	90.4	Very high	77 Å²	77	52.7 Å²	52.7	54%	0.538	29%	0.291	S	S	.	.	H	α-helix	trans	-63.6	-45.1	176.5	-169.8	0	0	0	0	112.1	S266 C267 N273 S274	S266-S270 VanDerWaalsContact O-CB 3.32Å; S266-S270 WeakPolarHBondContact O-CB 3.32Å; S266-S270 PolarHBondContact O-N 3.11Å; C267-S270 PolarHBondContact O-N 3Å; S270-N273 PolarHBondContact O-N 3.12Å; S270-S274 WeakPolarHBondContact O-CB 3.47Å; S270-S274 PolarHBondContact O-N 3.33Å
271	L	92.5	Very high	90.7	Very high	16 Å²	16	45.6 Å²	45.6	8%	0.084	26%	0.26	C	S	.	.	H	α-helix	trans	-57.8	-55.4	176.4	175.5	59	0	0	0	111.5	L247 E251 A255 C267 L268 N273 S274 V275	L247-L271 HydrophobicContact CD1-CD1 4.1Å; L247-L271 HydrophobicContact CD1-CD2 3.88Å; L247-L271 HydrophobicContact CD1-CG 4.13Å; E251-L271 HydrophobicContact CG-CD2 4.22Å; E251-L271 WeakPolarHBondContact OE1-CD1 3.35Å; A255-L271 HydrophobicContact CB-CD2 3.65Å; C267-L271 WeakPolarHBondContact O-CB 3.39Å; C267-L271 PolarHBondContact O-N 3Å; L268-L271 PolarHBondContact O-N 2.91Å; L271-N273 PolarHBondContact O-N 2.86Å; L271-S274 PolarHBondContact O-N 3.07Å; L271-S274 VanDerWaalsContact O-N 3.1Å; L271-S274 PolarHBondContact O-OG 2.78Å; L271-V275 HydrophobicContact CD1-CG2 4.26Å; L271-V275 WeakPolarHBondContact O-CG2 3.46Å; L271-V275 PolarHBondContact O-N 3.31Å; L271-V275 VanDerWaalsContact O-N 3.07Å
272	L	92.4	Very high	91	Very high	1 Å²	1	37 Å²	37	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-63.1	-41.4	-178.7	-67.6	168.9	0	0	0	111.5	L247 L268 S274 V275 F276 I402 I411 L415	L247-L272 HydrophobicContact CD2-CD2 4.24Å; L268-L272 HydrophobicContact CD1-CD1 3.79Å; L268-L272 HydrophobicContact CD1-CG 4.04Å; L268-L272 HydrophobicContact CG-CD1 3.88Å; L268-L272 HydrophobicContact CG-CG 4.49Å; L268-L272 WeakPolarHBondContact O-CB 3.26Å; L268-L272 WeakPolarHBondContact O-CG 3.32Å; L268-L272 PolarHBondContact O-N 2.8Å; L272-S274 VanDerWaalsContact C-N 3.31Å; L272-S274 PolarHBondContact O-N 3.41Å; L272-V275 PolarHBondContact O-N 3.37Å; L272-F276 HydrophobicContact CB-CD2 4.47Å; L272-F276 HydrophobicContact CD2-CD2 4.13Å; L272-F276 HydrophobicContact CD2-CE2 3.78Å; L272-F276 WeakPolarHBondContact O-CB 3.35Å; L272-F276 WeakPolarHBondContact O-CD2 3.5Å; L272-F276 PolarHBondContact O-N 2.85Å; L272-I402 HydrophobicContact CD1-CD1 4.49Å; L272-I402 HydrophobicContact CD2-CD1 4.18Å; L272-I411 HydrophobicContact CD1-CG2 3.57Å; L272-L415 HydrophobicContact CB-CD2 4.07Å; L272-L415 HydrophobicContact CD2-CD2 4.38Å
273	N	92.9	Very high	91.5	Very high	61 Å²	61	31.4 Å²	31.4	33%	0.326	19%	0.193	S	C	.	.	H	α-helix	trans	-60.1	-39.5	173.1	-179.9	74.9	0	0	0	112.6	I269 S270 L271 V275 S277 T414	I269-N273 VanDerWaalsContact O-CB 3.23Å; I269-N273 WeakPolarHBondContact O-CB 3.32Å; I269-N273 PolarHBondContact O-N 2.82Å; S270-N273 PolarHBondContact O-N 3.12Å; L271-N273 PolarHBondContact O-N 2.86Å; N273-V275 VanDerWaalsContact C-N 3.35Å; N273-S277 WeakPolarHBondContact O-CB 3.41Å; N273-S277 PolarHBondContact O-N 3.37Å; N273-S277 PolarHBondContact O-OG 2.95Å; N273-T414 HydrophobicContact CB-CG2 3.71Å
274	S	93.3	Very high	92.1	Very high	37 Å²	37	29.5 Å²	29.5	26%	0.259	17%	0.17	S	C	.	.	H	α-helix	trans	-68.7	-31.6	179.3	77.5	0	0	0	0	113.4	R243 S270 L271 L272 S278	R243-S274 WeakPolarHBondContact CD-OG 3.33Å; S270-S274 WeakPolarHBondContact O-CB 3.47Å; S270-S274 PolarHBondContact O-N 3.33Å; L271-S274 PolarHBondContact O-N 3.07Å; L271-S274 VanDerWaalsContact O-N 3.1Å; L271-S274 PolarHBondContact O-OG 2.78Å; L272-S274 VanDerWaalsContact C-N 3.31Å; L272-S274 PolarHBondContact O-N 3.41Å; S274-S278 WeakPolarHBondContact O-CB 3.39Å
275	V	93.9	Very high	92.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-84.5	-57.1	179.5	174.9	0	0	0	0	110.6	L247 L271 L272 N273 S277 S278 A281 L282	L247-V275 HydrophobicContact CB-CG1 4.14Å; L247-V275 HydrophobicContact CB-CG2 4.13Å; L271-V275 HydrophobicContact CD1-CG2 4.26Å; L271-V275 WeakPolarHBondContact O-CG2 3.46Å; L271-V275 PolarHBondContact O-N 3.31Å; L271-V275 VanDerWaalsContact O-N 3.07Å; L272-V275 PolarHBondContact O-N 3.37Å; N273-V275 VanDerWaalsContact C-N 3.35Å; V275-S277 PolarHBondContact O-N 3.08Å; V275-S277 VanDerWaalsContact O-N 3.15Å; V275-S278 PolarHBondContact O-N 2.89Å; V275-S278 VanDerWaalsContact O-O 3.1Å; V275-A281 HydrophobicContact CB-CB 4.36Å; V275-A281 HydrophobicContact CG1-CB 4.17Å; V275-A281 HydrophobicContact CG2-CB 4.36Å; V275-L282 HydrophobicContact CG1-CD1 4.09Å
276	F	93.1	Very high	92.8	Very high	4 Å²	4	23 Å²	23	2%	0.018	14%	0.14	C	C	.	.	H	α-helix	trans	-74	-4.2	-173.1	-75.7	-97.3	0	0	0	114.6	L272 L282 W399 L415 A418 V419 L422 I461 L462	L272-F276 HydrophobicContact CB-CD2 4.47Å; L272-F276 HydrophobicContact CD2-CD2 4.13Å; L272-F276 HydrophobicContact CD2-CE2 3.78Å; L272-F276 WeakPolarHBondContact O-CB 3.35Å; L272-F276 WeakPolarHBondContact O-CD2 3.5Å; L272-F276 PolarHBondContact O-N 2.85Å; F276-L282 HydrophobicContact CD1-CD1 3.79Å; F276-L282 HydrophobicContact CD1-CD2 4.08Å; F276-L282 HydrophobicContact CD2-CD1 4.4Å; F276-L282 HydrophobicContact CE1-CD1 3.67Å; F276-L282 HydrophobicContact CE1-CD2 4.5Å; F276-L282 HydrophobicContact CE2-CD1 4.29Å; F276-L282 HydrophobicContact CG-CD1 4.16Å; F276-L282 HydrophobicContact CZ-CD1 3.92Å; F276-W399 AromaticContact CE1-CH2 3.73Å; F276-W399 HydrophobicContact CE1-CH2 3.73Å; F276-W399 AromaticContact CE1-CZ2 3.78Å; F276-W399 HydrophobicContact CE1-CZ2 3.78Å; F276-W399 HydrophobicContact CE2-CH2 4.32Å; F276-W399 AromaticContact CZ-CH2 3.43Å; F276-W399 HydrophobicContact CZ-CH2 3.43Å; F276-W399 VanDerWaalsContact CZ-CH2 3.43Å; F276-W399 AromaticContact CZ-CZ2 3.55Å; F276-W399 HydrophobicContact CZ-CZ2 3.55Å; F276-L415 HydrophobicContact CB-CD2 4.23Å; F276-L415 HydrophobicContact CD1-CD2 4.04Å; F276-L415 HydrophobicContact CD2-CD2 3.59Å; F276-L415 HydrophobicContact CE1-CD2 4.3Å; F276-L415 HydrophobicContact CE2-CD2 3.9Å; F276-L415 HydrophobicContact CG-CD2 3.68Å; F276-L415 HydrophobicContact CZ-CD2 4.25Å; F276-A418 HydrophobicContact CB-CB 3.81Å; F276-A418 CarbonylContact O-C 3.53Å; F276-A418 VanDerWaalsContact O-C 3.27Å; F276-V419 HydrophobicContact CB-CG2 4.24Å; F276-V419 HydrophobicContact CD1-CG2 3.93Å; F276-L422 WeakPolarHBondContact O-CB 3.38Å; F276-I461 HydrophobicContact CE1-CG2 4.21Å; F276-I461 HydrophobicContact CZ-CG2 4.22Å; F276-L462 HydrophobicContact CD1-CD2 4.13Å; F276-L462 HydrophobicContact CE1-CD2 4.31Å
277	S	92.5	Very high	93	Very high	14 Å²	14	22.5 Å²	22.5	10%	0.098	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	9.8	167.5	72.2	0	0	0	0	114.3	N273 V275	N273-S277 WeakPolarHBondContact O-CB 3.41Å; N273-S277 PolarHBondContact O-N 3.37Å; N273-S277 PolarHBondContact O-OG 2.95Å; V275-S277 PolarHBondContact O-N 3.08Å; V275-S277 VanDerWaalsContact O-N 3.15Å
278	S	93.6	Very high	92.8	Very high	5 Å²	5	24.1 Å²	24.1	4%	0.035	13%	0.134	C	C	.	.			trans	-124.5	119.8	177.8	-179.2	0	0	0	0	111.2	R243 S274 V275 D280 A281 L282	R243-S278 WeakPolarHBondContact O-CB 3.45Å; R243-S278 PolarHBondContact O-OG 2.85Å; S274-S278 WeakPolarHBondContact O-CB 3.39Å; V275-S278 PolarHBondContact O-N 2.89Å; V275-S278 VanDerWaalsContact O-O 3.1Å; S278-D280 PolarHBondContact O-N 2.96Å; S278-D280 PolarHBondContact OG-N 3.39Å; S278-A281 PolarHBondContact O-N 3.28Å; S278-A281 PolarHBondContact OG-N 3.45Å; S278-L282 WeakPolarHBondContact O-CB 3.46Å; S278-L282 PolarHBondContact O-N 3.16Å
279	Y	93.4	Very high	92	Very high	28 Å²	28	32.8 Å²	32.8	11%	0.11	18%	0.175	C	C	.	.	H	α-helix	trans	-53.8	-42.8	170.6	167.2	-96.8	0	0	0	111.2	S283 L427 L430 R454 L455 L458	Y279-S283 VanDerWaalsContact O-CB 3.31Å; Y279-S283 WeakPolarHBondContact O-CB 3.35Å; Y279-S283 PolarHBondContact O-N 3.15Å; Y279-S283 VanDerWaalsContact O-N 3.12Å; Y279-S283 PolarHBondContact O-OG 2.96Å; Y279-L427 HydrophobicContact CD2-CD2 4.09Å; Y279-L430 HydrophobicContact CD1-CD2 4.42Å; Y279-L430 HydrophobicContact CD2-CD2 3.83Å; Y279-L430 HydrophobicContact CE1-CD2 4.17Å; Y279-L430 HydrophobicContact CE2-CD2 3.56Å; Y279-L430 HydrophobicContact CG-CD2 4.27Å; Y279-R454 WeakPolarHBondContact OH-CB 3.4Å; Y279-L455 HydrophobicContact CD2-CD2 4.47Å; Y279-L455 HydrophobicContact CE2-CD2 3.78Å; Y279-L455 HydrophobicContact CE2-CG 4.06Å; Y279-L458 HydrophobicContact CD2-CD1 3.7Å; Y279-L458 HydrophobicContact CE2-CD1 4.31Å
280	D	93	Very high	90.3	Very high	37 Å²	37	36.2 Å²	36.2	20%	0.198	19%	0.193	C	C	.	.	H	α-helix	trans	-65.4	-46.3	-174.3	-82.5	-38.9	0	0	0	112.8	K244 S278 S283 S284 R454	K244-D280 HydrophobicContact CB-CB 4.18Å; K244-D280 VanDerWaalsContact CE-OD2 3.31Å; K244-D280 WeakPolarHBondContact CE-OD2 3.35Å; K244-D280 HydrophobicContact CG-CB 3.99Å; K244-D280 IonicContact NZ-OD2 3.87Å; S278-D280 PolarHBondContact O-N 2.96Å; S278-D280 PolarHBondContact OG-N 3.39Å; D280-S283 PolarHBondContact O-OG 2.9Å; D280-S284 WeakPolarHBondContact O-CB 3.39Å; D280-S284 PolarHBondContact O-OG 3.37Å; D280-R454 PolarHBondContact O-NH2 3.12Å; D280-R454 IonicContact OD1-CZ 3.19Å; D280-R454 IonicContact OD1-NH1 3.07Å; D280-R454 IonicContact OD1-NH2 4Å; D280-R454 PolarHBondContact OD1-NH2 3.26Å
281	A	94.1	Very high	87.3	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-70.4	-47.1	178.3	0	0	0	0	0	111.8	R243 T245 G246 V275 S278 S284 S285	R243-A281 HydrophobicContact CB-CB 4.23Å; R243-A281 HydrophobicContact CG-CB 4.06Å; R243-A281 WeakPolarHBondContact O-CB 3.48Å; R243-A281 PolarHBondContact O-N 3Å; T245-A281 VanDerWaalsContact O-CB 3.24Å; T245-A281 WeakPolarHBondContact O-CB 3.46Å; G246-A281 WeakPolarHBondContact CA-O 3.48Å; V275-A281 HydrophobicContact CB-CB 4.36Å; V275-A281 HydrophobicContact CG1-CB 4.17Å; V275-A281 HydrophobicContact CG2-CB 4.36Å; S278-A281 PolarHBondContact O-N 3.28Å; S278-A281 PolarHBondContact OG-N 3.45Å; A281-S284 CarbonylContact O-C 3.59Å; A281-S284 PolarHBondContact O-N 3.29Å; A281-S284 VanDerWaalsContact O-N 3.12Å; A281-S285 PolarHBondContact O-N 3.18Å; A281-S285 PolarHBondContact O-OG 2.84Å
282	L	94.8	Very high	84.4	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-65.2	-46.6	-172.7	-168.5	61	0	0	0	111.5	V275 F276 S278 S284 S285 L422 L458 I461 L462	V275-L282 HydrophobicContact CG1-CD1 4.09Å; F276-L282 HydrophobicContact CD1-CD1 3.79Å; F276-L282 HydrophobicContact CD1-CD2 4.08Å; F276-L282 HydrophobicContact CD2-CD1 4.4Å; F276-L282 HydrophobicContact CE1-CD1 3.67Å; F276-L282 HydrophobicContact CE1-CD2 4.5Å; F276-L282 HydrophobicContact CE2-CD1 4.29Å; F276-L282 HydrophobicContact CG-CD1 4.16Å; F276-L282 HydrophobicContact CZ-CD1 3.92Å; S278-L282 WeakPolarHBondContact O-CB 3.46Å; S278-L282 PolarHBondContact O-N 3.16Å; L282-S284 PolarHBondContact O-N 2.92Å; L282-S284 VanDerWaalsContact O-N 3.1Å; L282-S285 WeakPolarHBondContact O-CB 3.48Å; L282-S285 PolarHBondContact O-N 3.09Å; L282-S285 VanDerWaalsContact O-N 3.16Å; L282-L422 HydrophobicContact CD2-CD2 3.56Å; L282-L458 HydrophobicContact CB-CD1 4.31Å; L282-L458 HydrophobicContact CB-CG 4.49Å; L282-L458 HydrophobicContact CD2-CD1 4.31Å; L282-L458 HydrophobicContact CD2-CG 3.94Å; L282-L458 HydrophobicContact CG-CG 4.18Å; L282-I461 HydrophobicContact CD1-CB 4.4Å; L282-I461 HydrophobicContact CD1-CG2 3.61Å; L282-I461 HydrophobicContact CG-CG2 4.46Å; L282-I461 VanDerWaalsContact O-CD1 3.24Å; L282-I461 WeakPolarHBondContact O-CD1 3.35Å; L282-L462 HydrophobicContact CD2-CD1 4.41Å; L282-L462 HydrophobicContact CD2-CD2 3.87Å; L282-L462 HydrophobicContact CD2-CG 4.04Å
283	S	94.7	Very high	81.2	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.4	174.8	60.3	0	0	0	0	115.1	Y279 D280 R454 N457	Y279-S283 VanDerWaalsContact O-CB 3.31Å; Y279-S283 WeakPolarHBondContact O-CB 3.35Å; Y279-S283 PolarHBondContact O-N 3.15Å; Y279-S283 VanDerWaalsContact O-N 3.12Å; Y279-S283 PolarHBondContact O-OG 2.96Å; D280-S283 PolarHBondContact O-OG 2.9Å; S283-R454 WeakPolarHBondContact CB-O 3.36Å; S283-R454 PolarHBondContact OG-NE 3.02Å; S283-R454 VanDerWaalsContact OG-NE 3.13Å; S283-R454 PolarHBondContact OG-NH2 3.43Å; S283-N457 PolarHBondContact O-ND2 3.45Å
284	S	93.5	Very high	78.2	Confident	21 Å²	21	55.9 Å²	55.9	15%	0.147	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	8.8	-178.3	-47.3	0	0	0	0	113.3	G246 D280 A281 L282 L287	G246-S284 WeakPolarHBondContact CA-O 3.37Å; D280-S284 WeakPolarHBondContact O-CB 3.39Å; D280-S284 PolarHBondContact O-OG 3.37Å; A281-S284 CarbonylContact O-C 3.59Å; A281-S284 PolarHBondContact O-N 3.29Å; A281-S284 VanDerWaalsContact O-N 3.12Å; L282-S284 PolarHBondContact O-N 2.92Å; L282-S284 VanDerWaalsContact O-N 3.1Å; S284-L287 WeakPolarHBondContact O-CD1 3.41Å; S284-L287 WeakPolarHBondContact O-CG 3.37Å
285	S	94.6	Very high	75	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.329	C	S	.	.	S	Bend	trans	-88.4	148.1	-176.2	-63.1	0	0	0	0	112.3	L247 A281 L282 L287	L247-S285 PolarHBondContact N-OG 3.38Å; L247-S285 WeakPolarHBondContact O-CA 3.39Å; A281-S285 PolarHBondContact O-N 3.18Å; A281-S285 PolarHBondContact O-OG 2.84Å; L282-S285 WeakPolarHBondContact O-CB 3.48Å; L282-S285 PolarHBondContact O-N 3.09Å; L282-S285 VanDerWaalsContact O-N 3.16Å; S285-L287 PolarHBondContact O-N 2.87Å; S285-L287 VanDerWaalsContact O-N 3.12Å
286	F	93.9	Very high	72.1	Confident	15 Å²	15	63.2 Å²	63.2	7%	0.066	36%	0.363	C	S	.	.	S	Bend	trans	51.3	32.6	175.6	-51.3	-76.5	0	0	0	115.4	L247 L249 V390 N391 L395 A398	L247-F286 HydrophobicContact CB-CE2 4.33Å; L247-F286 HydrophobicContact CB-CZ 4.32Å; L247-F286 HydrophobicContact CD2-CE2 4.01Å; L247-F286 HydrophobicContact CD2-CZ 3.67Å; L247-F286 HydrophobicContact CG-CE1 4.43Å; L247-F286 HydrophobicContact CG-CE2 4.23Å; L247-F286 HydrophobicContact CG-CZ 3.77Å; L247-F286 PolarHBondContact O-N 3.15Å; L249-F286 HydrophobicContact CB-CE1 4.42Å; F286-V390 HydrophobicContact CB-CG1 4.1Å; F286-N391 WeakPolarHBondContact O-CB 3.25Å; F286-N391 PolarHBondContact O-N 2.73Å; F286-L395 HydrophobicContact CB-CB 4.45Å; F286-L395 HydrophobicContact CD2-CD1 3.77Å; F286-L395 HydrophobicContact CE2-CD1 3.98Å; F286-L395 HydrophobicContact CG-CB 4.45Å; F286-L395 HydrophobicContact CG-CD1 4.42Å; F286-A398 HydrophobicContact CD1-CB 4.39Å; F286-A398 HydrophobicContact CE1-CB 3.48Å; F286-A398 VanDerWaalsContact CE1-CB 3.48Å; F286-A398 HydrophobicContact CE2-CB 4.42Å; F286-A398 HydrophobicContact CZ-CB 3.5Å; F286-A398 VanDerWaalsContact CZ-CB 3.5Å
287	L	92.5	Very high	69.4	Low	50 Å²	50	73.1 Å²	73.1	26%	0.262	41%	0.407	S	S	.	.	B	Isolated β-bridge	trans	-69.5	152.7	-179.4	-51.9	174.7	0	0	0	112.4	S284 S285 W387 P388 S389 N457	S284-L287 WeakPolarHBondContact O-CD1 3.41Å; S284-L287 WeakPolarHBondContact O-CG 3.37Å; S285-L287 PolarHBondContact O-N 2.87Å; S285-L287 VanDerWaalsContact O-N 3.12Å; L287-W387 HydrophobicContact CD1-CZ2 4.26Å; L287-P388 HydrophobicContact CB-CB 4.35Å; L287-P388 HydrophobicContact CB-CG 3.98Å; L287-P388 HydrophobicContact CD1-CG 4.01Å; L287-P388 HydrophobicContact CG-CG 4.41Å; L287-S389 WeakPolarHBondContact CA-O 3.3Å; L287-N457 VanDerWaalsContact CD2-ND2 3.33Å; L287-N457 WeakPolarHBondContact CD2-ND2 3.39Å
288	H	86.1	Confident	66.4	Low	92 Å²	92	81.5 Å²	81.5	43%	0.426	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-64	148	165.1	-79.2	-84.7	0	0	0	112.2	L290 P388 S389 N391	H288-L290 PolarHBondContact O-N 3.38Å; H288-P388 HydrophobicContact CB-CB 4.5Å; H288-S389 PolarHBondContact CD2-O 3.36Å; H288-S389 PolarHBondContact N-O 3.38Å; H288-N391 WeakPolarHBondContact NE2-CA 3.31Å
289	E	73.2	Confident	63.6	Low	184 Å²	184	87.2 Å²	87.2	86%	0.86	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-69.2	129.9	176.7	-66.1	-166	159.1	0	0	111.5	C291	E289-C291 PolarHBondContact O-N 3.09Å
290	L	56	Low	60.7	Low	117 Å²	117	94.5 Å²	94.5	61%	0.613	52%	0.516	S	S	*	.			trans	-69.2	110.4	177.3	-74.5	168.8	0	0	0	111.1	H288 V292 P388	H288-L290 PolarHBondContact O-N 3.38Å; L290-V292 HydrophobicContact CB-CG2 4.27Å; L290-V292 PolarHBondContact O-N 3.39Å; L290-P388 HydrophobicContact CD2-CB 4.4Å; L290-P388 HydrophobicContact CD2-CG 4.21Å; L290-P388 HydrophobicContact CG-CG 4.33Å
291	C	30.1	Very low	58	Low	129 Å²	129	103.4 Å²	103.4	87%	0.872	55%	0.547	S	S	*	.			trans	-69.8	67.7	175.5	-77.8	0	0	0	0	113.2	E289 A293	E289-C291 PolarHBondContact O-N 3.09Å; C291-A293 PolarHBondContact O-N 3.24Å; C291-A293 VanDerWaalsContact O-N 3.09Å
292	V	30.7	Very low	55.2	Low	111 Å²	111	109.6 Å²	109.6	67%	0.673	58%	0.58	S	S	*	*			trans	-75.7	97.2	174.6	-176.8	0	0	0	0	110	L290 R294	L290-V292 HydrophobicContact CB-CG2 4.27Å; L290-V292 PolarHBondContact O-N 3.39Å; V292-R294 PolarHBondContact O-N 3.4Å
293	A	25	Very low	52.5	Low	98 Å²	98	119.6 Å²	119.6	81%	0.81	62%	0.624	S	S	*	*			trans	-64.2	87.8	178.3	0	0	0	0	0	112.4	C291 S295	C291-A293 PolarHBondContact O-N 3.24Å; C291-A293 VanDerWaalsContact O-N 3.09Å; A293-S295 PolarHBondContact O-N 2.93Å
294	R	30.7	Very low	49.6	Very low	230 Å²	230	128.8 Å²	128.8	87%	0.868	66%	0.663	S	S	*	*			trans	-72.6	99.4	177.6	-77.2	-174.8	169.8	-179.6	-1.5	111.8	V292 G296	V292-R294 PolarHBondContact O-N 3.4Å; R294-G296 PolarHBondContact O-N 3.48Å
295	S	26.8	Very low	46.9	Very low	122 Å²	122	133.3 Å²	133.3	85%	0.853	69%	0.69	S	S	*	*			trans	-69	68	172	59.7	0	0	0	0	113.1	A293	A293-S295 PolarHBondContact O-N 2.93Å
296	G	32	Very low	44	Very low	70 Å²	70	138.6 Å²	138.6	72%	0.722	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-86.6	118.8	177.8	0	0	0	0	0	112.9	R294	R294-G296 PolarHBondContact O-N 3.48Å
297	K	35.6	Very low	41	Very low	212 Å²	212	145 Å²	145	92%	0.922	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-67.1	144.6	-178.5	-72.9	175	177.5	172.2	0	112.9
298	Q	30.1	Very low	38.2	Very low	190 Å²	190	148.9 Å²	148.9	89%	0.888	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-60.7	142.9	-176.9	-60.5	170.7	-12.4	0	0	114.1
299	S	34.8	Very low	35.6	Very low	125 Å²	125	150.1 Å²	150.1	87%	0.874	80%	0.803	S	S	*	*			trans	-151.8	142.2	142.3	-166.3	0	0	0	0	111.8
300	K	33.7	Very low	33.6	Very low	180 Å²	180	145.2 Å²	145.2	78%	0.783	80%	0.801	S	S	*	*			trans	-86.4	149.9	-168.6	-60.9	161.2	176.8	171.6	0	112.2
301	R	34.6	Very low	32.3	Very low	225 Å²	225	145.7 Å²	145.7	85%	0.849	81%	0.814	S	S	*	*				174.7	120.2	107.9	-94.7	-178	165.8	140.9	-1	115.8
302	D	35.7	Very low	32.3	Very low	129 Å²	129	145 Å²	145	69%	0.69	81%	0.808	S	S	*	*			trans	41.2	115.1	130.7	-37.4	-26.5	0	0	0	121.6
303	K	37.9	Very low	32	Very low	212 Å²	212	147.5 Å²	147.5	92%	0.922	82%	0.817	S	S	*	*				-175.7	159.8	101.8	-99.3	169.7	-176.5	177.9	0	115.5
304	K	34.4	Very low	32	Very low	192 Å²	192	148.4 Å²	148.4	84%	0.835	82%	0.816	S	S	*	*			trans	-68.8	170.1	175.8	-65.7	174.2	165.4	179.3	0	112
305	T	36.3	Very low	31.7	Very low	116 Å²	116	142.6 Å²	142.6	71%	0.712	81%	0.811	S	S	*	*			cis	-167	158.8	38	-16.4	0	0	0	0	114.2
306	T	35.2	Very low	31.7	Very low	111 Å²	111	141.9 Å²	141.9	68%	0.681	80%	0.801	S	S	*	*			trans	62.2	101.3	150.5	49	0	0	0	0	122.6
307	D	29.3	Very low	31.6	Very low	149 Å²	149	143.9 Å²	143.9	80%	0.797	80%	0.804	S	S	*	*				39.6	131.3	115.9	-41	-31.7	0	0	0	122.6
308	V	35	Very low	31.3	Very low	132 Å²	132	137.9 Å²	137.9	80%	0.8	79%	0.794	S	S	*	*				-179	127.2	103.6	150.6	0	0	0	0	112.8
309	S	31.1	Very low	31.3	Very low	119 Å²	119	136.9 Å²	136.9	83%	0.832	79%	0.787	S	S	*	*			trans	43	119.1	162.1	67.6	0	0	0	0	122.1
310	G	30.9	Very low	31.2	Very low	80 Å²	80	136.4 Å²	136.4	83%	0.825	78%	0.779	S	S	*	*			trans	-170.5	126.1	162.2	0	0	0	0	0	112.6
311	S	29.1	Very low	31.1	Very low	128 Å²	128	133.5 Å²	133.5	90%	0.895	77%	0.771	S	S	*	*			trans	-67.1	169.5	-173.5	-116.1	0	0	0	0	115
312	P	29.6	Very low	30.9	Very low	114 Å²	114	128.4 Å²	128.4	74%	0.74	76%	0.755	S	S	*	*				-105.5	170.4	-114	39.4	-33.6	0	0	0	115.3
313	L	24.7	Very low	30.6	Very low	163 Å²	163	128.1 Å²	128.1	85%	0.853	75%	0.753	S	S	*	*			trans	-67.4	132.3	176.2	-71.1	72.2	0	0	0	111.4
314	C	25.1	Very low	30.3	Very low	117 Å²	117	128.5 Å²	128.5	79%	0.791	75%	0.751	S	S	*	*			trans	-105.1	101.5	164	-166.9	0	0	0	0	108.6	T316	C314-T316 PolarHBondContact SG-OG1 2.94Å; C314-T316 VanDerWaalsContact SG-OG1 3.37Å
315	S	24.4	Very low	30.3	Very low	109 Å²	109	125 Å²	125	76%	0.762	74%	0.74	S	S	*	*			trans	-112.4	57.9	-174.2	51.3	0	0	0	0	111.7
316	T	25.7	Very low	29.9	Very low	106 Å²	106	125.2 Å²	125.2	65%	0.65	73%	0.733	S	S	*	*			trans	-137.4	83.2	-173.1	42.3	0	0	0	0	111.7	C314	C314-T316 PolarHBondContact SG-OG1 2.94Å; C314-T316 VanDerWaalsContact SG-OG1 3.37Å
317	S	29.6	Very low	29.7	Very low	112 Å²	112	125.7 Å²	125.7	78%	0.783	74%	0.735	S	S	*	*	S	Bend	trans	-150.5	17.1	167.1	70.1	0	0	0	0	113.5
318	A	30.2	Very low	29.7	Very low	86 Å²	86	122.8 Å²	122.8	71%	0.711	72%	0.719	S	S	*	*	S	Bend	trans	-143.5	24.1	-174.9	0	0	0	0	0	112.8
319	K	30.7	Very low	29.3	Very low	170 Å²	170	120.9 Å²	120.9	74%	0.739	71%	0.711	S	S	*	*	S	Bend	trans	-131	-37.4	174.3	-76.4	-163.2	167.7	-163.3	0	112.8	L321 K322	K319-L321 PolarHBondContact O-N 3.49Å; K319-K322 PolarHBondContact O-N 3.24Å
320	T	31.6	Very low	29.2	Very low	115 Å²	115	120.7 Å²	120.7	71%	0.706	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	17.2	176.1	-18.6	0	0	0	0	115
321	L	31.5	Very low	29.2	Very low	118 Å²	118	123 Å²	123	62%	0.618	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.9	1.8	-178.7	-122.3	164.8	0	0	0	112.1	K319 I325	K319-L321 PolarHBondContact O-N 3.49Å; L321-I325 HydrophobicContact CD2-CD1 3.95Å
322	K	30.6	Very low	29.2	Very low	118 Å²	118	122.4 Å²	122.4	51%	0.513	70%	0.696	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.6	-41.4	169.3	-90.3	-179.9	160.7	-69.9	0	111.4	K319 Y324 I325 E326	K319-K322 PolarHBondContact O-N 3.24Å; K322-Y324 PolarHBondContact O-N 3.21Å; K322-I325 PolarHBondContact O-N 3.49Å; K322-E326 HydrophobicContact CB-CG 4.24Å; K322-E326 WeakPolarHBondContact CD-OE1 3.33Å; K322-E326 HydrophobicContact CG-CG 4.45Å; K322-E326 IonicContact NZ-OE1 3.7Å; K322-E326 PolarHBondContact NZ-OE1 3.04Å; K322-E326 PolarHBondContact O-N 3.08Å
323	D	29.7	Very low	29.3	Very low	123 Å²	123	124.1 Å²	124.1	66%	0.658	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-4.2	-177.7	-46.7	-9	0	0	0	114.5
324	Y	31.7	Very low	29.4	Very low	221 Å²	221	123.7 Å²	123.7	87%	0.867	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.6	4.3	173.6	-110.2	-90.3	0	0	0	114	K322	K322-Y324 PolarHBondContact O-N 3.21Å
325	I	33.6	Very low	29.8	Very low	118 Å²	118	123.4 Å²	123.4	61%	0.605	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.6	-24	-178.1	-63.6	-177.7	0	0	0	111.5	L321 K322 V327	L321-I325 HydrophobicContact CD2-CD1 3.95Å; K322-I325 PolarHBondContact O-N 3.49Å; I325-V327 PolarHBondContact O-N 3.48Å
326	E	29	Very low	30.1	Very low	120 Å²	120	126.5 Å²	126.5	56%	0.561	71%	0.705	S	S	*	*			trans	-77.9	34.6	179.4	-66.2	-173.4	160.4	0	0	114.4	K322	K322-E326 HydrophobicContact CB-CG 4.24Å; K322-E326 WeakPolarHBondContact CD-OE1 3.33Å; K322-E326 HydrophobicContact CG-CG 4.45Å; K322-E326 IonicContact NZ-OE1 3.7Å; K322-E326 PolarHBondContact NZ-OE1 3.04Å; K322-E326 PolarHBondContact O-N 3.08Å
327	V	30	Very low	30.3	Very low	122 Å²	122	125.5 Å²	125.5	74%	0.739	72%	0.716	S	S	*	*	S	Bend	trans	-130	43.1	174.1	-160.5	0	0	0	0	112.1	I325	I325-V327 PolarHBondContact O-N 3.48Å
328	I	30	Very low	30.2	Very low	87 Å²	87	125.6 Å²	125.6	45%	0.446	72%	0.717	S	S	.	*	S	Bend	trans	-156.3	98	151.9	-84	125.1	0	0	0	105.2	E575	I328-E575 WeakPolarHBondContact CG1-OE1 3.46Å
329	S	26.5	Very low	30.2	Very low	92 Å²	92	126.9 Å²	126.9	64%	0.643	72%	0.716	S	S	*	*			trans	177.6	97.6	173.5	-85.4	0	0	0	0	112	T331	S329-T331 PolarHBondContact O-N 3.38Å
330	P	30.2	Very low	30.1	Very low	116 Å²	116	125 Å²	125	75%	0.753	71%	0.714	S	S	*	*			trans	-78.2	111.7	174.3	30.1	-32.3	0	0	0	111.4	V332	P330-V332 PolarHBondContact O-N 3.42Å; P330-V332 VanDerWaalsContact O-N 3.08Å
331	T	29.9	Very low	30	Very low	128 Å²	128	125.6 Å²	125.6	79%	0.785	71%	0.712	S	S	*	*			trans	-81.9	87.2	179.7	16.1	0	0	0	0	112.4	S329 N333	S329-T331 PolarHBondContact O-N 3.38Å; T331-N333 PolarHBondContact O-N 2.86Å
332	V	29	Very low	29.9	Very low	115 Å²	115	126.6 Å²	126.6	70%	0.697	72%	0.717	S	S	*	*			trans	-66.9	112	170.2	179.8	0	0	0	0	110.3	P330	P330-V332 PolarHBondContact O-N 3.42Å; P330-V332 VanDerWaalsContact O-N 3.08Å
333	N	31	Very low	29.8	Very low	150 Å²	150	125.6 Å²	125.6	80%	0.802	72%	0.721	S	S	*	*			trans	-107.8	107.7	169.1	-86.8	-51	0	0	0	110	T331	T331-N333 PolarHBondContact O-N 2.86Å
334	N	27.8	Very low	29.7	Very low	154 Å²	154	128.3 Å²	128.3	82%	0.824	73%	0.73	S	S	*	*			trans	-77.7	127.2	173.1	-77.2	-38.6	0	0	0	111.4
335	S	33.6	Very low	29.7	Very low	112 Å²	112	122.5 Å²	122.5	78%	0.783	72%	0.721	S	S	*	*			trans	-154.8	107.2	158.1	65.4	0	0	0	0	112.4
336	D	30.4	Very low	29.4	Very low	174 Å²	174	121 Å²	121	93%	0.93	72%	0.721	S	S	*	*			trans	-1.8	129.2	166.1	-52.6	-36.1	0	0	0	120.2
337	G	29.3	Very low	29.5	Very low	85 Å²	85	126.3 Å²	126.3	88%	0.876	74%	0.736	S	S	*	*			trans	-168.7	79	171.8	0	0	0	0	0	113.8
338	S	28.3	Very low	29.4	Very low	114 Å²	114	125.7 Å²	125.7	80%	0.797	73%	0.733	S	S	*	*			trans	-76.8	161.7	-173.2	55.6	0	0	0	0	116.4
339	V	30.3	Very low	29.2	Very low	113 Å²	113	130.6 Å²	130.6	69%	0.685	75%	0.754	S	S	*	*			trans	124.3	94.4	150.2	178	0	0	0	0	115.8
340	D	27.6	Very low	29.3	Very low	130 Å²	130	129.4 Å²	129.4	70%	0.695	76%	0.756	S	S	*	*				59.5	150.7	129	-47.5	-10.3	0	0	0	124.8
341	N	29.9	Very low	29.2	Very low	127 Å²	127	132.7 Å²	132.7	68%	0.679	76%	0.764	S	S	*	*			trans	94.4	113.2	150.1	-60.8	-49.1	0	0	0	118.6
342	I	28.8	Very low	29.1	Very low	140 Å²	140	132.4 Å²	132.4	72%	0.718	76%	0.762	S	S	*	*				90	130.7	92.2	-76.9	172.7	0	0	0	111.6
343	T	29.1	Very low	29	Very low	97 Å²	97	132.1 Å²	132.1	60%	0.595	77%	0.765	S	S	*	*			cis	-166.7	163	-0	22.9	0	0	0	0	111.6
344	E	27.8	Very low	28.9	Very low	180 Å²	180	130 Å²	130	84%	0.841	76%	0.762	S	S	*	*			trans	66.7	152.4	148	-72.6	159.9	-176.9	0	0	118.6
345	S	31	Very low	28.8	Very low	98 Å²	98	127.7 Å²	127.7	69%	0.685	76%	0.758	S	S	*	*			cis	-144.8	137.6	2.2	53.5	0	0	0	0	109.9
346	S	27.9	Very low	28.7	Very low	87 Å²	87	129 Å²	129	61%	0.608	76%	0.761	S	S	*	*				60.1	139.1	82.6	-145.2	0	0	0	0	114
347	W	30.8	Very low	28.5	Very low	231 Å²	231	127.6 Å²	127.6	88%	0.875	75%	0.754	S	S	*	*			cis	-152.3	175.4	29.3	-51.9	71.9	0	0	0	108.7
348	V	29.3	Very low	28.3	Very low	110 Å²	110	133.5 Å²	133.5	67%	0.667	76%	0.755	S	S	*	*			cis	-169.3	135.2	-21.2	134.2	0	0	0	0	104.3
349	E	25.4	Very low	28.2	Very low	190 Å²	190	132.8 Å²	132.8	89%	0.888	75%	0.748	S	S	*	*				89.2	128.8	50.7	-142.8	-173.1	-133.2	0	0	115.7
350	G	28.2	Very low	27.9	Very low	67 Å²	67	134 Å²	134	69%	0.691	75%	0.75	S	S	*	*			trans	111.1	147.3	172	0	0	0	0	0	117
351	M	28.6	Very low	27.9	Very low	185 Å²	185	135.9 Å²	135.9	91%	0.911	75%	0.748	S	S	*	*			cis	-152.1	118.8	-3.7	-75.7	-166.8	172.2	0	0	114
352	T	27	Very low	27.7	Very low	122 Å²	122	137.2 Å²	137.2	75%	0.748	75%	0.75	S	S	*	*			trans	29.3	120.5	136.8	58.7	0	0	0	0	124.5
353	S	26.5	Very low	27.6	Very low	108 Å²	108	138.6 Å²	138.6	76%	0.755	76%	0.759	S	S	*	*				97.2	151.4	114	75.7	0	0	0	0	124.5
354	S	30	Very low	27.6	Very low	106 Å²	106	139.3 Å²	139.3	74%	0.741	76%	0.759	S	S	*	*			trans	74.4	130.1	171.4	70.8	0	0	0	0	118.3
355	S	25.7	Very low	27.7	Very low	106 Å²	106	137 Å²	137	74%	0.741	76%	0.757	S	S	*	*			cis	121.1	106.2	-5.4	74.8	0	0	0	0	115.1
356	T	30.2	Very low	27.5	Very low	139 Å²	139	141.1 Å²	141.1	85%	0.853	77%	0.766	S	S	*	*			trans	-153.6	130.7	156	43.7	0	0	0	0	109.7
357	D	26.7	Very low	27.7	Very low	145 Å²	145	145 Å²	145	78%	0.775	78%	0.776	S	S	*	*			trans	-86	163.5	-169.9	-40.8	-94.2	0	0	0	114.6
358	F	25.2	Very low	27.6	Very low	208 Å²	208	141.2 Å²	141.2	91%	0.912	77%	0.773	S	S	*	*				-173.5	157.8	126.2	-88.4	-52.1	0	0	0	109.6
359	P	26.5	Very low	27.6	Very low	99 Å²	99	143.9 Å²	143.9	64%	0.643	78%	0.784	S	S	*	*			trans	-133	-169.2	-133.8	36.7	-15.7	0	0	0	116
360	I	24.4	Very low	27.8	Very low	140 Å²	140	143 Å²	143	72%	0.718	78%	0.779	S	S	*	*			trans	82.7	135.2	169.6	-51.5	155.4	0	0	0	112.9
361	Y	26.6	Very low	27.9	Very low	169 Å²	169	148.3 Å²	148.3	66%	0.663	79%	0.786	S	S	*	*			cis	-112.7	152.8	5.3	-91.4	-75.7	0	0	0	113.5	D139	D139-Y361 WeakPolarHBondContact OD2-CE2 3.34Å; D139-Y361 VanDerWaalsContact OD2-CZ 3.22Å; D139-Y361 PolarHBondContact OD2-OH 2.86Å
362	Q	25.4	Very low	27.8	Very low	154 Å²	154	145.2 Å²	145.2	72%	0.72	78%	0.777	S	S	*	*			trans	-97	146.4	163.1	-70.1	-179.5	-93.9	0	0	110.8	D364	Q362-D364 WeakPolarHBondContact CB-OD2 3.12Å; Q362-D364 WeakPolarHBondContact CG-OD2 3.49Å; Q362-D364 PolarHBondContact NE2-OD2 3.06Å
363	N	27.9	Very low	27.8	Very low	170 Å²	170	146.8 Å²	146.8	91%	0.909	78%	0.781	S	S	*	*			trans	-144.5	50.4	158.5	-113.7	-18	0	0	0	108.4	V365	N363-V365 PolarHBondContact O-N 3.17Å
364	D	29.1	Very low	27.8	Very low	112 Å²	112	145.3 Å²	145.3	60%	0.599	77%	0.771	S	S	*	*			trans	-75.4	118.2	-179.9	-54.2	-57.7	0	0	0	109.6	Q362	Q362-D364 WeakPolarHBondContact CB-OD2 3.12Å; Q362-D364 WeakPolarHBondContact CG-OD2 3.49Å; Q362-D364 PolarHBondContact NE2-OD2 3.06Å
365	V	29.1	Very low	27.9	Very low	131 Å²	131	147.6 Å²	147.6	79%	0.794	77%	0.773	S	S	*	*			trans	-102.1	91	159.2	179.8	0	0	0	0	106.5	N363 M367	N363-V365 PolarHBondContact O-N 3.17Å; V365-M367 HydrophobicContact CG1-CG 4.42Å; V365-M367 PolarHBondContact O-N 2.69Å
366	E	27.8	Very low	27.9	Very low	185 Å²	185	149.5 Å²	149.5	86%	0.864	77%	0.77	S	S	*	*			trans	-59	124.8	165.8	-63.5	177.4	136.2	0	0	108.6
367	M	30.6	Very low	27.9	Very low	168 Å²	168	149.1 Å²	149.1	83%	0.828	76%	0.762	S	S	*	*			trans	-119.8	128.9	161.9	-80.3	-167.6	62.5	0	0	108	V365	V365-M367 HydrophobicContact CG1-CG 4.42Å; V365-M367 PolarHBondContact O-N 2.69Å
368	D	29	Very low	28	Very low	152 Å²	152	149.1 Å²	149.1	81%	0.813	76%	0.76	S	S	*	*			trans	-54.1	139.6	-173.4	-86.1	-59.9	0	0	0	113.9	Q370	D368-Q370 HydrophobicContact CB-CB 4.42Å; D368-Q370 PolarHBondContact O-N 3.33Å
369	D	29.9	Very low	28.2	Very low	166 Å²	166	147.9 Å²	147.9	89%	0.888	76%	0.757	S	S	*	*	S	Bend	trans	-66	71.4	160.4	-90.5	-45.8	0	0	0	110.4
370	Q	29	Very low	28.2	Very low	171 Å²	171	151.8 Å²	151.8	80%	0.799	76%	0.764	S	S	*	*			trans	-157.7	33	177.4	-133.5	151.7	112.5	0	0	116.4	D368	D368-Q370 HydrophobicContact CB-CB 4.42Å; D368-Q370 PolarHBondContact O-N 3.33Å
371	Q	30.8	Very low	28.4	Very low	178 Å²	178	149 Å²	149	83%	0.832	76%	0.757	S	S	*	*			trans	-140.5	21.7	172.6	-136.9	164.2	53.5	0	0	117.6	N373	Q371-N373 VanDerWaalsContact C-N 3.3Å; Q371-N373 PolarHBondContact O-N 2.63Å; Q371-N373 VanDerWaalsContact O-N 3.11Å
372	V	26.9	Very low	28.5	Very low	120 Å²	120	150 Å²	150	73%	0.727	77%	0.768	S	S	*	*			trans	-82.9	77.1	162.5	-173.7	0	0	0	0	109.2
373	N	25.7	Very low	28.7	Very low	156 Å²	156	150.3 Å²	150.3	83%	0.834	77%	0.774	S	S	*	*			trans	-178.4	95.2	166.8	-106.7	-63.9	0	0	0	110.8	Q371	Q371-N373 VanDerWaalsContact C-N 3.3Å; Q371-N373 PolarHBondContact O-N 2.63Å; Q371-N373 VanDerWaalsContact O-N 3.11Å
374	S	28.4	Very low	29.1	Very low	77 Å²	77	148.5 Å²	148.5	54%	0.538	76%	0.764	S	S	.	*			trans	171	83.6	142.3	60.7	0	0	0	0	114	E376 I377	S374-E376 PolarHBondContact O-N 3.37Å; S374-I377 WeakPolarHBondContact OG-CD1 3.39Å
375	I	30	Very low	30	Very low	154 Å²	154	148.6 Å²	148.6	79%	0.79	77%	0.769	S	S	*	*	S	Bend	trans	-89.3	53.3	150.2	-54.1	-179.5	0	0	0	107.8	P574	I375-P574 HydrophobicContact CD1-CB 4.12Å
376	E	27.7	Very low	31.8	Very low	145 Å²	145	149 Å²	149	68%	0.678	76%	0.757	S	S	*	*			trans	-146	39.8	177	-106.7	-134.6	133.7	0	0	110.9	S374 K380	S374-E376 PolarHBondContact O-N 3.37Å; E376-K380 IonicContact OE1-NZ 3.92Å
377	I	29.8	Very low	34.2	Very low	132 Å²	132	143.7 Å²	143.7	68%	0.677	73%	0.729	S	S	*	*			trans	-124.9	113.9	168	-46	178.9	0	0	0	105.1	S374	S374-I377 WeakPolarHBondContact OG-CD1 3.39Å
378	I	28.3	Very low	36.8	Very low	144 Å²	144	136.8 Å²	136.8	74%	0.738	70%	0.697	S	S	*	*	S	Bend	cis	-137	104.3	42.5	-55.4	154.1	0	0	0	111.5
379	E	28.7	Very low	39.7	Very low	182 Å²	182	132.3 Å²	132.3	85%	0.85	68%	0.678	S	S	*	*	S	Bend	trans	-157.9	28.8	154.3	-129.6	179.4	-131.2	0	0	117.3
380	K	27	Very low	42.7	Very low	182 Å²	182	125 Å²	125	79%	0.791	64%	0.639	S	S	*	*			trans	-147	67.9	169.7	-86.6	127.6	-172	172.9	0	113.4	E376	E376-K380 IonicContact OE1-NZ 3.92Å
381	S	28.1	Very low	45.6	Very low	80 Å²	80	118.3 Å²	118.3	56%	0.559	61%	0.608	S	S	*	*			trans	-140.5	86.8	164.4	64.6	0	0	0	0	111.6	N383	S381-N383 VanDerWaalsContact C-N 3.33Å; S381-N383 PolarHBondContact O-N 3.09Å
382	E	28.9	Very low	48.4	Very low	191 Å²	191	110.9 Å²	110.9	89%	0.893	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	82.5	176.5	-64.1	-170.9	144.6	0	0	111.3
383	N	31.1	Very low	51.3	Low	160 Å²	160	108.8 Å²	108.8	86%	0.856	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	175.1	-9.4	148.2	-94.9	-52.4	0	0	0	115	S381 V385	S381-N383 VanDerWaalsContact C-N 3.33Å; S381-N383 PolarHBondContact O-N 3.09Å; N383-V385 PolarHBondContact O-N 3.45Å
384	N	35.6	Very low	54.4	Low	132 Å²	132	103.5 Å²	103.5	71%	0.706	53%	0.531	S	S	*	.			trans	-70.4	124.7	-178.3	-101.3	-11.4	0	0	0	112.3	Y386	N384-Y386 PolarHBondContact O-N 3.05Å; N384-Y386 VanDerWaalsContact O-N 3.09Å
385	V	47.5	Very low	57.5	Low	114 Å²	114	99.8 Å²	99.8	69%	0.691	51%	0.505	S	S	*	.			trans	-83.2	85.9	-177.5	-176.3	0	0	0	0	110.1	N383	N383-V385 PolarHBondContact O-N 3.45Å
386	Y	67.2	Low	60.4	Low	139 Å²	139	93.4 Å²	93.4	55%	0.545	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-77.4	138	176.3	-152.7	-93.9	0	0	0	111.4	N384 Q453	N384-Y386 PolarHBondContact O-N 3.05Å; N384-Y386 VanDerWaalsContact O-N 3.09Å; Y386-Q453 HydrophobicContact CE1-CG 3.97Å; Y386-Q453 VanDerWaalsContact CE1-OE1 3.31Å; Y386-Q453 PolarHBondContact OH-OE1 2.61Å
387	W	78.2	Confident	63.3	Low	75 Å²	75	89.3 Å²	89.3	28%	0.284	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-74.5	130.6	172.9	-170.9	-88.7	0	0	0	109.4	L287 I450 Q453 R454	L287-W387 HydrophobicContact CD1-CZ2 4.26Å; W387-I450 HydrophobicContact CB-CG1 4.27Å; W387-I450 HydrophobicContact CB-CG2 4.41Å; W387-I450 HydrophobicContact CD2-CG2 4Å; W387-I450 HydrophobicContact CE3-CG1 4.49Å; W387-I450 HydrophobicContact CE3-CG2 3.62Å; W387-I450 HydrophobicContact CG-CG2 4.35Å; W387-I450 HydrophobicContact CZ3-CG2 4.22Å; W387-Q453 HydrophobicContact CB-CB 4.34Å; W387-Q453 HydrophobicContact CB-CG 4.19Å; W387-Q453 WeakPolarHBondContact O-CG 3.45Å; W387-R454 HydrophobicContact CD2-CG 4.14Å; W387-R454 HydrophobicContact CG-CG 4.18Å; W387-R454 HydrophobicContact CZ2-CG 4.29Å
388	P	85.7	Confident	66.3	Low	22 Å²	22	83.1 Å²	83.1	14%	0.143	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-65.7	147	-172	26.1	-33.7	0	0	0	112.1	L287 H288 L290 N457	L287-P388 HydrophobicContact CB-CB 4.35Å; L287-P388 HydrophobicContact CB-CG 3.98Å; L287-P388 HydrophobicContact CD1-CG 4.01Å; L287-P388 HydrophobicContact CG-CG 4.41Å; H288-P388 HydrophobicContact CB-CB 4.5Å; L290-P388 HydrophobicContact CD2-CB 4.4Å; L290-P388 HydrophobicContact CD2-CG 4.21Å; L290-P388 HydrophobicContact CG-CG 4.33Å; P388-N457 PolarHBondContact O-ND2 3.02Å
389	S	89.7	Confident	69.3	Low	59 Å²	59	76.6 Å²	76.6	41%	0.413	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-75.2	168.4	172.7	55.6	0	0	0	0	111.8	L287 H288	L287-S389 WeakPolarHBondContact CA-O 3.3Å; H288-S389 PolarHBondContact CD2-O 3.36Å; H288-S389 PolarHBondContact N-O 3.38Å
390	V	91.7	Very high	72.2	Confident	11 Å²	11	70 Å²	70	7%	0.067	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	-78.2	127.1	176.8	178.8	0	0	0	0	111.2	F286 L392 L395 N457 I461	F286-V390 HydrophobicContact CB-CG1 4.1Å; V390-L392 PolarHBondContact O-N 2.97Å; V390-L395 HydrophobicContact CG1-CB 4.24Å; V390-L395 HydrophobicContact CG1-CD2 3.86Å; V390-N457 HydrophobicContact CG2-CB 3.58Å; V390-I461 HydrophobicContact CG1-CD1 4.43Å; V390-I461 HydrophobicContact CG1-CG1 4.05Å; V390-I461 HydrophobicContact CG2-CD1 3.89Å; V390-I461 HydrophobicContact CG2-CG1 4.05Å
391	N	91.5	Very high	75.2	Confident	31 Å²	31	63.9 Å²	63.9	17%	0.166	34%	0.335	C	S	.	.			trans	-70.6	92.7	169	177.1	-4	0	0	0	110	F286 H288 N393 D394 L395	F286-N391 WeakPolarHBondContact O-CB 3.25Å; F286-N391 PolarHBondContact O-N 2.73Å; H288-N391 WeakPolarHBondContact NE2-CA 3.31Å; N391-N393 PolarHBondContact O-N 2.99Å; N391-N393 WeakPolarHBondContact OD1-CB 3.32Å; N391-N393 PolarHBondContact OD1-N 2.89Å; N391-D394 HydrophobicContact CB-CB 4.46Å; N391-D394 VanDerWaalsContact ND2-CG 3.27Å; N391-D394 PolarHBondContact ND2-OD2 2.69Å; N391-D394 VanDerWaalsContact ND2-OD2 3.07Å; N391-D394 PolarHBondContact O-N 3.31Å; N391-D394 VanDerWaalsContact O-N 3.14Å; N391-D394 PolarHBondContact OD1-N 3.47Å; N391-L395 PolarHBondContact O-N 3.14Å
392	L	89.3	Confident	78.1	Confident	23 Å²	23	60.3 Å²	60.3	12%	0.12	31%	0.309	C	S	.	.	H	α-helix	trans	-54.1	-34	179.2	-68.7	175.2	0	0	0	113.2	V390 L395 R396 T460 E464 T506	V390-L392 PolarHBondContact O-N 2.97Å; L392-L395 HydrophobicContact CD2-CD2 4.29Å; L392-L395 PolarHBondContact O-N 3.06Å; L392-R396 VanDerWaalsContact O-CB 3.27Å; L392-R396 WeakPolarHBondContact O-CB 3.4Å; L392-R396 WeakPolarHBondContact O-CG 3.22Å; L392-R396 PolarHBondContact O-N 2.96Å; L392-T460 HydrophobicContact CD2-CG2 3.67Å; L392-E464 HydrophobicContact CD2-CG 4.27Å; L392-T506 HydrophobicContact CB-CG2 4.16Å; L392-T506 HydrophobicContact CD1-CG2 4.47Å
393	N	87.8	Confident	80.9	Confident	75 Å²	75	53.7 Å²	53.7	40%	0.401	28%	0.282	S	S	.	.	H	α-helix	trans	-65.7	-43.3	179.9	-171.8	8.4	0	0	0	111.2	N391 K397	N391-N393 PolarHBondContact O-N 2.99Å; N391-N393 WeakPolarHBondContact OD1-CB 3.32Å; N391-N393 PolarHBondContact OD1-N 2.89Å; N393-K397 VanDerWaalsContact CG-NZ 3.25Å; N393-K397 PolarHBondContact ND2-NZ 3.07Å; N393-K397 WeakPolarHBondContact O-CD 3.43Å; N393-K397 WeakPolarHBondContact O-CG 3.47Å; N393-K397 PolarHBondContact O-N 2.85Å; N393-K397 VanDerWaalsContact O-N 3.08Å; N393-K397 WeakPolarHBondContact OD1-CE 3.4Å; N393-K397 PolarHBondContact OD1-NZ 3.21Å; N393-K397 VanDerWaalsContact OD1-NZ 3.11Å
394	D	91.3	Very high	83.6	Confident	45 Å²	45	50.2 Å²	50.2	24%	0.241	27%	0.27	C	S	.	.	H	α-helix	trans	-76.6	-31.5	178.2	-74.8	-2.5	0	0	0	112.7	L249 N391 K397 A398	L249-D394 HydrophobicContact CB-CB 4.31Å; L249-D394 HydrophobicContact CD2-CB 4.01Å; N391-D394 HydrophobicContact CB-CB 4.46Å; N391-D394 VanDerWaalsContact ND2-CG 3.27Å; N391-D394 PolarHBondContact ND2-OD2 2.69Å; N391-D394 VanDerWaalsContact ND2-OD2 3.07Å; N391-D394 PolarHBondContact O-N 3.31Å; N391-D394 VanDerWaalsContact O-N 3.14Å; N391-D394 PolarHBondContact OD1-N 3.47Å; D394-K397 IonicContact OD1-NZ 2.58Å; D394-K397 PolarHBondContact OD1-NZ 3.33Å; D394-A398 VanDerWaalsContact O-CB 3.27Å; D394-A398 WeakPolarHBondContact O-CB 3.35Å; D394-A398 PolarHBondContact O-N 2.79Å
395	L	92.5	Very high	86.2	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.7	-48.5	170.1	176.8	63.2	0	0	0	112.2	F286 V390 N391 L392 K397 A398 W399 I461 E464	F286-L395 HydrophobicContact CB-CB 4.45Å; F286-L395 HydrophobicContact CD2-CD1 3.77Å; F286-L395 HydrophobicContact CE2-CD1 3.98Å; F286-L395 HydrophobicContact CG-CB 4.45Å; F286-L395 HydrophobicContact CG-CD1 4.42Å; V390-L395 HydrophobicContact CG1-CB 4.24Å; V390-L395 HydrophobicContact CG1-CD2 3.86Å; N391-L395 PolarHBondContact O-N 3.14Å; L392-L395 HydrophobicContact CD2-CD2 4.29Å; L392-L395 PolarHBondContact O-N 3.06Å; L395-K397 PolarHBondContact O-N 3.47Å; L395-A398 WeakPolarHBondContact O-CB 3.25Å; L395-A398 PolarHBondContact O-N 2.8Å; L395-A398 VanDerWaalsContact O-N 3.13Å; L395-W399 PolarHBondContact O-N 2.77Å; L395-I461 HydrophobicContact CD1-CB 4.4Å; L395-I461 HydrophobicContact CD1-CG1 4.1Å; L395-I461 HydrophobicContact CD1-CG2 4.02Å; L395-I461 HydrophobicContact CD2-CG1 4.06Å; L395-E464 HydrophobicContact CD2-CB 3.7Å; L395-E464 HydrophobicContact CD2-CG 3.9Å; L395-E464 HydrophobicContact CG-CB 4.26Å
396	R	90.4	Very high	87.7	Confident	19 Å²	19	44.3 Å²	44.3	7%	0.072	24%	0.241	C	C	.	.	H	α-helix	trans	-64.8	-38.7	178.7	-71.7	172.8	177.3	173.9	2.6	111.4	L392 S400 E464 S503 T506 P507 A509	L392-R396 VanDerWaalsContact O-CB 3.27Å; L392-R396 WeakPolarHBondContact O-CB 3.4Å; L392-R396 WeakPolarHBondContact O-CG 3.22Å; L392-R396 PolarHBondContact O-N 2.96Å; R396-S400 VanDerWaalsContact O-CB 3.3Å; R396-S400 WeakPolarHBondContact O-CB 3.49Å; R396-S400 PolarHBondContact O-N 2.89Å; R396-E464 WeakPolarHBondContact CD-OE2 3.28Å; R396-E464 WeakPolarHBondContact CG-OE2 3.23Å; R396-E464 IonicContact CZ-OE1 3.78Å; R396-E464 IonicContact CZ-OE2 3.91Å; R396-E464 IonicContact NE-OE1 3.57Å; R396-E464 IonicContact NE-OE2 2.76Å; R396-E464 PolarHBondContact NE-OE2 2.86Å; R396-E464 IonicContact NH2-OE1 3.71Å; R396-E464 PolarHBondContact NH2-OE1 2.7Å; R396-E464 IonicContact NH2-OE2 3.05Å; R396-S503 PolarHBondContact NH1-O 3.03Å; R396-S503 PolarHBondContact NH2-O 3.27Å; R396-T506 PolarHBondContact NH1-O 2.87Å; R396-P507 PolarHBondContact NH1-O 3.38Å; R396-P507 VanDerWaalsContact NH1-O 3.14Å; R396-A509 HydrophobicContact CB-CB 3.99Å
397	K	89.9	Confident	88.3	Confident	59 Å²	59	43.4 Å²	43.4	26%	0.257	24%	0.241	S	C	.	.	H	α-helix	trans	-60.4	-46.2	169	-72.2	167.8	-159.4	144	0	111.8	L249 N393 D394 L395 W399 S400 M401	L249-K397 HydrophobicContact CD1-CB 4.17Å; L249-K397 HydrophobicContact CD2-CB 4.29Å; L249-K397 HydrophobicContact CD2-CD 3.92Å; N393-K397 VanDerWaalsContact CG-NZ 3.25Å; N393-K397 PolarHBondContact ND2-NZ 3.07Å; N393-K397 WeakPolarHBondContact O-CD 3.43Å; N393-K397 WeakPolarHBondContact O-CG 3.47Å; N393-K397 PolarHBondContact O-N 2.85Å; N393-K397 VanDerWaalsContact O-N 3.08Å; N393-K397 WeakPolarHBondContact OD1-CE 3.4Å; N393-K397 PolarHBondContact OD1-NZ 3.21Å; N393-K397 VanDerWaalsContact OD1-NZ 3.11Å; D394-K397 IonicContact OD1-NZ 2.58Å; D394-K397 PolarHBondContact OD1-NZ 3.33Å; L395-K397 PolarHBondContact O-N 3.47Å; K397-W399 PolarHBondContact O-N 2.72Å; K397-S400 PolarHBondContact O-N 3.13Å; K397-M401 WeakPolarHBondContact O-CG 3.08Å; K397-M401 PolarHBondContact O-N 3.44Å
398	A	92.5	Very high	88.5	Confident	2 Å²	2	44.6 Å²	44.6	2%	0.017	25%	0.246	C	C	.	.	H	α-helix	trans	-58.5	-46.2	178.7	0	0	0	0	0	112	L249 L252 F286 D394 L395 M401 I402	L249-A398 HydrophobicContact CD1-CB 4.09Å; L252-A398 HydrophobicContact CD2-CB 3.39Å; F286-A398 HydrophobicContact CD1-CB 4.39Å; F286-A398 HydrophobicContact CE1-CB 3.48Å; F286-A398 VanDerWaalsContact CE1-CB 3.48Å; F286-A398 HydrophobicContact CE2-CB 4.42Å; F286-A398 HydrophobicContact CZ-CB 3.5Å; F286-A398 VanDerWaalsContact CZ-CB 3.5Å; D394-A398 VanDerWaalsContact O-CB 3.27Å; D394-A398 WeakPolarHBondContact O-CB 3.35Å; D394-A398 PolarHBondContact O-N 2.79Å; L395-A398 WeakPolarHBondContact O-CB 3.25Å; L395-A398 PolarHBondContact O-N 2.8Å; L395-A398 VanDerWaalsContact O-N 3.13Å; A398-M401 PolarHBondContact O-N 3.14Å; A398-I402 WeakPolarHBondContact O-CG1 3.35Å; A398-I402 PolarHBondContact O-N 3.04Å; A398-I402 VanDerWaalsContact O-N 3.12Å
399	W	91.4	Very high	88.4	Confident	8 Å²	8	47.8 Å²	47.8	3%	0.03	26%	0.259	C	S	.	.	H	α-helix	trans	-66	-43.6	175.1	-75.1	131.2	0	0	0	112.9	F276 L395 K397 M401 I402 V403 L415 E464 C465 P466	F276-W399 AromaticContact CE1-CH2 3.73Å; F276-W399 HydrophobicContact CE1-CH2 3.73Å; F276-W399 AromaticContact CE1-CZ2 3.78Å; F276-W399 HydrophobicContact CE1-CZ2 3.78Å; F276-W399 HydrophobicContact CE2-CH2 4.32Å; F276-W399 AromaticContact CZ-CH2 3.43Å; F276-W399 HydrophobicContact CZ-CH2 3.43Å; F276-W399 VanDerWaalsContact CZ-CH2 3.43Å; F276-W399 AromaticContact CZ-CZ2 3.55Å; F276-W399 HydrophobicContact CZ-CZ2 3.55Å; L395-W399 PolarHBondContact O-N 2.77Å; K397-W399 PolarHBondContact O-N 2.72Å; W399-M401 VanDerWaalsContact C-N 3.26Å; W399-M401 PolarHBondContact O-N 3.5Å; W399-I402 HydrophobicContact CE3-CB 4.37Å; W399-I402 HydrophobicContact CE3-CD1 3.81Å; W399-I402 HydrophobicContact CE3-CG2 4.48Å; W399-I402 HydrophobicContact CZ3-CD1 3.9Å; W399-I402 PolarHBondContact O-N 3.22Å; W399-V403 WeakPolarHBondContact O-CG2 3.42Å; W399-V403 PolarHBondContact O-N 3.02Å; W399-L415 HydrophobicContact CH2-CD1 4.26Å; W399-L415 HydrophobicContact CH2-CD2 4.43Å; W399-L415 HydrophobicContact CZ3-CD1 3.93Å; W399-E464 PolarHBondContact NE1-O 3.01Å; W399-C465 HydrophobicContact CH2-CB 3.91Å; W399-C465 WeakPolarHBondContact CH2-SG 3.31Å; W399-C465 HydrophobicContact CZ2-CB 3.54Å; W399-P466 HydrophobicContact CB-CG 4.02Å; W399-P466 HydrophobicContact CG-CG 4.45Å
400	S	89.2	Confident	88.3	Confident	43 Å²	43	49.9 Å²	49.9	30%	0.301	27%	0.265	S	S	.	.	H	α-helix	trans	-54.5	-42.6	173.4	-179.5	0	0	0	0	111.8	R396 K397 I402 S404	R396-S400 VanDerWaalsContact O-CB 3.3Å; R396-S400 WeakPolarHBondContact O-CB 3.49Å; R396-S400 PolarHBondContact O-N 2.89Å; K397-S400 PolarHBondContact O-N 3.13Å; S400-I402 PolarHBondContact O-N 2.92Å; S400-S404 WeakPolarHBondContact O-CB 3.37Å; S400-S404 PolarHBondContact O-N 2.85Å; S400-S404 VanDerWaalsContact O-N 3.13Å; S400-S404 PolarHBondContact O-OG 3.23Å
401	M	89.8	Confident	88	Confident	54 Å²	54	49.4 Å²	49.4	27%	0.266	26%	0.262	S	S	.	.	H	α-helix	trans	-66	-34.6	176.1	-72.2	-173.2	72.4	0	0	113.7	L249 Q253 I256 K397 A398 W399	L249-M401 HydrophobicContact CD1-SD 4.3Å; Q253-M401 HydrophobicContact CB-CE 4.48Å; Q253-M401 HydrophobicContact CG-CE 3.76Å; Q253-M401 HydrophobicContact CG-SD 3.77Å; I256-M401 HydrophobicContact CB-CE 4.48Å; I256-M401 HydrophobicContact CD1-CB 3.77Å; I256-M401 HydrophobicContact CD1-CE 4.06Å; I256-M401 HydrophobicContact CG2-CE 4.34Å; K397-M401 WeakPolarHBondContact O-CG 3.08Å; K397-M401 PolarHBondContact O-N 3.44Å; A398-M401 PolarHBondContact O-N 3.14Å; W399-M401 VanDerWaalsContact C-N 3.26Å; W399-M401 PolarHBondContact O-N 3.5Å
402	I	89.9	Confident	87.7	Confident	4 Å²	4	48 Å²	48	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-75.2	-44.6	178	-68.3	165.1	0	0	0	111.3	L252 I256 L272 A398 W399 S400 S404 I405 I411 F467	L252-I402 HydrophobicContact CD1-CD1 4.15Å; L252-I402 HydrophobicContact CD1-CG1 4.22Å; L252-I402 HydrophobicContact CD2-CD1 3.95Å; L252-I402 HydrophobicContact CD2-CG1 4.19Å; I256-I402 HydrophobicContact CD1-CG1 4.43Å; L272-I402 HydrophobicContact CD1-CD1 4.49Å; L272-I402 HydrophobicContact CD2-CD1 4.18Å; A398-I402 WeakPolarHBondContact O-CG1 3.35Å; A398-I402 PolarHBondContact O-N 3.04Å; A398-I402 VanDerWaalsContact O-N 3.12Å; W399-I402 HydrophobicContact CE3-CB 4.37Å; W399-I402 HydrophobicContact CE3-CD1 3.81Å; W399-I402 HydrophobicContact CE3-CG2 4.48Å; W399-I402 HydrophobicContact CZ3-CD1 3.9Å; W399-I402 PolarHBondContact O-N 3.22Å; S400-I402 PolarHBondContact O-N 2.92Å; I402-S404 PolarHBondContact O-N 3.31Å; I402-I405 WeakPolarHBondContact O-CB 3.24Å; I402-I405 WeakPolarHBondContact O-CG1 3.13Å; I402-I405 PolarHBondContact O-N 3.47Å; I402-I411 HydrophobicContact CG2-CG2 4.17Å; I402-F467 HydrophobicContact CG2-CE2 4.06Å; I402-F467 HydrophobicContact CG2-CZ 4.42Å
403	V	87.4	Confident	87.6	Confident	53 Å²	53	49.3 Å²	49.3	32%	0.321	26%	0.262	S	S	.	.	H	α-helix	trans	-61.1	-34.1	177.1	172.3	0	0	0	0	111.4	W399 I405 P466 F467	W399-V403 WeakPolarHBondContact O-CG2 3.42Å; W399-V403 PolarHBondContact O-N 3.02Å; V403-I405 PolarHBondContact O-N 3.05Å; V403-I405 VanDerWaalsContact O-N 3.07Å; V403-P466 HydrophobicContact CG2-CB 4.04Å; V403-P466 HydrophobicContact CG2-CG 3.94Å; V403-F467 HydrophobicContact CG2-CE1 4.21Å; V403-F467 HydrophobicContact CG2-CE2 4.39Å; V403-F467 HydrophobicContact CG2-CZ 3.81Å
404	S	87.6	Confident	87.7	Confident	87 Å²	87	46.4 Å²	46.4	61%	0.608	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	4.9	177.5	-58.1	0	0	0	0	115.5	S400 I402	S400-S404 WeakPolarHBondContact O-CB 3.37Å; S400-S404 PolarHBondContact O-N 2.85Å; S400-S404 VanDerWaalsContact O-N 3.13Å; S400-S404 PolarHBondContact O-OG 3.23Å; I402-S404 PolarHBondContact O-N 3.31Å
405	I	88.7	Confident	87.5	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.021	24%	0.237	C	C	.	.			trans	-87.3	126.6	179.1	-63.3	172.3	0	0	0	109.8	I256 W265 L268 I402 V403 E407 R408 I411	I256-I405 HydrophobicContact CD1-CD1 4.46Å; I256-I405 HydrophobicContact CG1-CD1 4.34Å; W265-I405 HydrophobicContact CD2-CG2 4.2Å; W265-I405 HydrophobicContact CE3-CD1 4.3Å; W265-I405 HydrophobicContact CE3-CG2 4.37Å; W265-I405 HydrophobicContact CH2-CG1 4.39Å; W265-I405 HydrophobicContact CH2-CG2 3.95Å; W265-I405 HydrophobicContact CZ2-CG2 3.76Å; W265-I405 HydrophobicContact CZ3-CD1 4.08Å; W265-I405 HydrophobicContact CZ3-CG1 4.32Å; W265-I405 HydrophobicContact CZ3-CG2 4.26Å; L268-I405 HydrophobicContact CD2-CD1 3.55Å; I402-I405 WeakPolarHBondContact O-CB 3.24Å; I402-I405 WeakPolarHBondContact O-CG1 3.13Å; I402-I405 PolarHBondContact O-N 3.47Å; V403-I405 PolarHBondContact O-N 3.05Å; V403-I405 VanDerWaalsContact O-N 3.07Å; I405-E407 PolarHBondContact O-N 2.95Å; I405-R408 HydrophobicContact CB-CB 4.43Å; I405-R408 WeakPolarHBondContact O-CB 3.25Å; I405-I411 HydrophobicContact CB-CD1 4.46Å; I405-I411 HydrophobicContact CD1-CD1 3.7Å; I405-I411 HydrophobicContact CG2-CD1 4Å
406	P	80.1	Confident	87.1	Confident	117 Å²	117	45.3 Å²	45.3	76%	0.76	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-41.4	-178.2	-25.5	35	0	0	0	114	R408	P406-R408 VanDerWaalsContact C-N 3.29Å; P406-R408 PolarHBondContact O-N 2.79Å
407	E	79.1	Confident	87.1	Confident	120 Å²	120	51.7 Å²	51.7	56%	0.561	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	31.5	-172.8	-60.6	173.9	142.3	0	0	112.5	W265 I405 Q409	W265-E407 PolarHBondContact NE1-OE2 3.08Å; I405-E407 PolarHBondContact O-N 2.95Å; E407-Q409 PolarHBondContact O-N 3.46Å
408	R	82.8	Confident	87.2	Confident	100 Å²	100	48.9 Å²	48.9	38%	0.377	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-14.8	-165.6	64.7	178.1	-175.5	-84.1	-2.5	116.3	I405 P406 N410 I411 V412	I405-R408 HydrophobicContact CB-CB 4.43Å; I405-R408 WeakPolarHBondContact O-CB 3.25Å; P406-R408 VanDerWaalsContact C-N 3.29Å; P406-R408 PolarHBondContact O-N 2.79Å; R408-N410 VanDerWaalsContact C-N 3.34Å; R408-N410 PolarHBondContact O-N 2.89Å; R408-I411 CarbonylContact O-C 3.55Å; R408-I411 WeakPolarHBondContact O-CA 3.4Å; R408-I411 VanDerWaalsContact O-CB 3.31Å; R408-I411 WeakPolarHBondContact O-CB 3.38Å; R408-I411 PolarHBondContact O-N 2.81Å; R408-V412 WeakPolarHBondContact O-CG2 3.42Å; R408-V412 PolarHBondContact O-N 3.12Å
409	Q	84.5	Confident	87	Confident	90 Å²	90	49 Å²	49	42%	0.421	25%	0.253	S	S	.	.	H	α-helix	trans	-55.6	-46.5	-175.1	-164.3	63.7	44	0	0	112.7	E407 I411 V412 D413 H473	E407-Q409 PolarHBondContact O-N 3.46Å; Q409-I411 PolarHBondContact O-N 2.71Å; Q409-I411 VanDerWaalsContact O-N 3.14Å; Q409-V412 PolarHBondContact O-N 3.13Å; Q409-V412 VanDerWaalsContact O-N 3.12Å; Q409-D413 PolarHBondContact NE2-OD1 3.11Å; Q409-D413 WeakPolarHBondContact O-CB 3.4Å; Q409-D413 VanDerWaalsContact O-CG 3.23Å; Q409-D413 PolarHBondContact O-N 2.87Å; Q409-H473 PolarHBondContact NE2-NE2 2.9Å
410	N	86.6	Confident	86.9	Confident	102 Å²	102	54.4 Å²	54.4	55%	0.545	27%	0.274	S	S	.	.	H	α-helix	trans	-61.3	-26.1	177.2	-69.1	-52.2	0	0	0	113.1	I269 R408 T414	I269-N410 HydrophobicContact CD1-CB 4.02Å; R408-N410 VanDerWaalsContact C-N 3.34Å; R408-N410 PolarHBondContact O-N 2.89Å; N410-T414 VanDerWaalsContact O-CB 3.32Å; N410-T414 WeakPolarHBondContact O-CB 3.44Å; N410-T414 PolarHBondContact O-N 3.26Å; N410-T414 PolarHBondContact O-OG1 2.63Å
411	I	86	Confident	87	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-78.8	-45.8	175.6	-62.2	164.8	0	0	0	109.8	L268 I269 L272 I402 I405 R408 Q409 T414 L415	L268-I411 HydrophobicContact CD2-CD1 3.8Å; I269-I411 HydrophobicContact CG1-CG1 3.98Å; L272-I411 HydrophobicContact CD1-CG2 3.57Å; I402-I411 HydrophobicContact CG2-CG2 4.17Å; I405-I411 HydrophobicContact CB-CD1 4.46Å; I405-I411 HydrophobicContact CD1-CD1 3.7Å; I405-I411 HydrophobicContact CG2-CD1 4Å; R408-I411 CarbonylContact O-C 3.55Å; R408-I411 WeakPolarHBondContact O-CA 3.4Å; R408-I411 VanDerWaalsContact O-CB 3.31Å; R408-I411 WeakPolarHBondContact O-CB 3.38Å; R408-I411 PolarHBondContact O-N 2.81Å; Q409-I411 PolarHBondContact O-N 2.71Å; Q409-I411 VanDerWaalsContact O-N 3.14Å; I411-T414 WeakPolarHBondContact O-CB 3.43Å; I411-T414 PolarHBondContact O-N 2.98Å; I411-L415 HydrophobicContact CG2-CD1 4.09Å; I411-L415 HydrophobicContact CG2-CG 4.5Å; I411-L415 WeakPolarHBondContact O-CG 3.48Å; I411-L415 PolarHBondContact O-N 3.08Å
412	V	85.7	Confident	87.2	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.006	27%	0.271	C	S	.	.	H	α-helix	trans	-61.2	-49.8	176.1	-176.7	0	0	0	0	110.5	R408 Q409 T414 L415 M416 F467	R408-V412 WeakPolarHBondContact O-CG2 3.42Å; R408-V412 PolarHBondContact O-N 3.12Å; Q409-V412 PolarHBondContact O-N 3.13Å; Q409-V412 VanDerWaalsContact O-N 3.12Å; V412-T414 PolarHBondContact O-N 3.31Å; V412-T414 VanDerWaalsContact O-N 3.13Å; V412-L415 PolarHBondContact O-N 3.25Å; V412-M416 HydrophobicContact CG1-CE 4.02Å; V412-M416 HydrophobicContact CG1-CG 4.23Å; V412-M416 HydrophobicContact CG1-SD 4.04Å; V412-M416 VanDerWaalsContact O-CG 3.31Å; V412-M416 WeakPolarHBondContact O-CG 3.22Å; V412-M416 PolarHBondContact O-N 2.96Å; V412-F467 HydrophobicContact CG1-CB 4.41Å; V412-F467 HydrophobicContact CG1-CD1 4.48Å; V412-F467 HydrophobicContact CG1-CG 4.29Å; V412-F467 HydrophobicContact CG2-CD1 3.82Å; V412-F467 HydrophobicContact CG2-CD2 4.08Å; V412-F467 HydrophobicContact CG2-CE1 3.67Å; V412-F467 HydrophobicContact CG2-CE2 3.93Å; V412-F467 HydrophobicContact CG2-CG 4.04Å; V412-F467 HydrophobicContact CG2-CZ 3.73Å
413	D	86.7	Confident	87.2	Confident	52 Å²	52	56.1 Å²	56.1	28%	0.278	27%	0.27	S	S	.	.	H	α-helix	trans	-56.7	-30.9	175.2	-68	3.3	0	0	0	113	Q409 M416 R417	Q409-D413 PolarHBondContact NE2-OD1 3.11Å; Q409-D413 WeakPolarHBondContact O-CB 3.4Å; Q409-D413 VanDerWaalsContact O-CG 3.23Å; Q409-D413 PolarHBondContact O-N 2.87Å; D413-M416 HydrophobicContact CB-CE 4.5Å; D413-M416 WeakPolarHBondContact OD1-CE 3.14Å; D413-R417 WeakPolarHBondContact O-CB 3.46Å; D413-R417 PolarHBondContact O-N 3.12Å; D413-R417 PolarHBondContact O-NH1 3.44Å
414	T	89.2	Confident	87.2	Confident	14 Å²	14	57.8 Å²	57.8	9%	0.086	28%	0.28	C	S	.	.	H	α-helix	trans	-77.1	-44.9	175.4	-64.1	0	0	0	0	111.7	I269 N273 N410 I411 V412 R417 A418	I269-T414 HydrophobicContact CG2-CG2 4.01Å; N273-T414 HydrophobicContact CB-CG2 3.71Å; N410-T414 VanDerWaalsContact O-CB 3.32Å; N410-T414 WeakPolarHBondContact O-CB 3.44Å; N410-T414 PolarHBondContact O-N 3.26Å; N410-T414 PolarHBondContact O-OG1 2.63Å; I411-T414 WeakPolarHBondContact O-CB 3.43Å; I411-T414 PolarHBondContact O-N 2.98Å; V412-T414 PolarHBondContact O-N 3.31Å; V412-T414 VanDerWaalsContact O-N 3.13Å; T414-R417 PolarHBondContact O-N 2.88Å; T414-A418 VanDerWaalsContact O-CB 3.25Å; T414-A418 WeakPolarHBondContact O-CB 3.35Å; T414-A418 PolarHBondContact O-N 2.97Å
415	L	87.5	Confident	87.4	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-60	-48.2	175	-72.2	168	0	0	0	111.2	L272 F276 W399 I411 V412 R417 A418 V419 F467	L272-L415 HydrophobicContact CB-CD2 4.07Å; L272-L415 HydrophobicContact CD2-CD2 4.38Å; F276-L415 HydrophobicContact CB-CD2 4.23Å; F276-L415 HydrophobicContact CD1-CD2 4.04Å; F276-L415 HydrophobicContact CD2-CD2 3.59Å; F276-L415 HydrophobicContact CE1-CD2 4.3Å; F276-L415 HydrophobicContact CE2-CD2 3.9Å; F276-L415 HydrophobicContact CG-CD2 3.68Å; F276-L415 HydrophobicContact CZ-CD2 4.25Å; W399-L415 HydrophobicContact CH2-CD1 4.26Å; W399-L415 HydrophobicContact CH2-CD2 4.43Å; W399-L415 HydrophobicContact CZ3-CD1 3.93Å; I411-L415 HydrophobicContact CG2-CD1 4.09Å; I411-L415 HydrophobicContact CG2-CG 4.5Å; I411-L415 WeakPolarHBondContact O-CG 3.48Å; I411-L415 PolarHBondContact O-N 3.08Å; V412-L415 PolarHBondContact O-N 3.25Å; L415-R417 VanDerWaalsContact C-N 3.34Å; L415-R417 PolarHBondContact O-N 2.83Å; L415-A418 PolarHBondContact O-N 3.03Å; L415-A418 VanDerWaalsContact O-N 3.15Å; L415-V419 WeakPolarHBondContact O-CG2 3.48Å; L415-V419 PolarHBondContact O-N 2.88Å; L415-F467 HydrophobicContact CD1-CD2 4.21Å; L415-F467 HydrophobicContact CD1-CE2 4.25Å
416	M	84.9	Confident	87.6	Confident	19 Å²	19	59.6 Å²	59.6	9%	0.094	29%	0.285	C	S	.	.	H	α-helix	trans	-57.7	-45.2	177.4	-65.8	-173.6	-59.8	0	0	111.6	V412 D413 R420 L476 L477	V412-M416 HydrophobicContact CG1-CE 4.02Å; V412-M416 HydrophobicContact CG1-CG 4.23Å; V412-M416 HydrophobicContact CG1-SD 4.04Å; V412-M416 VanDerWaalsContact O-CG 3.31Å; V412-M416 WeakPolarHBondContact O-CG 3.22Å; V412-M416 PolarHBondContact O-N 2.96Å; D413-M416 HydrophobicContact CB-CE 4.5Å; D413-M416 WeakPolarHBondContact OD1-CE 3.14Å; M416-R420 VanDerWaalsContact O-CB 3.27Å; M416-R420 WeakPolarHBondContact O-CB 3.48Å; M416-R420 PolarHBondContact O-N 3.33Å; M416-L476 HydrophobicContact CE-CD1 3.81Å; M416-L476 HydrophobicContact CG-CB 4.36Å; M416-L476 HydrophobicContact SD-CB 3.41Å; M416-L476 WeakPolarHBondContact SD-CB 3.36Å; M416-L476 HydrophobicContact SD-CD1 3.63Å; M416-L476 HydrophobicContact SD-CG 4.17Å; M416-L477 HydrophobicContact CG-CB 4.43Å
417	R	89	Confident	88.2	Confident	153 Å²	153	54 Å²	54	58%	0.577	25%	0.249	S	C	*	.	H	α-helix	trans	-67.1	-36.9	176.9	-167.9	-178	-58.5	96.1	6.1	112.6	D413 T414 L415 R421	D413-R417 WeakPolarHBondContact O-CB 3.46Å; D413-R417 PolarHBondContact O-N 3.12Å; D413-R417 PolarHBondContact O-NH1 3.44Å; T414-R417 PolarHBondContact O-N 2.88Å; L415-R417 VanDerWaalsContact C-N 3.34Å; L415-R417 PolarHBondContact O-N 2.83Å; R417-R421 WeakPolarHBondContact O-CB 3.48Å; R417-R421 PolarHBondContact O-N 2.92Å; R417-R421 VanDerWaalsContact O-N 3.17Å
418	A	91.8	Very high	88.8	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-69.4	-48.4	178.5	0	0	0	0	0	111.6	F276 T414 L415 R421 L422	F276-A418 HydrophobicContact CB-CB 3.81Å; F276-A418 CarbonylContact O-C 3.53Å; F276-A418 VanDerWaalsContact O-C 3.27Å; T414-A418 VanDerWaalsContact O-CB 3.25Å; T414-A418 WeakPolarHBondContact O-CB 3.35Å; T414-A418 PolarHBondContact O-N 2.97Å; L415-A418 PolarHBondContact O-N 3.03Å; L415-A418 VanDerWaalsContact O-N 3.15Å; A418-R421 CarbonylContact O-C 3.58Å; A418-R421 WeakPolarHBondContact O-CB 3.38Å; A418-R421 PolarHBondContact O-N 2.68Å; A418-R421 VanDerWaalsContact O-N 3.15Å; A418-L422 PolarHBondContact O-N 3.46Å
419	V	90.3	Very high	89.3	Confident	3 Å²	3	50.1 Å²	50.1	2%	0.018	24%	0.235	C	C	.	.	H	α-helix	trans	-67.1	-40.7	178.6	177.6	0	0	0	0	111.4	F276 L415 R421 L422 V423 L462 L477 I481	F276-V419 HydrophobicContact CB-CG2 4.24Å; F276-V419 HydrophobicContact CD1-CG2 3.93Å; L415-V419 WeakPolarHBondContact O-CG2 3.48Å; L415-V419 PolarHBondContact O-N 2.88Å; V419-R421 PolarHBondContact O-N 3.12Å; V419-L422 WeakPolarHBondContact O-CB 3.3Å; V419-L422 PolarHBondContact O-N 3.18Å; V419-L422 VanDerWaalsContact O-N 3.16Å; V419-V423 HydrophobicContact CG1-CG2 4.31Å; V419-V423 WeakPolarHBondContact O-CG2 3.44Å; V419-V423 PolarHBondContact O-N 2.95Å; V419-L462 HydrophobicContact CB-CD2 4.45Å; V419-L462 HydrophobicContact CG1-CD1 4.46Å; V419-L462 HydrophobicContact CG1-CD2 3.91Å; V419-L462 HydrophobicContact CG2-CD2 3.6Å; V419-L477 HydrophobicContact CB-CD1 3.73Å; V419-L477 HydrophobicContact CG1-CD1 3.66Å; V419-L477 HydrophobicContact CG2-CD1 3.98Å; V419-I481 HydrophobicContact CG1-CG1 4.08Å
420	R	89.2	Confident	89.7	Confident	123 Å²	123	47.5 Å²	47.5	46%	0.464	22%	0.223	S	C	.	.	H	α-helix	trans	-59.5	-36	172.2	-174.9	170.8	-179.2	154.1	2.7	112	M416 V424	M416-R420 VanDerWaalsContact O-CB 3.27Å; M416-R420 WeakPolarHBondContact O-CB 3.48Å; M416-R420 PolarHBondContact O-N 3.33Å; R420-V424 HydrophobicContact CG-CG2 4.3Å; R420-V424 VanDerWaalsContact O-CB 3.31Å; R420-V424 WeakPolarHBondContact O-CB 3.48Å; R420-V424 VanDerWaalsContact O-CG2 3.26Å; R420-V424 WeakPolarHBondContact O-CG2 3.21Å; R420-V424 PolarHBondContact O-N 3.43Å
421	R	91.2	Very high	90.1	Very high	134 Å²	134	43.3 Å²	43.3	51%	0.506	20%	0.201	S	C	.	.	H	α-helix	trans	-71.4	-39.9	174.7	-172.2	-179.7	178.7	-130.4	-4	112.4	R417 A418 V419 I425	R417-R421 WeakPolarHBondContact O-CB 3.48Å; R417-R421 PolarHBondContact O-N 2.92Å; R417-R421 VanDerWaalsContact O-N 3.17Å; A418-R421 CarbonylContact O-C 3.58Å; A418-R421 WeakPolarHBondContact O-CB 3.38Å; A418-R421 PolarHBondContact O-N 2.68Å; A418-R421 VanDerWaalsContact O-N 3.15Å; V419-R421 PolarHBondContact O-N 3.12Å; R421-I425 HydrophobicContact CG-CD1 3.71Å; R421-I425 HydrophobicContact CG-CG1 4.32Å; R421-I425 VanDerWaalsContact O-CB 3.32Å; R421-I425 WeakPolarHBondContact O-CB 3.36Å; R421-I425 WeakPolarHBondContact O-CG1 3.27Å; R421-I425 PolarHBondContact O-N 3.39Å
422	L	93.2	Very high	90.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.221	C	C	.	.	I	π-helix	trans	-58	-50.2	173.5	176.2	73	0	0	0	110.9	F276 L282 A418 V419 S426 L427 L458 L462	F276-L422 WeakPolarHBondContact O-CB 3.38Å; L282-L422 HydrophobicContact CD2-CD2 3.56Å; A418-L422 PolarHBondContact O-N 3.46Å; V419-L422 WeakPolarHBondContact O-CB 3.3Å; V419-L422 PolarHBondContact O-N 3.18Å; V419-L422 VanDerWaalsContact O-N 3.16Å; L422-S426 CarbonylContact O-C 3.6Å; L422-S426 WeakPolarHBondContact O-CA 3.47Å; L422-S426 VanDerWaalsContact O-CB 3.28Å; L422-S426 WeakPolarHBondContact O-CB 3.37Å; L422-S426 PolarHBondContact O-N 3.19Å; L422-L427 HydrophobicContact CG-CD1 4.26Å; L422-L427 HydrophobicContact CG-CG 4.25Å; L422-L427 PolarHBondContact O-N 3.12Å; L422-L458 HydrophobicContact CD1-CD1 4.47Å; L422-L458 HydrophobicContact CD2-CD1 4.3Å; L422-L458 HydrophobicContact CD2-CD2 4.46Å; L422-L462 HydrophobicContact CD2-CD1 4.25Å
423	V	89.4	Confident	90.7	Very high	2 Å²	2	51 Å²	51	1%	0.012	24%	0.243	C	C	.	.	I	π-helix	trans	-62.4	-59.1	179.4	168.6	0	0	0	0	111.2	V419 I425 L427 H428 N480 A484 W487	V419-V423 HydrophobicContact CG1-CG2 4.31Å; V419-V423 WeakPolarHBondContact O-CG2 3.44Å; V419-V423 PolarHBondContact O-N 2.95Å; V423-I425 VanDerWaalsContact C-N 3.3Å; V423-I425 PolarHBondContact O-N 3.46Å; V423-L427 HydrophobicContact CG2-CD1 4.22Å; V423-H428 PolarHBondContact O-N 2.93Å; V423-N480 HydrophobicContact CB-CB 4.43Å; V423-N480 HydrophobicContact CG1-CB 4.36Å; V423-N480 WeakPolarHBondContact CG1-O 3.32Å; V423-N480 HydrophobicContact CG2-CB 4.16Å; V423-N480 VanDerWaalsContact CG2-O 3.3Å; V423-N480 WeakPolarHBondContact CG2-O 3.46Å; V423-A484 HydrophobicContact CG1-CB 4.17Å; V423-A484 HydrophobicContact CG2-CB 4.07Å; V423-W487 HydrophobicContact CG1-CH2 4.18Å; V423-W487 HydrophobicContact CG1-CZ3 4.16Å
424	V	88.9	Confident	90.9	Very high	88 Å²	88	54.7 Å²	54.7	53%	0.533	26%	0.259	S	S	.	.	I	π-helix	trans	-70.5	-24.1	-170.4	174.7	0	0	0	0	113	R420	R420-V424 HydrophobicContact CG-CG2 4.3Å; R420-V424 VanDerWaalsContact O-CB 3.31Å; R420-V424 WeakPolarHBondContact O-CB 3.48Å; R420-V424 VanDerWaalsContact O-CG2 3.26Å; R420-V424 WeakPolarHBondContact O-CG2 3.21Å; R420-V424 PolarHBondContact O-N 3.43Å
425	I	90.7	Very high	91	Very high	96 Å²	96	57.4 Å²	57.4	49%	0.492	28%	0.277	S	S	.	.	I	π-helix	trans	-107.7	-60.7	179	-51.6	-176.7	0	0	0	111.5	R421 V423 Q429	R421-I425 HydrophobicContact CG-CD1 3.71Å; R421-I425 HydrophobicContact CG-CG1 4.32Å; R421-I425 VanDerWaalsContact O-CB 3.32Å; R421-I425 WeakPolarHBondContact O-CB 3.36Å; R421-I425 WeakPolarHBondContact O-CG1 3.27Å; R421-I425 PolarHBondContact O-N 3.39Å; V423-I425 VanDerWaalsContact C-N 3.3Å; V423-I425 PolarHBondContact O-N 3.46Å; I425-Q429 WeakPolarHBondContact O-CB 3.27Å; I425-Q429 PolarHBondContact O-N 3.09Å
426	S	92.1	Very high	91.2	Very high	34 Å²	34	58.8 Å²	58.8	24%	0.238	29%	0.286	C	S	.	.	I	π-helix	trans	-78.1	-49.7	-167.4	-50.6	0	0	0	0	112.3	L422 Q429 L430	L422-S426 CarbonylContact O-C 3.6Å; L422-S426 WeakPolarHBondContact O-CA 3.47Å; L422-S426 VanDerWaalsContact O-CB 3.28Å; L422-S426 WeakPolarHBondContact O-CB 3.37Å; L422-S426 PolarHBondContact O-N 3.19Å; S426-Q429 PolarHBondContact O-N 2.99Å; S426-L430 VanDerWaalsContact O-CB 3.28Å; S426-L430 WeakPolarHBondContact O-CB 3.3Å; S426-L430 PolarHBondContact O-N 3.4Å
427	L	93.5	Very high	91.5	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.321	C	S	.	.	I	π-helix	trans	-74.3	-39.2	-177.9	-59.2	179.1	0	0	0	111.4	Y279 L422 V423 Q429 L430 L431 L455 L458 F459 A484	Y279-L427 HydrophobicContact CD2-CD2 4.09Å; L422-L427 HydrophobicContact CG-CD1 4.26Å; L422-L427 HydrophobicContact CG-CG 4.25Å; L422-L427 PolarHBondContact O-N 3.12Å; V423-L427 HydrophobicContact CG2-CD1 4.22Å; L427-Q429 VanDerWaalsContact C-N 3.31Å; L427-Q429 PolarHBondContact O-N 3.07Å; L427-L430 PolarHBondContact O-N 2.97Å; L427-L431 HydrophobicContact CB-CD1 4.26Å; L427-L431 VanDerWaalsContact O-CB 3.26Å; L427-L431 WeakPolarHBondContact O-CB 3.26Å; L427-L431 WeakPolarHBondContact O-CG 3.31Å; L427-L431 PolarHBondContact O-N 3.36Å; L427-L455 HydrophobicContact CD2-CD2 4.11Å; L427-L458 HydrophobicContact CD1-CD2 4.13Å; L427-L458 HydrophobicContact CD2-CD1 4.28Å; L427-L458 HydrophobicContact CD2-CD2 4.42Å; L427-F459 HydrophobicContact CD1-CZ 4.02Å; L427-A484 HydrophobicContact CD1-CB 3.87Å
428	H	92.7	Very high	91.6	Very high	64 Å²	64	58.8 Å²	58.8	30%	0.296	30%	0.302	S	S	.	.	H	α-helix	trans	-62.2	-37.7	173.1	-171.6	-86.7	0	0	0	112.2	V423 V432 I433 W487	V423-H428 PolarHBondContact O-N 2.93Å; H428-V432 WeakPolarHBondContact O-CB 3.09Å; H428-V432 PolarHBondContact O-N 3.29Å; H428-V432 VanDerWaalsContact O-N 3.08Å; H428-I433 VanDerWaalsContact ND1-CD1 3.33Å; H428-I433 WeakPolarHBondContact ND1-CD1 3.33Å; H428-I433 PolarHBondContact O-N 3.09Å; H428-W487 HydrophobicContact CB-CH2 3.97Å; H428-W487 HydrophobicContact CB-CZ3 3.76Å; H428-W487 AromaticContact CD2-CH2 3.6Å; H428-W487 AromaticContact CD2-CZ2 3.8Å
429	Q	92.8	Very high	91.6	Very high	74 Å²	74	59 Å²	59	35%	0.346	30%	0.304	S	S	.	.	I	π-helix	trans	-64.2	-48.4	172.2	-173.2	67.5	27.5	0	0	111.4	I425 S426 L427 Q434	I425-Q429 WeakPolarHBondContact O-CB 3.27Å; I425-Q429 PolarHBondContact O-N 3.09Å; S426-Q429 PolarHBondContact O-N 2.99Å; L427-Q429 VanDerWaalsContact C-N 3.31Å; L427-Q429 PolarHBondContact O-N 3.07Å; Q429-Q434 VanDerWaalsContact NE2-CD 3.26Å; Q429-Q434 CarbonylContact O-C 3.13Å; Q429-Q434 PolarHBondContact O-N 3.21Å
430	L	93	Very high	91.5	Very high	34 Å²	34	63.7 Å²	63.7	18%	0.178	33%	0.328	C	S	.	.	I	π-helix	trans	-75.2	-23.6	-173.6	-178.3	62.2	0	0	0	114.9	Y279 S426 L427 P435 P436 L455	Y279-L430 HydrophobicContact CD1-CD2 4.42Å; Y279-L430 HydrophobicContact CD2-CD2 3.83Å; Y279-L430 HydrophobicContact CE1-CD2 4.17Å; Y279-L430 HydrophobicContact CE2-CD2 3.56Å; Y279-L430 HydrophobicContact CG-CD2 4.27Å; S426-L430 VanDerWaalsContact O-CB 3.28Å; S426-L430 WeakPolarHBondContact O-CB 3.3Å; S426-L430 PolarHBondContact O-N 3.4Å; L427-L430 PolarHBondContact O-N 2.97Å; L430-P435 WeakPolarHBondContact O-CA 3.5Å; L430-P436 HydrophobicContact CD1-CG 3.93Å; L430-P436 WeakPolarHBondContact O-CD 3.44Å; L430-L455 HydrophobicContact CD2-CD2 4.24Å
431	L	93.8	Very high	91.6	Very high	15 Å²	15	61.3 Å²	61.3	8%	0.079	33%	0.325	C	S	.	.	I	π-helix	trans	-115.4	-21.1	-173.7	-57.9	176	0	0	0	113.8	L427 L439 L455 W487 L488	L427-L431 HydrophobicContact CB-CD1 4.26Å; L427-L431 VanDerWaalsContact O-CB 3.26Å; L427-L431 WeakPolarHBondContact O-CB 3.26Å; L427-L431 WeakPolarHBondContact O-CG 3.31Å; L427-L431 PolarHBondContact O-N 3.36Å; L431-L439 HydrophobicContact CD2-CD2 3.84Å; L431-L455 HydrophobicContact CD2-CD1 3.96Å; L431-L455 HydrophobicContact CD2-CD2 4.29Å; L431-W487 HydrophobicContact CB-CB 3.9Å; L431-W487 HydrophobicContact CD1-CB 4.09Å; L431-L488 HydrophobicContact CD1-CD2 3.87Å; L431-L488 HydrophobicContact CD2-CD2 4.05Å
432	V	92.3	Very high	91.2	Very high	69 Å²	69	61.2 Å²	61.2	42%	0.418	33%	0.334	S	S	.	.	I	π-helix	trans	-122.8	-41.2	-172.9	-171.3	0	0	0	0	112.8	H428 W487	H428-V432 WeakPolarHBondContact O-CB 3.09Å; H428-V432 PolarHBondContact O-N 3.29Å; H428-V432 VanDerWaalsContact O-N 3.08Å; V432-W487 HydrophobicContact CG2-CB 4.06Å; V432-W487 HydrophobicContact CG2-CD2 3.54Å; V432-W487 HydrophobicContact CG2-CE3 3.9Å; V432-W487 HydrophobicContact CG2-CG 3.61Å
433	I	93.2	Very high	91	Very high	94 Å²	94	70 Å²	70	48%	0.482	38%	0.375	S	S	.	.	I	π-helix	trans	-89.4	-41.7	-177.4	-56.2	174.8	0	0	0	111.6	H428	H428-I433 VanDerWaalsContact ND1-CD1 3.33Å; H428-I433 WeakPolarHBondContact ND1-CD1 3.33Å; H428-I433 PolarHBondContact O-N 3.09Å
434	Q	91.1	Very high	90.9	Very high	130 Å²	130	71.1 Å²	71.1	61%	0.607	38%	0.383	S	S	*	.	S	Bend	trans	-142.2	69.8	-178.8	-74.5	174.6	-18.7	0	0	110.1	Q429	Q429-Q434 VanDerWaalsContact NE2-CD 3.26Å; Q429-Q434 CarbonylContact O-C 3.13Å; Q429-Q434 PolarHBondContact O-N 3.21Å
435	P	91.3	Very high	90.9	Very high	71 Å²	71	70.8 Å²	70.8	46%	0.461	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-59.4	134.8	165.9	27.8	-34.1	0	0	0	110.2	L430	L430-P435 WeakPolarHBondContact O-CA 3.5Å
436	P	91.6	Very high	90.9	Very high	32 Å²	32	69.9 Å²	69.9	21%	0.208	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-61.2	140.4	167	-23.8	34.9	0	0	0	111.4	L430 G438 L439 I448 I451	L430-P436 HydrophobicContact CD1-CG 3.93Å; L430-P436 WeakPolarHBondContact O-CD 3.44Å; P436-G438 PolarHBondContact O-N 3.29Å; P436-L439 WeakPolarHBondContact O-CB 3.32Å; P436-L439 PolarHBondContact O-N 3.17Å; P436-I448 HydrophobicContact CB-CD1 3.77Å; P436-I451 HydrophobicContact CG-CD1 4.25Å
437	D	91.2	Very high	90.8	Very high	154 Å²	154	75.9 Å²	75.9	82%	0.824	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	136.1	174.7	-57.2	-55.7	0	0	0	110.5	L439 I448	D437-L439 VanDerWaalsContact C-N 3.31Å; D437-L439 PolarHBondContact O-N 2.97Å; D437-I448 WeakPolarHBondContact O-CD1 3.34Å
438	G	90.2	Very high	90.8	Very high	18 Å²	18	77 Å²	77	19%	0.186	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	74	11.8	-178.4	0	0	0	0	0	115.3	P436 D440 D441 I448	P436-G438 PolarHBondContact O-N 3.29Å; G438-D440 PolarHBondContact O-N 2.99Å; G438-D440 VanDerWaalsContact O-N 3.14Å; G438-D441 WeakPolarHBondContact CA-OD2 3.35Å; G438-D441 WeakPolarHBondContact O-CB 3.49Å; G438-D441 PolarHBondContact O-N 3.49Å; G438-I448 WeakPolarHBondContact O-CG2 3.36Å
439	L	91	Very high	90.7	Very high	5 Å²	5	75.4 Å²	75.4	3%	0.026	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-26.3	177.2	-172.5	69.7	0	0	0	112.7	L431 P436 D437 I448 I451 Q452 L455 P489 I492	L431-L439 HydrophobicContact CD2-CD2 3.84Å; P436-L439 WeakPolarHBondContact O-CB 3.32Å; P436-L439 PolarHBondContact O-N 3.17Å; D437-L439 VanDerWaalsContact C-N 3.31Å; D437-L439 PolarHBondContact O-N 2.97Å; L439-I448 HydrophobicContact CD1-CG2 4.48Å; L439-I451 HydrophobicContact CD1-CG2 3.76Å; L439-Q452 HydrophobicContact CD1-CG 4.21Å; L439-Q452 PolarHBondContact O-NE2 2.94Å; L439-L455 HydrophobicContact CD1-CD1 4.11Å; L439-L455 HydrophobicContact CD2-CD1 4.46Å; L439-P489 HydrophobicContact CD2-CG 4.14Å; L439-P489 HydrophobicContact CG-CG 4.18Å; L439-I492 HydrophobicContact CD1-CD1 3.79Å; L439-I492 HydrophobicContact CD2-CD1 4.21Å; L439-I492 HydrophobicContact CG-CD1 3.8Å
440	D	89.8	Confident	90.7	Very high	101 Å²	101	74 Å²	74	54%	0.54	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-9.5	175.7	56.3	-36.5	0	0	0	114.8	G438 N442 P489 T491	G438-D440 PolarHBondContact O-N 2.99Å; G438-D440 VanDerWaalsContact O-N 3.14Å; D440-N442 PolarHBondContact O-N 3.44Å; D440-P489 HydrophobicContact CB-CB 3.72Å; D440-P489 HydrophobicContact CB-CG 4.06Å; D440-T491 PolarHBondContact O-OG1 2.94Å
441	D	89.8	Confident	90.8	Very high	73 Å²	73	74.1 Å²	74.1	39%	0.39	40%	0.404	S	S	.	.			trans	-60.5	135.3	179.1	-73.5	-34.6	0	0	0	112.2	G438 Q443 P444 Q452	G438-D441 WeakPolarHBondContact CA-OD2 3.35Å; G438-D441 WeakPolarHBondContact O-CB 3.49Å; G438-D441 PolarHBondContact O-N 3.49Å; D441-Q443 VanDerWaalsContact C-N 3.33Å; D441-P444 HydrophobicContact CB-CB 3.99Å; D441-P444 WeakPolarHBondContact O-CD 3.47Å; D441-Q452 PolarHBondContact O-NE2 2.96Å
442	N	84.7	Confident	90.8	Very high	131 Å²	131	73.8 Å²	73.8	70%	0.701	40%	0.402	S	S	*	.	S	Bend	trans	-72.9	-23.5	171.7	-72.8	-38.7	0	0	0	113.2	D440 T491	D440-N442 PolarHBondContact O-N 3.44Å; N442-T491 WeakPolarHBondContact OD1-CG2 3.47Å
443	Q	87.1	Confident	90.9	Very high	185 Å²	185	71.2 Å²	71.2	86%	0.864	39%	0.386	S	S	*	.	S	Bend	trans	-130	66.4	175.4	-65.9	-170.6	6.2	0	0	110	D441	D441-Q443 VanDerWaalsContact C-N 3.33Å
444	P	87.9	Confident	91	Very high	26 Å²	26	68.4 Å²	68.4	17%	0.169	37%	0.369	C	S	.	.			trans	-73.1	158	-171.3	31.6	-36.9	0	0	0	112.3	D441 I448 A449	D441-P444 HydrophobicContact CB-CB 3.99Å; D441-P444 WeakPolarHBondContact O-CD 3.47Å; P444-I448 HydrophobicContact CB-CB 3.96Å; P444-I448 HydrophobicContact CB-CG2 3.82Å; P444-A449 HydrophobicContact CG-CB 3.92Å
445	P	89.3	Confident	91.2	Very high	80 Å²	80	62.2 Å²	62.2	52%	0.519	34%	0.34	S	S	.	.			trans	-54.5	148.2	164.9	-23.3	33.9	0	0	0	111.7	E447 I448 A449	P445-E447 PolarHBondContact O-N 2.97Å; P445-I448 WeakPolarHBondContact O-CA 3.41Å; P445-I448 WeakPolarHBondContact O-CB 3.46Å; P445-I448 PolarHBondContact O-N 3.33Å; P445-A449 PolarHBondContact O-N 2.92Å
446	T	90	Very high	91.5	Very high	77 Å²	77	59 Å²	59	47%	0.472	32%	0.319	S	S	.	.	H	α-helix	trans	-54.6	-34.5	-172.4	-46.1	0	0	0	0	114.1	A449 I450	T446-A449 PolarHBondContact O-N 2.85Å; T446-I450 HydrophobicContact CG2-CD1 4.35Å; T446-I450 WeakPolarHBondContact O-CD1 3.25Å; T446-I450 VanDerWaalsContact O-CG1 3.25Å; T446-I450 WeakPolarHBondContact O-CG1 3.43Å; T446-I450 PolarHBondContact O-N 3.34Å
447	E	90.5	Very high	91.7	Very high	161 Å²	161	57.6 Å²	57.6	75%	0.752	31%	0.31	S	S	*	.	H	α-helix	trans	-64.9	-39.4	176.4	-59.6	-170.5	171	0	0	112.3	P445 I451	P445-E447 PolarHBondContact O-N 2.97Å; E447-I451 WeakPolarHBondContact O-CG1 3.48Å; E447-I451 PolarHBondContact O-N 3.06Å
448	I	92.8	Very high	91.9	Very high	22 Å²	22	50.3 Å²	50.3	11%	0.113	27%	0.271	C	S	.	.	H	α-helix	trans	-75.7	-38.6	177	-56.6	-59.5	0	0	0	110.8	P436 D437 G438 L439 P444 P445 I450 I451 Q452	P436-I448 HydrophobicContact CB-CD1 3.77Å; D437-I448 WeakPolarHBondContact O-CD1 3.34Å; G438-I448 WeakPolarHBondContact O-CG2 3.36Å; L439-I448 HydrophobicContact CD1-CG2 4.48Å; P444-I448 HydrophobicContact CB-CB 3.96Å; P444-I448 HydrophobicContact CB-CG2 3.82Å; P445-I448 WeakPolarHBondContact O-CA 3.41Å; P445-I448 WeakPolarHBondContact O-CB 3.46Å; P445-I448 PolarHBondContact O-N 3.33Å; I448-I450 PolarHBondContact O-N 2.75Å; I448-I451 HydrophobicContact CD1-CD1 4.25Å; I448-I451 CarbonylContact O-C 3.54Å; I448-I451 WeakPolarHBondContact O-CA 3.47Å; I448-I451 WeakPolarHBondContact O-CB 3.3Å; I448-I451 PolarHBondContact O-N 3.33Å; I448-Q452 PolarHBondContact O-N 2.84Å
449	A	92.4	Very high	92.1	Very high	32 Å²	32	49.4 Å²	49.4	26%	0.264	26%	0.262	S	S	.	.	H	α-helix	trans	-55.2	-40.9	171.8	0	0	0	0	0	112.1	P444 P445 T446 Q452 Q453	P444-A449 HydrophobicContact CG-CB 3.92Å; P445-A449 PolarHBondContact O-N 2.92Å; T446-A449 PolarHBondContact O-N 2.85Å; A449-Q452 PolarHBondContact O-N 3.04Å; A449-Q453 PolarHBondContact O-N 3.26Å
450	I	92.8	Very high	92.3	Very high	44 Å²	44	49.8 Å²	49.8	23%	0.226	26%	0.264	C	S	.	.	H	α-helix	trans	-63.6	-41.3	173.8	-69.3	162.2	0	0	0	110.8	W387 T446 I448 R454	W387-I450 HydrophobicContact CB-CG1 4.27Å; W387-I450 HydrophobicContact CB-CG2 4.41Å; W387-I450 HydrophobicContact CD2-CG2 4Å; W387-I450 HydrophobicContact CE3-CG1 4.49Å; W387-I450 HydrophobicContact CE3-CG2 3.62Å; W387-I450 HydrophobicContact CG-CG2 4.35Å; W387-I450 HydrophobicContact CZ3-CG2 4.22Å; T446-I450 HydrophobicContact CG2-CD1 4.35Å; T446-I450 WeakPolarHBondContact O-CD1 3.25Å; T446-I450 VanDerWaalsContact O-CG1 3.25Å; T446-I450 WeakPolarHBondContact O-CG1 3.43Å; T446-I450 PolarHBondContact O-N 3.34Å; I448-I450 PolarHBondContact O-N 2.75Å; I450-R454 HydrophobicContact CG2-CG 4.32Å; I450-R454 WeakPolarHBondContact O-CB 3.27Å; I450-R454 WeakPolarHBondContact O-CD 3.48Å; I450-R454 WeakPolarHBondContact O-CG 3.48Å; I450-R454 PolarHBondContact O-N 3.4Å
451	I	93.5	Very high	92.5	Very high	36 Å²	36	45 Å²	45	19%	0.185	24%	0.239	C	C	.	.	H	α-helix	trans	-65.6	-43.8	177	-66.5	169.9	0	0	0	111.4	P436 L439 E447 I448 R454 L455	P436-I451 HydrophobicContact CG-CD1 4.25Å; L439-I451 HydrophobicContact CD1-CG2 3.76Å; E447-I451 WeakPolarHBondContact O-CG1 3.48Å; E447-I451 PolarHBondContact O-N 3.06Å; I448-I451 HydrophobicContact CD1-CD1 4.25Å; I448-I451 CarbonylContact O-C 3.54Å; I448-I451 WeakPolarHBondContact O-CA 3.47Å; I448-I451 WeakPolarHBondContact O-CB 3.3Å; I448-I451 PolarHBondContact O-N 3.33Å; I451-R454 PolarHBondContact O-N 2.75Å; I451-L455 HydrophobicContact CG2-CD1 4.08Å; I451-L455 WeakPolarHBondContact O-CG 3.41Å; I451-L455 PolarHBondContact O-N 3.32Å
452	Q	94.5	Very high	92.7	Very high	8 Å²	8	41.6 Å²	41.6	4%	0.037	22%	0.221	C	C	.	.	H	α-helix	trans	-57.3	-55.6	174.9	-70	-177.4	-14.9	0	0	111	L439 D441 I448 A449 R454 L455 V456 I492 M495	L439-Q452 HydrophobicContact CD1-CG 4.21Å; L439-Q452 PolarHBondContact O-NE2 2.94Å; D441-Q452 PolarHBondContact O-NE2 2.96Å; I448-Q452 PolarHBondContact O-N 2.84Å; A449-Q452 PolarHBondContact O-N 3.04Å; Q452-R454 VanDerWaalsContact C-N 3.27Å; Q452-R454 PolarHBondContact O-N 3.5Å; Q452-L455 WeakPolarHBondContact O-CB 3.4Å; Q452-L455 PolarHBondContact O-N 2.8Å; Q452-V456 WeakPolarHBondContact O-CG2 3.33Å; Q452-V456 PolarHBondContact O-N 2.89Å; Q452-I492 HydrophobicContact CB-CD1 4.3Å; Q452-I492 HydrophobicContact CB-CG1 4.14Å; Q452-I492 HydrophobicContact CG-CD1 3.94Å; Q452-I492 HydrophobicContact CG-CG1 3.87Å; Q452-M495 HydrophobicContact CB-CE 4.5Å; Q452-M495 HydrophobicContact CB-SD 4.04Å
453	Q	94.6	Very high	93	Very high	16 Å²	16	35.4 Å²	35.4	8%	0.075	19%	0.188	C	C	.	.	H	α-helix	trans	-62.6	-32.9	179.9	-174.7	59.7	62.7	0	0	112.5	Y386 W387 A449 V456 N457 M495	Y386-Q453 HydrophobicContact CE1-CG 3.97Å; Y386-Q453 VanDerWaalsContact CE1-OE1 3.31Å; Y386-Q453 PolarHBondContact OH-OE1 2.61Å; W387-Q453 HydrophobicContact CB-CB 4.34Å; W387-Q453 HydrophobicContact CB-CG 4.19Å; W387-Q453 WeakPolarHBondContact O-CG 3.45Å; A449-Q453 PolarHBondContact O-N 3.26Å; Q453-V456 PolarHBondContact O-N 3.13Å; Q453-N457 PolarHBondContact NE2-OD1 3.48Å; Q453-N457 WeakPolarHBondContact O-CB 3.45Å; Q453-N457 PolarHBondContact O-N 3.35Å; Q453-N457 PolarHBondContact O-OD1 3.32Å; Q453-M495 HydrophobicContact CB-CE 4.45Å
454	R	95.2	Very high	93.2	Very high	34 Å²	34	27.3 Å²	27.3	13%	0.128	15%	0.15	C	C	.	.	H	α-helix	trans	-68.2	-34.8	173.7	-78.9	177.4	79	-156.9	9.9	113	Y279 D280 S283 W387 I450 I451 Q452 L458	Y279-R454 WeakPolarHBondContact OH-CB 3.4Å; D280-R454 PolarHBondContact O-NH2 3.12Å; D280-R454 IonicContact OD1-CZ 3.19Å; D280-R454 IonicContact OD1-NH1 3.07Å; D280-R454 IonicContact OD1-NH2 4Å; D280-R454 PolarHBondContact OD1-NH2 3.26Å; S283-R454 WeakPolarHBondContact CB-O 3.36Å; S283-R454 PolarHBondContact OG-NE 3.02Å; S283-R454 VanDerWaalsContact OG-NE 3.13Å; S283-R454 PolarHBondContact OG-NH2 3.43Å; W387-R454 HydrophobicContact CD2-CG 4.14Å; W387-R454 HydrophobicContact CG-CG 4.18Å; W387-R454 HydrophobicContact CZ2-CG 4.29Å; I450-R454 HydrophobicContact CG2-CG 4.32Å; I450-R454 WeakPolarHBondContact O-CB 3.27Å; I450-R454 WeakPolarHBondContact O-CD 3.48Å; I450-R454 WeakPolarHBondContact O-CG 3.48Å; I450-R454 PolarHBondContact O-N 3.4Å; I451-R454 PolarHBondContact O-N 2.75Å; Q452-R454 VanDerWaalsContact C-N 3.27Å; Q452-R454 PolarHBondContact O-N 3.5Å; R454-L458 VanDerWaalsContact O-CB 3.31Å; R454-L458 WeakPolarHBondContact O-CB 3.34Å; R454-L458 PolarHBondContact O-N 2.96Å; R454-L458 VanDerWaalsContact O-N 3.09Å
455	L	96.2	Very high	93.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-66.9	-46.4	171	-75.5	161.1	0	0	0	110.8	Y279 L427 L430 L431 L439 I451 Q452 N457 L458 F459 L488 I492	Y279-L455 HydrophobicContact CD2-CD2 4.47Å; Y279-L455 HydrophobicContact CE2-CD2 3.78Å; Y279-L455 HydrophobicContact CE2-CG 4.06Å; L427-L455 HydrophobicContact CD2-CD2 4.11Å; L430-L455 HydrophobicContact CD2-CD2 4.24Å; L431-L455 HydrophobicContact CD2-CD1 3.96Å; L431-L455 HydrophobicContact CD2-CD2 4.29Å; L439-L455 HydrophobicContact CD1-CD1 4.11Å; L439-L455 HydrophobicContact CD2-CD1 4.46Å; I451-L455 HydrophobicContact CG2-CD1 4.08Å; I451-L455 WeakPolarHBondContact O-CG 3.41Å; I451-L455 PolarHBondContact O-N 3.32Å; Q452-L455 WeakPolarHBondContact O-CB 3.4Å; Q452-L455 PolarHBondContact O-N 2.8Å; L455-N457 PolarHBondContact O-N 3.35Å; L455-L458 WeakPolarHBondContact O-CB 3.24Å; L455-L458 PolarHBondContact O-N 3.37Å; L455-F459 HydrophobicContact CD2-CE2 4.43Å; L455-F459 VanDerWaalsContact O-CD2 3.28Å; L455-F459 WeakPolarHBondContact O-CD2 3.38Å; L455-F459 PolarHBondContact O-N 2.91Å; L455-L488 HydrophobicContact CB-CD2 4.46Å; L455-L488 HydrophobicContact CD1-CD2 4.32Å; L455-L488 HydrophobicContact CD2-CD2 4.39Å; L455-I492 HydrophobicContact CB-CG2 4.12Å; L455-I492 HydrophobicContact CD1-CD1 3.68Å
456	V	96	Very high	93.1	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.024	13%	0.133	C	C	.	.	H	α-helix	trans	-55	-53.9	174.7	178.3	0	0	0	0	110.7	Q452 Q453 L458 F459 T460 I492 M495 L496 A499	Q452-V456 WeakPolarHBondContact O-CG2 3.33Å; Q452-V456 PolarHBondContact O-N 2.89Å; Q453-V456 PolarHBondContact O-N 3.13Å; V456-L458 VanDerWaalsContact C-N 3.27Å; V456-L458 PolarHBondContact O-N 2.8Å; V456-F459 PolarHBondContact O-N 3.12Å; V456-F459 VanDerWaalsContact O-N 3.11Å; V456-T460 PolarHBondContact O-N 2.92Å; V456-T460 PolarHBondContact O-OG1 2.82Å; V456-T460 VanDerWaalsContact O-OG1 3.04Å; V456-I492 HydrophobicContact CG2-CG2 3.91Å; V456-M495 HydrophobicContact CG2-CB 3.51Å; V456-M495 HydrophobicContact CG2-CE 4.3Å; V456-M495 HydrophobicContact CG2-CG 4.49Å; V456-M495 HydrophobicContact CG2-SD 4.24Å; V456-L496 HydrophobicContact CG1-CD1 4.48Å; V456-A499 HydrophobicContact CG1-CB 4.09Å
457	N	95.9	Very high	92.8	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.016	11%	0.112	C	C	.	.	H	α-helix	trans	-52.7	-44.4	177.7	-73.6	0.5	0	0	0	112.3	S283 L287 P388 V390 Q453 L455 I461	S283-N457 PolarHBondContact O-ND2 3.45Å; L287-N457 VanDerWaalsContact CD2-ND2 3.33Å; L287-N457 WeakPolarHBondContact CD2-ND2 3.39Å; P388-N457 PolarHBondContact O-ND2 3.02Å; V390-N457 HydrophobicContact CG2-CB 3.58Å; Q453-N457 PolarHBondContact NE2-OD1 3.48Å; Q453-N457 WeakPolarHBondContact O-CB 3.45Å; Q453-N457 PolarHBondContact O-N 3.35Å; Q453-N457 PolarHBondContact O-OD1 3.32Å; L455-N457 PolarHBondContact O-N 3.35Å; N457-I461 WeakPolarHBondContact O-CD1 3.31Å; N457-I461 VanDerWaalsContact O-CG1 3.28Å; N457-I461 WeakPolarHBondContact O-CG1 3.34Å; N457-I461 PolarHBondContact O-N 3.21Å; N457-I461 VanDerWaalsContact O-N 3.08Å
458	L	96	Very high	92.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-62.4	-46	178.7	177.8	151.5	0	0	0	111.8	Y279 L282 L422 L427 R454 L455 V456 I461 L462	Y279-L458 HydrophobicContact CD2-CD1 3.7Å; Y279-L458 HydrophobicContact CE2-CD1 4.31Å; L282-L458 HydrophobicContact CB-CD1 4.31Å; L282-L458 HydrophobicContact CB-CG 4.49Å; L282-L458 HydrophobicContact CD2-CD1 4.31Å; L282-L458 HydrophobicContact CD2-CG 3.94Å; L282-L458 HydrophobicContact CG-CG 4.18Å; L422-L458 HydrophobicContact CD1-CD1 4.47Å; L422-L458 HydrophobicContact CD2-CD1 4.3Å; L422-L458 HydrophobicContact CD2-CD2 4.46Å; L427-L458 HydrophobicContact CD1-CD2 4.13Å; L427-L458 HydrophobicContact CD2-CD1 4.28Å; L427-L458 HydrophobicContact CD2-CD2 4.42Å; R454-L458 VanDerWaalsContact O-CB 3.31Å; R454-L458 WeakPolarHBondContact O-CB 3.34Å; R454-L458 PolarHBondContact O-N 2.96Å; R454-L458 VanDerWaalsContact O-N 3.09Å; L455-L458 WeakPolarHBondContact O-CB 3.24Å; L455-L458 PolarHBondContact O-N 3.37Å; V456-L458 VanDerWaalsContact C-N 3.27Å; V456-L458 PolarHBondContact O-N 2.8Å; L458-I461 PolarHBondContact O-N 2.88Å; L458-L462 HydrophobicContact CD2-CD1 3.64Å; L458-L462 HydrophobicContact CD2-CG 4.49Å; L458-L462 HydrophobicContact CG-CD1 4.45Å; L458-L462 WeakPolarHBondContact O-CG 3.49Å; L458-L462 PolarHBondContact O-N 3.22Å; L458-L462 VanDerWaalsContact O-N 3.09Å
459	F	95.3	Very high	91.9	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-71.3	-37.1	178.8	-78.2	-74.8	0	0	0	112.5	L427 L455 V456 I461 L462 Y463 I481 A484 V485 L488 L496	L427-F459 HydrophobicContact CD1-CZ 4.02Å; L455-F459 HydrophobicContact CD2-CE2 4.43Å; L455-F459 VanDerWaalsContact O-CD2 3.28Å; L455-F459 WeakPolarHBondContact O-CD2 3.38Å; L455-F459 PolarHBondContact O-N 2.91Å; V456-F459 PolarHBondContact O-N 3.12Å; V456-F459 VanDerWaalsContact O-N 3.11Å; F459-I461 VanDerWaalsContact C-N 3.3Å; F459-I461 PolarHBondContact O-N 3.24Å; F459-L462 HydrophobicContact CD1-CD1 4.45Å; F459-L462 PolarHBondContact O-N 2.84Å; F459-Y463 HydrophobicContact CB-CD2 4.43Å; F459-Y463 HydrophobicContact CD1-CD2 4.43Å; F459-Y463 AromaticContact CD1-CE2 4Å; F459-Y463 HydrophobicContact CD1-CE2 4Å; F459-Y463 WeakPolarHBondContact O-CD2 3.37Å; F459-Y463 PolarHBondContact O-N 3.36Å; F459-I481 HydrophobicContact CD1-CG2 3.82Å; F459-I481 HydrophobicContact CE1-CG2 3.93Å; F459-A484 HydrophobicContact CE1-CB 3.93Å; F459-A484 HydrophobicContact CZ-CB 3.74Å; F459-V485 HydrophobicContact CD1-CG2 3.54Å; F459-V485 HydrophobicContact CE1-CG2 3.48Å; F459-V485 VanDerWaalsContact CE1-CG2 3.48Å; F459-V485 HydrophobicContact CG-CG2 4.28Å; F459-V485 HydrophobicContact CZ-CG2 4.19Å; F459-L488 HydrophobicContact CD2-CD1 3.86Å; F459-L488 HydrophobicContact CE2-CD1 3.75Å; F459-L488 HydrophobicContact CE2-CD2 3.98Å; F459-L488 HydrophobicContact CE2-CG 4.12Å; F459-L488 HydrophobicContact CZ-CD1 4.36Å; F459-L496 HydrophobicContact CB-CD1 3.97Å; F459-L496 HydrophobicContact CB-CD2 3.95Å
460	T	94.2	Very high	91.4	Very high	12 Å²	12	13.9 Å²	13.9	7%	0.074	7%	0.074	C	C	.	.	H	α-helix	trans	-54.9	-45.5	170.2	-55.2	0	0	0	0	111.3	L392 V456 L462 E464	L392-T460 HydrophobicContact CD2-CG2 3.67Å; V456-T460 PolarHBondContact O-N 2.92Å; V456-T460 PolarHBondContact O-OG1 2.82Å; V456-T460 VanDerWaalsContact O-OG1 3.04Å; T460-L462 PolarHBondContact O-N 3.29Å; T460-E464 HydrophobicContact CG2-CG 4.48Å; T460-E464 WeakPolarHBondContact O-CB 3.23Å; T460-E464 VanDerWaalsContact O-CG 3.31Å; T460-E464 WeakPolarHBondContact O-CG 3.47Å; T460-E464 PolarHBondContact O-N 3.04Å
461	I	94.2	Very high	90.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-67.1	-35.7	178.9	-67.2	163	0	0	0	112.4	F276 L282 V390 L395 N457 L458 F459	F276-I461 HydrophobicContact CE1-CG2 4.21Å; F276-I461 HydrophobicContact CZ-CG2 4.22Å; L282-I461 HydrophobicContact CD1-CB 4.4Å; L282-I461 HydrophobicContact CD1-CG2 3.61Å; L282-I461 HydrophobicContact CG-CG2 4.46Å; L282-I461 VanDerWaalsContact O-CD1 3.24Å; L282-I461 WeakPolarHBondContact O-CD1 3.35Å; V390-I461 HydrophobicContact CG1-CD1 4.43Å; V390-I461 HydrophobicContact CG1-CG1 4.05Å; V390-I461 HydrophobicContact CG2-CD1 3.89Å; V390-I461 HydrophobicContact CG2-CG1 4.05Å; L395-I461 HydrophobicContact CD1-CB 4.4Å; L395-I461 HydrophobicContact CD1-CG1 4.1Å; L395-I461 HydrophobicContact CD1-CG2 4.02Å; L395-I461 HydrophobicContact CD2-CG1 4.06Å; N457-I461 WeakPolarHBondContact O-CD1 3.31Å; N457-I461 VanDerWaalsContact O-CG1 3.28Å; N457-I461 WeakPolarHBondContact O-CG1 3.34Å; N457-I461 PolarHBondContact O-N 3.21Å; N457-I461 VanDerWaalsContact O-N 3.08Å; L458-I461 PolarHBondContact O-N 2.88Å; F459-I461 VanDerWaalsContact C-N 3.3Å; F459-I461 PolarHBondContact O-N 3.24Å
462	L	93.5	Very high	90.2	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.016	12%	0.115	C	C	.	.	H	α-helix	trans	-72.6	-40.6	178.6	-72.3	176.5	0	0	0	113	F276 L282 V419 L422 L458 F459 T460 C465 I481	F276-L462 HydrophobicContact CD1-CD2 4.13Å; F276-L462 HydrophobicContact CE1-CD2 4.31Å; L282-L462 HydrophobicContact CD2-CD1 4.41Å; L282-L462 HydrophobicContact CD2-CD2 3.87Å; L282-L462 HydrophobicContact CD2-CG 4.04Å; V419-L462 HydrophobicContact CB-CD2 4.45Å; V419-L462 HydrophobicContact CG1-CD1 4.46Å; V419-L462 HydrophobicContact CG1-CD2 3.91Å; V419-L462 HydrophobicContact CG2-CD2 3.6Å; L422-L462 HydrophobicContact CD2-CD1 4.25Å; L458-L462 HydrophobicContact CD2-CD1 3.64Å; L458-L462 HydrophobicContact CD2-CG 4.49Å; L458-L462 HydrophobicContact CG-CD1 4.45Å; L458-L462 WeakPolarHBondContact O-CG 3.49Å; L458-L462 PolarHBondContact O-N 3.22Å; L458-L462 VanDerWaalsContact O-N 3.09Å; F459-L462 HydrophobicContact CD1-CD1 4.45Å; F459-L462 PolarHBondContact O-N 2.84Å; T460-L462 PolarHBondContact O-N 3.29Å; L462-C465 WeakPolarHBondContact O-CB 3.29Å; L462-C465 PolarHBondContact O-N 2.93Å; L462-I481 HydrophobicContact CB-CD1 4.02Å; L462-I481 HydrophobicContact CB-CG1 4.36Å; L462-I481 HydrophobicContact CB-CG2 4.16Å; L462-I481 HydrophobicContact CD1-CG1 4.38Å; L462-I481 HydrophobicContact CD1-CG2 4.3Å
463	Y	92.3	Very high	89.2	Confident	1 Å²	1	21.5 Å²	21.5	0%	0.004	12%	0.118	C	C	.	.	H	α-helix	trans	-81.3	-21.4	179.5	-78.4	-75.5	0	0	0	113.9	F459 C465 L478 I481 N482 V485 W500 N521 L525 V557	F459-Y463 HydrophobicContact CB-CD2 4.43Å; F459-Y463 HydrophobicContact CD1-CD2 4.43Å; F459-Y463 AromaticContact CD1-CE2 4Å; F459-Y463 HydrophobicContact CD1-CE2 4Å; F459-Y463 WeakPolarHBondContact O-CD2 3.37Å; F459-Y463 PolarHBondContact O-N 3.36Å; Y463-C465 PolarHBondContact O-N 2.92Å; Y463-L478 HydrophobicContact CD1-CD1 4.21Å; Y463-L478 HydrophobicContact CE1-CD1 3.69Å; Y463-I481 HydrophobicContact CD2-CG2 3.89Å; Y463-I481 HydrophobicContact CE1-CG2 4.09Å; Y463-I481 HydrophobicContact CE2-CG2 3.29Å; Y463-I481 VanDerWaalsContact CZ-CG2 3.4Å; Y463-N482 PolarHBondContact OH-OD1 3.28Å; Y463-V485 HydrophobicContact CE2-CG2 3.66Å; Y463-V485 WeakPolarHBondContact OH-CG2 3.39Å; Y463-W500 HydrophobicContact CD1-CZ2 4.36Å; Y463-W500 HydrophobicContact CD2-CH2 4.35Å; Y463-W500 AromaticContact CD2-CZ2 3.56Å; Y463-W500 HydrophobicContact CD2-CZ2 3.56Å; Y463-W500 HydrophobicContact CE2-CH2 4.27Å; Y463-W500 AromaticContact CE2-CZ2 3.89Å; Y463-W500 HydrophobicContact CE2-CZ2 3.89Å; Y463-W500 AromaticContact CG-CZ2 3.8Å; Y463-W500 HydrophobicContact CG-CZ2 3.8Å; Y463-N521 PolarHBondContact O-ND2 3.22Å; Y463-N521 PolarHBondContact O-OD1 3.01Å; Y463-L525 HydrophobicContact CD1-CD1 3.63Å; Y463-L525 HydrophobicContact CD1-CD2 3.66Å; Y463-L525 HydrophobicContact CD1-CG 4.31Å; Y463-L525 HydrophobicContact CE1-CD1 3.74Å; Y463-L525 HydrophobicContact CE1-CD2 4.11Å; Y463-L525 HydrophobicContact CG-CD2 4.23Å; Y463-V557 HydrophobicContact CE1-CG1 4.38Å
464	E	89.9	Confident	88.4	Confident	14 Å²	14	21.1 Å²	21.1	7%	0.065	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-0.7	167.6	-72.9	-86.7	134	0	0	113.2	L392 L395 R396 W399 T460 P466 N521	L392-E464 HydrophobicContact CD2-CG 4.27Å; L395-E464 HydrophobicContact CD2-CB 3.7Å; L395-E464 HydrophobicContact CD2-CG 3.9Å; L395-E464 HydrophobicContact CG-CB 4.26Å; R396-E464 WeakPolarHBondContact CD-OE2 3.28Å; R396-E464 WeakPolarHBondContact CG-OE2 3.23Å; R396-E464 IonicContact CZ-OE1 3.78Å; R396-E464 IonicContact CZ-OE2 3.91Å; R396-E464 IonicContact NE-OE1 3.57Å; R396-E464 IonicContact NE-OE2 2.76Å; R396-E464 PolarHBondContact NE-OE2 2.86Å; R396-E464 IonicContact NH2-OE1 3.71Å; R396-E464 PolarHBondContact NH2-OE1 2.7Å; R396-E464 IonicContact NH2-OE2 3.05Å; W399-E464 PolarHBondContact NE1-O 3.01Å; T460-E464 HydrophobicContact CG2-CG 4.48Å; T460-E464 WeakPolarHBondContact O-CB 3.23Å; T460-E464 VanDerWaalsContact O-CG 3.31Å; T460-E464 WeakPolarHBondContact O-CG 3.47Å; T460-E464 PolarHBondContact O-N 3.04Å; E464-P466 VanDerWaalsContact O-CD 3.25Å; E464-P466 WeakPolarHBondContact O-CD 3.39Å; E464-N521 WeakPolarHBondContact CA-ND2 3.34Å; E464-N521 WeakPolarHBondContact OE1-CB 3.5Å; E464-N521 PolarHBondContact OE1-ND2 3.2Å
465	C	89.2	Confident	87.5	Confident	4 Å²	4	24 Å²	24	3%	0.027	13%	0.132	C	C	.	.			trans	-71.7	115.4	173.3	-177.6	0	0	0	0	110.6	W399 L462 Y463 F467 A468	W399-C465 HydrophobicContact CH2-CB 3.91Å; W399-C465 WeakPolarHBondContact CH2-SG 3.31Å; W399-C465 HydrophobicContact CZ2-CB 3.54Å; L462-C465 WeakPolarHBondContact O-CB 3.29Å; L462-C465 PolarHBondContact O-N 2.93Å; Y463-C465 PolarHBondContact O-N 2.92Å; C465-F467 PolarHBondContact O-N 3.44Å; C465-A468 HydrophobicContact CB-CB 4.38Å; C465-A468 WeakPolarHBondContact O-CB 3.46Å; C465-A468 PolarHBondContact O-N 2.66Å
466	P	85.6	Confident	86.4	Confident	48 Å²	48	28.4 Å²	28.4	31%	0.312	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-18.7	-176.1	-25.3	37.1	0	0	0	114.2	W399 V403 E464 A468 T469 D470	W399-P466 HydrophobicContact CB-CG 4.02Å; W399-P466 HydrophobicContact CG-CG 4.45Å; V403-P466 HydrophobicContact CG2-CB 4.04Å; V403-P466 HydrophobicContact CG2-CG 3.94Å; E464-P466 VanDerWaalsContact O-CD 3.25Å; E464-P466 WeakPolarHBondContact O-CD 3.39Å; P466-A468 VanDerWaalsContact C-N 3.32Å; P466-T469 PolarHBondContact O-OG1 2.83Å; P466-D470 PolarHBondContact O-N 2.96Å
467	F	84.2	Confident	85.9	Confident	6 Å²	6	28.4 Å²	28.4	3%	0.026	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-12.6	175	-49.5	-61.6	0	0	0	113.5	I402 V403 V412 L415 C465 L477	I402-F467 HydrophobicContact CG2-CE2 4.06Å; I402-F467 HydrophobicContact CG2-CZ 4.42Å; V403-F467 HydrophobicContact CG2-CE1 4.21Å; V403-F467 HydrophobicContact CG2-CE2 4.39Å; V403-F467 HydrophobicContact CG2-CZ 3.81Å; V412-F467 HydrophobicContact CG1-CB 4.41Å; V412-F467 HydrophobicContact CG1-CD1 4.48Å; V412-F467 HydrophobicContact CG1-CG 4.29Å; V412-F467 HydrophobicContact CG2-CD1 3.82Å; V412-F467 HydrophobicContact CG2-CD2 4.08Å; V412-F467 HydrophobicContact CG2-CE1 3.67Å; V412-F467 HydrophobicContact CG2-CE2 3.93Å; V412-F467 HydrophobicContact CG2-CG 4.04Å; V412-F467 HydrophobicContact CG2-CZ 3.73Å; L415-F467 HydrophobicContact CD1-CD2 4.21Å; L415-F467 HydrophobicContact CD1-CE2 4.25Å; C465-F467 PolarHBondContact O-N 3.44Å; F467-L477 HydrophobicContact CB-CD2 4.22Å
468	A	83.1	Confident	85.5	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-29.3	173	0	0	0	0	0	111.5	C465 P466 F474 L477 L478 I481	C465-A468 HydrophobicContact CB-CB 4.38Å; C465-A468 WeakPolarHBondContact O-CB 3.46Å; C465-A468 PolarHBondContact O-N 2.66Å; P466-A468 VanDerWaalsContact C-N 3.32Å; A468-F474 WeakPolarHBondContact O-CB 3.2Å; A468-L477 HydrophobicContact CB-CD2 3.96Å; A468-L477 HydrophobicContact CB-CG 4.21Å; A468-L478 HydrophobicContact CB-CD1 4.47Å; A468-I481 HydrophobicContact CB-CD1 4.19Å
469	T	80.9	Confident	85.1	Confident	26 Å²	26	29.6 Å²	29.6	16%	0.16	16%	0.16	C	C	.	.	S	Bend	trans	-98.7	3.5	176	56.6	0	0	0	0	113.7	P466 P471 C524 I528	P466-T469 PolarHBondContact O-OG1 2.83Å; T469-P471 WeakPolarHBondContact O-CD 3.39Å; T469-C524 HydrophobicContact CG2-CB 4.09Å; T469-I528 HydrophobicContact CG2-CG2 4.16Å
470	D	82.3	Confident	84.8	Confident	33 Å²	33	30.3 Å²	30.3	18%	0.176	17%	0.165	C	C	.	.			trans	-81.2	118.1	179.3	178.8	-3.6	0	0	0	110.5	P466 L472 H473 F474	P466-D470 PolarHBondContact O-N 2.96Å; D470-L472 PolarHBondContact O-N 2.82Å; D470-L472 WeakPolarHBondContact OD1-CB 3.48Å; D470-L472 PolarHBondContact OD1-N 2.7Å; D470-H473 HydrophobicContact CB-CB 4.37Å; D470-H473 PolarHBondContact O-N 3.03Å; D470-H473 IonicContact OD2-CE1 2.72Å; D470-H473 IonicContact OD2-CG 2.74Å; D470-H473 IonicContact OD2-ND1 3.22Å; D470-H473 PolarHBondContact OD2-ND1 3.37Å; D470-F474 WeakPolarHBondContact O-CB 3.37Å; D470-F474 PolarHBondContact O-N 2.86Å
471	P	80.8	Confident	84.7	Confident	82 Å²	82	29.8 Å²	29.8	53%	0.532	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-16.7	177.4	-26.1	35.9	0	0	0	115.1	T469 F474 I528	T469-P471 WeakPolarHBondContact O-CD 3.39Å; P471-F474 WeakPolarHBondContact O-CD1 3.22Å; P471-F474 VanDerWaalsContact O-CE1 3.31Å; P471-F474 WeakPolarHBondContact O-CE1 3.36Å; P471-I528 HydrophobicContact CB-CD1 4.49Å; P471-I528 HydrophobicContact CG-CD1 4.18Å
472	L	79.5	Confident	84.7	Confident	143 Å²	143	29.8 Å²	29.8	75%	0.749	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-14.2	175.5	-59.3	176.3	0	0	0	113.9	D470	D470-L472 PolarHBondContact O-N 2.82Å; D470-L472 WeakPolarHBondContact OD1-CB 3.48Å; D470-L472 PolarHBondContact OD1-N 2.7Å
473	H	75.2	Confident	84.7	Confident	22 Å²	22	33.5 Å²	33.5	10%	0.102	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.9	-14	-169.4	-64.1	103.7	0	0	0	115.1	Q409 D470 E475 L476	Q409-H473 PolarHBondContact NE2-NE2 2.9Å; D470-H473 HydrophobicContact CB-CB 4.37Å; D470-H473 PolarHBondContact O-N 3.03Å; D470-H473 IonicContact OD2-CE1 2.72Å; D470-H473 IonicContact OD2-CG 2.74Å; D470-H473 IonicContact OD2-ND1 3.22Å; D470-H473 PolarHBondContact OD2-ND1 3.37Å; H473-E475 PolarHBondContact O-N 3.31Å; H473-L476 PolarHBondContact O-N 3.11Å; H473-L476 VanDerWaalsContact O-N 3.11Å
474	F	76.5	Confident	84.8	Confident	9 Å²	9	33.5 Å²	33.5	4%	0.039	18%	0.175	C	C	.	.	H	α-helix	trans	-53.7	-43.8	-173	74.5	-72.2	0	0	0	113.9	A468 D470 P471 L476 L477 L478 I528 H532 L535	A468-F474 WeakPolarHBondContact O-CB 3.2Å; D470-F474 WeakPolarHBondContact O-CB 3.37Å; D470-F474 PolarHBondContact O-N 2.86Å; P471-F474 WeakPolarHBondContact O-CD1 3.22Å; P471-F474 VanDerWaalsContact O-CE1 3.31Å; P471-F474 WeakPolarHBondContact O-CE1 3.36Å; F474-L476 PolarHBondContact O-N 3.05Å; F474-L476 VanDerWaalsContact O-N 3.14Å; F474-L477 CarbonylContact O-C 3.56Å; F474-L477 PolarHBondContact O-N 3.18Å; F474-L478 HydrophobicContact CB-CB 4.16Å; F474-L478 HydrophobicContact CB-CD2 4.27Å; F474-L478 HydrophobicContact CD2-CD2 4.32Å; F474-L478 WeakPolarHBondContact O-CA 3.41Å; F474-L478 WeakPolarHBondContact O-CB 2.85Å; F474-L478 PolarHBondContact O-N 3.04Å; F474-I528 HydrophobicContact CB-CD1 4.12Å; F474-I528 HydrophobicContact CB-CG1 3.83Å; F474-I528 HydrophobicContact CD1-CD1 4.01Å; F474-I528 HydrophobicContact CD2-CD1 4.11Å; F474-I528 HydrophobicContact CD2-CG1 4.01Å; F474-I528 HydrophobicContact CE1-CD1 4.48Å; F474-I528 HydrophobicContact CG-CD1 3.81Å; F474-I528 HydrophobicContact CG-CG1 3.89Å; F474-H532 HydrophobicContact CD2-CB 4.23Å; F474-H532 HydrophobicContact CE2-CB 3.71Å; F474-H532 AromaticContact CE2-ND1 3.62Å; F474-L535 HydrophobicContact CZ-CD2 4.05Å
475	E	76.8	Confident	85	Confident	95 Å²	95	32.9 Å²	32.9	44%	0.444	17%	0.172	S	C	.	.	H	α-helix	trans	-55.6	-36.2	-179.9	-60.8	-168.3	149.3	0	0	113.3	H473 L479	H473-E475 PolarHBondContact O-N 3.31Å; E475-L479 HydrophobicContact CB-CD1 4.49Å; E475-L479 WeakPolarHBondContact O-CB 3.12Å; E475-L479 WeakPolarHBondContact O-CD1 3.41Å; E475-L479 WeakPolarHBondContact O-CG 3.44Å
476	L	73.8	Confident	85.2	Confident	92 Å²	92	34.7 Å²	34.7	48%	0.482	18%	0.183	S	C	.	.	H	α-helix	trans	-79.7	-22.2	-177.3	-65.2	175.1	0	0	0	112.8	M416 H473 F474 N480	M416-L476 HydrophobicContact CE-CD1 3.81Å; M416-L476 HydrophobicContact CG-CB 4.36Å; M416-L476 HydrophobicContact SD-CB 3.41Å; M416-L476 WeakPolarHBondContact SD-CB 3.36Å; M416-L476 HydrophobicContact SD-CD1 3.63Å; M416-L476 HydrophobicContact SD-CG 4.17Å; H473-L476 PolarHBondContact O-N 3.11Å; H473-L476 VanDerWaalsContact O-N 3.11Å; F474-L476 PolarHBondContact O-N 3.05Å; F474-L476 VanDerWaalsContact O-N 3.14Å; L476-N480 PolarHBondContact O-ND2 3.16Å
477	L	84.2	Confident	85.6	Confident	4 Å²	4	35.5 Å²	35.5	2%	0.021	18%	0.18	C	C	.	.	H	α-helix	trans	-114.5	-61.9	-174	-177.1	54.3	0	0	0	112.3	M416 V419 F467 A468 F474 L479 N480 I481	M416-L477 HydrophobicContact CG-CB 4.43Å; V419-L477 HydrophobicContact CB-CD1 3.73Å; V419-L477 HydrophobicContact CG1-CD1 3.66Å; V419-L477 HydrophobicContact CG2-CD1 3.98Å; F467-L477 HydrophobicContact CB-CD2 4.22Å; A468-L477 HydrophobicContact CB-CD2 3.96Å; A468-L477 HydrophobicContact CB-CG 4.21Å; F474-L477 CarbonylContact O-C 3.56Å; F474-L477 PolarHBondContact O-N 3.18Å; L477-L479 VanDerWaalsContact C-N 3.35Å; L477-L479 PolarHBondContact O-N 3.09Å; L477-N480 PolarHBondContact O-N 3.24Å; L477-N480 VanDerWaalsContact O-N 3.09Å; L477-I481 HydrophobicContact CD1-CD1 3.86Å; L477-I481 HydrophobicContact CD1-CG1 4.31Å; L477-I481 HydrophobicContact CG-CD1 3.82Å; L477-I481 WeakPolarHBondContact O-CG1 3.49Å; L477-I481 PolarHBondContact O-N 2.88Å
478	L	88.1	Confident	86.1	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-55.9	-43.1	-175.2	-170.5	66.8	0	0	0	112.5	Y463 A468 F474 N480 I481 N482 L525 I528 L529	Y463-L478 HydrophobicContact CD1-CD1 4.21Å; Y463-L478 HydrophobicContact CE1-CD1 3.69Å; A468-L478 HydrophobicContact CB-CD1 4.47Å; F474-L478 HydrophobicContact CB-CB 4.16Å; F474-L478 HydrophobicContact CB-CD2 4.27Å; F474-L478 HydrophobicContact CD2-CD2 4.32Å; F474-L478 WeakPolarHBondContact O-CA 3.41Å; F474-L478 WeakPolarHBondContact O-CB 2.85Å; F474-L478 PolarHBondContact O-N 3.04Å; L478-N480 VanDerWaalsContact C-N 3.29Å; L478-N480 PolarHBondContact O-N 3.26Å; L478-I481 PolarHBondContact O-N 3.2Å; L478-I481 VanDerWaalsContact O-N 3.09Å; L478-N482 WeakPolarHBondContact O-CB 3.34Å; L478-N482 VanDerWaalsContact O-CG 3.26Å; L478-N482 PolarHBondContact O-N 3.32Å; L478-N482 PolarHBondContact O-OD1 3.26Å; L478-L525 HydrophobicContact CD1-CD1 3.96Å; L478-I528 HydrophobicContact CD2-CG1 4.14Å; L478-I528 HydrophobicContact CD2-CG2 3.75Å; L478-L529 HydrophobicContact CD2-CD2 4.06Å; L478-L529 HydrophobicContact CG-CD2 4.47Å
479	L	87.2	Confident	86.6	Confident	25 Å²	25	37 Å²	37	13%	0.131	19%	0.19	C	C	.	.	H	α-helix	trans	-55.9	-42	176.7	-77.4	-177	0	0	0	113.2	E475 L477 R483 H532 Q550	E475-L479 HydrophobicContact CB-CD1 4.49Å; E475-L479 WeakPolarHBondContact O-CB 3.12Å; E475-L479 WeakPolarHBondContact O-CD1 3.41Å; E475-L479 WeakPolarHBondContact O-CG 3.44Å; L477-L479 VanDerWaalsContact C-N 3.35Å; L477-L479 PolarHBondContact O-N 3.09Å; L479-R483 WeakPolarHBondContact O-CB 3.28Å; L479-R483 PolarHBondContact O-N 2.58Å; L479-H532 VanDerWaalsContact CD2-CE1 3.46Å; L479-H532 WeakPolarHBondContact CD2-CE1 3.44Å; L479-H532 WeakPolarHBondContact CD2-NE2 3.27Å; L479-Q550 HydrophobicContact CD2-CB 4.06Å; L479-Q550 HydrophobicContact CD2-CG 4.16Å
480	N	88.8	Confident	87.1	Confident	16 Å²	16	38.7 Å²	38.7	9%	0.086	20%	0.198	C	C	.	.	H	α-helix	trans	-72.3	-33.2	179.9	-64.9	-82.2	0	0	0	111.2	V423 L476 L477 L478 A484	V423-N480 HydrophobicContact CB-CB 4.43Å; V423-N480 HydrophobicContact CG1-CB 4.36Å; V423-N480 WeakPolarHBondContact CG1-O 3.32Å; V423-N480 HydrophobicContact CG2-CB 4.16Å; V423-N480 VanDerWaalsContact CG2-O 3.3Å; V423-N480 WeakPolarHBondContact CG2-O 3.46Å; L476-N480 PolarHBondContact O-ND2 3.16Å; L477-N480 PolarHBondContact O-N 3.24Å; L477-N480 VanDerWaalsContact O-N 3.09Å; L478-N480 VanDerWaalsContact C-N 3.29Å; L478-N480 PolarHBondContact O-N 3.26Å; N480-A484 PolarHBondContact O-N 3.48Å
481	I	92.8	Very high	87.7	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-71.6	-47.8	176.6	-53.3	164.2	0	0	0	109.9	V419 F459 L462 Y463 A468 L477 L478 R483 A484 V485	V419-I481 HydrophobicContact CG1-CG1 4.08Å; F459-I481 HydrophobicContact CD1-CG2 3.82Å; F459-I481 HydrophobicContact CE1-CG2 3.93Å; L462-I481 HydrophobicContact CB-CD1 4.02Å; L462-I481 HydrophobicContact CB-CG1 4.36Å; L462-I481 HydrophobicContact CB-CG2 4.16Å; L462-I481 HydrophobicContact CD1-CG1 4.38Å; L462-I481 HydrophobicContact CD1-CG2 4.3Å; Y463-I481 HydrophobicContact CD2-CG2 3.89Å; Y463-I481 HydrophobicContact CE1-CG2 4.09Å; Y463-I481 HydrophobicContact CE2-CG2 3.29Å; Y463-I481 VanDerWaalsContact CZ-CG2 3.4Å; A468-I481 HydrophobicContact CB-CD1 4.19Å; L477-I481 HydrophobicContact CD1-CD1 3.86Å; L477-I481 HydrophobicContact CD1-CG1 4.31Å; L477-I481 HydrophobicContact CG-CD1 3.82Å; L477-I481 WeakPolarHBondContact O-CG1 3.49Å; L477-I481 PolarHBondContact O-N 2.88Å; L478-I481 PolarHBondContact O-N 3.2Å; L478-I481 VanDerWaalsContact O-N 3.09Å; I481-R483 PolarHBondContact O-N 2.86Å; I481-A484 WeakPolarHBondContact O-CA 3.33Å; I481-A484 WeakPolarHBondContact O-CB 3.32Å; I481-A484 PolarHBondContact O-N 3.16Å; I481-V485 PolarHBondContact O-N 3.29Å
482	N	94	Very high	88.3	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.1	-47.7	-179.8	-70.3	-2.5	0	0	0	112	Y463 L478 A484 V485 T486 L529 V557	Y463-N482 PolarHBondContact OH-OD1 3.28Å; L478-N482 WeakPolarHBondContact O-CB 3.34Å; L478-N482 VanDerWaalsContact O-CG 3.26Å; L478-N482 PolarHBondContact O-N 3.32Å; L478-N482 PolarHBondContact O-OD1 3.26Å; N482-A484 PolarHBondContact O-N 3.39Å; N482-V485 WeakPolarHBondContact O-CB 3.43Å; N482-V485 PolarHBondContact O-N 3.46Å; N482-V485 VanDerWaalsContact O-N 3.07Å; N482-T486 PolarHBondContact O-N 2.85Å; N482-T486 VanDerWaalsContact O-N 3.09Å; N482-L529 WeakPolarHBondContact ND2-CD2 3.45Å; N482-V557 HydrophobicContact CB-CG2 3.84Å
483	R	93.1	Very high	89.1	Confident	82 Å²	82	28.1 Å²	28.1	31%	0.309	14%	0.138	S	C	.	.	H	α-helix	trans	-57.3	-35.8	173.7	177.2	168.1	-65.2	138.9	19.2	113.1	L479 I481 T486 W487 E553	L479-R483 WeakPolarHBondContact O-CB 3.28Å; L479-R483 PolarHBondContact O-N 2.58Å; I481-R483 PolarHBondContact O-N 2.86Å; R483-T486 PolarHBondContact O-OG1 2.72Å; R483-W487 HydrophobicContact CG-CH2 4.05Å; R483-W487 HydrophobicContact CG-CZ2 3.45Å; R483-W487 VanDerWaalsContact CG-CZ2 3.45Å; R483-W487 PolarHBondContact O-NE1 3.23Å; R483-E553 WeakPolarHBondContact CG-OE1 3.29Å; R483-E553 IonicContact CZ-OE1 3.6Å; R483-E553 IonicContact CZ-OE2 3.6Å; R483-E553 IonicContact NE-OE1 3.74Å; R483-E553 PolarHBondContact NE-OE1 3Å; R483-E553 IonicContact NE-OE2 2.79Å; R483-E553 PolarHBondContact NE-OE2 3.45Å; R483-E553 IonicContact NH2-OE1 3.07Å; R483-E553 PolarHBondContact NH2-OE1 3.02Å; R483-E553 IonicContact NH2-OE2 2.8Å; R483-E553 PolarHBondContact NH2-OE2 3.06Å
484	A	94.1	Very high	90.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-76	-26.7	177.6	0	0	0	0	0	112.8	V423 L427 F459 N480 I481 N482 W487	V423-A484 HydrophobicContact CG1-CB 4.17Å; V423-A484 HydrophobicContact CG2-CB 4.07Å; L427-A484 HydrophobicContact CD1-CB 3.87Å; F459-A484 HydrophobicContact CE1-CB 3.93Å; F459-A484 HydrophobicContact CZ-CB 3.74Å; N480-A484 PolarHBondContact O-N 3.48Å; I481-A484 WeakPolarHBondContact O-CA 3.33Å; I481-A484 WeakPolarHBondContact O-CB 3.32Å; I481-A484 PolarHBondContact O-N 3.16Å; N482-A484 PolarHBondContact O-N 3.39Å; A484-W487 HydrophobicContact CB-CE3 4.28Å; A484-W487 HydrophobicContact CB-CZ3 4.38Å
485	V	95.2	Very high	91	Very high	1 Å²	1	29 Å²	29	1%	0.006	14%	0.144	C	C	.	.	H	α-helix	trans	-70.2	-38	171.7	174.1	0	0	0	0	111.5	F459 Y463 I481 N482 W487 L488 V557 I560	F459-V485 HydrophobicContact CD1-CG2 3.54Å; F459-V485 HydrophobicContact CE1-CG2 3.48Å; F459-V485 VanDerWaalsContact CE1-CG2 3.48Å; F459-V485 HydrophobicContact CG-CG2 4.28Å; F459-V485 HydrophobicContact CZ-CG2 4.19Å; Y463-V485 HydrophobicContact CE2-CG2 3.66Å; Y463-V485 WeakPolarHBondContact OH-CG2 3.39Å; I481-V485 PolarHBondContact O-N 3.29Å; N482-V485 WeakPolarHBondContact O-CB 3.43Å; N482-V485 PolarHBondContact O-N 3.46Å; N482-V485 VanDerWaalsContact O-N 3.07Å; V485-W487 PolarHBondContact O-N 2.97Å; V485-W487 VanDerWaalsContact O-N 3.12Å; V485-L488 HydrophobicContact CG1-CD1 4.41Å; V485-L488 WeakPolarHBondContact O-CB 3.48Å; V485-L488 PolarHBondContact O-N 3.1Å; V485-V557 HydrophobicContact CB-CG2 3.99Å; V485-V557 HydrophobicContact CG1-CG2 4Å; V485-I560 HydrophobicContact CG1-CD1 3.45Å; V485-I560 VanDerWaalsContact CG1-CD1 3.45Å
486	T	93	Very high	91.9	Very high	43 Å²	43	24.5 Å²	24.5	26%	0.264	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-9.5	177.7	59.6	0	0	0	0	114	N482 R483 E553 L556	N482-T486 PolarHBondContact O-N 2.85Å; N482-T486 VanDerWaalsContact O-N 3.09Å; R483-T486 PolarHBondContact O-OG1 2.72Å; T486-E553 HydrophobicContact CG2-CB 4.37Å; T486-E553 HydrophobicContact CG2-CG 4.2Å; T486-L556 HydrophobicContact CG2-CB 3.88Å; T486-L556 HydrophobicContact CG2-CD1 3.88Å
487	W	94.3	Very high	93	Very high	65 Å²	65	20.1 Å²	20.1	25%	0.246	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-4.8	170.1	-53.6	-25.7	0	0	0	114	V423 H428 L431 V432 R483 A484 V485	V423-W487 HydrophobicContact CG1-CH2 4.18Å; V423-W487 HydrophobicContact CG1-CZ3 4.16Å; H428-W487 HydrophobicContact CB-CH2 3.97Å; H428-W487 HydrophobicContact CB-CZ3 3.76Å; H428-W487 AromaticContact CD2-CH2 3.6Å; H428-W487 AromaticContact CD2-CZ2 3.8Å; L431-W487 HydrophobicContact CB-CB 3.9Å; L431-W487 HydrophobicContact CD1-CB 4.09Å; V432-W487 HydrophobicContact CG2-CB 4.06Å; V432-W487 HydrophobicContact CG2-CD2 3.54Å; V432-W487 HydrophobicContact CG2-CE3 3.9Å; V432-W487 HydrophobicContact CG2-CG 3.61Å; R483-W487 HydrophobicContact CG-CH2 4.05Å; R483-W487 HydrophobicContact CG-CZ2 3.45Å; R483-W487 VanDerWaalsContact CG-CZ2 3.45Å; R483-W487 PolarHBondContact O-NE1 3.23Å; A484-W487 HydrophobicContact CB-CE3 4.28Å; A484-W487 HydrophobicContact CB-CZ3 4.38Å; V485-W487 PolarHBondContact O-N 2.97Å; V485-W487 VanDerWaalsContact O-N 3.12Å
488	L	94.9	Very high	93.5	Very high	7 Å²	7	25.7 Å²	25.7	4%	0.037	12%	0.12	C	C	.	.	S	Bend	trans	-78.8	135.8	177.2	-67.4	176.3	0	0	0	111	L431 L455 F459 V485 I492 Q493	L431-L488 HydrophobicContact CD1-CD2 3.87Å; L431-L488 HydrophobicContact CD2-CD2 4.05Å; L455-L488 HydrophobicContact CB-CD2 4.46Å; L455-L488 HydrophobicContact CD1-CD2 4.32Å; L455-L488 HydrophobicContact CD2-CD2 4.39Å; F459-L488 HydrophobicContact CD2-CD1 3.86Å; F459-L488 HydrophobicContact CE2-CD1 3.75Å; F459-L488 HydrophobicContact CE2-CD2 3.98Å; F459-L488 HydrophobicContact CE2-CG 4.12Å; F459-L488 HydrophobicContact CZ-CD1 4.36Å; V485-L488 HydrophobicContact CG1-CD1 4.41Å; V485-L488 WeakPolarHBondContact O-CB 3.48Å; V485-L488 PolarHBondContact O-N 3.1Å; L488-I492 HydrophobicContact CB-CB 4.41Å; L488-I492 HydrophobicContact CD1-CG2 4.04Å; L488-I492 HydrophobicContact CD2-CB 4.38Å; L488-I492 HydrophobicContact CD2-CD1 4.34Å; L488-I492 HydrophobicContact CD2-CG2 3.99Å; L488-I492 HydrophobicContact CG-CG2 4.47Å; L488-Q493 HydrophobicContact CB-CG 3.9Å; L488-Q493 PolarHBondContact O-NE2 3.49Å
489	P	94	Very high	93.8	Very high	31 Å²	31	27 Å²	27	20%	0.201	13%	0.132	C	C	.	.			trans	-50.1	147.1	161.8	-29.4	36	0	0	0	112.8	L439 D440 T491 I492 Q493	L439-P489 HydrophobicContact CD2-CG 4.14Å; L439-P489 HydrophobicContact CG-CG 4.18Å; D440-P489 HydrophobicContact CB-CB 3.72Å; D440-P489 HydrophobicContact CB-CG 4.06Å; P489-T491 PolarHBondContact O-N 2.73Å; P489-T491 VanDerWaalsContact O-N 3.12Å; P489-I492 PolarHBondContact O-N 3.28Å; P489-Q493 PolarHBondContact O-N 2.97Å; P489-Q493 VanDerWaalsContact O-N 3.11Å
490	N	91.5	Very high	94.2	Very high	60 Å²	60	26.3 Å²	26.3	32%	0.321	13%	0.128	S	C	.	.	H	α-helix	trans	-51.7	-39.2	178.9	-78	-43.4	0	0	0	111.6	I492 Q493 V494 R559	N490-I492 VanDerWaalsContact C-N 3.33Å; N490-I492 PolarHBondContact O-N 2.96Å; N490-Q493 CarbonylContact O-C 3.3Å; N490-Q493 WeakPolarHBondContact O-CA 3.47Å; N490-Q493 WeakPolarHBondContact O-CB 3.26Å; N490-Q493 PolarHBondContact O-N 3.44Å; N490-Q493 VanDerWaalsContact O-N 3.08Å; N490-V494 WeakPolarHBondContact O-CB 3.45Å; N490-V494 WeakPolarHBondContact O-CG2 3.15Å; N490-V494 PolarHBondContact O-N 3.06Å; N490-R559 PolarHBondContact OD1-NH2 3.04Å
491	T	93	Very high	94.4	Very high	21 Å²	21	25.8 Å²	25.8	13%	0.129	13%	0.125	C	C	.	.	H	α-helix	trans	-53.5	-43.9	177	-42.2	0	0	0	0	113	D440 N442 P489 V494 M495	D440-T491 PolarHBondContact O-OG1 2.94Å; N442-T491 WeakPolarHBondContact OD1-CG2 3.47Å; P489-T491 PolarHBondContact O-N 2.73Å; P489-T491 VanDerWaalsContact O-N 3.12Å; T491-V494 PolarHBondContact O-N 2.87Å; T491-M495 WeakPolarHBondContact O-CG 3.26Å; T491-M495 PolarHBondContact O-N 3.31Å; T491-M495 VanDerWaalsContact O-N 3.12Å
492	I	95.2	Very high	94.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-76.8	-35.9	177.2	-56.1	177	0	0	0	110.9	L439 Q452 L455 V456 L488 P489 N490 V494 M495 L496	L439-I492 HydrophobicContact CD1-CD1 3.79Å; L439-I492 HydrophobicContact CD2-CD1 4.21Å; L439-I492 HydrophobicContact CG-CD1 3.8Å; Q452-I492 HydrophobicContact CB-CD1 4.3Å; Q452-I492 HydrophobicContact CB-CG1 4.14Å; Q452-I492 HydrophobicContact CG-CD1 3.94Å; Q452-I492 HydrophobicContact CG-CG1 3.87Å; L455-I492 HydrophobicContact CB-CG2 4.12Å; L455-I492 HydrophobicContact CD1-CD1 3.68Å; V456-I492 HydrophobicContact CG2-CG2 3.91Å; L488-I492 HydrophobicContact CB-CB 4.41Å; L488-I492 HydrophobicContact CD1-CG2 4.04Å; L488-I492 HydrophobicContact CD2-CB 4.38Å; L488-I492 HydrophobicContact CD2-CD1 4.34Å; L488-I492 HydrophobicContact CD2-CG2 3.99Å; L488-I492 HydrophobicContact CG-CG2 4.47Å; P489-I492 PolarHBondContact O-N 3.28Å; N490-I492 VanDerWaalsContact C-N 3.33Å; N490-I492 PolarHBondContact O-N 2.96Å; I492-V494 PolarHBondContact O-N 2.8Å; I492-M495 PolarHBondContact O-N 3.27Å; I492-L496 WeakPolarHBondContact O-CB 3.38Å; I492-L496 PolarHBondContact O-N 3.23Å
493	Q	96	Very high	94	Very high	15 Å²	15	31.6 Å²	31.6	7%	0.07	16%	0.157	C	C	.	.	H	α-helix	trans	-59.2	-37.5	171.5	-60.7	-177.8	26.8	0	0	111.1	L488 P489 N490 L496 C497 I560 F612	L488-Q493 HydrophobicContact CB-CG 3.9Å; L488-Q493 PolarHBondContact O-NE2 3.49Å; P489-Q493 PolarHBondContact O-N 2.97Å; P489-Q493 VanDerWaalsContact O-N 3.11Å; N490-Q493 CarbonylContact O-C 3.3Å; N490-Q493 WeakPolarHBondContact O-CA 3.47Å; N490-Q493 WeakPolarHBondContact O-CB 3.26Å; N490-Q493 PolarHBondContact O-N 3.44Å; N490-Q493 VanDerWaalsContact O-N 3.08Å; Q493-L496 PolarHBondContact O-N 2.76Å; Q493-C497 WeakPolarHBondContact O-CB 3.4Å; Q493-C497 PolarHBondContact O-N 2.83Å; Q493-I560 HydrophobicContact CB-CD1 3.91Å; Q493-I560 HydrophobicContact CB-CG1 4.38Å; Q493-I560 HydrophobicContact CG-CD1 3.94Å; Q493-F612 HydrophobicContact CB-CD2 4.15Å; Q493-F612 HydrophobicContact CB-CE2 3.57Å
494	V	95.7	Very high	93.7	Very high	11 Å²	11	27.8 Å²	27.8	7%	0.067	14%	0.143	C	C	.	.	H	α-helix	trans	-67.4	-44.6	177.6	162.7	0	0	0	0	111.3	N490 T491 I492 L496 C497 R498 F612 A615 L616	N490-V494 WeakPolarHBondContact O-CB 3.45Å; N490-V494 WeakPolarHBondContact O-CG2 3.15Å; N490-V494 PolarHBondContact O-N 3.06Å; T491-V494 PolarHBondContact O-N 2.87Å; I492-V494 PolarHBondContact O-N 2.8Å; V494-L496 VanDerWaalsContact C-N 3.31Å; V494-L496 PolarHBondContact O-N 2.81Å; V494-C497 WeakPolarHBondContact O-CB 3.44Å; V494-C497 PolarHBondContact O-N 2.97Å; V494-R498 PolarHBondContact O-N 2.7Å; V494-F612 HydrophobicContact CG2-CD2 3.8Å; V494-F612 HydrophobicContact CG2-CE2 3.71Å; V494-A615 HydrophobicContact CG2-CB 3.84Å; V494-L616 HydrophobicContact CB-CD2 4.45Å; V494-L616 HydrophobicContact CG1-CD2 3.89Å; V494-L616 HydrophobicContact CG1-CG 4.5Å; V494-L616 HydrophobicContact CG2-CD2 4.23Å; V494-L616 HydrophobicContact CG2-CG 4.06Å
495	M	95.6	Very high	93	Very high	39 Å²	39	33 Å²	33	19%	0.192	17%	0.166	C	C	.	.	H	α-helix	trans	-61.3	-40.3	173.1	-64.3	173	79.2	0	0	111.8	Q452 Q453 V456 T491 I492 A499	Q452-M495 HydrophobicContact CB-CE 4.5Å; Q452-M495 HydrophobicContact CB-SD 4.04Å; Q453-M495 HydrophobicContact CB-CE 4.45Å; V456-M495 HydrophobicContact CG2-CB 3.51Å; V456-M495 HydrophobicContact CG2-CE 4.3Å; V456-M495 HydrophobicContact CG2-CG 4.49Å; V456-M495 HydrophobicContact CG2-SD 4.24Å; T491-M495 WeakPolarHBondContact O-CG 3.26Å; T491-M495 PolarHBondContact O-N 3.31Å; T491-M495 VanDerWaalsContact O-N 3.12Å; I492-M495 PolarHBondContact O-N 3.27Å; M495-A499 WeakPolarHBondContact O-CB 3.38Å; M495-A499 PolarHBondContact O-N 3.17Å
496	L	95.9	Very high	92.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.5	-40.6	175.5	-177	61.9	0	0	0	112	V456 F459 I492 Q493 V494 A499 W500	V456-L496 HydrophobicContact CG1-CD1 4.48Å; F459-L496 HydrophobicContact CB-CD1 3.97Å; F459-L496 HydrophobicContact CB-CD2 3.95Å; I492-L496 WeakPolarHBondContact O-CB 3.38Å; I492-L496 PolarHBondContact O-N 3.23Å; Q493-L496 PolarHBondContact O-N 2.76Å; V494-L496 VanDerWaalsContact C-N 3.31Å; V494-L496 PolarHBondContact O-N 2.81Å; L496-A499 PolarHBondContact O-N 3.3Å; L496-W500 HydrophobicContact CD1-CZ2 4.16Å; L496-W500 HydrophobicContact CD2-CH2 4.2Å; L496-W500 HydrophobicContact CD2-CZ2 3.87Å; L496-W500 HydrophobicContact CG-CD2 4.3Å; L496-W500 HydrophobicContact CG-CH2 4.47Å; L496-W500 HydrophobicContact CG-CZ2 3.95Å; L496-W500 PolarHBondContact O-N 3.09Å
497	C	96.9	Very high	91.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.6	-49.8	174.9	-167	0	0	0	0	112	Q493 V494 A499 W500 A501 I560 A564 F612 L616	Q493-C497 WeakPolarHBondContact O-CB 3.4Å; Q493-C497 PolarHBondContact O-N 2.83Å; V494-C497 WeakPolarHBondContact O-CB 3.44Å; V494-C497 PolarHBondContact O-N 2.97Å; C497-A499 VanDerWaalsContact C-N 3.34Å; C497-A499 PolarHBondContact O-N 2.8Å; C497-W500 PolarHBondContact O-N 3.34Å; C497-A501 PolarHBondContact O-N 3.08Å; C497-I560 HydrophobicContact CB-CG2 3.87Å; C497-I560 PolarHBondContact SG-O 3.09Å; C497-I560 VanDerWaalsContact SG-O 3.4Å; C497-A564 PolarHBondContact SG-N 2.64Å; C497-F612 HydrophobicContact CB-CZ 3.85Å; C497-L616 HydrophobicContact CB-CD2 4.45Å
498	R	95.2	Very high	90.1	Very high	121 Å²	121	34 Å²	34	46%	0.457	18%	0.179	S	C	.	.	H	α-helix	trans	-64.1	-38.5	176.3	-69.2	178.2	178	178.3	0.4	111.6	V494 W500 A501 N502 L567 L616	V494-R498 PolarHBondContact O-N 2.7Å; R498-W500 PolarHBondContact O-N 3.11Å; R498-A501 PolarHBondContact O-N 3.43Å; R498-N502 WeakPolarHBondContact O-CB 3.38Å; R498-N502 VanDerWaalsContact O-CG 3.28Å; R498-N502 PolarHBondContact O-N 2.84Å; R498-N502 VanDerWaalsContact O-N 3.08Å; R498-N502 PolarHBondContact O-ND2 3.13Å; R498-L567 HydrophobicContact CG-CD1 4.03Å; R498-L616 HydrophobicContact CG-CD2 4.46Å; R498-L616 PolarHBondContact NH2-O 3.28Å
499	A	93.5	Very high	88.7	Confident	31 Å²	31	34.8 Å²	34.8	26%	0.256	19%	0.187	S	C	.	.	H	α-helix	trans	-63.8	-37.5	174.2	0	0	0	0	0	112.8	V456 M495 L496 C497 S503	V456-A499 HydrophobicContact CG1-CB 4.09Å; M495-A499 WeakPolarHBondContact O-CB 3.38Å; M495-A499 PolarHBondContact O-N 3.17Å; L496-A499 PolarHBondContact O-N 3.3Å; C497-A499 VanDerWaalsContact C-N 3.34Å; C497-A499 PolarHBondContact O-N 2.8Å; A499-S503 WeakPolarHBondContact O-CB 3.31Å; A499-S503 PolarHBondContact O-N 2.71Å
500	W	94.5	Very high	87.2	Confident	10 Å²	10	39.9 Å²	39.9	4%	0.038	21%	0.212	C	C	.	.	H	α-helix	trans	-70.6	-43.6	174.8	-75.4	-10.5	0	0	0	113	Y463 L496 C497 R498 N502 S503 L522 L525 V557 I560 V561 A564	Y463-W500 HydrophobicContact CD1-CZ2 4.36Å; Y463-W500 HydrophobicContact CD2-CH2 4.35Å; Y463-W500 AromaticContact CD2-CZ2 3.56Å; Y463-W500 HydrophobicContact CD2-CZ2 3.56Å; Y463-W500 HydrophobicContact CE2-CH2 4.27Å; Y463-W500 AromaticContact CE2-CZ2 3.89Å; Y463-W500 HydrophobicContact CE2-CZ2 3.89Å; Y463-W500 AromaticContact CG-CZ2 3.8Å; Y463-W500 HydrophobicContact CG-CZ2 3.8Å; L496-W500 HydrophobicContact CD1-CZ2 4.16Å; L496-W500 HydrophobicContact CD2-CH2 4.2Å; L496-W500 HydrophobicContact CD2-CZ2 3.87Å; L496-W500 HydrophobicContact CG-CD2 4.3Å; L496-W500 HydrophobicContact CG-CH2 4.47Å; L496-W500 HydrophobicContact CG-CZ2 3.95Å; L496-W500 PolarHBondContact O-N 3.09Å; C497-W500 PolarHBondContact O-N 3.34Å; R498-W500 PolarHBondContact O-N 3.11Å; W500-N502 PolarHBondContact O-N 3.27Å; W500-S503 WeakPolarHBondContact O-CB 3.3Å; W500-S503 PolarHBondContact O-N 2.97Å; W500-S503 PolarHBondContact O-OG 3.01Å; W500-L522 HydrophobicContact CB-CD1 4.16Å; W500-L522 HydrophobicContact CE3-CD1 4.25Å; W500-L525 HydrophobicContact CH2-CD2 3.8Å; W500-L525 HydrophobicContact CZ2-CD2 3.94Å; W500-L525 HydrophobicContact CZ3-CD2 4.16Å; W500-V557 HydrophobicContact CH2-CG1 4.16Å; W500-I560 HydrophobicContact CE3-CB 4.42Å; W500-I560 HydrophobicContact CE3-CG2 3.7Å; W500-I560 HydrophobicContact CH2-CG2 4.23Å; W500-I560 HydrophobicContact CZ3-CB 3.77Å; W500-I560 HydrophobicContact CZ3-CG2 3.43Å; W500-I560 VanDerWaalsContact CZ3-CG2 3.43Å; W500-V561 HydrophobicContact CE3-CG2 4.14Å; W500-V561 HydrophobicContact CH2-CG2 4.33Å; W500-V561 HydrophobicContact CZ3-CG2 3.59Å; W500-A564 HydrophobicContact CB-CB 3.94Å
501	A	94	Very high	86	Confident	4 Å²	4	40.3 Å²	40.3	3%	0.033	22%	0.219	C	C	.	.	H	α-helix	trans	-56.8	-49.8	174.3	0	0	0	0	0	111.3	C497 R498 S503 V504 L567 A568	C497-A501 PolarHBondContact O-N 3.08Å; R498-A501 PolarHBondContact O-N 3.43Å; A501-S503 PolarHBondContact O-N 3.16Å; A501-S503 VanDerWaalsContact O-N 3.09Å; A501-V504 WeakPolarHBondContact O-CG2 3.44Å; A501-V504 PolarHBondContact O-N 2.8Å; A501-L567 HydrophobicContact CB-CB 3.51Å; A501-L567 HydrophobicContact CB-CD1 4.24Å; A501-A568 HydrophobicContact CB-CB 4.3Å
502	N	90.4	Very high	84.7	Confident	118 Å²	118	45.6 Å²	45.6	63%	0.631	25%	0.252	S	S	*	.	H	α-helix	trans	-63.2	-19.8	177	-67	-13.2	0	0	0	113.8	R498 W500	R498-N502 WeakPolarHBondContact O-CB 3.38Å; R498-N502 VanDerWaalsContact O-CG 3.28Å; R498-N502 PolarHBondContact O-N 2.84Å; R498-N502 VanDerWaalsContact O-N 3.08Å; R498-N502 PolarHBondContact O-ND2 3.13Å; W500-N502 PolarHBondContact O-N 3.27Å
503	S	88.6	Confident	83.4	Confident	5 Å²	5	52.9 Å²	52.9	4%	0.035	29%	0.286	C	S	.	.	H	α-helix	trans	-78.7	-17.3	-176.6	80.3	0	0	0	0	115	R396 A499 W500 A501	R396-S503 PolarHBondContact NH1-O 3.03Å; R396-S503 PolarHBondContact NH2-O 3.27Å; A499-S503 WeakPolarHBondContact O-CB 3.31Å; A499-S503 PolarHBondContact O-N 2.71Å; W500-S503 WeakPolarHBondContact O-CB 3.3Å; W500-S503 PolarHBondContact O-N 2.97Å; W500-S503 PolarHBondContact O-OG 3.01Å; A501-S503 PolarHBondContact O-N 3.16Å; A501-S503 VanDerWaalsContact O-N 3.09Å
504	V	86.1	Confident	82	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.012	31%	0.306	C	S	.	.	H	α-helix	trans	-79.1	-34.7	-175.2	-54.3	0	0	0	0	112.6	A501 T506 T520 L522 A568 F627	A501-V504 WeakPolarHBondContact O-CG2 3.44Å; A501-V504 PolarHBondContact O-N 2.8Å; V504-T506 PolarHBondContact O-N 3.25Å; V504-T520 HydrophobicContact CB-CG2 4.03Å; V504-T520 HydrophobicContact CG1-CG2 4.36Å; V504-L522 HydrophobicContact CG1-CB 3.77Å; V504-L522 HydrophobicContact CG1-CD2 3.76Å; V504-L522 HydrophobicContact CG1-CG 4.42Å; V504-A568 HydrophobicContact CG2-CB 3.69Å; V504-F627 HydrophobicContact CB-CD1 4.47Å; V504-F627 HydrophobicContact CB-CE1 3.81Å; V504-F627 HydrophobicContact CB-CE2 4.21Å; V504-F627 HydrophobicContact CB-CZ 3.67Å; V504-F627 HydrophobicContact CG1-CD1 4.25Å; V504-F627 HydrophobicContact CG1-CE1 3.85Å; V504-F627 HydrophobicContact CG1-CZ 4.24Å; V504-F627 HydrophobicContact CG2-CD1 4.31Å; V504-F627 HydrophobicContact CG2-CD2 4Å; V504-F627 HydrophobicContact CG2-CE1 3.98Å; V504-F627 HydrophobicContact CG2-CE2 3.65Å; V504-F627 HydrophobicContact CG2-CG 4.33Å; V504-F627 HydrophobicContact CG2-CZ 3.64Å
505	H	79.4	Confident	80.8	Confident	108 Å²	108	55.6 Å²	55.6	50%	0.5	31%	0.306	S	S	.	.	S	Bend	trans	-76.5	-11.1	175.3	-49.3	-65.1	0	0	0	113
506	T	77	Confident	79.9	Confident	42 Å²	42	58.7 Å²	58.7	26%	0.258	32%	0.323	S	S	.	.	S	Bend	trans	-76	127.3	171.9	-61.3	0	0	0	0	109.2	L392 R396 V504	L392-T506 HydrophobicContact CB-CG2 4.16Å; L392-T506 HydrophobicContact CD1-CG2 4.47Å; R396-T506 PolarHBondContact NH1-O 2.87Å; V504-T506 PolarHBondContact O-N 3.25Å
507	P	72	Confident	78.9	Confident	44 Å²	44	61 Å²	61	29%	0.286	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-54.1	154.6	177.3	-29.8	36.9	0	0	0	114.4	R396 C511	R396-P507 PolarHBondContact NH1-O 3.38Å; R396-P507 VanDerWaalsContact NH1-O 3.14Å; P507-C511 HydrophobicContact CB-CB 4.45Å; P507-C511 WeakPolarHBondContact CB-O 3.18Å
508	L	72.6	Confident	78.1	Confident	45 Å²	45	66.8 Å²	66.8	24%	0.236	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-73.8	165	171.5	-64.3	175.3	0	0	0	111.4	N510 C511 P515 Q519	L508-N510 PolarHBondContact O-N 3.33Å; L508-N510 VanDerWaalsContact O-N 3.15Å; L508-C511 HydrophobicContact CB-CB 4.3Å; L508-C511 WeakPolarHBondContact O-CB 3.49Å; L508-C511 PolarHBondContact O-N 2.73Å; L508-P515 HydrophobicContact CD1-CB 3.76Å; L508-P515 HydrophobicContact CD1-CG 4.49Å; L508-P515 HydrophobicContact CG-CB 3.89Å; L508-P515 HydrophobicContact CG-CG 4.11Å; L508-Q519 HydrophobicContact CD1-CB 4.02Å; L508-Q519 WeakPolarHBondContact CD1-O 3.17Å
509	A	65.7	Low	77.3	Confident	24 Å²	24	66.3 Å²	66.3	20%	0.198	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	121.2	179.4	0	0	0	0	0	111.7	R396 C511	R396-A509 HydrophobicContact CB-CB 3.99Å; A509-C511 VanDerWaalsContact C-N 3.29Å
510	N	62.9	Low	76.9	Confident	137 Å²	137	64.9 Å²	64.9	73%	0.733	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	10.8	-177.3	-36.8	-70.8	0	0	0	115.6	L508	L508-N510 PolarHBondContact O-N 3.33Å; L508-N510 VanDerWaalsContact O-N 3.15Å
511	C	66.3	Low	76.5	Confident	70 Å²	70	65.5 Å²	65.5	47%	0.473	36%	0.361	S	S	.	.			trans	-97.1	151.3	169.1	-62.6	0	0	0	0	110.9	P507 L508 A509	P507-C511 HydrophobicContact CB-CB 4.45Å; P507-C511 WeakPolarHBondContact CB-O 3.18Å; L508-C511 HydrophobicContact CB-CB 4.3Å; L508-C511 WeakPolarHBondContact O-CB 3.49Å; L508-C511 PolarHBondContact O-N 2.73Å; A509-C511 VanDerWaalsContact C-N 3.29Å
512	T	65	Low	76.4	Confident	132 Å²	132	65.6 Å²	65.6	81%	0.81	36%	0.361	S	S	*	.	S	Bend	trans	-108.3	-19.1	173.5	47.9	0	0	0	0	113.6
513	E	67.5	Low	76.5	Confident	153 Å²	153	60.9 Å²	60.9	72%	0.715	33%	0.334	S	S	*	.	S	Bend	trans	-97.3	160.5	179.8	-69.1	163	-165.8	0	0	110.3
514	S	67.5	Low	76.6	Confident	70 Å²	70	63 Å²	63	49%	0.49	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-63.5	133.7	169	-174.4	0	0	0	0	109
515	P	70.1	Confident	76.9	Confident	12 Å²	12	63 Å²	63	8%	0.078	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-62.4	153	174.1	27.6	-35.7	0	0	0	111.4	L508 Q519 T520	L508-P515 HydrophobicContact CD1-CB 3.76Å; L508-P515 HydrophobicContact CD1-CG 4.49Å; L508-P515 HydrophobicContact CG-CB 3.89Å; L508-P515 HydrophobicContact CG-CG 4.11Å; P515-Q519 HydrophobicContact CB-CB 4.09Å; P515-T520 HydrophobicContact CB-CG2 4.31Å; P515-T520 HydrophobicContact CG-CG2 3.74Å
516	N	76.6	Confident	77.7	Confident	104 Å²	104	58 Å²	58	56%	0.556	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-60.5	144.8	161.5	-79	1.1	0	0	0	108.7	E518 Q519	N516-E518 VanDerWaalsContact C-N 3.26Å; N516-E518 PolarHBondContact O-N 3.06Å; N516-E518 VanDerWaalsContact O-N 3.09Å; N516-Q519 HydrophobicContact CB-CG 4.27Å; N516-Q519 WeakPolarHBondContact O-CB 3.44Å; N516-Q519 PolarHBondContact O-N 3.14Å
517	P	74.4	Confident	78.5	Confident	48 Å²	48	60.8 Å²	60.8	31%	0.312	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-48.6	-42.4	-177.1	-33.6	38.1	0	0	0	114.9	Q519 T520 W523 F627	P517-Q519 PolarHBondContact O-N 3.11Å; P517-Q519 VanDerWaalsContact O-N 3.14Å; P517-T520 WeakPolarHBondContact O-CB 3.45Å; P517-T520 WeakPolarHBondContact O-CG2 3.41Å; P517-T520 PolarHBondContact O-N 2.87Å; P517-T520 PolarHBondContact O-OG1 2.87Å; P517-W523 HydrophobicContact CB-CE3 3.41Å; P517-W523 VanDerWaalsContact CB-CE3 3.41Å; P517-W523 HydrophobicContact CB-CZ3 3.36Å; P517-W523 VanDerWaalsContact O-CB 3.3Å; P517-W523 WeakPolarHBondContact O-CB 3.32Å; P517-F627 HydrophobicContact CB-CD1 4.31Å; P517-F627 HydrophobicContact CB-CE1 3.72Å; P517-F627 HydrophobicContact CB-CE2 4.25Å; P517-F627 HydrophobicContact CB-CZ 3.68Å; P517-F627 HydrophobicContact CG-CE1 4.3Å; P517-F627 HydrophobicContact CG-CE2 3.92Å; P517-F627 HydrophobicContact CG-CZ 3.78Å
518	E	80.5	Confident	79.6	Confident	123 Å²	123	59.1 Å²	59.1	58%	0.575	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-60.7	-21.4	177.8	-58.1	-165.6	117.9	0	0	115.2	N516 W523 K527	N516-E518 VanDerWaalsContact C-N 3.26Å; N516-E518 PolarHBondContact O-N 3.06Å; N516-E518 VanDerWaalsContact O-N 3.09Å; E518-W523 HydrophobicContact CG-CD2 4.39Å; E518-W523 HydrophobicContact CG-CE3 4.44Å; E518-W523 HydrophobicContact CG-CH2 4.3Å; E518-W523 HydrophobicContact CG-CZ2 4.27Å; E518-W523 HydrophobicContact CG-CZ3 4.42Å; E518-K527 IonicContact OE1-NZ 2.64Å
519	Q	78.2	Confident	80.6	Confident	110 Å²	110	57 Å²	57	51%	0.514	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-91.4	-6	-180	-57.1	171.1	-8.5	0	0	111.9	L508 P515 N516 P517	L508-Q519 HydrophobicContact CD1-CB 4.02Å; L508-Q519 WeakPolarHBondContact CD1-O 3.17Å; P515-Q519 HydrophobicContact CB-CB 4.09Å; N516-Q519 HydrophobicContact CB-CG 4.27Å; N516-Q519 WeakPolarHBondContact O-CB 3.44Å; N516-Q519 PolarHBondContact O-N 3.14Å; P517-Q519 PolarHBondContact O-N 3.11Å; P517-Q519 VanDerWaalsContact O-N 3.14Å
520	T	85.6	Confident	82.1	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.012	31%	0.306	C	S	.	.	S	Bend	trans	-77.2	148.3	179.8	66.3	0	0	0	0	111.8	V504 P515 P517 L522 W523 C524 F627	V504-T520 HydrophobicContact CB-CG2 4.03Å; V504-T520 HydrophobicContact CG1-CG2 4.36Å; P515-T520 HydrophobicContact CB-CG2 4.31Å; P515-T520 HydrophobicContact CG-CG2 3.74Å; P517-T520 WeakPolarHBondContact O-CB 3.45Å; P517-T520 WeakPolarHBondContact O-CG2 3.41Å; P517-T520 PolarHBondContact O-N 2.87Å; P517-T520 PolarHBondContact O-OG1 2.87Å; T520-L522 PolarHBondContact O-N 2.91Å; T520-W523 PolarHBondContact O-N 2.77Å; T520-W523 VanDerWaalsContact O-N 3.14Å; T520-W523 PolarHBondContact OG1-N 2.67Å; T520-C524 PolarHBondContact O-N 3.26Å; T520-C524 PolarHBondContact O-SG 2.9Å; T520-C524 VanDerWaalsContact O-SG 3.37Å; T520-F627 HydrophobicContact CG2-CE1 3.84Å; T520-F627 HydrophobicContact CG2-CZ 3.77Å
521	N	87	Confident	83.6	Confident	23 Å²	23	54.5 Å²	54.5	12%	0.123	29%	0.291	C	S	.	.	H	α-helix	trans	-59.9	-30.5	173.6	-171.9	38.2	0	0	0	112.4	Y463 E464 C524 L525	Y463-N521 PolarHBondContact O-ND2 3.22Å; Y463-N521 PolarHBondContact O-OD1 3.01Å; E464-N521 WeakPolarHBondContact CA-ND2 3.34Å; E464-N521 WeakPolarHBondContact OE1-CB 3.5Å; E464-N521 PolarHBondContact OE1-ND2 3.2Å; N521-C524 PolarHBondContact O-N 2.74Å; N521-L525 VanDerWaalsContact O-CB 3.27Å; N521-L525 WeakPolarHBondContact O-CB 3.41Å; N521-L525 PolarHBondContact O-N 3.33Å
522	L	91.7	Very high	84.8	Confident	5 Å²	5	51.2 Å²	51.2	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-63.2	-43.1	175.5	-169.4	64.7	0	0	0	111.8	W500 V504 T520 L525 Q526 V561 A564 I628	W500-L522 HydrophobicContact CB-CD1 4.16Å; W500-L522 HydrophobicContact CE3-CD1 4.25Å; V504-L522 HydrophobicContact CG1-CB 3.77Å; V504-L522 HydrophobicContact CG1-CD2 3.76Å; V504-L522 HydrophobicContact CG1-CG 4.42Å; T520-L522 PolarHBondContact O-N 2.91Å; L522-L525 PolarHBondContact O-N 3.45Å; L522-Q526 WeakPolarHBondContact O-CB 2.96Å; L522-Q526 PolarHBondContact O-N 2.88Å; L522-V561 HydrophobicContact CD1-CB 4.36Å; L522-V561 HydrophobicContact CD1-CG1 3.82Å; L522-V561 HydrophobicContact CD1-CG2 4.4Å; L522-V561 HydrophobicContact CG-CG1 4.25Å; L522-A564 HydrophobicContact CD1-CB 4.11Å; L522-A564 HydrophobicContact CD2-CB 4.11Å; L522-I628 HydrophobicContact CG-CD1 4.26Å
523	W	91.9	Very high	86.2	Confident	19 Å²	19	45 Å²	45	7%	0.072	23%	0.23	C	C	.	.	H	α-helix	trans	-71.2	-39	175	-154.6	-39.2	0	0	0	111.5	P517 E518 T520 L525 Q526 K527 I628 P629 D632	P517-W523 HydrophobicContact CB-CE3 3.41Å; P517-W523 VanDerWaalsContact CB-CE3 3.41Å; P517-W523 HydrophobicContact CB-CZ3 3.36Å; P517-W523 VanDerWaalsContact O-CB 3.3Å; P517-W523 WeakPolarHBondContact O-CB 3.32Å; E518-W523 HydrophobicContact CG-CD2 4.39Å; E518-W523 HydrophobicContact CG-CE3 4.44Å; E518-W523 HydrophobicContact CG-CH2 4.3Å; E518-W523 HydrophobicContact CG-CZ2 4.27Å; E518-W523 HydrophobicContact CG-CZ3 4.42Å; T520-W523 PolarHBondContact O-N 2.77Å; T520-W523 VanDerWaalsContact O-N 3.14Å; T520-W523 PolarHBondContact OG1-N 2.67Å; W523-L525 VanDerWaalsContact C-N 3.3Å; W523-L525 PolarHBondContact O-N 3.42Å; W523-Q526 WeakPolarHBondContact O-CB 3.24Å; W523-Q526 PolarHBondContact O-N 3.25Å; W523-K527 VanDerWaalsContact NE1-NZ 3.11Å; W523-K527 PolarHBondContact O-N 3.02Å; W523-I628 HydrophobicContact CB-CD1 4.08Å; W523-I628 HydrophobicContact CB-CG1 4.46Å; W523-I628 HydrophobicContact CD2-CB 4.49Å; W523-I628 HydrophobicContact CD2-CD1 4.37Å; W523-I628 HydrophobicContact CD2-CG1 3.98Å; W523-I628 HydrophobicContact CD2-CG2 4.04Å; W523-I628 HydrophobicContact CE3-CB 4.26Å; W523-I628 HydrophobicContact CE3-CG1 3.72Å; W523-I628 HydrophobicContact CE3-CG2 4.22Å; W523-I628 HydrophobicContact CG-CD1 4.16Å; W523-I628 HydrophobicContact CG-CG1 4.29Å; W523-I628 HydrophobicContact CH2-CG2 4.28Å; W523-I628 HydrophobicContact CZ2-CG2 4.05Å; W523-I628 HydrophobicContact CZ3-CB 4.37Å; W523-I628 HydrophobicContact CZ3-CG1 4.26Å; W523-I628 HydrophobicContact CZ3-CG2 4.31Å; W523-P629 VanDerWaalsContact CH2-CD 3.42Å; W523-P629 HydrophobicContact CH2-CG 4.29Å; W523-D632 WeakPolarHBondContact CZ2-OD2 3.28Å
524	C	91	Very high	87.5	Confident	50 Å²	50	39.3 Å²	39.3	34%	0.338	21%	0.206	S	C	.	.	H	α-helix	trans	-58.6	-42	172.8	-63.5	0	0	0	0	112.1	T469 T520 N521 I528	T469-C524 HydrophobicContact CG2-CB 4.09Å; T520-C524 PolarHBondContact O-N 3.26Å; T520-C524 PolarHBondContact O-SG 2.9Å; T520-C524 VanDerWaalsContact O-SG 3.37Å; N521-C524 PolarHBondContact O-N 2.74Å; C524-I528 WeakPolarHBondContact O-CG2 3.28Å; C524-I528 PolarHBondContact O-N 2.94Å; C524-I528 VanDerWaalsContact O-N 3.07Å
525	L	93.2	Very high	88.7	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-66.4	-42.7	176.1	-178	56.4	0	0	0	111.9	Y463 L478 W500 N521 L522 W523 I528 L529 V561	Y463-L525 HydrophobicContact CD1-CD1 3.63Å; Y463-L525 HydrophobicContact CD1-CD2 3.66Å; Y463-L525 HydrophobicContact CD1-CG 4.31Å; Y463-L525 HydrophobicContact CE1-CD1 3.74Å; Y463-L525 HydrophobicContact CE1-CD2 4.11Å; Y463-L525 HydrophobicContact CG-CD2 4.23Å; L478-L525 HydrophobicContact CD1-CD1 3.96Å; W500-L525 HydrophobicContact CH2-CD2 3.8Å; W500-L525 HydrophobicContact CZ2-CD2 3.94Å; W500-L525 HydrophobicContact CZ3-CD2 4.16Å; N521-L525 VanDerWaalsContact O-CB 3.27Å; N521-L525 WeakPolarHBondContact O-CB 3.41Å; N521-L525 PolarHBondContact O-N 3.33Å; L522-L525 PolarHBondContact O-N 3.45Å; W523-L525 VanDerWaalsContact C-N 3.3Å; W523-L525 PolarHBondContact O-N 3.42Å; L525-I528 HydrophobicContact CD1-CG2 4.3Å; L525-I528 WeakPolarHBondContact O-CG2 3.44Å; L525-L529 HydrophobicContact CD1-CD1 3.83Å; L525-L529 HydrophobicContact CD1-CG 3.97Å; L525-L529 HydrophobicContact CG-CD1 3.87Å; L525-L529 HydrophobicContact CG-CG 4.46Å; L525-L529 WeakPolarHBondContact O-CB 3.25Å; L525-L529 WeakPolarHBondContact O-CD1 3.23Å; L525-L529 WeakPolarHBondContact O-CG 3.43Å; L525-L529 PolarHBondContact O-N 3.08Å; L525-L529 VanDerWaalsContact O-N 3.08Å; L525-V561 HydrophobicContact CD2-CG2 3.79Å; L525-V561 HydrophobicContact CG-CG2 3.97Å
526	Q	95.5	Very high	89.7	Confident	3 Å²	3	39.6 Å²	39.6	1%	0.014	20%	0.199	C	C	.	.	H	α-helix	trans	-56.3	-51.5	174.2	-169.2	-85.4	-3.8	0	0	111.5	L522 W523 L529 L530 L558 V561 I628 D632 F633	L522-Q526 WeakPolarHBondContact O-CB 2.96Å; L522-Q526 PolarHBondContact O-N 2.88Å; W523-Q526 WeakPolarHBondContact O-CB 3.24Å; W523-Q526 PolarHBondContact O-N 3.25Å; Q526-L529 PolarHBondContact O-N 2.93Å; Q526-L530 PolarHBondContact O-N 2.89Å; Q526-L558 HydrophobicContact CG-CD1 4.16Å; Q526-V561 HydrophobicContact CB-CG1 3.82Å; Q526-V561 HydrophobicContact CG-CG1 4.16Å; Q526-I628 HydrophobicContact CB-CD1 3.79Å; Q526-I628 HydrophobicContact CG-CD1 3.89Å; Q526-I628 HydrophobicContact CG-CG2 4.28Å; Q526-D632 VanDerWaalsContact NE2-C 3.27Å; Q526-D632 PolarHBondContact NE2-O 3.44Å; Q526-F633 HydrophobicContact CG-CD1 3.97Å; Q526-F633 HydrophobicContact CG-CE1 3.55Å; Q526-F633 HydrophobicContact CG-CE2 4.41Å; Q526-F633 HydrophobicContact CG-CZ 3.79Å
527	K	94.2	Very high	90.4	Very high	101 Å²	101	36.4 Å²	36.4	44%	0.439	18%	0.184	S	C	.	.	H	α-helix	trans	-64.2	-42.8	-178.9	-84.4	171.4	170.4	149.5	0	112.6	E518 W523 H531	E518-K527 IonicContact OE1-NZ 2.64Å; W523-K527 VanDerWaalsContact NE1-NZ 3.11Å; W523-K527 PolarHBondContact O-N 3.02Å; K527-H531 WeakPolarHBondContact O-CB 3.42Å; K527-H531 PolarHBondContact O-N 3.39Å
528	I	93.5	Very high	91.3	Very high	8 Å²	8	39.9 Å²	39.9	4%	0.041	20%	0.2	C	C	.	.	H	α-helix	trans	-72.5	-32.7	-178.9	-163.4	64.2	0	0	0	112.7	T469 P471 F474 L478 C524 L525 H531 H532	T469-I528 HydrophobicContact CG2-CG2 4.16Å; P471-I528 HydrophobicContact CB-CD1 4.49Å; P471-I528 HydrophobicContact CG-CD1 4.18Å; F474-I528 HydrophobicContact CB-CD1 4.12Å; F474-I528 HydrophobicContact CB-CG1 3.83Å; F474-I528 HydrophobicContact CD1-CD1 4.01Å; F474-I528 HydrophobicContact CD2-CD1 4.11Å; F474-I528 HydrophobicContact CD2-CG1 4.01Å; F474-I528 HydrophobicContact CE1-CD1 4.48Å; F474-I528 HydrophobicContact CG-CD1 3.81Å; F474-I528 HydrophobicContact CG-CG1 3.89Å; L478-I528 HydrophobicContact CD2-CG1 4.14Å; L478-I528 HydrophobicContact CD2-CG2 3.75Å; C524-I528 WeakPolarHBondContact O-CG2 3.28Å; C524-I528 PolarHBondContact O-N 2.94Å; C524-I528 VanDerWaalsContact O-N 3.07Å; L525-I528 HydrophobicContact CD1-CG2 4.3Å; L525-I528 WeakPolarHBondContact O-CG2 3.44Å; I528-H531 PolarHBondContact O-N 2.68Å; I528-H532 WeakPolarHBondContact O-CB 3.4Å; I528-H532 PolarHBondContact O-N 3.11Å
529	L	95.4	Very high	91.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-67	-43.5	175.6	-72.8	169.6	0	0	0	111.4	L478 N482 L525 Q526 H532 I533 A554 V557 L558 V561	L478-L529 HydrophobicContact CD2-CD2 4.06Å; L478-L529 HydrophobicContact CG-CD2 4.47Å; N482-L529 WeakPolarHBondContact ND2-CD2 3.45Å; L525-L529 HydrophobicContact CD1-CD1 3.83Å; L525-L529 HydrophobicContact CD1-CG 3.97Å; L525-L529 HydrophobicContact CG-CD1 3.87Å; L525-L529 HydrophobicContact CG-CG 4.46Å; L525-L529 WeakPolarHBondContact O-CB 3.25Å; L525-L529 WeakPolarHBondContact O-CD1 3.23Å; L525-L529 WeakPolarHBondContact O-CG 3.43Å; L525-L529 PolarHBondContact O-N 3.08Å; L525-L529 VanDerWaalsContact O-N 3.08Å; Q526-L529 PolarHBondContact O-N 2.93Å; L529-H532 PolarHBondContact O-N 3.22Å; L529-I533 WeakPolarHBondContact O-CG1 3.43Å; L529-I533 PolarHBondContact O-N 3.37Å; L529-A554 HydrophobicContact CD2-CB 4.09Å; L529-V557 HydrophobicContact CD1-CB 4.35Å; L529-V557 HydrophobicContact CD1-CG1 3.81Å; L529-V557 HydrophobicContact CD2-CG1 4.4Å; L529-L558 HydrophobicContact CB-CD1 4.07Å; L529-L558 HydrophobicContact CD1-CB 4.31Å; L529-L558 HydrophobicContact CD1-CD1 4.03Å; L529-V561 HydrophobicContact CD1-CG2 4.02Å
530	L	95.8	Very high	91.6	Very high	19 Å²	19	34.4 Å²	34.4	10%	0.099	18%	0.182	C	C	.	.	H	α-helix	trans	-63.9	-44.3	173.1	-73	173.4	0	0	0	112.1	Q526 H532 I533 T534 L558 D632 F633 N635 L668	Q526-L530 PolarHBondContact O-N 2.89Å; L530-H532 VanDerWaalsContact C-N 3.28Å; L530-H532 PolarHBondContact O-N 2.77Å; L530-I533 PolarHBondContact O-N 2.98Å; L530-T534 PolarHBondContact O-N 2.76Å; L530-T534 PolarHBondContact O-OG1 2.92Å; L530-L558 HydrophobicContact CD2-CD2 3.66Å; L530-L558 HydrophobicContact CG-CD2 4.08Å; L530-D632 WeakPolarHBondContact CD1-O 3.2Å; L530-F633 WeakPolarHBondContact CD2-O 3.43Å; L530-N635 HydrophobicContact CD2-CB 3.88Å; L530-N635 PolarHBondContact O-ND2 3.22Å; L530-L668 HydrophobicContact CD2-CD2 3.99Å
531	H	93.8	Very high	90.9	Very high	91 Å²	91	42.4 Å²	42.4	42%	0.421	23%	0.225	S	C	.	.	H	α-helix	trans	-60.1	-39.3	176.8	-175.5	62.3	0	0	0	111.9	K527 I528 L535	K527-H531 WeakPolarHBondContact O-CB 3.42Å; K527-H531 PolarHBondContact O-N 3.39Å; I528-H531 PolarHBondContact O-N 2.68Å; H531-L535 VanDerWaalsContact O-CB 3.28Å; H531-L535 WeakPolarHBondContact O-CB 3.43Å; H531-L535 PolarHBondContact O-N 2.88Å
532	H	92.7	Very high	89.9	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-47.7	173.4	177.8	64.6	0	0	0	112.3	F474 L479 I528 L529 L530 L535 R536	F474-H532 HydrophobicContact CD2-CB 4.23Å; F474-H532 HydrophobicContact CE2-CB 3.71Å; F474-H532 AromaticContact CE2-ND1 3.62Å; L479-H532 VanDerWaalsContact CD2-CE1 3.46Å; L479-H532 WeakPolarHBondContact CD2-CE1 3.44Å; L479-H532 WeakPolarHBondContact CD2-NE2 3.27Å; I528-H532 WeakPolarHBondContact O-CB 3.4Å; I528-H532 PolarHBondContact O-N 3.11Å; L529-H532 PolarHBondContact O-N 3.22Å; L530-H532 VanDerWaalsContact C-N 3.28Å; L530-H532 PolarHBondContact O-N 2.77Å; H532-L535 PolarHBondContact O-N 3.28Å; H532-R536 WeakPolarHBondContact CE1-CG 3.4Å; H532-R536 WeakPolarHBondContact O-CB 3.36Å; H532-R536 WeakPolarHBondContact O-CG 3.43Å; H532-R536 PolarHBondContact O-N 3.32Å
533	I	94.6	Very high	89.2	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-57.6	-51.9	177.1	-71	167.5	0	0	0	110.3	L529 L530 L535 R536 C537 I551 A554 A555 L638 L668	L529-I533 WeakPolarHBondContact O-CG1 3.43Å; L529-I533 PolarHBondContact O-N 3.37Å; L530-I533 PolarHBondContact O-N 2.98Å; I533-L535 PolarHBondContact O-N 2.78Å; I533-R536 PolarHBondContact O-N 3Å; I533-C537 PolarHBondContact O-N 2.7Å; I533-C537 PolarHBondContact O-SG 3.29Å; I533-C537 VanDerWaalsContact O-SG 3.33Å; I533-I551 HydrophobicContact CG1-CG2 4.24Å; I533-I551 HydrophobicContact CG2-CG2 4.06Å; I533-A554 HydrophobicContact CD1-CB 4.21Å; I533-A554 HydrophobicContact CG1-CB 3.96Å; I533-A555 HydrophobicContact CD1-CB 4.32Å; I533-L638 HydrophobicContact CG2-CB 4.13Å; I533-L638 HydrophobicContact CG2-CD1 4.46Å; I533-L638 HydrophobicContact CG2-CD2 4.38Å; I533-L668 HydrophobicContact CD1-CD2 4.45Å
534	T	94.8	Very high	89.1	Confident	34 Å²	34	47.3 Å²	47.3	21%	0.209	27%	0.265	C	S	.	.	H	α-helix	trans	-57.8	-46	177.4	-65.3	0	0	0	0	112	L530 R536 C537 L538 N635 T637	L530-T534 PolarHBondContact O-N 2.76Å; L530-T534 PolarHBondContact O-OG1 2.92Å; T534-R536 PolarHBondContact O-N 3.44Å; T534-C537 PolarHBondContact O-N 3.34Å; T534-L538 HydrophobicContact CG2-CD1 3.93Å; T534-L538 VanDerWaalsContact O-CG 3.32Å; T534-L538 WeakPolarHBondContact O-CG 3.48Å; T534-L538 PolarHBondContact O-N 3.12Å; T534-L538 VanDerWaalsContact O-N 3.1Å; T534-N635 PolarHBondContact OG1-ND2 3.05Å; T534-N635 PolarHBondContact OG1-OD1 2.74Å; T534-T637 HydrophobicContact CG2-CG2 4.34Å
535	L	92	Very high	89.2	Confident	51 Å²	51	45.4 Å²	45.4	27%	0.267	25%	0.252	S	S	.	.	H	α-helix	trans	-62	-42.8	178.4	-175.7	65.5	0	0	0	111.4	F474 H531 H532 I533 L538 T539	F474-L535 HydrophobicContact CZ-CD2 4.05Å; H531-L535 VanDerWaalsContact O-CB 3.28Å; H531-L535 WeakPolarHBondContact O-CB 3.43Å; H531-L535 PolarHBondContact O-N 2.88Å; H532-L535 PolarHBondContact O-N 3.28Å; I533-L535 PolarHBondContact O-N 2.78Å; L535-L538 PolarHBondContact O-N 2.83Å; L535-T539 HydrophobicContact CD1-CG2 3.77Å; L535-T539 HydrophobicContact CG-CG2 4.29Å; L535-T539 WeakPolarHBondContact O-CB 3.37Å; L535-T539 VanDerWaalsContact O-CG2 3.29Å; L535-T539 WeakPolarHBondContact O-CG2 3.23Å; L535-T539 PolarHBondContact O-N 3.38Å; L535-T539 VanDerWaalsContact O-N 3.08Å; L535-T539 PolarHBondContact O-OG1 2.94Å
536	R	91.4	Very high	89.2	Confident	38 Å²	38	45.3 Å²	45.3	14%	0.143	25%	0.252	C	S	.	.	H	α-helix	trans	-64.9	-43.1	177.6	-71.6	-66	-63.6	161.1	-4	112.4	H532 I533 T534 L538 T539 T540 D548 I551	H532-R536 WeakPolarHBondContact CE1-CG 3.4Å; H532-R536 WeakPolarHBondContact O-CB 3.36Å; H532-R536 WeakPolarHBondContact O-CG 3.43Å; H532-R536 PolarHBondContact O-N 3.32Å; I533-R536 PolarHBondContact O-N 3Å; T534-R536 PolarHBondContact O-N 3.44Å; R536-L538 PolarHBondContact O-N 2.93Å; R536-T539 PolarHBondContact O-N 3.25Å; R536-T540 PolarHBondContact NH1-OG1 2.92Å; R536-T540 WeakPolarHBondContact O-CB 3.38Å; R536-T540 PolarHBondContact O-N 3.14Å; R536-T540 PolarHBondContact O-OG1 3.45Å; R536-D548 IonicContact CZ-OD2 2.87Å; R536-D548 IonicContact NE-OD1 2.68Å; R536-D548 IonicContact NE-OD2 3.37Å; R536-D548 PolarHBondContact NE-OD2 2.88Å; R536-D548 VanDerWaalsContact NH2-CG 3.28Å; R536-D548 IonicContact NH2-OD1 3.68Å; R536-D548 PolarHBondContact NH2-OD1 2.84Å; R536-D548 IonicContact NH2-OD2 2.67Å; R536-D548 PolarHBondContact NH2-OD2 3.47Å; R536-I551 HydrophobicContact CB-CD1 3.77Å; R536-I551 HydrophobicContact CB-CG1 3.56Å; R536-I551 HydrophobicContact CG-CG1 4.29Å
537	C	92.3	Very high	89	Confident	36 Å²	36	49.1 Å²	49.1	24%	0.243	27%	0.27	C	S	.	.	H	α-helix	trans	-57.4	-36.2	173.2	-68.3	0	0	0	0	112.7	I533 T534 T637	I533-C537 PolarHBondContact O-N 2.7Å; I533-C537 PolarHBondContact O-SG 3.29Å; I533-C537 VanDerWaalsContact O-SG 3.33Å; T534-C537 PolarHBondContact O-N 3.34Å; C537-T637 HydrophobicContact CB-CG2 3.91Å
538	L	91.7	Very high	88.9	Confident	122 Å²	122	44.5 Å²	44.5	64%	0.639	25%	0.25	S	C	*	.	H	α-helix	trans	-86.5	-16	-177.5	-66.5	172.2	0	0	0	115.1	T534 L535 R536 T637	T534-L538 HydrophobicContact CG2-CD1 3.93Å; T534-L538 VanDerWaalsContact O-CG 3.32Å; T534-L538 WeakPolarHBondContact O-CG 3.48Å; T534-L538 PolarHBondContact O-N 3.12Å; T534-L538 VanDerWaalsContact O-N 3.1Å; L535-L538 PolarHBondContact O-N 2.83Å; R536-L538 PolarHBondContact O-N 2.93Å; L538-T637 HydrophobicContact CD1-CG2 4.42Å; L538-T637 HydrophobicContact CD2-CG2 3.75Å; L538-T637 HydrophobicContact CG-CG2 3.84Å
539	T	88.8	Confident	88.8	Confident	86 Å²	86	50.3 Å²	50.3	53%	0.528	28%	0.275	S	S	.	.	H	α-helix	trans	-121.1	-2.9	-167.6	58	0	0	0	0	115.5	L535 R536	L535-T539 HydrophobicContact CD1-CG2 3.77Å; L535-T539 HydrophobicContact CG-CG2 4.29Å; L535-T539 WeakPolarHBondContact O-CB 3.37Å; L535-T539 VanDerWaalsContact O-CG2 3.29Å; L535-T539 WeakPolarHBondContact O-CG2 3.23Å; L535-T539 PolarHBondContact O-N 3.38Å; L535-T539 VanDerWaalsContact O-N 3.08Å; L535-T539 PolarHBondContact O-OG1 2.94Å; R536-T539 PolarHBondContact O-N 3.25Å
540	T	77.6	Confident	88.6	Confident	32 Å²	32	52.2 Å²	52.2	20%	0.196	28%	0.284	C	S	.	.			trans	-115.6	134.6	-169.2	-42.7	0	0	0	0	112.8	R536 H542	R536-T540 PolarHBondContact NH1-OG1 2.92Å; R536-T540 WeakPolarHBondContact O-CB 3.38Å; R536-T540 PolarHBondContact O-N 3.14Å; R536-T540 PolarHBondContact O-OG1 3.45Å; T540-H542 HydrophobicContact CG2-CB 4.06Å; T540-H542 WeakPolarHBondContact CG2-CD2 3.47Å; T540-H542 PolarHBondContact O-N 3.07Å
541	D	70.9	Confident	88.5	Confident	170 Å²	170	51.5 Å²	51.5	91%	0.909	28%	0.28	S	S	*	.			trans	-68.4	16.4	173	-48.6	-57.6	0	0	0	114.3
542	H	65	Low	88.6	Confident	79 Å²	79	47.8 Å²	47.8	37%	0.366	26%	0.264	S	S	.	.			trans	-82.8	120.5	174.2	-68	-26	0	0	0	108.8	T540 L544 D548	T540-H542 HydrophobicContact CG2-CB 4.06Å; T540-H542 WeakPolarHBondContact CG2-CD2 3.47Å; T540-H542 PolarHBondContact O-N 3.07Å; H542-L544 PolarHBondContact O-N 2.99Å; H542-L544 VanDerWaalsContact O-N 3.09Å; H542-D548 IonicContact CD2-OD2 2.77Å
543	G	78.2	Confident	88.7	Confident	66 Å²	66	48.8 Å²	48.8	68%	0.68	27%	0.269	S	S	*	.	S	Bend	trans	-68.5	-7.8	-173.7	0	0	0	0	0	115.5
544	L	89.5	Confident	88.7	Confident	5 Å²	5	48.8 Å²	48.8	3%	0.026	27%	0.269	C	S	.	.			trans	-149	140.6	178.9	-70.8	174.6	0	0	0	111.6	H542 N546 E547 Q643 K646	H542-L544 PolarHBondContact O-N 2.99Å; H542-L544 VanDerWaalsContact O-N 3.09Å; L544-N546 HydrophobicContact CB-CB 4.49Å; L544-N546 PolarHBondContact O-N 2.77Å; L544-E547 HydrophobicContact CB-CG 4.26Å; L544-E547 PolarHBondContact O-N 2.92Å; L544-Q643 HydrophobicContact CD2-CB 3.83Å; L544-Q643 HydrophobicContact CD2-CG 3.65Å; L544-K646 HydrophobicContact CD1-CD 3.52Å; L544-K646 HydrophobicContact CD2-CD 4.43Å
545	P	93.1	Very high	88.8	Confident	9 Å²	9	47.2 Å²	47.2	6%	0.058	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-60.1	-29.2	171.9	-24.6	34.3	0	0	0	114.2	E547 D548 I551 L638 G641 L642 F662	P545-E547 PolarHBondContact O-N 2.99Å; P545-D548 PolarHBondContact O-N 3.31Å; P545-I551 HydrophobicContact CB-CD1 4.17Å; P545-I551 HydrophobicContact CB-CG2 4.4Å; P545-L638 HydrophobicContact CB-CD1 3.36Å; P545-L638 HydrophobicContact CG-CD1 3.84Å; P545-G641 WeakPolarHBondContact CD-O 3.45Å; P545-L642 HydrophobicContact CB-CD2 4.37Å; P545-L642 HydrophobicContact CG-CD2 4.37Å; P545-L642 HydrophobicContact CG-CG 4.39Å; P545-F662 HydrophobicContact CB-CE2 4.18Å; P545-F662 HydrophobicContact CB-CZ 4.4Å
546	N	92.6	Very high	89	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-59.7	-29	177.6	-57.9	92.8	0	0	0	113.7	L544 C552 L642 D647 Y650 L660	L544-N546 HydrophobicContact CB-CB 4.49Å; L544-N546 PolarHBondContact O-N 2.77Å; N546-C552 PolarHBondContact O-SG 2.86Å; N546-L642 VanDerWaalsContact OD1-CD2 3.3Å; N546-L642 WeakPolarHBondContact OD1-CD2 3.46Å; N546-D647 PolarHBondContact ND2-OD1 2.94Å; N546-Y650 HydrophobicContact CB-CD2 3.83Å; N546-Y650 HydrophobicContact CB-CE2 3.6Å; N546-L660 PolarHBondContact ND2-O 3.17Å
547	E	90.6	Very high	89.3	Confident	84 Å²	84	45.5 Å²	45.5	39%	0.393	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-96	-10	-173.1	-62.6	174.5	-175.2	0	0	111.8	L544 P545 K549 Y650	L544-E547 HydrophobicContact CB-CG 4.26Å; L544-E547 PolarHBondContact O-N 2.92Å; P545-E547 PolarHBondContact O-N 2.99Å; E547-K549 PolarHBondContact O-N 3.12Å; E547-Y650 PolarHBondContact OE1-OH 3.36Å; E547-Y650 VanDerWaalsContact OE1-OH 3.08Å
548	D	92.4	Very high	89.5	Confident	4 Å²	4	43.8 Å²	43.8	2%	0.021	24%	0.241	C	C	.	.			trans	-86.5	106.8	172.6	-169.9	-8.8	0	0	0	111.3	R536 H542 P545 Q550 I551 C552	R536-D548 IonicContact CZ-OD2 2.87Å; R536-D548 IonicContact NE-OD1 2.68Å; R536-D548 IonicContact NE-OD2 3.37Å; R536-D548 PolarHBondContact NE-OD2 2.88Å; R536-D548 VanDerWaalsContact NH2-CG 3.28Å; R536-D548 IonicContact NH2-OD1 3.68Å; R536-D548 PolarHBondContact NH2-OD1 2.84Å; R536-D548 IonicContact NH2-OD2 2.67Å; R536-D548 PolarHBondContact NH2-OD2 3.47Å; H542-D548 IonicContact CD2-OD2 2.77Å; P545-D548 PolarHBondContact O-N 3.31Å; D548-Q550 PolarHBondContact O-N 3.3Å; D548-Q550 WeakPolarHBondContact OD1-CB 3.41Å; D548-Q550 PolarHBondContact OD1-N 3.37Å; D548-I551 HydrophobicContact CB-CB 4.1Å; D548-I551 HydrophobicContact CB-CD1 3.82Å; D548-I551 HydrophobicContact CB-CG1 3.88Å; D548-I551 PolarHBondContact O-N 3.09Å; D548-I551 VanDerWaalsContact O-N 3.15Å; D548-C552 PolarHBondContact O-N 2.81Å; D548-C552 PolarHBondContact O-SG 3.09Å
549	K	90.9	Very high	89.8	Confident	129 Å²	129	39 Å²	39	56%	0.561	22%	0.215	S	C	*	.	H	α-helix	trans	-59.5	-27.3	177.4	-62.7	-173.8	177.9	-174.7	0	113.4	E547 E553	E547-K549 PolarHBondContact O-N 3.12Å; K549-E553 WeakPolarHBondContact O-CB 3.49Å; K549-E553 VanDerWaalsContact O-CD 3.32Å; K549-E553 WeakPolarHBondContact O-CG 3.46Å; K549-E553 PolarHBondContact O-N 2.69Å
550	Q	91.7	Very high	90.2	Very high	41 Å²	41	35 Å²	35	19%	0.192	19%	0.19	C	C	.	.	H	α-helix	trans	-72.9	-41.6	177.4	-60.2	-178.6	51.2	0	0	111.6	L479 D548 E553 A554	L479-Q550 HydrophobicContact CD2-CB 4.06Å; L479-Q550 HydrophobicContact CD2-CG 4.16Å; D548-Q550 PolarHBondContact O-N 3.3Å; D548-Q550 WeakPolarHBondContact OD1-CB 3.41Å; D548-Q550 PolarHBondContact OD1-N 3.37Å; Q550-E553 PolarHBondContact O-N 3.23Å; Q550-A554 WeakPolarHBondContact O-CB 3.42Å; Q550-A554 PolarHBondContact O-N 2.83Å
551	I	94.6	Very high	91.1	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.015	18%	0.18	C	C	.	.	H	α-helix	trans	-61.8	-47	172.8	-63.4	178.5	0	0	0	109.4	I533 R536 P545 D548 A554 A555 L638 F662	I533-I551 HydrophobicContact CG1-CG2 4.24Å; I533-I551 HydrophobicContact CG2-CG2 4.06Å; R536-I551 HydrophobicContact CB-CD1 3.77Å; R536-I551 HydrophobicContact CB-CG1 3.56Å; R536-I551 HydrophobicContact CG-CG1 4.29Å; P545-I551 HydrophobicContact CB-CD1 4.17Å; P545-I551 HydrophobicContact CB-CG2 4.4Å; D548-I551 HydrophobicContact CB-CB 4.1Å; D548-I551 HydrophobicContact CB-CD1 3.82Å; D548-I551 HydrophobicContact CB-CG1 3.88Å; D548-I551 PolarHBondContact O-N 3.09Å; D548-I551 VanDerWaalsContact O-N 3.15Å; I551-A554 PolarHBondContact O-N 3.45Å; I551-A555 VanDerWaalsContact O-CB 3.28Å; I551-A555 WeakPolarHBondContact O-CB 3.36Å; I551-A555 PolarHBondContact O-N 3.28Å; I551-L638 HydrophobicContact CG2-CD1 4.23Å; I551-F662 HydrophobicContact CG2-CE1 4.26Å; I551-F662 HydrophobicContact CG2-CZ 3.84Å
552	C	94.9	Very high	92.4	Very high	14 Å²	14	25.7 Å²	25.7	10%	0.095	14%	0.138	C	C	.	.	H	α-helix	trans	-63.1	-44.4	179.1	-61.2	0	0	0	0	112.6	N546 D548 A554 A555 L556 L660	N546-C552 PolarHBondContact O-SG 2.86Å; D548-C552 PolarHBondContact O-N 2.81Å; D548-C552 PolarHBondContact O-SG 3.09Å; C552-A554 PolarHBondContact O-N 2.67Å; C552-A555 PolarHBondContact O-N 3.14Å; C552-L556 WeakPolarHBondContact O-CB 3.41Å; C552-L556 VanDerWaalsContact O-CG 3.3Å; C552-L556 WeakPolarHBondContact O-CG 3.4Å; C552-L556 PolarHBondContact O-N 2.9Å; C552-L660 HydrophobicContact CB-CB 4.13Å; C552-L660 HydrophobicContact CB-CD2 3.87Å
553	E	95	Very high	93.9	Very high	22 Å²	22	22.5 Å²	22.5	10%	0.103	12%	0.123	C	C	.	.	H	α-helix	trans	-62.7	-40.2	176	-76.1	163.6	171.6	0	0	111.9	R483 T486 K549 Q550 V557	R483-E553 WeakPolarHBondContact CG-OE1 3.29Å; R483-E553 IonicContact CZ-OE1 3.6Å; R483-E553 IonicContact CZ-OE2 3.6Å; R483-E553 IonicContact NE-OE1 3.74Å; R483-E553 PolarHBondContact NE-OE1 3Å; R483-E553 IonicContact NE-OE2 2.79Å; R483-E553 PolarHBondContact NE-OE2 3.45Å; R483-E553 IonicContact NH2-OE1 3.07Å; R483-E553 PolarHBondContact NH2-OE1 3.02Å; R483-E553 IonicContact NH2-OE2 2.8Å; R483-E553 PolarHBondContact NH2-OE2 3.06Å; T486-E553 HydrophobicContact CG2-CB 4.37Å; T486-E553 HydrophobicContact CG2-CG 4.2Å; K549-E553 WeakPolarHBondContact O-CB 3.49Å; K549-E553 VanDerWaalsContact O-CD 3.32Å; K549-E553 WeakPolarHBondContact O-CG 3.46Å; K549-E553 PolarHBondContact O-N 2.69Å; Q550-E553 PolarHBondContact O-N 3.23Å; E553-V557 WeakPolarHBondContact O-CG2 3.28Å; E553-V557 PolarHBondContact O-N 2.89Å
554	A	95.6	Very high	94.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-69.2	-40.9	175.3	0	0	0	0	0	112.8	L529 I533 Q550 I551 C552 V557 L558	L529-A554 HydrophobicContact CD2-CB 4.09Å; I533-A554 HydrophobicContact CD1-CB 4.21Å; I533-A554 HydrophobicContact CG1-CB 3.96Å; Q550-A554 WeakPolarHBondContact O-CB 3.42Å; Q550-A554 PolarHBondContact O-N 2.83Å; I551-A554 PolarHBondContact O-N 3.45Å; C552-A554 PolarHBondContact O-N 2.67Å; A554-V557 PolarHBondContact O-N 3.5Å; A554-L558 WeakPolarHBondContact O-CB 3.39Å; A554-L558 PolarHBondContact O-N 3.27Å
555	A	96.9	Very high	95.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-64.5	-39.4	178	0	0	0	0	0	112.5	I533 I551 C552 L558 R559 L660 F662 L665 L668	I533-A555 HydrophobicContact CD1-CB 4.32Å; I551-A555 VanDerWaalsContact O-CB 3.28Å; I551-A555 WeakPolarHBondContact O-CB 3.36Å; I551-A555 PolarHBondContact O-N 3.28Å; C552-A555 PolarHBondContact O-N 3.14Å; A555-L558 PolarHBondContact O-N 2.98Å; A555-R559 PolarHBondContact O-N 2.95Å; A555-L660 HydrophobicContact CB-CD2 4.28Å; A555-F662 HydrophobicContact CB-CE1 3.88Å; A555-L665 HydrophobicContact CB-CD1 3.76Å; A555-L668 HydrophobicContact CB-CD1 3.68Å
556	L	95.9	Very high	95.3	Very high	54 Å²	54	18.8 Å²	18.8	28%	0.283	9%	0.087	S	C	.	.	H	α-helix	trans	-67.8	-33.8	175.4	-71.7	170.4	0	0	0	112.9	T486 C552 R559 L660	T486-L556 HydrophobicContact CG2-CB 3.88Å; T486-L556 HydrophobicContact CG2-CD1 3.88Å; C552-L556 WeakPolarHBondContact O-CB 3.41Å; C552-L556 VanDerWaalsContact O-CG 3.3Å; C552-L556 WeakPolarHBondContact O-CG 3.4Å; C552-L556 PolarHBondContact O-N 2.9Å; L556-R559 WeakPolarHBondContact O-CB 3.43Å; L556-L660 HydrophobicContact CD2-CD1 4.32Å; L556-L660 HydrophobicContact CG-CD2 4.41Å
557	V	96.6	Very high	95.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-71.3	-38.8	170.2	176.2	0	0	0	0	111	Y463 N482 V485 W500 L529 E553 A554 R559 I560 V561	Y463-V557 HydrophobicContact CE1-CG1 4.38Å; N482-V557 HydrophobicContact CB-CG2 3.84Å; V485-V557 HydrophobicContact CB-CG2 3.99Å; V485-V557 HydrophobicContact CG1-CG2 4Å; W500-V557 HydrophobicContact CH2-CG1 4.16Å; L529-V557 HydrophobicContact CD1-CB 4.35Å; L529-V557 HydrophobicContact CD1-CG1 3.81Å; L529-V557 HydrophobicContact CD2-CG1 4.4Å; E553-V557 WeakPolarHBondContact O-CG2 3.28Å; E553-V557 PolarHBondContact O-N 2.89Å; A554-V557 PolarHBondContact O-N 3.5Å; V557-R559 PolarHBondContact O-N 3.47Å; V557-I560 WeakPolarHBondContact O-CB 3.3Å; V557-I560 PolarHBondContact O-N 3.08Å; V557-V561 PolarHBondContact O-N 3.05Å; V557-V561 VanDerWaalsContact O-N 3.13Å
558	L	97.2	Very high	95.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.6	-28	177.3	-167.2	68.7	0	0	0	112.2	Q526 L529 L530 A554 A555 V561 Y562 F633 F667 L668	Q526-L558 HydrophobicContact CG-CD1 4.16Å; L529-L558 HydrophobicContact CB-CD1 4.07Å; L529-L558 HydrophobicContact CD1-CB 4.31Å; L529-L558 HydrophobicContact CD1-CD1 4.03Å; L530-L558 HydrophobicContact CD2-CD2 3.66Å; L530-L558 HydrophobicContact CG-CD2 4.08Å; A554-L558 WeakPolarHBondContact O-CB 3.39Å; A554-L558 PolarHBondContact O-N 3.27Å; A555-L558 PolarHBondContact O-N 2.98Å; L558-V561 HydrophobicContact CD1-CB 4.28Å; L558-V561 HydrophobicContact CD1-CG1 4.35Å; L558-V561 CarbonylContact O-C 3.52Å; L558-V561 WeakPolarHBondContact O-CB 3.37Å; L558-V561 PolarHBondContact O-N 2.93Å; L558-Y562 WeakPolarHBondContact O-CB 3.37Å; L558-Y562 PolarHBondContact O-N 3.31Å; L558-F633 HydrophobicContact CD1-CD1 3.99Å; L558-F633 HydrophobicContact CD1-CE1 4.04Å; L558-F633 HydrophobicContact CD2-CD1 4.32Å; L558-F633 HydrophobicContact CG-CD1 4.01Å; L558-F633 HydrophobicContact CG-CE1 4.36Å; L558-F667 HydrophobicContact CB-CE2 4.39Å; L558-F667 HydrophobicContact CD2-CE2 4.13Å; L558-F667 HydrophobicContact CG-CE2 4.05Å; L558-L668 HydrophobicContact CD2-CD2 3.72Å; L558-L668 HydrophobicContact CD2-CG 4.23Å
559	R	97.2	Very high	95.6	Very high	22 Å²	22	18.6 Å²	18.6	8%	0.083	10%	0.095	C	C	.	.	H	α-helix	trans	-56.1	-48	167.4	-172.5	-176.4	66.9	158.1	0.5	111.8	N490 A555 L556 V557 V561 Y562 Y563 D610 F612 L665 F667	N490-R559 PolarHBondContact OD1-NH2 3.04Å; A555-R559 PolarHBondContact O-N 2.95Å; L556-R559 WeakPolarHBondContact O-CB 3.43Å; V557-R559 PolarHBondContact O-N 3.47Å; R559-V561 VanDerWaalsContact C-N 3.3Å; R559-V561 PolarHBondContact O-N 3.2Å; R559-Y562 WeakPolarHBondContact O-CB 3.44Å; R559-Y562 PolarHBondContact O-N 3.1Å; R559-Y562 VanDerWaalsContact O-N 3.16Å; R559-Y563 HydrophobicContact CG-CD2 4.02Å; R559-Y563 HydrophobicContact CG-CE2 3.78Å; R559-Y563 VanDerWaalsContact O-CD2 3.3Å; R559-Y563 WeakPolarHBondContact O-CD2 3.48Å; R559-Y563 PolarHBondContact O-N 3.19Å; R559-Y563 VanDerWaalsContact O-N 3.08Å; R559-D610 WeakPolarHBondContact CD-OD2 3.48Å; R559-D610 IonicContact CZ-OD1 2.69Å; R559-D610 IonicContact NH1-OD1 2.9Å; R559-D610 PolarHBondContact NH1-OD1 2.61Å; R559-F612 HydrophobicContact CG-CD1 4.14Å; R559-F612 HydrophobicContact CG-CE1 4.49Å; R559-L665 HydrophobicContact CB-CD2 4.07Å; R559-L665 HydrophobicContact CG-CD2 4.1Å; R559-F667 VanDerWaalsContact CA-CZ 3.44Å; R559-F667 HydrophobicContact CB-CE1 4.07Å; R559-F667 HydrophobicContact CB-CZ 3.86Å; R559-F667 HydrophobicContact CG-CE1 4.1Å; R559-F667 HydrophobicContact CG-CZ 4.4Å
560	I	97.4	Very high	95.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.5	-38.3	179.4	-53.2	171.6	0	0	0	110.1	V485 Q493 C497 W500 V557 A564 F612	V485-I560 HydrophobicContact CG1-CD1 3.45Å; V485-I560 VanDerWaalsContact CG1-CD1 3.45Å; Q493-I560 HydrophobicContact CB-CD1 3.91Å; Q493-I560 HydrophobicContact CB-CG1 4.38Å; Q493-I560 HydrophobicContact CG-CD1 3.94Å; C497-I560 HydrophobicContact CB-CG2 3.87Å; C497-I560 PolarHBondContact SG-O 3.09Å; C497-I560 VanDerWaalsContact SG-O 3.4Å; W500-I560 HydrophobicContact CE3-CB 4.42Å; W500-I560 HydrophobicContact CE3-CG2 3.7Å; W500-I560 HydrophobicContact CH2-CG2 4.23Å; W500-I560 HydrophobicContact CZ3-CB 3.77Å; W500-I560 HydrophobicContact CZ3-CG2 3.43Å; W500-I560 VanDerWaalsContact CZ3-CG2 3.43Å; V557-I560 WeakPolarHBondContact O-CB 3.3Å; V557-I560 PolarHBondContact O-N 3.08Å; I560-A564 VanDerWaalsContact O-CB 3.25Å; I560-A564 WeakPolarHBondContact O-CB 3.41Å; I560-A564 PolarHBondContact O-N 3.37Å; I560-F612 HydrophobicContact CB-CZ 4.19Å; I560-F612 HydrophobicContact CG1-CE1 4.45Å; I560-F612 HydrophobicContact CG1-CE2 4.31Å; I560-F612 HydrophobicContact CG1-CZ 3.9Å; I560-F612 HydrophobicContact CG2-CZ 4.1Å
561	V	97.2	Very high	95.8	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-65.2	-38.5	173.5	177.4	0	0	0	0	112	W500 L522 L525 Q526 L529 V557 L558 R559 A564 S565 F633	W500-V561 HydrophobicContact CE3-CG2 4.14Å; W500-V561 HydrophobicContact CH2-CG2 4.33Å; W500-V561 HydrophobicContact CZ3-CG2 3.59Å; L522-V561 HydrophobicContact CD1-CB 4.36Å; L522-V561 HydrophobicContact CD1-CG1 3.82Å; L522-V561 HydrophobicContact CD1-CG2 4.4Å; L522-V561 HydrophobicContact CG-CG1 4.25Å; L525-V561 HydrophobicContact CD2-CG2 3.79Å; L525-V561 HydrophobicContact CG-CG2 3.97Å; Q526-V561 HydrophobicContact CB-CG1 3.82Å; Q526-V561 HydrophobicContact CG-CG1 4.16Å; L529-V561 HydrophobicContact CD1-CG2 4.02Å; V557-V561 PolarHBondContact O-N 3.05Å; V557-V561 VanDerWaalsContact O-N 3.13Å; L558-V561 HydrophobicContact CD1-CB 4.28Å; L558-V561 HydrophobicContact CD1-CG1 4.35Å; L558-V561 CarbonylContact O-C 3.52Å; L558-V561 WeakPolarHBondContact O-CB 3.37Å; L558-V561 PolarHBondContact O-N 2.93Å; R559-V561 VanDerWaalsContact C-N 3.3Å; R559-V561 PolarHBondContact O-N 3.2Å; V561-A564 PolarHBondContact O-N 3.07Å; V561-S565 PolarHBondContact O-N 3.26Å; V561-F633 HydrophobicContact CG1-CE1 4.03Å; V561-F633 HydrophobicContact CG1-CZ 4.36Å
562	Y	97.6	Very high	95.8	Very high	8 Å²	8	17.4 Å²	17.4	3%	0.031	9%	0.093	C	C	.	.	H	α-helix	trans	-63.9	-53.9	178.8	176.3	-108.2	0	0	0	111.7	L558 R559 A564 S565 L566 P620 V630 F633 F667	L558-Y562 WeakPolarHBondContact O-CB 3.37Å; L558-Y562 PolarHBondContact O-N 3.31Å; R559-Y562 WeakPolarHBondContact O-CB 3.44Å; R559-Y562 PolarHBondContact O-N 3.1Å; R559-Y562 VanDerWaalsContact O-N 3.16Å; Y562-A564 VanDerWaalsContact C-N 3.28Å; Y562-A564 PolarHBondContact O-N 2.97Å; Y562-S565 WeakPolarHBondContact O-CA 3.22Å; Y562-S565 VanDerWaalsContact O-CB 3.23Å; Y562-S565 WeakPolarHBondContact O-CB 3.47Å; Y562-S565 PolarHBondContact O-N 3.34Å; Y562-L566 HydrophobicContact CD1-CD1 4.35Å; Y562-L566 HydrophobicContact CE1-CD1 3.85Å; Y562-L566 HydrophobicContact CE1-CG 4.35Å; Y562-L566 HydrophobicContact CE2-CD2 4.31Å; Y562-L566 PolarHBondContact O-N 3.01Å; Y562-P620 HydrophobicContact CE1-CB 4.5Å; Y562-P620 HydrophobicContact CE1-CG 4.3Å; Y562-V630 HydrophobicContact CE2-CG1 4.05Å; Y562-V630 HydrophobicContact CE2-CG2 4.41Å; Y562-F633 HydrophobicContact CD2-CD1 4.14Å; Y562-F633 AromaticContact CD2-CD2 3.96Å; Y562-F633 HydrophobicContact CD2-CD2 3.96Å; Y562-F633 HydrophobicContact CD2-CE1 4.16Å; Y562-F633 AromaticContact CD2-CE2 3.96Å; Y562-F633 HydrophobicContact CD2-CE2 3.96Å; Y562-F633 HydrophobicContact CD2-CG 4.04Å; Y562-F633 HydrophobicContact CD2-CZ 4.07Å; Y562-F633 HydrophobicContact CE2-CD2 4.49Å; Y562-F667 HydrophobicContact CD1-CB 4.07Å; Y562-F667 AromaticContact CD1-CD1 3.68Å; Y562-F667 HydrophobicContact CD1-CD1 3.68Å; Y562-F667 HydrophobicContact CD1-CE1 4.33Å; Y562-F667 AromaticContact CD1-CG 3.82Å; Y562-F667 HydrophobicContact CD1-CG 3.82Å; Y562-F667 HydrophobicContact CD2-CB 3.78Å; Y562-F667 HydrophobicContact CD2-CD2 4.18Å; Y562-F667 AromaticContact CD2-CG 3.94Å; Y562-F667 HydrophobicContact CD2-CG 3.94Å; Y562-F667 HydrophobicContact CE1-CB 3.93Å; Y562-F667 HydrophobicContact CE1-CD1 4.09Å; Y562-F667 HydrophobicContact CE1-CG 4.17Å; Y562-F667 HydrophobicContact CE2-CB 3.65Å; Y562-F667 HydrophobicContact CE2-CG 4.29Å; Y562-F667 HydrophobicContact CG-CB 3.99Å; Y562-F667 AromaticContact CG-CD1 3.97Å; Y562-F667 HydrophobicContact CG-CD1 3.97Å; Y562-F667 AromaticContact CG-CD2 4Å; Y562-F667 HydrophobicContact CG-CD2 4Å; Y562-F667 AromaticContact CG-CG 3.69Å; Y562-F667 HydrophobicContact CG-CG 3.69Å
563	Y	97.5	Very high	95.8	Very high	12 Å²	12	18.8 Å²	18.8	5%	0.047	10%	0.103	C	C	.	.	H	α-helix	trans	-68	-26.9	176.8	-68.6	-87.6	0	0	0	113.1	R559 S565 L566 L567 D610 F612 A613 L616 P620	R559-Y563 HydrophobicContact CG-CD2 4.02Å; R559-Y563 HydrophobicContact CG-CE2 3.78Å; R559-Y563 VanDerWaalsContact O-CD2 3.3Å; R559-Y563 WeakPolarHBondContact O-CD2 3.48Å; R559-Y563 PolarHBondContact O-N 3.19Å; R559-Y563 VanDerWaalsContact O-N 3.08Å; Y563-S565 VanDerWaalsContact C-N 3.29Å; Y563-S565 PolarHBondContact O-N 2.81Å; Y563-L566 HydrophobicContact CD1-CD1 3.68Å; Y563-L566 HydrophobicContact CE1-CD1 4.09Å; Y563-L566 HydrophobicContact CG-CD1 4.36Å; Y563-L566 PolarHBondContact O-N 3Å; Y563-L567 WeakPolarHBondContact O-CB 3.33Å; Y563-L567 PolarHBondContact O-N 3.21Å; Y563-D610 VanDerWaalsContact CE2-OD2 3.26Å; Y563-D610 WeakPolarHBondContact CE2-OD2 3.31Å; Y563-D610 PolarHBondContact OH-OD2 3.4Å; Y563-F612 AromaticContact CD2-CD1 3.5Å; Y563-F612 HydrophobicContact CD2-CD1 3.5Å; Y563-F612 AromaticContact CD2-CE1 3.5Å; Y563-F612 HydrophobicContact CD2-CE1 3.5Å; Y563-F612 VanDerWaalsContact CD2-CE1 3.5Å; Y563-F612 AromaticContact CE2-CD1 3.81Å; Y563-F612 HydrophobicContact CE2-CD1 3.81Å; Y563-F612 HydrophobicContact CE2-CE1 4.28Å; Y563-F612 HydrophobicContact CG-CD1 4.15Å; Y563-F612 AromaticContact CG-CE1 3.94Å; Y563-F612 HydrophobicContact CG-CE1 3.94Å; Y563-A613 HydrophobicContact CE1-CB 3.84Å; Y563-A613 WeakPolarHBondContact OH-CB 3.28Å; Y563-L616 VanDerWaalsContact CB-CD1 3.45Å; Y563-L616 HydrophobicContact CD1-CD1 3.76Å; Y563-L616 HydrophobicContact CD2-CD1 4.39Å; Y563-L616 HydrophobicContact CG-CD1 3.62Å; Y563-P620 HydrophobicContact CE1-CG 4.25Å
564	A	97	Very high	95.7	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66.5	-31.9	169.9	0	0	0	0	0	112.2	C497 W500 L522 I560 V561 Y562 A568	C497-A564 PolarHBondContact SG-N 2.64Å; W500-A564 HydrophobicContact CB-CB 3.94Å; L522-A564 HydrophobicContact CD1-CB 4.11Å; L522-A564 HydrophobicContact CD2-CB 4.11Å; I560-A564 VanDerWaalsContact O-CB 3.25Å; I560-A564 WeakPolarHBondContact O-CB 3.41Å; I560-A564 PolarHBondContact O-N 3.37Å; V561-A564 PolarHBondContact O-N 3.07Å; Y562-A564 VanDerWaalsContact C-N 3.28Å; Y562-A564 PolarHBondContact O-N 2.97Å; A564-A568 WeakPolarHBondContact O-CB 3.49Å; A564-A568 PolarHBondContact O-N 3.08Å; A564-A568 VanDerWaalsContact O-N 3.12Å
565	S	96.6	Very high	95.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-70.2	-37.3	171.6	177.8	0	0	0	0	112.6	V561 Y562 Y563 G569 F627 I628	V561-S565 PolarHBondContact O-N 3.26Å; Y562-S565 WeakPolarHBondContact O-CA 3.22Å; Y562-S565 VanDerWaalsContact O-CB 3.23Å; Y562-S565 WeakPolarHBondContact O-CB 3.47Å; Y562-S565 PolarHBondContact O-N 3.34Å; Y563-S565 VanDerWaalsContact C-N 3.29Å; Y563-S565 PolarHBondContact O-N 2.81Å; S565-G569 PolarHBondContact O-N 2.74Å; S565-F627 WeakPolarHBondContact O-CB 3.45Å; S565-F627 PolarHBondContact O-N 3.43Å; S565-F627 PolarHBondContact OG-N 2.93Å; S565-I628 WeakPolarHBondContact OG-CA 3.19Å; S565-I628 WeakPolarHBondContact OG-CB 3.5Å; S565-I628 PolarHBondContact OG-N 3.09Å; S565-I628 PolarHBondContact OG-O 3.4Å; S565-I628 VanDerWaalsContact OG-O 3.12Å
566	L	96.4	Very high	95.6	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-63.6	-51.8	172.4	-57.9	180	0	0	0	110.8	Y562 Y563 A568 G569 P620 C623 P626	Y562-L566 HydrophobicContact CD1-CD1 4.35Å; Y562-L566 HydrophobicContact CE1-CD1 3.85Å; Y562-L566 HydrophobicContact CE1-CG 4.35Å; Y562-L566 HydrophobicContact CE2-CD2 4.31Å; Y562-L566 PolarHBondContact O-N 3.01Å; Y563-L566 HydrophobicContact CD1-CD1 3.68Å; Y563-L566 HydrophobicContact CE1-CD1 4.09Å; Y563-L566 HydrophobicContact CG-CD1 4.36Å; Y563-L566 PolarHBondContact O-N 3Å; L566-A568 VanDerWaalsContact C-N 3.26Å; L566-A568 PolarHBondContact O-N 3.27Å; L566-G569 PolarHBondContact O-N 2.96Å; L566-P620 HydrophobicContact CD1-CB 4.33Å; L566-P620 HydrophobicContact CD1-CG 4.5Å; L566-C623 HydrophobicContact CB-CB 4.22Å; L566-C623 HydrophobicContact CD2-CB 3.86Å; L566-C623 PolarHBondContact O-SG 3.15Å; L566-C623 VanDerWaalsContact O-SG 3.35Å; L566-P626 HydrophobicContact CD2-CB 3.99Å; L566-P626 HydrophobicContact CD2-CG 3.61Å
567	L	95.4	Very high	95.6	Very high	53 Å²	53	25.2 Å²	25.2	28%	0.277	14%	0.138	S	C	.	.	H	α-helix	trans	-59	-31	179.1	-88.2	169.7	0	0	0	114.4	R498 A501 Y563 L616 I618	R498-L567 HydrophobicContact CG-CD1 4.03Å; A501-L567 HydrophobicContact CB-CB 3.51Å; A501-L567 HydrophobicContact CB-CD1 4.24Å; Y563-L567 WeakPolarHBondContact O-CB 3.33Å; Y563-L567 PolarHBondContact O-N 3.21Å; L567-L616 HydrophobicContact CD1-CD2 4.08Å; L567-I618 HydrophobicContact CD2-CD1 3.39Å; L567-I618 HydrophobicContact CG-CD1 3.78Å
568	A	93.9	Very high	95.6	Very high	10 Å²	10	31.1 Å²	31.1	8%	0.083	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-0.1	176.4	0	0	0	0	0	113.6	A501 V504 A564 L566 F627	A501-A568 HydrophobicContact CB-CB 4.3Å; V504-A568 HydrophobicContact CG2-CB 3.69Å; A564-A568 WeakPolarHBondContact O-CB 3.49Å; A564-A568 PolarHBondContact O-N 3.08Å; A564-A568 VanDerWaalsContact O-N 3.12Å; L566-A568 VanDerWaalsContact C-N 3.26Å; L566-A568 PolarHBondContact O-N 3.27Å; A568-F627 HydrophobicContact CB-CB 3.83Å; A568-F627 HydrophobicContact CB-CD2 4.19Å; A568-F627 HydrophobicContact CB-CG 3.99Å; A568-F627 WeakPolarHBondContact O-CD2 3.4Å
569	G	93	Very high	95.5	Very high	22 Å²	22	36.3 Å²	36.3	23%	0.227	19%	0.191	C	C	.	.	S	Bend	trans	-95.5	-169.9	177.8	0	0	0	0	0	113.2	S565 L566 M571 K625	S565-G569 PolarHBondContact O-N 2.74Å; L566-G569 PolarHBondContact O-N 2.96Å; G569-M571 PolarHBondContact O-N 3.03Å; G569-K625 CarbonylContact C-O 3Å; G569-K625 VanDerWaalsContact CA-O 3.23Å; G569-K625 WeakPolarHBondContact CA-O 3.33Å
570	Q	92.7	Very high	95.5	Very high	80 Å²	80	35.5 Å²	35.5	37%	0.374	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	96.6	172.1	-174.4	-175	-11.4	0	0	110	C623 R624 K625 E835	Q570-C623 CarbonylContact O-C 3.59Å; Q570-C623 PolarHBondContact O-SG 2.85Å; Q570-R624 HydrophobicContact CB-CB 4.48Å; Q570-R624 HydrophobicContact CG-CB 4.3Å; Q570-R624 PolarHBondContact O-N 3.08Å; Q570-K625 HydrophobicContact CB-CB 3.99Å; Q570-K625 PolarHBondContact N-O 3Å; Q570-K625 PolarHBondContact O-N 3.28Å; Q570-E835 PolarHBondContact NE2-OE1 2.69Å
571	M	93.9	Very high	95.3	Very high	55 Å²	55	38.3 Å²	38.3	27%	0.271	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	149.7	167.5	-63.2	-64.3	-61.4	0	0	111.3	G569 I618 D622 C623	G569-M571 PolarHBondContact O-N 3.03Å; M571-I618 HydrophobicContact CE-CD1 4.33Å; M571-I618 HydrophobicContact CE-CG1 4.37Å; M571-I618 HydrophobicContact CE-CG2 3.85Å; M571-D622 CarbonylContact C-O 3.59Å; M571-D622 WeakPolarHBondContact CA-O 3.33Å; M571-D622 HydrophobicContact CE-CB 3.56Å; M571-C623 HydrophobicContact SD-CB 3.76Å
572	D	94	Very high	95.3	Very high	12 Å²	12	41.6 Å²	41.6	6%	0.064	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-60	148	160.5	-71.7	-37.4	0	0	0	109.1	L576 L577 D622 R624 R825 K830	D572-L576 HydrophobicContact CB-CD2 4.01Å; D572-L577 HydrophobicContact CB-CD2 4Å; D572-L577 HydrophobicContact CB-CG 4.21Å; D572-D622 PolarHBondContact N-O 3.48Å; D572-R624 WeakPolarHBondContact OD1-CG 3.37Å; D572-R624 IonicContact OD1-CZ 3.89Å; D572-R624 IonicContact OD1-NE 3.86Å; D572-R624 PolarHBondContact OD1-NE 3.04Å; D572-R825 IonicContact OD1-NH2 3.82Å; D572-R825 PolarHBondContact OD1-NH2 3.07Å; D572-R825 IonicContact OD2-CZ 3.74Å; D572-R825 IonicContact OD2-NH2 3.61Å; D572-R825 PolarHBondContact OD2-NH2 3.12Å; D572-K830 IonicContact OD2-NZ 2.63Å; D572-K830 PolarHBondContact OD2-NZ 2.74Å
573	S	93.8	Very high	95.1	Very high	44 Å²	44	42.7 Å²	42.7	31%	0.308	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-75.8	156.8	-173.4	88.5	0	0	0	0	112.8	E575 L576 L577	S573-E575 VanDerWaalsContact CB-OE2 3.22Å; S573-E575 WeakPolarHBondContact CB-OE2 3.35Å; S573-E575 PolarHBondContact O-N 3.38Å; S573-E575 PolarHBondContact OG-OE2 3.5Å; S573-L576 PolarHBondContact O-N 3.33Å; S573-L576 VanDerWaalsContact O-N 3.09Å; S573-L576 PolarHBondContact OG-N 2.96Å; S573-L577 WeakPolarHBondContact O-CG 3.37Å; S573-L577 PolarHBondContact O-N 3.22Å
574	P	94.7	Very high	95	Very high	48 Å²	48	43.8 Å²	43.8	31%	0.312	24%	0.239	S	C	.	.	H	α-helix	trans	-55.6	-38.6	179	-25.6	35.4	0	0	0	113.5	I375 L577 E578	I375-P574 HydrophobicContact CD1-CB 4.12Å; P574-L577 PolarHBondContact O-N 2.99Å; P574-E578 WeakPolarHBondContact O-CB 3.31Å; P574-E578 PolarHBondContact O-N 3.49Å
575	E	95.1	Very high	94.8	Very high	80 Å²	80	50.4 Å²	50.4	37%	0.374	26%	0.263	S	S	.	.	H	α-helix	trans	-67.1	-40.8	177.9	-49.6	87.8	164.1	0	0	111.6	I328 S573 E578 M579	I328-E575 WeakPolarHBondContact CG1-OE1 3.46Å; S573-E575 VanDerWaalsContact CB-OE2 3.22Å; S573-E575 WeakPolarHBondContact CB-OE2 3.35Å; S573-E575 PolarHBondContact O-N 3.38Å; S573-E575 PolarHBondContact OG-OE2 3.5Å; E575-E578 PolarHBondContact O-N 2.85Å; E575-M579 VanDerWaalsContact O-CG 3.3Å; E575-M579 WeakPolarHBondContact O-CG 3.49Å; E575-M579 PolarHBondContact O-N 2.86Å
576	L	95.3	Very high	94.7	Very high	31 Å²	31	53.4 Å²	53.4	16%	0.162	28%	0.279	C	S	.	.	H	α-helix	trans	-66	-40.7	175.5	178.6	59.7	0	0	0	111.3	D572 S573 E578 M579 E580 L831 T833	D572-L576 HydrophobicContact CB-CD2 4.01Å; S573-L576 PolarHBondContact O-N 3.33Å; S573-L576 VanDerWaalsContact O-N 3.09Å; S573-L576 PolarHBondContact OG-N 2.96Å; L576-E578 VanDerWaalsContact C-N 3.34Å; L576-M579 PolarHBondContact O-N 2.86Å; L576-E580 HydrophobicContact CD1-CG 4.24Å; L576-E580 HydrophobicContact CG-CG 4.45Å; L576-E580 WeakPolarHBondContact O-CB 3.41Å; L576-E580 VanDerWaalsContact O-CG 3.24Å; L576-E580 WeakPolarHBondContact O-CG 3.03Å; L576-E580 PolarHBondContact O-N 3.17Å; L576-L831 HydrophobicContact CD1-CB 4.15Å; L576-L831 HydrophobicContact CD1-CD1 4.43Å; L576-T833 HydrophobicContact CD1-CG2 4.23Å; L576-T833 HydrophobicContact CD2-CG2 3.73Å
577	L	95.1	Very high	94.5	Very high	52 Å²	52	53.8 Å²	53.8	27%	0.272	28%	0.281	S	S	.	.	H	α-helix	trans	-65.7	-35.6	176.6	-66.5	172.2	0	0	0	112	D572 S573 P574 A581 D622 K830	D572-L577 HydrophobicContact CB-CD2 4Å; D572-L577 HydrophobicContact CB-CG 4.21Å; S573-L577 WeakPolarHBondContact O-CG 3.37Å; S573-L577 PolarHBondContact O-N 3.22Å; P574-L577 PolarHBondContact O-N 2.99Å; L577-A581 WeakPolarHBondContact O-CB 3.1Å; L577-A581 PolarHBondContact O-N 3.33Å; L577-D622 HydrophobicContact CD2-CB 4.05Å; L577-K830 VanDerWaalsContact CD2-NZ 3.26Å
578	E	96	Very high	94.2	Very high	123 Å²	123	55.8 Å²	55.8	58%	0.575	29%	0.289	S	S	*	.	H	α-helix	trans	-68	-43.1	173.1	-173.5	169.3	-157.5	0	0	111.7	P574 E575 L576 A581 E582	P574-E578 WeakPolarHBondContact O-CB 3.31Å; P574-E578 PolarHBondContact O-N 3.49Å; E575-E578 PolarHBondContact O-N 2.85Å; L576-E578 VanDerWaalsContact C-N 3.34Å; E578-A581 PolarHBondContact O-N 2.97Å; E578-E582 PolarHBondContact O-N 3.43Å
579	M	95.9	Very high	93.9	Very high	109 Å²	109	60 Å²	60	54%	0.537	31%	0.307	S	S	.	.	H	α-helix	trans	-62.9	-40.4	173.5	-70.7	173.4	63.6	0	0	112.7	E575 L576 E582 E583 L831	E575-M579 VanDerWaalsContact O-CG 3.3Å; E575-M579 WeakPolarHBondContact O-CG 3.49Å; E575-M579 PolarHBondContact O-N 2.86Å; L576-M579 PolarHBondContact O-N 2.86Å; M579-E582 PolarHBondContact O-N 3.3Å; M579-E583 WeakPolarHBondContact O-CB 3.48Å; M579-E583 PolarHBondContact O-N 3.07Å; M579-L831 HydrophobicContact CB-CD1 3.75Å; M579-L831 HydrophobicContact CE-CD1 4.35Å
580	E	96.1	Very high	93.6	Very high	5 Å²	5	62.4 Å²	62.4	2%	0.023	31%	0.312	C	S	.	.	H	α-helix	trans	-65.4	-42.9	175.1	-74.8	175.7	157.9	0	0	111.2	L576 E582 N584 R825 K830 L831	L576-E580 HydrophobicContact CD1-CG 4.24Å; L576-E580 HydrophobicContact CG-CG 4.45Å; L576-E580 WeakPolarHBondContact O-CB 3.41Å; L576-E580 VanDerWaalsContact O-CG 3.24Å; L576-E580 WeakPolarHBondContact O-CG 3.03Å; L576-E580 PolarHBondContact O-N 3.17Å; E580-E582 PolarHBondContact O-N 3.22Å; E580-N584 WeakPolarHBondContact O-CB 3.3Å; E580-N584 PolarHBondContact O-N 3.32Å; E580-N584 PolarHBondContact O-ND2 3.17Å; E580-R825 IonicContact OE1-CZ 2.68Å; E580-R825 IonicContact OE1-NH1 2.72Å; E580-R825 IonicContact OE1-NH2 3.69Å; E580-R825 PolarHBondContact OE1-NH2 3.4Å; E580-K830 HydrophobicContact CG-CD 4.37Å; E580-K830 WeakPolarHBondContact OE1-CA 3.31Å; E580-K830 WeakPolarHBondContact OE1-CB 3.47Å; E580-K830 VanDerWaalsContact OE1-CD 3.24Å; E580-K830 WeakPolarHBondContact OE1-CD 3.31Å; E580-K830 WeakPolarHBondContact OE2-CD 3.27Å; E580-K830 WeakPolarHBondContact OE2-CE 3.46Å; E580-K830 IonicContact OE2-NZ 2.88Å; E580-K830 PolarHBondContact OE2-NZ 2.67Å; E580-L831 HydrophobicContact CG-CB 3.86Å; E580-L831 HydrophobicContact CG-CD1 3.95Å; E580-L831 HydrophobicContact CG-CG 3.76Å; E580-L831 PolarHBondContact OE1-N 3.29Å
581	A	94.8	Very high	93.2	Very high	60 Å²	60	58.6 Å²	58.6	50%	0.496	29%	0.294	S	S	.	.	H	α-helix	trans	-61.5	-41.6	174.8	0	0	0	0	0	112.3	L577 E578 N584 R585	L577-A581 WeakPolarHBondContact O-CB 3.1Å; L577-A581 PolarHBondContact O-N 3.33Å; E578-A581 PolarHBondContact O-N 2.97Å; A581-N584 PolarHBondContact O-N 3.36Å; A581-R585 WeakPolarHBondContact O-CB 3.21Å; A581-R585 PolarHBondContact O-N 3.01Å
582	E	96.1	Very high	92.6	Very high	69 Å²	69	61.5 Å²	61.5	32%	0.322	30%	0.302	S	S	.	.	H	α-helix	trans	-68.8	-44.3	178.4	-177.9	60.4	-179	0	0	112.6	E578 M579 E580 N584 R585 L586	E578-E582 PolarHBondContact O-N 3.43Å; M579-E582 PolarHBondContact O-N 3.3Å; E580-E582 PolarHBondContact O-N 3.22Å; E582-N584 PolarHBondContact O-N 3.25Å; E582-R585 PolarHBondContact O-N 3.32Å; E582-R585 VanDerWaalsContact O-N 3.12Å; E582-R585 IonicContact OE1-CZ 2.75Å; E582-R585 IonicContact OE1-NE 2.97Å; E582-R585 IonicContact OE1-NH2 2.65Å; E582-R585 PolarHBondContact OE1-NH2 3.46Å; E582-R585 IonicContact OE2-CZ 3.61Å; E582-R585 IonicContact OE2-NE 3.6Å; E582-R585 PolarHBondContact OE2-NE 3.19Å; E582-R585 IonicContact OE2-NH2 2.8Å; E582-R585 PolarHBondContact OE2-NH2 3.39Å; E582-L586 HydrophobicContact CG-CD1 4Å; E582-L586 HydrophobicContact CG-CG 4.36Å; E582-L586 WeakPolarHBondContact O-CB 3.47Å; E582-L586 WeakPolarHBondContact O-CG 3.36Å; E582-L586 PolarHBondContact O-N 3.33Å
583	E	94.7	Very high	92	Very high	31 Å²	31	66.4 Å²	66.4	15%	0.145	33%	0.333	C	S	.	.	H	α-helix	trans	-60.8	-37.5	176.4	-175.1	71	166.3	0	0	111.5	M579 F587 L831 K914	M579-E583 WeakPolarHBondContact O-CB 3.48Å; M579-E583 PolarHBondContact O-N 3.07Å; E583-F587 VanDerWaalsContact O-CB 3.28Å; E583-F587 WeakPolarHBondContact O-CB 3.44Å; E583-F587 PolarHBondContact O-N 3.47Å; E583-L831 HydrophobicContact CB-CD2 4.39Å; E583-L831 HydrophobicContact CG-CD2 4.13Å; E583-K914 WeakPolarHBondContact OE1-CE 3.46Å; E583-K914 IonicContact OE1-NZ 3.47Å; E583-K914 PolarHBondContact OE1-NZ 3.49Å; E583-K914 IonicContact OE2-NZ 2.69Å; E583-K914 PolarHBondContact OE2-NZ 3.47Å
584	N	93.6	Very high	91	Very high	34 Å²	34	68.6 Å²	68.6	18%	0.182	34%	0.338	C	S	.	.	H	α-helix	trans	-66	-44.9	172.6	-71.3	-42.2	0	0	0	112.2	E580 A581 E582 L586 F587 E588 G829 R921	E580-N584 WeakPolarHBondContact O-CB 3.3Å; E580-N584 PolarHBondContact O-N 3.32Å; E580-N584 PolarHBondContact O-ND2 3.17Å; A581-N584 PolarHBondContact O-N 3.36Å; E582-N584 PolarHBondContact O-N 3.25Å; N584-L586 VanDerWaalsContact C-N 3.35Å; N584-L586 PolarHBondContact O-N 2.91Å; N584-F587 PolarHBondContact O-N 2.64Å; N584-E588 PolarHBondContact O-N 2.9Å; N584-G829 PolarHBondContact ND2-O 3.48Å; N584-G829 VanDerWaalsContact OD1-CA 3.29Å; N584-G829 WeakPolarHBondContact OD1-CA 3.28Å; N584-G829 PolarHBondContact OD1-O 2.81Å; N584-R921 VanDerWaalsContact OD1-CZ 3.25Å; N584-R921 PolarHBondContact OD1-NH1 3.14Å; N584-R921 PolarHBondContact OD1-NH2 2.86Å
585	R	94.1	Very high	89.7	Confident	139 Å²	139	67.3 Å²	67.3	53%	0.525	33%	0.328	S	S	.	.	H	α-helix	trans	-59.9	-43.6	177.4	-172.1	176.1	73	145.8	3.4	111.7	A581 E582 E588 Q589	A581-R585 WeakPolarHBondContact O-CB 3.21Å; A581-R585 PolarHBondContact O-N 3.01Å; E582-R585 PolarHBondContact O-N 3.32Å; E582-R585 VanDerWaalsContact O-N 3.12Å; E582-R585 IonicContact OE1-CZ 2.75Å; E582-R585 IonicContact OE1-NE 2.97Å; E582-R585 IonicContact OE1-NH2 2.65Å; E582-R585 PolarHBondContact OE1-NH2 3.46Å; E582-R585 IonicContact OE2-CZ 3.61Å; E582-R585 IonicContact OE2-NE 3.6Å; E582-R585 PolarHBondContact OE2-NE 3.19Å; E582-R585 IonicContact OE2-NH2 2.8Å; E582-R585 PolarHBondContact OE2-NH2 3.39Å; R585-E588 PolarHBondContact O-N 3.16Å; R585-Q589 VanDerWaalsContact O-CG 3.32Å; R585-Q589 WeakPolarHBondContact O-CG 3.28Å; R585-Q589 PolarHBondContact O-N 3.31Å
586	L	94.1	Very high	88.3	Confident	63 Å²	63	64.5 Å²	64.5	33%	0.33	32%	0.321	S	S	.	.	H	α-helix	trans	-67.2	-39.8	176.3	-67.3	171.8	0	0	0	111.9	E582 N584 Q589 Q590	E582-L586 HydrophobicContact CG-CD1 4Å; E582-L586 HydrophobicContact CG-CG 4.36Å; E582-L586 WeakPolarHBondContact O-CB 3.47Å; E582-L586 WeakPolarHBondContact O-CG 3.36Å; E582-L586 PolarHBondContact O-N 3.33Å; N584-L586 VanDerWaalsContact C-N 3.35Å; N584-L586 PolarHBondContact O-N 2.91Å; L586-Q589 PolarHBondContact O-N 2.77Å; L586-Q590 WeakPolarHBondContact O-CG 3.45Å; L586-Q590 PolarHBondContact O-N 2.78Å
587	F	92.5	Very high	86.3	Confident	10 Å²	10	68.2 Å²	68.2	4%	0.044	35%	0.347	C	S	.	.	H	α-helix	trans	-64.7	-41.7	174.2	176.6	-98.9	0	0	0	112.3	E583 N584 Q589 Q590 M591 N918 R921 R922	E583-F587 VanDerWaalsContact O-CB 3.28Å; E583-F587 WeakPolarHBondContact O-CB 3.44Å; E583-F587 PolarHBondContact O-N 3.47Å; N584-F587 PolarHBondContact O-N 2.64Å; F587-Q589 PolarHBondContact O-N 2.96Å; F587-Q590 WeakPolarHBondContact O-CB 3.2Å; F587-Q590 PolarHBondContact O-N 3.34Å; F587-M591 HydrophobicContact CD1-CG 4.13Å; F587-M591 HydrophobicContact CE1-CG 3.64Å; F587-M591 HydrophobicContact CE1-SD 4.11Å; F587-M591 HydrophobicContact CE2-CG 4.33Å; F587-M591 HydrophobicContact CE2-SD 4.42Å; F587-M591 HydrophobicContact CZ-CG 3.74Å; F587-M591 HydrophobicContact CZ-SD 3.72Å; F587-M591 WeakPolarHBondContact O-CG 3.46Å; F587-M591 PolarHBondContact O-N 3.46Å; F587-N918 HydrophobicContact CD2-CB 4.42Å; F587-R921 HydrophobicContact CE1-CG 3.91Å; F587-R921 HydrophobicContact CE2-CB 3.83Å; F587-R921 HydrophobicContact CE2-CG 3.92Å; F587-R921 HydrophobicContact CZ-CB 3.84Å; F587-R921 HydrophobicContact CZ-CG 3.53Å; F587-R922 HydrophobicContact CE2-CB 4.44Å; F587-R922 HydrophobicContact CZ-CB 4.49Å
588	E	88.1	Confident	84.5	Confident	95 Å²	95	69.3 Å²	69.3	44%	0.444	36%	0.356	S	S	.	.	H	α-helix	trans	-63.1	-38.9	174.2	-78.2	-175.4	-155	0	0	112.7	N584 R585 M591 R592	N584-E588 PolarHBondContact O-N 2.9Å; R585-E588 PolarHBondContact O-N 3.16Å; E588-M591 WeakPolarHBondContact O-CB 3.39Å; E588-M591 PolarHBondContact O-N 3.26Å; E588-R592 WeakPolarHBondContact O-CG 3.36Å; E588-R592 PolarHBondContact O-N 2.99Å; E588-R592 IonicContact OE2-NH2 2.73Å
589	Q	88.4	Confident	82.5	Confident	97 Å²	97	64.7 Å²	64.7	45%	0.453	33%	0.333	S	S	.	.	H	α-helix	trans	-62.2	-44.4	173	-71.5	171.3	15.2	0	0	110.9	R585 L586 F587 M591 R592 T593	R585-Q589 VanDerWaalsContact O-CG 3.32Å; R585-Q589 WeakPolarHBondContact O-CG 3.28Å; R585-Q589 PolarHBondContact O-N 3.31Å; L586-Q589 PolarHBondContact O-N 2.77Å; F587-Q589 PolarHBondContact O-N 2.96Å; Q589-M591 VanDerWaalsContact C-N 3.34Å; Q589-M591 PolarHBondContact O-N 3.24Å; Q589-R592 PolarHBondContact O-N 3.42Å; Q589-T593 PolarHBondContact O-N 2.83Å; Q589-T593 VanDerWaalsContact O-N 3.09Å
590	Q	87	Confident	80.4	Confident	73 Å²	73	63.5 Å²	63.5	34%	0.341	33%	0.327	S	S	.	.	H	α-helix	trans	-60.7	-40.3	173.6	-69.9	170.3	17.8	0	0	112	L586 F587 T593 H594 N918	L586-Q590 WeakPolarHBondContact O-CG 3.45Å; L586-Q590 PolarHBondContact O-N 2.78Å; F587-Q590 WeakPolarHBondContact O-CB 3.2Å; F587-Q590 PolarHBondContact O-N 3.34Å; Q590-T593 PolarHBondContact O-N 2.97Å; Q590-T593 PolarHBondContact O-OG1 2.82Å; Q590-H594 PolarHBondContact O-N 3.43Å; Q590-H594 VanDerWaalsContact O-N 3.08Å; Q590-H594 PolarHBondContact O-ND1 3.15Å; Q590-N918 PolarHBondContact OE1-ND2 3.25Å
591	M	84.6	Confident	78.1	Confident	1 Å²	1	73 Å²	73	1%	0.005	36%	0.362	C	S	.	.	H	α-helix	trans	-59.5	-47	174.8	-73.7	-74.8	-74.5	0	0	111.5	F587 E588 Q589 T593 H594 I595 Y599 R922 Q925	F587-M591 HydrophobicContact CD1-CG 4.13Å; F587-M591 HydrophobicContact CE1-CG 3.64Å; F587-M591 HydrophobicContact CE1-SD 4.11Å; F587-M591 HydrophobicContact CE2-CG 4.33Å; F587-M591 HydrophobicContact CE2-SD 4.42Å; F587-M591 HydrophobicContact CZ-CG 3.74Å; F587-M591 HydrophobicContact CZ-SD 3.72Å; F587-M591 WeakPolarHBondContact O-CG 3.46Å; F587-M591 PolarHBondContact O-N 3.46Å; E588-M591 WeakPolarHBondContact O-CB 3.39Å; E588-M591 PolarHBondContact O-N 3.26Å; Q589-M591 VanDerWaalsContact C-N 3.34Å; Q589-M591 PolarHBondContact O-N 3.24Å; M591-T593 VanDerWaalsContact C-N 3.34Å; M591-T593 PolarHBondContact O-N 3.3Å; M591-H594 PolarHBondContact O-N 3.06Å; M591-I595 HydrophobicContact CB-CD1 4.31Å; M591-I595 HydrophobicContact CE-CD1 3.43Å; M591-I595 VanDerWaalsContact CE-CD1 3.43Å; M591-I595 WeakPolarHBondContact O-CB 3.41Å; M591-I595 WeakPolarHBondContact O-CG1 3.41Å; M591-I595 PolarHBondContact O-N 3.31Å; M591-I595 HydrophobicContact SD-CD1 3.97Å; M591-Y599 HydrophobicContact CB-CE1 4.1Å; M591-Y599 HydrophobicContact CE-CE2 3.93Å; M591-R922 HydrophobicContact SD-CB 4.01Å; M591-R922 HydrophobicContact SD-CG 3.67Å; M591-Q925 HydrophobicContact CE-CB 3.72Å; M591-Q925 HydrophobicContact CE-CG 3.69Å
592	R	81.1	Confident	76.1	Confident	116 Å²	116	73.5 Å²	73.5	44%	0.438	35%	0.351	S	S	.	.	H	α-helix	trans	-61.5	-38.3	177.7	-67.3	176.7	-157.1	-141.9	13.2	112.5	E588 Q589 G596 Y599 E600	E588-R592 WeakPolarHBondContact O-CG 3.36Å; E588-R592 PolarHBondContact O-N 2.99Å; E588-R592 IonicContact OE2-NH2 2.73Å; Q589-R592 PolarHBondContact O-N 3.42Å; R592-G596 WeakPolarHBondContact O-CA 3.4Å; R592-G596 PolarHBondContact O-N 2.97Å; R592-Y599 HydrophobicContact CG-CD1 4.34Å; R592-E600 WeakPolarHBondContact CD-OE1 3.43Å; R592-E600 IonicContact CZ-OE1 2.85Å; R592-E600 IonicContact NE-OE1 3.75Å; R592-E600 IonicContact NH1-OE1 2.87Å; R592-E600 PolarHBondContact NH1-OE1 2.71Å
593	T	81.1	Confident	74	Confident	114 Å²	114	73.2 Å²	73.2	70%	0.699	36%	0.357	S	S	*	.	H	α-helix	trans	-73.1	-29.5	177.5	63.4	0	0	0	0	113.6	Q589 Q590 M591	Q589-T593 PolarHBondContact O-N 2.83Å; Q589-T593 VanDerWaalsContact O-N 3.09Å; Q590-T593 PolarHBondContact O-N 2.97Å; Q590-T593 PolarHBondContact O-OG1 2.82Å; M591-T593 VanDerWaalsContact C-N 3.34Å; M591-T593 PolarHBondContact O-N 3.3Å
594	H	72.2	Confident	71.5	Confident	90 Å²	90	81.3 Å²	81.3	42%	0.417	39%	0.386	S	S	.	.	H	α-helix	trans	-83.7	-35.8	-179.9	-74.6	76.4	0	0	0	113.3	Q590 M591 R922	Q590-H594 PolarHBondContact O-N 3.43Å; Q590-H594 VanDerWaalsContact O-N 3.08Å; Q590-H594 PolarHBondContact O-ND1 3.15Å; M591-H594 PolarHBondContact O-N 3.06Å; H594-R922 PolarHBondContact NE2-NH2 3.38Å
595	I	69	Low	69.8	Low	21 Å²	21	83.5 Å²	83.5	11%	0.108	40%	0.4	C	S	.	.	H	α-helix	trans	-98.3	-27.9	-174.5	-51.1	162.6	0	0	0	111.5	M591 T598 Y599 F729 M926	M591-I595 HydrophobicContact CB-CD1 4.31Å; M591-I595 HydrophobicContact CE-CD1 3.43Å; M591-I595 VanDerWaalsContact CE-CD1 3.43Å; M591-I595 WeakPolarHBondContact O-CB 3.41Å; M591-I595 WeakPolarHBondContact O-CG1 3.41Å; M591-I595 PolarHBondContact O-N 3.31Å; M591-I595 HydrophobicContact SD-CD1 3.97Å; I595-T598 PolarHBondContact O-OG1 3.18Å; I595-T598 VanDerWaalsContact O-OG1 3.05Å; I595-Y599 HydrophobicContact CB-CG 4.42Å; I595-Y599 HydrophobicContact CD1-CD2 3.68Å; I595-Y599 HydrophobicContact CD1-CE2 4.04Å; I595-Y599 HydrophobicContact CD1-CG 3.95Å; I595-Y599 HydrophobicContact CG2-CD2 4.45Å; I595-Y599 HydrophobicContact CG2-CG 4.41Å; I595-F729 HydrophobicContact CB-CE2 4.3Å; I595-F729 HydrophobicContact CB-CZ 4.14Å; I595-F729 HydrophobicContact CG1-CE2 3.83Å; I595-F729 HydrophobicContact CG1-CZ 3.73Å; I595-F729 HydrophobicContact CG2-CE2 3.85Å; I595-F729 HydrophobicContact CG2-CZ 4.09Å; I595-M926 HydrophobicContact CD1-CG 4.49Å
596	G	63.8	Low	68	Low	22 Å²	22	81.8 Å²	81.8	23%	0.227	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	74.3	-167.4	-177.1	0	0	0	0	0	113.7	R592 T598 Y599	R592-G596 WeakPolarHBondContact O-CA 3.4Å; R592-G596 PolarHBondContact O-N 2.97Å; G596-T598 PolarHBondContact O-N 3.28Å; G596-T598 VanDerWaalsContact O-N 3.08Å; G596-Y599 WeakPolarHBondContact O-CB 3.5Å; G596-Y599 PolarHBondContact O-N 3.05Å; G596-Y599 VanDerWaalsContact O-N 3.1Å
597	P	55	Low	66.7	Low	109 Å²	109	82.4 Å²	82.4	71%	0.708	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-70.2	-6.6	-169.3	28.4	-36.1	0	0	0	114.8	Y599 R601	P597-Y599 VanDerWaalsContact C-N 3.28Å; P597-R601 PolarHBondContact O-N 3.1Å
598	T	55.6	Low	65.6	Low	75 Å²	75	83.9 Å²	83.9	46%	0.46	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-65	-33	169.2	46.5	0	0	0	0	111.6	I595 G596 R601	I595-T598 PolarHBondContact O-OG1 3.18Å; I595-T598 VanDerWaalsContact O-OG1 3.05Å; G596-T598 PolarHBondContact O-N 3.28Å; G596-T598 VanDerWaalsContact O-N 3.08Å; T598-R601 PolarHBondContact O-N 3.43Å
599	Y	54.9	Low	65	Low	25 Å²	25	84.6 Å²	84.6	10%	0.098	43%	0.427	C	S	.	.	H	α-helix	trans	-62.9	-50.5	175.9	-169.6	-124.1	0	0	0	111.7	M591 R592 I595 G596 P597 R601 R602 S603	M591-Y599 HydrophobicContact CB-CE1 4.1Å; M591-Y599 HydrophobicContact CE-CE2 3.93Å; R592-Y599 HydrophobicContact CG-CD1 4.34Å; I595-Y599 HydrophobicContact CB-CG 4.42Å; I595-Y599 HydrophobicContact CD1-CD2 3.68Å; I595-Y599 HydrophobicContact CD1-CE2 4.04Å; I595-Y599 HydrophobicContact CD1-CG 3.95Å; I595-Y599 HydrophobicContact CG2-CD2 4.45Å; I595-Y599 HydrophobicContact CG2-CG 4.41Å; G596-Y599 WeakPolarHBondContact O-CB 3.5Å; G596-Y599 PolarHBondContact O-N 3.05Å; G596-Y599 VanDerWaalsContact O-N 3.1Å; P597-Y599 VanDerWaalsContact C-N 3.28Å; Y599-R601 PolarHBondContact O-N 2.63Å; Y599-R601 VanDerWaalsContact O-N 3.09Å; Y599-R602 PolarHBondContact O-N 3.02Å; Y599-S603 WeakPolarHBondContact O-CB 3.34Å; Y599-S603 PolarHBondContact O-N 2.96Å
600	E	51.1	Low	64.9	Low	85 Å²	85	80.6 Å²	80.6	40%	0.397	41%	0.409	S	S	.	.	H	α-helix	trans	-67.1	-10.5	-179.9	-61.1	-166	151.8	0	0	114.1	R592 R604	R592-E600 WeakPolarHBondContact CD-OE1 3.43Å; R592-E600 IonicContact CZ-OE1 2.85Å; R592-E600 IonicContact NE-OE1 3.75Å; R592-E600 IonicContact NH1-OE1 2.87Å; R592-E600 PolarHBondContact NH1-OE1 2.71Å; E600-R604 WeakPolarHBondContact O-CD 3.39Å; E600-R604 WeakPolarHBondContact O-CG 3.47Å; E600-R604 PolarHBondContact O-NE 2.68Å
601	R	49.1	Very low	64.9	Low	204 Å²	204	81 Å²	81	77%	0.77	42%	0.417	S	S	*	.	H	α-helix	trans	-84.3	-30.5	172	-169.8	174.4	-77.8	-155.9	-3.2	112.4	P597 T598 Y599	P597-R601 PolarHBondContact O-N 3.1Å; T598-R601 PolarHBondContact O-N 3.43Å; Y599-R601 PolarHBondContact O-N 2.63Å; Y599-R601 VanDerWaalsContact O-N 3.09Å
602	R	51.5	Low	65.2	Low	71 Å²	71	80.9 Å²	80.9	27%	0.268	42%	0.417	S	S	.	.	H	α-helix	trans	-94.1	-42.7	179.3	-75.7	-176.1	168.1	121.2	-2.4	113.3	Y599 R604 V605 N732 G734	Y599-R602 PolarHBondContact O-N 3.02Å; R602-R604 PolarHBondContact O-N 3Å; R602-V605 PolarHBondContact O-N 3.11Å; R602-N732 PolarHBondContact NH1-OD1 2.74Å; R602-N732 PolarHBondContact NH2-OD1 3.17Å; R602-G734 VanDerWaalsContact NH1-N 3.2Å
603	S	51.9	Low	65.7	Low	63 Å²	63	76 Å²	76	44%	0.441	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-7.9	176.8	173.2	0	0	0	0	115	Y599 V605	Y599-S603 WeakPolarHBondContact O-CB 3.34Å; Y599-S603 PolarHBondContact O-N 2.96Å; S603-V605 PolarHBondContact O-N 3.31Å
604	R	43.9	Very low	66.2	Low	201 Å²	201	76.9 Å²	76.9	76%	0.758	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-14.4	170.7	-70.2	171.9	-175.1	-141.7	-7.6	114.7	E600 R602 S606	E600-R604 WeakPolarHBondContact O-CD 3.39Å; E600-R604 WeakPolarHBondContact O-CG 3.47Å; E600-R604 PolarHBondContact O-NE 2.68Å; R602-R604 PolarHBondContact O-N 3Å; R604-S606 VanDerWaalsContact C-N 3.34Å; R604-S606 PolarHBondContact O-N 3.43Å
605	V	56.5	Low	67.1	Low	79 Å²	79	74.4 Å²	74.4	48%	0.479	39%	0.391	S	S	.	.	S	Bend	trans	-71.6	92.4	167.3	-175.5	0	0	0	0	108.3	R602 S603 L607 E930	R602-V605 PolarHBondContact O-N 3.11Å; S603-V605 PolarHBondContact O-N 3.31Å; V605-L607 PolarHBondContact O-N 2.95Å; V605-L607 VanDerWaalsContact O-N 3.15Å; V605-E930 HydrophobicContact CB-CG 4.35Å; V605-E930 HydrophobicContact CG2-CG 4.42Å
606	S	57.6	Low	68.2	Low	103 Å²	103	73.6 Å²	73.6	72%	0.72	39%	0.386	S	S	*	.			trans	-51.9	120.5	176.3	59.2	0	0	0	0	110.6	R604	R604-S606 VanDerWaalsContact C-N 3.34Å; R604-S606 PolarHBondContact O-N 3.43Å
607	L	64.9	Low	69.6	Low	77 Å²	77	79.4 Å²	79.4	40%	0.403	41%	0.412	S	S	.	.			trans	-54.4	143.5	178.8	-81.6	168.7	0	0	0	111	V605 E609 D929 S931	V605-L607 PolarHBondContact O-N 2.95Å; V605-L607 VanDerWaalsContact O-N 3.15Å; L607-E609 PolarHBondContact O-N 3.22Å; L607-E609 VanDerWaalsContact O-N 3.08Å; L607-D929 WeakPolarHBondContact CD2-O 3.32Å; L607-S931 WeakPolarHBondContact CD2-O 3.44Å
608	P	71.1	Confident	71.3	Confident	41 Å²	41	75.3 Å²	75.3	27%	0.266	38%	0.384	S	S	.	.			trans	-64.3	111.8	177.1	-19.6	32.3	0	0	0	110.8	Y651 P932 F935	P608-Y651 WeakPolarHBondContact CG-OH 3.39Å; P608-P932 HydrophobicContact CG-CB 4.31Å; P608-F935 HydrophobicContact CB-CD1 4.14Å; P608-F935 HydrophobicContact CB-CG 4.16Å; P608-F935 WeakPolarHBondContact O-CB 3.32Å; P608-F935 WeakPolarHBondContact O-CD2 3.19Å; P608-F935 VanDerWaalsContact O-CG 3.31Å; P608-F935 WeakPolarHBondContact O-CG 3.36Å
609	E	75.1	Confident	73	Confident	110 Å²	110	74 Å²	74	51%	0.514	38%	0.378	S	S	.	.			trans	-105.6	144.8	169	-65.9	179.3	-155.6	0	0	110.3	L607 P611 K614	L607-E609 PolarHBondContact O-N 3.22Å; L607-E609 VanDerWaalsContact O-N 3.08Å; E609-P611 WeakPolarHBondContact O-CD 3.48Å; E609-K614 IonicContact OE1-NZ 2.8Å; E609-K614 PolarHBondContact OE1-NZ 3.33Å; E609-K614 WeakPolarHBondContact OE2-CD 3.38Å; E609-K614 WeakPolarHBondContact OE2-CE 3.28Å; E609-K614 VanDerWaalsContact OE2-CG 3.27Å; E609-K614 WeakPolarHBondContact OE2-CG 3.41Å; E609-K614 IonicContact OE2-NZ 2.82Å; E609-K614 PolarHBondContact OE2-NZ 3.23Å
610	D	85.6	Confident	74.8	Confident	13 Å²	13	74.5 Å²	74.5	7%	0.07	39%	0.385	C	S	.	.			trans	-74	118	164.4	175.4	6.8	0	0	0	108.5	R559 Y563 F612 A613 K614 F935	R559-D610 WeakPolarHBondContact CD-OD2 3.48Å; R559-D610 IonicContact CZ-OD1 2.69Å; R559-D610 IonicContact NH1-OD1 2.9Å; R559-D610 PolarHBondContact NH1-OD1 2.61Å; Y563-D610 VanDerWaalsContact CE2-OD2 3.26Å; Y563-D610 WeakPolarHBondContact CE2-OD2 3.31Å; Y563-D610 PolarHBondContact OH-OD2 3.4Å; D610-F612 PolarHBondContact O-N 3.22Å; D610-F612 WeakPolarHBondContact OD1-CB 3.42Å; D610-F612 PolarHBondContact OD1-N 2.79Å; D610-F612 VanDerWaalsContact OD1-N 3.1Å; D610-A613 HydrophobicContact CB-CB 3.88Å; D610-A613 WeakPolarHBondContact O-CB 3.32Å; D610-A613 PolarHBondContact O-N 2.89Å; D610-K614 PolarHBondContact O-N 3.01Å; D610-F935 HydrophobicContact CB-CE2 4.18Å
611	P	86.3	Confident	76.7	Confident	80 Å²	80	71.5 Å²	71.5	52%	0.519	37%	0.371	S	S	.	.	H	α-helix	trans	-58.8	-20.4	-178	-25.5	35.6	0	0	0	113.9	E609 A615	E609-P611 WeakPolarHBondContact O-CD 3.48Å; P611-A615 VanDerWaalsContact O-CB 3.3Å; P611-A615 WeakPolarHBondContact O-CB 3.45Å; P611-A615 PolarHBondContact O-N 3.31Å; P611-A615 VanDerWaalsContact O-N 3.08Å
612	F	92	Very high	78.8	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-83	-34.9	176.2	-179.1	-104.4	0	0	0	112.9	Q493 V494 C497 R559 I560 Y563 D610 A615 L616	Q493-F612 HydrophobicContact CB-CD2 4.15Å; Q493-F612 HydrophobicContact CB-CE2 3.57Å; V494-F612 HydrophobicContact CG2-CD2 3.8Å; V494-F612 HydrophobicContact CG2-CE2 3.71Å; C497-F612 HydrophobicContact CB-CZ 3.85Å; R559-F612 HydrophobicContact CG-CD1 4.14Å; R559-F612 HydrophobicContact CG-CE1 4.49Å; I560-F612 HydrophobicContact CB-CZ 4.19Å; I560-F612 HydrophobicContact CG1-CE1 4.45Å; I560-F612 HydrophobicContact CG1-CE2 4.31Å; I560-F612 HydrophobicContact CG1-CZ 3.9Å; I560-F612 HydrophobicContact CG2-CZ 4.1Å; Y563-F612 AromaticContact CD2-CD1 3.5Å; Y563-F612 HydrophobicContact CD2-CD1 3.5Å; Y563-F612 AromaticContact CD2-CE1 3.5Å; Y563-F612 HydrophobicContact CD2-CE1 3.5Å; Y563-F612 VanDerWaalsContact CD2-CE1 3.5Å; Y563-F612 AromaticContact CE2-CD1 3.81Å; Y563-F612 HydrophobicContact CE2-CD1 3.81Å; Y563-F612 HydrophobicContact CE2-CE1 4.28Å; Y563-F612 HydrophobicContact CG-CD1 4.15Å; Y563-F612 AromaticContact CG-CE1 3.94Å; Y563-F612 HydrophobicContact CG-CE1 3.94Å; D610-F612 PolarHBondContact O-N 3.22Å; D610-F612 WeakPolarHBondContact OD1-CB 3.42Å; D610-F612 PolarHBondContact OD1-N 2.79Å; D610-F612 VanDerWaalsContact OD1-N 3.1Å; F612-A615 PolarHBondContact O-N 2.74Å; F612-L616 HydrophobicContact CD1-CD1 3.96Å; F612-L616 HydrophobicContact CE1-CD1 3.71Å; F612-L616 HydrophobicContact CZ-CD1 4.17Å; F612-L616 WeakPolarHBondContact O-CB 3.31Å; F612-L616 WeakPolarHBondContact O-CG 3.38Å; F612-L616 PolarHBondContact O-N 3.37Å
613	A	92.2	Very high	80.8	Confident	13 Å²	13	60.1 Å²	60.1	11%	0.107	33%	0.332	C	S	.	.	H	α-helix	trans	-60.9	-46.8	167.5	0	0	0	0	0	110.8	Y563 D610 A615 L616 N617 I618	Y563-A613 HydrophobicContact CE1-CB 3.84Å; Y563-A613 WeakPolarHBondContact OH-CB 3.28Å; D610-A613 HydrophobicContact CB-CB 3.88Å; D610-A613 WeakPolarHBondContact O-CB 3.32Å; D610-A613 PolarHBondContact O-N 2.89Å; A613-A615 VanDerWaalsContact C-N 3.35Å; A613-A615 PolarHBondContact O-N 2.72Å; A613-L616 WeakPolarHBondContact O-CB 3.16Å; A613-L616 PolarHBondContact O-N 3.45Å; A613-L616 VanDerWaalsContact O-N 3.12Å; A613-N617 PolarHBondContact O-N 3.3Å; A613-I618 WeakPolarHBondContact CB-O 3.33Å; A613-I618 PolarHBondContact O-N 3.23Å
614	K	91	Very high	82.6	Confident	133 Å²	133	59.5 Å²	59.5	58%	0.578	32%	0.32	S	S	*	.	H	α-helix	trans	-59.2	-43.5	175.3	-159.4	-173.8	-163.2	67	0	111.9	E609 D610 L616 N617	E609-K614 IonicContact OE1-NZ 2.8Å; E609-K614 PolarHBondContact OE1-NZ 3.33Å; E609-K614 WeakPolarHBondContact OE2-CD 3.38Å; E609-K614 WeakPolarHBondContact OE2-CE 3.28Å; E609-K614 VanDerWaalsContact OE2-CG 3.27Å; E609-K614 WeakPolarHBondContact OE2-CG 3.41Å; E609-K614 IonicContact OE2-NZ 2.82Å; E609-K614 PolarHBondContact OE2-NZ 3.23Å; D610-K614 PolarHBondContact O-N 3.01Å; K614-L616 VanDerWaalsContact C-N 3.32Å; K614-L616 PolarHBondContact O-N 3.44Å; K614-N617 PolarHBondContact O-N 2.9Å
615	A	91.6	Very high	84.9	Confident	38 Å²	38	54.9 Å²	54.9	31%	0.314	31%	0.305	S	S	.	.	H	α-helix	trans	-71.9	-20.6	176.9	0	0	0	0	0	114.2	V494 P611 F612 A613	V494-A615 HydrophobicContact CG2-CB 3.84Å; P611-A615 VanDerWaalsContact O-CB 3.3Å; P611-A615 WeakPolarHBondContact O-CB 3.45Å; P611-A615 PolarHBondContact O-N 3.31Å; P611-A615 VanDerWaalsContact O-N 3.08Å; F612-A615 PolarHBondContact O-N 2.74Å; A613-A615 VanDerWaalsContact C-N 3.35Å; A613-A615 PolarHBondContact O-N 2.72Å
616	L	92	Very high	86.6	Confident	3 Å²	3	52.3 Å²	52.3	2%	0.016	29%	0.29	C	S	.	.	H	α-helix	trans	-80.7	-25.3	168.9	-77.9	165.9	0	0	0	113	V494 C497 R498 Y563 L567 F612 A613 K614 I618	V494-L616 HydrophobicContact CB-CD2 4.45Å; V494-L616 HydrophobicContact CG1-CD2 3.89Å; V494-L616 HydrophobicContact CG1-CG 4.5Å; V494-L616 HydrophobicContact CG2-CD2 4.23Å; V494-L616 HydrophobicContact CG2-CG 4.06Å; C497-L616 HydrophobicContact CB-CD2 4.45Å; R498-L616 HydrophobicContact CG-CD2 4.46Å; R498-L616 PolarHBondContact NH2-O 3.28Å; Y563-L616 VanDerWaalsContact CB-CD1 3.45Å; Y563-L616 HydrophobicContact CD1-CD1 3.76Å; Y563-L616 HydrophobicContact CD2-CD1 4.39Å; Y563-L616 HydrophobicContact CG-CD1 3.62Å; L567-L616 HydrophobicContact CD1-CD2 4.08Å; F612-L616 HydrophobicContact CD1-CD1 3.96Å; F612-L616 HydrophobicContact CE1-CD1 3.71Å; F612-L616 HydrophobicContact CZ-CD1 4.17Å; F612-L616 WeakPolarHBondContact O-CB 3.31Å; F612-L616 WeakPolarHBondContact O-CG 3.38Å; F612-L616 PolarHBondContact O-N 3.37Å; A613-L616 WeakPolarHBondContact O-CB 3.16Å; A613-L616 PolarHBondContact O-N 3.45Å; A613-L616 VanDerWaalsContact O-N 3.12Å; K614-L616 VanDerWaalsContact C-N 3.32Å; K614-L616 PolarHBondContact O-N 3.44Å; L616-I618 HydrophobicContact CB-CB 4.23Å; L616-I618 HydrophobicContact CB-CD1 4.44Å; L616-I618 HydrophobicContact CB-CG1 4.34Å
617	N	91.7	Very high	88.4	Confident	145 Å²	145	49 Å²	49	78%	0.775	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	47.9	-163.5	-161.9	88	0	0	0	112.5	A613 K614	A613-N617 PolarHBondContact O-N 3.3Å; K614-N617 PolarHBondContact O-N 2.9Å
618	I	91.8	Very high	89.8	Confident	23 Å²	23	45.3 Å²	45.3	12%	0.118	24%	0.244	C	C	.	.			trans	-142.9	133	-177.5	-65.2	176	0	0	0	110.7	L567 M571 A613 L616	L567-I618 HydrophobicContact CD2-CD1 3.39Å; L567-I618 HydrophobicContact CG-CD1 3.78Å; M571-I618 HydrophobicContact CE-CD1 4.33Å; M571-I618 HydrophobicContact CE-CG1 4.37Å; M571-I618 HydrophobicContact CE-CG2 3.85Å; A613-I618 WeakPolarHBondContact CB-O 3.33Å; A613-I618 PolarHBondContact O-N 3.23Å; L616-I618 HydrophobicContact CB-CB 4.23Å; L616-I618 HydrophobicContact CB-CD1 4.44Å; L616-I618 HydrophobicContact CB-CG1 4.34Å
619	S	90.7	Very high	90.9	Very high	47 Å²	47	45.6 Å²	45.6	33%	0.329	25%	0.246	S	C	.	.			trans	-94.5	146.7	164.1	179.5	0	0	0	0	111.3	N621 D622	S619-N621 PolarHBondContact O-N 3.44Å; S619-N621 VanDerWaalsContact O-N 3.11Å; S619-N621 PolarHBondContact OG-N 2.9Å; S619-D622 WeakPolarHBondContact CB-OD2 3.41Å; S619-D622 PolarHBondContact N-OD2 3.36Å; S619-D622 VanDerWaalsContact O-CB 3.31Å; S619-D622 WeakPolarHBondContact O-CB 3.35Å; S619-D622 PolarHBondContact O-N 3.45Å
620	P	92.4	Very high	91.8	Very high	36 Å²	36	41.3 Å²	41.3	23%	0.234	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-53.7	-26.8	168.9	-28.3	37.3	0	0	0	114.8	Y562 Y563 L566 D622	Y562-P620 HydrophobicContact CE1-CB 4.5Å; Y562-P620 HydrophobicContact CE1-CG 4.3Å; Y563-P620 HydrophobicContact CE1-CG 4.25Å; L566-P620 HydrophobicContact CD1-CB 4.33Å; L566-P620 HydrophobicContact CD1-CG 4.5Å; P620-D622 PolarHBondContact O-N 3.13Å
621	N	91.6	Very high	92.2	Very high	21 Å²	21	48.1 Å²	48.1	11%	0.112	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-79.8	-3.9	179.4	-63.7	-24.3	0	0	0	113.4	S619 C623 V828 K830 P939	S619-N621 PolarHBondContact O-N 3.44Å; S619-N621 VanDerWaalsContact O-N 3.11Å; S619-N621 PolarHBondContact OG-N 2.9Å; N621-C623 VanDerWaalsContact C-N 3.32Å; N621-V828 HydrophobicContact CB-CG2 4.48Å; N621-K830 VanDerWaalsContact O-CE 3.25Å; N621-K830 WeakPolarHBondContact O-CE 3.32Å; N621-P939 WeakPolarHBondContact OD1-CD 3.36Å
622	D	93.4	Very high	92.6	Very high	22 Å²	22	47 Å²	47	12%	0.118	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-85.1	-3.4	174.8	-54	-22.5	0	0	0	112.7	M571 D572 L577 S619 P620 K830	M571-D622 CarbonylContact C-O 3.59Å; M571-D622 WeakPolarHBondContact CA-O 3.33Å; M571-D622 HydrophobicContact CE-CB 3.56Å; D572-D622 PolarHBondContact N-O 3.48Å; L577-D622 HydrophobicContact CD2-CB 4.05Å; S619-D622 WeakPolarHBondContact CB-OD2 3.41Å; S619-D622 PolarHBondContact N-OD2 3.36Å; S619-D622 VanDerWaalsContact O-CB 3.31Å; S619-D622 WeakPolarHBondContact O-CB 3.35Å; S619-D622 PolarHBondContact O-N 3.45Å; P620-D622 PolarHBondContact O-N 3.13Å; D622-K830 VanDerWaalsContact OD1-CE 3.26Å; D622-K830 WeakPolarHBondContact OD1-CE 3.4Å; D622-K830 IonicContact OD1-NZ 3.91Å; D622-K830 PolarHBondContact OD1-NZ 3.47Å
623	C	93.8	Very high	92.9	Very high	14 Å²	14	47 Å²	47	10%	0.095	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	113.1	-177.7	-164.3	0	0	0	0	110.9	L566 Q570 M571 N621 P626	L566-C623 HydrophobicContact CB-CB 4.22Å; L566-C623 HydrophobicContact CD2-CB 3.86Å; L566-C623 PolarHBondContact O-SG 3.15Å; L566-C623 VanDerWaalsContact O-SG 3.35Å; Q570-C623 CarbonylContact O-C 3.59Å; Q570-C623 PolarHBondContact O-SG 2.85Å; M571-C623 HydrophobicContact SD-CB 3.76Å; N621-C623 VanDerWaalsContact C-N 3.32Å; C623-P626 HydrophobicContact CB-CG 4.29Å
624	R	89.2	Confident	93.1	Very high	51 Å²	51	48.2 Å²	48.2	19%	0.192	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	-45.1	177.2	-65	-61.1	-165.1	141.6	0.9	112.5	Q570 D572 R825 T833 D836	Q570-R624 HydrophobicContact CB-CB 4.48Å; Q570-R624 HydrophobicContact CG-CB 4.3Å; Q570-R624 PolarHBondContact O-N 3.08Å; D572-R624 WeakPolarHBondContact OD1-CG 3.37Å; D572-R624 IonicContact OD1-CZ 3.89Å; D572-R624 IonicContact OD1-NE 3.86Å; D572-R624 PolarHBondContact OD1-NE 3.04Å; R624-R825 VanDerWaalsContact CZ-NE 3.35Å; R624-T833 PolarHBondContact NH2-OG1 3.34Å; R624-D836 IonicContact CZ-OD1 3.35Å; R624-D836 IonicContact CZ-OD2 3.44Å; R624-D836 VanDerWaalsContact NH1-CG 3.34Å; R624-D836 IonicContact NH1-OD1 3.51Å; R624-D836 PolarHBondContact NH1-OD1 2.91Å; R624-D836 IonicContact NH1-OD2 2.65Å; R624-D836 PolarHBondContact NH1-OD2 2.79Å; R624-D836 IonicContact NH2-OD1 3.28Å; R624-D836 IonicContact NH2-OD2 2.73Å; R624-D836 PolarHBondContact NH2-OD2 3.34Å
625	K	91.7	Very high	93.4	Very high	103 Å²	103	42.1 Å²	42.1	45%	0.448	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	86.9	-173.8	-54	-173.7	-167.9	67.8	0	110.3	G569 Q570 E835	G569-K625 CarbonylContact C-O 3Å; G569-K625 VanDerWaalsContact CA-O 3.23Å; G569-K625 WeakPolarHBondContact CA-O 3.33Å; Q570-K625 HydrophobicContact CB-CB 3.99Å; Q570-K625 PolarHBondContact N-O 3Å; Q570-K625 PolarHBondContact O-N 3.28Å; K625-E835 IonicContact NZ-OE1 3.18Å; K625-E835 PolarHBondContact NZ-OE1 3.45Å; K625-E835 IonicContact NZ-OE2 2.67Å; K625-E835 PolarHBondContact NZ-OE2 2.99Å
626	P	93.7	Very high	93.6	Very high	26 Å²	26	46.5 Å²	46.5	17%	0.169	24%	0.239	C	C	.	.			trans	-59.1	149.9	176.9	-27.9	38.2	0	0	0	113.3	L566 C623 I628 V630	L566-P626 HydrophobicContact CD2-CB 3.99Å; L566-P626 HydrophobicContact CD2-CG 3.61Å; C623-P626 HydrophobicContact CB-CG 4.29Å; P626-I628 VanDerWaalsContact C-N 3.31Å; P626-I628 PolarHBondContact O-N 3.04Å; P626-V630 HydrophobicContact CB-CG2 4.46Å; P626-V630 HydrophobicContact CG-CG2 3.79Å
627	F	93.8	Very high	93.7	Very high	32 Å²	32	48.1 Å²	48.1	14%	0.14	25%	0.249	C	C	.	.	S	Bend	trans	-62	-36	-175.2	-172.3	-99.6	0	0	0	113.9	V504 P517 T520 S565 A568	V504-F627 HydrophobicContact CB-CD1 4.47Å; V504-F627 HydrophobicContact CB-CE1 3.81Å; V504-F627 HydrophobicContact CB-CE2 4.21Å; V504-F627 HydrophobicContact CB-CZ 3.67Å; V504-F627 HydrophobicContact CG1-CD1 4.25Å; V504-F627 HydrophobicContact CG1-CE1 3.85Å; V504-F627 HydrophobicContact CG1-CZ 4.24Å; V504-F627 HydrophobicContact CG2-CD1 4.31Å; V504-F627 HydrophobicContact CG2-CD2 4Å; V504-F627 HydrophobicContact CG2-CE1 3.98Å; V504-F627 HydrophobicContact CG2-CE2 3.65Å; V504-F627 HydrophobicContact CG2-CG 4.33Å; V504-F627 HydrophobicContact CG2-CZ 3.64Å; P517-F627 HydrophobicContact CB-CD1 4.31Å; P517-F627 HydrophobicContact CB-CE1 3.72Å; P517-F627 HydrophobicContact CB-CE2 4.25Å; P517-F627 HydrophobicContact CB-CZ 3.68Å; P517-F627 HydrophobicContact CG-CE1 4.3Å; P517-F627 HydrophobicContact CG-CE2 3.92Å; P517-F627 HydrophobicContact CG-CZ 3.78Å; T520-F627 HydrophobicContact CG2-CE1 3.84Å; T520-F627 HydrophobicContact CG2-CZ 3.77Å; S565-F627 WeakPolarHBondContact O-CB 3.45Å; S565-F627 PolarHBondContact O-N 3.43Å; S565-F627 PolarHBondContact OG-N 2.93Å; A568-F627 HydrophobicContact CB-CB 3.83Å; A568-F627 HydrophobicContact CB-CD2 4.19Å; A568-F627 HydrophobicContact CB-CG 3.99Å; A568-F627 WeakPolarHBondContact O-CD2 3.4Å
628	I	94.8	Very high	93.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-112.3	125.9	167	-50.9	176.5	0	0	0	106.4	L522 W523 Q526 S565 P626 D632 F633	L522-I628 HydrophobicContact CG-CD1 4.26Å; W523-I628 HydrophobicContact CB-CD1 4.08Å; W523-I628 HydrophobicContact CB-CG1 4.46Å; W523-I628 HydrophobicContact CD2-CB 4.49Å; W523-I628 HydrophobicContact CD2-CD1 4.37Å; W523-I628 HydrophobicContact CD2-CG1 3.98Å; W523-I628 HydrophobicContact CD2-CG2 4.04Å; W523-I628 HydrophobicContact CE3-CB 4.26Å; W523-I628 HydrophobicContact CE3-CG1 3.72Å; W523-I628 HydrophobicContact CE3-CG2 4.22Å; W523-I628 HydrophobicContact CG-CD1 4.16Å; W523-I628 HydrophobicContact CG-CG1 4.29Å; W523-I628 HydrophobicContact CH2-CG2 4.28Å; W523-I628 HydrophobicContact CZ2-CG2 4.05Å; W523-I628 HydrophobicContact CZ3-CB 4.37Å; W523-I628 HydrophobicContact CZ3-CG1 4.26Å; W523-I628 HydrophobicContact CZ3-CG2 4.31Å; Q526-I628 HydrophobicContact CB-CD1 3.79Å; Q526-I628 HydrophobicContact CG-CD1 3.89Å; Q526-I628 HydrophobicContact CG-CG2 4.28Å; S565-I628 WeakPolarHBondContact OG-CA 3.19Å; S565-I628 WeakPolarHBondContact OG-CB 3.5Å; S565-I628 PolarHBondContact OG-N 3.09Å; S565-I628 PolarHBondContact OG-O 3.4Å; S565-I628 VanDerWaalsContact OG-O 3.12Å; P626-I628 VanDerWaalsContact C-N 3.31Å; P626-I628 PolarHBondContact O-N 3.04Å; I628-D632 HydrophobicContact CG2-CB 4.29Å; I628-F633 HydrophobicContact CB-CE2 3.76Å; I628-F633 HydrophobicContact CB-CZ 4.13Å; I628-F633 HydrophobicContact CD1-CZ 4.25Å; I628-F633 HydrophobicContact CG2-CD2 4.42Å; I628-F633 HydrophobicContact CG2-CE2 3.79Å; I628-F633 HydrophobicContact CG2-CZ 4.31Å
629	P	94.6	Very high	94	Very high	48 Å²	48	40.7 Å²	40.7	31%	0.312	21%	0.21	S	C	.	.			trans	-55.4	137.7	-177.4	-26.1	34.2	0	0	0	113.1	W523 K631 D632	W523-P629 VanDerWaalsContact CH2-CD 3.42Å; W523-P629 HydrophobicContact CH2-CG 4.29Å; P629-K631 VanDerWaalsContact C-N 3.29Å; P629-K631 HydrophobicContact CB-CG 4.24Å; P629-K631 PolarHBondContact O-N 3.14Å; P629-D632 WeakPolarHBondContact O-CB 3.5Å; P629-D632 PolarHBondContact O-N 2.85Å
630	V	93.8	Very high	94.1	Very high	19 Å²	19	44.4 Å²	44.4	12%	0.115	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-57.9	-41.1	-174.9	-175.1	0	0	0	0	112.4	Y562 P626 D632 F633 R938	Y562-V630 HydrophobicContact CE2-CG1 4.05Å; Y562-V630 HydrophobicContact CE2-CG2 4.41Å; P626-V630 HydrophobicContact CB-CG2 4.46Å; P626-V630 HydrophobicContact CG-CG2 3.79Å; V630-D632 PolarHBondContact O-N 2.99Å; V630-F633 WeakPolarHBondContact O-CB 3.17Å; V630-F633 PolarHBondContact O-N 3.15Å; V630-R938 VanDerWaalsContact CG1-NH1 3.34Å
631	K	94.1	Very high	94.1	Very high	157 Å²	157	44.2 Å²	44.2	68%	0.683	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-56.1	-31.1	176.6	72.8	-175.6	-176.3	172.7	0	113.1	P629 F633 V634	P629-K631 VanDerWaalsContact C-N 3.29Å; P629-K631 HydrophobicContact CB-CG 4.24Å; P629-K631 PolarHBondContact O-N 3.14Å; K631-F633 PolarHBondContact O-N 2.72Å; K631-V634 PolarHBondContact O-N 2.78Å
632	D	95.6	Very high	94.1	Very high	56 Å²	56	44.2 Å²	44.2	30%	0.299	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-73.3	-12.5	-177.5	-64	13.5	0	0	0	111.4	W523 Q526 L530 I628 P629 V630	W523-D632 WeakPolarHBondContact CZ2-OD2 3.28Å; Q526-D632 VanDerWaalsContact NE2-C 3.27Å; Q526-D632 PolarHBondContact NE2-O 3.44Å; L530-D632 WeakPolarHBondContact CD1-O 3.2Å; I628-D632 HydrophobicContact CG2-CB 4.29Å; P629-D632 WeakPolarHBondContact O-CB 3.5Å; P629-D632 PolarHBondContact O-N 2.85Å; V630-D632 PolarHBondContact O-N 2.99Å
633	F	97.4	Very high	94.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-85.6	-14.6	172.8	-73.2	-95.3	0	0	0	114.3	Q526 L530 L558 V561 Y562 I628 V630 K631 F667	Q526-F633 HydrophobicContact CG-CD1 3.97Å; Q526-F633 HydrophobicContact CG-CE1 3.55Å; Q526-F633 HydrophobicContact CG-CE2 4.41Å; Q526-F633 HydrophobicContact CG-CZ 3.79Å; L530-F633 WeakPolarHBondContact CD2-O 3.43Å; L558-F633 HydrophobicContact CD1-CD1 3.99Å; L558-F633 HydrophobicContact CD1-CE1 4.04Å; L558-F633 HydrophobicContact CD2-CD1 4.32Å; L558-F633 HydrophobicContact CG-CD1 4.01Å; L558-F633 HydrophobicContact CG-CE1 4.36Å; V561-F633 HydrophobicContact CG1-CE1 4.03Å; V561-F633 HydrophobicContact CG1-CZ 4.36Å; Y562-F633 HydrophobicContact CD2-CD1 4.14Å; Y562-F633 AromaticContact CD2-CD2 3.96Å; Y562-F633 HydrophobicContact CD2-CD2 3.96Å; Y562-F633 HydrophobicContact CD2-CE1 4.16Å; Y562-F633 AromaticContact CD2-CE2 3.96Å; Y562-F633 HydrophobicContact CD2-CE2 3.96Å; Y562-F633 HydrophobicContact CD2-CG 4.04Å; Y562-F633 HydrophobicContact CD2-CZ 4.07Å; Y562-F633 HydrophobicContact CE2-CD2 4.49Å; I628-F633 HydrophobicContact CB-CE2 3.76Å; I628-F633 HydrophobicContact CB-CZ 4.13Å; I628-F633 HydrophobicContact CD1-CZ 4.25Å; I628-F633 HydrophobicContact CG2-CD2 4.42Å; I628-F633 HydrophobicContact CG2-CE2 3.79Å; I628-F633 HydrophobicContact CG2-CZ 4.31Å; V630-F633 WeakPolarHBondContact O-CB 3.17Å; V630-F633 PolarHBondContact O-N 3.15Å; K631-F633 PolarHBondContact O-N 2.72Å; F633-F667 CarbonylContact C-O 3.5Å; F633-F667 HydrophobicContact CB-CD2 4.18Å; F633-F667 HydrophobicContact CD1-CD2 4.24Å
634	V	97.2	Very high	93.9	Very high	38 Å²	38	48.6 Å²	48.6	23%	0.23	25%	0.252	C	S	.	.			trans	-72.6	131.1	-178.3	179.6	0	0	0	0	109.5	K631 Q670	K631-V634 PolarHBondContact O-N 2.78Å; V634-Q670 HydrophobicContact CG1-CB 4.4Å; V634-Q670 HydrophobicContact CG1-CG 3.56Å
635	N	96.9	Very high	93.9	Very high	5 Å²	5	48.1 Å²	48.1	3%	0.027	25%	0.251	C	S	.	.			trans	-107.7	100.4	179.7	-166.9	-66.9	0	0	0	110.7	L530 T534 T637 L638 N639 L668	L530-N635 HydrophobicContact CD2-CB 3.88Å; L530-N635 PolarHBondContact O-ND2 3.22Å; T534-N635 PolarHBondContact OG1-ND2 3.05Å; T534-N635 PolarHBondContact OG1-OD1 2.74Å; N635-T637 PolarHBondContact O-N 2.66Å; N635-T637 PolarHBondContact OD1-N 3Å; N635-L638 HydrophobicContact CB-CB 3.8Å; N635-L638 HydrophobicContact CB-CD2 4.34Å; N635-L638 WeakPolarHBondContact O-CB 3.36Å; N635-L638 PolarHBondContact O-N 3.46Å; N635-L638 WeakPolarHBondContact OD1-CB 3.44Å; N635-L638 PolarHBondContact OD1-N 2.84Å; N635-N639 PolarHBondContact O-N 3.38Å; N635-N639 VanDerWaalsContact O-N 3.11Å; N635-N639 PolarHBondContact O-ND2 3.32Å; N635-L668 HydrophobicContact CB-CD2 4.03Å; N635-L668 PolarHBondContact N-O 2.87Å
636	E	94.5	Very high	93.9	Very high	131 Å²	131	47.2 Å²	47.2	61%	0.612	25%	0.248	S	C	*	.	H	α-helix	trans	-58.2	-46.9	-174.9	-53.6	-172.2	135.5	0	0	111.9	L638 N639 D640	E636-L638 VanDerWaalsContact C-N 3.29Å; E636-L638 PolarHBondContact O-N 3.04Å; E636-N639 WeakPolarHBondContact O-CA 3.19Å; E636-N639 WeakPolarHBondContact O-CB 3.31Å; E636-N639 PolarHBondContact O-N 2.78Å; E636-D640 PolarHBondContact O-N 3.44Å
637	T	95.2	Very high	93.8	Very high	36 Å²	36	46.1 Å²	46.1	22%	0.221	24%	0.24	C	C	.	.	H	α-helix	trans	-63.9	-30.7	179.8	-39.9	0	0	0	0	113.7	T534 C537 L538 N635 G641	T534-T637 HydrophobicContact CG2-CG2 4.34Å; C537-T637 HydrophobicContact CB-CG2 3.91Å; L538-T637 HydrophobicContact CD1-CG2 4.42Å; L538-T637 HydrophobicContact CD2-CG2 3.75Å; L538-T637 HydrophobicContact CG-CG2 3.84Å; N635-T637 PolarHBondContact O-N 2.66Å; N635-T637 PolarHBondContact OD1-N 3Å; T637-G641 PolarHBondContact O-N 3.44Å
638	L	95.7	Very high	93.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-66.6	-43.8	169.4	175	66.2	0	0	0	110.8	I533 P545 I551 N635 E636 G641 L642 F662 L668	I533-L638 HydrophobicContact CG2-CB 4.13Å; I533-L638 HydrophobicContact CG2-CD1 4.46Å; I533-L638 HydrophobicContact CG2-CD2 4.38Å; P545-L638 HydrophobicContact CB-CD1 3.36Å; P545-L638 HydrophobicContact CG-CD1 3.84Å; I551-L638 HydrophobicContact CG2-CD1 4.23Å; N635-L638 HydrophobicContact CB-CB 3.8Å; N635-L638 HydrophobicContact CB-CD2 4.34Å; N635-L638 WeakPolarHBondContact O-CB 3.36Å; N635-L638 PolarHBondContact O-N 3.46Å; N635-L638 WeakPolarHBondContact OD1-CB 3.44Å; N635-L638 PolarHBondContact OD1-N 2.84Å; E636-L638 VanDerWaalsContact C-N 3.29Å; E636-L638 PolarHBondContact O-N 3.04Å; L638-G641 PolarHBondContact O-N 3.31Å; L638-L642 HydrophobicContact CD1-CD1 4.26Å; L638-L642 HydrophobicContact CD1-CG 4.28Å; L638-L642 HydrophobicContact CG-CD1 4Å; L638-L642 HydrophobicContact CG-CG 4.45Å; L638-L642 WeakPolarHBondContact O-CG 3.5Å; L638-L642 PolarHBondContact O-N 2.86Å; L638-F662 HydrophobicContact CD1-CD1 4.45Å; L638-F662 HydrophobicContact CD1-CE1 4.06Å; L638-F662 HydrophobicContact CD1-CE2 4.18Å; L638-F662 HydrophobicContact CD1-CZ 3.93Å; L638-F662 HydrophobicContact CD2-CD1 3.82Å; L638-F662 HydrophobicContact CD2-CE1 3.9Å; L638-F662 HydrophobicContact CD2-CG 4.44Å; L638-L668 HydrophobicContact CD2-CB 4.19Å; L638-L668 HydrophobicContact CD2-CD1 4.27Å; L638-L668 HydrophobicContact CD2-CD2 4.01Å; L638-L668 HydrophobicContact CD2-CG 4.41Å
639	N	94.9	Very high	93.5	Very high	12 Å²	12	45.8 Å²	45.8	6%	0.064	24%	0.239	C	C	.	.	H	α-helix	trans	-65.2	-40.8	179.8	-75.6	-99.9	0	0	0	111.6	N635 E636 G641 L642 L668 L669 Q670 S673	N635-N639 PolarHBondContact O-N 3.38Å; N635-N639 VanDerWaalsContact O-N 3.11Å; N635-N639 PolarHBondContact O-ND2 3.32Å; E636-N639 WeakPolarHBondContact O-CA 3.19Å; E636-N639 WeakPolarHBondContact O-CB 3.31Å; E636-N639 PolarHBondContact O-N 2.78Å; N639-G641 VanDerWaalsContact C-N 3.33Å; N639-G641 PolarHBondContact O-N 2.9Å; N639-L642 PolarHBondContact O-N 3.05Å; N639-L668 PolarHBondContact ND2-O 3.24Å; N639-L669 WeakPolarHBondContact OD1-CA 3.49Å; N639-Q670 HydrophobicContact CB-CG 4.35Å; N639-Q670 PolarHBondContact OD1-N 2.92Å; N639-S673 VanDerWaalsContact OD1-CB 3.22Å; N639-S673 WeakPolarHBondContact OD1-CB 3.26Å; N639-S673 PolarHBondContact OD1-OG 2.84Å
640	D	92	Very high	93.2	Very high	125 Å²	125	45.4 Å²	45.4	67%	0.668	23%	0.232	S	C	*	.	H	α-helix	trans	-65.4	-33.5	174.7	-67.4	-36.7	0	0	0	113	E636	E636-D640 PolarHBondContact O-N 3.44Å
641	G	91.6	Very high	93	Very high	32 Å²	32	46.5 Å²	46.5	33%	0.33	23%	0.234	S	C	.	.	H	α-helix	trans	-83.5	-12.4	178.6	0	0	0	0	0	114.9	P545 T637 L638 N639	P545-G641 WeakPolarHBondContact CD-O 3.45Å; T637-G641 PolarHBondContact O-N 3.44Å; L638-G641 PolarHBondContact O-N 3.31Å; N639-G641 VanDerWaalsContact C-N 3.33Å; N639-G641 PolarHBondContact O-N 2.9Å
642	L	92	Very high	92.5	Very high	21 Å²	21	43.5 Å²	43.5	11%	0.11	22%	0.219	C	C	.	.			trans	-79.6	146.6	-179.6	-81.7	168.1	0	0	0	112	P545 N546 L638 N639 F662 L669	P545-L642 HydrophobicContact CB-CD2 4.37Å; P545-L642 HydrophobicContact CG-CD2 4.37Å; P545-L642 HydrophobicContact CG-CG 4.39Å; N546-L642 VanDerWaalsContact OD1-CD2 3.3Å; N546-L642 WeakPolarHBondContact OD1-CD2 3.46Å; L638-L642 HydrophobicContact CD1-CD1 4.26Å; L638-L642 HydrophobicContact CD1-CG 4.28Å; L638-L642 HydrophobicContact CG-CD1 4Å; L638-L642 HydrophobicContact CG-CG 4.45Å; L638-L642 WeakPolarHBondContact O-CG 3.5Å; L638-L642 PolarHBondContact O-N 2.86Å; N639-L642 PolarHBondContact O-N 3.05Å; L642-F662 HydrophobicContact CD1-CB 4.1Å; L642-F662 HydrophobicContact CD1-CD2 4.13Å; L642-F662 HydrophobicContact CD1-CG 4.23Å; L642-F662 HydrophobicContact CD2-CD2 3.56Å; L642-F662 HydrophobicContact CD2-CE2 4Å; L642-F662 HydrophobicContact CD2-CG 4.44Å; L642-F662 HydrophobicContact CG-CD2 4.43Å; L642-L669 HydrophobicContact CD1-CD2 3.78Å
643	Q	92.7	Very high	91.8	Very high	89 Å²	89	41.9 Å²	41.9	42%	0.416	21%	0.212	S	C	.	.			trans	-112	99	170.7	-68.9	-177.3	-1.6	0	0	108.5	L544 K645 K646 D647	L544-Q643 HydrophobicContact CD2-CB 3.83Å; L544-Q643 HydrophobicContact CD2-CG 3.65Å; Q643-K645 VanDerWaalsContact C-N 3.32Å; Q643-K645 PolarHBondContact O-N 2.75Å; Q643-K646 HydrophobicContact CB-CB 4.38Å; Q643-K646 HydrophobicContact CB-CD 4.34Å; Q643-K646 HydrophobicContact CB-CG 4.46Å; Q643-K646 WeakPolarHBondContact O-CA 3.46Å; Q643-K646 WeakPolarHBondContact O-CB 3.11Å; Q643-K646 PolarHBondContact O-N 3.37Å; Q643-D647 PolarHBondContact O-N 2.98Å
644	P	90.2	Very high	90.4	Very high	39 Å²	39	51.3 Å²	51.3	25%	0.253	25%	0.253	S	S	.	.	H	α-helix	trans	-57.2	-38.3	-169.7	-29.3	36.8	0	0	0	114.4	K646 D647 Y648 V676 L677 Y680	P644-K646 PolarHBondContact O-N 3Å; P644-K646 VanDerWaalsContact O-N 3.14Å; P644-D647 PolarHBondContact O-N 3.33Å; P644-Y648 VanDerWaalsContact O-CB 3.31Å; P644-Y648 WeakPolarHBondContact O-CB 3.49Å; P644-Y648 PolarHBondContact O-N 3.06Å; P644-V676 HydrophobicContact CB-CG1 3.69Å; P644-V676 HydrophobicContact CG-CG1 3.93Å; P644-L677 HydrophobicContact CB-CD2 4.04Å; P644-L677 HydrophobicContact CB-CG 4.39Å; P644-Y680 HydrophobicContact CB-CD2 4.17Å; P644-Y680 HydrophobicContact CB-CE2 3.93Å
645	K	89.7	Confident	88.6	Confident	41 Å²	41	52.2 Å²	52.2	18%	0.178	27%	0.27	C	S	.	.	H	α-helix	trans	-51.8	-34	172	-173.7	169.8	171.2	173.6	0	112.4	F160 D161 E164 Q643 I649 Y680	F160-K645 HydrophobicContact CB-CD 4.39Å; F160-K645 VanDerWaalsContact CB-CE 3.43Å; F160-K645 HydrophobicContact CD2-CD 4.36Å; F160-K645 HydrophobicContact CD2-CG 4.04Å; F160-K645 HydrophobicContact CE2-CG 4.33Å; D161-K645 IonicContact OD1-NZ 3.23Å; D161-K645 PolarHBondContact OD1-NZ 2.81Å; E164-K645 VanDerWaalsContact CD-NZ 3.3Å; E164-K645 IonicContact OE1-NZ 3.2Å; E164-K645 PolarHBondContact OE1-NZ 2.96Å; E164-K645 IonicContact OE2-NZ 2.68Å; E164-K645 PolarHBondContact OE2-NZ 3.28Å; Q643-K645 VanDerWaalsContact C-N 3.32Å; Q643-K645 PolarHBondContact O-N 2.75Å; K645-I649 VanDerWaalsContact O-CD1 3.27Å; K645-I649 WeakPolarHBondContact O-CD1 2.81Å; K645-I649 VanDerWaalsContact O-CG1 3.24Å; K645-I649 WeakPolarHBondContact O-CG1 3.42Å; K645-Y680 HydrophobicContact CB-CE1 4.21Å; K645-Y680 HydrophobicContact CB-CE2 4.3Å; K645-Y680 HydrophobicContact CG-CE1 4.32Å
646	K	91.3	Very high	87	Confident	85 Å²	85	56.9 Å²	56.9	37%	0.37	29%	0.294	S	S	.	.	H	α-helix	trans	-90.3	-39	178.3	-66.9	-178.3	-177.4	163.5	0	113.7	L544 Q643 P644 Y648 I649 Y650	L544-K646 HydrophobicContact CD1-CD 3.52Å; L544-K646 HydrophobicContact CD2-CD 4.43Å; Q643-K646 HydrophobicContact CB-CB 4.38Å; Q643-K646 HydrophobicContact CB-CD 4.34Å; Q643-K646 HydrophobicContact CB-CG 4.46Å; Q643-K646 WeakPolarHBondContact O-CA 3.46Å; Q643-K646 WeakPolarHBondContact O-CB 3.11Å; Q643-K646 PolarHBondContact O-N 3.37Å; P644-K646 PolarHBondContact O-N 3Å; P644-K646 VanDerWaalsContact O-N 3.14Å; K646-Y648 VanDerWaalsContact C-N 3.26Å; K646-Y648 PolarHBondContact O-N 3.24Å; K646-I649 WeakPolarHBondContact O-CB 3.09Å; K646-I649 PolarHBondContact O-N 3.33Å; K646-I649 VanDerWaalsContact O-N 3.1Å; K646-Y650 WeakPolarHBondContact O-CD2 3.44Å; K646-Y650 PolarHBondContact O-N 2.84Å
647	D	92.8	Very high	85.9	Confident	3 Å²	3	52.1 Å²	52.1	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-60	-41.4	174.5	-163.9	94.4	0	0	0	110.7	N546 Q643 P644 I649 Y650 Y651 S661 F662 M663 L677	N546-D647 PolarHBondContact ND2-OD1 2.94Å; Q643-D647 PolarHBondContact O-N 2.98Å; P644-D647 PolarHBondContact O-N 3.33Å; D647-I649 PolarHBondContact O-N 3.17Å; D647-Y650 CarbonylContact O-C 3.59Å; D647-Y650 PolarHBondContact O-N 3.45Å; D647-Y651 PolarHBondContact O-N 3.23Å; D647-S661 PolarHBondContact O-OG 2.93Å; D647-S661 WeakPolarHBondContact OD1-CA 3.46Å; D647-S661 WeakPolarHBondContact OD2-CB 3.43Å; D647-S661 PolarHBondContact OD2-OG 3.2Å; D647-F662 WeakPolarHBondContact OD1-CD2 3.27Å; D647-F662 PolarHBondContact OD1-N 3.22Å; D647-F662 PolarHBondContact OD2-N 3.42Å; D647-M663 WeakPolarHBondContact OD2-CB 3.44Å; D647-M663 PolarHBondContact OD2-N 3.18Å; D647-L677 HydrophobicContact CB-CD2 4.26Å
648	Y	91.1	Very high	85	Confident	4 Å²	4	57.8 Å²	57.8	2%	0.016	30%	0.303	C	S	.	.	H	α-helix	trans	-62.3	-38.2	172.9	-177.2	-97.2	0	0	0	113.3	P644 K646 Y651 R652 M663 D681 M684	P644-Y648 VanDerWaalsContact O-CB 3.31Å; P644-Y648 WeakPolarHBondContact O-CB 3.49Å; P644-Y648 PolarHBondContact O-N 3.06Å; K646-Y648 VanDerWaalsContact C-N 3.26Å; K646-Y648 PolarHBondContact O-N 3.24Å; Y648-Y651 HydrophobicContact CD2-CD1 4.28Å; Y648-Y651 HydrophobicContact CE2-CD1 4.09Å; Y648-Y651 WeakPolarHBondContact O-CB 3.37Å; Y648-Y651 PolarHBondContact O-N 2.92Å; Y648-R652 HydrophobicContact CE1-CB 4.27Å; Y648-R652 WeakPolarHBondContact O-CB 3.32Å; Y648-R652 PolarHBondContact O-N 3.24Å; Y648-M663 HydrophobicContact CD2-CE 4.27Å; Y648-M663 HydrophobicContact CD2-SD 3.95Å; Y648-M663 HydrophobicContact CE2-CE 4.39Å; Y648-D681 HydrophobicContact CD2-CB 4.35Å; Y648-D681 HydrophobicContact CE2-CB 3.53Å; Y648-D681 WeakPolarHBondContact CE2-OD1 3.4Å; Y648-D681 VanDerWaalsContact CZ-OD1 3.27Å; Y648-D681 PolarHBondContact OH-OD1 2.9Å; Y648-M684 HydrophobicContact CE1-CB 4.41Å; Y648-M684 HydrophobicContact CE1-CG 3.89Å
649	I	89.3	Confident	84.5	Confident	21 Å²	21	60.5 Å²	60.5	11%	0.108	32%	0.316	C	S	.	.	H	α-helix	trans	-63.4	-43.9	172.6	-73.8	166	0	0	0	110.5	T153 I156 K645 K646 D647 Y651 R652 S653	T153-I649 HydrophobicContact CG2-CG2 4.39Å; I156-I649 HydrophobicContact CG2-CD1 4.02Å; I156-I649 HydrophobicContact CG2-CG1 3.86Å; K645-I649 VanDerWaalsContact O-CD1 3.27Å; K645-I649 WeakPolarHBondContact O-CD1 2.81Å; K645-I649 VanDerWaalsContact O-CG1 3.24Å; K645-I649 WeakPolarHBondContact O-CG1 3.42Å; K646-I649 WeakPolarHBondContact O-CB 3.09Å; K646-I649 PolarHBondContact O-N 3.33Å; K646-I649 VanDerWaalsContact O-N 3.1Å; D647-I649 PolarHBondContact O-N 3.17Å; I649-Y651 VanDerWaalsContact C-N 3.34Å; I649-Y651 PolarHBondContact O-N 3.16Å; I649-R652 PolarHBondContact O-N 2.99Å; I649-S653 WeakPolarHBondContact O-CB 3.27Å; I649-S653 PolarHBondContact O-N 2.86Å
650	Y	90.2	Very high	84.3	Confident	40 Å²	40	61.2 Å²	61.2	16%	0.157	32%	0.32	C	S	.	.	H	α-helix	trans	-63.7	-38.4	175.3	-64.5	-38.4	0	0	0	112	N546 E547 K646 D647 S653 S657 E659	N546-Y650 HydrophobicContact CB-CD2 3.83Å; N546-Y650 HydrophobicContact CB-CE2 3.6Å; E547-Y650 PolarHBondContact OE1-OH 3.36Å; E547-Y650 VanDerWaalsContact OE1-OH 3.08Å; K646-Y650 WeakPolarHBondContact O-CD2 3.44Å; K646-Y650 PolarHBondContact O-N 2.84Å; D647-Y650 CarbonylContact O-C 3.59Å; D647-Y650 PolarHBondContact O-N 3.45Å; Y650-S653 PolarHBondContact O-OG 3.22Å; Y650-S657 WeakPolarHBondContact CD1-OG 3.36Å; Y650-E659 HydrophobicContact CD1-CB 4.44Å; Y650-E659 HydrophobicContact CE1-CB 4.39Å; Y650-E659 HydrophobicContact CE2-CB 4.47Å
651	Y	88.6	Confident	84.3	Confident	41 Å²	41	55.3 Å²	55.3	16%	0.161	29%	0.288	C	S	.	.	H	α-helix	trans	-58.6	-58.2	171.7	176.6	-101.4	0	0	0	112.3	P608 D647 Y648 I649 S653 S661 M663 K664	P608-Y651 WeakPolarHBondContact CG-OH 3.39Å; D647-Y651 PolarHBondContact O-N 3.23Å; Y648-Y651 HydrophobicContact CD2-CD1 4.28Å; Y648-Y651 HydrophobicContact CE2-CD1 4.09Å; Y648-Y651 WeakPolarHBondContact O-CB 3.37Å; Y648-Y651 PolarHBondContact O-N 2.92Å; I649-Y651 VanDerWaalsContact C-N 3.34Å; I649-Y651 PolarHBondContact O-N 3.16Å; Y651-S653 PolarHBondContact O-N 2.99Å; Y651-S661 WeakPolarHBondContact CB-OG 3.38Å; Y651-M663 HydrophobicContact CD1-CE 3.98Å; Y651-M663 HydrophobicContact CD1-SD 3.54Å; Y651-M663 VanDerWaalsContact CD1-SD 3.54Å; Y651-M663 HydrophobicContact CD2-CB 4.05Å; Y651-M663 HydrophobicContact CD2-CG 3.97Å; Y651-M663 HydrophobicContact CD2-SD 3.7Å; Y651-M663 HydrophobicContact CE1-CE 3.77Å; Y651-M663 HydrophobicContact CE1-SD 3.92Å; Y651-M663 HydrophobicContact CE2-CE 4.36Å; Y651-M663 HydrophobicContact CE2-CG 4.23Å; Y651-M663 HydrophobicContact CE2-SD 4.07Å; Y651-M663 HydrophobicContact CG-CB 4.4Å; Y651-M663 HydrophobicContact CG-CE 4.37Å; Y651-M663 HydrophobicContact CG-CG 4.27Å; Y651-M663 HydrophobicContact CG-SD 3.41Å; Y651-K664 HydrophobicContact CD2-CG 4.01Å; Y651-K664 HydrophobicContact CE2-CG 4.4Å
652	R	84.6	Confident	84.5	Confident	95 Å²	95	53.8 Å²	53.8	36%	0.358	27%	0.273	S	S	.	.	H	α-helix	trans	-68.2	-13.7	-177.1	-173.4	165.1	171.6	160.9	-3.4	113.3	Y648 I649 K654 D688	Y648-R652 HydrophobicContact CE1-CB 4.27Å; Y648-R652 WeakPolarHBondContact O-CB 3.32Å; Y648-R652 PolarHBondContact O-N 3.24Å; I649-R652 PolarHBondContact O-N 2.99Å; R652-K654 PolarHBondContact O-N 2.73Å; R652-K654 VanDerWaalsContact O-N 3.1Å; R652-D688 IonicContact CZ-OD2 2.91Å; R652-D688 IonicContact NH1-OD2 2.77Å; R652-D688 PolarHBondContact NH1-OD2 3.34Å; R652-D688 IonicContact NH2-OD2 3.45Å; R652-D688 PolarHBondContact NH2-OD2 3.47Å
653	S	79.7	Confident	84.5	Confident	21 Å²	21	52.8 Å²	52.8	15%	0.147	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-9.1	-179.2	78.2	0	0	0	0	116.1	I649 Y650 Y651 G655 I656 S657	I649-S653 WeakPolarHBondContact O-CB 3.27Å; I649-S653 PolarHBondContact O-N 2.86Å; Y650-S653 PolarHBondContact O-OG 3.22Å; Y651-S653 PolarHBondContact O-N 2.99Å; S653-G655 VanDerWaalsContact C-N 3.25Å; S653-G655 PolarHBondContact O-N 2.84Å; S653-G655 VanDerWaalsContact O-N 3.07Å; S653-I656 WeakPolarHBondContact O-CB 3.43Å; S653-I656 WeakPolarHBondContact O-CD1 3.41Å; S653-I656 VanDerWaalsContact O-CG1 3.28Å; S653-I656 WeakPolarHBondContact O-CG1 3.46Å; S653-I656 PolarHBondContact O-N 2.7Å; S653-S657 WeakPolarHBondContact OG-CB 3.32Å; S653-S657 PolarHBondContact OG-N 3.12Å
654	K	67.4	Low	84.5	Confident	199 Å²	199	52.6 Å²	52.6	87%	0.865	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	40.3	175.6	-69.7	-171.4	175	-173.2	0	115	R652	R652-K654 PolarHBondContact O-N 2.73Å; R652-K654 VanDerWaalsContact O-N 3.1Å
655	G	61.2	Low	84.8	Confident	57 Å²	57	51 Å²	51	59%	0.588	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	5.5	177.5	0	0	0	0	0	115.2	S653	S653-G655 VanDerWaalsContact C-N 3.25Å; S653-G655 PolarHBondContact O-N 2.84Å; S653-G655 VanDerWaalsContact O-N 3.07Å
656	I	62.8	Low	85	Confident	103 Å²	103	50 Å²	50	53%	0.528	25%	0.253	S	S	.	.	S	Bend	trans	-69.6	-37.7	168.1	-69.6	168.2	0	0	0	110.9	P149 S653	P149-I656 HydrophobicContact CB-CG2 3.39Å; P149-I656 HydrophobicContact CG-CD1 4.3Å; P149-I656 HydrophobicContact CG-CG1 4.39Å; P149-I656 HydrophobicContact CG-CG2 3.41Å; P149-I656 VanDerWaalsContact CG-CG2 3.41Å; S653-I656 WeakPolarHBondContact O-CB 3.43Å; S653-I656 WeakPolarHBondContact O-CD1 3.41Å; S653-I656 VanDerWaalsContact O-CG1 3.28Å; S653-I656 WeakPolarHBondContact O-CG1 3.46Å; S653-I656 PolarHBondContact O-N 2.7Å
657	S	70	Confident	85.2	Confident	31 Å²	31	46.4 Å²	46.4	22%	0.217	24%	0.237	C	C	.	.			trans	-88.3	139.2	166.6	-168.3	0	0	0	0	110.1	Y650 S653 E659	Y650-S657 WeakPolarHBondContact CD1-OG 3.36Å; S653-S657 WeakPolarHBondContact OG-CB 3.32Å; S653-S657 PolarHBondContact OG-N 3.12Å; S657-E659 VanDerWaalsContact C-N 3.35Å; S657-E659 PolarHBondContact OG-N 3.04Å; S657-E659 VanDerWaalsContact OG-N 3.17Å
658	N	76.8	Confident	85.4	Confident	154 Å²	154	46.2 Å²	46.2	82%	0.824	24%	0.236	S	C	*	.			trans	-85.9	-10.3	167.9	-70.5	-40.4	0	0	0	112.4
659	E	85.1	Confident	85.7	Confident	58 Å²	58	46.1 Å²	46.1	27%	0.271	24%	0.235	S	C	.	.	S	Bend	trans	-77.1	144.6	-177.4	-48.9	-44.2	139.7	0	0	111.1	Y650 S657	Y650-E659 HydrophobicContact CD1-CB 4.44Å; Y650-E659 HydrophobicContact CE1-CB 4.39Å; Y650-E659 HydrophobicContact CE2-CB 4.47Å; S657-E659 VanDerWaalsContact C-N 3.35Å; S657-E659 PolarHBondContact OG-N 3.04Å; S657-E659 VanDerWaalsContact OG-N 3.17Å
660	L	90.8	Very high	85.9	Confident	27 Å²	27	47.2 Å²	47.2	14%	0.141	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-72.3	139	-179	-179	63.1	0	0	0	110.4	N546 C552 A555 L556 F662 L665	N546-L660 PolarHBondContact ND2-O 3.17Å; C552-L660 HydrophobicContact CB-CB 4.13Å; C552-L660 HydrophobicContact CB-CD2 3.87Å; A555-L660 HydrophobicContact CB-CD2 4.28Å; L556-L660 HydrophobicContact CD2-CD1 4.32Å; L556-L660 HydrophobicContact CG-CD2 4.41Å; L660-F662 HydrophobicContact CD2-CD1 4.48Å; L660-F662 HydrophobicContact CD2-CE1 4.05Å; L660-F662 HydrophobicContact CD2-CZ 4.23Å; L660-L665 HydrophobicContact CD1-CD1 4.46Å; L660-L665 HydrophobicContact CD2-CD1 3.92Å
661	S	93.2	Very high	86.1	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-103.1	129.4	162.5	152.1	0	0	0	0	108.7	D647 Y651 M663 K664	D647-S661 PolarHBondContact O-OG 2.93Å; D647-S661 WeakPolarHBondContact OD1-CA 3.46Å; D647-S661 WeakPolarHBondContact OD2-CB 3.43Å; D647-S661 PolarHBondContact OD2-OG 3.2Å; Y651-S661 WeakPolarHBondContact CB-OG 3.38Å; S661-M663 VanDerWaalsContact C-N 3.27Å; S661-M663 VanDerWaalsContact OG-CB 3.27Å; S661-M663 WeakPolarHBondContact OG-CB 3.33Å; S661-M663 PolarHBondContact OG-N 2.91Å; S661-K664 WeakPolarHBondContact O-CB 3.36Å; S661-K664 PolarHBondContact O-N 3.2Å
662	F	94.9	Very high	86.3	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-77.4	-14.3	178.2	-63.7	-88.1	0	0	0	112.4	P545 I551 A555 L638 L642 D647 L660 K664 L665 L668 L669	P545-F662 HydrophobicContact CB-CE2 4.18Å; P545-F662 HydrophobicContact CB-CZ 4.4Å; I551-F662 HydrophobicContact CG2-CE1 4.26Å; I551-F662 HydrophobicContact CG2-CZ 3.84Å; A555-F662 HydrophobicContact CB-CE1 3.88Å; L638-F662 HydrophobicContact CD1-CD1 4.45Å; L638-F662 HydrophobicContact CD1-CE1 4.06Å; L638-F662 HydrophobicContact CD1-CE2 4.18Å; L638-F662 HydrophobicContact CD1-CZ 3.93Å; L638-F662 HydrophobicContact CD2-CD1 3.82Å; L638-F662 HydrophobicContact CD2-CE1 3.9Å; L638-F662 HydrophobicContact CD2-CG 4.44Å; L642-F662 HydrophobicContact CD1-CB 4.1Å; L642-F662 HydrophobicContact CD1-CD2 4.13Å; L642-F662 HydrophobicContact CD1-CG 4.23Å; L642-F662 HydrophobicContact CD2-CD2 3.56Å; L642-F662 HydrophobicContact CD2-CE2 4Å; L642-F662 HydrophobicContact CD2-CG 4.44Å; L642-F662 HydrophobicContact CG-CD2 4.43Å; D647-F662 WeakPolarHBondContact OD1-CD2 3.27Å; D647-F662 PolarHBondContact OD1-N 3.22Å; D647-F662 PolarHBondContact OD2-N 3.42Å; L660-F662 HydrophobicContact CD2-CD1 4.48Å; L660-F662 HydrophobicContact CD2-CE1 4.05Å; L660-F662 HydrophobicContact CD2-CZ 4.23Å; F662-K664 PolarHBondContact O-N 3.37Å; F662-K664 VanDerWaalsContact O-N 3.14Å; F662-L665 CarbonylContact O-C 3.58Å; F662-L665 VanDerWaalsContact O-C 3.3Å; F662-L665 WeakPolarHBondContact O-CA 2.89Å; F662-L665 PolarHBondContact O-N 2.98Å; F662-L668 HydrophobicContact CD1-CD1 4.08Å; F662-L668 HydrophobicContact CE1-CD1 4.42Å; F662-L669 HydrophobicContact CB-CD2 4.01Å; F662-L669 WeakPolarHBondContact O-CD1 3.29Å
663	M	93	Very high	86.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-53	-27.7	162.9	-165.5	176.4	176.8	0	0	112.1	D647 Y648 Y651 S661 L665 L677 P932 F935 L936	D647-M663 WeakPolarHBondContact OD2-CB 3.44Å; D647-M663 PolarHBondContact OD2-N 3.18Å; Y648-M663 HydrophobicContact CD2-CE 4.27Å; Y648-M663 HydrophobicContact CD2-SD 3.95Å; Y648-M663 HydrophobicContact CE2-CE 4.39Å; Y651-M663 HydrophobicContact CD1-CE 3.98Å; Y651-M663 HydrophobicContact CD1-SD 3.54Å; Y651-M663 VanDerWaalsContact CD1-SD 3.54Å; Y651-M663 HydrophobicContact CD2-CB 4.05Å; Y651-M663 HydrophobicContact CD2-CG 3.97Å; Y651-M663 HydrophobicContact CD2-SD 3.7Å; Y651-M663 HydrophobicContact CE1-CE 3.77Å; Y651-M663 HydrophobicContact CE1-SD 3.92Å; Y651-M663 HydrophobicContact CE2-CE 4.36Å; Y651-M663 HydrophobicContact CE2-CG 4.23Å; Y651-M663 HydrophobicContact CE2-SD 4.07Å; Y651-M663 HydrophobicContact CG-CB 4.4Å; Y651-M663 HydrophobicContact CG-CE 4.37Å; Y651-M663 HydrophobicContact CG-CG 4.27Å; Y651-M663 HydrophobicContact CG-SD 3.41Å; S661-M663 VanDerWaalsContact C-N 3.27Å; S661-M663 VanDerWaalsContact OG-CB 3.27Å; S661-M663 WeakPolarHBondContact OG-CB 3.33Å; S661-M663 PolarHBondContact OG-N 2.91Å; M663-L665 VanDerWaalsContact C-N 3.32Å; M663-L677 HydrophobicContact CB-CD1 4.06Å; M663-L677 HydrophobicContact CG-CD1 4.17Å; M663-L677 HydrophobicContact SD-CB 4.35Å; M663-L677 HydrophobicContact SD-CD2 4.38Å; M663-P932 HydrophobicContact CE-CB 4.43Å; M663-P932 HydrophobicContact CE-CG 4.08Å; M663-F935 WeakPolarHBondContact O-CE1 3.18Å; M663-L936 HydrophobicContact CE-CD1 3.93Å; M663-L936 HydrophobicContact CG-CD2 3.75Å; M663-L936 WeakPolarHBondContact O-CD2 3.27Å
664	K	92.2	Very high	87.5	Confident	86 Å²	86	40.9 Å²	40.9	37%	0.374	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-80.6	-6.4	174	-57.6	-179.6	-179.2	173.4	0	114.4	Y651 S661 F662 P666	Y651-K664 HydrophobicContact CD2-CG 4.01Å; Y651-K664 HydrophobicContact CE2-CG 4.4Å; S661-K664 WeakPolarHBondContact O-CB 3.36Å; S661-K664 PolarHBondContact O-N 3.2Å; F662-K664 PolarHBondContact O-N 3.37Å; F662-K664 VanDerWaalsContact O-N 3.14Å; K664-P666 VanDerWaalsContact C-CD 3.42Å
665	L	95.2	Very high	88.8	Confident	4 Å²	4	32 Å²	32	2%	0.021	18%	0.184	C	C	.	.			trans	-127.3	59.1	179.5	-59.7	179.3	0	0	0	110.1	A555 R559 L660 F662 M663 F667 L668	A555-L665 HydrophobicContact CB-CD1 3.76Å; R559-L665 HydrophobicContact CB-CD2 4.07Å; R559-L665 HydrophobicContact CG-CD2 4.1Å; L660-L665 HydrophobicContact CD1-CD1 4.46Å; L660-L665 HydrophobicContact CD2-CD1 3.92Å; F662-L665 CarbonylContact O-C 3.58Å; F662-L665 VanDerWaalsContact O-C 3.3Å; F662-L665 WeakPolarHBondContact O-CA 2.89Å; F662-L665 PolarHBondContact O-N 2.98Å; M663-L665 VanDerWaalsContact C-N 3.32Å; L665-F667 HydrophobicContact CB-CE1 3.87Å; L665-F667 HydrophobicContact CB-CZ 4.07Å; L665-F667 HydrophobicContact CD2-CE1 3.85Å; L665-F667 HydrophobicContact CD2-CZ 4.09Å; L665-F667 HydrophobicContact CG-CE1 4.43Å; L665-F667 PolarHBondContact O-N 3.34Å; L665-L668 HydrophobicContact CB-CD1 4.17Å; L665-L668 HydrophobicContact CD1-CD1 4.08Å; L665-L668 WeakPolarHBondContact O-CB 3.42Å; L665-L668 PolarHBondContact O-N 2.93Å
666	P	94.9	Very high	90.3	Very high	22 Å²	22	32 Å²	32	14%	0.143	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-61.7	-16.4	-167.6	23.3	-33.9	0	0	0	114.9	K664 L668 L669 K674 L936	K664-P666 VanDerWaalsContact C-CD 3.42Å; P666-L668 PolarHBondContact O-N 3.27Å; P666-L669 PolarHBondContact O-N 2.88Å; P666-K674 WeakPolarHBondContact O-CE 3.45Å; P666-K674 PolarHBondContact O-NZ 3.38Å; P666-L936 HydrophobicContact CB-CD2 4.27Å
667	F	95.7	Very high	91.8	Very high	8 Å²	8	27.4 Å²	27.4	4%	0.035	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-69.1	-15.8	173.3	64.2	-91.8	0	0	0	114.1	L558 R559 Y562 F633 L665	L558-F667 HydrophobicContact CB-CE2 4.39Å; L558-F667 HydrophobicContact CD2-CE2 4.13Å; L558-F667 HydrophobicContact CG-CE2 4.05Å; R559-F667 VanDerWaalsContact CA-CZ 3.44Å; R559-F667 HydrophobicContact CB-CE1 4.07Å; R559-F667 HydrophobicContact CB-CZ 3.86Å; R559-F667 HydrophobicContact CG-CE1 4.1Å; R559-F667 HydrophobicContact CG-CZ 4.4Å; Y562-F667 HydrophobicContact CD1-CB 4.07Å; Y562-F667 AromaticContact CD1-CD1 3.68Å; Y562-F667 HydrophobicContact CD1-CD1 3.68Å; Y562-F667 HydrophobicContact CD1-CE1 4.33Å; Y562-F667 AromaticContact CD1-CG 3.82Å; Y562-F667 HydrophobicContact CD1-CG 3.82Å; Y562-F667 HydrophobicContact CD2-CB 3.78Å; Y562-F667 HydrophobicContact CD2-CD2 4.18Å; Y562-F667 AromaticContact CD2-CG 3.94Å; Y562-F667 HydrophobicContact CD2-CG 3.94Å; Y562-F667 HydrophobicContact CE1-CB 3.93Å; Y562-F667 HydrophobicContact CE1-CD1 4.09Å; Y562-F667 HydrophobicContact CE1-CG 4.17Å; Y562-F667 HydrophobicContact CE2-CB 3.65Å; Y562-F667 HydrophobicContact CE2-CG 4.29Å; Y562-F667 HydrophobicContact CG-CB 3.99Å; Y562-F667 AromaticContact CG-CD1 3.97Å; Y562-F667 HydrophobicContact CG-CD1 3.97Å; Y562-F667 AromaticContact CG-CD2 4Å; Y562-F667 HydrophobicContact CG-CD2 4Å; Y562-F667 AromaticContact CG-CG 3.69Å; Y562-F667 HydrophobicContact CG-CG 3.69Å; F633-F667 CarbonylContact C-O 3.5Å; F633-F667 HydrophobicContact CB-CD2 4.18Å; F633-F667 HydrophobicContact CD1-CD2 4.24Å; L665-F667 HydrophobicContact CB-CE1 3.87Å; L665-F667 HydrophobicContact CB-CZ 4.07Å; L665-F667 HydrophobicContact CD2-CE1 3.85Å; L665-F667 HydrophobicContact CD2-CZ 4.09Å; L665-F667 HydrophobicContact CG-CE1 4.43Å; L665-F667 PolarHBondContact O-N 3.34Å
668	L	97	Very high	92.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-85.7	-16.2	173.4	-88.3	164.7	0	0	0	113.5	L530 I533 A555 L558 N635 L638 N639 F662 L665 P666	L530-L668 HydrophobicContact CD2-CD2 3.99Å; I533-L668 HydrophobicContact CD1-CD2 4.45Å; A555-L668 HydrophobicContact CB-CD1 3.68Å; L558-L668 HydrophobicContact CD2-CD2 3.72Å; L558-L668 HydrophobicContact CD2-CG 4.23Å; N635-L668 HydrophobicContact CB-CD2 4.03Å; N635-L668 PolarHBondContact N-O 2.87Å; L638-L668 HydrophobicContact CD2-CB 4.19Å; L638-L668 HydrophobicContact CD2-CD1 4.27Å; L638-L668 HydrophobicContact CD2-CD2 4.01Å; L638-L668 HydrophobicContact CD2-CG 4.41Å; N639-L668 PolarHBondContact ND2-O 3.24Å; F662-L668 HydrophobicContact CD1-CD1 4.08Å; F662-L668 HydrophobicContact CE1-CD1 4.42Å; L665-L668 HydrophobicContact CB-CD1 4.17Å; L665-L668 HydrophobicContact CD1-CD1 4.08Å; L665-L668 WeakPolarHBondContact O-CB 3.42Å; L665-L668 PolarHBondContact O-N 2.93Å; P666-L668 PolarHBondContact O-N 3.27Å
669	L	96.7	Very high	93.7	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	11%	0.114	C	C	.	.	S	Bend	trans	-99.2	139.5	-168.3	-63.3	-177.9	0	0	0	112.4	N639 L642 F662 P666 K674 L677	N639-L669 WeakPolarHBondContact OD1-CA 3.49Å; L642-L669 HydrophobicContact CD1-CD2 3.78Å; F662-L669 HydrophobicContact CB-CD2 4.01Å; F662-L669 WeakPolarHBondContact O-CD1 3.29Å; P666-L669 PolarHBondContact O-N 2.88Å; L669-K674 HydrophobicContact CB-CG 3.95Å; L669-K674 HydrophobicContact CD1-CG 4.47Å; L669-K674 WeakPolarHBondContact O-CE 3.49Å; L669-L677 HydrophobicContact CD1-CD1 3.64Å
670	Q	95	Very high	94	Very high	45 Å²	45	21.7 Å²	21.7	21%	0.21	11%	0.109	C	C	.	.			trans	-66.5	148.9	166.6	-69	177.4	-17.5	0	0	110.3	V634 N639 S672 S673 K674	V634-Q670 HydrophobicContact CG1-CB 4.4Å; V634-Q670 HydrophobicContact CG1-CG 3.56Å; N639-Q670 HydrophobicContact CB-CG 4.35Å; N639-Q670 PolarHBondContact OD1-N 2.92Å; Q670-S672 WeakPolarHBondContact CB-OG 3.39Å; Q670-S672 PolarHBondContact O-N 2.63Å; Q670-S672 VanDerWaalsContact O-N 3.16Å; Q670-S673 WeakPolarHBondContact O-CA 3.34Å; Q670-S673 WeakPolarHBondContact O-CB 3.48Å; Q670-S673 PolarHBondContact O-N 3.27Å; Q670-K674 WeakPolarHBondContact O-CG 3.42Å; Q670-K674 PolarHBondContact O-N 3.29Å
671	T	94.1	Very high	94	Very high	27 Å²	27	21 Å²	21	17%	0.166	11%	0.106	C	C	.	.	H	α-helix	trans	-54.4	-34.9	177.3	-39.8	0	0	0	0	112.8	K674 S675 F937 E941 L944 V1003	T671-K674 WeakPolarHBondContact O-CB 3.47Å; T671-K674 PolarHBondContact O-N 2.81Å; T671-S675 PolarHBondContact O-N 3.47Å; T671-F937 HydrophobicContact CG2-CD1 4.3Å; T671-F937 HydrophobicContact CG2-CE1 4.21Å; T671-E941 HydrophobicContact CG2-CB 3.95Å; T671-E941 HydrophobicContact CG2-CG 4.28Å; T671-L944 HydrophobicContact CG2-CB 4.4Å; T671-V1003 HydrophobicContact CG2-CG1 3.64Å
672	S	92.4	Very high	93.9	Very high	14 Å²	14	21.2 Å²	21.2	10%	0.098	11%	0.107	C	C	.	.	H	α-helix	trans	-66	-36.6	174.3	42.6	0	0	0	0	113.5	Q670 S675 V676	Q670-S672 WeakPolarHBondContact CB-OG 3.39Å; Q670-S672 PolarHBondContact O-N 2.63Å; Q670-S672 VanDerWaalsContact O-N 3.16Å; S672-S675 PolarHBondContact O-OG 2.88Å; S672-V676 WeakPolarHBondContact O-CG2 3.47Å; S672-V676 PolarHBondContact O-N 3.39Å
673	S	93.9	Very high	93.7	Very high	20 Å²	20	22.8 Å²	22.8	14%	0.14	11%	0.113	C	C	.	.	H	α-helix	trans	-70.8	-36.8	172.9	-54.9	0	0	0	0	111.1	N639 Q670 L677	N639-S673 VanDerWaalsContact OD1-CB 3.22Å; N639-S673 WeakPolarHBondContact OD1-CB 3.26Å; N639-S673 PolarHBondContact OD1-OG 2.84Å; Q670-S673 WeakPolarHBondContact O-CA 3.34Å; Q670-S673 WeakPolarHBondContact O-CB 3.48Å; Q670-S673 PolarHBondContact O-N 3.27Å; S673-L677 VanDerWaalsContact O-CG 3.31Å; S673-L677 WeakPolarHBondContact O-CG 3.12Å; S673-L677 PolarHBondContact O-N 3.34Å
674	K	95.2	Very high	93.4	Very high	3 Å²	3	22.8 Å²	22.8	1%	0.013	11%	0.113	C	C	.	.	H	α-helix	trans	-65.5	-43.9	175.3	-62.3	175.5	178.7	-168.1	0	112.1	P666 L669 Q670 T671 L677 L678 L936 F937 E941	P666-K674 WeakPolarHBondContact O-CE 3.45Å; P666-K674 PolarHBondContact O-NZ 3.38Å; L669-K674 HydrophobicContact CB-CG 3.95Å; L669-K674 HydrophobicContact CD1-CG 4.47Å; L669-K674 WeakPolarHBondContact O-CE 3.49Å; Q670-K674 WeakPolarHBondContact O-CG 3.42Å; Q670-K674 PolarHBondContact O-N 3.29Å; T671-K674 WeakPolarHBondContact O-CB 3.47Å; T671-K674 PolarHBondContact O-N 2.81Å; K674-L677 PolarHBondContact O-N 2.97Å; K674-L678 WeakPolarHBondContact O-CB 3.28Å; K674-L678 PolarHBondContact O-N 3.44Å; K674-L936 WeakPolarHBondContact CD-O 3.46Å; K674-L936 WeakPolarHBondContact CE-O 3.4Å; K674-L936 PolarHBondContact NZ-O 3.19Å; K674-F937 HydrophobicContact CB-CD1 4.42Å; K674-F937 HydrophobicContact CB-CE1 3.68Å; K674-F937 HydrophobicContact CB-CE2 4.18Å; K674-F937 HydrophobicContact CB-CZ 3.55Å; K674-F937 HydrophobicContact CD-CD1 4.48Å; K674-E941 IonicContact NZ-OE1 2.74Å; K674-E941 PolarHBondContact NZ-OE1 3.23Å; K674-E941 IonicContact NZ-OE2 2.71Å; K674-E941 PolarHBondContact NZ-OE2 3.02Å
675	S	93.9	Very high	93.1	Very high	13 Å²	13	20.7 Å²	20.7	9%	0.091	10%	0.103	C	C	.	.	H	α-helix	trans	-63.5	-41	178	63.9	0	0	0	0	111.5	T671 S672 L677 L678 Y679	T671-S675 PolarHBondContact O-N 3.47Å; S672-S675 PolarHBondContact O-OG 2.88Å; S675-L677 PolarHBondContact O-N 2.59Å; S675-L678 PolarHBondContact O-N 2.62Å; S675-Y679 WeakPolarHBondContact O-CB 3.08Å; S675-Y679 PolarHBondContact O-N 3.43Å
676	V	93	Very high	92.8	Very high	57 Å²	57	21.1 Å²	21.1	35%	0.345	11%	0.105	S	C	.	.	H	α-helix	trans	-64	-39.8	173.7	173.9	0	0	0	0	112.3	P644 S672 Y679 Y680	P644-V676 HydrophobicContact CB-CG1 3.69Å; P644-V676 HydrophobicContact CG-CG1 3.93Å; S672-V676 WeakPolarHBondContact O-CG2 3.47Å; S672-V676 PolarHBondContact O-N 3.39Å; V676-Y679 PolarHBondContact O-N 2.83Å; V676-Y680 HydrophobicContact CG1-CD2 3.93Å; V676-Y680 HydrophobicContact CG1-CE2 3.66Å; V676-Y680 WeakPolarHBondContact O-CD2 3.31Å; V676-Y680 PolarHBondContact O-N 3.11Å
677	L	94	Very high	92.4	Very high	5 Å²	5	21 Å²	21	3%	0.026	10%	0.103	C	C	.	.	H	α-helix	trans	-66.8	-38	174.9	-73.2	166.4	0	0	0	112.5	P644 D647 M663 L669 S673 K674 S675 Y680 D681	P644-L677 HydrophobicContact CB-CD2 4.04Å; P644-L677 HydrophobicContact CB-CG 4.39Å; D647-L677 HydrophobicContact CB-CD2 4.26Å; M663-L677 HydrophobicContact CB-CD1 4.06Å; M663-L677 HydrophobicContact CG-CD1 4.17Å; M663-L677 HydrophobicContact SD-CB 4.35Å; M663-L677 HydrophobicContact SD-CD2 4.38Å; L669-L677 HydrophobicContact CD1-CD1 3.64Å; S673-L677 VanDerWaalsContact O-CG 3.31Å; S673-L677 WeakPolarHBondContact O-CG 3.12Å; S673-L677 PolarHBondContact O-N 3.34Å; K674-L677 PolarHBondContact O-N 2.97Å; S675-L677 PolarHBondContact O-N 2.59Å; L677-Y680 PolarHBondContact O-N 3.02Å; L677-D681 PolarHBondContact O-N 2.93Å; L677-D681 VanDerWaalsContact O-N 3.15Å
678	L	94	Very high	91.9	Very high	3 Å²	3	23 Å²	23	2%	0.016	11%	0.114	C	C	.	.	H	α-helix	trans	-65.9	-42.7	173.3	179.2	66.8	0	0	0	111.5	K674 S675 Y680 D681 N682 I809 S931 P932 L933 F937 L945	K674-L678 WeakPolarHBondContact O-CB 3.28Å; K674-L678 PolarHBondContact O-N 3.44Å; S675-L678 PolarHBondContact O-N 2.62Å; L678-Y680 VanDerWaalsContact C-N 3.35Å; L678-Y680 PolarHBondContact O-N 3.14Å; L678-D681 PolarHBondContact O-N 2.95Å; L678-D681 VanDerWaalsContact O-N 3.12Å; L678-N682 WeakPolarHBondContact O-CB 3.44Å; L678-N682 VanDerWaalsContact O-CG 3.29Å; L678-N682 PolarHBondContact O-N 2.83Å; L678-I809 HydrophobicContact CD2-CG2 3.9Å; L678-S931 WeakPolarHBondContact CD1-OG 3.45Å; L678-P932 HydrophobicContact CD1-CG 4.06Å; L678-L933 HydrophobicContact CD2-CD1 3.83Å; L678-F937 HydrophobicContact CB-CE2 4.12Å; L678-F937 HydrophobicContact CB-CZ 4.24Å; L678-F937 HydrophobicContact CD2-CE2 3.8Å; L678-F937 HydrophobicContact CD2-CZ 4.04Å; L678-F937 HydrophobicContact CG-CE2 4.45Å; L678-L945 HydrophobicContact CD2-CD2 3.74Å
679	Y	92.7	Very high	91.3	Very high	78 Å²	78	25.4 Å²	25.4	31%	0.306	13%	0.125	S	C	.	.	H	α-helix	trans	-56.1	-47.5	173.6	169.8	-90.6	0	0	0	111.2	S675 V676 D681 N682 R683 D812	S675-Y679 WeakPolarHBondContact O-CB 3.08Å; S675-Y679 PolarHBondContact O-N 3.43Å; V676-Y679 PolarHBondContact O-N 2.83Å; Y679-D681 VanDerWaalsContact C-N 3.29Å; Y679-D681 PolarHBondContact O-N 3.13Å; Y679-N682 PolarHBondContact O-N 3.21Å; Y679-R683 WeakPolarHBondContact O-CB 3.36Å; Y679-R683 PolarHBondContact O-N 3.05Å; Y679-D812 HydrophobicContact CD2-CB 4.03Å
680	Y	91.3	Very high	90.8	Very high	43 Å²	43	30 Å²	30	17%	0.169	14%	0.143	C	C	.	.	H	α-helix	trans	-59.7	-38.6	175.6	-82.7	-62.9	0	0	0	112.6	F160 P644 K645 V676 L677 L678 M684	F160-Y680 HydrophobicContact CD1-CD1 4.29Å; F160-Y680 HydrophobicContact CD1-CE1 4.24Å; F160-Y680 AromaticContact CE1-CD1 3.55Å; F160-Y680 HydrophobicContact CE1-CD1 3.55Å; F160-Y680 AromaticContact CE1-CE1 3.95Å; F160-Y680 HydrophobicContact CE1-CE1 3.95Å; F160-Y680 HydrophobicContact CE2-CD1 4.43Å; F160-Y680 AromaticContact CZ-CD1 3.62Å; F160-Y680 HydrophobicContact CZ-CD1 3.62Å; F160-Y680 HydrophobicContact CZ-CE1 4.2Å; P644-Y680 HydrophobicContact CB-CD2 4.17Å; P644-Y680 HydrophobicContact CB-CE2 3.93Å; K645-Y680 HydrophobicContact CB-CE1 4.21Å; K645-Y680 HydrophobicContact CB-CE2 4.3Å; K645-Y680 HydrophobicContact CG-CE1 4.32Å; V676-Y680 HydrophobicContact CG1-CD2 3.93Å; V676-Y680 HydrophobicContact CG1-CE2 3.66Å; V676-Y680 WeakPolarHBondContact O-CD2 3.31Å; V676-Y680 PolarHBondContact O-N 3.11Å; L677-Y680 PolarHBondContact O-N 3.02Å; L678-Y680 VanDerWaalsContact C-N 3.35Å; L678-Y680 PolarHBondContact O-N 3.14Å; Y680-M684 VanDerWaalsContact O-CB 3.31Å; Y680-M684 WeakPolarHBondContact O-CB 3.33Å; Y680-M684 VanDerWaalsContact O-CG 3.24Å; Y680-M684 WeakPolarHBondContact O-CG 3.41Å; Y680-M684 PolarHBondContact O-N 3.47Å
681	D	91.3	Very high	90.3	Very high	12 Å²	12	31.9 Å²	31.9	6%	0.064	15%	0.148	C	C	.	.	H	α-helix	trans	-72	-41.6	179.3	-162.3	49	0	0	0	112.9	Y648 L677 L678 Y679 M684 R685 P932	Y648-D681 HydrophobicContact CD2-CB 4.35Å; Y648-D681 HydrophobicContact CE2-CB 3.53Å; Y648-D681 WeakPolarHBondContact CE2-OD1 3.4Å; Y648-D681 VanDerWaalsContact CZ-OD1 3.27Å; Y648-D681 PolarHBondContact OH-OD1 2.9Å; L677-D681 PolarHBondContact O-N 2.93Å; L677-D681 VanDerWaalsContact O-N 3.15Å; L678-D681 PolarHBondContact O-N 2.95Å; L678-D681 VanDerWaalsContact O-N 3.12Å; Y679-D681 VanDerWaalsContact C-N 3.29Å; Y679-D681 PolarHBondContact O-N 3.13Å; D681-M684 PolarHBondContact O-N 2.77Å; D681-R685 VanDerWaalsContact CG-NH1 3.25Å; D681-R685 PolarHBondContact O-N 3.25Å; D681-R685 PolarHBondContact O-NH1 2.88Å; D681-R685 IonicContact OD1-NH1 3.6Å; D681-R685 IonicContact OD2-CZ 3.67Å; D681-R685 IonicContact OD2-NH1 3.49Å; D681-R685 PolarHBondContact OD2-NH1 3.46Å; D681-R685 IonicContact OD2-NH2 3.94Å; D681-R685 PolarHBondContact OD2-NH2 3.33Å; D681-P932 WeakPolarHBondContact OD2-CD 3.16Å; D681-P932 VanDerWaalsContact OD2-CG 3.28Å; D681-P932 WeakPolarHBondContact OD2-CG 3.4Å
682	N	91.5	Very high	89.8	Confident	4 Å²	4	32.5 Å²	32.5	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-65.8	-48.3	174.5	-66.3	-14.7	0	0	0	110.9	L678 Y679 M684 R685 M686 I809 Y810	L678-N682 WeakPolarHBondContact O-CB 3.44Å; L678-N682 VanDerWaalsContact O-CG 3.29Å; L678-N682 PolarHBondContact O-N 2.83Å; Y679-N682 PolarHBondContact O-N 3.21Å; N682-M684 PolarHBondContact O-N 2.71Å; N682-R685 PolarHBondContact O-N 2.71Å; N682-R685 VanDerWaalsContact O-N 3.08Å; N682-M686 WeakPolarHBondContact O-CG 3.44Å; N682-M686 PolarHBondContact O-N 3.48Å; N682-I809 PolarHBondContact ND2-O 3.06Å; N682-Y810 HydrophobicContact CB-CD2 3.84Å; N682-Y810 HydrophobicContact CB-CE2 3.78Å; N682-Y810 VanDerWaalsContact CG-CD2 3.47Å; N682-Y810 PolarHBondContact ND2-O 3.46Å
683	R	90.3	Very high	89.3	Confident	33 Å²	33	32.2 Å²	32.2	13%	0.125	16%	0.157	C	C	.	.	H	α-helix	trans	-57.4	-38.2	176.3	-174.6	62.6	174.1	164.7	-3.9	111.7	S163 Y679 L687	S163-R683 PolarHBondContact OG-NH2 3Å; Y679-R683 WeakPolarHBondContact O-CB 3.36Å; Y679-R683 PolarHBondContact O-N 3.05Å; R683-L687 VanDerWaalsContact O-CG 3.31Å; R683-L687 WeakPolarHBondContact O-CG 3.33Å; R683-L687 PolarHBondContact O-N 2.83Å
684	M	86.6	Confident	88.8	Confident	1 Å²	1	37 Å²	37	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-71.6	-36	175.4	-78.6	-60.5	-50.3	0	0	113.6	L159 F160 Y648 Y680 D681 N682 L687 D688	L159-M684 HydrophobicContact CD1-CE 4.17Å; F160-M684 HydrophobicContact CE1-CG 3.96Å; F160-M684 HydrophobicContact CE1-SD 3.78Å; F160-M684 HydrophobicContact CE2-SD 4.29Å; F160-M684 HydrophobicContact CZ-CG 3.61Å; F160-M684 HydrophobicContact CZ-SD 3.61Å; Y648-M684 HydrophobicContact CE1-CB 4.41Å; Y648-M684 HydrophobicContact CE1-CG 3.89Å; Y680-M684 VanDerWaalsContact O-CB 3.31Å; Y680-M684 WeakPolarHBondContact O-CB 3.33Å; Y680-M684 VanDerWaalsContact O-CG 3.24Å; Y680-M684 WeakPolarHBondContact O-CG 3.41Å; Y680-M684 PolarHBondContact O-N 3.47Å; D681-M684 PolarHBondContact O-N 2.77Å; N682-M684 PolarHBondContact O-N 2.71Å; M684-L687 PolarHBondContact O-N 2.76Å; M684-L687 HydrophobicContact SD-CD1 3.99Å; M684-D688 WeakPolarHBondContact O-CB 3.35Å; M684-D688 PolarHBondContact O-N 2.93Å
685	R	86.6	Confident	88.2	Confident	41 Å²	41	42.2 Å²	42.2	16%	0.155	21%	0.206	C	C	.	.	H	α-helix	trans	-63.1	-46.9	169.2	-77.7	-171.3	-160.8	67.7	8.2	111.7	D681 N682 L687 D688 E689 Y810 E930	D681-R685 VanDerWaalsContact CG-NH1 3.25Å; D681-R685 PolarHBondContact O-N 3.25Å; D681-R685 PolarHBondContact O-NH1 2.88Å; D681-R685 IonicContact OD1-NH1 3.6Å; D681-R685 IonicContact OD2-CZ 3.67Å; D681-R685 IonicContact OD2-NH1 3.49Å; D681-R685 PolarHBondContact OD2-NH1 3.46Å; D681-R685 IonicContact OD2-NH2 3.94Å; D681-R685 PolarHBondContact OD2-NH2 3.33Å; N682-R685 PolarHBondContact O-N 2.71Å; N682-R685 VanDerWaalsContact O-N 3.08Å; R685-L687 VanDerWaalsContact C-N 3.25Å; R685-L687 PolarHBondContact O-N 2.6Å; R685-D688 PolarHBondContact O-N 3.18Å; R685-D688 VanDerWaalsContact O-N 3.11Å; R685-E689 PolarHBondContact O-N 3.47Å; R685-Y810 WeakPolarHBondContact CB-OH 3.35Å; R685-E930 IonicContact NE-OE2 3.11Å; R685-E930 PolarHBondContact NH2-O 2.93Å
686	M	88.7	Confident	87.6	Confident	14 Å²	14	45.1 Å²	45.1	7%	0.069	22%	0.218	C	C	.	.	H	α-helix	trans	-55.4	-40.4	175.4	-66.1	172.3	-179.4	0	0	112.3	N682 R690 Q739 Y810 N811	N682-M686 WeakPolarHBondContact O-CG 3.44Å; N682-M686 PolarHBondContact O-N 3.48Å; M686-R690 VanDerWaalsContact O-CB 3.23Å; M686-R690 WeakPolarHBondContact O-CB 3.32Å; M686-R690 PolarHBondContact O-N 3.08Å; M686-Q739 HydrophobicContact CB-CB 4.48Å; M686-Q739 HydrophobicContact CG-CB 4.3Å; M686-Q739 HydrophobicContact SD-CB 3.78Å; M686-Q739 HydrophobicContact SD-CG 4.26Å; M686-Y810 HydrophobicContact CE-CD1 3.45Å; M686-Y810 VanDerWaalsContact CE-CD1 3.45Å; M686-Y810 HydrophobicContact CE-CE1 3.43Å; M686-Y810 VanDerWaalsContact CE-CE1 3.43Å; M686-Y810 HydrophobicContact CE-CG 4.27Å; M686-Y810 WeakPolarHBondContact CE-O 3.36Å; M686-Y810 HydrophobicContact CG-CE1 3.69Å; M686-Y810 HydrophobicContact SD-CE1 4.45Å; M686-N811 HydrophobicContact CE-CB 4.48Å; M686-N811 VanDerWaalsContact CE-OD1 3.23Å; M686-N811 WeakPolarHBondContact CE-OD1 3.39Å
687	L	86.3	Confident	87.1	Confident	19 Å²	19	44.1 Å²	44.1	10%	0.099	21%	0.212	C	C	.	.	H	α-helix	trans	-67.8	-44	175.7	-75.4	171.4	0	0	0	112.1	L159 R683 M684 R685 R690 R691	L159-L687 HydrophobicContact CB-CD1 4.46Å; R683-L687 VanDerWaalsContact O-CG 3.31Å; R683-L687 WeakPolarHBondContact O-CG 3.33Å; R683-L687 PolarHBondContact O-N 2.83Å; M684-L687 PolarHBondContact O-N 2.76Å; M684-L687 HydrophobicContact SD-CD1 3.99Å; R685-L687 VanDerWaalsContact C-N 3.25Å; R685-L687 PolarHBondContact O-N 2.6Å; L687-R690 PolarHBondContact O-N 3.06Å; L687-R691 WeakPolarHBondContact O-CB 3.27Å; L687-R691 WeakPolarHBondContact O-CD 3.33Å; L687-R691 WeakPolarHBondContact O-CG 3.35Å; L687-R691 PolarHBondContact O-N 2.76Å
688	D	85.4	Confident	86.5	Confident	51 Å²	51	52 Å²	52	27%	0.273	25%	0.246	S	C	.	.	H	α-helix	trans	-69.4	-33.1	179.8	-70.5	-31.8	0	0	0	112.1	R652 M684 R685 R691 G692	R652-D688 IonicContact CZ-OD2 2.91Å; R652-D688 IonicContact NH1-OD2 2.77Å; R652-D688 PolarHBondContact NH1-OD2 3.34Å; R652-D688 IonicContact NH2-OD2 3.45Å; R652-D688 PolarHBondContact NH2-OD2 3.47Å; M684-D688 WeakPolarHBondContact O-CB 3.35Å; M684-D688 PolarHBondContact O-N 2.93Å; R685-D688 PolarHBondContact O-N 3.18Å; R685-D688 VanDerWaalsContact O-N 3.11Å; D688-R691 WeakPolarHBondContact O-CB 3.35Å; D688-R691 PolarHBondContact O-N 3.1Å; D688-R691 IonicContact OD1-CZ 2.63Å; D688-R691 IonicContact OD1-NH1 3.31Å; D688-R691 PolarHBondContact OD1-NH1 3.01Å; D688-G692 PolarHBondContact O-N 3.28Å
689	E	84.9	Confident	86	Confident	50 Å²	50	57 Å²	57	23%	0.234	27%	0.272	C	S	.	.	H	α-helix	trans	-66.6	-48.3	167.8	-76.7	-70.1	169.7	0	0	112.1	R685 R691 G692 V693 K737 K738	R685-E689 PolarHBondContact O-N 3.47Å; E689-R691 PolarHBondContact O-N 3.4Å; E689-R691 VanDerWaalsContact O-N 3.16Å; E689-G692 WeakPolarHBondContact O-CA 3.28Å; E689-G692 PolarHBondContact O-N 3.05Å; E689-V693 WeakPolarHBondContact O-CG2 3.26Å; E689-V693 PolarHBondContact O-N 2.91Å; E689-K737 HydrophobicContact CG-CB 3.92Å; E689-K738 HydrophobicContact CB-CG 4.41Å
690	R	85.1	Confident	85.6	Confident	98 Å²	98	58.7 Å²	58.7	37%	0.37	28%	0.284	S	S	.	.	H	α-helix	trans	-56.2	-32.3	174.5	173.3	166.2	-177.3	-161.8	0.8	112.1	M686 L687 L694 P706	M686-R690 VanDerWaalsContact O-CB 3.23Å; M686-R690 WeakPolarHBondContact O-CB 3.32Å; M686-R690 PolarHBondContact O-N 3.08Å; L687-R690 PolarHBondContact O-N 3.06Å; R690-L694 VanDerWaalsContact O-CB 3.32Å; R690-L694 WeakPolarHBondContact O-CB 3.31Å; R690-L694 PolarHBondContact O-N 3.03Å; R690-L694 VanDerWaalsContact O-N 3.09Å; R690-P706 HydrophobicContact CB-CB 4.42Å; R690-P706 HydrophobicContact CG-CB 3.89Å
691	R	84.6	Confident	84.8	Confident	84 Å²	84	64 Å²	64	32%	0.317	32%	0.316	S	S	.	.	H	α-helix	trans	-74.5	-40.9	172.8	-72.3	156.9	139.8	-158.8	-13.4	112.7	L159 L687 D688 E689 L694 M695	L159-R691 VanDerWaalsContact CD1-CZ 3.47Å; L687-R691 WeakPolarHBondContact O-CB 3.27Å; L687-R691 WeakPolarHBondContact O-CD 3.33Å; L687-R691 WeakPolarHBondContact O-CG 3.35Å; L687-R691 PolarHBondContact O-N 2.76Å; D688-R691 WeakPolarHBondContact O-CB 3.35Å; D688-R691 PolarHBondContact O-N 3.1Å; D688-R691 IonicContact OD1-CZ 2.63Å; D688-R691 IonicContact OD1-NH1 3.31Å; D688-R691 PolarHBondContact OD1-NH1 3.01Å; E689-R691 PolarHBondContact O-N 3.4Å; E689-R691 VanDerWaalsContact O-N 3.16Å; R691-L694 PolarHBondContact O-N 3.19Å; R691-M695 VanDerWaalsContact O-CB 3.27Å; R691-M695 WeakPolarHBondContact O-CB 3.14Å; R691-M695 PolarHBondContact O-N 2.82Å
692	G	83.8	Confident	84.1	Confident	39 Å²	39	66.4 Å²	66.4	40%	0.402	33%	0.331	S	S	.	.	H	α-helix	trans	-55.8	-52.4	172.1	0	0	0	0	0	111.3	D688 E689 L694 M695 H696	D688-G692 PolarHBondContact O-N 3.28Å; E689-G692 WeakPolarHBondContact O-CA 3.28Å; E689-G692 PolarHBondContact O-N 3.05Å; G692-L694 PolarHBondContact O-N 3.13Å; G692-M695 PolarHBondContact O-N 2.75Å; G692-H696 VanDerWaalsContact O-CB 3.31Å; G692-H696 WeakPolarHBondContact O-CB 3.47Å; G692-H696 PolarHBondContact O-N 3.26Å
693	V	83.1	Confident	83.4	Confident	9 Å²	9	72.1 Å²	72.1	6%	0.055	37%	0.368	C	S	.	.	H	α-helix	trans	-58	-46.2	175.8	173.9	0	0	0	0	112.2	E689 H696 T697 E704 P706	E689-V693 WeakPolarHBondContact O-CG2 3.26Å; E689-V693 PolarHBondContact O-N 2.91Å; V693-H696 PolarHBondContact O-N 3.05Å; V693-T697 VanDerWaalsContact O-CB 3.31Å; V693-T697 WeakPolarHBondContact O-CB 3.48Å; V693-T697 PolarHBondContact O-N 3.01Å; V693-T697 PolarHBondContact O-OG1 3.11Å; V693-E704 HydrophobicContact CG1-CB 3.68Å; V693-P706 HydrophobicContact CG1-CB 4.27Å
694	L	82.7	Confident	82.9	Confident	119 Å²	119	74.4 Å²	74.4	62%	0.623	38%	0.38	S	S	*	.	H	α-helix	trans	-65.6	-40	179.4	-178.9	61.8	0	0	0	112.2	R690 R691 G692 F698	R690-L694 VanDerWaalsContact O-CB 3.32Å; R690-L694 WeakPolarHBondContact O-CB 3.31Å; R690-L694 PolarHBondContact O-N 3.03Å; R690-L694 VanDerWaalsContact O-N 3.09Å; R691-L694 PolarHBondContact O-N 3.19Å; G692-L694 PolarHBondContact O-N 3.13Å; L694-F698 WeakPolarHBondContact O-CB 3.43Å; L694-F698 PolarHBondContact O-N 3.3Å
695	M	82.5	Confident	82.6	Confident	113 Å²	113	79 Å²	79	56%	0.557	40%	0.403	S	S	*	.	H	α-helix	trans	-68.5	-40.3	176.4	-170.8	67.7	170.9	0	0	111.3	R691 G692 F698 L699	R691-M695 VanDerWaalsContact O-CB 3.27Å; R691-M695 WeakPolarHBondContact O-CB 3.14Å; R691-M695 PolarHBondContact O-N 2.82Å; G692-M695 PolarHBondContact O-N 2.75Å; M695-F698 PolarHBondContact O-N 3.35Å; M695-L699 HydrophobicContact CE-CD1 4.15Å; M695-L699 HydrophobicContact CG-CD1 4.04Å; M695-L699 WeakPolarHBondContact O-CB 3.43Å; M695-L699 VanDerWaalsContact O-CG 3.23Å; M695-L699 WeakPolarHBondContact O-CG 3.32Å; M695-L699 PolarHBondContact O-N 3.19Å
696	H	80.6	Confident	82.6	Confident	75 Å²	75	78.9 Å²	78.9	35%	0.347	41%	0.407	S	S	.	.	H	α-helix	trans	-64.6	-48	176	-175.6	-125.9	0	0	0	111.4	G692 V693 F698 L699 M700 E704	G692-H696 VanDerWaalsContact O-CB 3.31Å; G692-H696 WeakPolarHBondContact O-CB 3.47Å; G692-H696 PolarHBondContact O-N 3.26Å; V693-H696 PolarHBondContact O-N 3.05Å; H696-F698 VanDerWaalsContact C-N 3.3Å; H696-F698 PolarHBondContact O-N 3.27Å; H696-L699 PolarHBondContact O-N 2.85Å; H696-L699 VanDerWaalsContact O-N 3.08Å; H696-M700 WeakPolarHBondContact NE2-CG 3.46Å; H696-M700 PolarHBondContact O-N 3.46Å; H696-E704 IonicContact CE1-OE1 2.81Å; H696-E704 PolarHBondContact CE1-OE1 2.6Å; H696-E704 IonicContact CE1-OE2 3.81Å; H696-E704 IonicContact CG-OE2 2.69Å; H696-E704 IonicContact ND1-OE1 3.28Å; H696-E704 PolarHBondContact ND1-OE1 3.22Å; H696-E704 IonicContact ND1-OE2 2.67Å; H696-E704 PolarHBondContact ND1-OE2 3.27Å
697	T	83.2	Confident	82.5	Confident	35 Å²	35	80.9 Å²	80.9	22%	0.215	42%	0.416	C	S	.	.	H	α-helix	trans	-54.2	-45	172.7	-61.1	0	0	0	0	111.4	V693 L699 D701 T702 E704	V693-T697 VanDerWaalsContact O-CB 3.31Å; V693-T697 WeakPolarHBondContact O-CB 3.48Å; V693-T697 PolarHBondContact O-N 3.01Å; V693-T697 PolarHBondContact O-OG1 3.11Å; T697-L699 VanDerWaalsContact C-N 3.35Å; T697-L699 PolarHBondContact O-N 3.02Å; T697-D701 WeakPolarHBondContact O-CA 3.28Å; T697-D701 PolarHBondContact O-N 3.37Å; T697-T702 WeakPolarHBondContact CA-O 3.4Å; T697-T702 PolarHBondContact OG1-O 3.36Å; T697-E704 PolarHBondContact OG1-N 3.45Å
698	F	80.7	Confident	82.8	Confident	172 Å²	172	80.3 Å²	80.3	75%	0.754	41%	0.413	S	S	*	.	H	α-helix	trans	-69.5	-26.9	178.8	-176.2	-94.8	0	0	0	114.1	L694 M695 H696	L694-F698 WeakPolarHBondContact O-CB 3.43Å; L694-F698 PolarHBondContact O-N 3.3Å; M695-F698 PolarHBondContact O-N 3.35Å; H696-F698 VanDerWaalsContact C-N 3.3Å; H696-F698 PolarHBondContact O-N 3.27Å
699	L	84.8	Confident	83	Confident	106 Å²	106	81.3 Å²	81.3	56%	0.555	42%	0.415	S	S	*	.	H	α-helix	trans	-90.5	-33	-179	-72.9	173.9	0	0	0	113.8	M695 H696 T697	M695-L699 HydrophobicContact CE-CD1 4.15Å; M695-L699 HydrophobicContact CG-CD1 4.04Å; M695-L699 WeakPolarHBondContact O-CB 3.43Å; M695-L699 VanDerWaalsContact O-CG 3.23Å; M695-L699 WeakPolarHBondContact O-CG 3.32Å; M695-L699 PolarHBondContact O-N 3.19Å; H696-L699 PolarHBondContact O-N 2.85Å; H696-L699 VanDerWaalsContact O-N 3.08Å; T697-L699 VanDerWaalsContact C-N 3.35Å; T697-L699 PolarHBondContact O-N 3.02Å
700	M	82.9	Confident	83.4	Confident	114 Å²	114	79 Å²	79	56%	0.562	40%	0.403	S	S	*	.	H	α-helix	trans	-106.8	-8.8	-174.8	-63.2	-61.1	122.8	0	0	113.9	H696 T702	H696-M700 WeakPolarHBondContact NE2-CG 3.46Å; H696-M700 PolarHBondContact O-N 3.46Å; M700-T702 HydrophobicContact CB-CG2 4.39Å; M700-T702 WeakPolarHBondContact CB-OG1 3.01Å; M700-T702 PolarHBondContact O-N 2.85Å
701	D	75.3	Confident	83.8	Confident	155 Å²	155	80.6 Å²	80.6	83%	0.829	41%	0.41	S	S	*	.			trans	59.8	20.1	-175.6	-142.9	16.4	0	0	0	113.6	T697	T697-D701 WeakPolarHBondContact O-CA 3.28Å; T697-D701 PolarHBondContact O-N 3.37Å
702	T	76.2	Confident	84.3	Confident	63 Å²	63	76.6 Å²	76.6	39%	0.387	40%	0.395	S	S	.	.			trans	-100	112.4	176.6	49.6	0	0	0	0	110.1	T697 M700 E704	T697-T702 WeakPolarHBondContact CA-O 3.4Å; T697-T702 PolarHBondContact OG1-O 3.36Å; M700-T702 HydrophobicContact CB-CG2 4.39Å; M700-T702 WeakPolarHBondContact CB-OG1 3.01Å; M700-T702 PolarHBondContact O-N 2.85Å; T702-E704 PolarHBondContact O-N 3.32Å; T702-E704 VanDerWaalsContact O-N 3.11Å
703	P	77	Confident	84.7	Confident	123 Å²	123	77.8 Å²	77.8	80%	0.799	39%	0.389	S	S	*	.			trans	-74.8	102.6	-176	29.1	-34.4	0	0	0	111.9
704	E	79.3	Confident	85.1	Confident	81 Å²	81	80.5 Å²	80.5	38%	0.379	40%	0.399	S	S	.	.			trans	-98	149.1	176.6	-76.1	177.1	169.5	0	0	112.3	V693 H696 T697 T702 P706	V693-E704 HydrophobicContact CG1-CB 3.68Å; H696-E704 IonicContact CE1-OE1 2.81Å; H696-E704 PolarHBondContact CE1-OE1 2.6Å; H696-E704 IonicContact CE1-OE2 3.81Å; H696-E704 IonicContact CG-OE2 2.69Å; H696-E704 IonicContact ND1-OE1 3.28Å; H696-E704 PolarHBondContact ND1-OE1 3.22Å; H696-E704 IonicContact ND1-OE2 2.67Å; H696-E704 PolarHBondContact ND1-OE2 3.27Å; T697-E704 PolarHBondContact OG1-N 3.45Å; T702-E704 PolarHBondContact O-N 3.32Å; T702-E704 VanDerWaalsContact O-N 3.11Å; E704-P706 WeakPolarHBondContact O-CD 3.47Å
705	M	81.7	Confident	85.5	Confident	97 Å²	97	81.3 Å²	81.3	48%	0.478	40%	0.404	S	S	.	.			trans	-80.8	125.2	-179.3	-163.8	162.5	-69.6	0	0	111.2	F707 K709 K738	M705-F707 VanDerWaalsContact C-N 3.26Å; M705-F707 PolarHBondContact O-N 2.91Å; M705-K709 HydrophobicContact CE-CD 4.27Å; M705-K709 HydrophobicContact SD-CB 3.54Å; M705-K709 VanDerWaalsContact SD-CB 3.54Å; M705-K709 HydrophobicContact SD-CD 3.71Å; M705-K709 HydrophobicContact SD-CG 4.26Å; M705-K738 PolarHBondContact O-NZ 3.42Å
706	P	84.8	Confident	85.9	Confident	39 Å²	39	81.4 Å²	81.4	25%	0.253	40%	0.398	S	S	.	.	S	Bend	trans	-80.9	-2.4	-179.4	31.2	-35	0	0	0	114.3	R690 V693 E704	R690-P706 HydrophobicContact CB-CB 4.42Å; R690-P706 HydrophobicContact CG-CB 3.89Å; V693-P706 HydrophobicContact CG1-CB 4.27Å; E704-P706 WeakPolarHBondContact O-CD 3.47Å
707	F	87.6	Confident	86.5	Confident	56 Å²	56	78.2 Å²	78.2	25%	0.246	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	153.2	177.2	-60.2	-77.7	0	0	0	109.3	M705 K709 Q739 L741	M705-F707 VanDerWaalsContact C-N 3.26Å; M705-F707 PolarHBondContact O-N 2.91Å; F707-K709 PolarHBondContact O-N 3.16Å; F707-Q739 CarbonylContact C-O 3.52Å; F707-Q739 WeakPolarHBondContact CA-O 3.3Å; F707-Q739 HydrophobicContact CD1-CB 4.06Å; F707-Q739 HydrophobicContact CD1-CG 4.34Å; F707-Q739 HydrophobicContact CE1-CB 4.5Å; F707-L741 HydrophobicContact CB-CB 4.22Å
708	F	91.7	Very high	86.9	Confident	8 Å²	8	76.6 Å²	76.6	4%	0.035	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	99.4	169.2	-169.7	-137.6	0	0	0	109.8	L710 L725 A728 D735 F736 K738 Q739 L740 L741 L807	F708-L710 HydrophobicContact CD1-CD1 3.75Å; F708-L710 HydrophobicContact CD2-CD1 4.43Å; F708-L710 HydrophobicContact CE1-CD1 3.42Å; F708-L710 VanDerWaalsContact CE1-CD1 3.42Å; F708-L710 HydrophobicContact CE2-CD1 4.14Å; F708-L710 HydrophobicContact CG-CD1 4.25Å; F708-L710 HydrophobicContact CZ-CD1 3.63Å; F708-L725 HydrophobicContact CE1-CD2 3.65Å; F708-L725 HydrophobicContact CZ-CD2 3.77Å; F708-A728 HydrophobicContact CE2-CB 3.47Å; F708-A728 VanDerWaalsContact CE2-CB 3.47Å; F708-A728 HydrophobicContact CZ-CB 3.59Å; F708-D735 WeakPolarHBondContact CB-O 3.43Å; F708-D735 HydrophobicContact CD2-CB 3.72Å; F708-D735 HydrophobicContact CE2-CB 3.99Å; F708-D735 WeakPolarHBondContact CG-O 3.39Å; F708-F736 HydrophobicContact CD1-CD1 4.29Å; F708-F736 AromaticContact CE1-CD1 3.55Å; F708-F736 HydrophobicContact CE1-CD1 3.55Å; F708-F736 AromaticContact CE1-CE1 3.84Å; F708-F736 HydrophobicContact CE1-CE1 3.84Å; F708-F736 AromaticContact CZ-CD1 3.72Å; F708-F736 HydrophobicContact CZ-CD1 3.72Å; F708-F736 AromaticContact CZ-CE1 3.62Å; F708-F736 HydrophobicContact CZ-CE1 3.62Å; F708-K738 HydrophobicContact CB-CB 4.15Å; F708-Q739 PolarHBondContact N-O 3.14Å; F708-L740 HydrophobicContact CD1-CD1 4.09Å; F708-L740 CarbonylContact O-C 3.54Å; F708-L740 WeakPolarHBondContact O-CA 3.33Å; F708-L741 PolarHBondContact O-N 3.44Å; F708-L807 HydrophobicContact CD1-CD2 4.37Å; F708-L807 HydrophobicContact CE1-CD1 4.37Å
709	K	91.3	Very high	87.5	Confident	72 Å²	72	72.5 Å²	72.5	31%	0.313	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	116.5	-170.9	-173.2	173.7	-177.7	174.1	0	112.3	M705 F707 L741 E743	M705-K709 HydrophobicContact CE-CD 4.27Å; M705-K709 HydrophobicContact SD-CB 3.54Å; M705-K709 VanDerWaalsContact SD-CB 3.54Å; M705-K709 HydrophobicContact SD-CD 3.71Å; M705-K709 HydrophobicContact SD-CG 4.26Å; F707-K709 PolarHBondContact O-N 3.16Å; K709-L741 VanDerWaalsContact CA-O 3.32Å; K709-L741 WeakPolarHBondContact CA-O 3.4Å; K709-L741 HydrophobicContact CD-CD2 4.2Å; K709-L741 HydrophobicContact CG-CD2 4.28Å; K709-E743 WeakPolarHBondContact CE-OE2 3.41Å; K709-E743 IonicContact NZ-OE1 2.76Å; K709-E743 IonicContact NZ-OE2 3.73Å; K709-E743 PolarHBondContact NZ-OE2 2.97Å
710	L	92.8	Very high	88	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	113	172.1	-90.3	60.2	0	0	0	109.2	F708 V712 I724 L740 L741 I742 E743 F759	F708-L710 HydrophobicContact CD1-CD1 3.75Å; F708-L710 HydrophobicContact CD2-CD1 4.43Å; F708-L710 HydrophobicContact CE1-CD1 3.42Å; F708-L710 VanDerWaalsContact CE1-CD1 3.42Å; F708-L710 HydrophobicContact CE2-CD1 4.14Å; F708-L710 HydrophobicContact CG-CD1 4.25Å; F708-L710 HydrophobicContact CZ-CD1 3.63Å; L710-V712 HydrophobicContact CB-CG1 4.41Å; L710-I724 HydrophobicContact CD1-CG2 3.88Å; L710-I724 HydrophobicContact CG-CG2 3.9Å; L710-L740 HydrophobicContact CD1-CD1 4.1Å; L710-L740 HydrophobicContact CD2-CD1 4.42Å; L710-L741 PolarHBondContact N-O 3Å; L710-I742 HydrophobicContact CB-CD1 3.73Å; L710-I742 HydrophobicContact CD2-CD1 4.27Å; L710-E743 PolarHBondContact O-N 3.32Å; L710-F759 HydrophobicContact CD2-CE1 4.05Å; L710-F759 HydrophobicContact CD2-CE2 4.33Å; L710-F759 HydrophobicContact CD2-CZ 3.68Å
711	R	93.1	Very high	88.5	Confident	133 Å²	133	62.8 Å²	62.8	50%	0.502	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	108.9	171.1	-177.6	-176.9	177.5	137.6	-13.4	109.7	I724 E743 D745	R711-I724 VanDerWaalsContact O-CD1 3.27Å; R711-I724 WeakPolarHBondContact O-CD1 3.5Å; R711-E743 CarbonylContact C-O 3.58Å; R711-E743 VanDerWaalsContact CA-O 3.25Å; R711-E743 WeakPolarHBondContact CA-O 3.37Å; R711-E743 HydrophobicContact CB-CB 4.34Å; R711-E743 WeakPolarHBondContact CD-OE1 3.39Å; R711-E743 HydrophobicContact CG-CB 4.33Å; R711-E743 HydrophobicContact CG-CG 4.22Å; R711-E743 IonicContact CZ-OE1 3.72Å; R711-E743 VanDerWaalsContact CZ-OE1 3.27Å; R711-E743 IonicContact NE-OE1 2.81Å; R711-E743 PolarHBondContact NE-OE1 2.87Å; R711-E743 IonicContact NH1-OE1 3.07Å; R711-E743 PolarHBondContact NH1-OE1 2.8Å; R711-D745 HydrophobicContact CG-CB 4.45Å; R711-D745 IonicContact CZ-OD1 2.73Å; R711-D745 IonicContact NE-OD1 2.75Å; R711-D745 PolarHBondContact NE-OD1 3.25Å; R711-D745 IonicContact NH2-OD1 3.52Å; R711-D745 PolarHBondContact NH2-OD1 2.74Å
712	V	94.5	Very high	89.3	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	146.6	-170.3	-60.2	0	0	0	0	112.1	L710 I717 D720 I724 E743 F744 D745 F759	L710-V712 HydrophobicContact CB-CG1 4.41Å; V712-I717 HydrophobicContact CG2-CG1 4.31Å; V712-D720 HydrophobicContact CB-CB 4.04Å; V712-D720 HydrophobicContact CG1-CB 3.89Å; V712-I724 HydrophobicContact CG1-CD1 4.01Å; V712-E743 PolarHBondContact N-O 2.96Å; V712-F744 HydrophobicContact CG2-CD1 3.9Å; V712-F744 HydrophobicContact CG2-CE1 3.88Å; V712-F744 CarbonylContact O-C 3.56Å; V712-F744 WeakPolarHBondContact O-CA 3.37Å; V712-D745 PolarHBondContact O-N 3.46Å; V712-F759 HydrophobicContact CG1-CE2 4.24Å; V712-F759 HydrophobicContact CG2-CD2 3.94Å; V712-F759 HydrophobicContact CG2-CE2 4.19Å
713	H	93.8	Very high	90.1	Very high	63 Å²	63	58.5 Å²	58.5	29%	0.292	28%	0.282	S	S	.	.			trans	-98.7	126.4	174.3	-173.5	-74.4	0	0	0	110.4	D715 R716 I717 D720 D745	H713-D715 VanDerWaalsContact C-N 3.33Å; H713-D715 IonicContact CE1-OD2 3.51Å; H713-D715 PolarHBondContact CE1-OD2 3.32Å; H713-D715 PolarHBondContact ND1-N 3.06Å; H713-D715 PolarHBondContact O-N 3.24Å; H713-D715 VanDerWaalsContact O-N 3.14Å; H713-R716 HydrophobicContact CB-CG 3.9Å; H713-R716 CarbonylContact O-C 3.6Å; H713-R716 PolarHBondContact O-N 3.01Å; H713-I717 PolarHBondContact O-N 2.9Å; H713-I717 VanDerWaalsContact O-N 3.14Å; H713-D720 PolarHBondContact N-OD2 3.28Å; H713-D745 HydrophobicContact CB-CB 4.19Å
714	R	90.6	Very high	90.8	Very high	66 Å²	66	54.5 Å²	54.5	25%	0.249	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-47.3	-49.1	-170.9	-67.7	-176.1	-178.3	-104	-5.1	113.9	R716 I717 F744 E747 E758	R714-R716 PolarHBondContact O-N 3.16Å; R714-R716 VanDerWaalsContact O-N 3.1Å; R714-I717 PolarHBondContact O-N 2.76Å; R714-F744 HydrophobicContact CG-CD1 3.7Å; R714-F744 HydrophobicContact CG-CE1 4Å; R714-F744 HydrophobicContact CG-CG 4.37Å; R714-E747 VanDerWaalsContact CD-OE1 3.31Å; R714-E747 WeakPolarHBondContact CD-OE1 3.49Å; R714-E747 IonicContact CZ-OE1 3.84Å; R714-E747 IonicContact CZ-OE2 2.81Å; R714-E747 VanDerWaalsContact NE-CD 3.32Å; R714-E747 IonicContact NE-OE1 3.34Å; R714-E747 PolarHBondContact NE-OE1 3.45Å; R714-E747 IonicContact NE-OE2 2.65Å; R714-E747 PolarHBondContact NE-OE2 2.85Å; R714-E747 VanDerWaalsContact NE-OE2 3.13Å; R714-E747 IonicContact NH2-OE1 2.85Å; R714-E747 IonicContact NH2-OE2 3.65Å; R714-E747 PolarHBondContact NH2-OE2 2.91Å; R714-E758 IonicContact CZ-OE1 3.5Å; R714-E758 IonicContact CZ-OE2 2.84Å; R714-E758 IonicContact NH1-OE1 2.71Å; R714-E758 PolarHBondContact NH1-OE1 3.03Å; R714-E758 IonicContact NH1-OE2 3.36Å; R714-E758 PolarHBondContact NH1-OE2 3.31Å; R714-E758 IonicContact NH2-OE1 3.52Å; R714-E758 IonicContact NH2-OE2 2.7Å; R714-E758 PolarHBondContact NH2-OE2 2.93Å
715	D	90.2	Very high	91.3	Very high	137 Å²	137	51.1 Å²	51.1	73%	0.733	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-62.8	-17.6	-177.1	-61.2	-19.4	0	0	0	115.5	H713	H713-D715 VanDerWaalsContact C-N 3.33Å; H713-D715 IonicContact CE1-OD2 3.51Å; H713-D715 PolarHBondContact CE1-OD2 3.32Å; H713-D715 PolarHBondContact ND1-N 3.06Å; H713-D715 PolarHBondContact O-N 3.24Å; H713-D715 VanDerWaalsContact O-N 3.14Å
716	R	91.7	Very high	91.4	Very high	115 Å²	115	49.8 Å²	49.8	43%	0.434	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-136.1	31.6	-175.4	62	171.2	-150.5	-151.6	4.1	111.8	H713 R714 V718 E719 D720	H713-R716 HydrophobicContact CB-CG 3.9Å; H713-R716 CarbonylContact O-C 3.6Å; H713-R716 PolarHBondContact O-N 3.01Å; R714-R716 PolarHBondContact O-N 3.16Å; R714-R716 VanDerWaalsContact O-N 3.1Å; R716-V718 PolarHBondContact O-N 2.92Å; R716-V718 VanDerWaalsContact O-N 3.13Å; R716-E719 WeakPolarHBondContact CA-OE2 3.49Å; R716-E719 HydrophobicContact CB-CB 4.45Å; R716-E719 PolarHBondContact O-N 3.11Å; R716-E719 VanDerWaalsContact O-N 3.08Å; R716-D720 IonicContact CZ-OD1 2.74Å; R716-D720 IonicContact CZ-OD2 3.67Å; R716-D720 IonicContact NE-OD1 3.72Å; R716-D720 PolarHBondContact NE-OD1 2.94Å; R716-D720 IonicContact NE-OD2 3.88Å; R716-D720 PolarHBondContact NE-OD2 3.35Å; R716-D720 IonicContact NH2-OD1 3.13Å; R716-D720 PolarHBondContact NH2-OD1 3.2Å; R716-D720 IonicContact NH2-OD2 3.22Å; R716-D720 PolarHBondContact NH2-OD2 2.67Å; R716-D720 VanDerWaalsContact NH2-OD2 3.11Å; R716-D720 PolarHBondContact O-N 3.28Å
717	I	93.4	Very high	91.6	Very high	7 Å²	7	51.5 Å²	51.5	4%	0.036	24%	0.237	C	C	.	.	H	α-helix	trans	-53.5	-34	-173.6	-168.2	172.3	0	0	0	113.5	V712 H713 R714 A721 F744 F759 L762 I763	V712-I717 HydrophobicContact CG2-CG1 4.31Å; H713-I717 PolarHBondContact O-N 2.9Å; H713-I717 VanDerWaalsContact O-N 3.14Å; R714-I717 PolarHBondContact O-N 2.76Å; I717-A721 WeakPolarHBondContact O-CB 3.45Å; I717-A721 PolarHBondContact O-N 3.08Å; I717-A721 VanDerWaalsContact O-N 3.08Å; I717-F744 HydrophobicContact CD1-CE1 4.45Å; I717-F759 HydrophobicContact CD1-CD2 3.71Å; I717-F759 HydrophobicContact CD1-CE2 4.14Å; I717-F759 HydrophobicContact CG1-CD2 3.94Å; I717-F759 HydrophobicContact CG1-CE2 3.89Å; I717-L762 HydrophobicContact CD1-CB 3.54Å; I717-L762 HydrophobicContact CD1-CD1 4.33Å; I717-I763 HydrophobicContact CD1-CB 4.07Å; I717-I763 HydrophobicContact CG1-CB 4.27Å; I717-I763 HydrophobicContact CG1-CD1 4.34Å; I717-I763 HydrophobicContact CG1-CG1 4.49Å
718	V	92.3	Very high	91.5	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-73.5	-48.6	177.5	-175	0	0	0	0	110.9	R716 D720 A721 L722 I763 R766 I767 Y772 L800	R716-V718 PolarHBondContact O-N 2.92Å; R716-V718 VanDerWaalsContact O-N 3.13Å; V718-D720 PolarHBondContact O-N 2.93Å; V718-A721 PolarHBondContact O-N 3.33Å; V718-L722 HydrophobicContact CG1-CD1 4.18Å; V718-L722 HydrophobicContact CG1-CG 4.46Å; V718-L722 WeakPolarHBondContact O-CB 3.49Å; V718-L722 WeakPolarHBondContact O-CG 3.22Å; V718-L722 PolarHBondContact O-N 3.26Å; V718-I763 HydrophobicContact CG2-CG1 4.15Å; V718-R766 HydrophobicContact CG2-CB 4.08Å; V718-R766 HydrophobicContact CG2-CG 3.67Å; V718-I767 HydrophobicContact CG1-CD1 3.91Å; V718-I767 HydrophobicContact CG1-CG1 4.22Å; V718-I767 HydrophobicContact CG2-CD1 3.9Å; V718-I767 HydrophobicContact CG2-CG1 3.76Å; V718-Y772 WeakPolarHBondContact CG1-OH 3.23Å; V718-L800 HydrophobicContact CG1-CD2 3.83Å
719	E	92.8	Very high	91.1	Very high	85 Å²	85	51.3 Å²	51.3	40%	0.397	24%	0.238	S	C	.	.	H	α-helix	trans	-62.6	-39.7	179.3	-65.2	110.3	128.4	0	0	112.6	K9 R716 L723	K9-E719 IonicContact NZ-OE1 2.73Å; K9-E719 PolarHBondContact NZ-OE1 3.28Å; R716-E719 WeakPolarHBondContact CA-OE2 3.49Å; R716-E719 HydrophobicContact CB-CB 4.45Å; R716-E719 PolarHBondContact O-N 3.11Å; R716-E719 VanDerWaalsContact O-N 3.08Å; E719-L723 PolarHBondContact O-N 3.45Å
720	D	95	Very high	90.6	Very high	17 Å²	17	54.8 Å²	54.8	9%	0.091	26%	0.257	C	S	.	.	H	α-helix	trans	-69.8	-42	174.9	-77.4	-22.5	0	0	0	112.2	V712 H713 R716 V718 L723 I724	V712-D720 HydrophobicContact CB-CB 4.04Å; V712-D720 HydrophobicContact CG1-CB 3.89Å; H713-D720 PolarHBondContact N-OD2 3.28Å; R716-D720 IonicContact CZ-OD1 2.74Å; R716-D720 IonicContact CZ-OD2 3.67Å; R716-D720 IonicContact NE-OD1 3.72Å; R716-D720 PolarHBondContact NE-OD1 2.94Å; R716-D720 IonicContact NE-OD2 3.88Å; R716-D720 PolarHBondContact NE-OD2 3.35Å; R716-D720 IonicContact NH2-OD1 3.13Å; R716-D720 PolarHBondContact NH2-OD1 3.2Å; R716-D720 IonicContact NH2-OD2 3.22Å; R716-D720 PolarHBondContact NH2-OD2 2.67Å; R716-D720 VanDerWaalsContact NH2-OD2 3.11Å; R716-D720 PolarHBondContact O-N 3.28Å; V718-D720 PolarHBondContact O-N 2.93Å; D720-L723 PolarHBondContact O-N 2.63Å; D720-I724 WeakPolarHBondContact O-CD1 3.19Å; D720-I724 VanDerWaalsContact O-CG1 3.29Å; D720-I724 WeakPolarHBondContact O-CG1 3.2Å; D720-I724 PolarHBondContact O-N 2.99Å
721	A	93.7	Very high	90.1	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.2	-42	178.4	0	0	0	0	0	112.2	I717 V718 L723 I724 L725 F759 I763 L800	I717-A721 WeakPolarHBondContact O-CB 3.45Å; I717-A721 PolarHBondContact O-N 3.08Å; I717-A721 VanDerWaalsContact O-N 3.08Å; V718-A721 PolarHBondContact O-N 3.33Å; A721-L723 VanDerWaalsContact C-N 3.35Å; A721-L723 PolarHBondContact O-N 2.64Å; A721-I724 PolarHBondContact O-N 3.44Å; A721-L725 HydrophobicContact CB-CD1 4.49Å; A721-L725 VanDerWaalsContact O-CB 3.29Å; A721-L725 WeakPolarHBondContact O-CB 3.42Å; A721-L725 WeakPolarHBondContact O-CD1 3.46Å; A721-L725 WeakPolarHBondContact O-CG 3.27Å; A721-L725 PolarHBondContact O-N 3.03Å; A721-F759 HydrophobicContact CB-CE2 4.35Å; A721-F759 HydrophobicContact CB-CZ 4.23Å; A721-I763 HydrophobicContact CB-CD1 3.48Å; A721-I763 VanDerWaalsContact CB-CD1 3.48Å; A721-L800 HydrophobicContact CB-CD1 4.02Å
722	L	92.2	Very high	89.6	Confident	33 Å²	33	58.6 Å²	58.6	17%	0.173	28%	0.282	C	S	.	.	H	α-helix	trans	-53	-53	172.3	-78.2	168.7	0	0	0	111	V718 I724 L725 E726 R796 E797 L800	V718-L722 HydrophobicContact CG1-CD1 4.18Å; V718-L722 HydrophobicContact CG1-CG 4.46Å; V718-L722 WeakPolarHBondContact O-CB 3.49Å; V718-L722 WeakPolarHBondContact O-CG 3.22Å; V718-L722 PolarHBondContact O-N 3.26Å; L722-I724 PolarHBondContact O-N 3.1Å; L722-L725 PolarHBondContact O-N 3.38Å; L722-E726 VanDerWaalsContact O-CB 3.28Å; L722-E726 WeakPolarHBondContact O-CB 3.31Å; L722-E726 PolarHBondContact O-N 3.32Å; L722-R796 HydrophobicContact CD2-CB 4.12Å; L722-E797 HydrophobicContact CD1-CG 4.22Å; L722-E797 HydrophobicContact CD2-CG 4.44Å; L722-L800 HydrophobicContact CD2-CB 3.86Å; L722-L800 HydrophobicContact CD2-CD2 3.98Å; L722-L800 HydrophobicContact CD2-CG 4.43Å; L722-L800 HydrophobicContact CG-CD2 4.03Å
723	L	92.7	Very high	88.9	Confident	95 Å²	95	59.8 Å²	59.8	50%	0.497	29%	0.29	S	S	.	.	H	α-helix	trans	-62.2	-46	-176.7	-179.1	61.8	0	0	0	112.1	E719 D720 A721 I727	E719-L723 PolarHBondContact O-N 3.45Å; D720-L723 PolarHBondContact O-N 2.63Å; A721-L723 VanDerWaalsContact C-N 3.35Å; A721-L723 PolarHBondContact O-N 2.64Å; L723-I727 HydrophobicContact CD1-CD1 3.84Å; L723-I727 HydrophobicContact CD1-CG1 4.39Å; L723-I727 HydrophobicContact CG-CD1 3.95Å; L723-I727 WeakPolarHBondContact O-CB 3.21Å; L723-I727 WeakPolarHBondContact O-CD1 3.35Å; L723-I727 VanDerWaalsContact O-CG1 3.23Å; L723-I727 WeakPolarHBondContact O-CG1 3.13Å; L723-I727 PolarHBondContact O-N 3.47Å
724	I	91.8	Very high	88.3	Confident	38 Å²	38	56.8 Å²	56.8	20%	0.195	28%	0.276	C	S	.	.	H	α-helix	trans	-68	-41.3	-178.3	-66.4	163.2	0	0	0	111.3	L710 R711 V712 D720 A721 L722 A728	L710-I724 HydrophobicContact CD1-CG2 3.88Å; L710-I724 HydrophobicContact CG-CG2 3.9Å; R711-I724 VanDerWaalsContact O-CD1 3.27Å; R711-I724 WeakPolarHBondContact O-CD1 3.5Å; V712-I724 HydrophobicContact CG1-CD1 4.01Å; D720-I724 WeakPolarHBondContact O-CD1 3.19Å; D720-I724 VanDerWaalsContact O-CG1 3.29Å; D720-I724 WeakPolarHBondContact O-CG1 3.2Å; D720-I724 PolarHBondContact O-N 2.99Å; A721-I724 PolarHBondContact O-N 3.44Å; L722-I724 PolarHBondContact O-N 3.1Å; I724-A728 VanDerWaalsContact O-CB 3.25Å; I724-A728 WeakPolarHBondContact O-CB 3.09Å; I724-A728 PolarHBondContact O-N 3.28Å
725	L	88.8	Confident	88.1	Confident	10 Å²	10	55.2 Å²	55.2	5%	0.052	27%	0.272	C	S	.	.	H	α-helix	trans	-73.5	-34.2	-179.5	-63.6	168.1	0	0	0	111.9	F708 A721 L722 F729 F736 L800 T803 L807	F708-L725 HydrophobicContact CE1-CD2 3.65Å; F708-L725 HydrophobicContact CZ-CD2 3.77Å; A721-L725 HydrophobicContact CB-CD1 4.49Å; A721-L725 VanDerWaalsContact O-CB 3.29Å; A721-L725 WeakPolarHBondContact O-CB 3.42Å; A721-L725 WeakPolarHBondContact O-CD1 3.46Å; A721-L725 WeakPolarHBondContact O-CG 3.27Å; A721-L725 PolarHBondContact O-N 3.03Å; L722-L725 PolarHBondContact O-N 3.38Å; L725-F729 VanDerWaalsContact O-CB 3.26Å; L725-F729 WeakPolarHBondContact O-CB 3.17Å; L725-F729 PolarHBondContact O-N 3.19Å; L725-F736 HydrophobicContact CD2-CD1 4.31Å; L725-F736 HydrophobicContact CD2-CE1 3.66Å; L725-L800 HydrophobicContact CD1-CD1 3.32Å; L725-T803 HydrophobicContact CD1-CG2 4.36Å; L725-T803 HydrophobicContact CD2-CG2 4.11Å; L725-L807 HydrophobicContact CD2-CD1 4.07Å
726	E	85.7	Confident	88	Confident	70 Å²	70	48.7 Å²	48.7	33%	0.327	24%	0.237	S	C	.	.	H	α-helix	trans	-65.4	-45.2	172.1	-172.7	172.7	-164.3	0	0	111.3	L722 F729 M730 R796	L722-E726 VanDerWaalsContact O-CB 3.28Å; L722-E726 WeakPolarHBondContact O-CB 3.31Å; L722-E726 PolarHBondContact O-N 3.32Å; E726-F729 PolarHBondContact O-N 3.03Å; E726-M730 HydrophobicContact CG-SD 4.41Å; E726-M730 WeakPolarHBondContact O-CG 3.45Å; E726-M730 PolarHBondContact O-N 3.02Å; E726-R796 IonicContact OE1-CZ 3.52Å; E726-R796 IonicContact OE1-NH1 3.73Å; E726-R796 PolarHBondContact OE1-NH1 3.42Å; E726-R796 IonicContact OE1-NH2 3.64Å; E726-R796 PolarHBondContact OE1-NH2 3.26Å; E726-R796 IonicContact OE2-CZ 2.76Å; E726-R796 IonicContact OE2-NH1 2.77Å; E726-R796 PolarHBondContact OE2-NH1 3.3Å; E726-R796 IonicContact OE2-NH2 2.94Å
727	I	88.1	Confident	87.8	Confident	75 Å²	75	43.5 Å²	43.5	39%	0.385	22%	0.218	S	C	.	.	H	α-helix	trans	-61.9	-49.8	174.8	-68.7	166.4	0	0	0	110.9	L723 F729 M730 E731	L723-I727 HydrophobicContact CD1-CD1 3.84Å; L723-I727 HydrophobicContact CD1-CG1 4.39Å; L723-I727 HydrophobicContact CG-CD1 3.95Å; L723-I727 WeakPolarHBondContact O-CB 3.21Å; L723-I727 WeakPolarHBondContact O-CD1 3.35Å; L723-I727 VanDerWaalsContact O-CG1 3.23Å; L723-I727 WeakPolarHBondContact O-CG1 3.13Å; L723-I727 PolarHBondContact O-N 3.47Å; I727-F729 VanDerWaalsContact C-N 3.28Å; I727-F729 PolarHBondContact O-N 3.39Å; I727-M730 PolarHBondContact O-N 2.82Å; I727-E731 HydrophobicContact CG2-CG 4.19Å; I727-E731 PolarHBondContact O-N 3.38Å
728	A	86.2	Confident	87.7	Confident	11 Å²	11	43.6 Å²	43.6	9%	0.091	22%	0.218	C	C	.	.	H	α-helix	trans	-58.8	-40.5	179.9	0	0	0	0	0	112.3	F708 I724 N732 F736	F708-A728 HydrophobicContact CE2-CB 3.47Å; F708-A728 VanDerWaalsContact CE2-CB 3.47Å; F708-A728 HydrophobicContact CZ-CB 3.59Å; I724-A728 VanDerWaalsContact O-CB 3.25Å; I724-A728 WeakPolarHBondContact O-CB 3.09Å; I724-A728 PolarHBondContact O-N 3.28Å; A728-N732 CarbonylContact O-C 3.4Å; A728-N732 PolarHBondContact O-N 2.86Å; A728-N732 VanDerWaalsContact O-O 3.06Å; A728-F736 HydrophobicContact CB-CE1 3.94Å; A728-F736 HydrophobicContact CB-CZ 4.11Å
729	F	81.6	Confident	87.5	Confident	48 Å²	48	46.4 Å²	46.4	21%	0.211	23%	0.231	C	C	.	.	H	α-helix	trans	-64.7	-39.7	173.8	172.8	-112.1	0	0	0	112.9	I595 L725 E726 I727 P733 F736 M926	I595-F729 HydrophobicContact CB-CE2 4.3Å; I595-F729 HydrophobicContact CB-CZ 4.14Å; I595-F729 HydrophobicContact CG1-CE2 3.83Å; I595-F729 HydrophobicContact CG1-CZ 3.73Å; I595-F729 HydrophobicContact CG2-CE2 3.85Å; I595-F729 HydrophobicContact CG2-CZ 4.09Å; L725-F729 VanDerWaalsContact O-CB 3.26Å; L725-F729 WeakPolarHBondContact O-CB 3.17Å; L725-F729 PolarHBondContact O-N 3.19Å; E726-F729 PolarHBondContact O-N 3.03Å; I727-F729 VanDerWaalsContact C-N 3.28Å; I727-F729 PolarHBondContact O-N 3.39Å; F729-P733 HydrophobicContact CD2-CB 4.5Å; F729-P733 HydrophobicContact CD2-CG 4.12Å; F729-P733 HydrophobicContact CE2-CG 4.45Å; F729-P733 WeakPolarHBondContact O-CD 3.5Å; F729-P733 VanDerWaalsContact O-CG 3.28Å; F729-P733 WeakPolarHBondContact O-CG 3.31Å; F729-F736 HydrophobicContact CB-CE2 4.01Å; F729-F736 HydrophobicContact CB-CZ 3.9Å; F729-F736 HydrophobicContact CD2-CE2 4.36Å; F729-M926 HydrophobicContact CB-CE 4.15Å; F729-M926 HydrophobicContact CD2-CE 3.52Å; F729-M926 HydrophobicContact CD2-SD 4.1Å; F729-M926 HydrophobicContact CE2-CE 4.07Å; F729-M926 HydrophobicContact CE2-CG 4.33Å; F729-M926 HydrophobicContact CE2-SD 4.02Å; F729-M926 HydrophobicContact CG-CE 3.88Å
730	M	80.8	Confident	87.5	Confident	145 Å²	145	42.6 Å²	42.6	71%	0.714	21%	0.213	S	C	*	.	H	α-helix	trans	-73.3	-35.7	178.9	-72.2	-176.3	69.6	0	0	113.5	E726 I727	E726-M730 HydrophobicContact CG-SD 4.41Å; E726-M730 WeakPolarHBondContact O-CG 3.45Å; E726-M730 PolarHBondContact O-N 3.02Å; I727-M730 PolarHBondContact O-N 2.82Å
731	E	83.4	Confident	87.4	Confident	163 Å²	163	43.8 Å²	43.8	76%	0.762	22%	0.22	S	C	*	.	H	α-helix	trans	-88	-51.5	-176.3	-65.8	-173.6	164.5	0	0	112.7	I727	I727-E731 HydrophobicContact CG2-CG 4.19Å; I727-E731 PolarHBondContact O-N 3.38Å
732	N	81.6	Confident	87.3	Confident	51 Å²	51	44 Å²	44	27%	0.273	22%	0.221	S	C	.	.			trans	-155.3	100.4	173.7	178.8	31.7	0	0	0	112.4	R602 A728 G734 D735	R602-N732 PolarHBondContact NH1-OD1 2.74Å; R602-N732 PolarHBondContact NH2-OD1 3.17Å; A728-N732 CarbonylContact O-C 3.4Å; A728-N732 PolarHBondContact O-N 2.86Å; A728-N732 VanDerWaalsContact O-O 3.06Å; N732-G734 PolarHBondContact O-N 2.9Å; N732-G734 PolarHBondContact OD1-N 3.01Å; N732-G734 VanDerWaalsContact OD1-N 3.13Å; N732-D735 PolarHBondContact ND2-OD1 3Å; N732-D735 WeakPolarHBondContact O-CB 3.49Å; N732-D735 PolarHBondContact O-N 2.9Å
733	P	80.5	Confident	87.4	Confident	25 Å²	25	44.9 Å²	44.9	16%	0.162	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-56	-15	173.4	-26.6	32.7	0	0	0	115.7	F729 D735 F736	F729-P733 HydrophobicContact CD2-CB 4.5Å; F729-P733 HydrophobicContact CD2-CG 4.12Å; F729-P733 HydrophobicContact CE2-CG 4.45Å; F729-P733 WeakPolarHBondContact O-CD 3.5Å; F729-P733 VanDerWaalsContact O-CG 3.28Å; F729-P733 WeakPolarHBondContact O-CG 3.31Å; P733-D735 PolarHBondContact O-N 3.47Å; P733-F736 VanDerWaalsContact O-CD2 3.31Å; P733-F736 WeakPolarHBondContact O-CD2 3.4Å
734	G	81.1	Confident	87.4	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-71.8	-16.9	173.8	0	0	0	0	0	113.5	R602 N732 F736 K737	R602-G734 VanDerWaalsContact NH1-N 3.2Å; N732-G734 PolarHBondContact O-N 2.9Å; N732-G734 PolarHBondContact OD1-N 3.01Å; N732-G734 VanDerWaalsContact OD1-N 3.13Å; G734-F736 PolarHBondContact O-N 2.84Å; G734-K737 WeakPolarHBondContact O-CA 3.42Å; G734-K737 VanDerWaalsContact O-CB 3.25Å; G734-K737 WeakPolarHBondContact O-CB 3.22Å; G734-K737 PolarHBondContact O-N 3.4Å
735	D	86.5	Confident	87.3	Confident	32 Å²	32	41.4 Å²	41.4	17%	0.171	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-62.4	-32.2	177.1	-88.6	49.9	0	0	0	111.8	F708 N732 P733 K737 K738	F708-D735 WeakPolarHBondContact CB-O 3.43Å; F708-D735 HydrophobicContact CD2-CB 3.72Å; F708-D735 HydrophobicContact CE2-CB 3.99Å; F708-D735 WeakPolarHBondContact CG-O 3.39Å; N732-D735 PolarHBondContact ND2-OD1 3Å; N732-D735 WeakPolarHBondContact O-CB 3.49Å; N732-D735 PolarHBondContact O-N 2.9Å; P733-D735 PolarHBondContact O-N 3.47Å; D735-K737 PolarHBondContact O-N 2.7Å; D735-K738 HydrophobicContact CB-CD 4.38Å; D735-K738 WeakPolarHBondContact O-CB 3.29Å; D735-K738 PolarHBondContact O-N 2.84Å; D735-K738 WeakPolarHBondContact OD1-CE 3.34Å; D735-K738 IonicContact OD1-NZ 3.13Å; D735-K738 PolarHBondContact OD1-NZ 2.95Å; D735-K738 WeakPolarHBondContact OD2-CE 3.48Å; D735-K738 IonicContact OD2-NZ 3Å; D735-K738 PolarHBondContact OD2-NZ 2.84Å
736	F	88.6	Confident	87.3	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-60.6	-13	170.8	-54.1	-47.9	0	0	0	114.5	F708 L725 A728 F729 P733 G734 T803 L807 M926 V927	F708-F736 HydrophobicContact CD1-CD1 4.29Å; F708-F736 AromaticContact CE1-CD1 3.55Å; F708-F736 HydrophobicContact CE1-CD1 3.55Å; F708-F736 AromaticContact CE1-CE1 3.84Å; F708-F736 HydrophobicContact CE1-CE1 3.84Å; F708-F736 AromaticContact CZ-CD1 3.72Å; F708-F736 HydrophobicContact CZ-CD1 3.72Å; F708-F736 AromaticContact CZ-CE1 3.62Å; F708-F736 HydrophobicContact CZ-CE1 3.62Å; L725-F736 HydrophobicContact CD2-CD1 4.31Å; L725-F736 HydrophobicContact CD2-CE1 3.66Å; A728-F736 HydrophobicContact CB-CE1 3.94Å; A728-F736 HydrophobicContact CB-CZ 4.11Å; F729-F736 HydrophobicContact CB-CE2 4.01Å; F729-F736 HydrophobicContact CB-CZ 3.9Å; F729-F736 HydrophobicContact CD2-CE2 4.36Å; P733-F736 VanDerWaalsContact O-CD2 3.31Å; P733-F736 WeakPolarHBondContact O-CD2 3.4Å; G734-F736 PolarHBondContact O-N 2.84Å; F736-T803 HydrophobicContact CD1-CG2 4.45Å; F736-T803 HydrophobicContact CE1-CG2 4.3Å; F736-L807 HydrophobicContact CB-CD2 4.46Å; F736-M926 HydrophobicContact CE2-CE 3.78Å; F736-M926 HydrophobicContact CZ-CE 4.2Å; F736-V927 HydrophobicContact CB-CG2 4.32Å
737	K	88	Confident	87.4	Confident	6 Å²	6	45.6 Å²	45.6	3%	0.026	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-97.8	-8.4	178.3	-47	-63.2	-179.3	158.8	0	112.8	E689 G734 D735 Y810 V927 D929	E689-K737 HydrophobicContact CG-CB 3.92Å; G734-K737 WeakPolarHBondContact O-CA 3.42Å; G734-K737 VanDerWaalsContact O-CB 3.25Å; G734-K737 WeakPolarHBondContact O-CB 3.22Å; G734-K737 PolarHBondContact O-N 3.4Å; D735-K737 PolarHBondContact O-N 2.7Å; K737-Y810 VanDerWaalsContact O-CE1 3.25Å; K737-Y810 WeakPolarHBondContact O-CE1 3.47Å; K737-Y810 PolarHBondContact O-OH 3.08Å; K737-V927 PolarHBondContact NZ-O 3.28Å; K737-D929 IonicContact NZ-OD1 2.78Å; K737-D929 PolarHBondContact NZ-OD1 3.44Å
738	K	89.4	Confident	87	Confident	9 Å²	9	51.7 Å²	51.7	4%	0.039	27%	0.273	C	S	.	.	S	Bend	trans	-74.6	164.5	169	-56.5	172.8	-175.2	178.5	0	109.7	E689 M705 F708 D735	E689-K738 HydrophobicContact CB-CG 4.41Å; M705-K738 PolarHBondContact O-NZ 3.42Å; F708-K738 HydrophobicContact CB-CB 4.15Å; D735-K738 HydrophobicContact CB-CD 4.38Å; D735-K738 WeakPolarHBondContact O-CB 3.29Å; D735-K738 PolarHBondContact O-N 2.84Å; D735-K738 WeakPolarHBondContact OD1-CE 3.34Å; D735-K738 IonicContact OD1-NZ 3.13Å; D735-K738 PolarHBondContact OD1-NZ 2.95Å; D735-K738 WeakPolarHBondContact OD2-CE 3.48Å; D735-K738 IonicContact OD2-NZ 3Å; D735-K738 PolarHBondContact OD2-NZ 2.84Å
739	Q	89.2	Confident	86.7	Confident	61 Å²	61	53.9 Å²	53.9	29%	0.285	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	132.4	172.6	176.3	178.7	-9	0	0	109.9	M686 F707 F708	M686-Q739 HydrophobicContact CB-CB 4.48Å; M686-Q739 HydrophobicContact CG-CB 4.3Å; M686-Q739 HydrophobicContact SD-CB 3.78Å; M686-Q739 HydrophobicContact SD-CG 4.26Å; F707-Q739 CarbonylContact C-O 3.52Å; F707-Q739 WeakPolarHBondContact CA-O 3.3Å; F707-Q739 HydrophobicContact CD1-CB 4.06Å; F707-Q739 HydrophobicContact CD1-CG 4.34Å; F707-Q739 HydrophobicContact CE1-CB 4.5Å; F708-Q739 PolarHBondContact N-O 3.14Å
740	L	92.6	Very high	86.7	Confident	5 Å²	5	58.2 Å²	58.2	3%	0.026	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	146.6	177.8	-175	65.7	0	0	0	111.8	F708 L710 I742 F760 N811	F708-L740 HydrophobicContact CD1-CD1 4.09Å; F708-L740 CarbonylContact O-C 3.54Å; F708-L740 WeakPolarHBondContact O-CA 3.33Å; L710-L740 HydrophobicContact CD1-CD1 4.1Å; L710-L740 HydrophobicContact CD2-CD1 4.42Å; L740-I742 HydrophobicContact CD1-CD1 4.06Å; L740-I742 HydrophobicContact CD2-CD1 4.25Å; L740-I742 HydrophobicContact CG-CD1 4.12Å; L740-F760 HydrophobicContact CD2-CE2 3.69Å; L740-F760 HydrophobicContact CD2-CZ 3.92Å; L740-N811 WeakPolarHBondContact CB-OD1 3.45Å; L740-N811 PolarHBondContact N-OD1 3Å
741	L	92.1	Very high	86.7	Confident	43 Å²	43	51.9 Å²	51.9	23%	0.225	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	117.6	173.1	-169.3	84.1	0	0	0	110.1	F707 F708 K709 L710 D751	F707-L741 HydrophobicContact CB-CB 4.22Å; F708-L741 PolarHBondContact O-N 3.44Å; K709-L741 VanDerWaalsContact CA-O 3.32Å; K709-L741 WeakPolarHBondContact CA-O 3.4Å; K709-L741 HydrophobicContact CD-CD2 4.2Å; K709-L741 HydrophobicContact CG-CD2 4.28Å; L710-L741 PolarHBondContact N-O 3Å; L741-D751 HydrophobicContact CD1-CB 3.93Å; L741-D751 HydrophobicContact CG-CB 4.38Å
742	I	93.1	Very high	86.5	Confident	4 Å²	4	50 Å²	50	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	139.9	177.4	-57.5	-51	0	0	0	111.8	L710 L740 F744 D751 L755 F759	L710-I742 HydrophobicContact CB-CD1 3.73Å; L710-I742 HydrophobicContact CD2-CD1 4.27Å; L740-I742 HydrophobicContact CD1-CD1 4.06Å; L740-I742 HydrophobicContact CD2-CD1 4.25Å; L740-I742 HydrophobicContact CG-CD1 4.12Å; I742-F744 HydrophobicContact CG2-CD2 4.32Å; I742-F744 HydrophobicContact CG2-CE2 4.07Å; I742-F744 HydrophobicContact CG2-CZ 4.21Å; I742-D751 PolarHBondContact N-OD2 3.08Å; I742-L755 HydrophobicContact CB-CB 3.95Å; I742-L755 HydrophobicContact CG2-CB 4.07Å; I742-F759 HydrophobicContact CD1-CB 4.17Å; I742-F759 HydrophobicContact CD1-CD1 3.76Å; I742-F759 HydrophobicContact CD1-CD2 4.3Å; I742-F759 HydrophobicContact CD1-CE1 4.23Å; I742-F759 HydrophobicContact CD1-CG 3.81Å; I742-F759 HydrophobicContact CG1-CB 3.86Å; I742-F759 HydrophobicContact CG1-CD1 4.26Å; I742-F759 HydrophobicContact CG1-CG 4.07Å; I742-F759 HydrophobicContact CG2-CB 4.06Å
743	E	92.7	Very high	86.4	Confident	52 Å²	52	49 Å²	49	24%	0.243	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	121.4	165.4	-179.2	175.4	107	0	0	109.2	K709 L710 R711 V712	K709-E743 WeakPolarHBondContact CE-OE2 3.41Å; K709-E743 IonicContact NZ-OE1 2.76Å; K709-E743 IonicContact NZ-OE2 3.73Å; K709-E743 PolarHBondContact NZ-OE2 2.97Å; L710-E743 PolarHBondContact O-N 3.32Å; R711-E743 CarbonylContact C-O 3.58Å; R711-E743 VanDerWaalsContact CA-O 3.25Å; R711-E743 WeakPolarHBondContact CA-O 3.37Å; R711-E743 HydrophobicContact CB-CB 4.34Å; R711-E743 WeakPolarHBondContact CD-OE1 3.39Å; R711-E743 HydrophobicContact CG-CB 4.33Å; R711-E743 HydrophobicContact CG-CG 4.22Å; R711-E743 IonicContact CZ-OE1 3.72Å; R711-E743 VanDerWaalsContact CZ-OE1 3.27Å; R711-E743 IonicContact NE-OE1 2.81Å; R711-E743 PolarHBondContact NE-OE1 2.87Å; R711-E743 IonicContact NH1-OE1 3.07Å; R711-E743 PolarHBondContact NH1-OE1 2.8Å; V712-E743 PolarHBondContact N-O 2.96Å
744	F	92.9	Very high	86.4	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.018	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	127.8	170.6	-72.1	-69.4	0	0	0	110.2	V712 R714 I717 I742 G746 E747 L755 E758 F759 L762	V712-F744 HydrophobicContact CG2-CD1 3.9Å; V712-F744 HydrophobicContact CG2-CE1 3.88Å; V712-F744 CarbonylContact O-C 3.56Å; V712-F744 WeakPolarHBondContact O-CA 3.37Å; R714-F744 HydrophobicContact CG-CD1 3.7Å; R714-F744 HydrophobicContact CG-CE1 4Å; R714-F744 HydrophobicContact CG-CG 4.37Å; I717-F744 HydrophobicContact CD1-CE1 4.45Å; I742-F744 HydrophobicContact CG2-CD2 4.32Å; I742-F744 HydrophobicContact CG2-CE2 4.07Å; I742-F744 HydrophobicContact CG2-CZ 4.21Å; F744-G746 PolarHBondContact O-N 2.97Å; F744-G746 VanDerWaalsContact O-N 3.16Å; F744-E747 HydrophobicContact CB-CB 4.02Å; F744-E747 HydrophobicContact CB-CG 4.18Å; F744-E747 WeakPolarHBondContact CB-OE2 3.32Å; F744-E747 PolarHBondContact O-N 2.93Å; F744-L755 HydrophobicContact CD2-CD2 4.24Å; F744-L755 HydrophobicContact CE2-CB 4.23Å; F744-L755 HydrophobicContact CE2-CD2 4.32Å; F744-E758 HydrophobicContact CE2-CB 4.42Å; F744-F759 HydrophobicContact CZ-CB 4.16Å; F744-L762 HydrophobicContact CE1-CD1 4.23Å; F744-L762 HydrophobicContact CZ-CD1 4.09Å
745	D	90.6	Very high	86.8	Confident	56 Å²	56	49.2 Å²	49.2	30%	0.299	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	114.1	-170.1	-168.6	30.3	0	0	0	112.3	R711 V712 H713	R711-D745 HydrophobicContact CG-CB 4.45Å; R711-D745 IonicContact CZ-OD1 2.73Å; R711-D745 IonicContact NE-OD1 2.75Å; R711-D745 PolarHBondContact NE-OD1 3.25Å; R711-D745 IonicContact NH2-OD1 3.52Å; R711-D745 PolarHBondContact NH2-OD1 2.74Å; V712-D745 PolarHBondContact O-N 3.46Å; H713-D745 HydrophobicContact CB-CB 4.19Å
746	G	88.3	Confident	86.9	Confident	78 Å²	78	48 Å²	48	80%	0.804	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.4	-3.6	-176.9	0	0	0	0	0	115.2	F744	F744-G746 PolarHBondContact O-N 2.97Å; F744-G746 VanDerWaalsContact O-N 3.16Å
747	E	88.1	Confident	86.7	Confident	90 Å²	90	50.7 Å²	50.7	42%	0.421	29%	0.289	S	S	.	.			trans	-98.2	159.3	180	-69	171.5	-142.4	0	0	112.3	R714 F744	R714-E747 VanDerWaalsContact CD-OE1 3.31Å; R714-E747 WeakPolarHBondContact CD-OE1 3.49Å; R714-E747 IonicContact CZ-OE1 3.84Å; R714-E747 IonicContact CZ-OE2 2.81Å; R714-E747 VanDerWaalsContact NE-CD 3.32Å; R714-E747 IonicContact NE-OE1 3.34Å; R714-E747 PolarHBondContact NE-OE1 3.45Å; R714-E747 IonicContact NE-OE2 2.65Å; R714-E747 PolarHBondContact NE-OE2 2.85Å; R714-E747 VanDerWaalsContact NE-OE2 3.13Å; R714-E747 IonicContact NH2-OE1 2.85Å; R714-E747 IonicContact NH2-OE2 3.65Å; R714-E747 PolarHBondContact NH2-OE2 2.91Å; F744-E747 HydrophobicContact CB-CB 4.02Å; F744-E747 HydrophobicContact CB-CG 4.18Å; F744-E747 WeakPolarHBondContact CB-OE2 3.32Å; F744-E747 PolarHBondContact O-N 2.93Å
748	Q	80.6	Confident	86.6	Confident	202 Å²	202	50.6 Å²	50.6	94%	0.944	29%	0.288	S	S	*	.			trans	-105.8	118.7	174.3	-67.6	-173.8	6	0	0	109.8
749	G	78.1	Confident	86.7	Confident	57 Å²	57	50.2 Å²	50.2	59%	0.588	29%	0.287	S	S	*	.			trans	-170.4	159.5	174.2	0	0	0	0	0	111.7
750	I	81.6	Confident	86.9	Confident	139 Å²	139	47.4 Å²	47.4	71%	0.713	27%	0.274	S	S	*	.			trans	-116.8	125.8	169.2	-61.1	175.1	0	0	0	105.6	E752	I750-E752 HydrophobicContact CG2-CG 4.2Å; I750-E752 PolarHBondContact O-N 2.98Å
751	D	82.5	Confident	86.6	Confident	13 Å²	13	49.7 Å²	49.7	7%	0.07	28%	0.284	C	S	.	.			trans	-80.6	84.1	-177.5	-171.3	22.3	0	0	0	111.8	L741 I742 G753 G754 L755 S756	L741-D751 HydrophobicContact CD1-CB 3.93Å; L741-D751 HydrophobicContact CG-CB 4.38Å; I742-D751 PolarHBondContact N-OD2 3.08Å; D751-G753 PolarHBondContact O-N 3.28Å; D751-G753 VanDerWaalsContact OD1-C 3.26Å; D751-G753 VanDerWaalsContact OD1-CA 3.28Å; D751-G753 WeakPolarHBondContact OD1-CA 3.4Å; D751-G753 PolarHBondContact OD1-N 2.81Å; D751-G754 PolarHBondContact OD1-N 2.87Å; D751-L755 HydrophobicContact CB-CB 3.97Å; D751-L755 HydrophobicContact CB-CD1 4.2Å; D751-L755 HydrophobicContact CB-CG 4.28Å; D751-L755 WeakPolarHBondContact OD1-CA 3.24Å; D751-L755 PolarHBondContact OD1-N 2.91Å; D751-S756 PolarHBondContact OD1-N 2.87Å; D751-S756 WeakPolarHBondContact OD2-CB 3.24Å; D751-S756 PolarHBondContact OD2-N 3.46Å; D751-S756 PolarHBondContact OD2-OG 3.42Å
752	E	78.8	Confident	86.5	Confident	122 Å²	122	50 Å²	50	57%	0.57	29%	0.286	S	S	*	.	S	Bend	trans	-82.2	33.9	166.7	-60	178.6	159.2	0	0	110.8	I750 G754 F1030	I750-E752 HydrophobicContact CG2-CG 4.2Å; I750-E752 PolarHBondContact O-N 2.98Å; E752-G754 VanDerWaalsContact C-N 3.33Å; E752-F1030 VanDerWaalsContact OE2-CZ 3.3Å; E752-F1030 WeakPolarHBondContact OE2-CZ 3.35Å
753	G	79.9	Confident	86.5	Confident	31 Å²	31	49.9 Å²	49.9	32%	0.32	29%	0.285	S	S	.	.	S	Bend	trans	88.7	-14.3	-174.7	0	0	0	0	0	114.7	D751 K757	D751-G753 PolarHBondContact O-N 3.28Å; D751-G753 VanDerWaalsContact OD1-C 3.26Å; D751-G753 VanDerWaalsContact OD1-CA 3.28Å; D751-G753 WeakPolarHBondContact OD1-CA 3.4Å; D751-G753 PolarHBondContact OD1-N 2.81Å; G753-K757 WeakPolarHBondContact O-CG 3.27Å; G753-K757 PolarHBondContact O-N 3.28Å
754	G	80.3	Confident	86.4	Confident	2 Å²	2	48 Å²	48	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-67.6	-43.8	178.7	0	0	0	0	0	113.7	D751 E752 K757 E758	D751-G754 PolarHBondContact OD1-N 2.87Å; E752-G754 VanDerWaalsContact C-N 3.33Å; G754-K757 PolarHBondContact O-N 3.42Å; G754-E758 PolarHBondContact O-N 3.39Å; G754-E758 VanDerWaalsContact O-N 3.17Å
755	L	88.2	Confident	86.2	Confident	28 Å²	28	54.7 Å²	54.7	15%	0.147	31%	0.308	C	S	.	.	H	α-helix	trans	-76.8	-32.8	179.1	-53.8	-178.2	0	0	0	110.7	I742 F744 D751 E758 F759	I742-L755 HydrophobicContact CB-CB 3.95Å; I742-L755 HydrophobicContact CG2-CB 4.07Å; F744-L755 HydrophobicContact CD2-CD2 4.24Å; F744-L755 HydrophobicContact CE2-CB 4.23Å; F744-L755 HydrophobicContact CE2-CD2 4.32Å; D751-L755 HydrophobicContact CB-CB 3.97Å; D751-L755 HydrophobicContact CB-CD1 4.2Å; D751-L755 HydrophobicContact CB-CG 4.28Å; D751-L755 WeakPolarHBondContact OD1-CA 3.24Å; D751-L755 PolarHBondContact OD1-N 2.91Å; L755-E758 PolarHBondContact O-N 2.94Å; L755-F759 VanDerWaalsContact O-CB 3.28Å; L755-F759 WeakPolarHBondContact O-CB 3.38Å; L755-F759 PolarHBondContact O-N 2.74Å
756	S	88.9	Confident	86.2	Confident	7 Å²	7	58 Å²	58	5%	0.049	32%	0.316	C	S	.	.	H	α-helix	trans	-54.9	-51.6	166.7	-80.5	0	0	0	0	111.9	D751 E758 F759 F760	D751-S756 PolarHBondContact OD1-N 2.87Å; D751-S756 WeakPolarHBondContact OD2-CB 3.24Å; D751-S756 PolarHBondContact OD2-N 3.46Å; D751-S756 PolarHBondContact OD2-OG 3.42Å; S756-E758 PolarHBondContact O-N 2.84Å; S756-F759 PolarHBondContact O-N 3.11Å; S756-F760 WeakPolarHBondContact O-CD2 3.49Å; S756-F760 PolarHBondContact O-N 2.98Å; S756-F760 VanDerWaalsContact O-N 3.09Å
757	K	84.1	Confident	86.3	Confident	55 Å²	55	54.2 Å²	54.2	24%	0.239	28%	0.278	C	S	.	.	H	α-helix	trans	-56.3	-47.6	175.6	-75	171.2	179.1	179.3	0	112.1	G753 G754 F760 Q761 T996 T1028	G753-K757 WeakPolarHBondContact O-CG 3.27Å; G753-K757 PolarHBondContact O-N 3.28Å; G754-K757 PolarHBondContact O-N 3.42Å; K757-F760 PolarHBondContact O-N 3.05Å; K757-Q761 WeakPolarHBondContact O-CG 3.37Å; K757-Q761 PolarHBondContact O-N 3.04Å; K757-Q761 VanDerWaalsContact O-N 3.13Å; K757-T996 PolarHBondContact NZ-O 3.29Å; K757-T1028 PolarHBondContact NZ-O 3.16Å
758	E	86.2	Confident	86.3	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.019	26%	0.26	C	S	.	.	H	α-helix	trans	-66.3	-41	-178.5	-165.2	179.4	-152.6	0	0	112	R714 F744 G754 L755 S756 F760 Q761 L762 F1058	R714-E758 IonicContact CZ-OE1 3.5Å; R714-E758 IonicContact CZ-OE2 2.84Å; R714-E758 IonicContact NH1-OE1 2.71Å; R714-E758 PolarHBondContact NH1-OE1 3.03Å; R714-E758 IonicContact NH1-OE2 3.36Å; R714-E758 PolarHBondContact NH1-OE2 3.31Å; R714-E758 IonicContact NH2-OE1 3.52Å; R714-E758 IonicContact NH2-OE2 2.7Å; R714-E758 PolarHBondContact NH2-OE2 2.93Å; F744-E758 HydrophobicContact CE2-CB 4.42Å; G754-E758 PolarHBondContact O-N 3.39Å; G754-E758 VanDerWaalsContact O-N 3.17Å; L755-E758 PolarHBondContact O-N 2.94Å; S756-E758 PolarHBondContact O-N 2.84Å; E758-F760 PolarHBondContact O-N 2.9Å; E758-Q761 PolarHBondContact O-N 3.44Å; E758-L762 HydrophobicContact CG-CD1 3.98Å; E758-L762 HydrophobicContact CG-CG 4.29Å; E758-L762 WeakPolarHBondContact O-CB 3.49Å; E758-L762 WeakPolarHBondContact O-CG 3.38Å; E758-L762 PolarHBondContact O-N 2.9Å; E758-F1058 HydrophobicContact CB-CD2 3.98Å; E758-F1058 HydrophobicContact CB-CE2 3.79Å; E758-F1058 HydrophobicContact CB-CZ 4.33Å; E758-F1058 HydrophobicContact CG-CD2 3.7Å; E758-F1058 HydrophobicContact CG-CE2 3.92Å; E758-F1058 VanDerWaalsContact OE1-CD2 3.28Å; E758-F1058 WeakPolarHBondContact OE1-CD2 3.38Å; E758-F1058 PolarHBondContact OE1-N 2.89Å; E758-F1058 VanDerWaalsContact OE1-N 3.08Å
759	F	92.4	Very high	86.6	Confident	1 Å²	1	43.3 Å²	43.3	0%	0.004	23%	0.228	C	C	.	.	H	α-helix	trans	-56.7	-50.2	174.7	166.9	-101.7	0	0	0	112.1	L710 V712 I717 A721 I742 F744 L755 S756 Q761 L762 I763 L804	L710-F759 HydrophobicContact CD2-CE1 4.05Å; L710-F759 HydrophobicContact CD2-CE2 4.33Å; L710-F759 HydrophobicContact CD2-CZ 3.68Å; V712-F759 HydrophobicContact CG1-CE2 4.24Å; V712-F759 HydrophobicContact CG2-CD2 3.94Å; V712-F759 HydrophobicContact CG2-CE2 4.19Å; I717-F759 HydrophobicContact CD1-CD2 3.71Å; I717-F759 HydrophobicContact CD1-CE2 4.14Å; I717-F759 HydrophobicContact CG1-CD2 3.94Å; I717-F759 HydrophobicContact CG1-CE2 3.89Å; A721-F759 HydrophobicContact CB-CE2 4.35Å; A721-F759 HydrophobicContact CB-CZ 4.23Å; I742-F759 HydrophobicContact CD1-CB 4.17Å; I742-F759 HydrophobicContact CD1-CD1 3.76Å; I742-F759 HydrophobicContact CD1-CD2 4.3Å; I742-F759 HydrophobicContact CD1-CE1 4.23Å; I742-F759 HydrophobicContact CD1-CG 3.81Å; I742-F759 HydrophobicContact CG1-CB 3.86Å; I742-F759 HydrophobicContact CG1-CD1 4.26Å; I742-F759 HydrophobicContact CG1-CG 4.07Å; I742-F759 HydrophobicContact CG2-CB 4.06Å; F744-F759 HydrophobicContact CZ-CB 4.16Å; L755-F759 VanDerWaalsContact O-CB 3.28Å; L755-F759 WeakPolarHBondContact O-CB 3.38Å; L755-F759 PolarHBondContact O-N 2.74Å; S756-F759 PolarHBondContact O-N 3.11Å; F759-Q761 VanDerWaalsContact C-N 3.33Å; F759-Q761 PolarHBondContact O-N 3.29Å; F759-L762 PolarHBondContact O-N 3.3Å; F759-I763 HydrophobicContact CE2-CD1 4.02Å; F759-I763 HydrophobicContact CZ-CD1 3.9Å; F759-I763 VanDerWaalsContact O-CG2 3.3Å; F759-I763 WeakPolarHBondContact O-CG2 3.41Å; F759-I763 PolarHBondContact O-N 3.01Å; F759-L804 HydrophobicContact CE1-CD2 3.6Å; F759-L804 HydrophobicContact CZ-CD2 3.85Å
760	F	92.3	Very high	86.9	Confident	3 Å²	3	45.1 Å²	45.1	1%	0.013	23%	0.23	C	C	.	.	H	α-helix	trans	-61.8	-39.6	178.3	-79.7	-66	0	0	0	112.1	L740 S756 K757 E758 I764 L804 L807 A808 V813 L815	L740-F760 HydrophobicContact CD2-CE2 3.69Å; L740-F760 HydrophobicContact CD2-CZ 3.92Å; S756-F760 WeakPolarHBondContact O-CD2 3.49Å; S756-F760 PolarHBondContact O-N 2.98Å; S756-F760 VanDerWaalsContact O-N 3.09Å; K757-F760 PolarHBondContact O-N 3.05Å; E758-F760 PolarHBondContact O-N 2.9Å; F760-I764 VanDerWaalsContact O-CB 3.29Å; F760-I764 WeakPolarHBondContact O-CB 3.33Å; F760-I764 VanDerWaalsContact O-CD1 3.25Å; F760-I764 WeakPolarHBondContact O-CD1 3.49Å; F760-I764 WeakPolarHBondContact O-CG1 3.49Å; F760-I764 PolarHBondContact O-N 3.32Å; F760-L804 HydrophobicContact CD1-CD2 4.31Å; F760-L804 HydrophobicContact CE1-CB 4.1Å; F760-L804 HydrophobicContact CE1-CD2 3.84Å; F760-L804 WeakPolarHBondContact CE1-O 3.37Å; F760-L807 HydrophobicContact CZ-CB 4.07Å; F760-A808 HydrophobicContact CD1-CB 4.46Å; F760-A808 HydrophobicContact CE1-CB 4.02Å; F760-A808 HydrophobicContact CZ-CB 4.07Å; F760-V813 HydrophobicContact CD2-CB 4.12Å; F760-V813 HydrophobicContact CD2-CG1 3.73Å; F760-V813 HydrophobicContact CD2-CG2 4.25Å; F760-V813 HydrophobicContact CE2-CB 4.19Å; F760-V813 HydrophobicContact CE2-CG1 4.31Å; F760-V813 HydrophobicContact CE2-CG2 4.1Å; F760-V813 HydrophobicContact CG-CG1 4.35Å; F760-L815 HydrophobicContact CB-CD2 3.81Å; F760-L815 HydrophobicContact CD1-CD2 3.82Å; F760-L815 HydrophobicContact CG-CD2 3.86Å
761	Q	87.6	Confident	87.1	Confident	53 Å²	53	45.4 Å²	45.4	25%	0.248	23%	0.233	C	C	.	.	H	α-helix	trans	-63	-51.6	175.4	-73.5	173.8	-7.8	0	0	112.2	K757 E758 F759 I763 I764 E765 G997	K757-Q761 WeakPolarHBondContact O-CG 3.37Å; K757-Q761 PolarHBondContact O-N 3.04Å; K757-Q761 VanDerWaalsContact O-N 3.13Å; E758-Q761 PolarHBondContact O-N 3.44Å; F759-Q761 VanDerWaalsContact C-N 3.33Å; F759-Q761 PolarHBondContact O-N 3.29Å; Q761-I763 PolarHBondContact O-N 2.7Å; Q761-I764 PolarHBondContact O-N 3.08Å; Q761-E765 WeakPolarHBondContact O-CB 3.42Å; Q761-E765 PolarHBondContact O-N 3.28Å; Q761-G997 PolarHBondContact NE2-O 2.98Å; Q761-G997 PolarHBondContact OE1-O 3.01Å
762	L	90.6	Very high	87.3	Confident	50 Å²	50	47.5 Å²	47.5	26%	0.262	24%	0.24	S	C	.	.	H	α-helix	trans	-63	-40.6	-176.6	-70.8	173	0	0	0	112.7	I717 F744 E758 F759 R766	I717-L762 HydrophobicContact CD1-CB 3.54Å; I717-L762 HydrophobicContact CD1-CD1 4.33Å; F744-L762 HydrophobicContact CE1-CD1 4.23Å; F744-L762 HydrophobicContact CZ-CD1 4.09Å; E758-L762 HydrophobicContact CG-CD1 3.98Å; E758-L762 HydrophobicContact CG-CG 4.29Å; E758-L762 WeakPolarHBondContact O-CB 3.49Å; E758-L762 WeakPolarHBondContact O-CG 3.38Å; E758-L762 PolarHBondContact O-N 2.9Å; F759-L762 PolarHBondContact O-N 3.3Å; L762-R766 VanDerWaalsContact O-CB 3.32Å; L762-R766 WeakPolarHBondContact O-CB 3.45Å; L762-R766 PolarHBondContact O-N 3.46Å; L762-R766 VanDerWaalsContact O-N 3.12Å
763	I	92.2	Very high	87.7	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-73.4	-32.5	-178.7	-159	160.9	0	0	0	112	I717 V718 A721 F759 Q761 I767 L800 L804	I717-I763 HydrophobicContact CD1-CB 4.07Å; I717-I763 HydrophobicContact CG1-CB 4.27Å; I717-I763 HydrophobicContact CG1-CD1 4.34Å; I717-I763 HydrophobicContact CG1-CG1 4.49Å; V718-I763 HydrophobicContact CG2-CG1 4.15Å; A721-I763 HydrophobicContact CB-CD1 3.48Å; A721-I763 VanDerWaalsContact CB-CD1 3.48Å; F759-I763 HydrophobicContact CE2-CD1 4.02Å; F759-I763 HydrophobicContact CZ-CD1 3.9Å; F759-I763 VanDerWaalsContact O-CG2 3.3Å; F759-I763 WeakPolarHBondContact O-CG2 3.41Å; F759-I763 PolarHBondContact O-N 3.01Å; Q761-I763 PolarHBondContact O-N 2.7Å; I763-I767 HydrophobicContact CG1-CD1 3.96Å; I763-I767 WeakPolarHBondContact O-CG1 3.2Å; I763-I767 PolarHBondContact O-N 2.9Å; I763-L800 HydrophobicContact CD1-CD1 4.44Å; I763-L800 HydrophobicContact CD1-CD2 4.45Å; I763-L804 HydrophobicContact CD1-CD1 3.79Å; I763-L804 HydrophobicContact CG1-CD1 4.1Å; I763-L804 HydrophobicContact CG2-CD1 3.84Å
764	I	91.1	Very high	88.2	Confident	12 Å²	12	40.7 Å²	40.7	6%	0.062	20%	0.203	C	C	.	.	H	α-helix	trans	-71.9	-49.7	174.8	-71.7	168.6	0	0	0	110.7	F760 Q761 R766 I767 F768 L815 D816 V817	F760-I764 VanDerWaalsContact O-CB 3.29Å; F760-I764 WeakPolarHBondContact O-CB 3.33Å; F760-I764 VanDerWaalsContact O-CD1 3.25Å; F760-I764 WeakPolarHBondContact O-CD1 3.49Å; F760-I764 WeakPolarHBondContact O-CG1 3.49Å; F760-I764 PolarHBondContact O-N 3.32Å; Q761-I764 PolarHBondContact O-N 3.08Å; I764-R766 PolarHBondContact O-N 3.05Å; I764-R766 VanDerWaalsContact O-N 3.15Å; I764-I767 PolarHBondContact O-N 3.03Å; I764-I767 VanDerWaalsContact O-N 3.15Å; I764-F768 HydrophobicContact CB-CD2 4.43Å; I764-F768 HydrophobicContact CG2-CD2 3.73Å; I764-F768 HydrophobicContact CG2-CE2 3.91Å; I764-F768 HydrophobicContact CG2-CG 4.37Å; I764-F768 WeakPolarHBondContact O-CB 3.47Å; I764-F768 VanDerWaalsContact O-CD2 3.3Å; I764-F768 WeakPolarHBondContact O-CD2 3.29Å; I764-F768 PolarHBondContact O-N 2.69Å; I764-L815 HydrophobicContact CD1-CB 3.93Å; I764-L815 HydrophobicContact CD1-CD1 4.02Å; I764-L815 HydrophobicContact CD1-CD2 3.74Å; I764-L815 HydrophobicContact CD1-CG 4.1Å; I764-D816 WeakPolarHBondContact CG2-O 3.23Å; I764-V817 HydrophobicContact CD1-CG1 3.91Å; I764-V817 HydrophobicContact CG1-CG1 4.33Å; I764-V817 HydrophobicContact CG2-CG1 3.94Å
765	E	88.8	Confident	88.7	Confident	145 Å²	145	41 Å²	41	68%	0.678	20%	0.203	S	C	*	.	H	α-helix	trans	-54.4	-36.4	175.2	-175.8	176.9	-174.1	0	0	111.2	Q761	Q761-E765 WeakPolarHBondContact O-CB 3.42Å; Q761-E765 PolarHBondContact O-N 3.28Å
766	R	90.7	Very high	88.8	Confident	125 Å²	125	42.9 Å²	42.9	47%	0.472	22%	0.216	S	C	.	.	H	α-helix	trans	-72.3	-38.3	179.7	-168.7	53.3	165.4	154.7	-4.5	114.3	V718 L762 I764	V718-R766 HydrophobicContact CG2-CB 4.08Å; V718-R766 HydrophobicContact CG2-CG 3.67Å; L762-R766 VanDerWaalsContact O-CB 3.32Å; L762-R766 WeakPolarHBondContact O-CB 3.45Å; L762-R766 PolarHBondContact O-N 3.46Å; L762-R766 VanDerWaalsContact O-N 3.12Å; I764-R766 PolarHBondContact O-N 3.05Å; I764-R766 VanDerWaalsContact O-N 3.15Å
767	I	89.5	Confident	88.8	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-90.6	-28.8	-173.3	-69.9	168.7	0	0	0	112.7	V718 I763 I764 N769 Y772 M774 F775 L800 I801	V718-I767 HydrophobicContact CG1-CD1 3.91Å; V718-I767 HydrophobicContact CG1-CG1 4.22Å; V718-I767 HydrophobicContact CG2-CD1 3.9Å; V718-I767 HydrophobicContact CG2-CG1 3.76Å; I763-I767 HydrophobicContact CG1-CD1 3.96Å; I763-I767 WeakPolarHBondContact O-CG1 3.2Å; I763-I767 PolarHBondContact O-N 2.9Å; I764-I767 PolarHBondContact O-N 3.03Å; I764-I767 VanDerWaalsContact O-N 3.15Å; I767-N769 VanDerWaalsContact C-N 3.27Å; I767-Y772 HydrophobicContact CG1-CD1 4.41Å; I767-Y772 HydrophobicContact CG1-CE1 4.25Å; I767-Y772 HydrophobicContact CG2-CD1 4.33Å; I767-M774 HydrophobicContact CG2-CB 4.45Å; I767-M774 HydrophobicContact CG2-CE 4Å; I767-M774 HydrophobicContact CG2-SD 3.42Å; I767-M774 WeakPolarHBondContact CG2-SD 3.41Å; I767-F775 HydrophobicContact CG2-CD2 4.3Å; I767-F775 HydrophobicContact CG2-CE2 4Å; I767-L800 HydrophobicContact CD1-CD2 3.69Å; I767-I801 HydrophobicContact CB-CD1 4.04Å; I767-I801 HydrophobicContact CD1-CD1 3.5Å; I767-I801 HydrophobicContact CD1-CG1 4.16Å; I767-I801 HydrophobicContact CG1-CD1 4.37Å; I767-I801 HydrophobicContact CG2-CD1 3.72Å; I767-I801 HydrophobicContact CG2-CG1 3.81Å
768	F	88	Confident	89	Confident	10 Å²	10	44.5 Å²	44.5	4%	0.044	23%	0.226	C	C	.	.	S	Bend	trans	-81.9	-6.9	174.5	-75.4	-110.2	0	0	0	112.9	I764 F775 Y784 V817 F819	I764-F768 HydrophobicContact CB-CD2 4.43Å; I764-F768 HydrophobicContact CG2-CD2 3.73Å; I764-F768 HydrophobicContact CG2-CE2 3.91Å; I764-F768 HydrophobicContact CG2-CG 4.37Å; I764-F768 WeakPolarHBondContact O-CB 3.47Å; I764-F768 VanDerWaalsContact O-CD2 3.3Å; I764-F768 WeakPolarHBondContact O-CD2 3.29Å; I764-F768 PolarHBondContact O-N 2.69Å; F768-F775 HydrophobicContact CD1-CD2 4.49Å; F768-F775 HydrophobicContact CE2-CE2 4.39Å; F768-F775 HydrophobicContact CZ-CE2 4.47Å; F768-Y784 HydrophobicContact CB-CE1 4.18Å; F768-Y784 AromaticContact CD1-CD1 3.84Å; F768-Y784 HydrophobicContact CD1-CD1 3.84Å; F768-Y784 AromaticContact CD1-CD2 3.59Å; F768-Y784 HydrophobicContact CD1-CD2 3.59Å; F768-Y784 HydrophobicContact CD1-CE1 4.15Å; F768-Y784 AromaticContact CD1-CE2 3.92Å; F768-Y784 HydrophobicContact CD1-CE2 3.92Å; F768-Y784 AromaticContact CD1-CG 3.54Å; F768-Y784 HydrophobicContact CD1-CG 3.54Å; F768-Y784 HydrophobicContact CE1-CD2 4.02Å; F768-Y784 AromaticContact CE1-CG 3.99Å; F768-Y784 HydrophobicContact CE1-CG 3.99Å; F768-Y784 WeakPolarHBondContact O-CE1 3.46Å; F768-V817 HydrophobicContact CE1-CB 4.37Å; F768-V817 HydrophobicContact CE1-CG1 4.24Å; F768-V817 HydrophobicContact CE2-CG1 3.84Å; F768-V817 HydrophobicContact CZ-CB 3.97Å; F768-V817 HydrophobicContact CZ-CG1 3.48Å; F768-V817 VanDerWaalsContact CZ-CG1 3.48Å; F768-F819 AromaticContact CE1-CE1 3.95Å; F768-F819 HydrophobicContact CE1-CE1 3.95Å; F768-F819 HydrophobicContact CE1-CE2 4.17Å; F768-F819 AromaticContact CE1-CZ 3.68Å; F768-F819 HydrophobicContact CE1-CZ 3.68Å; F768-F819 HydrophobicContact CE2-CZ 4.5Å; F768-F819 HydrophobicContact CZ-CE1 4.09Å; F768-F819 AromaticContact CZ-CE2 3.7Å; F768-F819 HydrophobicContact CZ-CE2 3.7Å; F768-F819 AromaticContact CZ-CZ 3.35Å; F768-F819 HydrophobicContact CZ-CZ 3.35Å
769	N	86.8	Confident	89.1	Confident	52 Å²	52	52.7 Å²	52.7	28%	0.278	27%	0.265	S	S	.	.	S	Bend	trans	-61.8	128.1	171.2	-175.4	-35.4	0	0	0	110.3	I767 D771 Y772	I767-N769 VanDerWaalsContact C-N 3.27Å; N769-D771 PolarHBondContact O-N 3.46Å; N769-D771 VanDerWaalsContact O-N 3.11Å; N769-D771 WeakPolarHBondContact OD1-CB 3.5Å; N769-D771 PolarHBondContact OD1-N 3.5Å; N769-D771 PolarHBondContact OD1-OD2 2.9Å; N769-Y772 WeakPolarHBondContact O-CB 3.15Å; N769-Y772 PolarHBondContact O-N 3.45Å
770	P	85.4	Confident	88.9	Confident	95 Å²	95	57.4 Å²	57.4	62%	0.617	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-52.8	-31.5	177.2	-29.1	36.4	0	0	0	114.9	Y772 G773	P770-Y772 PolarHBondContact O-N 2.91Å; P770-G773 PolarHBondContact O-N 2.82Å
771	D	84.8	Confident	88.8	Confident	146 Å²	146	58.8 Å²	58.8	78%	0.781	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-63.8	-20.5	176.4	-62.7	-31.2	0	0	0	112.9	N769	N769-D771 PolarHBondContact O-N 3.46Å; N769-D771 VanDerWaalsContact O-N 3.11Å; N769-D771 WeakPolarHBondContact OD1-CB 3.5Å; N769-D771 PolarHBondContact OD1-N 3.5Å; N769-D771 PolarHBondContact OD1-OD2 2.9Å
772	Y	86.6	Confident	88.8	Confident	57 Å²	57	61.1 Å²	61.1	22%	0.224	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-85.1	-18.2	175.4	-154.9	-89.1	0	0	0	112.5	V718 I767 N769 P770 M774 M794 E797	V718-Y772 WeakPolarHBondContact CG1-OH 3.23Å; I767-Y772 HydrophobicContact CG1-CD1 4.41Å; I767-Y772 HydrophobicContact CG1-CE1 4.25Å; I767-Y772 HydrophobicContact CG2-CD1 4.33Å; N769-Y772 WeakPolarHBondContact O-CB 3.15Å; N769-Y772 PolarHBondContact O-N 3.45Å; P770-Y772 PolarHBondContact O-N 2.91Å; Y772-M774 VanDerWaalsContact C-N 3.3Å; Y772-M774 HydrophobicContact CD1-CB 4.42Å; Y772-M774 HydrophobicContact CD1-CG 3.83Å; Y772-M774 HydrophobicContact CD1-SD 3.75Å; Y772-M774 HydrophobicContact CE1-CG 4.02Å; Y772-M774 HydrophobicContact CE1-SD 3.53Å; Y772-M774 VanDerWaalsContact CE1-SD 3.53Å; Y772-M774 PolarHBondContact O-N 3.44Å; Y772-M774 VanDerWaalsContact O-N 3.17Å; Y772-M794 VanDerWaalsContact O-CE 3.29Å; Y772-M794 WeakPolarHBondContact O-CE 3.28Å; Y772-E797 HydrophobicContact CE1-CG 4.32Å
773	G	87.2	Confident	88.8	Confident	10 Å²	10	60.2 Å²	60.2	10%	0.103	30%	0.302	C	S	.	.			trans	73.6	0	166.8	0	0	0	0	0	117.8	P770 N787	P770-G773 PolarHBondContact O-N 2.82Å; G773-N787 WeakPolarHBondContact O-CB 3.25Å; G773-N787 PolarHBondContact O-ND2 2.83Å
774	M	90.5	Very high	88.8	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.312	C	S	.	.	S	Bend	trans	-76.1	-34	-179.1	-80.9	-179.7	69.5	0	0	114.7	I767 Y772 N787 M794 E797 Y798 I801	I767-M774 HydrophobicContact CG2-CB 4.45Å; I767-M774 HydrophobicContact CG2-CE 4Å; I767-M774 HydrophobicContact CG2-SD 3.42Å; I767-M774 WeakPolarHBondContact CG2-SD 3.41Å; Y772-M774 VanDerWaalsContact C-N 3.3Å; Y772-M774 HydrophobicContact CD1-CB 4.42Å; Y772-M774 HydrophobicContact CD1-CG 3.83Å; Y772-M774 HydrophobicContact CD1-SD 3.75Å; Y772-M774 HydrophobicContact CE1-CG 4.02Å; Y772-M774 HydrophobicContact CE1-SD 3.53Å; Y772-M774 VanDerWaalsContact CE1-SD 3.53Å; Y772-M774 PolarHBondContact O-N 3.44Å; Y772-M774 VanDerWaalsContact O-N 3.17Å; M774-N787 WeakPolarHBondContact O-CB 3.44Å; M774-N787 PolarHBondContact O-N 3.39Å; M774-M794 HydrophobicContact CG-CB 4.35Å; M774-M794 HydrophobicContact CG-CG 4.41Å; M774-M794 HydrophobicContact CG-SD 3.62Å; M774-E797 HydrophobicContact CE-CB 3.85Å; M774-E797 WeakPolarHBondContact CE-O 3.2Å; M774-E797 HydrophobicContact SD-CB 3.47Å; M774-E797 WeakPolarHBondContact SD-CB 3.29Å; M774-E797 HydrophobicContact SD-CG 4.43Å; M774-Y798 WeakPolarHBondContact CA-OH 3.17Å; M774-Y798 HydrophobicContact CB-CE1 4.01Å; M774-Y798 HydrophobicContact CE-CD1 3.3Å; M774-Y798 HydrophobicContact CE-CD2 4.4Å; M774-Y798 HydrophobicContact CE-CE1 3.57Å; M774-Y798 HydrophobicContact CE-CG 3.75Å; M774-Y798 HydrophobicContact CG-CE1 4.25Å; M774-Y798 WeakPolarHBondContact O-CE1 3.49Å; M774-Y798 PolarHBondContact O-OH 3.39Å; M774-I801 HydrophobicContact CE-CG1 4.08Å
775	F	91.8	Very high	88.9	Confident	8 Å²	8	63.4 Å²	63.4	4%	0.035	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	144.7	-173.8	-63.1	-77.6	0	0	0	110.9	I767 F768 Y784 W785 F786 Y798 I801 F819	I767-F775 HydrophobicContact CG2-CD2 4.3Å; I767-F775 HydrophobicContact CG2-CE2 4Å; F768-F775 HydrophobicContact CD1-CD2 4.49Å; F768-F775 HydrophobicContact CE2-CE2 4.39Å; F768-F775 HydrophobicContact CZ-CE2 4.47Å; F775-Y784 HydrophobicContact CB-CD1 4.09Å; F775-W785 CarbonylContact C-O 3.4Å; F775-W785 VanDerWaalsContact CA-O 3.27Å; F775-W785 WeakPolarHBondContact CA-O 3.18Å; F775-F786 HydrophobicContact CD1-CD1 4.49Å; F775-F786 AromaticContact CE1-CD1 3.75Å; F775-F786 HydrophobicContact CE1-CD1 3.75Å; F775-F786 AromaticContact CE1-CE1 3.93Å; F775-F786 HydrophobicContact CE1-CE1 3.93Å; F775-F786 HydrophobicContact CE1-CG 4.33Å; F775-F786 HydrophobicContact CZ-CE1 4.47Å; F775-Y798 HydrophobicContact CE1-CD1 4.46Å; F775-Y798 HydrophobicContact CE1-CE1 4.12Å; F775-Y798 HydrophobicContact CE2-CE1 4.47Å; F775-Y798 HydrophobicContact CZ-CD1 4.08Å; F775-Y798 HydrophobicContact CZ-CE1 4.01Å; F775-I801 HydrophobicContact CE2-CG1 4.34Å; F775-I801 HydrophobicContact CZ-CG2 4.36Å; F775-F819 AromaticContact CD1-CE1 3.93Å; F775-F819 HydrophobicContact CD1-CE1 3.93Å; F775-F819 AromaticContact CE1-CE1 3.68Å; F775-F819 HydrophobicContact CE1-CE1 3.68Å; F775-F819 AromaticContact CE1-CZ 3.95Å; F775-F819 HydrophobicContact CE1-CZ 3.95Å; F775-F819 HydrophobicContact CZ-CE1 4.31Å; F775-F819 HydrophobicContact CZ-CZ 4.12Å
776	V	89.9	Confident	89.2	Confident	68 Å²	68	56.5 Å²	56.5	41%	0.412	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124.2	177.1	-178.5	0	0	0	0	108.2	Y784 W785 N787	V776-Y784 CarbonylContact O-C 3.54Å; V776-Y784 WeakPolarHBondContact O-CA 3.34Å; V776-W785 PolarHBondContact N-O 3.09Å; V776-W785 PolarHBondContact O-N 3.21Å; V776-N787 HydrophobicContact CG2-CB 4.06Å
777	L	89.4	Confident	89.2	Confident	62 Å²	62	50.9 Å²	50.9	33%	0.325	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	126.2	171.9	-178.8	62.4	0	0	0	109.7	Y784	L777-Y784 HydrophobicContact CB-CD1 4.07Å; L777-Y784 HydrophobicContact CB-CE1 3.88Å; L777-Y784 HydrophobicContact CD1-CD1 4.31Å; L777-Y784 HydrophobicContact CD1-CD2 4.18Å; L777-Y784 HydrophobicContact CD1-CE1 4.12Å; L777-Y784 HydrophobicContact CD1-CE2 3.99Å; L777-Y784 HydrophobicContact CD1-CG 4.34Å; L777-Y784 HydrophobicContact CG-CE1 4.46Å
778	D	88	Confident	89.2	Confident	34 Å²	34	52.7 Å²	52.7	18%	0.182	27%	0.272	C	S	.	.			trans	-84.3	122.2	171.3	179	82.2	0	0	0	110.3	E780 T781 Q782 N783	D778-E780 VanDerWaalsContact C-N 3.34Å; D778-E780 PolarHBondContact O-N 3.12Å; D778-E780 PolarHBondContact OD2-N 3.15Å; D778-T781 WeakPolarHBondContact CB-OG1 3.11Å; D778-T781 WeakPolarHBondContact OD2-CB 3.5Å; D778-T781 WeakPolarHBondContact OD2-CG2 3.33Å; D778-T781 PolarHBondContact OD2-N 3.36Å; D778-T781 PolarHBondContact OD2-OG1 3.45Å; D778-Q782 VanDerWaalsContact O-CA 3.31Å; D778-Q782 WeakPolarHBondContact O-CA 3.49Å; D778-Q782 PolarHBondContact O-N 2.85Å; D778-N783 WeakPolarHBondContact CB-O 3.49Å; D778-N783 PolarHBondContact N-O 2.85Å
779	E	86.8	Confident	89	Confident	176 Å²	176	54.8 Å²	54.8	82%	0.822	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-30.7	-174.2	-65.4	-171.2	166.3	0	0	113.2	Q782	E779-Q782 PolarHBondContact O-NE2 3.04Å
780	E	88.7	Confident	88.5	Confident	99 Å²	99	54 Å²	54	46%	0.463	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-44.6	-178.6	176.3	171	-133.9	0	0	111.6	D778 P842 S843	D778-E780 VanDerWaalsContact C-N 3.34Å; D778-E780 PolarHBondContact O-N 3.12Å; D778-E780 PolarHBondContact OD2-N 3.15Å; E780-P842 HydrophobicContact CG-CG 4.37Å; E780-P842 WeakPolarHBondContact OE2-CD 3.19Å; E780-S843 WeakPolarHBondContact OE1-CB 3.48Å; E780-S843 PolarHBondContact OE1-N 3.08Å; E780-S843 PolarHBondContact OE1-OG 3.33Å; E780-S843 WeakPolarHBondContact OE2-CB 3.24Å; E780-S843 PolarHBondContact OE2-N 2.91Å; E780-S843 PolarHBondContact OE2-OG 3.08Å
781	T	89.6	Confident	88	Confident	33 Å²	33	53.6 Å²	53.6	20%	0.202	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-15.6	-172.8	61.1	0	0	0	0	114.6	D778 N783 P842	D778-T781 WeakPolarHBondContact CB-OG1 3.11Å; D778-T781 WeakPolarHBondContact OD2-CB 3.5Å; D778-T781 WeakPolarHBondContact OD2-CG2 3.33Å; D778-T781 PolarHBondContact OD2-N 3.36Å; D778-T781 PolarHBondContact OD2-OG1 3.45Å; T781-N783 PolarHBondContact O-N 3.14Å; T781-N783 WeakPolarHBondContact OG1-CB 3.25Å; T781-N783 PolarHBondContact OG1-N 3.47Å; T781-P842 HydrophobicContact CG2-CG 3.76Å
782	Q	88.7	Confident	87.7	Confident	102 Å²	102	51.5 Å²	51.5	48%	0.477	27%	0.265	S	S	.	.			trans	57.2	24.5	-170.4	-57.4	-66.9	-65.4	0	0	113.6	D778 E779 N818	D778-Q782 VanDerWaalsContact O-CA 3.31Å; D778-Q782 WeakPolarHBondContact O-CA 3.49Å; D778-Q782 PolarHBondContact O-N 2.85Å; E779-Q782 PolarHBondContact O-NE2 3.04Å; Q782-N818 PolarHBondContact O-ND2 2.88Å
783	N	90.7	Very high	87.7	Confident	31 Å²	31	54 Å²	54	17%	0.166	28%	0.282	C	S	.	.			trans	-96.6	148.8	172.1	-72.3	-44.4	0	0	0	111	D778 T781 P820	D778-N783 WeakPolarHBondContact CB-O 3.49Å; D778-N783 PolarHBondContact N-O 2.85Å; T781-N783 PolarHBondContact O-N 3.14Å; T781-N783 WeakPolarHBondContact OG1-CB 3.25Å; T781-N783 PolarHBondContact OG1-N 3.47Å; N783-P820 HydrophobicContact CB-CB 4.44Å
784	Y	92.3	Very high	87.8	Confident	52 Å²	52	54.5 Å²	54.5	20%	0.204	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	142.5	170.9	-66.7	-91.4	0	0	0	110.6	F768 F775 V776 L777 N818 F819 P820	F768-Y784 HydrophobicContact CB-CE1 4.18Å; F768-Y784 AromaticContact CD1-CD1 3.84Å; F768-Y784 HydrophobicContact CD1-CD1 3.84Å; F768-Y784 AromaticContact CD1-CD2 3.59Å; F768-Y784 HydrophobicContact CD1-CD2 3.59Å; F768-Y784 HydrophobicContact CD1-CE1 4.15Å; F768-Y784 AromaticContact CD1-CE2 3.92Å; F768-Y784 HydrophobicContact CD1-CE2 3.92Å; F768-Y784 AromaticContact CD1-CG 3.54Å; F768-Y784 HydrophobicContact CD1-CG 3.54Å; F768-Y784 HydrophobicContact CE1-CD2 4.02Å; F768-Y784 AromaticContact CE1-CG 3.99Å; F768-Y784 HydrophobicContact CE1-CG 3.99Å; F768-Y784 WeakPolarHBondContact O-CE1 3.46Å; F775-Y784 HydrophobicContact CB-CD1 4.09Å; V776-Y784 CarbonylContact O-C 3.54Å; V776-Y784 WeakPolarHBondContact O-CA 3.34Å; L777-Y784 HydrophobicContact CB-CD1 4.07Å; L777-Y784 HydrophobicContact CB-CE1 3.88Å; L777-Y784 HydrophobicContact CD1-CD1 4.31Å; L777-Y784 HydrophobicContact CD1-CD2 4.18Å; L777-Y784 HydrophobicContact CD1-CE1 4.12Å; L777-Y784 HydrophobicContact CD1-CE2 3.99Å; L777-Y784 HydrophobicContact CD1-CG 4.34Å; L777-Y784 HydrophobicContact CG-CE1 4.46Å; Y784-N818 HydrophobicContact CD2-CB 4.37Å; Y784-N818 PolarHBondContact N-O 3.38Å; Y784-F819 WeakPolarHBondContact O-CD1 3.4Å; Y784-P820 VanDerWaalsContact O-CD 3.24Å; Y784-P820 WeakPolarHBondContact O-CD 3.25Å
785	W	93.8	Very high	87.8	Confident	26 Å²	26	56.7 Å²	56.7	10%	0.098	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	157.8	169.7	-166	-121.3	0	0	0	110.8	F775 V776 N787 P820 V822 L823 K826 L908 L909 V913	F775-W785 CarbonylContact C-O 3.4Å; F775-W785 VanDerWaalsContact CA-O 3.27Å; F775-W785 WeakPolarHBondContact CA-O 3.18Å; V776-W785 PolarHBondContact N-O 3.09Å; V776-W785 PolarHBondContact O-N 3.21Å; W785-N787 PolarHBondContact O-N 3.39Å; W785-P820 HydrophobicContact CE3-CG 3.57Å; W785-P820 HydrophobicContact CZ3-CG 3.85Å; W785-V822 HydrophobicContact CH2-CG1 3.77Å; W785-V822 HydrophobicContact CZ3-CG1 3.71Å; W785-L823 HydrophobicContact CZ3-CB 4.36Å; W785-K826 HydrophobicContact CH2-CD 4.08Å; W785-L908 PolarHBondContact NE1-O 3.46Å; W785-L909 HydrophobicContact CZ2-CD2 4.21Å; W785-V913 HydrophobicContact CZ2-CG2 4Å
786	F	93.9	Very high	87.7	Confident	1 Å²	1	63 Å²	63	0%	0.004	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	133.9	175.5	-60.7	-86.7	0	0	0	110.3	F775 P788 Y798 L823 V913 Q916 F917 F920	F775-F786 HydrophobicContact CD1-CD1 4.49Å; F775-F786 AromaticContact CE1-CD1 3.75Å; F775-F786 HydrophobicContact CE1-CD1 3.75Å; F775-F786 AromaticContact CE1-CE1 3.93Å; F775-F786 HydrophobicContact CE1-CE1 3.93Å; F775-F786 HydrophobicContact CE1-CG 4.33Å; F775-F786 HydrophobicContact CZ-CE1 4.47Å; F786-P788 VanDerWaalsContact O-CD 3.31Å; F786-P788 WeakPolarHBondContact O-CD 3.38Å; F786-Y798 AromaticContact CD1-CD1 3.83Å; F786-Y798 HydrophobicContact CD1-CD1 3.83Å; F786-Y798 AromaticContact CD1-CE1 3.71Å; F786-Y798 HydrophobicContact CD1-CE1 3.71Å; F786-Y798 HydrophobicContact CE1-CD1 4.07Å; F786-Y798 HydrophobicContact CE1-CE1 4.38Å; F786-L823 HydrophobicContact CE2-CD1 3.73Å; F786-L823 HydrophobicContact CZ-CD1 3.83Å; F786-V913 HydrophobicContact CB-CB 3.95Å; F786-V913 HydrophobicContact CB-CG1 3.79Å; F786-V913 HydrophobicContact CD2-CB 4.46Å; F786-V913 HydrophobicContact CG-CB 4.45Å; F786-Q916 HydrophobicContact CB-CB 4.17Å; F786-Q916 HydrophobicContact CD1-CB 3.82Å; F786-Q916 HydrophobicContact CG-CB 4.25Å; F786-F917 HydrophobicContact CE2-CB 4.29Å; F786-F917 AromaticContact CE2-CD2 3.84Å; F786-F917 HydrophobicContact CE2-CD2 3.84Å; F786-F917 HydrophobicContact CZ-CB 4.34Å; F786-F917 AromaticContact CZ-CD2 3.82Å; F786-F917 HydrophobicContact CZ-CD2 3.82Å; F786-F920 HydrophobicContact CE1-CB 3.85Å; F786-F920 AromaticContact CE1-CD2 3.71Å; F786-F920 HydrophobicContact CE1-CD2 3.71Å; F786-F920 HydrophobicContact CE1-CE2 4.33Å; F786-F920 AromaticContact CE1-CG 3.87Å; F786-F920 HydrophobicContact CE1-CG 3.87Å; F786-F920 HydrophobicContact CZ-CB 4.12Å; F786-F920 HydrophobicContact CZ-CD1 4.18Å; F786-F920 AromaticContact CZ-CD2 3.89Å; F786-F920 HydrophobicContact CZ-CD2 3.89Å; F786-F920 HydrophobicContact CZ-CE2 4.23Å; F786-F920 AromaticContact CZ-CG 3.85Å; F786-F920 HydrophobicContact CZ-CG 3.85Å
787	N	90.9	Very high	87.9	Confident	6 Å²	6	61.5 Å²	61.5	3%	0.032	30%	0.304	C	S	.	.			trans	-66.8	118.6	169.4	179.7	3.4	0	0	0	109.3	G773 M774 V776 W785 V789 P790 P874 Q916	G773-N787 WeakPolarHBondContact O-CB 3.25Å; G773-N787 PolarHBondContact O-ND2 2.83Å; M774-N787 WeakPolarHBondContact O-CB 3.44Å; M774-N787 PolarHBondContact O-N 3.39Å; V776-N787 HydrophobicContact CG2-CB 4.06Å; W785-N787 PolarHBondContact O-N 3.39Å; N787-V789 PolarHBondContact ND2-O 3.29Å; N787-V789 PolarHBondContact O-N 3.4Å; N787-V789 VanDerWaalsContact OD1-C 3.28Å; N787-V789 PolarHBondContact OD1-N 3.36Å; N787-V789 PolarHBondContact OD1-O 2.84Å; N787-P790 WeakPolarHBondContact ND2-CA 3.31Å; N787-P874 VanDerWaalsContact ND2-CG 3.35Å; N787-P874 WeakPolarHBondContact ND2-CG 3.23Å; N787-Q916 PolarHBondContact O-NE2 3.19Å
788	P	88.5	Confident	88.1	Confident	38 Å²	38	58.7 Å²	58.7	25%	0.247	29%	0.289	C	S	.	.	S	Bend	trans	-69.9	-19.2	178.9	29.8	-36.1	0	0	0	113	F786 Y871 S912 V913 Q916	F786-P788 VanDerWaalsContact O-CD 3.31Å; F786-P788 WeakPolarHBondContact O-CD 3.38Å; P788-Y871 HydrophobicContact CG-CD2 4.38Å; P788-Y871 HydrophobicContact CG-CE2 4.24Å; P788-S912 WeakPolarHBondContact CA-O 3.41Å; P788-S912 VanDerWaalsContact CB-O 3.28Å; P788-S912 WeakPolarHBondContact CB-O 3.28Å; P788-V913 HydrophobicContact CB-CG1 4.39Å; P788-Q916 PolarHBondContact O-NE2 3.12Å
789	V	84.7	Confident	88.4	Confident	55 Å²	55	58 Å²	58	33%	0.333	29%	0.287	S	S	.	.	S	Bend	trans	-131.9	75.4	179.7	-171.3	0	0	0	0	109.3	N787 Y871 P874	N787-V789 PolarHBondContact ND2-O 3.29Å; N787-V789 PolarHBondContact O-N 3.4Å; N787-V789 VanDerWaalsContact OD1-C 3.28Å; N787-V789 PolarHBondContact OD1-N 3.36Å; N787-V789 PolarHBondContact OD1-O 2.84Å; V789-Y871 HydrophobicContact CG2-CE2 3.95Å; V789-P874 VanDerWaalsContact O-CG 3.24Å; V789-P874 WeakPolarHBondContact O-CG 3.24Å
790	P	77.1	Confident	88.7	Confident	35 Å²	35	50 Å²	50	23%	0.227	25%	0.249	C	C	.	.			trans	-63.4	152.1	173.1	29.5	-35.2	0	0	0	110.9	N787 M794	N787-P790 WeakPolarHBondContact ND2-CA 3.31Å; P790-M794 HydrophobicContact CB-CG 4.39Å; P790-M794 HydrophobicContact CB-SD 3.78Å
791	L	74.4	Confident	88.9	Confident	87 Å²	87	45.7 Å²	45.7	46%	0.455	23%	0.229	S	C	.	.	S	Bend	trans	-70.5	-36.4	-175	-64	176.9	0	0	0	113.1	P874 F875	L791-P874 HydrophobicContact CD2-CB 4.47Å; L791-F875 HydrophobicContact CD2-CE1 3.94Å; L791-F875 HydrophobicContact CD2-CE2 3.92Å; L791-F875 HydrophobicContact CD2-CZ 3.36Å
792	D	78.7	Confident	89.2	Confident	102 Å²	102	44.1 Å²	44.1	55%	0.545	22%	0.22	S	C	.	.	S	Bend	trans	-129.8	172.3	179.9	-69.3	-66.9	0	0	0	108.3	M794	D792-M794 VanDerWaalsContact C-N 3.33Å; D792-M794 PolarHBondContact O-N 2.93Å
793	D	85.7	Confident	89.5	Confident	109 Å²	109	39.4 Å²	39.4	58%	0.583	20%	0.198	S	C	*	.			trans	-78.6	78.6	-179	-163.9	0.8	0	0	0	113	E795 K915	D793-E795 PolarHBondContact O-N 3.45Å; D793-K915 IonicContact OD1-NZ 3.23Å; D793-K915 PolarHBondContact OD1-NZ 3.32Å; D793-K915 IonicContact OD2-NZ 3.76Å; D793-K915 PolarHBondContact OD2-NZ 2.87Å
794	M	89.3	Confident	89.6	Confident	20 Å²	20	38.1 Å²	38.1	10%	0.099	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	26.1	-173.5	-66.7	168.6	173.8	0	0	114.8	Y772 M774 P790 D792 R796 E797 Y798	Y772-M794 VanDerWaalsContact O-CE 3.29Å; Y772-M794 WeakPolarHBondContact O-CE 3.28Å; M774-M794 HydrophobicContact CG-CB 4.35Å; M774-M794 HydrophobicContact CG-CG 4.41Å; M774-M794 HydrophobicContact CG-SD 3.62Å; P790-M794 HydrophobicContact CB-CG 4.39Å; P790-M794 HydrophobicContact CB-SD 3.78Å; D792-M794 VanDerWaalsContact C-N 3.33Å; D792-M794 PolarHBondContact O-N 2.93Å; M794-R796 VanDerWaalsContact C-N 3.26Å; M794-R796 PolarHBondContact O-N 3.47Å; M794-E797 WeakPolarHBondContact CA-OE2 3.27Å; M794-E797 HydrophobicContact CB-CB 4.38Å; M794-E797 PolarHBondContact O-N 3.33Å; M794-Y798 HydrophobicContact CB-CD2 4.14Å; M794-Y798 HydrophobicContact CB-CE2 3.87Å; M794-Y798 WeakPolarHBondContact O-CD2 3.24Å; M794-Y798 PolarHBondContact O-N 3.31Å
795	E	90.9	Very high	89.8	Confident	47 Å²	47	35.8 Å²	35.8	22%	0.22	18%	0.182	C	C	.	.	H	α-helix	trans	-62.9	-32.4	-175.1	-156.8	-174	135.7	0	0	112.6	D793 C799 K915 A919 R922	D793-E795 PolarHBondContact O-N 3.45Å; E795-C799 WeakPolarHBondContact O-CB 3.31Å; E795-C799 PolarHBondContact O-N 3.05Å; E795-K915 WeakPolarHBondContact OE2-CE 3.3Å; E795-K915 IonicContact OE2-NZ 3.17Å; E795-K915 PolarHBondContact OE2-NZ 3.46Å; E795-A919 HydrophobicContact CG-CB 3.57Å; E795-A919 WeakPolarHBondContact O-CB 3.29Å; E795-R922 IonicContact OE1-CZ 2.83Å; E795-R922 IonicContact OE1-NH1 2.82Å; E795-R922 PolarHBondContact OE1-NH1 3.46Å; E795-R922 IonicContact OE1-NH2 2.84Å; E795-R922 PolarHBondContact OE1-NH2 3.26Å
796	R	91	Very high	89.8	Confident	141 Å²	141	34.6 Å²	34.6	53%	0.532	18%	0.178	S	C	.	.	H	α-helix	trans	-70.9	-39.5	178.5	-64.3	169.4	163.6	-107	-22.6	111	L722 E726 M794 C799 L800	L722-R796 HydrophobicContact CD2-CB 4.12Å; E726-R796 IonicContact OE1-CZ 3.52Å; E726-R796 IonicContact OE1-NH1 3.73Å; E726-R796 PolarHBondContact OE1-NH1 3.42Å; E726-R796 IonicContact OE1-NH2 3.64Å; E726-R796 PolarHBondContact OE1-NH2 3.26Å; E726-R796 IonicContact OE2-CZ 2.76Å; E726-R796 IonicContact OE2-NH1 2.77Å; E726-R796 PolarHBondContact OE2-NH1 3.3Å; E726-R796 IonicContact OE2-NH2 2.94Å; M794-R796 VanDerWaalsContact C-N 3.26Å; M794-R796 PolarHBondContact O-N 3.47Å; R796-C799 WeakPolarHBondContact O-CB 3.46Å; R796-C799 PolarHBondContact O-N 2.9Å; R796-L800 PolarHBondContact O-N 2.81Å
797	E	92.6	Very high	89.8	Confident	35 Å²	35	34.6 Å²	34.6	16%	0.164	18%	0.178	C	C	.	.	H	α-helix	trans	-73.9	-38.8	-177.2	-63	69.9	-165.3	0	0	111.5	L722 Y772 M774 M794 C799 L800 I801	L722-E797 HydrophobicContact CD1-CG 4.22Å; L722-E797 HydrophobicContact CD2-CG 4.44Å; Y772-E797 HydrophobicContact CE1-CG 4.32Å; M774-E797 HydrophobicContact CE-CB 3.85Å; M774-E797 WeakPolarHBondContact CE-O 3.2Å; M774-E797 HydrophobicContact SD-CB 3.47Å; M774-E797 WeakPolarHBondContact SD-CB 3.29Å; M774-E797 HydrophobicContact SD-CG 4.43Å; M794-E797 WeakPolarHBondContact CA-OE2 3.27Å; M794-E797 HydrophobicContact CB-CB 4.38Å; M794-E797 PolarHBondContact O-N 3.33Å; E797-C799 VanDerWaalsContact C-N 3.34Å; E797-L800 WeakPolarHBondContact O-CB 3.32Å; E797-L800 PolarHBondContact O-N 3.04Å; E797-I801 PolarHBondContact O-N 3.49Å; E797-I801 VanDerWaalsContact O-N 3.08Å
798	Y	94.7	Very high	90	Very high	3 Å²	3	34.3 Å²	34.3	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-64.2	-41.2	169.6	-71.8	-62.6	0	0	0	111.3	M774 F775 F786 M794 I801 G802 Q916 F920	M774-Y798 WeakPolarHBondContact CA-OH 3.17Å; M774-Y798 HydrophobicContact CB-CE1 4.01Å; M774-Y798 HydrophobicContact CE-CD1 3.3Å; M774-Y798 HydrophobicContact CE-CD2 4.4Å; M774-Y798 HydrophobicContact CE-CE1 3.57Å; M774-Y798 HydrophobicContact CE-CG 3.75Å; M774-Y798 HydrophobicContact CG-CE1 4.25Å; M774-Y798 WeakPolarHBondContact O-CE1 3.49Å; M774-Y798 PolarHBondContact O-OH 3.39Å; F775-Y798 HydrophobicContact CE1-CD1 4.46Å; F775-Y798 HydrophobicContact CE1-CE1 4.12Å; F775-Y798 HydrophobicContact CE2-CE1 4.47Å; F775-Y798 HydrophobicContact CZ-CD1 4.08Å; F775-Y798 HydrophobicContact CZ-CE1 4.01Å; F786-Y798 AromaticContact CD1-CD1 3.83Å; F786-Y798 HydrophobicContact CD1-CD1 3.83Å; F786-Y798 AromaticContact CD1-CE1 3.71Å; F786-Y798 HydrophobicContact CD1-CE1 3.71Å; F786-Y798 HydrophobicContact CE1-CD1 4.07Å; F786-Y798 HydrophobicContact CE1-CE1 4.38Å; M794-Y798 HydrophobicContact CB-CD2 4.14Å; M794-Y798 HydrophobicContact CB-CE2 3.87Å; M794-Y798 WeakPolarHBondContact O-CD2 3.24Å; M794-Y798 PolarHBondContact O-N 3.31Å; Y798-I801 PolarHBondContact O-N 3.03Å; Y798-G802 PolarHBondContact O-N 3.18Å; Y798-Q916 HydrophobicContact CD1-CB 4.27Å; Y798-Q916 HydrophobicContact CD2-CB 3.84Å; Y798-Q916 HydrophobicContact CD2-CG 3.96Å; Y798-Q916 HydrophobicContact CE1-CB 4.12Å; Y798-Q916 HydrophobicContact CE1-CG 4.43Å; Y798-Q916 HydrophobicContact CE2-CB 3.66Å; Y798-Q916 HydrophobicContact CE2-CG 3.35Å; Y798-Q916 HydrophobicContact CG-CB 4.16Å; Y798-F920 VanDerWaalsContact O-CA 3.31Å; Y798-F920 WeakPolarHBondContact O-CA 3.45Å
799	C	93.7	Very high	90.2	Very high	20 Å²	20	33 Å²	33	14%	0.135	17%	0.168	C	C	.	.	H	α-helix	trans	-60.4	-44.8	174.4	-162.8	0	0	0	0	111.8	E795 R796 E797 I801 G802 T803 A919 G923	E795-C799 WeakPolarHBondContact O-CB 3.31Å; E795-C799 PolarHBondContact O-N 3.05Å; R796-C799 WeakPolarHBondContact O-CB 3.46Å; R796-C799 PolarHBondContact O-N 2.9Å; E797-C799 VanDerWaalsContact C-N 3.34Å; C799-I801 PolarHBondContact O-N 3.08Å; C799-G802 WeakPolarHBondContact O-CA 3.5Å; C799-G802 PolarHBondContact O-N 2.9Å; C799-G802 VanDerWaalsContact O-N 3.16Å; C799-T803 PolarHBondContact O-N 2.89Å; C799-T803 PolarHBondContact O-OG1 2.92Å; C799-A919 VanDerWaalsContact CA-O 3.32Å; C799-A919 WeakPolarHBondContact CA-O 3.22Å; C799-G923 WeakPolarHBondContact O-CA 3.29Å; C799-G923 VanDerWaalsContact SG-CA 3.53Å
800	L	92.4	Very high	90.6	Very high	7 Å²	7	31 Å²	31	4%	0.037	15%	0.154	C	C	.	.	H	α-helix	trans	-51.4	-53.5	171.9	163.5	72	0	0	0	111.9	V718 A721 L722 L725 I763 I767 R796 E797 G802 T803 L804	V718-L800 HydrophobicContact CG1-CD2 3.83Å; A721-L800 HydrophobicContact CB-CD1 4.02Å; L722-L800 HydrophobicContact CD2-CB 3.86Å; L722-L800 HydrophobicContact CD2-CD2 3.98Å; L722-L800 HydrophobicContact CD2-CG 4.43Å; L722-L800 HydrophobicContact CG-CD2 4.03Å; L725-L800 HydrophobicContact CD1-CD1 3.32Å; I763-L800 HydrophobicContact CD1-CD1 4.44Å; I763-L800 HydrophobicContact CD1-CD2 4.45Å; I767-L800 HydrophobicContact CD1-CD2 3.69Å; R796-L800 PolarHBondContact O-N 2.81Å; E797-L800 WeakPolarHBondContact O-CB 3.32Å; E797-L800 PolarHBondContact O-N 3.04Å; L800-G802 VanDerWaalsContact C-N 3.28Å; L800-G802 PolarHBondContact O-N 2.89Å; L800-T803 PolarHBondContact O-N 2.88Å; L800-T803 VanDerWaalsContact O-N 3.14Å; L800-L804 HydrophobicContact CD1-CD1 3.66Å; L800-L804 HydrophobicContact CD1-CD2 4.49Å; L800-L804 HydrophobicContact CD1-CG 3.91Å; L800-L804 HydrophobicContact CD2-CD1 4.49Å; L800-L804 HydrophobicContact CG-CD1 3.78Å; L800-L804 HydrophobicContact CG-CG 4.38Å; L800-L804 VanDerWaalsContact O-CG 3.32Å; L800-L804 WeakPolarHBondContact O-CG 3.37Å; L800-L804 PolarHBondContact O-N 3.2Å
801	I	94.4	Very high	91.3	Very high	9 Å²	9	30.9 Å²	30.9	5%	0.046	15%	0.151	C	C	.	.	H	α-helix	trans	-61.6	-38.6	-179.8	-67.7	-61.7	0	0	0	111.2	I767 M774 F775 E797 Y798 C799 L804 L805 F920	I767-I801 HydrophobicContact CB-CD1 4.04Å; I767-I801 HydrophobicContact CD1-CD1 3.5Å; I767-I801 HydrophobicContact CD1-CG1 4.16Å; I767-I801 HydrophobicContact CG1-CD1 4.37Å; I767-I801 HydrophobicContact CG2-CD1 3.72Å; I767-I801 HydrophobicContact CG2-CG1 3.81Å; M774-I801 HydrophobicContact CE-CG1 4.08Å; F775-I801 HydrophobicContact CE2-CG1 4.34Å; F775-I801 HydrophobicContact CZ-CG2 4.36Å; E797-I801 PolarHBondContact O-N 3.49Å; E797-I801 VanDerWaalsContact O-N 3.08Å; Y798-I801 PolarHBondContact O-N 3.03Å; C799-I801 PolarHBondContact O-N 3.08Å; I801-L804 HydrophobicContact CD1-CD1 4.1Å; I801-L804 PolarHBondContact O-N 3.38Å; I801-L805 WeakPolarHBondContact O-CB 3.32Å; I801-L805 PolarHBondContact O-N 3.47Å; I801-F920 HydrophobicContact CB-CD2 4.31Å; I801-F920 HydrophobicContact CB-CE2 4.39Å; I801-F920 HydrophobicContact CG2-CD2 3.88Å; I801-F920 HydrophobicContact CG2-CE2 3.49Å; I801-F920 VanDerWaalsContact CG2-CE2 3.49Å
802	G	95.4	Very high	92	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57	-49.8	171.9	0	0	0	0	0	112.7	Y798 C799 L800 L805 G806 F920 G923 F924	Y798-G802 PolarHBondContact O-N 3.18Å; C799-G802 WeakPolarHBondContact O-CA 3.5Å; C799-G802 PolarHBondContact O-N 2.9Å; C799-G802 VanDerWaalsContact O-N 3.16Å; L800-G802 VanDerWaalsContact C-N 3.28Å; L800-G802 PolarHBondContact O-N 2.89Å; G802-L805 WeakPolarHBondContact O-CB 3.42Å; G802-L805 PolarHBondContact O-N 2.91Å; G802-G806 PolarHBondContact O-N 3.17Å; G802-F920 VanDerWaalsContact CA-O 3.27Å; G802-F920 WeakPolarHBondContact CA-O 3.43Å; G802-G923 VanDerWaalsContact C-C 3.43Å; G802-F924 VanDerWaalsContact C-N 3.29Å; G802-F924 VanDerWaalsContact O-CA 3.22Å; G802-F924 WeakPolarHBondContact O-CA 3.36Å; G802-F924 PolarHBondContact O-N 3.19Å
803	T	94.3	Very high	92.5	Very high	4 Å²	4	27.3 Å²	27.3	3%	0.025	13%	0.133	C	C	.	.	H	α-helix	trans	-64.8	-39.5	178.4	-63.1	0	0	0	0	112.1	L725 F736 C799 L800 G806 L807 G923 V927	L725-T803 HydrophobicContact CD1-CG2 4.36Å; L725-T803 HydrophobicContact CD2-CG2 4.11Å; F736-T803 HydrophobicContact CD1-CG2 4.45Å; F736-T803 HydrophobicContact CE1-CG2 4.3Å; C799-T803 PolarHBondContact O-N 2.89Å; C799-T803 PolarHBondContact O-OG1 2.92Å; L800-T803 PolarHBondContact O-N 2.88Å; L800-T803 VanDerWaalsContact O-N 3.14Å; T803-G806 PolarHBondContact O-N 3.04Å; T803-L807 HydrophobicContact CG2-CD1 3.93Å; T803-L807 HydrophobicContact CG2-CG 4.37Å; T803-L807 WeakPolarHBondContact O-CB 3.4Å; T803-L807 VanDerWaalsContact O-CG 3.3Å; T803-L807 WeakPolarHBondContact O-CG 3.47Å; T803-L807 PolarHBondContact O-N 2.8Å; T803-G923 WeakPolarHBondContact CA-O 3.43Å; T803-G923 VanDerWaalsContact N-C 3.3Å; T803-G923 PolarHBondContact N-O 2.76Å; T803-G923 VanDerWaalsContact OG1-C 3.28Å; T803-G923 WeakPolarHBondContact OG1-CA 3.33Å; T803-G923 PolarHBondContact OG1-O 3.3Å; T803-V927 HydrophobicContact CG2-CG2 3.83Å
804	L	94	Very high	92.8	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.016	12%	0.116	C	C	.	.	H	α-helix	trans	-63.4	-43	174.2	-70.1	168.5	0	0	0	111.9	F759 F760 I763 L800 I801 G806 L807 A808	F759-L804 HydrophobicContact CE1-CD2 3.6Å; F759-L804 HydrophobicContact CZ-CD2 3.85Å; F760-L804 HydrophobicContact CD1-CD2 4.31Å; F760-L804 HydrophobicContact CE1-CB 4.1Å; F760-L804 HydrophobicContact CE1-CD2 3.84Å; F760-L804 WeakPolarHBondContact CE1-O 3.37Å; I763-L804 HydrophobicContact CD1-CD1 3.79Å; I763-L804 HydrophobicContact CG1-CD1 4.1Å; I763-L804 HydrophobicContact CG2-CD1 3.84Å; L800-L804 HydrophobicContact CD1-CD1 3.66Å; L800-L804 HydrophobicContact CD1-CD2 4.49Å; L800-L804 HydrophobicContact CD1-CG 3.91Å; L800-L804 HydrophobicContact CD2-CD1 4.49Å; L800-L804 HydrophobicContact CG-CD1 3.78Å; L800-L804 HydrophobicContact CG-CG 4.38Å; L800-L804 VanDerWaalsContact O-CG 3.32Å; L800-L804 WeakPolarHBondContact O-CG 3.37Å; L800-L804 PolarHBondContact O-N 3.2Å; I801-L804 HydrophobicContact CD1-CD1 4.1Å; I801-L804 PolarHBondContact O-N 3.38Å; L804-G806 VanDerWaalsContact C-N 3.31Å; L804-G806 PolarHBondContact O-N 3.22Å; L804-L807 PolarHBondContact O-N 2.83Å; L804-A808 VanDerWaalsContact O-CB 3.32Å; L804-A808 WeakPolarHBondContact O-CB 3.32Å; L804-A808 PolarHBondContact O-N 3.27Å
805	L	95.3	Very high	92.8	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.021	11%	0.113	C	C	.	.	H	α-helix	trans	-60.4	-42.1	175.2	-178.1	64.9	0	0	0	111.6	I801 G802 I809 L815 L827 F920 F924 V946	I801-L805 WeakPolarHBondContact O-CB 3.32Å; I801-L805 PolarHBondContact O-N 3.47Å; G802-L805 WeakPolarHBondContact O-CB 3.42Å; G802-L805 PolarHBondContact O-N 2.91Å; L805-I809 WeakPolarHBondContact O-CG1 3.46Å; L805-I809 PolarHBondContact O-N 2.93Å; L805-L815 HydrophobicContact CD1-CD1 3.83Å; L805-L827 HydrophobicContact CD2-CD1 3.84Å; L805-F920 HydrophobicContact CD2-CE1 3.93Å; L805-F920 HydrophobicContact CD2-CZ 3.67Å; L805-F924 HydrophobicContact CB-CD2 4.19Å; L805-F924 HydrophobicContact CD2-CD2 3.89Å; L805-F924 HydrophobicContact CD2-CE2 3.98Å; L805-F924 HydrophobicContact CG-CD2 3.93Å; L805-F924 HydrophobicContact CG-CE2 3.93Å; L805-V946 HydrophobicContact CD1-CB 4.21Å; L805-V946 HydrophobicContact CD1-CG1 3.48Å; L805-V946 VanDerWaalsContact CD1-CG1 3.48Å; L805-V946 HydrophobicContact CD1-CG2 3.63Å
806	G	94.6	Very high	92.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.7	-45.5	174.1	0	0	0	0	0	113	G802 T803 L804 A808 I809 Y810	G802-G806 PolarHBondContact O-N 3.17Å; T803-G806 PolarHBondContact O-N 3.04Å; L804-G806 VanDerWaalsContact C-N 3.31Å; L804-G806 PolarHBondContact O-N 3.22Å; G806-A808 VanDerWaalsContact C-N 3.33Å; G806-A808 PolarHBondContact O-N 3.45Å; G806-I809 PolarHBondContact O-N 2.89Å; G806-Y810 VanDerWaalsContact O-CB 3.29Å; G806-Y810 WeakPolarHBondContact O-CB 3.4Å; G806-Y810 PolarHBondContact O-N 3Å
807	L	94.3	Very high	92.5	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-64.4	-36.3	178.2	-74.6	167.6	0	0	0	112.1	F708 L725 F736 F760 T803 L804 Y810 N811 V927	F708-L807 HydrophobicContact CD1-CD2 4.37Å; F708-L807 HydrophobicContact CE1-CD1 4.37Å; L725-L807 HydrophobicContact CD2-CD1 4.07Å; F736-L807 HydrophobicContact CB-CD2 4.46Å; F760-L807 HydrophobicContact CZ-CB 4.07Å; T803-L807 HydrophobicContact CG2-CD1 3.93Å; T803-L807 HydrophobicContact CG2-CG 4.37Å; T803-L807 WeakPolarHBondContact O-CB 3.4Å; T803-L807 VanDerWaalsContact O-CG 3.3Å; T803-L807 WeakPolarHBondContact O-CG 3.47Å; T803-L807 PolarHBondContact O-N 2.8Å; L804-L807 PolarHBondContact O-N 2.83Å; L807-Y810 PolarHBondContact O-N 2.87Å; L807-N811 WeakPolarHBondContact O-CB 3.43Å; L807-N811 PolarHBondContact O-N 2.86Å; L807-N811 PolarHBondContact O-ND2 3.37Å; L807-V927 HydrophobicContact CD2-CG1 4.11Å; L807-V927 HydrophobicContact CG-CG1 4.29Å; L807-V927 HydrophobicContact CG-CG2 4.22Å
808	A	93.9	Very high	92.2	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.008	10%	0.1	C	C	.	.	H	α-helix	trans	-63.2	-51.7	176.9	0	0	0	0	0	111.3	F760 L804 G806 Y810 N811 D812 V813 L815	F760-A808 HydrophobicContact CD1-CB 4.46Å; F760-A808 HydrophobicContact CE1-CB 4.02Å; F760-A808 HydrophobicContact CZ-CB 4.07Å; L804-A808 VanDerWaalsContact O-CB 3.32Å; L804-A808 WeakPolarHBondContact O-CB 3.32Å; L804-A808 PolarHBondContact O-N 3.27Å; G806-A808 VanDerWaalsContact C-N 3.33Å; G806-A808 PolarHBondContact O-N 3.45Å; A808-Y810 VanDerWaalsContact C-N 3.26Å; A808-Y810 PolarHBondContact O-N 2.99Å; A808-N811 CarbonylContact O-C 3.45Å; A808-N811 PolarHBondContact O-N 3.33Å; A808-D812 PolarHBondContact O-N 3.24Å; A808-D812 VanDerWaalsContact O-N 3.08Å; A808-V813 CarbonylContact C-O 3.54Å; A808-V813 HydrophobicContact CB-CB 4.4Å; A808-V813 WeakPolarHBondContact CB-O 3.42Å; A808-V813 PolarHBondContact O-N 3.39Å; A808-L815 HydrophobicContact CB-CD1 3.69Å; A808-L815 HydrophobicContact CB-CD2 3.62Å; A808-L815 HydrophobicContact CB-CG 3.69Å
809	I	93.8	Very high	92.2	Very high	11 Å²	11	18.5 Å²	18.5	6%	0.056	10%	0.1	C	C	.	.	H	α-helix	trans	-58.1	-40.2	172.9	-65.6	174.2	0	0	0	111.2	L678 N682 L805 G806 N811 F924 L933 L942 L945 V946	L678-I809 HydrophobicContact CD2-CG2 3.9Å; N682-I809 PolarHBondContact ND2-O 3.06Å; L805-I809 WeakPolarHBondContact O-CG1 3.46Å; L805-I809 PolarHBondContact O-N 2.93Å; G806-I809 PolarHBondContact O-N 2.89Å; I809-N811 VanDerWaalsContact C-N 3.34Å; I809-N811 PolarHBondContact O-N 3.2Å; I809-F924 HydrophobicContact CD1-CE2 3.91Å; I809-F924 HydrophobicContact CD1-CZ 4.28Å; I809-L933 HydrophobicContact CD1-CD2 4.11Å; I809-L933 HydrophobicContact CG2-CD1 4.04Å; I809-L933 HydrophobicContact CG2-CD2 4.39Å; I809-L942 HydrophobicContact CD1-CD1 3.87Å; I809-L945 HydrophobicContact CG1-CD2 4.46Å; I809-L945 HydrophobicContact CG2-CD2 3.84Å; I809-V946 HydrophobicContact CD1-CG2 3.75Å; I809-V946 HydrophobicContact CG1-CG2 4.05Å
810	Y	92.7	Very high	92.2	Very high	12 Å²	12	17.9 Å²	17.9	5%	0.047	10%	0.095	C	C	.	.	H	α-helix	trans	-68.8	-31.9	-176.8	-167.1	-109.5	0	0	0	113.2	N682 R685 M686 K737 G806 L807 A808 V927	N682-Y810 HydrophobicContact CB-CD2 3.84Å; N682-Y810 HydrophobicContact CB-CE2 3.78Å; N682-Y810 VanDerWaalsContact CG-CD2 3.47Å; N682-Y810 PolarHBondContact ND2-O 3.46Å; R685-Y810 WeakPolarHBondContact CB-OH 3.35Å; M686-Y810 HydrophobicContact CE-CD1 3.45Å; M686-Y810 VanDerWaalsContact CE-CD1 3.45Å; M686-Y810 HydrophobicContact CE-CE1 3.43Å; M686-Y810 VanDerWaalsContact CE-CE1 3.43Å; M686-Y810 HydrophobicContact CE-CG 4.27Å; M686-Y810 WeakPolarHBondContact CE-O 3.36Å; M686-Y810 HydrophobicContact CG-CE1 3.69Å; M686-Y810 HydrophobicContact SD-CE1 4.45Å; K737-Y810 VanDerWaalsContact O-CE1 3.25Å; K737-Y810 WeakPolarHBondContact O-CE1 3.47Å; K737-Y810 PolarHBondContact O-OH 3.08Å; G806-Y810 VanDerWaalsContact O-CB 3.29Å; G806-Y810 WeakPolarHBondContact O-CB 3.4Å; G806-Y810 PolarHBondContact O-N 3Å; L807-Y810 PolarHBondContact O-N 2.87Å; A808-Y810 VanDerWaalsContact C-N 3.26Å; A808-Y810 PolarHBondContact O-N 2.99Å; Y810-V927 HydrophobicContact CG-CG1 4.45Å
811	N	90.9	Very high	92.3	Very high	32 Å²	32	19.5 Å²	19.5	17%	0.171	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	15	-179	-63.2	-91.8	0	0	0	113.8	M686 L740 L807 A808 I809 V813	M686-N811 HydrophobicContact CE-CB 4.48Å; M686-N811 VanDerWaalsContact CE-OD1 3.23Å; M686-N811 WeakPolarHBondContact CE-OD1 3.39Å; L740-N811 WeakPolarHBondContact CB-OD1 3.45Å; L740-N811 PolarHBondContact N-OD1 3Å; L807-N811 WeakPolarHBondContact O-CB 3.43Å; L807-N811 PolarHBondContact O-N 2.86Å; L807-N811 PolarHBondContact O-ND2 3.37Å; A808-N811 CarbonylContact O-C 3.45Å; A808-N811 PolarHBondContact O-N 3.33Å; I809-N811 VanDerWaalsContact C-N 3.34Å; I809-N811 PolarHBondContact O-N 3.2Å; N811-V813 VanDerWaalsContact C-N 3.33Å; N811-V813 HydrophobicContact CB-CG2 4.39Å; N811-V813 PolarHBondContact O-N 2.83Å
812	D	89.9	Confident	92.4	Very high	93 Å²	93	19.3 Å²	19.3	50%	0.497	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	38.3	180	-157.8	39	0	0	0	114.3	Y679 A808	Y679-D812 HydrophobicContact CD2-CB 4.03Å; A808-D812 PolarHBondContact O-N 3.24Å; A808-D812 VanDerWaalsContact O-N 3.08Å
813	V	90	Very high	92.5	Very high	21 Å²	21	19.3 Å²	19.3	13%	0.127	11%	0.106	C	C	.	.			trans	-102.7	128.2	175.8	-172.6	0	0	0	0	110.5	F760 A808 N811 L815	F760-V813 HydrophobicContact CD2-CB 4.12Å; F760-V813 HydrophobicContact CD2-CG1 3.73Å; F760-V813 HydrophobicContact CD2-CG2 4.25Å; F760-V813 HydrophobicContact CE2-CB 4.19Å; F760-V813 HydrophobicContact CE2-CG1 4.31Å; F760-V813 HydrophobicContact CE2-CG2 4.1Å; F760-V813 HydrophobicContact CG-CG1 4.35Å; A808-V813 CarbonylContact C-O 3.54Å; A808-V813 HydrophobicContact CB-CB 4.4Å; A808-V813 WeakPolarHBondContact CB-O 3.42Å; A808-V813 PolarHBondContact O-N 3.39Å; N811-V813 VanDerWaalsContact C-N 3.33Å; N811-V813 HydrophobicContact CB-CG2 4.39Å; N811-V813 PolarHBondContact O-N 2.83Å; V813-L815 HydrophobicContact CG1-CD2 4.49Å
814	I	90.2	Very high	92.6	Very high	42 Å²	42	19.1 Å²	19.1	22%	0.215	11%	0.105	C	C	.	.			trans	-91.3	135.9	178.1	-58.4	169.8	0	0	0	109.9	R947 R1000 P1002	I814-R947 WeakPolarHBondContact CG2-O 3.43Å; I814-R1000 HydrophobicContact CB-CB 4.41Å; I814-R1000 HydrophobicContact CG2-CB 3.79Å; I814-R1000 HydrophobicContact CG2-CG 3.93Å; I814-P1002 HydrophobicContact CD1-CB 4.21Å
815	L	90.6	Very high	92.6	Very high	7 Å²	7	19.7 Å²	19.7	4%	0.037	11%	0.107	C	C	.	.			trans	-105.3	149.3	-173.1	-58	-172.8	0	0	0	113.2	F760 I764 L805 A808 V813 V817 V946	F760-L815 HydrophobicContact CB-CD2 3.81Å; F760-L815 HydrophobicContact CD1-CD2 3.82Å; F760-L815 HydrophobicContact CG-CD2 3.86Å; I764-L815 HydrophobicContact CD1-CB 3.93Å; I764-L815 HydrophobicContact CD1-CD1 4.02Å; I764-L815 HydrophobicContact CD1-CD2 3.74Å; I764-L815 HydrophobicContact CD1-CG 4.1Å; L805-L815 HydrophobicContact CD1-CD1 3.83Å; A808-L815 HydrophobicContact CB-CD1 3.69Å; A808-L815 HydrophobicContact CB-CD2 3.62Å; A808-L815 HydrophobicContact CB-CG 3.69Å; V813-L815 HydrophobicContact CG1-CD2 4.49Å; L815-V817 VanDerWaalsContact C-N 3.32Å; L815-V817 HydrophobicContact CB-CG1 4.2Å; L815-V817 HydrophobicContact CB-CG2 3.99Å; L815-V817 PolarHBondContact O-N 3.09Å; L815-V946 PolarHBondContact N-O 3.14Å
816	D	84.9	Confident	92.7	Very high	77 Å²	77	19.8 Å²	19.8	41%	0.412	11%	0.108	S	C	.	.			trans	-88.6	68.4	167.8	-165.5	-3.7	0	0	0	110.9	I764 R1000	I764-D816 WeakPolarHBondContact CG2-O 3.23Å; D816-R1000 VanDerWaalsContact CG-NH1 3.27Å; D816-R1000 IonicContact OD1-CZ 2.66Å; D816-R1000 IonicContact OD1-NH1 3.34Å; D816-R1000 PolarHBondContact OD1-NH1 3.29Å; D816-R1000 IonicContact OD1-NH2 3.4Å; D816-R1000 PolarHBondContact OD1-NH2 2.88Å; D816-R1000 IonicContact OD2-CZ 2.74Å; D816-R1000 IonicContact OD2-NH1 3.11Å; D816-R1000 IonicContact OD2-NH2 2.72Å; D816-R1000 PolarHBondContact OD2-NH2 2.82Å
817	V	89.2	Confident	92.8	Very high	4 Å²	4	20 Å²	20	2%	0.024	11%	0.109	C	C	.	.			trans	-121.7	112.8	177.3	-63	0	0	0	0	110.9	I764 F768 L815 F819 V946 R947	I764-V817 HydrophobicContact CD1-CG1 3.91Å; I764-V817 HydrophobicContact CG1-CG1 4.33Å; I764-V817 HydrophobicContact CG2-CG1 3.94Å; F768-V817 HydrophobicContact CE1-CB 4.37Å; F768-V817 HydrophobicContact CE1-CG1 4.24Å; F768-V817 HydrophobicContact CE2-CG1 3.84Å; F768-V817 HydrophobicContact CZ-CB 3.97Å; F768-V817 HydrophobicContact CZ-CG1 3.48Å; F768-V817 VanDerWaalsContact CZ-CG1 3.48Å; L815-V817 VanDerWaalsContact C-N 3.32Å; L815-V817 HydrophobicContact CB-CG1 4.2Å; L815-V817 HydrophobicContact CB-CG2 3.99Å; L815-V817 PolarHBondContact O-N 3.09Å; V817-F819 HydrophobicContact CB-CD2 3.84Å; V817-F819 HydrophobicContact CB-CE2 3.81Å; V817-F819 HydrophobicContact CG1-CE2 4.28Å; V817-F819 HydrophobicContact CG2-CD2 3.93Å; V817-F819 HydrophobicContact CG2-CE2 4.11Å; V817-F819 PolarHBondContact O-N 3.16Å; V817-V946 HydrophobicContact CG2-CG1 3.54Å; V817-R947 WeakPolarHBondContact O-CD 3.29Å
818	N	87.9	Confident	92.7	Very high	38 Å²	38	21.2 Å²	21.2	20%	0.203	12%	0.116	C	C	.	.			trans	-91.7	97.7	172.3	-67.5	-16.3	0	0	0	109	Q782 Y784 R947	Q782-N818 PolarHBondContact O-ND2 2.88Å; Y784-N818 HydrophobicContact CD2-CB 4.37Å; Y784-N818 PolarHBondContact N-O 3.38Å; N818-R947 PolarHBondContact OD1-NH1 3.17Å
819	F	94	Very high	92.6	Very high	3 Å²	3	21.4 Å²	21.4	1%	0.013	12%	0.118	C	C	.	.			trans	-115.4	143.7	172.4	-71.9	-65.3	0	0	0	109.8	F768 F775 Y784 V817 L823 Y824 F920	F768-F819 AromaticContact CE1-CE1 3.95Å; F768-F819 HydrophobicContact CE1-CE1 3.95Å; F768-F819 HydrophobicContact CE1-CE2 4.17Å; F768-F819 AromaticContact CE1-CZ 3.68Å; F768-F819 HydrophobicContact CE1-CZ 3.68Å; F768-F819 HydrophobicContact CE2-CZ 4.5Å; F768-F819 HydrophobicContact CZ-CE1 4.09Å; F768-F819 AromaticContact CZ-CE2 3.7Å; F768-F819 HydrophobicContact CZ-CE2 3.7Å; F768-F819 AromaticContact CZ-CZ 3.35Å; F768-F819 HydrophobicContact CZ-CZ 3.35Å; F775-F819 AromaticContact CD1-CE1 3.93Å; F775-F819 HydrophobicContact CD1-CE1 3.93Å; F775-F819 AromaticContact CE1-CE1 3.68Å; F775-F819 HydrophobicContact CE1-CE1 3.68Å; F775-F819 AromaticContact CE1-CZ 3.95Å; F775-F819 HydrophobicContact CE1-CZ 3.95Å; F775-F819 HydrophobicContact CZ-CE1 4.31Å; F775-F819 HydrophobicContact CZ-CZ 4.12Å; Y784-F819 WeakPolarHBondContact O-CD1 3.4Å; V817-F819 HydrophobicContact CB-CD2 3.84Å; V817-F819 HydrophobicContact CB-CE2 3.81Å; V817-F819 HydrophobicContact CG1-CE2 4.28Å; V817-F819 HydrophobicContact CG2-CD2 3.93Å; V817-F819 HydrophobicContact CG2-CE2 4.11Å; V817-F819 PolarHBondContact O-N 3.16Å; F819-L823 HydrophobicContact CB-CB 4.15Å; F819-L823 HydrophobicContact CB-CD2 3.49Å; F819-L823 VanDerWaalsContact CB-CD2 3.49Å; F819-L823 HydrophobicContact CB-CG 4.46Å; F819-L823 HydrophobicContact CD1-CD2 3.81Å; F819-L823 HydrophobicContact CD2-CD2 3.3Å; F819-L823 HydrophobicContact CE1-CD2 4.28Å; F819-L823 HydrophobicContact CE2-CD2 3.81Å; F819-L823 HydrophobicContact CG-CD2 3.28Å; F819-L823 HydrophobicContact CZ-CD2 4.27Å; F819-Y824 HydrophobicContact CB-CE2 4.41Å; F819-F920 HydrophobicContact CE2-CE2 4.44Å; F819-F920 HydrophobicContact CE2-CZ 4.42Å; F819-F920 HydrophobicContact CZ-CE2 4.16Å
820	P	94.4	Very high	92.7	Very high	6 Å²	6	21.7 Å²	21.7	4%	0.039	12%	0.119	C	C	.	.			trans	-67.6	146.7	176.5	30.9	-33	0	0	0	110.1	N783 Y784 W785 V822 L823 A840	N783-P820 HydrophobicContact CB-CB 4.44Å; Y784-P820 VanDerWaalsContact O-CD 3.24Å; Y784-P820 WeakPolarHBondContact O-CD 3.25Å; W785-P820 HydrophobicContact CE3-CG 3.57Å; W785-P820 HydrophobicContact CZ3-CG 3.85Å; P820-V822 HydrophobicContact CB-CG1 4.13Å; P820-V822 HydrophobicContact CG-CG1 3.88Å; P820-V822 PolarHBondContact O-N 2.94Å; P820-L823 WeakPolarHBondContact O-CB 3.3Å; P820-L823 PolarHBondContact O-N 2.72Å; P820-A840 HydrophobicContact CB-CB 3.86Å; P820-A840 HydrophobicContact CG-CB 4.28Å
821	S	93.4	Very high	92.9	Very high	42 Å²	42	21.9 Å²	21.9	29%	0.294	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.3	-166.3	-48.6	0	0	0	0	114.7	L823 Y824 R825 E943	S821-L823 PolarHBondContact O-N 2.88Å; S821-Y824 PolarHBondContact O-N 3.38Å; S821-Y824 VanDerWaalsContact O-N 3.16Å; S821-R825 PolarHBondContact O-N 2.93Å; S821-E943 WeakPolarHBondContact CB-OE2 3.42Å; S821-E943 PolarHBondContact OG-OE2 2.86Å
822	V	96.5	Very high	93.2	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.024	12%	0.115	C	C	.	.	H	α-helix	trans	-54.4	-30.1	169	68.3	0	0	0	0	113.6	W785 P820 R825 K826 D836 A840 L909	W785-V822 HydrophobicContact CH2-CG1 3.77Å; W785-V822 HydrophobicContact CZ3-CG1 3.71Å; P820-V822 HydrophobicContact CB-CG1 4.13Å; P820-V822 HydrophobicContact CG-CG1 3.88Å; P820-V822 PolarHBondContact O-N 2.94Å; V822-R825 PolarHBondContact O-N 3.49Å; V822-K826 HydrophobicContact CG2-CD 4.29Å; V822-K826 HydrophobicContact CG2-CG 4.39Å; V822-K826 VanDerWaalsContact O-CG 3.31Å; V822-K826 WeakPolarHBondContact O-CG 3.16Å; V822-K826 PolarHBondContact O-N 2.92Å; V822-D836 HydrophobicContact CB-CB 3.94Å; V822-D836 HydrophobicContact CG2-CB 3.65Å; V822-A840 HydrophobicContact CG1-CB 4.28Å; V822-L909 HydrophobicContact CG1-CD2 4.23Å; V822-L909 HydrophobicContact CG2-CD1 4.41Å; V822-L909 HydrophobicContact CG2-CD2 4.36Å
823	L	97.3	Very high	93.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60	-49.7	175.1	176.9	67.8	0	0	0	110.9	W785 F786 F819 P820 S821 R825 K826 L827 F917 F920	W785-L823 HydrophobicContact CZ3-CB 4.36Å; F786-L823 HydrophobicContact CE2-CD1 3.73Å; F786-L823 HydrophobicContact CZ-CD1 3.83Å; F819-L823 HydrophobicContact CB-CB 4.15Å; F819-L823 HydrophobicContact CB-CD2 3.49Å; F819-L823 VanDerWaalsContact CB-CD2 3.49Å; F819-L823 HydrophobicContact CB-CG 4.46Å; F819-L823 HydrophobicContact CD1-CD2 3.81Å; F819-L823 HydrophobicContact CD2-CD2 3.3Å; F819-L823 HydrophobicContact CE1-CD2 4.28Å; F819-L823 HydrophobicContact CE2-CD2 3.81Å; F819-L823 HydrophobicContact CG-CD2 3.28Å; F819-L823 HydrophobicContact CZ-CD2 4.27Å; P820-L823 WeakPolarHBondContact O-CB 3.3Å; P820-L823 PolarHBondContact O-N 2.72Å; S821-L823 PolarHBondContact O-N 2.88Å; L823-R825 VanDerWaalsContact C-N 3.29Å; L823-R825 PolarHBondContact O-N 3.4Å; L823-K826 CarbonylContact O-C 3.6Å; L823-K826 PolarHBondContact O-N 3.22Å; L823-K826 VanDerWaalsContact O-N 3.14Å; L823-L827 HydrophobicContact CG-CD1 4.47Å; L823-L827 PolarHBondContact O-N 3.41Å; L823-F917 HydrophobicContact CD1-CD2 4.21Å; L823-F917 HydrophobicContact CD1-CE2 4.01Å; L823-F920 HydrophobicContact CD1-CD1 4.48Å; L823-F920 HydrophobicContact CD1-CE1 3.86Å; L823-F920 HydrophobicContact CD1-CZ 4.1Å; L823-F920 HydrophobicContact CD2-CE1 4.31Å; L823-F920 HydrophobicContact CD2-CZ 3.88Å; L823-F920 HydrophobicContact CG-CE1 4.46Å; L823-F920 HydrophobicContact CG-CZ 4.5Å
824	Y	96.2	Very high	93.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-69	-31.7	-178.2	-48.1	-74.1	0	0	0	111	F819 S821 L827 V828 P939 L942 E943 V946	F819-Y824 HydrophobicContact CB-CE2 4.41Å; S821-Y824 PolarHBondContact O-N 3.38Å; S821-Y824 VanDerWaalsContact O-N 3.16Å; Y824-L827 HydrophobicContact CD1-CD1 4.42Å; Y824-L827 PolarHBondContact O-N 2.94Å; Y824-V828 PolarHBondContact O-N 2.97Å; Y824-P939 WeakPolarHBondContact CB-O 3.45Å; Y824-L942 HydrophobicContact CD1-CD2 4.41Å; Y824-L942 HydrophobicContact CD1-CG 4.09Å; Y824-E943 HydrophobicContact CD2-CB 3.54Å; Y824-E943 HydrophobicContact CD2-CG 3.97Å; Y824-E943 HydrophobicContact CE2-CB 3.53Å; Y824-E943 HydrophobicContact CE2-CG 3.42Å; Y824-E943 VanDerWaalsContact CE2-CG 3.42Å; Y824-E943 HydrophobicContact CG-CB 4.09Å; Y824-V946 HydrophobicContact CE1-CB 4.14Å; Y824-V946 HydrophobicContact CE1-CG1 4.23Å; Y824-V946 HydrophobicContact CE1-CG2 4.12Å
825	R	95.7	Very high	94	Very high	15 Å²	15	19.1 Å²	19.1	6%	0.057	10%	0.104	C	C	.	.	H	α-helix	trans	-64.2	-45.1	169.5	-172.7	161.3	176.6	-68.1	-7.6	110.7	D572 E580 R624 S821 V822 L823 L827 V828 K830 L831 P939	D572-R825 IonicContact OD1-NH2 3.82Å; D572-R825 PolarHBondContact OD1-NH2 3.07Å; D572-R825 IonicContact OD2-CZ 3.74Å; D572-R825 IonicContact OD2-NH2 3.61Å; D572-R825 PolarHBondContact OD2-NH2 3.12Å; E580-R825 IonicContact OE1-CZ 2.68Å; E580-R825 IonicContact OE1-NH1 2.72Å; E580-R825 IonicContact OE1-NH2 3.69Å; E580-R825 PolarHBondContact OE1-NH2 3.4Å; R624-R825 VanDerWaalsContact CZ-NE 3.35Å; S821-R825 PolarHBondContact O-N 2.93Å; V822-R825 PolarHBondContact O-N 3.49Å; L823-R825 VanDerWaalsContact C-N 3.29Å; L823-R825 PolarHBondContact O-N 3.4Å; R825-L827 PolarHBondContact O-N 3.17Å; R825-V828 WeakPolarHBondContact O-CG2 2.93Å; R825-V828 PolarHBondContact O-N 3.47Å; R825-K830 HydrophobicContact CG-CB 3.57Å; R825-K830 HydrophobicContact CG-CG 3.98Å; R825-K830 VanDerWaalsContact O-CB 3.28Å; R825-K830 WeakPolarHBondContact O-CB 3.39Å; R825-K830 PolarHBondContact O-N 3.22Å; R825-L831 PolarHBondContact NH1-O 3.02Å; R825-P939 HydrophobicContact CB-CB 4.04Å; R825-P939 HydrophobicContact CB-CG 3.95Å; R825-P939 HydrophobicContact CG-CG 4.23Å
826	K	97	Very high	94.2	Very high	7 Å²	7	19.3 Å²	19.3	3%	0.03	11%	0.105	C	C	.	.	H	α-helix	trans	-63.9	-36.5	174.6	-66.9	171.3	68.6	73.6	0	113.5	W785 V822 L823 V828 G829 K830 L909 N910 F917	W785-K826 HydrophobicContact CH2-CD 4.08Å; V822-K826 HydrophobicContact CG2-CD 4.29Å; V822-K826 HydrophobicContact CG2-CG 4.39Å; V822-K826 VanDerWaalsContact O-CG 3.31Å; V822-K826 WeakPolarHBondContact O-CG 3.16Å; V822-K826 PolarHBondContact O-N 2.92Å; L823-K826 CarbonylContact O-C 3.6Å; L823-K826 PolarHBondContact O-N 3.22Å; L823-K826 VanDerWaalsContact O-N 3.14Å; K826-V828 VanDerWaalsContact C-N 3.32Å; K826-V828 PolarHBondContact O-N 3.4Å; K826-G829 PolarHBondContact O-N 2.81Å; K826-K830 VanDerWaalsContact CA-O 3.32Å; K826-K830 WeakPolarHBondContact CA-O 3.34Å; K826-K830 WeakPolarHBondContact CG-O 3.46Å; K826-L909 WeakPolarHBondContact CD-O 3.43Å; K826-L909 WeakPolarHBondContact CE-O 3.4Å; K826-L909 PolarHBondContact NZ-O 3.47Å; K826-N910 PolarHBondContact NZ-OD1 2.99Å; K826-F917 HydrophobicContact CB-CE1 4.04Å; K826-F917 HydrophobicContact CB-CE2 3.7Å; K826-F917 HydrophobicContact CB-CZ 3.43Å; K826-F917 VanDerWaalsContact CB-CZ 3.43Å
827	L	95.3	Very high	94.8	Very high	4 Å²	4	15.7 Å²	15.7	2%	0.021	9%	0.086	C	C	.	.	H	α-helix	trans	-61.5	-36.9	176.1	-80.5	179.3	0	0	0	112.9	L805 L823 Y824 R825 G829 F917 F920 F924 L942	L805-L827 HydrophobicContact CD2-CD1 3.84Å; L823-L827 HydrophobicContact CG-CD1 4.47Å; L823-L827 PolarHBondContact O-N 3.41Å; Y824-L827 HydrophobicContact CD1-CD1 4.42Å; Y824-L827 PolarHBondContact O-N 2.94Å; R825-L827 PolarHBondContact O-N 3.17Å; L827-G829 PolarHBondContact O-N 2.82Å; L827-F917 HydrophobicContact CD2-CE2 4.43Å; L827-F920 HydrophobicContact CD1-CE1 4.21Å; L827-F920 HydrophobicContact CD2-CD1 4.13Å; L827-F920 HydrophobicContact CD2-CE1 3.87Å; L827-F920 HydrophobicContact CG-CE1 4.31Å; L827-F924 HydrophobicContact CB-CE1 4.27Å; L827-F924 HydrophobicContact CD1-CE1 4.19Å; L827-F924 HydrophobicContact CD1-CE2 4.23Å; L827-F924 HydrophobicContact CD1-CZ 4.04Å; L827-F924 HydrophobicContact CD2-CB 4.3Å; L827-F924 HydrophobicContact CD2-CD1 3.59Å; L827-F924 HydrophobicContact CD2-CE1 3.93Å; L827-F924 HydrophobicContact CD2-CG 3.92Å; L827-F924 HydrophobicContact CG-CD1 4.49Å; L827-F924 HydrophobicContact CG-CE1 4.36Å; L827-L942 HydrophobicContact CB-CD2 4.36Å
828	V	92.6	Very high	95	Very high	26 Å²	26	19 Å²	19	16%	0.158	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	16.7	172.9	-54.1	0	0	0	0	113.7	N621 Y824 R825 K826 K830 T934 P939 L942	N621-V828 HydrophobicContact CB-CG2 4.48Å; Y824-V828 PolarHBondContact O-N 2.97Å; R825-V828 WeakPolarHBondContact O-CG2 2.93Å; R825-V828 PolarHBondContact O-N 3.47Å; K826-V828 VanDerWaalsContact C-N 3.32Å; K826-V828 PolarHBondContact O-N 3.4Å; V828-K830 HydrophobicContact CG2-CG 4.2Å; V828-T934 HydrophobicContact CG1-CG2 4.36Å; V828-P939 HydrophobicContact CG2-CG 3.81Å; V828-L942 HydrophobicContact CG1-CD2 4.12Å
829	G	92.9	Very high	95.2	Very high	6 Å²	6	22.1 Å²	22.1	6%	0.062	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	26.9	171.5	0	0	0	0	0	115.7	N584 K826 L827	N584-G829 PolarHBondContact ND2-O 3.48Å; N584-G829 VanDerWaalsContact OD1-CA 3.29Å; N584-G829 WeakPolarHBondContact OD1-CA 3.28Å; N584-G829 PolarHBondContact OD1-O 2.81Å; K826-G829 PolarHBondContact O-N 2.81Å; L827-G829 PolarHBondContact O-N 2.82Å
830	K	95.2	Very high	95.1	Very high	16 Å²	16	22.5 Å²	22.5	7%	0.07	12%	0.12	C	C	.	.			trans	-109.6	161.2	-178.5	-62.6	-70.4	-170	159.8	0	113.1	D572 L577 E580 N621 D622 R825 K826 V828	D572-K830 IonicContact OD2-NZ 2.63Å; D572-K830 PolarHBondContact OD2-NZ 2.74Å; L577-K830 VanDerWaalsContact CD2-NZ 3.26Å; E580-K830 HydrophobicContact CG-CD 4.37Å; E580-K830 WeakPolarHBondContact OE1-CA 3.31Å; E580-K830 WeakPolarHBondContact OE1-CB 3.47Å; E580-K830 VanDerWaalsContact OE1-CD 3.24Å; E580-K830 WeakPolarHBondContact OE1-CD 3.31Å; E580-K830 WeakPolarHBondContact OE2-CD 3.27Å; E580-K830 WeakPolarHBondContact OE2-CE 3.46Å; E580-K830 IonicContact OE2-NZ 2.88Å; E580-K830 PolarHBondContact OE2-NZ 2.67Å; N621-K830 VanDerWaalsContact O-CE 3.25Å; N621-K830 WeakPolarHBondContact O-CE 3.32Å; D622-K830 VanDerWaalsContact OD1-CE 3.26Å; D622-K830 WeakPolarHBondContact OD1-CE 3.4Å; D622-K830 IonicContact OD1-NZ 3.91Å; D622-K830 PolarHBondContact OD1-NZ 3.47Å; R825-K830 HydrophobicContact CG-CB 3.57Å; R825-K830 HydrophobicContact CG-CG 3.98Å; R825-K830 VanDerWaalsContact O-CB 3.28Å; R825-K830 WeakPolarHBondContact O-CB 3.39Å; R825-K830 PolarHBondContact O-N 3.22Å; K826-K830 VanDerWaalsContact CA-O 3.32Å; K826-K830 WeakPolarHBondContact CA-O 3.34Å; K826-K830 WeakPolarHBondContact CG-O 3.46Å; V828-K830 HydrophobicContact CG2-CG 4.2Å
831	L	96.9	Very high	95.1	Very high	17 Å²	17	26.1 Å²	26.1	9%	0.089	13%	0.133	C	C	.	.			trans	-100.4	136.9	178.7	-74.3	172.7	0	0	0	110.8	L576 M579 E580 E583 R825 T833 N910	L576-L831 HydrophobicContact CD1-CB 4.15Å; L576-L831 HydrophobicContact CD1-CD1 4.43Å; M579-L831 HydrophobicContact CB-CD1 3.75Å; M579-L831 HydrophobicContact CE-CD1 4.35Å; E580-L831 HydrophobicContact CG-CB 3.86Å; E580-L831 HydrophobicContact CG-CD1 3.95Å; E580-L831 HydrophobicContact CG-CG 3.76Å; E580-L831 PolarHBondContact OE1-N 3.29Å; E583-L831 HydrophobicContact CB-CD2 4.39Å; E583-L831 HydrophobicContact CG-CD2 4.13Å; R825-L831 PolarHBondContact NH1-O 3.02Å; L831-T833 WeakPolarHBondContact O-CG2 3.44Å; L831-N910 HydrophobicContact CD2-CB 4.36Å
832	G	96.5	Very high	95.1	Very high	4 Å²	4	26.2 Å²	26.2	4%	0.041	13%	0.133	C	C	.	.			trans	-68.6	137.3	175.5	0	0	0	0	0	111.2	N910	G832-N910 PolarHBondContact N-OD1 3.06Å; G832-N910 PolarHBondContact O-ND2 3.44Å
833	T	96.1	Very high	95	Very high	27 Å²	27	29.8 Å²	29.8	17%	0.166	16%	0.158	C	C	.	.			trans	-128.3	179.9	-175.1	74.2	0	0	0	0	111.6	L576 R624 L831 E835 D836 L909	L576-T833 HydrophobicContact CD1-CG2 4.23Å; L576-T833 HydrophobicContact CD2-CG2 3.73Å; R624-T833 PolarHBondContact NH2-OG1 3.34Å; L831-T833 WeakPolarHBondContact O-CG2 3.44Å; T833-E835 VanDerWaalsContact C-N 3.27Å; T833-E835 PolarHBondContact O-N 3.06Å; T833-E835 PolarHBondContact OG1-N 3.3Å; T833-D836 WeakPolarHBondContact CA-OD2 3.17Å; T833-D836 WeakPolarHBondContact CB-OD2 3.14Å; T833-D836 PolarHBondContact N-OD2 3.5Å; T833-D836 WeakPolarHBondContact O-CB 3.23Å; T833-D836 PolarHBondContact O-N 3.12Å; T833-D836 VanDerWaalsContact O-N 3.09Å; T833-D836 PolarHBondContact OG1-OD2 3.28Å; T833-L909 VanDerWaalsContact O-CD1 3.28Å; T833-L909 WeakPolarHBondContact O-CD1 3.29Å
834	F	96.3	Very high	94.9	Very high	36 Å²	36	31.9 Å²	31.9	16%	0.158	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-56.7	-33.9	173.9	174.6	-121.2	0	0	0	114.1	D836 L837 F838 L848 K849 L852 V901 S905	F834-D836 VanDerWaalsContact C-N 3.26Å; F834-D836 PolarHBondContact O-N 3.46Å; F834-L837 HydrophobicContact CD2-CD1 4.35Å; F834-L837 PolarHBondContact O-N 3.36Å; F834-F838 HydrophobicContact CE1-CE2 4Å; F834-F838 HydrophobicContact CE1-CZ 4.43Å; F834-F838 HydrophobicContact CE2-CE2 4.11Å; F834-F838 HydrophobicContact CE2-CZ 4.44Å; F834-F838 AromaticContact CZ-CE2 3.71Å; F834-F838 HydrophobicContact CZ-CE2 3.71Å; F834-F838 AromaticContact CZ-CZ 3.88Å; F834-F838 HydrophobicContact CZ-CZ 3.88Å; F834-L848 HydrophobicContact CD2-CB 4.39Å; F834-L848 HydrophobicContact CE2-CB 3.73Å; F834-L848 HydrophobicContact CZ-CB 4.48Å; F834-K849 HydrophobicContact CZ-CB 4.04Å; F834-L852 HydrophobicContact CD1-CD1 4.14Å; F834-L852 HydrophobicContact CE1-CD1 3.7Å; F834-L852 HydrophobicContact CZ-CD1 4.14Å; F834-V901 HydrophobicContact CB-CG1 4.07Å; F834-V901 HydrophobicContact CD1-CG1 4.22Å; F834-V901 HydrophobicContact CD2-CG1 3.45Å; F834-V901 VanDerWaalsContact CD2-CG1 3.45Å; F834-V901 HydrophobicContact CE2-CG1 3.95Å; F834-V901 HydrophobicContact CG-CG1 3.62Å; F834-V901 HydrophobicContact CZ-CG1 4.5Å; F834-S905 WeakPolarHBondContact CA-OG 3.42Å
835	E	94.8	Very high	94.9	Very high	62 Å²	62	31.9 Å²	31.9	29%	0.29	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-64.2	-34.2	176.9	-63.1	-148.9	144.9	0	0	112	Q570 K625 T833 L837 F838	Q570-E835 PolarHBondContact NE2-OE1 2.69Å; K625-E835 IonicContact NZ-OE1 3.18Å; K625-E835 PolarHBondContact NZ-OE1 3.45Å; K625-E835 IonicContact NZ-OE2 2.67Å; K625-E835 PolarHBondContact NZ-OE2 2.99Å; T833-E835 VanDerWaalsContact C-N 3.27Å; T833-E835 PolarHBondContact O-N 3.06Å; T833-E835 PolarHBondContact OG1-N 3.3Å; E835-L837 PolarHBondContact O-N 3.44Å; E835-F838 PolarHBondContact O-N 2.97Å
836	D	96	Very high	94.9	Very high	12 Å²	12	35.4 Å²	35.4	6%	0.064	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-73.9	-15.7	-177	-53.6	-80.8	0	0	0	112.6	R624 V822 T833 F834 F838 A840 L909	R624-D836 IonicContact CZ-OD1 3.35Å; R624-D836 IonicContact CZ-OD2 3.44Å; R624-D836 VanDerWaalsContact NH1-CG 3.34Å; R624-D836 IonicContact NH1-OD1 3.51Å; R624-D836 PolarHBondContact NH1-OD1 2.91Å; R624-D836 IonicContact NH1-OD2 2.65Å; R624-D836 PolarHBondContact NH1-OD2 2.79Å; R624-D836 IonicContact NH2-OD1 3.28Å; R624-D836 IonicContact NH2-OD2 2.73Å; R624-D836 PolarHBondContact NH2-OD2 3.34Å; V822-D836 HydrophobicContact CB-CB 3.94Å; V822-D836 HydrophobicContact CG2-CB 3.65Å; T833-D836 WeakPolarHBondContact CA-OD2 3.17Å; T833-D836 WeakPolarHBondContact CB-OD2 3.14Å; T833-D836 PolarHBondContact N-OD2 3.5Å; T833-D836 WeakPolarHBondContact O-CB 3.23Å; T833-D836 PolarHBondContact O-N 3.12Å; T833-D836 VanDerWaalsContact O-N 3.09Å; T833-D836 PolarHBondContact OG1-OD2 3.28Å; F834-D836 VanDerWaalsContact C-N 3.26Å; F834-D836 PolarHBondContact O-N 3.46Å; D836-F838 VanDerWaalsContact C-N 3.29Å; D836-F838 PolarHBondContact O-N 3.01Å; D836-A840 WeakPolarHBondContact O-CB 3.39Å; D836-A840 PolarHBondContact O-N 2.83Å; D836-L909 HydrophobicContact CB-CD1 4.01Å
837	L	96.2	Very high	94.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-70.6	-21.1	173.6	-69.9	-178.8	0	0	0	113.2	F834 E835 D839 A840 R841 A845 L848 S905 L908 L909	F834-L837 HydrophobicContact CD2-CD1 4.35Å; F834-L837 PolarHBondContact O-N 3.36Å; E835-L837 PolarHBondContact O-N 3.44Å; L837-D839 VanDerWaalsContact C-N 3.27Å; L837-D839 PolarHBondContact O-N 3Å; L837-A840 PolarHBondContact O-N 3.45Å; L837-R841 CarbonylContact O-C 3.27Å; L837-R841 WeakPolarHBondContact O-CA 3.23Å; L837-R841 PolarHBondContact O-N 3.5Å; L837-A845 HydrophobicContact CB-CB 3.85Å; L837-L848 HydrophobicContact CD1-CD1 3.81Å; L837-S905 WeakPolarHBondContact CD1-OG 3.15Å; L837-L908 HydrophobicContact CD2-CD1 4.42Å; L837-L909 HydrophobicContact CD2-CD1 3.78Å; L837-L909 HydrophobicContact CD2-CD2 3.97Å; L837-L909 HydrophobicContact CD2-CG 3.93Å; L837-L909 HydrophobicContact CG-CD1 4.01Å
838	F	94.8	Very high	94.9	Very high	75 Å²	75	37 Å²	37	33%	0.329	20%	0.204	S	C	.	.	H	α-helix	trans	-65.8	-30.9	-179.8	-77.8	-84.2	0	0	0	113.1	F834 E835 D836 P842 A845 K849	F834-F838 HydrophobicContact CE1-CE2 4Å; F834-F838 HydrophobicContact CE1-CZ 4.43Å; F834-F838 HydrophobicContact CE2-CE2 4.11Å; F834-F838 HydrophobicContact CE2-CZ 4.44Å; F834-F838 AromaticContact CZ-CE2 3.71Å; F834-F838 HydrophobicContact CZ-CE2 3.71Å; F834-F838 AromaticContact CZ-CZ 3.88Å; F834-F838 HydrophobicContact CZ-CZ 3.88Å; E835-F838 PolarHBondContact O-N 2.97Å; D836-F838 VanDerWaalsContact C-N 3.29Å; D836-F838 PolarHBondContact O-N 3.01Å; F838-P842 WeakPolarHBondContact O-CG 3.31Å; F838-A845 HydrophobicContact CB-CB 4.4Å; F838-A845 HydrophobicContact CD1-CB 3.74Å; F838-A845 HydrophobicContact CD2-CB 4.01Å; F838-A845 HydrophobicContact CE1-CB 3.86Å; F838-A845 HydrophobicContact CE2-CB 4.12Å; F838-A845 HydrophobicContact CG-CB 3.81Å; F838-A845 HydrophobicContact CZ-CB 4.04Å; F838-K849 HydrophobicContact CE1-CD 4.24Å; F838-K849 HydrophobicContact CZ-CB 4.18Å; F838-K849 HydrophobicContact CZ-CD 3.97Å
839	D	91.2	Very high	95.1	Very high	103 Å²	103	39.1 Å²	39.1	55%	0.551	21%	0.211	S	C	*	.	H	α-helix	trans	-95.3	-29.3	175	-57	-45.8	0	0	0	112.1	L837	L837-D839 VanDerWaalsContact C-N 3.27Å; L837-D839 PolarHBondContact O-N 3Å
840	A	92.5	Very high	95.2	Very high	10 Å²	10	41.1 Å²	41.1	8%	0.083	22%	0.224	C	C	.	.	H	α-helix	trans	-84.9	-35.3	-177.1	0	0	0	0	0	114.5	P820 V822 D836 L837 L909	P820-A840 HydrophobicContact CB-CB 3.86Å; P820-A840 HydrophobicContact CG-CB 4.28Å; V822-A840 HydrophobicContact CG1-CB 4.28Å; D836-A840 WeakPolarHBondContact O-CB 3.39Å; D836-A840 PolarHBondContact O-N 2.83Å; L837-A840 PolarHBondContact O-N 3.45Å; A840-L909 HydrophobicContact CB-CD2 4.34Å
841	R	92.8	Very high	95.3	Very high	83 Å²	83	40.6 Å²	40.6	31%	0.313	22%	0.222	S	C	.	.			trans	-150.9	71.1	179.4	-66.3	-167.3	172.1	-160.2	-7.6	111.4	L837 S843 L844 A845	L837-R841 CarbonylContact O-C 3.27Å; L837-R841 WeakPolarHBondContact O-CA 3.23Å; L837-R841 PolarHBondContact O-N 3.5Å; R841-S843 PolarHBondContact O-N 2.93Å; R841-L844 HydrophobicContact CB-CB 3.99Å; R841-L844 PolarHBondContact O-N 3.14Å; R841-A845 PolarHBondContact O-N 2.89Å
842	P	94.5	Very high	95.2	Very high	43 Å²	43	42 Å²	42	28%	0.279	23%	0.229	S	C	.	.	H	α-helix	trans	-50.7	-46.5	-170.8	-24.5	28.7	0	0	0	114.8	E780 T781 F838 L844 A845 Q846	E780-P842 HydrophobicContact CG-CG 4.37Å; E780-P842 WeakPolarHBondContact OE2-CD 3.19Å; T781-P842 HydrophobicContact CG2-CG 3.76Å; F838-P842 WeakPolarHBondContact O-CG 3.31Å; P842-L844 VanDerWaalsContact C-N 3.34Å; P842-L844 PolarHBondContact O-N 3.46Å; P842-A845 PolarHBondContact O-N 3.4Å; P842-Q846 PolarHBondContact O-N 2.97Å
843	S	94.5	Very high	95.2	Very high	80 Å²	80	47.6 Å²	47.6	56%	0.559	25%	0.254	S	S	*	.	H	α-helix	trans	-64.8	-35.5	179.8	-81.4	0	0	0	0	113.1	E780 R841 G847	E780-S843 WeakPolarHBondContact OE1-CB 3.48Å; E780-S843 PolarHBondContact OE1-N 3.08Å; E780-S843 PolarHBondContact OE1-OG 3.33Å; E780-S843 WeakPolarHBondContact OE2-CB 3.24Å; E780-S843 PolarHBondContact OE2-N 2.91Å; E780-S843 PolarHBondContact OE2-OG 3.08Å; R841-S843 PolarHBondContact O-N 2.93Å; S843-G847 PolarHBondContact O-N 3.5Å; S843-G847 VanDerWaalsContact O-N 3.15Å
844	L	94	Very high	95.1	Very high	43 Å²	43	49 Å²	49	23%	0.225	26%	0.257	C	S	.	.	H	α-helix	trans	-70.7	-44.8	174.3	177.6	62.2	0	0	0	111	R841 P842 Q846 G847 L848 Y904 L908	R841-L844 HydrophobicContact CB-CB 3.99Å; R841-L844 PolarHBondContact O-N 3.14Å; P842-L844 VanDerWaalsContact C-N 3.34Å; P842-L844 PolarHBondContact O-N 3.46Å; L844-Q846 VanDerWaalsContact C-N 3.31Å; L844-Q846 PolarHBondContact O-N 3.08Å; L844-G847 WeakPolarHBondContact O-CA 3.35Å; L844-G847 PolarHBondContact O-N 3.3Å; L844-L848 HydrophobicContact CD1-CD1 4.07Å; L844-L848 HydrophobicContact CD1-CD2 4.42Å; L844-L848 HydrophobicContact CD1-CG 4Å; L844-L848 HydrophobicContact CD2-CD1 4.49Å; L844-L848 HydrophobicContact CG-CD1 3.95Å; L844-L848 HydrophobicContact CG-CG 4.29Å; L844-L848 WeakPolarHBondContact O-CG 3.23Å; L844-L848 PolarHBondContact O-N 3.39Å; L844-Y904 HydrophobicContact CD1-CE2 4.08Å; L844-Y904 HydrophobicContact CD2-CE1 4.41Å; L844-L908 HydrophobicContact CD2-CD1 3.38Å
845	A	96.2	Very high	94.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-58.2	-43.1	178.5	0	0	0	0	0	111.7	L837 F838 R841 P842 G847 L848 K849	L837-A845 HydrophobicContact CB-CB 3.85Å; F838-A845 HydrophobicContact CB-CB 4.4Å; F838-A845 HydrophobicContact CD1-CB 3.74Å; F838-A845 HydrophobicContact CD2-CB 4.01Å; F838-A845 HydrophobicContact CE1-CB 3.86Å; F838-A845 HydrophobicContact CE2-CB 4.12Å; F838-A845 HydrophobicContact CG-CB 3.81Å; F838-A845 HydrophobicContact CZ-CB 4.04Å; R841-A845 PolarHBondContact O-N 2.89Å; P842-A845 PolarHBondContact O-N 3.4Å; A845-G847 PolarHBondContact O-N 3.29Å; A845-L848 PolarHBondContact O-N 3.33Å; A845-K849 WeakPolarHBondContact O-CB 3.35Å; A845-K849 PolarHBondContact O-N 2.96Å
846	Q	96.8	Very high	94.6	Very high	90 Å²	90	57 Å²	57	42%	0.421	30%	0.295	S	S	.	.	H	α-helix	trans	-67.6	-32.8	175	-175.7	53.4	64	0	0	112.7	P842 L844 S850	P842-Q846 PolarHBondContact O-N 2.97Å; L844-Q846 VanDerWaalsContact C-N 3.31Å; L844-Q846 PolarHBondContact O-N 3.08Å; Q846-S850 PolarHBondContact NE2-OG 3.4Å; Q846-S850 WeakPolarHBondContact O-CB 3.28Å; Q846-S850 PolarHBondContact O-N 3.46Å; Q846-S850 PolarHBondContact O-OG 2.86Å
847	G	95.7	Very high	94.2	Very high	37 Å²	37	62.9 Å²	62.9	38%	0.381	33%	0.326	S	S	.	.	H	α-helix	trans	-64.7	-49.5	172.1	0	0	0	0	0	112.9	S843 L844 A845 K849 S850 L851	S843-G847 PolarHBondContact O-N 3.5Å; S843-G847 VanDerWaalsContact O-N 3.15Å; L844-G847 WeakPolarHBondContact O-CA 3.35Å; L844-G847 PolarHBondContact O-N 3.3Å; A845-G847 PolarHBondContact O-N 3.29Å; G847-K849 VanDerWaalsContact C-N 3.35Å; G847-S850 WeakPolarHBondContact O-CB 3.45Å; G847-S850 PolarHBondContact O-N 2.93Å; G847-L851 PolarHBondContact O-N 3.18Å; G847-L851 VanDerWaalsContact O-N 3.16Å
848	L	96.5	Very high	94	Very high	8 Å²	8	66 Å²	66	4%	0.042	34%	0.343	C	S	.	.	H	α-helix	trans	-66.5	-35.8	177.6	-63.3	176	0	0	0	111.8	F834 L837 L844 A845 L851 L852 Y900 V901 Y904	F834-L848 HydrophobicContact CD2-CB 4.39Å; F834-L848 HydrophobicContact CE2-CB 3.73Å; F834-L848 HydrophobicContact CZ-CB 4.48Å; L837-L848 HydrophobicContact CD1-CD1 3.81Å; L844-L848 HydrophobicContact CD1-CD1 4.07Å; L844-L848 HydrophobicContact CD1-CD2 4.42Å; L844-L848 HydrophobicContact CD1-CG 4Å; L844-L848 HydrophobicContact CD2-CD1 4.49Å; L844-L848 HydrophobicContact CG-CD1 3.95Å; L844-L848 HydrophobicContact CG-CG 4.29Å; L844-L848 WeakPolarHBondContact O-CG 3.23Å; L844-L848 PolarHBondContact O-N 3.39Å; A845-L848 PolarHBondContact O-N 3.33Å; L848-L851 WeakPolarHBondContact O-CB 3.14Å; L848-L851 PolarHBondContact O-N 3.5Å; L848-L852 PolarHBondContact O-N 2.96Å; L848-L852 VanDerWaalsContact O-N 3.09Å; L848-Y900 HydrophobicContact CD2-CE1 4Å; L848-V901 HydrophobicContact CB-CG1 4.16Å; L848-V901 HydrophobicContact CB-CG2 4.05Å; L848-V901 HydrophobicContact CD1-CG1 4.44Å; L848-V901 HydrophobicContact CD2-CG2 4.15Å; L848-Y904 HydrophobicContact CD1-CD2 4.21Å; L848-Y904 HydrophobicContact CD2-CD2 3.73Å; L848-Y904 HydrophobicContact CD2-CE2 4.05Å
849	K	96.9	Very high	93.7	Very high	69 Å²	69	62.6 Å²	62.6	30%	0.3	33%	0.328	S	S	.	.	H	α-helix	trans	-58.6	-48.6	169.7	-175.5	176.7	172.9	177.2	0	111.8	F834 F838 A845 G847 L851 L852 E853	F834-K849 HydrophobicContact CZ-CB 4.04Å; F838-K849 HydrophobicContact CE1-CD 4.24Å; F838-K849 HydrophobicContact CZ-CB 4.18Å; F838-K849 HydrophobicContact CZ-CD 3.97Å; A845-K849 WeakPolarHBondContact O-CB 3.35Å; A845-K849 PolarHBondContact O-N 2.96Å; G847-K849 VanDerWaalsContact C-N 3.35Å; K849-L851 PolarHBondContact O-N 3.16Å; K849-L852 PolarHBondContact O-N 3.31Å; K849-E853 WeakPolarHBondContact CE-OE1 3.36Å; K849-E853 WeakPolarHBondContact CE-OE2 3.47Å; K849-E853 HydrophobicContact CG-CG 4.25Å; K849-E853 IonicContact NZ-OE1 2.97Å; K849-E853 PolarHBondContact O-N 3.19Å
850	S	95.7	Very high	93.6	Very high	49 Å²	49	62.9 Å²	62.9	34%	0.343	33%	0.326	S	S	.	.	H	α-helix	trans	-60.4	-30.2	178.3	-61.8	0	0	0	0	112.8	Q846 G847 Y854	Q846-S850 PolarHBondContact NE2-OG 3.4Å; Q846-S850 WeakPolarHBondContact O-CB 3.28Å; Q846-S850 PolarHBondContact O-N 3.46Å; Q846-S850 PolarHBondContact O-OG 2.86Å; G847-S850 WeakPolarHBondContact O-CB 3.45Å; G847-S850 PolarHBondContact O-N 2.93Å; S850-Y854 PolarHBondContact O-N 3.47Å
851	L	95.8	Very high	93.5	Very high	4 Å²	4	69 Å²	69	2%	0.021	36%	0.357	C	S	.	.	H	α-helix	trans	-70.3	-40.9	172.2	172	65.3	0	0	0	112.4	G847 L848 K849 I859 F863 V892 R897 Y900 V901	G847-L851 PolarHBondContact O-N 3.18Å; G847-L851 VanDerWaalsContact O-N 3.16Å; L848-L851 WeakPolarHBondContact O-CB 3.14Å; L848-L851 PolarHBondContact O-N 3.5Å; K849-L851 PolarHBondContact O-N 3.16Å; L851-I859 HydrophobicContact CD1-CG2 3.58Å; L851-F863 HydrophobicContact CB-CD1 4.25Å; L851-F863 HydrophobicContact CB-CE1 3.81Å; L851-F863 HydrophobicContact CB-CZ 4.13Å; L851-F863 HydrophobicContact CD1-CD1 4.04Å; L851-F863 HydrophobicContact CD1-CD2 3.92Å; L851-F863 HydrophobicContact CD1-CE1 4.17Å; L851-F863 HydrophobicContact CD1-CE2 4.06Å; L851-F863 HydrophobicContact CD1-CG 3.92Å; L851-F863 HydrophobicContact CD1-CZ 4.19Å; L851-V892 HydrophobicContact CD1-CG1 4.18Å; L851-V892 HydrophobicContact CD2-CG1 4.16Å; L851-R897 HydrophobicContact CD1-CB 4.32Å; L851-R897 HydrophobicContact CG-CB 4.19Å; L851-R897 WeakPolarHBondContact O-CD 3.34Å; L851-R897 PolarHBondContact O-NH1 2.84Å; L851-Y900 HydrophobicContact CD2-CD1 3.59Å; L851-Y900 HydrophobicContact CD2-CE1 3.76Å; L851-V901 HydrophobicContact CD2-CG2 4.14Å
852	L	95.6	Very high	93.4	Very high	48 Å²	48	68.5 Å²	68.5	25%	0.251	36%	0.363	S	S	.	.	H	α-helix	trans	-69.3	-36.2	175.6	-67	179	0	0	0	113.2	F834 L848 K849 Y854 R897 K898 V901	F834-L852 HydrophobicContact CD1-CD1 4.14Å; F834-L852 HydrophobicContact CE1-CD1 3.7Å; F834-L852 HydrophobicContact CZ-CD1 4.14Å; L848-L852 PolarHBondContact O-N 2.96Å; L848-L852 VanDerWaalsContact O-N 3.09Å; K849-L852 PolarHBondContact O-N 3.31Å; L852-Y854 VanDerWaalsContact C-N 3.35Å; L852-R897 HydrophobicContact CD2-CG 4.38Å; L852-R897 PolarHBondContact O-NH1 3.16Å; L852-R897 PolarHBondContact O-NH2 3.39Å; L852-K898 HydrophobicContact CD2-CB 4.37Å; L852-K898 HydrophobicContact CD2-CG 4.45Å; L852-V901 HydrophobicContact CD1-CG1 4.13Å; L852-V901 HydrophobicContact CD1-CG2 4.46Å; L852-V901 HydrophobicContact CD2-CB 4.27Å; L852-V901 HydrophobicContact CD2-CG2 3.95Å; L852-V901 HydrophobicContact CG-CG2 4.03Å
853	E	95.3	Very high	93.2	Very high	121 Å²	121	69.6 Å²	69.6	57%	0.565	36%	0.364	S	S	*	.	H	α-helix	trans	-83.4	-8.2	-178.9	-68.1	-179	153.7	0	0	113.3	K849 E855	K849-E853 WeakPolarHBondContact CE-OE1 3.36Å; K849-E853 WeakPolarHBondContact CE-OE2 3.47Å; K849-E853 HydrophobicContact CG-CG 4.25Å; K849-E853 IonicContact NZ-OE1 2.97Å; K849-E853 PolarHBondContact O-N 3.19Å; E853-E855 PolarHBondContact O-N 3.4Å
854	Y	94.3	Very high	93	Very high	55 Å²	55	68.8 Å²	68.8	22%	0.216	37%	0.368	C	S	.	.			trans	-65.9	121.4	-178	-159.8	-102.6	0	0	0	112.6	S850 L852 H856 I859 V862 F863 R897	S850-Y854 PolarHBondContact O-N 3.47Å; L852-Y854 VanDerWaalsContact C-N 3.35Å; Y854-H856 HydrophobicContact CD1-CB 4.26Å; Y854-H856 HydrophobicContact CE1-CB 3.61Å; Y854-H856 AromaticContact CZ-CD2 3.95Å; Y854-I859 HydrophobicContact CD1-CD1 4.12Å; Y854-I859 HydrophobicContact CD1-CG1 3.45Å; Y854-I859 VanDerWaalsContact CD1-CG1 3.45Å; Y854-I859 HydrophobicContact CE1-CG1 4.09Å; Y854-I859 HydrophobicContact CG-CG1 4.27Å; Y854-V862 HydrophobicContact CE2-CG1 4.23Å; Y854-F863 HydrophobicContact CD1-CE2 4.21Å; Y854-F863 AromaticContact CD2-CE2 3.91Å; Y854-F863 HydrophobicContact CD2-CE2 3.91Å; Y854-F863 HydrophobicContact CD2-CZ 4.14Å; Y854-F863 HydrophobicContact CE2-CE2 4.37Å; Y854-F863 AromaticContact CG-CE2 3.83Å; Y854-F863 HydrophobicContact CG-CE2 3.83Å; Y854-F863 HydrophobicContact CG-CZ 4.29Å; Y854-R897 PolarHBondContact O-NH1 2.86Å
855	E	91.1	Very high	92.9	Very high	157 Å²	157	68.5 Å²	68.5	73%	0.734	37%	0.369	S	S	*	.			trans	-87.7	-18.5	-173.5	-66.9	-166.5	155.5	0	0	114.9	E853 K894	E853-E855 PolarHBondContact O-N 3.4Å; E855-K894 WeakPolarHBondContact O-CE 3.4Å; E855-K894 PolarHBondContact O-NZ 2.9Å
856	H	90.4	Very high	92.9	Very high	111 Å²	111	69.7 Å²	69.7	51%	0.514	38%	0.377	S	S	.	.	S	Bend	trans	-91.5	160.5	-171.6	-47.4	-33.1	0	0	0	112.7	Y854 D858	Y854-H856 HydrophobicContact CD1-CB 4.26Å; Y854-H856 HydrophobicContact CE1-CB 3.61Å; Y854-H856 AromaticContact CZ-CD2 3.95Å; H856-D858 VanDerWaalsContact C-N 3.34Å; H856-D858 WeakPolarHBondContact CB-OD1 3.5Å
857	D	86.3	Confident	92.9	Very high	135 Å²	135	65.4 Å²	65.4	72%	0.722	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	0.8	-170.3	-54.7	-36.8	0	0	0	113.5	K894	D857-K894 WeakPolarHBondContact OD1-CD 3.47Å; D857-K894 IonicContact OD1-NZ 3.58Å; D857-K894 PolarHBondContact OD1-NZ 2.77Å
858	D	92.4	Very high	92.9	Very high	66 Å²	66	64.7 Å²	64.7	35%	0.353	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	21.7	-174.9	60.6	-33.6	0	0	0	114.4	H856 E860 N861 V862	H856-D858 VanDerWaalsContact C-N 3.34Å; H856-D858 WeakPolarHBondContact CB-OD1 3.5Å; D858-E860 VanDerWaalsContact C-N 3.25Å; D858-E860 PolarHBondContact O-N 3.29Å; D858-E860 VanDerWaalsContact O-N 3.13Å; D858-N861 WeakPolarHBondContact O-CA 3.17Å; D858-N861 WeakPolarHBondContact O-CB 3.47Å; D858-N861 PolarHBondContact O-N 2.85Å; D858-V862 WeakPolarHBondContact O-CG2 3.43Å; D858-V862 PolarHBondContact O-N 3.34Å; D858-V862 VanDerWaalsContact O-N 3.11Å
859	I	89.8	Confident	92.7	Very high	2 Å²	2	64.5 Å²	64.5	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-45.8	-44.6	179.7	-71.2	176.6	0	0	0	113.1	L851 Y854 N861 V862 F863 V892 K894	L851-I859 HydrophobicContact CD1-CG2 3.58Å; Y854-I859 HydrophobicContact CD1-CD1 4.12Å; Y854-I859 HydrophobicContact CD1-CG1 3.45Å; Y854-I859 VanDerWaalsContact CD1-CG1 3.45Å; Y854-I859 HydrophobicContact CE1-CG1 4.09Å; Y854-I859 HydrophobicContact CG-CG1 4.27Å; I859-N861 VanDerWaalsContact C-N 3.28Å; I859-N861 PolarHBondContact O-N 2.84Å; I859-V862 PolarHBondContact O-N 3.11Å; I859-V862 VanDerWaalsContact O-N 3.16Å; I859-F863 HydrophobicContact CB-CD2 4.37Å; I859-F863 HydrophobicContact CG1-CE2 4.48Å; I859-F863 HydrophobicContact CG2-CD2 3.9Å; I859-F863 PolarHBondContact O-N 2.95Å; I859-V892 HydrophobicContact CG2-CG1 4.38Å; I859-K894 HydrophobicContact CD1-CB 4.08Å; I859-K894 HydrophobicContact CD1-CG 4.26Å
860	E	89.2	Confident	92.3	Very high	110 Å²	110	65.8 Å²	65.8	51%	0.514	36%	0.356	S	S	.	.	H	α-helix	trans	-57	-40.4	177.9	-175.6	-179.6	176.5	0	0	112.2	D858 G864 P891	D858-E860 VanDerWaalsContact C-N 3.25Å; D858-E860 PolarHBondContact O-N 3.29Å; D858-E860 VanDerWaalsContact O-N 3.13Å; E860-G864 VanDerWaalsContact O-CA 3.3Å; E860-G864 WeakPolarHBondContact O-CA 3.41Å; E860-G864 PolarHBondContact O-N 3.3Å; E860-G864 VanDerWaalsContact O-N 3.12Å; E860-P891 HydrophobicContact CG-CB 3.91Å
861	N	89.3	Confident	91.7	Very high	138 Å²	138	65.9 Å²	65.9	74%	0.738	35%	0.349	S	S	*	.	H	α-helix	trans	-77.9	-27.7	179.3	-57.2	-82.5	0	0	0	113	D858 I859	D858-N861 WeakPolarHBondContact O-CA 3.17Å; D858-N861 WeakPolarHBondContact O-CB 3.47Å; D858-N861 PolarHBondContact O-N 2.85Å; I859-N861 VanDerWaalsContact C-N 3.28Å; I859-N861 PolarHBondContact O-N 2.84Å
862	V	90.9	Very high	91	Very high	72 Å²	72	71.2 Å²	71.2	44%	0.436	38%	0.377	S	S	.	.	H	α-helix	trans	-91.1	-39.8	-171.8	172.7	0	0	0	0	112	Y854 D858 I859	Y854-V862 HydrophobicContact CE2-CG1 4.23Å; D858-V862 WeakPolarHBondContact O-CG2 3.43Å; D858-V862 PolarHBondContact O-N 3.34Å; D858-V862 VanDerWaalsContact O-N 3.11Å; I859-V862 PolarHBondContact O-N 3.11Å; I859-V862 VanDerWaalsContact O-N 3.16Å
863	F	91	Very high	90	Very high	67 Å²	67	70.2 Å²	70.2	29%	0.294	37%	0.372	S	S	.	.	H	α-helix	trans	-100.6	-30.9	-179.2	-67.3	-96.2	0	0	0	112.6	L851 Y854 I859 C865	L851-F863 HydrophobicContact CB-CD1 4.25Å; L851-F863 HydrophobicContact CB-CE1 3.81Å; L851-F863 HydrophobicContact CB-CZ 4.13Å; L851-F863 HydrophobicContact CD1-CD1 4.04Å; L851-F863 HydrophobicContact CD1-CD2 3.92Å; L851-F863 HydrophobicContact CD1-CE1 4.17Å; L851-F863 HydrophobicContact CD1-CE2 4.06Å; L851-F863 HydrophobicContact CD1-CG 3.92Å; L851-F863 HydrophobicContact CD1-CZ 4.19Å; Y854-F863 HydrophobicContact CD1-CE2 4.21Å; Y854-F863 AromaticContact CD2-CE2 3.91Å; Y854-F863 HydrophobicContact CD2-CE2 3.91Å; Y854-F863 HydrophobicContact CD2-CZ 4.14Å; Y854-F863 HydrophobicContact CE2-CE2 4.37Å; Y854-F863 AromaticContact CG-CE2 3.83Å; Y854-F863 HydrophobicContact CG-CE2 3.83Å; Y854-F863 HydrophobicContact CG-CZ 4.29Å; I859-F863 HydrophobicContact CB-CD2 4.37Å; I859-F863 HydrophobicContact CG1-CE2 4.48Å; I859-F863 HydrophobicContact CG2-CD2 3.9Å; I859-F863 PolarHBondContact O-N 2.95Å; F863-C865 PolarHBondContact O-N 3.15Å
864	G	89.8	Confident	88.6	Confident	62 Å²	62	67.4 Å²	67.4	64%	0.639	36%	0.364	S	S	*	.			trans	65.2	16	177.6	0	0	0	0	0	115.3	E860	E860-G864 VanDerWaalsContact O-CA 3.3Å; E860-G864 WeakPolarHBondContact O-CA 3.41Å; E860-G864 PolarHBondContact O-N 3.3Å; E860-G864 VanDerWaalsContact O-N 3.12Å
865	C	92.2	Very high	87.6	Confident	38 Å²	38	72 Å²	72	26%	0.257	39%	0.385	S	S	.	.			trans	-83.3	144.7	-178.1	-56.1	0	0	0	0	112.1	F863 V892	F863-C865 PolarHBondContact O-N 3.15Å; C865-V892 HydrophobicContact CB-CB 4.11Å; C865-V892 HydrophobicContact CB-CG2 3.7Å; C865-V892 PolarHBondContact O-N 3.12Å
866	S	95.1	Very high	87	Confident	24 Å²	24	66.8 Å²	66.8	17%	0.168	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-110.4	-179.5	158.2	63.9	0	0	0	0	109.9	S868 G887 A888 I890 Y900	S866-S868 PolarHBondContact O-N 2.9Å; S866-S868 PolarHBondContact OG-OG 3.15Å; S866-G887 WeakPolarHBondContact CB-O 3.3Å; S866-A888 WeakPolarHBondContact CB-O 3.49Å; S866-A888 PolarHBondContact OG-O 2.74Å; S866-I890 CarbonylContact C-O 3.59Å; S866-I890 WeakPolarHBondContact CA-O 3.44Å; S866-I890 VanDerWaalsContact CB-O 3.22Å; S866-I890 WeakPolarHBondContact CB-O 3.45Å; S866-Y900 WeakPolarHBondContact O-CE2 3.33Å
867	F	97.2	Very high	86.6	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	37%	0.372	C	S	.	.	S	Bend	trans	-75.7	48.4	172.2	-78.6	-111.2	0	0	0	111.8	E882 L883 K884 G887 I890 V892 N896 E899 Y900 L903	F867-E882 CarbonylContact O-C 3.56Å; F867-E882 WeakPolarHBondContact O-CA 3.26Å; F867-L883 HydrophobicContact CB-CB 4.42Å; F867-L883 HydrophobicContact CD1-CB 4.45Å; F867-L883 PolarHBondContact O-N 3.44Å; F867-K884 HydrophobicContact CB-CG 4.1Å; F867-K884 HydrophobicContact CD1-CD 3.68Å; F867-K884 HydrophobicContact CD1-CG 4Å; F867-K884 HydrophobicContact CE1-CD 4.04Å; F867-K884 HydrophobicContact CG-CD 4.17Å; F867-K884 VanDerWaalsContact CG-CE 3.48Å; F867-K884 HydrophobicContact CG-CG 4.27Å; F867-G887 CarbonylContact C-O 3.51Å; F867-G887 WeakPolarHBondContact CA-O 3.47Å; F867-G887 WeakPolarHBondContact CB-O 3.49Å; F867-G887 PolarHBondContact N-O 3.35Å; F867-G887 CarbonylContact O-C 3.59Å; F867-G887 WeakPolarHBondContact O-CA 3.41Å; F867-I890 HydrophobicContact CD2-CB 4.25Å; F867-I890 HydrophobicContact CD2-CG2 3.8Å; F867-I890 HydrophobicContact CE2-CG2 4.11Å; F867-I890 PolarHBondContact N-O 2.94Å; F867-V892 HydrophobicContact CD2-CG2 4.18Å; F867-V892 HydrophobicContact CE2-CG2 4.15Å; F867-N896 HydrophobicContact CE2-CB 4.21Å; F867-N896 VanDerWaalsContact CE2-CG 3.47Å; F867-N896 WeakPolarHBondContact CE2-OD1 3.29Å; F867-N896 HydrophobicContact CZ-CB 3.94Å; F867-E899 HydrophobicContact CE1-CB 4.18Å; F867-E899 HydrophobicContact CE1-CG 3.97Å; F867-E899 HydrophobicContact CZ-CB 4.27Å; F867-E899 HydrophobicContact CZ-CG 4.41Å; F867-E899 WeakPolarHBondContact CZ-OE2 3.14Å; F867-Y900 HydrophobicContact CD1-CD2 4.26Å; F867-Y900 HydrophobicContact CD2-CD2 4.44Å; F867-Y900 HydrophobicContact CG-CD2 4.23Å; F867-L903 HydrophobicContact CD1-CD1 4.01Å; F867-L903 HydrophobicContact CE1-CD1 4.01Å
868	S	95.5	Very high	86.6	Confident	23 Å²	23	64 Å²	64	16%	0.161	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	140.1	172.3	63.5	0	0	0	0	110.3	S866 H881	S866-S868 PolarHBondContact O-N 2.9Å; S866-S868 PolarHBondContact OG-OG 3.15Å; S868-H881 CarbonylContact C-O 3.6Å; S868-H881 VanDerWaalsContact CA-O 3.28Å; S868-H881 WeakPolarHBondContact CA-O 3.36Å
869	V	93.4	Very high	86.3	Confident	4 Å²	4	62.9 Å²	62.9	2%	0.024	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	144.3	-175.2	-63.3	0	0	0	0	110.3	T880 H881 L883 Y904 F907	V869-T880 CarbonylContact O-C 3.48Å; V869-T880 WeakPolarHBondContact O-CA 3.17Å; V869-H881 HydrophobicContact CG2-CB 4.18Å; V869-H881 PolarHBondContact N-O 2.78Å; V869-H881 PolarHBondContact O-N 2.65Å; V869-L883 HydrophobicContact CG1-CD1 3.72Å; V869-L883 HydrophobicContact CG1-CD2 3.97Å; V869-L883 HydrophobicContact CG1-CG 3.88Å; V869-L883 HydrophobicContact CG2-CD2 3.85Å; V869-L883 HydrophobicContact CG2-CG 4.33Å; V869-Y904 HydrophobicContact CB-CD1 4.25Å; V869-Y904 HydrophobicContact CB-CE1 3.89Å; V869-Y904 HydrophobicContact CG1-CD1 3.6Å; V869-Y904 HydrophobicContact CG1-CD2 3.78Å; V869-Y904 HydrophobicContact CG1-CE1 3.61Å; V869-Y904 HydrophobicContact CG1-CE2 3.79Å; V869-Y904 HydrophobicContact CG1-CG 3.71Å; V869-Y904 HydrophobicContact CG2-CE1 4.44Å; V869-F907 HydrophobicContact CG2-CD1 3.78Å; V869-F907 HydrophobicContact CG2-CE1 3.8Å
870	N	88.8	Confident	86.4	Confident	95 Å²	95	66.8 Å²	66.8	51%	0.508	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128.7	-177.9	-70.2	-51.9	0	0	0	109.7	V878 V879 T880	N870-V878 HydrophobicContact CB-CG1 3.8Å; N870-V879 WeakPolarHBondContact CA-O 3.15Å; N870-T880 WeakPolarHBondContact OD1-CB 3.48Å; N870-T880 PolarHBondContact OD1-OG1 3.07Å
871	Y	83.4	Confident	86.6	Confident	51 Å²	51	65 Å²	65	20%	0.2	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	167.1	172.7	64.3	-83.3	0	0	0	110.4	P788 V789 V878 V879 H881 F907	P788-Y871 HydrophobicContact CG-CD2 4.38Å; P788-Y871 HydrophobicContact CG-CE2 4.24Å; V789-Y871 HydrophobicContact CG2-CE2 3.95Å; Y871-V878 WeakPolarHBondContact O-CA 3.46Å; Y871-V879 HydrophobicContact CD1-CB 4.43Å; Y871-V879 HydrophobicContact CD2-CB 4.4Å; Y871-V879 HydrophobicContact CE1-CB 4.02Å; Y871-V879 HydrophobicContact CE1-CG1 3.86Å; Y871-V879 HydrophobicContact CE2-CB 4Å; Y871-V879 HydrophobicContact CE2-CG1 4.28Å; Y871-V879 HydrophobicContact CE2-CG2 4.46Å; Y871-V879 PolarHBondContact N-O 3.43Å; Y871-V879 PolarHBondContact O-N 2.88Å; Y871-H881 HydrophobicContact CE1-CB 4.13Å; Y871-F907 HydrophobicContact CD1-CE1 4.12Å; Y871-F907 HydrophobicContact CD1-CZ 4.26Å; Y871-F907 HydrophobicContact CE1-CE1 4.11Å; Y871-F907 AromaticContact CE1-CZ 3.77Å; Y871-F907 HydrophobicContact CE1-CZ 3.77Å
872	L	80.3	Confident	86.9	Confident	117 Å²	117	62.6 Å²	62.6	61%	0.613	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	137	176.8	-60.4	178.4	0	0	0	110.1	N877 V878	L872-N877 WeakPolarHBondContact CA-O 3.5Å; L872-V878 HydrophobicContact CD2-CG2 3.88Å
873	D	74.2	Confident	87.2	Confident	26 Å²	26	60 Å²	60	14%	0.139	35%	0.345	C	S	.	.			trans	-76.8	170.7	163.2	77.8	4.3	0	0	0	111	F875 G876 N877 V879	D873-F875 PolarHBondContact O-N 3.34Å; D873-F875 WeakPolarHBondContact OD1-CA 3.41Å; D873-F875 WeakPolarHBondContact OD1-CB 3.32Å; D873-F875 PolarHBondContact OD1-N 3.06Å; D873-G876 PolarHBondContact O-N 3.24Å; D873-G876 PolarHBondContact OD1-N 2.82Å; D873-N877 PolarHBondContact N-O 3.35Å; D873-N877 PolarHBondContact OD1-N 2.92Å; D873-N877 PolarHBondContact OD1-ND2 3.12Å; D873-N877 WeakPolarHBondContact OD2-CB 3.4Å; D873-N877 PolarHBondContact OD2-ND2 2.89Å; D873-V879 HydrophobicContact CB-CG2 4.03Å
874	P	66.1	Low	87.4	Confident	62 Å²	62	59 Å²	59	40%	0.403	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-9.6	178.4	-25.6	36.1	0	0	0	115.5	N787 V789 L791	N787-P874 VanDerWaalsContact ND2-CG 3.35Å; N787-P874 WeakPolarHBondContact ND2-CG 3.23Å; V789-P874 VanDerWaalsContact O-CG 3.24Å; V789-P874 WeakPolarHBondContact O-CG 3.24Å; L791-P874 HydrophobicContact CD2-CB 4.47Å
875	F	72.5	Confident	87.6	Confident	151 Å²	151	61.3 Å²	61.3	66%	0.662	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-1.8	175.4	-51	-71.3	0	0	0	112.6	L791 D873	L791-F875 HydrophobicContact CD2-CE1 3.94Å; L791-F875 HydrophobicContact CD2-CE2 3.92Å; L791-F875 HydrophobicContact CD2-CZ 3.36Å; D873-F875 PolarHBondContact O-N 3.34Å; D873-F875 WeakPolarHBondContact OD1-CA 3.41Å; D873-F875 WeakPolarHBondContact OD1-CB 3.32Å; D873-F875 PolarHBondContact OD1-N 3.06Å
876	G	78.5	Confident	87.7	Confident	48 Å²	48	65.2 Å²	65.2	50%	0.495	36%	0.363	S	S	.	.	S	Bend	trans	81.1	13.4	-177.1	0	0	0	0	0	114.6	D873	D873-G876 PolarHBondContact O-N 3.24Å; D873-G876 PolarHBondContact OD1-N 2.82Å
877	N	82.9	Confident	87.7	Confident	91 Å²	91	64 Å²	64	49%	0.487	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-76.6	142.6	171	-51.8	-65.3	0	0	0	109.9	L872 D873 V879	L872-N877 WeakPolarHBondContact CA-O 3.5Å; D873-N877 PolarHBondContact N-O 3.35Å; D873-N877 PolarHBondContact OD1-N 2.92Å; D873-N877 PolarHBondContact OD1-ND2 3.12Å; D873-N877 WeakPolarHBondContact OD2-CB 3.4Å; D873-N877 PolarHBondContact OD2-ND2 2.89Å; N877-V879 PolarHBondContact O-N 3.11Å
878	V	86.4	Confident	87.5	Confident	96 Å²	96	66.1 Å²	66.1	58%	0.582	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	119	171.4	-178.8	0	0	0	0	109.4	N870 Y871 L872	N870-V878 HydrophobicContact CB-CG1 3.8Å; Y871-V878 WeakPolarHBondContact O-CA 3.46Å; L872-V878 HydrophobicContact CD2-CG2 3.88Å
879	V	87	Confident	87.4	Confident	44 Å²	44	70.3 Å²	70.3	27%	0.267	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.5	170	-176.7	0	0	0	0	108.5	N870 Y871 D873 N877	N870-V879 WeakPolarHBondContact CA-O 3.15Å; Y871-V879 HydrophobicContact CD1-CB 4.43Å; Y871-V879 HydrophobicContact CD2-CB 4.4Å; Y871-V879 HydrophobicContact CE1-CB 4.02Å; Y871-V879 HydrophobicContact CE1-CG1 3.86Å; Y871-V879 HydrophobicContact CE2-CB 4Å; Y871-V879 HydrophobicContact CE2-CG1 4.28Å; Y871-V879 HydrophobicContact CE2-CG2 4.46Å; Y871-V879 PolarHBondContact N-O 3.43Å; Y871-V879 PolarHBondContact O-N 2.88Å; D873-V879 HydrophobicContact CB-CG2 4.03Å; N877-V879 PolarHBondContact O-N 3.11Å
880	T	91.1	Very high	87.6	Confident	83 Å²	83	72.5 Å²	72.5	51%	0.509	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131.9	174.1	-50.8	0	0	0	0	109.7	V869 N870	V869-T880 CarbonylContact O-C 3.48Å; V869-T880 WeakPolarHBondContact O-CA 3.17Å; N870-T880 WeakPolarHBondContact OD1-CB 3.48Å; N870-T880 PolarHBondContact OD1-OG1 3.07Å
881	H	92.3	Very high	87.9	Confident	73 Å²	73	70.1 Å²	70.1	34%	0.338	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.2	173.1	179.2	85.8	0	0	0	110	S868 V869 Y871 F907	S868-H881 CarbonylContact C-O 3.6Å; S868-H881 VanDerWaalsContact CA-O 3.28Å; S868-H881 WeakPolarHBondContact CA-O 3.36Å; V869-H881 HydrophobicContact CG2-CB 4.18Å; V869-H881 PolarHBondContact N-O 2.78Å; V869-H881 PolarHBondContact O-N 2.65Å; Y871-H881 HydrophobicContact CE1-CB 4.13Å; H881-F907 HydrophobicContact CB-CE1 4.34Å; H881-F907 HydrophobicContact CB-CE2 4.14Å; H881-F907 HydrophobicContact CB-CZ 3.79Å; H881-F907 AromaticContact CD2-CD2 3.38Å; H881-F907 WeakPolarHBondContact CD2-CD2 3.44Å; H881-F907 AromaticContact CD2-CE2 3.23Å; H881-F907 WeakPolarHBondContact CD2-CE2 3.2Å; H881-F907 AromaticContact CD2-CG 3.98Å; H881-F907 AromaticContact CD2-CZ 3.72Å; H881-F907 AromaticContact CE1-CE2 3.65Å; H881-F907 AromaticContact CG-CE2 3.45Å; H881-F907 VanDerWaalsContact CG-CE2 3.45Å; H881-F907 AromaticContact CG-CZ 3.64Å; H881-F907 AromaticContact ND1-CE2 3.7Å; H881-F907 AromaticContact NE2-CD2 3.36Å; H881-F907 WeakPolarHBondContact NE2-CD2 3.06Å; H881-F907 AromaticContact NE2-CE2 3.37Å; H881-F907 WeakPolarHBondContact NE2-CE2 2.95Å
882	E	96.7	Very high	88.5	Confident	87 Å²	87	67.8 Å²	67.8	41%	0.407	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	119.4	175.7	-62.3	-169.8	-152.6	0	0	109.8	F867 K884 D886 G887 A888	F867-E882 CarbonylContact O-C 3.56Å; F867-E882 WeakPolarHBondContact O-CA 3.26Å; E882-K884 PolarHBondContact O-N 3.1Å; E882-D886 VanDerWaalsContact OE2-C 3.22Å; E882-G887 PolarHBondContact OE2-N 2.85Å; E882-A888 VanDerWaalsContact CD-CB 3.47Å; E882-A888 HydrophobicContact CG-CB 3.99Å; E882-A888 WeakPolarHBondContact OE1-CB 3.36Å; E882-A888 PolarHBondContact OE2-N 3.39Å
883	L	96.1	Very high	89.1	Confident	18 Å²	18	64 Å²	64	9%	0.094	37%	0.37	C	S	.	.	S	Bend	trans	-67.4	-17	-174.2	-67.4	177.6	0	0	0	113.6	F867 V869 Y900 L903 F907	F867-L883 HydrophobicContact CB-CB 4.42Å; F867-L883 HydrophobicContact CD1-CB 4.45Å; F867-L883 PolarHBondContact O-N 3.44Å; V869-L883 HydrophobicContact CG1-CD1 3.72Å; V869-L883 HydrophobicContact CG1-CD2 3.97Å; V869-L883 HydrophobicContact CG1-CG 3.88Å; V869-L883 HydrophobicContact CG2-CD2 3.85Å; V869-L883 HydrophobicContact CG2-CG 4.33Å; L883-Y900 HydrophobicContact CD1-CD2 3.77Å; L883-Y900 HydrophobicContact CD1-CE2 3.8Å; L883-L903 HydrophobicContact CB-CB 4.16Å; L883-L903 HydrophobicContact CB-CD1 4.4Å; L883-L903 HydrophobicContact CD1-CB 4.28Å; L883-F907 HydrophobicContact CD2-CB 3.77Å; L883-F907 HydrophobicContact CD2-CD1 4.45Å; L883-F907 HydrophobicContact CD2-CG 4.12Å
884	K	95.6	Very high	90	Very high	45 Å²	45	66 Å²	66	20%	0.196	38%	0.378	C	S	.	.	S	Bend	trans	-156	166.1	174.4	67.3	-176.5	178.4	-176.2	0	109.5	F867 E882 D886 G887 I890 E899 L903	F867-K884 HydrophobicContact CB-CG 4.1Å; F867-K884 HydrophobicContact CD1-CD 3.68Å; F867-K884 HydrophobicContact CD1-CG 4Å; F867-K884 HydrophobicContact CE1-CD 4.04Å; F867-K884 HydrophobicContact CG-CD 4.17Å; F867-K884 VanDerWaalsContact CG-CE 3.48Å; F867-K884 HydrophobicContact CG-CG 4.27Å; E882-K884 PolarHBondContact O-N 3.1Å; K884-D886 PolarHBondContact O-N 3.35Å; K884-G887 WeakPolarHBondContact O-CA 3.36Å; K884-G887 PolarHBondContact O-N 3.41Å; K884-I890 HydrophobicContact CG-CD1 4.48Å; K884-E899 VanDerWaalsContact CD-OE1 3.24Å; K884-E899 WeakPolarHBondContact CD-OE1 3.46Å; K884-E899 IonicContact NZ-OE1 3.08Å; K884-E899 PolarHBondContact NZ-OE1 2.91Å; K884-E899 IonicContact NZ-OE2 3.75Å; K884-E899 PolarHBondContact NZ-OE2 2.93Å; K884-L903 HydrophobicContact CB-CD1 4.36Å; K884-L903 HydrophobicContact CD-CD1 4.33Å
885	P	95.3	Very high	91.3	Very high	112 Å²	112	70.7 Å²	70.7	73%	0.727	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	137.6	177.9	-27.3	36.3	0	0	0	112.9	G887	P885-G887 PolarHBondContact O-N 2.92Å
886	D	93.7	Very high	92.4	Very high	119 Å²	119	64.7 Å²	64.7	64%	0.636	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	18.5	-173.1	-56	-53.7	0	0	0	114.5	E882 K884 A888 T889 I890	E882-D886 VanDerWaalsContact OE2-C 3.22Å; K884-D886 PolarHBondContact O-N 3.35Å; D886-A888 PolarHBondContact O-N 3.11Å; D886-A888 VanDerWaalsContact O-N 3.14Å; D886-T889 WeakPolarHBondContact O-CA 3.33Å; D886-T889 WeakPolarHBondContact O-CB 3.38Å; D886-T889 PolarHBondContact O-N 3.02Å; D886-T889 PolarHBondContact O-OG1 3.06Å; D886-I890 PolarHBondContact O-N 3.42Å
887	G	94.5	Very high	93.2	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-56.6	-31.2	-172	0	0	0	0	0	114.4	S866 F867 E882 K884 P885 T889 I890	S866-G887 WeakPolarHBondContact CB-O 3.3Å; F867-G887 CarbonylContact C-O 3.51Å; F867-G887 WeakPolarHBondContact CA-O 3.47Å; F867-G887 WeakPolarHBondContact CB-O 3.49Å; F867-G887 PolarHBondContact N-O 3.35Å; F867-G887 CarbonylContact O-C 3.59Å; F867-G887 WeakPolarHBondContact O-CA 3.41Å; E882-G887 PolarHBondContact OE2-N 2.85Å; K884-G887 WeakPolarHBondContact O-CA 3.36Å; K884-G887 PolarHBondContact O-N 3.41Å; P885-G887 PolarHBondContact O-N 2.92Å; G887-T889 PolarHBondContact O-N 2.91Å; G887-I890 PolarHBondContact O-N 3.1Å
888	A	93.4	Very high	93.8	Very high	44 Å²	44	66.3 Å²	66.3	36%	0.364	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-61.9	-25.8	173.7	0	0	0	0	0	113.2	S866 E882 D886	S866-A888 WeakPolarHBondContact CB-O 3.49Å; S866-A888 PolarHBondContact OG-O 2.74Å; E882-A888 VanDerWaalsContact CD-CB 3.47Å; E882-A888 HydrophobicContact CG-CB 3.99Å; E882-A888 WeakPolarHBondContact OE1-CB 3.36Å; E882-A888 PolarHBondContact OE2-N 3.39Å; D886-A888 PolarHBondContact O-N 3.11Å; D886-A888 VanDerWaalsContact O-N 3.14Å
889	T	94.4	Very high	94.3	Very high	111 Å²	111	65.4 Å²	65.4	68%	0.681	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-92.4	-13.3	179.5	74.9	0	0	0	0	114.1	D886 G887 P891	D886-T889 WeakPolarHBondContact O-CA 3.33Å; D886-T889 WeakPolarHBondContact O-CB 3.38Å; D886-T889 PolarHBondContact O-N 3.02Å; D886-T889 PolarHBondContact O-OG1 3.06Å; G887-T889 PolarHBondContact O-N 2.91Å; T889-P891 WeakPolarHBondContact O-CD 3.22Å
890	I	96	Very high	94.8	Very high	50 Å²	50	64 Å²	64	26%	0.256	34%	0.336	S	S	.	.	S	Bend	trans	-95.7	110.2	-174.2	-60.9	170.9	0	0	0	109	S866 F867 K884 D886 G887	S866-I890 CarbonylContact C-O 3.59Å; S866-I890 WeakPolarHBondContact CA-O 3.44Å; S866-I890 VanDerWaalsContact CB-O 3.22Å; S866-I890 WeakPolarHBondContact CB-O 3.45Å; F867-I890 HydrophobicContact CD2-CB 4.25Å; F867-I890 HydrophobicContact CD2-CG2 3.8Å; F867-I890 HydrophobicContact CE2-CG2 4.11Å; F867-I890 PolarHBondContact N-O 2.94Å; K884-I890 HydrophobicContact CG-CD1 4.48Å; D886-I890 PolarHBondContact O-N 3.42Å; G887-I890 PolarHBondContact O-N 3.1Å
891	P	95.4	Very high	95.1	Very high	45 Å²	45	60 Å²	60	29%	0.292	31%	0.312	S	S	.	.	B	Isolated β-bridge	trans	-70.3	151.6	178.8	28.9	-34.5	0	0	0	112.1	E860 T889 N896	E860-P891 HydrophobicContact CG-CB 3.91Å; T889-P891 WeakPolarHBondContact O-CD 3.22Å; P891-N896 PolarHBondContact O-ND2 3.22Å
892	V	95.9	Very high	95.3	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.006	31%	0.313	C	S	.	.			trans	-79.5	125.8	170.8	-178.1	0	0	0	0	109.6	L851 I859 C865 F867 N896 R897 Y900	L851-V892 HydrophobicContact CD1-CG1 4.18Å; L851-V892 HydrophobicContact CD2-CG1 4.16Å; I859-V892 HydrophobicContact CG2-CG1 4.38Å; C865-V892 HydrophobicContact CB-CB 4.11Å; C865-V892 HydrophobicContact CB-CG2 3.7Å; C865-V892 PolarHBondContact O-N 3.12Å; F867-V892 HydrophobicContact CD2-CG2 4.18Å; F867-V892 HydrophobicContact CE2-CG2 4.15Å; V892-N896 WeakPolarHBondContact CA-OD1 3.33Å; V892-R897 HydrophobicContact CG1-CB 3.97Å; V892-Y900 HydrophobicContact CG1-CD1 4.28Å; V892-Y900 HydrophobicContact CG1-CG 4.28Å; V892-Y900 HydrophobicContact CG2-CD1 4.07Å; V892-Y900 HydrophobicContact CG2-CD2 3.54Å; V892-Y900 HydrophobicContact CG2-CE1 4.4Å; V892-Y900 HydrophobicContact CG2-CE2 3.93Å; V892-Y900 HydrophobicContact CG2-CG 3.62Å
893	T	94.1	Very high	95.4	Very high	38 Å²	38	58.4 Å²	58.4	23%	0.233	31%	0.309	C	S	.	.			trans	-127.2	172.4	-173.1	58	0	0	0	0	110.3	E895 N896 R897	T893-E895 PolarHBondContact O-N 3.09Å; T893-N896 PolarHBondContact N-OD1 2.94Å; T893-N896 PolarHBondContact O-N 3.22Å; T893-N896 PolarHBondContact O-OD1 3.31Å; T893-N896 PolarHBondContact OG1-N 3.04Å; T893-N896 PolarHBondContact OG1-ND2 3.21Å; T893-N896 PolarHBondContact OG1-OD1 3.39Å; T893-R897 VanDerWaalsContact O-CB 3.27Å; T893-R897 WeakPolarHBondContact O-CB 3.33Å; T893-R897 PolarHBondContact O-N 2.93Å
894	K	92.7	Very high	95.4	Very high	68 Å²	68	59.3 Å²	59.3	30%	0.296	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-28.8	-177.9	-164.9	175.2	-170.1	176.6	0	113	E855 D857 I859 R897	E855-K894 WeakPolarHBondContact O-CE 3.4Å; E855-K894 PolarHBondContact O-NZ 2.9Å; D857-K894 WeakPolarHBondContact OD1-CD 3.47Å; D857-K894 IonicContact OD1-NZ 3.58Å; D857-K894 PolarHBondContact OD1-NZ 2.77Å; I859-K894 HydrophobicContact CD1-CB 4.08Å; I859-K894 HydrophobicContact CD1-CG 4.26Å; K894-R897 WeakPolarHBondContact O-CG 3.41Å; K894-R897 PolarHBondContact O-NE 2.89Å
895	E	93.4	Very high	95.5	Very high	160 Å²	160	57.2 Å²	57.2	75%	0.748	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-45	179.4	-63.2	67.7	-153	0	0	111.6	T893	T893-E895 PolarHBondContact O-N 3.09Å
896	N	95.1	Very high	95.5	Very high	26 Å²	26	53.1 Å²	53.1	14%	0.139	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-7.3	-172.5	76.1	20.2	0	0	0	114.6	F867 P891 V892 T893 K898 E899 Y900	F867-N896 HydrophobicContact CE2-CB 4.21Å; F867-N896 VanDerWaalsContact CE2-CG 3.47Å; F867-N896 WeakPolarHBondContact CE2-OD1 3.29Å; F867-N896 HydrophobicContact CZ-CB 3.94Å; P891-N896 PolarHBondContact O-ND2 3.22Å; V892-N896 WeakPolarHBondContact CA-OD1 3.33Å; T893-N896 PolarHBondContact N-OD1 2.94Å; T893-N896 PolarHBondContact O-N 3.22Å; T893-N896 PolarHBondContact O-OD1 3.31Å; T893-N896 PolarHBondContact OG1-N 3.04Å; T893-N896 PolarHBondContact OG1-ND2 3.21Å; T893-N896 PolarHBondContact OG1-OD1 3.39Å; N896-K898 PolarHBondContact O-N 3.08Å; N896-K898 VanDerWaalsContact O-N 3.08Å; N896-E899 VanDerWaalsContact O-CB 3.25Å; N896-E899 WeakPolarHBondContact O-CB 3.31Å; N896-E899 PolarHBondContact O-N 3.24Å; N896-Y900 PolarHBondContact O-N 3.33Å
897	R	95.5	Very high	95.6	Very high	42 Å²	42	48.1 Å²	48.1	16%	0.158	25%	0.249	C	C	.	.	H	α-helix	trans	-54	-30.3	-180	60.3	-177.1	178	167.1	-0.1	115.5	L851 L852 Y854 V892 T893 K894 Y900 V901	L851-R897 HydrophobicContact CD1-CB 4.32Å; L851-R897 HydrophobicContact CG-CB 4.19Å; L851-R897 WeakPolarHBondContact O-CD 3.34Å; L851-R897 PolarHBondContact O-NH1 2.84Å; L852-R897 HydrophobicContact CD2-CG 4.38Å; L852-R897 PolarHBondContact O-NH1 3.16Å; L852-R897 PolarHBondContact O-NH2 3.39Å; Y854-R897 PolarHBondContact O-NH1 2.86Å; V892-R897 HydrophobicContact CG1-CB 3.97Å; T893-R897 VanDerWaalsContact O-CB 3.27Å; T893-R897 WeakPolarHBondContact O-CB 3.33Å; T893-R897 PolarHBondContact O-N 2.93Å; K894-R897 WeakPolarHBondContact O-CG 3.41Å; K894-R897 PolarHBondContact O-NE 2.89Å; R897-Y900 PolarHBondContact O-N 2.83Å; R897-V901 WeakPolarHBondContact O-CG2 3.43Å; R897-V901 PolarHBondContact O-N 2.89Å
898	K	95.7	Very high	95.6	Very high	130 Å²	130	48.9 Å²	48.9	57%	0.565	25%	0.253	S	S	*	.	H	α-helix	trans	-68.8	-48.2	176.4	-161.9	-155.1	169.6	-155.6	0	110.3	L852 N896 Y900 V901 D902	L852-K898 HydrophobicContact CD2-CB 4.37Å; L852-K898 HydrophobicContact CD2-CG 4.45Å; N896-K898 PolarHBondContact O-N 3.08Å; N896-K898 VanDerWaalsContact O-N 3.08Å; K898-Y900 VanDerWaalsContact C-N 3.26Å; K898-Y900 PolarHBondContact O-N 2.84Å; K898-V901 PolarHBondContact O-N 2.96Å; K898-V901 VanDerWaalsContact O-N 3.11Å; K898-D902 WeakPolarHBondContact CE-OD2 3.5Å; K898-D902 IonicContact NZ-OD2 2.8Å; K898-D902 PolarHBondContact NZ-OD2 2.89Å; K898-D902 WeakPolarHBondContact O-CB 3.32Å; K898-D902 VanDerWaalsContact O-CG 3.22Å; K898-D902 PolarHBondContact O-N 2.96Å
899	E	97	Very high	95.8	Very high	78 Å²	78	47 Å²	47	36%	0.364	24%	0.237	S	C	.	.	H	α-helix	trans	-53.6	-43.3	172.5	-169.5	-153.9	167.3	0	0	111.3	F867 K884 N896 L903	F867-E899 HydrophobicContact CE1-CB 4.18Å; F867-E899 HydrophobicContact CE1-CG 3.97Å; F867-E899 HydrophobicContact CZ-CB 4.27Å; F867-E899 HydrophobicContact CZ-CG 4.41Å; F867-E899 WeakPolarHBondContact CZ-OE2 3.14Å; K884-E899 VanDerWaalsContact CD-OE1 3.24Å; K884-E899 WeakPolarHBondContact CD-OE1 3.46Å; K884-E899 IonicContact NZ-OE1 3.08Å; K884-E899 PolarHBondContact NZ-OE1 2.91Å; K884-E899 IonicContact NZ-OE2 3.75Å; K884-E899 PolarHBondContact NZ-OE2 2.93Å; N896-E899 VanDerWaalsContact O-CB 3.25Å; N896-E899 WeakPolarHBondContact O-CB 3.31Å; N896-E899 PolarHBondContact O-N 3.24Å; E899-L903 HydrophobicContact CG-CD1 4Å; E899-L903 VanDerWaalsContact O-CB 3.28Å; E899-L903 WeakPolarHBondContact O-CB 3.44Å; E899-L903 VanDerWaalsContact O-CG 3.23Å; E899-L903 WeakPolarHBondContact O-CG 3.35Å; E899-L903 PolarHBondContact O-N 2.93Å
900	Y	97.4	Very high	95.9	Very high	13 Å²	13	42 Å²	42	5%	0.051	21%	0.206	C	C	.	.	H	α-helix	trans	-60.9	-47.2	175.5	173.5	-102	0	0	0	112.8	L848 L851 S866 F867 L883 V892 N896 R897 K898 Y904	L848-Y900 HydrophobicContact CD2-CE1 4Å; L851-Y900 HydrophobicContact CD2-CD1 3.59Å; L851-Y900 HydrophobicContact CD2-CE1 3.76Å; S866-Y900 WeakPolarHBondContact O-CE2 3.33Å; F867-Y900 HydrophobicContact CD1-CD2 4.26Å; F867-Y900 HydrophobicContact CD2-CD2 4.44Å; F867-Y900 HydrophobicContact CG-CD2 4.23Å; L883-Y900 HydrophobicContact CD1-CD2 3.77Å; L883-Y900 HydrophobicContact CD1-CE2 3.8Å; V892-Y900 HydrophobicContact CG1-CD1 4.28Å; V892-Y900 HydrophobicContact CG1-CG 4.28Å; V892-Y900 HydrophobicContact CG2-CD1 4.07Å; V892-Y900 HydrophobicContact CG2-CD2 3.54Å; V892-Y900 HydrophobicContact CG2-CE1 4.4Å; V892-Y900 HydrophobicContact CG2-CE2 3.93Å; V892-Y900 HydrophobicContact CG2-CG 3.62Å; N896-Y900 PolarHBondContact O-N 3.33Å; R897-Y900 PolarHBondContact O-N 2.83Å; K898-Y900 VanDerWaalsContact C-N 3.26Å; K898-Y900 PolarHBondContact O-N 2.84Å; Y900-Y904 HydrophobicContact CE1-CD2 4.07Å; Y900-Y904 AromaticContact CZ-CD2 3.84Å; Y900-Y904 WeakPolarHBondContact O-CB 3.31Å; Y900-Y904 PolarHBondContact O-N 3.44Å
901	V	97.4	Very high	95.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-68.4	-41	179.4	172.8	0	0	0	0	111.7	F834 L848 L851 L852 R897 K898 S905	F834-V901 HydrophobicContact CB-CG1 4.07Å; F834-V901 HydrophobicContact CD1-CG1 4.22Å; F834-V901 HydrophobicContact CD2-CG1 3.45Å; F834-V901 VanDerWaalsContact CD2-CG1 3.45Å; F834-V901 HydrophobicContact CE2-CG1 3.95Å; F834-V901 HydrophobicContact CG-CG1 3.62Å; F834-V901 HydrophobicContact CZ-CG1 4.5Å; L848-V901 HydrophobicContact CB-CG1 4.16Å; L848-V901 HydrophobicContact CB-CG2 4.05Å; L848-V901 HydrophobicContact CD1-CG1 4.44Å; L848-V901 HydrophobicContact CD2-CG2 4.15Å; L851-V901 HydrophobicContact CD2-CG2 4.14Å; L852-V901 HydrophobicContact CD1-CG1 4.13Å; L852-V901 HydrophobicContact CD1-CG2 4.46Å; L852-V901 HydrophobicContact CD2-CB 4.27Å; L852-V901 HydrophobicContact CD2-CG2 3.95Å; L852-V901 HydrophobicContact CG-CG2 4.03Å; R897-V901 WeakPolarHBondContact O-CG2 3.43Å; R897-V901 PolarHBondContact O-N 2.89Å; K898-V901 PolarHBondContact O-N 2.96Å; K898-V901 VanDerWaalsContact O-N 3.11Å; V901-S905 VanDerWaalsContact O-CB 3.29Å; V901-S905 WeakPolarHBondContact O-CB 3.44Å; V901-S905 PolarHBondContact O-N 2.89Å; V901-S905 PolarHBondContact O-OG 2.86Å
902	D	96.5	Very high	95.7	Very high	69 Å²	69	42.3 Å²	42.3	37%	0.369	21%	0.207	S	C	.	.	H	α-helix	trans	-63.8	-47	178.1	-66.9	-20.6	0	0	0	110.4	K898 S905 S906	K898-D902 WeakPolarHBondContact CE-OD2 3.5Å; K898-D902 IonicContact NZ-OD2 2.8Å; K898-D902 PolarHBondContact NZ-OD2 2.89Å; K898-D902 WeakPolarHBondContact O-CB 3.32Å; K898-D902 VanDerWaalsContact O-CG 3.22Å; K898-D902 PolarHBondContact O-N 2.96Å; D902-S905 PolarHBondContact O-N 3.44Å; D902-S906 PolarHBondContact O-N 2.84Å
903	L	97.2	Very high	95.7	Very high	58 Å²	58	42.2 Å²	42.2	30%	0.304	21%	0.207	S	C	.	.	H	α-helix	trans	-66.2	-42.6	176.5	-71.5	173.5	0	0	0	113.1	F867 L883 K884 E899 S905 S906 F907	F867-L903 HydrophobicContact CD1-CD1 4.01Å; F867-L903 HydrophobicContact CE1-CD1 4.01Å; L883-L903 HydrophobicContact CB-CB 4.16Å; L883-L903 HydrophobicContact CB-CD1 4.4Å; L883-L903 HydrophobicContact CD1-CB 4.28Å; K884-L903 HydrophobicContact CB-CD1 4.36Å; K884-L903 HydrophobicContact CD-CD1 4.33Å; E899-L903 HydrophobicContact CG-CD1 4Å; E899-L903 VanDerWaalsContact O-CB 3.28Å; E899-L903 WeakPolarHBondContact O-CB 3.44Å; E899-L903 VanDerWaalsContact O-CG 3.23Å; E899-L903 WeakPolarHBondContact O-CG 3.35Å; E899-L903 PolarHBondContact O-N 2.93Å; L903-S905 VanDerWaalsContact C-N 3.32Å; L903-S905 PolarHBondContact O-N 2.82Å; L903-S906 PolarHBondContact O-N 2.97Å; L903-F907 WeakPolarHBondContact O-CB 3.47Å; L903-F907 PolarHBondContact O-N 3.38Å
904	Y	97	Very high	95.7	Very high	36 Å²	36	44 Å²	44	14%	0.141	21%	0.211	C	C	.	.	H	α-helix	trans	-63.4	-41	177.5	-166.4	-4	0	0	0	110.5	L844 L848 V869 Y900 F907 L908	L844-Y904 HydrophobicContact CD1-CE2 4.08Å; L844-Y904 HydrophobicContact CD2-CE1 4.41Å; L848-Y904 HydrophobicContact CD1-CD2 4.21Å; L848-Y904 HydrophobicContact CD2-CD2 3.73Å; L848-Y904 HydrophobicContact CD2-CE2 4.05Å; V869-Y904 HydrophobicContact CB-CD1 4.25Å; V869-Y904 HydrophobicContact CB-CE1 3.89Å; V869-Y904 HydrophobicContact CG1-CD1 3.6Å; V869-Y904 HydrophobicContact CG1-CD2 3.78Å; V869-Y904 HydrophobicContact CG1-CE1 3.61Å; V869-Y904 HydrophobicContact CG1-CE2 3.79Å; V869-Y904 HydrophobicContact CG1-CG 3.71Å; V869-Y904 HydrophobicContact CG2-CE1 4.44Å; Y900-Y904 HydrophobicContact CE1-CD2 4.07Å; Y900-Y904 AromaticContact CZ-CD2 3.84Å; Y900-Y904 WeakPolarHBondContact O-CB 3.31Å; Y900-Y904 PolarHBondContact O-N 3.44Å; Y904-F907 PolarHBondContact O-N 3.01Å; Y904-L908 HydrophobicContact CD1-CD1 3.84Å; Y904-L908 HydrophobicContact CD1-CG 3.91Å; Y904-L908 HydrophobicContact CE1-CD1 3.58Å; Y904-L908 HydrophobicContact CE1-CD2 4.26Å; Y904-L908 HydrophobicContact CE1-CG 3.86Å; Y904-L908 PolarHBondContact O-N 3.01Å; Y904-L908 VanDerWaalsContact O-N 3.12Å
905	S	97	Very high	95.8	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.007	22%	0.216	C	C	.	.	H	α-helix	trans	-65	-43.4	176.9	-54.2	0	0	0	0	111.9	F834 L837 V901 D902 L903 L909	F834-S905 WeakPolarHBondContact CA-OG 3.42Å; L837-S905 WeakPolarHBondContact CD1-OG 3.15Å; V901-S905 VanDerWaalsContact O-CB 3.29Å; V901-S905 WeakPolarHBondContact O-CB 3.44Å; V901-S905 PolarHBondContact O-N 2.89Å; V901-S905 PolarHBondContact O-OG 2.86Å; D902-S905 PolarHBondContact O-N 3.44Å; L903-S905 VanDerWaalsContact C-N 3.32Å; L903-S905 PolarHBondContact O-N 2.82Å; S905-L909 WeakPolarHBondContact O-CB 3.48Å; S905-L909 WeakPolarHBondContact O-CG 3.35Å; S905-L909 PolarHBondContact O-N 2.8Å; S905-L909 VanDerWaalsContact O-N 3.16Å
906	S	96.7	Very high	95.9	Very high	27 Å²	27	38.3 Å²	38.3	19%	0.189	18%	0.184	C	C	.	.	H	α-helix	trans	-63.1	-45.7	174.3	-170.3	0	0	0	0	111.7	D902 L903 L908 L909 N910 D911	D902-S906 PolarHBondContact O-N 2.84Å; L903-S906 PolarHBondContact O-N 2.97Å; S906-L908 VanDerWaalsContact C-N 3.34Å; S906-L908 PolarHBondContact O-N 3.13Å; S906-L909 PolarHBondContact O-N 3.43Å; S906-N910 WeakPolarHBondContact O-CA 3.4Å; S906-N910 WeakPolarHBondContact O-CB 3.27Å; S906-N910 PolarHBondContact O-N 3.09Å; S906-N910 PolarHBondContact OG-ND2 2.74Å; S906-D911 WeakPolarHBondContact CB-OD2 3.5Å; S906-D911 PolarHBondContact O-N 3.5Å; S906-D911 VanDerWaalsContact O-N 3.11Å; S906-D911 VanDerWaalsContact O-OD2 3.13Å; S906-D911 PolarHBondContact OG-OD2 2.94Å
907	F	95.7	Very high	96	Very high	13 Å²	13	37.4 Å²	37.4	6%	0.057	18%	0.179	C	C	.	.	H	α-helix	trans	-56.2	-47.5	-179.3	173.7	-104.9	0	0	0	112	V869 Y871 H881 L883 L903 Y904 D911 S912	V869-F907 HydrophobicContact CG2-CD1 3.78Å; V869-F907 HydrophobicContact CG2-CE1 3.8Å; Y871-F907 HydrophobicContact CD1-CE1 4.12Å; Y871-F907 HydrophobicContact CD1-CZ 4.26Å; Y871-F907 HydrophobicContact CE1-CE1 4.11Å; Y871-F907 AromaticContact CE1-CZ 3.77Å; Y871-F907 HydrophobicContact CE1-CZ 3.77Å; H881-F907 HydrophobicContact CB-CE1 4.34Å; H881-F907 HydrophobicContact CB-CE2 4.14Å; H881-F907 HydrophobicContact CB-CZ 3.79Å; H881-F907 AromaticContact CD2-CD2 3.38Å; H881-F907 WeakPolarHBondContact CD2-CD2 3.44Å; H881-F907 AromaticContact CD2-CE2 3.23Å; H881-F907 WeakPolarHBondContact CD2-CE2 3.2Å; H881-F907 AromaticContact CD2-CG 3.98Å; H881-F907 AromaticContact CD2-CZ 3.72Å; H881-F907 AromaticContact CE1-CE2 3.65Å; H881-F907 AromaticContact CG-CE2 3.45Å; H881-F907 VanDerWaalsContact CG-CE2 3.45Å; H881-F907 AromaticContact CG-CZ 3.64Å; H881-F907 AromaticContact ND1-CE2 3.7Å; H881-F907 AromaticContact NE2-CD2 3.36Å; H881-F907 WeakPolarHBondContact NE2-CD2 3.06Å; H881-F907 AromaticContact NE2-CE2 3.37Å; H881-F907 WeakPolarHBondContact NE2-CE2 2.95Å; L883-F907 HydrophobicContact CD2-CB 3.77Å; L883-F907 HydrophobicContact CD2-CD1 4.45Å; L883-F907 HydrophobicContact CD2-CG 4.12Å; L903-F907 WeakPolarHBondContact O-CB 3.47Å; L903-F907 PolarHBondContact O-N 3.38Å; Y904-F907 PolarHBondContact O-N 3.01Å; F907-D911 PolarHBondContact N-OD2 2.87Å; F907-S912 WeakPolarHBondContact O-CB 3.25Å; F907-S912 PolarHBondContact O-N 3.39Å; F907-S912 PolarHBondContact O-OG 3.03Å
908	L	94.7	Very high	96	Very high	16 Å²	16	36 Å²	36	8%	0.084	17%	0.174	C	C	.	.	H	α-helix	trans	-71.1	-35.1	-179	-70.9	-179.8	0	0	0	114.3	W785 L837 L844 Y904 S906	W785-L908 PolarHBondContact NE1-O 3.46Å; L837-L908 HydrophobicContact CD2-CD1 4.42Å; L844-L908 HydrophobicContact CD2-CD1 3.38Å; Y904-L908 HydrophobicContact CD1-CD1 3.84Å; Y904-L908 HydrophobicContact CD1-CG 3.91Å; Y904-L908 HydrophobicContact CE1-CD1 3.58Å; Y904-L908 HydrophobicContact CE1-CD2 4.26Å; Y904-L908 HydrophobicContact CE1-CG 3.86Å; Y904-L908 PolarHBondContact O-N 3.01Å; Y904-L908 VanDerWaalsContact O-N 3.12Å; S906-L908 VanDerWaalsContact C-N 3.34Å; S906-L908 PolarHBondContact O-N 3.13Å
909	L	96.5	Very high	95.9	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.026	15%	0.147	C	C	.	.	H	α-helix	trans	-102.7	-18.3	-169.6	-59.9	173.6	0	0	0	114	W785 V822 K826 T833 D836 L837 A840 S905 S906	W785-L909 HydrophobicContact CZ2-CD2 4.21Å; V822-L909 HydrophobicContact CG1-CD2 4.23Å; V822-L909 HydrophobicContact CG2-CD1 4.41Å; V822-L909 HydrophobicContact CG2-CD2 4.36Å; K826-L909 WeakPolarHBondContact CD-O 3.43Å; K826-L909 WeakPolarHBondContact CE-O 3.4Å; K826-L909 PolarHBondContact NZ-O 3.47Å; T833-L909 VanDerWaalsContact O-CD1 3.28Å; T833-L909 WeakPolarHBondContact O-CD1 3.29Å; D836-L909 HydrophobicContact CB-CD1 4.01Å; L837-L909 HydrophobicContact CD2-CD1 3.78Å; L837-L909 HydrophobicContact CD2-CD2 3.97Å; L837-L909 HydrophobicContact CD2-CG 3.93Å; L837-L909 HydrophobicContact CG-CD1 4.01Å; A840-L909 HydrophobicContact CB-CD2 4.34Å; S905-L909 WeakPolarHBondContact O-CB 3.48Å; S905-L909 WeakPolarHBondContact O-CG 3.35Å; S905-L909 PolarHBondContact O-N 2.8Å; S905-L909 VanDerWaalsContact O-N 3.16Å; S906-L909 PolarHBondContact O-N 3.43Å
910	N	97	Very high	95.9	Very high	7 Å²	7	26 Å²	26	4%	0.037	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-65.9	-177.6	-51.4	-47.5	0	0	0	110.8	K826 L831 G832 S906 V913 K914	K826-N910 PolarHBondContact NZ-OD1 2.99Å; L831-N910 HydrophobicContact CD2-CB 4.36Å; G832-N910 PolarHBondContact N-OD1 3.06Å; G832-N910 PolarHBondContact O-ND2 3.44Å; S906-N910 WeakPolarHBondContact O-CA 3.4Å; S906-N910 WeakPolarHBondContact O-CB 3.27Å; S906-N910 PolarHBondContact O-N 3.09Å; S906-N910 PolarHBondContact OG-ND2 2.74Å; N910-V913 PolarHBondContact O-N 3.43Å; N910-K914 WeakPolarHBondContact O-CA 3.28Å; N910-K914 WeakPolarHBondContact O-CB 3.36Å; N910-K914 PolarHBondContact O-N 3.43Å; N910-K914 VanDerWaalsContact O-N 3.07Å
911	D	94.6	Very high	95.8	Very high	78 Å²	78	26.6 Å²	26.6	42%	0.417	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-76.4	-44.8	-159	-52.6	-68.3	0	0	0	113.1	S906 F907 V913 K914	S906-D911 WeakPolarHBondContact CB-OD2 3.5Å; S906-D911 PolarHBondContact O-N 3.5Å; S906-D911 VanDerWaalsContact O-N 3.11Å; S906-D911 VanDerWaalsContact O-OD2 3.13Å; S906-D911 PolarHBondContact OG-OD2 2.94Å; F907-D911 PolarHBondContact N-OD2 2.87Å; D911-V913 PolarHBondContact O-N 3.38Å; D911-V913 VanDerWaalsContact O-N 3.17Å; D911-K914 WeakPolarHBondContact O-CB 3.25Å; D911-K914 PolarHBondContact O-N 3.27Å
912	S	93.2	Very high	95.6	Very high	22 Å²	22	28 Å²	28	15%	0.154	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-66	-15.5	178.7	62.7	0	0	0	0	114.6	P788 F907	P788-S912 WeakPolarHBondContact CA-O 3.41Å; P788-S912 VanDerWaalsContact CB-O 3.28Å; P788-S912 WeakPolarHBondContact CB-O 3.28Å; F907-S912 WeakPolarHBondContact O-CB 3.25Å; F907-S912 PolarHBondContact O-N 3.39Å; F907-S912 PolarHBondContact O-OG 3.03Å
913	V	94.6	Very high	95.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-121.7	11	-177.9	-61	0	0	0	0	112.7	W785 F786 P788 N910 D911 K915 Q916 F917	W785-V913 HydrophobicContact CZ2-CG2 4Å; F786-V913 HydrophobicContact CB-CB 3.95Å; F786-V913 HydrophobicContact CB-CG1 3.79Å; F786-V913 HydrophobicContact CD2-CB 4.46Å; F786-V913 HydrophobicContact CG-CB 4.45Å; P788-V913 HydrophobicContact CB-CG1 4.39Å; N910-V913 PolarHBondContact O-N 3.43Å; D911-V913 PolarHBondContact O-N 3.38Å; D911-V913 VanDerWaalsContact O-N 3.17Å; V913-K915 PolarHBondContact O-N 2.98Å; V913-Q916 VanDerWaalsContact C-OE1 3.24Å; V913-Q916 PolarHBondContact O-N 3.43Å; V913-Q916 PolarHBondContact O-OE1 2.94Å; V913-F917 WeakPolarHBondContact O-CB 3.46Å; V913-F917 PolarHBondContact O-N 3.18Å
914	K	95	Very high	95.3	Very high	74 Å²	74	22.1 Å²	22.1	32%	0.322	11%	0.106	S	C	.	.	H	α-helix	trans	-61	-40.2	-168.3	-171.2	167.2	-179.2	124.5	0	113.4	E583 N910 D911 N918	E583-K914 WeakPolarHBondContact OE1-CE 3.46Å; E583-K914 IonicContact OE1-NZ 3.47Å; E583-K914 PolarHBondContact OE1-NZ 3.49Å; E583-K914 IonicContact OE2-NZ 2.69Å; E583-K914 PolarHBondContact OE2-NZ 3.47Å; N910-K914 WeakPolarHBondContact O-CA 3.28Å; N910-K914 WeakPolarHBondContact O-CB 3.36Å; N910-K914 PolarHBondContact O-N 3.43Å; N910-K914 VanDerWaalsContact O-N 3.07Å; D911-K914 WeakPolarHBondContact O-CB 3.25Å; D911-K914 PolarHBondContact O-N 3.27Å; K914-N918 VanDerWaalsContact O-CB 3.28Å; K914-N918 WeakPolarHBondContact O-CB 3.33Å; K914-N918 VanDerWaalsContact O-CG 3.29Å; K914-N918 PolarHBondContact O-N 3.13Å; K914-N918 PolarHBondContact O-OD1 3.21Å
915	K	94.2	Very high	95	Very high	95 Å²	95	22.1 Å²	22.1	41%	0.413	11%	0.107	S	C	.	.	H	α-helix	trans	-67.5	-49.3	179	-170.1	-176.9	-176.2	-172	0	111.1	D793 E795 V913 N918 A919	D793-K915 IonicContact OD1-NZ 3.23Å; D793-K915 PolarHBondContact OD1-NZ 3.32Å; D793-K915 IonicContact OD2-NZ 3.76Å; D793-K915 PolarHBondContact OD2-NZ 2.87Å; E795-K915 WeakPolarHBondContact OE2-CE 3.3Å; E795-K915 IonicContact OE2-NZ 3.17Å; E795-K915 PolarHBondContact OE2-NZ 3.46Å; V913-K915 PolarHBondContact O-N 2.98Å; K915-N918 PolarHBondContact O-N 2.94Å; K915-A919 WeakPolarHBondContact O-CB 3.42Å; K915-A919 PolarHBondContact O-N 2.99Å
916	Q	95.4	Very high	94.6	Very high	14 Å²	14	22.9 Å²	22.9	7%	0.065	11%	0.111	C	C	.	.	H	α-helix	trans	-61	-47.4	-179	-57.8	87.4	-34.3	0	0	110.6	F786 N787 P788 Y798 V913 F920	F786-Q916 HydrophobicContact CB-CB 4.17Å; F786-Q916 HydrophobicContact CD1-CB 3.82Å; F786-Q916 HydrophobicContact CG-CB 4.25Å; N787-Q916 PolarHBondContact O-NE2 3.19Å; P788-Q916 PolarHBondContact O-NE2 3.12Å; Y798-Q916 HydrophobicContact CD1-CB 4.27Å; Y798-Q916 HydrophobicContact CD2-CB 3.84Å; Y798-Q916 HydrophobicContact CD2-CG 3.96Å; Y798-Q916 HydrophobicContact CE1-CB 4.12Å; Y798-Q916 HydrophobicContact CE1-CG 4.43Å; Y798-Q916 HydrophobicContact CE2-CB 3.66Å; Y798-Q916 HydrophobicContact CE2-CG 3.35Å; Y798-Q916 HydrophobicContact CG-CB 4.16Å; V913-Q916 VanDerWaalsContact C-OE1 3.24Å; V913-Q916 PolarHBondContact O-N 3.43Å; V913-Q916 PolarHBondContact O-OE1 2.94Å; Q916-F920 WeakPolarHBondContact O-CB 3.24Å; Q916-F920 PolarHBondContact O-N 2.96Å
917	F	96.9	Very high	94.3	Very high	8 Å²	8	21.6 Å²	21.6	4%	0.035	10%	0.102	C	C	.	.	H	α-helix	trans	-67.8	-41.5	177.3	178.4	-101.2	0	0	0	112.6	F786 L823 K826 L827 V913 A919 F920 R921	F786-F917 HydrophobicContact CE2-CB 4.29Å; F786-F917 AromaticContact CE2-CD2 3.84Å; F786-F917 HydrophobicContact CE2-CD2 3.84Å; F786-F917 HydrophobicContact CZ-CB 4.34Å; F786-F917 AromaticContact CZ-CD2 3.82Å; F786-F917 HydrophobicContact CZ-CD2 3.82Å; L823-F917 HydrophobicContact CD1-CD2 4.21Å; L823-F917 HydrophobicContact CD1-CE2 4.01Å; K826-F917 HydrophobicContact CB-CE1 4.04Å; K826-F917 HydrophobicContact CB-CE2 3.7Å; K826-F917 HydrophobicContact CB-CZ 3.43Å; K826-F917 VanDerWaalsContact CB-CZ 3.43Å; L827-F917 HydrophobicContact CD2-CE2 4.43Å; V913-F917 WeakPolarHBondContact O-CB 3.46Å; V913-F917 PolarHBondContact O-N 3.18Å; F917-A919 VanDerWaalsContact C-N 3.33Å; F917-A919 PolarHBondContact O-N 3.11Å; F917-F920 PolarHBondContact O-N 2.9Å; F917-R921 HydrophobicContact CE1-CB 4.18Å; F917-R921 HydrophobicContact CE1-CG 4.46Å; F917-R921 HydrophobicContact CZ-CB 4.09Å; F917-R921 HydrophobicContact CZ-CG 4.27Å; F917-R921 VanDerWaalsContact O-CB 3.29Å; F917-R921 WeakPolarHBondContact O-CB 3.46Å; F917-R921 PolarHBondContact O-N 2.68Å
918	N	95.9	Very high	94	Very high	11 Å²	11	21.5 Å²	21.5	6%	0.059	10%	0.102	C	C	.	.	H	α-helix	trans	-66.6	-35.9	178	-77.5	16.9	0	0	0	112.1	F587 Q590 K914 K915 R921 R922	F587-N918 HydrophobicContact CD2-CB 4.42Å; Q590-N918 PolarHBondContact OE1-ND2 3.25Å; K914-N918 VanDerWaalsContact O-CB 3.28Å; K914-N918 WeakPolarHBondContact O-CB 3.33Å; K914-N918 VanDerWaalsContact O-CG 3.29Å; K914-N918 PolarHBondContact O-N 3.13Å; K914-N918 PolarHBondContact O-OD1 3.21Å; K915-N918 PolarHBondContact O-N 2.94Å; N918-R921 PolarHBondContact O-N 2.79Å; N918-R922 WeakPolarHBondContact O-CB 3.25Å; N918-R922 PolarHBondContact O-N 3.13Å
919	A	94.7	Very high	93.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63	-48	172.2	0	0	0	0	0	112	E795 C799 K915 F917 R921 R922 G923	E795-A919 HydrophobicContact CG-CB 3.57Å; E795-A919 WeakPolarHBondContact O-CB 3.29Å; C799-A919 VanDerWaalsContact CA-O 3.32Å; C799-A919 WeakPolarHBondContact CA-O 3.22Å; K915-A919 WeakPolarHBondContact O-CB 3.42Å; K915-A919 PolarHBondContact O-N 2.99Å; F917-A919 VanDerWaalsContact C-N 3.33Å; F917-A919 PolarHBondContact O-N 3.11Å; A919-R921 PolarHBondContact O-N 2.67Å; A919-R922 WeakPolarHBondContact O-CB 3.17Å; A919-R922 PolarHBondContact O-N 3.33Å; A919-G923 PolarHBondContact O-N 2.7Å; A919-G923 VanDerWaalsContact O-N 3.13Å
920	F	96.4	Very high	92.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-58.2	-46.4	173.8	-179.4	-78.1	0	0	0	112.2	F786 Y798 I801 G802 L805 F819 L823 L827 Q916 F917 R922 G923 F924	F786-F920 HydrophobicContact CE1-CB 3.85Å; F786-F920 AromaticContact CE1-CD2 3.71Å; F786-F920 HydrophobicContact CE1-CD2 3.71Å; F786-F920 HydrophobicContact CE1-CE2 4.33Å; F786-F920 AromaticContact CE1-CG 3.87Å; F786-F920 HydrophobicContact CE1-CG 3.87Å; F786-F920 HydrophobicContact CZ-CB 4.12Å; F786-F920 HydrophobicContact CZ-CD1 4.18Å; F786-F920 AromaticContact CZ-CD2 3.89Å; F786-F920 HydrophobicContact CZ-CD2 3.89Å; F786-F920 HydrophobicContact CZ-CE2 4.23Å; F786-F920 AromaticContact CZ-CG 3.85Å; F786-F920 HydrophobicContact CZ-CG 3.85Å; Y798-F920 VanDerWaalsContact O-CA 3.31Å; Y798-F920 WeakPolarHBondContact O-CA 3.45Å; I801-F920 HydrophobicContact CB-CD2 4.31Å; I801-F920 HydrophobicContact CB-CE2 4.39Å; I801-F920 HydrophobicContact CG2-CD2 3.88Å; I801-F920 HydrophobicContact CG2-CE2 3.49Å; I801-F920 VanDerWaalsContact CG2-CE2 3.49Å; G802-F920 VanDerWaalsContact CA-O 3.27Å; G802-F920 WeakPolarHBondContact CA-O 3.43Å; L805-F920 HydrophobicContact CD2-CE1 3.93Å; L805-F920 HydrophobicContact CD2-CZ 3.67Å; F819-F920 HydrophobicContact CE2-CE2 4.44Å; F819-F920 HydrophobicContact CE2-CZ 4.42Å; F819-F920 HydrophobicContact CZ-CE2 4.16Å; L823-F920 HydrophobicContact CD1-CD1 4.48Å; L823-F920 HydrophobicContact CD1-CE1 3.86Å; L823-F920 HydrophobicContact CD1-CZ 4.1Å; L823-F920 HydrophobicContact CD2-CE1 4.31Å; L823-F920 HydrophobicContact CD2-CZ 3.88Å; L823-F920 HydrophobicContact CG-CE1 4.46Å; L823-F920 HydrophobicContact CG-CZ 4.5Å; L827-F920 HydrophobicContact CD1-CE1 4.21Å; L827-F920 HydrophobicContact CD2-CD1 4.13Å; L827-F920 HydrophobicContact CD2-CE1 3.87Å; L827-F920 HydrophobicContact CG-CE1 4.31Å; Q916-F920 WeakPolarHBondContact O-CB 3.24Å; Q916-F920 PolarHBondContact O-N 2.96Å; F917-F920 PolarHBondContact O-N 2.9Å; F920-R922 VanDerWaalsContact C-N 3.35Å; F920-R922 PolarHBondContact O-N 3.44Å; F920-G923 PolarHBondContact O-N 2.92Å; F920-F924 WeakPolarHBondContact O-CB 3.4Å; F920-F924 PolarHBondContact O-N 3.48Å
921	R	96	Very high	92.2	Very high	24 Å²	24	23 Å²	23	9%	0.091	11%	0.11	C	C	.	.	H	α-helix	trans	-64.6	-37.4	178.6	-167.7	-175.2	179.2	-174	-0.9	111.9	N584 F587 F917 N918 A919 F924 Q925	N584-R921 VanDerWaalsContact OD1-CZ 3.25Å; N584-R921 PolarHBondContact OD1-NH1 3.14Å; N584-R921 PolarHBondContact OD1-NH2 2.86Å; F587-R921 HydrophobicContact CE1-CG 3.91Å; F587-R921 HydrophobicContact CE2-CB 3.83Å; F587-R921 HydrophobicContact CE2-CG 3.92Å; F587-R921 HydrophobicContact CZ-CB 3.84Å; F587-R921 HydrophobicContact CZ-CG 3.53Å; F917-R921 HydrophobicContact CE1-CB 4.18Å; F917-R921 HydrophobicContact CE1-CG 4.46Å; F917-R921 HydrophobicContact CZ-CB 4.09Å; F917-R921 HydrophobicContact CZ-CG 4.27Å; F917-R921 VanDerWaalsContact O-CB 3.29Å; F917-R921 WeakPolarHBondContact O-CB 3.46Å; F917-R921 PolarHBondContact O-N 2.68Å; N918-R921 PolarHBondContact O-N 2.79Å; A919-R921 PolarHBondContact O-N 2.67Å; R921-F924 PolarHBondContact O-N 3.23Å; R921-Q925 VanDerWaalsContact O-CB 3.27Å; R921-Q925 WeakPolarHBondContact O-CB 3.49Å; R921-Q925 PolarHBondContact O-N 2.74Å
922	R	93.2	Very high	91.9	Very high	30 Å²	30	19.4 Å²	19.4	11%	0.113	9%	0.091	C	C	.	.	H	α-helix	trans	-57.6	-54.6	173.9	-178.5	-163.5	-57.7	147.1	0.1	110.7	F587 M591 H594 E795 N918 A919 F920 F924 Q925 M926	F587-R922 HydrophobicContact CE2-CB 4.44Å; F587-R922 HydrophobicContact CZ-CB 4.49Å; M591-R922 HydrophobicContact SD-CB 4.01Å; M591-R922 HydrophobicContact SD-CG 3.67Å; H594-R922 PolarHBondContact NE2-NH2 3.38Å; E795-R922 IonicContact OE1-CZ 2.83Å; E795-R922 IonicContact OE1-NH1 2.82Å; E795-R922 PolarHBondContact OE1-NH1 3.46Å; E795-R922 IonicContact OE1-NH2 2.84Å; E795-R922 PolarHBondContact OE1-NH2 3.26Å; N918-R922 WeakPolarHBondContact O-CB 3.25Å; N918-R922 PolarHBondContact O-N 3.13Å; A919-R922 WeakPolarHBondContact O-CB 3.17Å; A919-R922 PolarHBondContact O-N 3.33Å; F920-R922 VanDerWaalsContact C-N 3.35Å; F920-R922 PolarHBondContact O-N 3.44Å; R922-F924 VanDerWaalsContact C-N 3.31Å; R922-F924 PolarHBondContact O-N 3.49Å; R922-Q925 PolarHBondContact O-N 3.24Å; R922-M926 HydrophobicContact CG-SD 4.22Å; R922-M926 VanDerWaalsContact O-CG 3.32Å; R922-M926 WeakPolarHBondContact O-CG 3.44Å; R922-M926 PolarHBondContact O-N 2.64Å
923	G	93	Very high	91.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.9	-38.2	179.8	0	0	0	0	0	113.5	C799 G802 T803 A919 F920	C799-G923 WeakPolarHBondContact O-CA 3.29Å; C799-G923 VanDerWaalsContact SG-CA 3.53Å; G802-G923 VanDerWaalsContact C-C 3.43Å; T803-G923 WeakPolarHBondContact CA-O 3.43Å; T803-G923 VanDerWaalsContact N-C 3.3Å; T803-G923 PolarHBondContact N-O 2.76Å; T803-G923 VanDerWaalsContact OG1-C 3.28Å; T803-G923 WeakPolarHBondContact OG1-CA 3.33Å; T803-G923 PolarHBondContact OG1-O 3.3Å; A919-G923 PolarHBondContact O-N 2.7Å; A919-G923 VanDerWaalsContact O-N 3.13Å; F920-G923 PolarHBondContact O-N 2.92Å
924	F	94.3	Very high	91.3	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.018	10%	0.102	C	C	.	.	H	α-helix	trans	-65.2	-50.4	174.8	-179	-105	0	0	0	111.9	G802 L805 I809 L827 F920 R921 R922 M926 V927 V928 L933	G802-F924 VanDerWaalsContact C-N 3.29Å; G802-F924 VanDerWaalsContact O-CA 3.22Å; G802-F924 WeakPolarHBondContact O-CA 3.36Å; G802-F924 PolarHBondContact O-N 3.19Å; L805-F924 HydrophobicContact CB-CD2 4.19Å; L805-F924 HydrophobicContact CD2-CD2 3.89Å; L805-F924 HydrophobicContact CD2-CE2 3.98Å; L805-F924 HydrophobicContact CG-CD2 3.93Å; L805-F924 HydrophobicContact CG-CE2 3.93Å; I809-F924 HydrophobicContact CD1-CE2 3.91Å; I809-F924 HydrophobicContact CD1-CZ 4.28Å; L827-F924 HydrophobicContact CB-CE1 4.27Å; L827-F924 HydrophobicContact CD1-CE1 4.19Å; L827-F924 HydrophobicContact CD1-CE2 4.23Å; L827-F924 HydrophobicContact CD1-CZ 4.04Å; L827-F924 HydrophobicContact CD2-CB 4.3Å; L827-F924 HydrophobicContact CD2-CD1 3.59Å; L827-F924 HydrophobicContact CD2-CE1 3.93Å; L827-F924 HydrophobicContact CD2-CG 3.92Å; L827-F924 HydrophobicContact CG-CD1 4.49Å; L827-F924 HydrophobicContact CG-CE1 4.36Å; F920-F924 WeakPolarHBondContact O-CB 3.4Å; F920-F924 PolarHBondContact O-N 3.48Å; R921-F924 PolarHBondContact O-N 3.23Å; R922-F924 VanDerWaalsContact C-N 3.31Å; R922-F924 PolarHBondContact O-N 3.49Å; F924-M926 VanDerWaalsContact C-N 3.27Å; F924-M926 PolarHBondContact O-N 2.68Å; F924-V927 PolarHBondContact O-N 3.5Å; F924-V928 HydrophobicContact CD1-CG2 3.68Å; F924-V928 HydrophobicContact CE1-CG2 3.5Å; F924-V928 VanDerWaalsContact CE1-CG2 3.5Å; F924-V928 HydrophobicContact CE2-CG1 4.18Å; F924-V928 HydrophobicContact CG-CG2 4.33Å; F924-V928 HydrophobicContact CZ-CG1 4.19Å; F924-V928 HydrophobicContact CZ-CG2 3.98Å; F924-V928 PolarHBondContact O-N 3.49Å; F924-V928 VanDerWaalsContact O-N 3.13Å; F924-L933 HydrophobicContact CE1-CD2 4.46Å; F924-L933 HydrophobicContact CZ-CD2 3.8Å
925	Q	90.8	Very high	91	Very high	35 Å²	35	19.8 Å²	19.8	16%	0.164	10%	0.095	C	C	.	.	H	α-helix	trans	-61.9	-33.4	-178.1	-165	68.1	18.3	0	0	112.2	M591 R921 R922 V927 V928 D929	M591-Q925 HydrophobicContact CE-CB 3.72Å; M591-Q925 HydrophobicContact CE-CG 3.69Å; R921-Q925 VanDerWaalsContact O-CB 3.27Å; R921-Q925 WeakPolarHBondContact O-CB 3.49Å; R921-Q925 PolarHBondContact O-N 2.74Å; R922-Q925 PolarHBondContact O-N 3.24Å; Q925-V927 PolarHBondContact O-N 3.19Å; Q925-V927 VanDerWaalsContact O-N 3.11Å; Q925-V928 PolarHBondContact O-N 2.87Å; Q925-D929 HydrophobicContact CG-CB 4.33Å; Q925-D929 VanDerWaalsContact O-CB 3.26Å; Q925-D929 WeakPolarHBondContact O-CB 3.32Å; Q925-D929 PolarHBondContact O-N 3.37Å
926	M	87.8	Confident	90.9	Very high	18 Å²	18	15.4 Å²	15.4	9%	0.089	8%	0.076	C	C	.	.	H	α-helix	trans	-55.8	-24.3	173.3	-74.8	159.9	44.2	0	0	114	I595 F729 F736 R922 F924	I595-M926 HydrophobicContact CD1-CG 4.49Å; F729-M926 HydrophobicContact CB-CE 4.15Å; F729-M926 HydrophobicContact CD2-CE 3.52Å; F729-M926 HydrophobicContact CD2-SD 4.1Å; F729-M926 HydrophobicContact CE2-CE 4.07Å; F729-M926 HydrophobicContact CE2-CG 4.33Å; F729-M926 HydrophobicContact CE2-SD 4.02Å; F729-M926 HydrophobicContact CG-CE 3.88Å; F736-M926 HydrophobicContact CE2-CE 3.78Å; F736-M926 HydrophobicContact CZ-CE 4.2Å; R922-M926 HydrophobicContact CG-SD 4.22Å; R922-M926 VanDerWaalsContact O-CG 3.32Å; R922-M926 WeakPolarHBondContact O-CG 3.44Å; R922-M926 PolarHBondContact O-N 2.64Å; F924-M926 VanDerWaalsContact C-N 3.27Å; F924-M926 PolarHBondContact O-N 2.68Å
927	V	90.4	Very high	90.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-103	-32.8	178.5	-166.1	0	0	0	0	112.1	F736 K737 T803 L807 Y810 F924 Q925	F736-V927 HydrophobicContact CB-CG2 4.32Å; K737-V927 PolarHBondContact NZ-O 3.28Å; T803-V927 HydrophobicContact CG2-CG2 3.83Å; L807-V927 HydrophobicContact CD2-CG1 4.11Å; L807-V927 HydrophobicContact CG-CG1 4.29Å; L807-V927 HydrophobicContact CG-CG2 4.22Å; Y810-V927 HydrophobicContact CG-CG1 4.45Å; F924-V927 PolarHBondContact O-N 3.5Å; Q925-V927 PolarHBondContact O-N 3.19Å; Q925-V927 VanDerWaalsContact O-N 3.11Å
928	V	89.5	Confident	90.7	Very high	10 Å²	10	16.4 Å²	16.4	6%	0.061	8%	0.079	C	C	.	.	H	α-helix	trans	-105.7	-1.3	-172.5	-49.8	0	0	0	0	116.2	F924 Q925 E930 S931 L933	F924-V928 HydrophobicContact CD1-CG2 3.68Å; F924-V928 HydrophobicContact CE1-CG2 3.5Å; F924-V928 VanDerWaalsContact CE1-CG2 3.5Å; F924-V928 HydrophobicContact CE2-CG1 4.18Å; F924-V928 HydrophobicContact CG-CG2 4.33Å; F924-V928 HydrophobicContact CZ-CG1 4.19Å; F924-V928 HydrophobicContact CZ-CG2 3.98Å; F924-V928 PolarHBondContact O-N 3.49Å; F924-V928 VanDerWaalsContact O-N 3.13Å; Q925-V928 PolarHBondContact O-N 2.87Å; V928-E930 PolarHBondContact O-N 3.49Å; V928-S931 WeakPolarHBondContact O-CB 3.43Å; V928-S931 PolarHBondContact O-N 3.1Å; V928-L933 HydrophobicContact CB-CD2 4.11Å; V928-L933 HydrophobicContact CG1-CD2 3.97Å; V928-L933 HydrophobicContact CG2-CD2 4.34Å
929	D	83.7	Confident	90.6	Very high	18 Å²	18	16.8 Å²	16.8	10%	0.096	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-43	-176.4	59.3	-7.5	0	0	0	116.3	L607 K737 Q925 S931	L607-D929 WeakPolarHBondContact CD2-O 3.32Å; K737-D929 IonicContact NZ-OD1 2.78Å; K737-D929 PolarHBondContact NZ-OD1 3.44Å; Q925-D929 HydrophobicContact CG-CB 4.33Å; Q925-D929 VanDerWaalsContact O-CB 3.26Å; Q925-D929 WeakPolarHBondContact O-CB 3.32Å; Q925-D929 PolarHBondContact O-N 3.37Å; D929-S931 VanDerWaalsContact C-N 3.34Å
930	E	80.1	Confident	90.5	Very high	36 Å²	36	20.6 Å²	20.6	17%	0.168	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-0.2	176.9	-65.5	-176.1	-166.3	0	0	114.1	V605 R685 V928	V605-E930 HydrophobicContact CB-CG 4.35Å; V605-E930 HydrophobicContact CG2-CG 4.42Å; R685-E930 IonicContact NE-OE2 3.11Å; R685-E930 PolarHBondContact NH2-O 2.93Å; V928-E930 PolarHBondContact O-N 3.49Å
931	S	86.7	Confident	90.4	Very high	7 Å²	7	20.8 Å²	20.8	5%	0.049	10%	0.103	C	C	.	.	S	Bend	trans	-85.7	142.5	-170	-168.7	0	0	0	0	112.9	L607 L678 V928 D929 L933	L607-S931 WeakPolarHBondContact CD2-O 3.44Å; L678-S931 WeakPolarHBondContact CD1-OG 3.45Å; V928-S931 WeakPolarHBondContact O-CB 3.43Å; V928-S931 PolarHBondContact O-N 3.1Å; D929-S931 VanDerWaalsContact C-N 3.34Å; S931-L933 PolarHBondContact O-N 3.47Å
932	P	89.2	Confident	90.4	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	10.5	172.3	34	-39.3	0	0	0	113.3	P608 M663 L678 D681 T934 F935 L936	P608-P932 HydrophobicContact CG-CB 4.31Å; M663-P932 HydrophobicContact CE-CB 4.43Å; M663-P932 HydrophobicContact CE-CG 4.08Å; L678-P932 HydrophobicContact CD1-CG 4.06Å; D681-P932 WeakPolarHBondContact OD2-CD 3.16Å; D681-P932 VanDerWaalsContact OD2-CG 3.28Å; D681-P932 WeakPolarHBondContact OD2-CG 3.4Å; P932-T934 PolarHBondContact O-N 2.95Å; P932-F935 WeakPolarHBondContact O-CB 3.44Å; P932-F935 PolarHBondContact O-N 3.23Å; P932-L936 HydrophobicContact CB-CD1 3.98Å; P932-L936 HydrophobicContact CB-CG 4.19Å; P932-L936 HydrophobicContact CG-CD1 3.92Å; P932-L936 WeakPolarHBondContact O-CG 3.44Å; P932-L936 PolarHBondContact O-N 2.99Å
933	L	90.1	Very high	90.4	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.021	10%	0.102	C	C	.	.	H	α-helix	trans	-50.1	-51.3	-176.4	-173.1	64.8	0	0	0	112.8	L678 I809 F924 V928 S931 F935 L936 F937 L942 L945	L678-L933 HydrophobicContact CD2-CD1 3.83Å; I809-L933 HydrophobicContact CD1-CD2 4.11Å; I809-L933 HydrophobicContact CG2-CD1 4.04Å; I809-L933 HydrophobicContact CG2-CD2 4.39Å; F924-L933 HydrophobicContact CE1-CD2 4.46Å; F924-L933 HydrophobicContact CZ-CD2 3.8Å; V928-L933 HydrophobicContact CB-CD2 4.11Å; V928-L933 HydrophobicContact CG1-CD2 3.97Å; V928-L933 HydrophobicContact CG2-CD2 4.34Å; S931-L933 PolarHBondContact O-N 3.47Å; L933-F935 VanDerWaalsContact C-N 3.27Å; L933-F935 PolarHBondContact O-N 2.62Å; L933-L936 PolarHBondContact O-N 2.88Å; L933-F937 HydrophobicContact CD1-CD2 3.84Å; L933-F937 HydrophobicContact CD1-CE2 4.18Å; L933-F937 HydrophobicContact CD1-CG 4.44Å; L933-F937 WeakPolarHBondContact O-CD2 3.47Å; L933-F937 PolarHBondContact O-N 3.11Å; L933-L942 HydrophobicContact CD1-CD1 3.86Å; L933-L942 HydrophobicContact CD2-CD1 4.05Å; L933-L942 HydrophobicContact CG-CD1 4.09Å; L933-L945 HydrophobicContact CD1-CD2 3.51Å
934	T	85.2	Confident	90.4	Very high	60 Å²	60	22.6 Å²	22.6	37%	0.368	12%	0.116	S	C	.	.	H	α-helix	trans	-72.1	-17.8	-179.5	52	0	0	0	0	114.1	V828 P932	V828-T934 HydrophobicContact CG1-CG2 4.36Å; P932-T934 PolarHBondContact O-N 2.95Å
935	F	88.4	Confident	90.4	Very high	41 Å²	41	22.9 Å²	22.9	18%	0.18	12%	0.118	C	C	.	.	H	α-helix	trans	-87.3	-36	175.5	172	-105.4	0	0	0	112.2	P608 D610 M663 P932 L933	P608-F935 HydrophobicContact CB-CD1 4.14Å; P608-F935 HydrophobicContact CB-CG 4.16Å; P608-F935 WeakPolarHBondContact O-CB 3.32Å; P608-F935 WeakPolarHBondContact O-CD2 3.19Å; P608-F935 VanDerWaalsContact O-CG 3.31Å; P608-F935 WeakPolarHBondContact O-CG 3.36Å; D610-F935 HydrophobicContact CB-CE2 4.18Å; M663-F935 WeakPolarHBondContact O-CE1 3.18Å; P932-F935 WeakPolarHBondContact O-CB 3.44Å; P932-F935 PolarHBondContact O-N 3.23Å; L933-F935 VanDerWaalsContact C-N 3.27Å; L933-F935 PolarHBondContact O-N 2.62Å
936	L	91.9	Very high	90.5	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-86.4	-39.7	-176.1	-67.2	173.5	0	0	0	113.4	M663 P666 K674 P932 L933	M663-L936 HydrophobicContact CE-CD1 3.93Å; M663-L936 HydrophobicContact CG-CD2 3.75Å; M663-L936 WeakPolarHBondContact O-CD2 3.27Å; P666-L936 HydrophobicContact CB-CD2 4.27Å; K674-L936 WeakPolarHBondContact CD-O 3.46Å; K674-L936 WeakPolarHBondContact CE-O 3.4Å; K674-L936 PolarHBondContact NZ-O 3.19Å; P932-L936 HydrophobicContact CB-CD1 3.98Å; P932-L936 HydrophobicContact CB-CG 4.19Å; P932-L936 HydrophobicContact CG-CD1 3.92Å; P932-L936 WeakPolarHBondContact O-CG 3.44Å; P932-L936 PolarHBondContact O-N 2.99Å; L933-L936 PolarHBondContact O-N 2.88Å
937	F	94.1	Very high	90.7	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.018	12%	0.117	C	C	.	.			trans	-112.3	128.7	-168.3	-58.7	-102.1	0	0	0	111.7	T671 K674 L678 L933 E941 L942 L945	T671-F937 HydrophobicContact CG2-CD1 4.3Å; T671-F937 HydrophobicContact CG2-CE1 4.21Å; K674-F937 HydrophobicContact CB-CD1 4.42Å; K674-F937 HydrophobicContact CB-CE1 3.68Å; K674-F937 HydrophobicContact CB-CE2 4.18Å; K674-F937 HydrophobicContact CB-CZ 3.55Å; K674-F937 HydrophobicContact CD-CD1 4.48Å; L678-F937 HydrophobicContact CB-CE2 4.12Å; L678-F937 HydrophobicContact CB-CZ 4.24Å; L678-F937 HydrophobicContact CD2-CE2 3.8Å; L678-F937 HydrophobicContact CD2-CZ 4.04Å; L678-F937 HydrophobicContact CG-CE2 4.45Å; L933-F937 HydrophobicContact CD1-CD2 3.84Å; L933-F937 HydrophobicContact CD1-CE2 4.18Å; L933-F937 HydrophobicContact CD1-CG 4.44Å; L933-F937 WeakPolarHBondContact O-CD2 3.47Å; L933-F937 PolarHBondContact O-N 3.11Å; F937-E941 WeakPolarHBondContact CA-OE2 3.49Å; F937-E941 HydrophobicContact CB-CB 3.99Å; F937-E941 HydrophobicContact CD1-CB 3.89Å; F937-E941 HydrophobicContact CG-CB 4.41Å; F937-L942 HydrophobicContact CB-CB 4.47Å; F937-L945 HydrophobicContact CD1-CB 4.47Å; F937-L945 HydrophobicContact CD1-CD2 4.19Å; F937-L945 HydrophobicContact CD2-CD2 4.48Å; F937-L945 HydrophobicContact CE1-CB 4.35Å; F937-L945 HydrophobicContact CE1-CD1 4.1Å; F937-L945 HydrophobicContact CE1-CD2 3.92Å; F937-L945 HydrophobicContact CE1-CG 4.37Å; F937-L945 HydrophobicContact CE2-CD2 4.24Å; F937-L945 HydrophobicContact CG-CD2 4.48Å; F937-L945 HydrophobicContact CZ-CD1 4.24Å; F937-L945 HydrophobicContact CZ-CD2 3.95Å
938	R	93.6	Very high	90.7	Very high	39 Å²	39	23.5 Å²	23.5	15%	0.147	12%	0.118	C	C	.	.			trans	-69.8	166.1	160.7	-67	-171.8	-49.8	-70.6	-4.8	111.1	V630 D940 E941 L942	V630-R938 VanDerWaalsContact CG1-NH1 3.34Å; R938-D940 VanDerWaalsContact C-N 3.3Å; R938-D940 WeakPolarHBondContact CB-OD1 3.12Å; R938-D940 IonicContact CZ-OD1 3.27Å; R938-D940 IonicContact CZ-OD2 3.33Å; R938-D940 IonicContact NE-OD1 3.41Å; R938-D940 PolarHBondContact NE-OD1 2.85Å; R938-D940 IonicContact NE-OD2 3.85Å; R938-D940 IonicContact NH2-OD1 2.68Å; R938-D940 IonicContact NH2-OD2 3.68Å; R938-D940 PolarHBondContact NH2-OD2 3.14Å; R938-D940 PolarHBondContact O-N 3.36Å; R938-E941 HydrophobicContact CB-CG 4.29Å; R938-E941 IonicContact CZ-OE1 3.37Å; R938-E941 VanDerWaalsContact CZ-OE1 3.27Å; R938-E941 IonicContact CZ-OE2 2.74Å; R938-E941 PolarHBondContact N-OE2 2.87Å; R938-E941 IonicContact NH1-OE1 4Å; R938-E941 PolarHBondContact NH1-OE1 3.3Å; R938-E941 IonicContact NH1-OE2 2.87Å; R938-E941 PolarHBondContact NH1-OE2 3.16Å; R938-E941 VanDerWaalsContact NH2-CD 3.28Å; R938-E941 VanDerWaalsContact NH2-CG 3.3Å; R938-E941 IonicContact NH2-OE1 2.64Å; R938-E941 PolarHBondContact NH2-OE1 3.05Å; R938-E941 VanDerWaalsContact NH2-OE1 3.12Å; R938-E941 CarbonylContact O-C 3.59Å; R938-E941 WeakPolarHBondContact O-CA 3.19Å; R938-E941 WeakPolarHBondContact O-CB 3.16Å; R938-E941 PolarHBondContact O-N 2.81Å; R938-L942 PolarHBondContact O-N 3.49Å
939	P	93.9	Very high	90.8	Very high	20 Å²	20	23.8 Å²	23.8	13%	0.13	12%	0.121	C	C	.	.	H	α-helix	trans	-49.6	-42.6	172.9	-32.4	38.8	0	0	0	115.4	N621 Y824 R825 V828 E941 L942 E943	N621-P939 WeakPolarHBondContact OD1-CD 3.36Å; Y824-P939 WeakPolarHBondContact CB-O 3.45Å; R825-P939 HydrophobicContact CB-CB 4.04Å; R825-P939 HydrophobicContact CB-CG 3.95Å; R825-P939 HydrophobicContact CG-CG 4.23Å; V828-P939 HydrophobicContact CG2-CG 3.81Å; P939-E941 VanDerWaalsContact C-N 3.31Å; P939-E941 PolarHBondContact O-N 3.14Å; P939-L942 PolarHBondContact O-N 2.97Å; P939-E943 PolarHBondContact O-N 2.9Å
940	D	92.8	Very high	91	Very high	79 Å²	79	26.7 Å²	26.7	42%	0.422	14%	0.14	S	C	.	.	H	α-helix	trans	-69.5	-28.5	178.3	61.7	-63.5	0	0	0	112.9	R938 L944	R938-D940 VanDerWaalsContact C-N 3.3Å; R938-D940 WeakPolarHBondContact CB-OD1 3.12Å; R938-D940 IonicContact CZ-OD1 3.27Å; R938-D940 IonicContact CZ-OD2 3.33Å; R938-D940 IonicContact NE-OD1 3.41Å; R938-D940 PolarHBondContact NE-OD1 2.85Å; R938-D940 IonicContact NE-OD2 3.85Å; R938-D940 IonicContact NH2-OD1 2.68Å; R938-D940 IonicContact NH2-OD2 3.68Å; R938-D940 PolarHBondContact NH2-OD2 3.14Å; R938-D940 PolarHBondContact O-N 3.36Å; D940-L944 WeakPolarHBondContact O-CG 3.28Å; D940-L944 PolarHBondContact O-N 3.14Å
941	E	94.7	Very high	91.4	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.019	16%	0.159	C	C	.	.	H	α-helix	trans	-81.4	-30.5	175.7	-63.7	177.5	145.9	0	0	111.8	T671 K674 F937 R938 P939 L945	T671-E941 HydrophobicContact CG2-CB 3.95Å; T671-E941 HydrophobicContact CG2-CG 4.28Å; K674-E941 IonicContact NZ-OE1 2.74Å; K674-E941 PolarHBondContact NZ-OE1 3.23Å; K674-E941 IonicContact NZ-OE2 2.71Å; K674-E941 PolarHBondContact NZ-OE2 3.02Å; F937-E941 WeakPolarHBondContact CA-OE2 3.49Å; F937-E941 HydrophobicContact CB-CB 3.99Å; F937-E941 HydrophobicContact CD1-CB 3.89Å; F937-E941 HydrophobicContact CG-CB 4.41Å; R938-E941 HydrophobicContact CB-CG 4.29Å; R938-E941 IonicContact CZ-OE1 3.37Å; R938-E941 VanDerWaalsContact CZ-OE1 3.27Å; R938-E941 IonicContact CZ-OE2 2.74Å; R938-E941 PolarHBondContact N-OE2 2.87Å; R938-E941 IonicContact NH1-OE1 4Å; R938-E941 PolarHBondContact NH1-OE1 3.3Å; R938-E941 IonicContact NH1-OE2 2.87Å; R938-E941 PolarHBondContact NH1-OE2 3.16Å; R938-E941 VanDerWaalsContact NH2-CD 3.28Å; R938-E941 VanDerWaalsContact NH2-CG 3.3Å; R938-E941 IonicContact NH2-OE1 2.64Å; R938-E941 PolarHBondContact NH2-OE1 3.05Å; R938-E941 VanDerWaalsContact NH2-OE1 3.12Å; R938-E941 CarbonylContact O-C 3.59Å; R938-E941 WeakPolarHBondContact O-CA 3.19Å; R938-E941 WeakPolarHBondContact O-CB 3.16Å; R938-E941 PolarHBondContact O-N 2.81Å; P939-E941 VanDerWaalsContact C-N 3.31Å; P939-E941 PolarHBondContact O-N 3.14Å; E941-L945 WeakPolarHBondContact O-CB 3.32Å; E941-L945 PolarHBondContact O-N 2.92Å
942	L	94.6	Very high	91.6	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.016	17%	0.169	C	C	.	.	H	α-helix	trans	-71.4	-38	173.9	-178.2	60.5	0	0	0	111.5	I809 Y824 L827 V828 L933 F937 R938 P939 L945 V946	I809-L942 HydrophobicContact CD1-CD1 3.87Å; Y824-L942 HydrophobicContact CD1-CD2 4.41Å; Y824-L942 HydrophobicContact CD1-CG 4.09Å; L827-L942 HydrophobicContact CB-CD2 4.36Å; V828-L942 HydrophobicContact CG1-CD2 4.12Å; L933-L942 HydrophobicContact CD1-CD1 3.86Å; L933-L942 HydrophobicContact CD2-CD1 4.05Å; L933-L942 HydrophobicContact CG-CD1 4.09Å; F937-L942 HydrophobicContact CB-CB 4.47Å; R938-L942 PolarHBondContact O-N 3.49Å; P939-L942 PolarHBondContact O-N 2.97Å; L942-L945 HydrophobicContact CD1-CD2 4.31Å; L942-L945 PolarHBondContact O-N 3.42Å; L942-V946 WeakPolarHBondContact O-CG2 3.27Å; L942-V946 PolarHBondContact O-N 3.42Å
943	E	94.4	Very high	91.9	Very high	33 Å²	33	35 Å²	35	15%	0.154	18%	0.184	C	C	.	.	H	α-helix	trans	-57.5	-50	170.2	-177.6	175.4	149.7	0	0	111.3	S821 Y824 P939 L945 V946 R947	S821-E943 WeakPolarHBondContact CB-OE2 3.42Å; S821-E943 PolarHBondContact OG-OE2 2.86Å; Y824-E943 HydrophobicContact CD2-CB 3.54Å; Y824-E943 HydrophobicContact CD2-CG 3.97Å; Y824-E943 HydrophobicContact CE2-CB 3.53Å; Y824-E943 HydrophobicContact CE2-CG 3.42Å; Y824-E943 VanDerWaalsContact CE2-CG 3.42Å; Y824-E943 HydrophobicContact CG-CB 4.09Å; P939-E943 PolarHBondContact O-N 2.9Å; E943-L945 VanDerWaalsContact C-N 3.29Å; E943-L945 PolarHBondContact O-N 3.28Å; E943-V946 PolarHBondContact O-N 3.44Å; E943-R947 WeakPolarHBondContact O-CB 3.25Å; E943-R947 PolarHBondContact O-N 3.1Å; E943-R947 IonicContact OE1-NE 3.76Å; E943-R947 IonicContact OE1-NH2 2.75Å
944	L	93.1	Very high	92.1	Very high	56 Å²	56	35.1 Å²	35.1	29%	0.293	19%	0.185	S	C	.	.	H	α-helix	trans	-62.5	-35.3	178.7	-71.9	170.3	0	0	0	112.5	T671 D940 G948 V1003	T671-L944 HydrophobicContact CG2-CB 4.4Å; D940-L944 WeakPolarHBondContact O-CG 3.28Å; D940-L944 PolarHBondContact O-N 3.14Å; L944-G948 CarbonylContact O-C 3.54Å; L944-G948 WeakPolarHBondContact O-CA 3.33Å; L944-G948 PolarHBondContact O-N 3.49Å; L944-V1003 WeakPolarHBondContact O-CG2 3.41Å
945	L	93.6	Very high	92.6	Very high	11 Å²	11	37 Å²	37	6%	0.058	19%	0.193	C	C	.	.	H	α-helix	trans	-66.7	-39.1	175.8	-175	68.6	0	0	0	112.1	L678 I809 L933 F937 E941 L942 E943 V1003	L678-L945 HydrophobicContact CD2-CD2 3.74Å; I809-L945 HydrophobicContact CG1-CD2 4.46Å; I809-L945 HydrophobicContact CG2-CD2 3.84Å; L933-L945 HydrophobicContact CD1-CD2 3.51Å; F937-L945 HydrophobicContact CD1-CB 4.47Å; F937-L945 HydrophobicContact CD1-CD2 4.19Å; F937-L945 HydrophobicContact CD2-CD2 4.48Å; F937-L945 HydrophobicContact CE1-CB 4.35Å; F937-L945 HydrophobicContact CE1-CD1 4.1Å; F937-L945 HydrophobicContact CE1-CD2 3.92Å; F937-L945 HydrophobicContact CE1-CG 4.37Å; F937-L945 HydrophobicContact CE2-CD2 4.24Å; F937-L945 HydrophobicContact CG-CD2 4.48Å; F937-L945 HydrophobicContact CZ-CD1 4.24Å; F937-L945 HydrophobicContact CZ-CD2 3.95Å; E941-L945 WeakPolarHBondContact O-CB 3.32Å; E941-L945 PolarHBondContact O-N 2.92Å; L942-L945 HydrophobicContact CD1-CD2 4.31Å; L942-L945 PolarHBondContact O-N 3.42Å; E943-L945 VanDerWaalsContact C-N 3.29Å; E943-L945 PolarHBondContact O-N 3.28Å; L945-V1003 HydrophobicContact CD1-CG2 4.46Å
946	V	93.3	Very high	92.9	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.012	20%	0.197	C	C	.	.	H	α-helix	trans	-75.2	-46.8	179.8	166.2	0	0	0	0	112.4	L805 I809 L815 V817 Y824 L942 E943	L805-V946 HydrophobicContact CD1-CB 4.21Å; L805-V946 HydrophobicContact CD1-CG1 3.48Å; L805-V946 VanDerWaalsContact CD1-CG1 3.48Å; L805-V946 HydrophobicContact CD1-CG2 3.63Å; I809-V946 HydrophobicContact CD1-CG2 3.75Å; I809-V946 HydrophobicContact CG1-CG2 4.05Å; L815-V946 PolarHBondContact N-O 3.14Å; V817-V946 HydrophobicContact CG2-CG1 3.54Å; Y824-V946 HydrophobicContact CE1-CB 4.14Å; Y824-V946 HydrophobicContact CE1-CG1 4.23Å; Y824-V946 HydrophobicContact CE1-CG2 4.12Å; L942-V946 WeakPolarHBondContact O-CG2 3.27Å; L942-V946 PolarHBondContact O-N 3.42Å; E943-V946 PolarHBondContact O-N 3.44Å
947	R	90.9	Very high	93.1	Very high	61 Å²	61	37.9 Å²	37.9	23%	0.23	20%	0.197	C	C	.	.	H	α-helix	trans	-105.1	-10.7	-166.4	-157.5	171.7	73.6	108.7	-5.5	114	I814 V817 N818 E943 R1000	I814-R947 WeakPolarHBondContact CG2-O 3.43Å; V817-R947 WeakPolarHBondContact O-CD 3.29Å; N818-R947 PolarHBondContact OD1-NH1 3.17Å; E943-R947 WeakPolarHBondContact O-CB 3.25Å; E943-R947 PolarHBondContact O-N 3.1Å; E943-R947 IonicContact OE1-NE 3.76Å; E943-R947 IonicContact OE1-NH2 2.75Å; R947-R1000 WeakPolarHBondContact O-CD 3.45Å
948	G	91.7	Very high	93.2	Very high	2 Å²	2	41 Å²	41	2%	0.021	21%	0.212	C	C	.	.			trans	81.2	-172.2	-176.3	0	0	0	0	0	113.3	L944 V1001	L944-G948 CarbonylContact O-C 3.54Å; L944-G948 WeakPolarHBondContact O-CA 3.33Å; L944-G948 PolarHBondContact O-N 3.49Å; G948-V1001 CarbonylContact C-O 3.57Å; G948-V1001 VanDerWaalsContact CA-O 3.22Å; G948-V1001 WeakPolarHBondContact CA-O 3.49Å
949	S	90.6	Very high	93.3	Very high	17 Å²	17	46.3 Å²	46.3	12%	0.119	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-73.8	129.8	173	171.4	0	0	0	0	110.8	V951 V1001 P1002	S949-V951 PolarHBondContact O-N 3.46Å; S949-V951 PolarHBondContact OG-N 2.92Å; S949-V951 VanDerWaalsContact OG-N 3.1Å; S949-V951 PolarHBondContact OG-O 3.5Å; S949-V1001 PolarHBondContact N-O 2.88Å; S949-P1002 WeakPolarHBondContact CB-O 3.42Å
950	P	87.2	Confident	93.3	Very high	78 Å²	78	47.1 Å²	47.1	51%	0.506	24%	0.236	S	C	.	.			trans	-77.2	-4	170.3	32.6	-35.5	0	0	0	113.1	Y952	P950-Y952 WeakPolarHBondContact O-CD2 3.16Å
951	V	89.6	Confident	93.5	Very high	93 Å²	93	43.9 Å²	43.9	56%	0.564	22%	0.22	S	C	*	.			trans	-95.8	121	-174.8	-174.7	0	0	0	0	111.3	S949	S949-V951 PolarHBondContact O-N 3.46Å; S949-V951 PolarHBondContact OG-N 2.92Å; S949-V951 VanDerWaalsContact OG-N 3.1Å; S949-V951 PolarHBondContact OG-O 3.5Å
952	Y	91.4	Very high	93.6	Very high	64 Å²	64	47.3 Å²	47.3	25%	0.251	24%	0.241	S	C	.	.			trans	-104.9	74.3	-176.5	-71.5	-95	0	0	0	112.4	P950 F954 K989 L992 D999 V1001 M1006	P950-Y952 WeakPolarHBondContact O-CD2 3.16Å; Y952-F954 HydrophobicContact CD1-CE2 4.35Å; Y952-F954 PolarHBondContact O-N 2.87Å; Y952-K989 HydrophobicContact CE1-CG 3.85Å; Y952-K989 WeakPolarHBondContact OH-CE 3.49Å; Y952-K989 PolarHBondContact OH-NZ 3.47Å; Y952-L992 HydrophobicContact CD1-CD1 3.74Å; Y952-L992 HydrophobicContact CE1-CD1 3.63Å; Y952-D999 WeakPolarHBondContact CE1-O 3.5Å; Y952-D999 PolarHBondContact OH-O 3.14Å; Y952-V1001 HydrophobicContact CD1-CG2 3.82Å; Y952-V1001 HydrophobicContact CE1-CG2 3.74Å; Y952-V1001 HydrophobicContact CG-CG2 4.34Å; Y952-M1006 HydrophobicContact CD1-CE 3.64Å; Y952-M1006 HydrophobicContact CE1-CE 4.48Å; Y952-M1006 HydrophobicContact CG-CE 4.28Å
953	D	94.2	Very high	93.7	Very high	62 Å²	62	49.6 Å²	49.6	33%	0.332	25%	0.25	S	C	.	.			trans	-92.9	93.5	177.9	-165.9	-13.2	0	0	0	113.2	N955 E956 L957	D953-N955 PolarHBondContact O-N 3.3Å; D953-N955 VanDerWaalsContact OD1-CB 3.27Å; D953-N955 WeakPolarHBondContact OD1-CB 3.34Å; D953-N955 PolarHBondContact OD1-N 3.03Å; D953-N955 PolarHBondContact OD1-ND2 2.92Å; D953-E956 HydrophobicContact CB-CB 4.35Å; D953-E956 PolarHBondContact O-N 3.17Å; D953-E956 PolarHBondContact OD1-N 2.8Å; D953-L957 PolarHBondContact O-N 3.35Å
954	F	95.5	Very high	93.8	Very high	6 Å²	6	52.8 Å²	52.8	3%	0.026	26%	0.264	C	S	.	.	H	α-helix	trans	-69.4	-14.3	177.8	-79.6	-97.3	0	0	0	114.3	Y952 L957 E958 W977 V980 K988 L991 L992 M1006	Y952-F954 HydrophobicContact CD1-CE2 4.35Å; Y952-F954 PolarHBondContact O-N 2.87Å; F954-L957 HydrophobicContact CD1-CD2 3.78Å; F954-L957 HydrophobicContact CE1-CD2 3.82Å; F954-E958 WeakPolarHBondContact O-CB 3.47Å; F954-E958 PolarHBondContact O-N 3.02Å; F954-W977 HydrophobicContact CD1-CZ3 4.47Å; F954-V980 HydrophobicContact CD1-CG1 3.48Å; F954-V980 VanDerWaalsContact CD1-CG1 3.48Å; F954-V980 HydrophobicContact CE1-CG1 3.96Å; F954-V980 HydrophobicContact CG-CG1 4.26Å; F954-K988 HydrophobicContact CD2-CB 4.34Å; F954-K988 HydrophobicContact CD2-CD 3.83Å; F954-K988 HydrophobicContact CD2-CG 4Å; F954-K988 HydrophobicContact CE1-CB 4.38Å; F954-K988 HydrophobicContact CE1-CG 4.19Å; F954-K988 HydrophobicContact CE2-CB 3.46Å; F954-K988 VanDerWaalsContact CE2-CB 3.46Å; F954-K988 HydrophobicContact CE2-CD 3.82Å; F954-K988 HydrophobicContact CE2-CG 3.58Å; F954-K988 HydrophobicContact CG-CD 4.45Å; F954-K988 HydrophobicContact CG-CG 4.46Å; F954-K988 HydrophobicContact CZ-CB 3.49Å; F954-K988 VanDerWaalsContact CZ-CB 3.49Å; F954-K988 HydrophobicContact CZ-CD 4.42Å; F954-K988 HydrophobicContact CZ-CG 3.69Å; F954-L991 HydrophobicContact CE1-CD2 4.37Å; F954-L992 HydrophobicContact CE1-CD2 4.42Å; F954-L992 HydrophobicContact CE1-CG 4.45Å; F954-L992 HydrophobicContact CE2-CD1 4.43Å; F954-L992 HydrophobicContact CZ-CD1 3.83Å; F954-L992 HydrophobicContact CZ-CD2 4.27Å; F954-L992 HydrophobicContact CZ-CG 3.94Å; F954-M1006 HydrophobicContact CD2-CE 4.08Å; F954-M1006 HydrophobicContact CD2-SD 4.07Å; F954-M1006 HydrophobicContact CE2-CE 3.6Å; F954-M1006 HydrophobicContact CE2-SD 4.18Å; F954-M1006 HydrophobicContact CG-SD 4.32Å; F954-M1006 HydrophobicContact CZ-CE 3.86Å
955	N	95.7	Very high	93.8	Very high	101 Å²	101	57.4 Å²	57.4	54%	0.54	29%	0.285	S	S	.	.	H	α-helix	trans	-72.2	-40.8	172.5	-48.9	-88.5	0	0	0	109.8	D953 L957 E958 R959	D953-N955 PolarHBondContact O-N 3.3Å; D953-N955 VanDerWaalsContact OD1-CB 3.27Å; D953-N955 WeakPolarHBondContact OD1-CB 3.34Å; D953-N955 PolarHBondContact OD1-N 3.03Å; D953-N955 PolarHBondContact OD1-ND2 2.92Å; N955-L957 VanDerWaalsContact C-N 3.35Å; N955-E958 PolarHBondContact O-N 3.44Å; N955-R959 WeakPolarHBondContact O-CB 3.28Å; N955-R959 PolarHBondContact O-N 2.93Å
956	E	94	Very high	93.9	Very high	57 Å²	57	57.7 Å²	57.7	27%	0.266	29%	0.285	S	S	.	.	H	α-helix	trans	-67.1	-35.8	172.8	-77.5	-65.8	103	0	0	111.9	D953 R959 V960 S1007	D953-E956 HydrophobicContact CB-CB 4.35Å; D953-E956 PolarHBondContact O-N 3.17Å; D953-E956 PolarHBondContact OD1-N 2.8Å; E956-R959 VanDerWaalsContact CD-NE 3.34Å; E956-R959 PolarHBondContact O-N 2.86Å; E956-R959 WeakPolarHBondContact OE1-CD 3.34Å; E956-R959 IonicContact OE1-CZ 2.78Å; E956-R959 IonicContact OE1-NE 2.66Å; E956-R959 PolarHBondContact OE1-NE 3.45Å; E956-R959 IonicContact OE1-NH2 3.91Å; E956-R959 IonicContact OE2-CZ 2.72Å; E956-R959 IonicContact OE2-NE 2.74Å; E956-R959 PolarHBondContact OE2-NE 3.37Å; E956-R959 IonicContact OE2-NH2 3.22Å; E956-R959 PolarHBondContact OE2-NH2 3.2Å; E956-V960 WeakPolarHBondContact O-CG2 3.46Å; E956-V960 PolarHBondContact O-N 3.19Å; E956-V960 VanDerWaalsContact O-N 3.13Å; E956-S1007 WeakPolarHBondContact OE2-CB 3.31Å
957	L	95.5	Very high	93.9	Very high	3 Å²	3	61.3 Å²	61.3	2%	0.016	31%	0.307	C	S	.	.	H	α-helix	trans	-61.9	-48.8	172	-167.3	67.7	0	0	0	111.7	D953 F954 N955 R959 V960 T961 W977 L992 M1006 M1009 F1011	D953-L957 PolarHBondContact O-N 3.35Å; F954-L957 HydrophobicContact CD1-CD2 3.78Å; F954-L957 HydrophobicContact CE1-CD2 3.82Å; N955-L957 VanDerWaalsContact C-N 3.35Å; L957-R959 VanDerWaalsContact C-N 3.26Å; L957-R959 PolarHBondContact O-N 3.46Å; L957-V960 PolarHBondContact O-N 3.31Å; L957-T961 PolarHBondContact O-N 3.43Å; L957-T961 PolarHBondContact O-OG1 3.49Å; L957-W977 HydrophobicContact CB-CH2 4.49Å; L957-W977 HydrophobicContact CD2-CH2 4.21Å; L957-W977 HydrophobicContact CD2-CZ3 4.49Å; L957-W977 HydrophobicContact CG-CH2 4.15Å; L957-L992 HydrophobicContact CD2-CD2 4.19Å; L957-M1006 HydrophobicContact CB-CB 4.08Å; L957-M1006 HydrophobicContact CB-SD 3.96Å; L957-M1006 HydrophobicContact CD1-CB 4.33Å; L957-M1006 HydrophobicContact CD2-SD 4.36Å; L957-M1009 HydrophobicContact CD1-CB 4.07Å; L957-M1009 HydrophobicContact CD1-SD 4.08Å; L957-F1011 HydrophobicContact CD1-CB 3.97Å; L957-F1011 HydrophobicContact CD1-CG 4.2Å
958	E	97.1	Very high	94.1	Very high	70 Å²	70	61.9 Å²	61.9	33%	0.327	32%	0.321	S	S	.	.	H	α-helix	trans	-57	-40.7	174.8	177	171.2	-172.1	0	0	111.7	F954 N955 V960 T961 W977 H981	F954-E958 WeakPolarHBondContact O-CB 3.47Å; F954-E958 PolarHBondContact O-N 3.02Å; N955-E958 PolarHBondContact O-N 3.44Å; E958-V960 VanDerWaalsContact C-N 3.34Å; E958-V960 PolarHBondContact O-N 3.16Å; E958-T961 PolarHBondContact O-N 2.67Å; E958-W977 HydrophobicContact CB-CD2 3.79Å; E958-W977 HydrophobicContact CB-CE3 3.85Å; E958-W977 HydrophobicContact CB-CG 4.41Å; E958-W977 HydrophobicContact CB-CH2 4.08Å; E958-W977 HydrophobicContact CB-CZ2 4.02Å; E958-W977 HydrophobicContact CB-CZ3 3.99Å; E958-W977 VanDerWaalsContact CD-CG 3.48Å; E958-W977 HydrophobicContact CG-CD2 3.75Å; E958-W977 HydrophobicContact CG-CE3 4.3Å; E958-W977 HydrophobicContact CG-CG 3.86Å; E958-W977 HydrophobicContact CG-CZ2 4.35Å; E958-H981 IonicContact OE2-CD2 2.72Å; E958-H981 IonicContact OE2-CE1 3.12Å; E958-H981 IonicContact OE2-NE2 3.27Å; E958-H981 PolarHBondContact OE2-NE2 3.21Å
959	R	95.4	Very high	94.3	Very high	151 Å²	151	67.6 Å²	67.6	57%	0.57	35%	0.351	S	S	*	.	H	α-helix	trans	-66.6	-28.9	-179.8	-164.3	-169.9	59.3	61.7	-1.2	113.8	N955 E956 L957	N955-R959 WeakPolarHBondContact O-CB 3.28Å; N955-R959 PolarHBondContact O-N 2.93Å; E956-R959 VanDerWaalsContact CD-NE 3.34Å; E956-R959 PolarHBondContact O-N 2.86Å; E956-R959 WeakPolarHBondContact OE1-CD 3.34Å; E956-R959 IonicContact OE1-CZ 2.78Å; E956-R959 IonicContact OE1-NE 2.66Å; E956-R959 PolarHBondContact OE1-NE 3.45Å; E956-R959 IonicContact OE1-NH2 3.91Å; E956-R959 IonicContact OE2-CZ 2.72Å; E956-R959 IonicContact OE2-NE 2.74Å; E956-R959 PolarHBondContact OE2-NE 3.37Å; E956-R959 IonicContact OE2-NH2 3.22Å; E956-R959 PolarHBondContact OE2-NH2 3.2Å; L957-R959 VanDerWaalsContact C-N 3.26Å; L957-R959 PolarHBondContact O-N 3.46Å
960	V	93.9	Very high	94.5	Very high	36 Å²	36	68.3 Å²	68.3	22%	0.218	36%	0.355	C	S	.	.	H	α-helix	trans	-103.9	-2.6	179.6	-55	0	0	0	0	114.4	E956 L957 E958 T962 M1009	E956-V960 WeakPolarHBondContact O-CG2 3.46Å; E956-V960 PolarHBondContact O-N 3.19Å; E956-V960 VanDerWaalsContact O-N 3.13Å; L957-V960 PolarHBondContact O-N 3.31Å; E958-V960 VanDerWaalsContact C-N 3.34Å; E958-V960 PolarHBondContact O-N 3.16Å; V960-T962 PolarHBondContact O-N 2.98Å; V960-M1009 WeakPolarHBondContact CG2-O 3.19Å
961	T	96.9	Very high	94.9	Very high	12 Å²	12	68.1 Å²	68.1	7%	0.074	36%	0.36	C	S	.	.			trans	-66.5	128.8	-179.1	-66.6	0	0	0	0	112.1	L957 E958 Y963 W977 F1011 I1013	L957-T961 PolarHBondContact O-N 3.43Å; L957-T961 PolarHBondContact O-OG1 3.49Å; E958-T961 PolarHBondContact O-N 2.67Å; T961-Y963 HydrophobicContact CG2-CD1 4.29Å; T961-Y963 HydrophobicContact CG2-CE1 3.69Å; T961-Y963 HydrophobicContact CG2-CE2 4.15Å; T961-Y963 WeakPolarHBondContact O-CE2 3.28Å; T961-W977 HydrophobicContact CG2-CZ2 4.1Å; T961-W977 WeakPolarHBondContact OG1-CZ2 3.45Å; T961-F1011 WeakPolarHBondContact CA-O 3.29Å; T961-F1011 HydrophobicContact CG2-CD1 3.9Å; T961-F1011 HydrophobicContact CG2-CE1 4.46Å; T961-F1011 WeakPolarHBondContact OG1-CD1 3.43Å; T961-I1013 HydrophobicContact CG2-CD1 4.09Å; T961-I1013 HydrophobicContact CG2-CG1 3.88Å
962	T	96.8	Very high	95.2	Very high	76 Å²	76	64.1 Å²	64.1	47%	0.466	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	150.3	169.7	28.2	0	0	0	0	111.8	V960 F1011 T1012 I1013	V960-T962 PolarHBondContact O-N 2.98Å; T962-F1011 PolarHBondContact N-O 3.15Å; T962-F1011 PolarHBondContact OG1-O 3.34Å; T962-F1011 VanDerWaalsContact OG1-O 3.14Å; T962-T1012 CarbonylContact O-C 3.57Å; T962-T1012 VanDerWaalsContact O-CA 3.3Å; T962-T1012 WeakPolarHBondContact O-CA 3.42Å; T962-T1012 PolarHBondContact OG1-OG1 3.1Å; T962-I1013 PolarHBondContact O-N 3.23Å
963	Y	97.2	Very high	95.5	Very high	51 Å²	51	61.1 Å²	61.1	20%	0.2	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	126.7	-175.4	-58.9	-80.7	0	0	0	110.6	T961 Y966 I973 W977 I1013	T961-Y963 HydrophobicContact CG2-CD1 4.29Å; T961-Y963 HydrophobicContact CG2-CE1 3.69Å; T961-Y963 HydrophobicContact CG2-CE2 4.15Å; T961-Y963 WeakPolarHBondContact O-CE2 3.28Å; Y963-Y966 WeakPolarHBondContact CB-O 3.2Å; Y963-I973 HydrophobicContact CD1-CD1 3.84Å; Y963-I973 HydrophobicContact CD1-CG1 4.03Å; Y963-I973 HydrophobicContact CD1-CG2 4.13Å; Y963-I973 HydrophobicContact CE1-CB 4.37Å; Y963-I973 HydrophobicContact CE1-CD1 3.91Å; Y963-I973 HydrophobicContact CE1-CG1 4.09Å; Y963-I973 HydrophobicContact CE1-CG2 3.37Å; Y963-W977 PolarHBondContact OH-NE1 3.41Å; Y963-I1013 WeakPolarHBondContact CA-O 3.36Å; Y963-I1013 HydrophobicContact CD1-CB 4.16Å; Y963-I1013 HydrophobicContact CE1-CB 4.38Å; Y963-I1013 HydrophobicContact CE1-CD1 4.18Å
964	E	95.5	Very high	95.6	Very high	99 Å²	99	63 Å²	63	46%	0.463	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.9	178.5	-69.9	174.9	-171.9	0	0	109.9	Y966 T1012 I1013 A1014 R1015	E964-Y966 PolarHBondContact O-N 3.2Å; E964-T1012 HydrophobicContact CB-CG2 4.46Å; E964-T1012 HydrophobicContact CG-CG2 3.82Å; E964-I1013 PolarHBondContact N-O 3.47Å; E964-A1014 HydrophobicContact CB-CB 3.82Å; E964-R1015 PolarHBondContact O-N 3.24Å
965	E	93.6	Very high	95.6	Very high	154 Å²	154	64.8 Å²	64.8	72%	0.72	34%	0.34	S	S	*	.	S	Bend	trans	55	-7.4	-164.4	-71.9	-166.3	-152.8	0	0	116.4	R1015	E965-R1015 HydrophobicContact CB-CB 3.61Å; E965-R1015 HydrophobicContact CB-CG 4.41Å; E965-R1015 HydrophobicContact CG-CB 4.49Å; E965-R1015 WeakPolarHBondContact OE2-CD 3.48Å; E965-R1015 IonicContact OE2-CZ 3.08Å; E965-R1015 IonicContact OE2-NH1 2.7Å; E965-R1015 PolarHBondContact OE2-NH1 3.43Å
966	Y	95.4	Very high	95.7	Very high	17 Å²	17	60 Å²	60	7%	0.067	31%	0.314	C	S	.	.			trans	-110.3	172.5	173.6	-71.7	-48	0	0	0	112.3	Y963 E964 V972 I973 I1013 R1015 L1035 E1037	Y963-Y966 WeakPolarHBondContact CB-O 3.2Å; E964-Y966 PolarHBondContact O-N 3.2Å; Y966-V972 HydrophobicContact CD1-CG1 3.97Å; Y966-V972 HydrophobicContact CE1-CG1 3.5Å; Y966-V972 VanDerWaalsContact CE1-CG1 3.5Å; Y966-V972 HydrophobicContact CE2-CG1 4.14Å; Y966-V972 HydrophobicContact CG-CG1 4.49Å; Y966-I973 HydrophobicContact CD2-CD1 3.91Å; Y966-I973 HydrophobicContact CD2-CG1 4.45Å; Y966-I973 HydrophobicContact CG-CD1 4.16Å; Y966-I973 HydrophobicContact CG-CG1 4.2Å; Y966-I1013 HydrophobicContact CD2-CG2 4.47Å; Y966-R1015 HydrophobicContact CD2-CB 4.05Å; Y966-R1015 HydrophobicContact CE1-CB 4.28Å; Y966-R1015 HydrophobicContact CE1-CG 4.01Å; Y966-R1015 HydrophobicContact CE2-CB 3.67Å; Y966-R1015 HydrophobicContact CE2-CG 4.04Å; Y966-L1035 HydrophobicContact CE2-CB 4.41Å; Y966-L1035 PolarHBondContact OH-O 3.2Å; Y966-E1037 HydrophobicContact CE1-CG 4.3Å; Y966-E1037 VanDerWaalsContact OH-CA 3.3Å; Y966-E1037 WeakPolarHBondContact OH-CA 3.21Å; Y966-E1037 WeakPolarHBondContact OH-CB 3.47Å; Y966-E1037 PolarHBondContact OH-N 2.97Å
967	T	94.9	Very high	95.9	Very high	78 Å²	78	57.5 Å²	57.5	48%	0.479	30%	0.302	S	S	.	.			trans	-132.3	158.3	169.2	62.5	0	0	0	0	109.6	D969 S970	T967-D969 PolarHBondContact O-N 2.88Å; T967-D969 VanDerWaalsContact O-N 3.1Å; T967-D969 PolarHBondContact OG1-N 3.43Å; T967-S970 PolarHBondContact N-OG 3.35Å; T967-S970 VanDerWaalsContact N-OG 3.13Å; T967-S970 WeakPolarHBondContact O-CB 3.4Å; T967-S970 PolarHBondContact O-N 3.4Å; T967-S970 PolarHBondContact O-OG 3.22Å; T967-S970 PolarHBondContact OG1-N 2.9Å; T967-S970 PolarHBondContact OG1-OG 3.4Å
968	S	94.4	Very high	96	Very high	73 Å²	73	60.6 Å²	60.6	51%	0.51	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-25.9	169.4	52.5	0	0	0	0	113.2	S970 K974	S968-S970 VanDerWaalsContact C-N 3.33Å; S968-K974 WeakPolarHBondContact O-CE 3.49Å
969	D	95	Very high	96	Very high	122 Å²	122	57.3 Å²	57.3	65%	0.652	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-16.1	176.5	-100.3	-46.7	0	0	0	114.6	T967 K974	T967-D969 PolarHBondContact O-N 2.88Å; T967-D969 VanDerWaalsContact O-N 3.1Å; T967-D969 PolarHBondContact OG1-N 3.43Å; D969-K974 VanDerWaalsContact CA-NZ 3.34Å; D969-K974 WeakPolarHBondContact O-CE 3.4Å; D969-K974 PolarHBondContact O-NZ 3.25Å; D969-K974 IonicContact OD1-NZ 3.06Å; D969-K974 PolarHBondContact OD1-NZ 3.37Å
970	S	95.4	Very high	96.1	Very high	31 Å²	31	50.1 Å²	50.1	22%	0.217	28%	0.282	C	S	.	.	S	Bend	trans	-65.5	137.2	-173.3	-64.9	0	0	0	0	112.5	T967 S968 V972 I973 K974	T967-S970 PolarHBondContact N-OG 3.35Å; T967-S970 VanDerWaalsContact N-OG 3.13Å; T967-S970 WeakPolarHBondContact O-CB 3.4Å; T967-S970 PolarHBondContact O-N 3.4Å; T967-S970 PolarHBondContact O-OG 3.22Å; T967-S970 PolarHBondContact OG1-N 2.9Å; T967-S970 PolarHBondContact OG1-OG 3.4Å; S968-S970 VanDerWaalsContact C-N 3.33Å; S970-V972 VanDerWaalsContact C-N 3.3Å; S970-V972 PolarHBondContact O-N 2.88Å; S970-I973 WeakPolarHBondContact O-CB 3.44Å; S970-I973 PolarHBondContact O-N 2.75Å; S970-K974 PolarHBondContact O-N 3.21Å
971	A	94.8	Very high	96.2	Very high	74 Å²	74	51.5 Å²	51.5	61%	0.612	29%	0.286	S	S	*	.	H	α-helix	trans	-59.9	-37.7	-173.9	0	0	0	0	0	113.5	I973 N975	A971-I973 VanDerWaalsContact C-N 3.34Å; A971-N975 WeakPolarHBondContact O-CB 3.41Å; A971-N975 PolarHBondContact O-N 3.46Å; A971-N975 PolarHBondContact O-ND2 3.4Å
972	V	95.9	Very high	96.2	Very high	9 Å²	9	54.8 Å²	54.8	6%	0.055	31%	0.309	C	S	.	.	H	α-helix	trans	-66.2	-34.5	176.2	70.3	0	0	0	0	112.4	Y966 S970 F976 L1035 L1044	Y966-V972 HydrophobicContact CD1-CG1 3.97Å; Y966-V972 HydrophobicContact CE1-CG1 3.5Å; Y966-V972 VanDerWaalsContact CE1-CG1 3.5Å; Y966-V972 HydrophobicContact CE2-CG1 4.14Å; Y966-V972 HydrophobicContact CG-CG1 4.49Å; S970-V972 VanDerWaalsContact C-N 3.3Å; S970-V972 PolarHBondContact O-N 2.88Å; V972-F976 WeakPolarHBondContact O-CB 3.36Å; V972-F976 PolarHBondContact O-N 3.01Å; V972-L1035 HydrophobicContact CG2-CD2 4.15Å; V972-L1035 HydrophobicContact CG2-CG 4.41Å; V972-L1044 HydrophobicContact CG2-CD1 3.81Å; V972-L1044 WeakPolarHBondContact O-CD1 3.28Å
973	I	97.7	Very high	96.1	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-72.2	-43.1	177.5	-62.5	-55.3	0	0	0	111.1	Y963 Y966 S970 A971 N975 F976 W977 I1013 L1035	Y963-I973 HydrophobicContact CD1-CD1 3.84Å; Y963-I973 HydrophobicContact CD1-CG1 4.03Å; Y963-I973 HydrophobicContact CD1-CG2 4.13Å; Y963-I973 HydrophobicContact CE1-CB 4.37Å; Y963-I973 HydrophobicContact CE1-CD1 3.91Å; Y963-I973 HydrophobicContact CE1-CG1 4.09Å; Y963-I973 HydrophobicContact CE1-CG2 3.37Å; Y966-I973 HydrophobicContact CD2-CD1 3.91Å; Y966-I973 HydrophobicContact CD2-CG1 4.45Å; Y966-I973 HydrophobicContact CG-CD1 4.16Å; Y966-I973 HydrophobicContact CG-CG1 4.2Å; S970-I973 WeakPolarHBondContact O-CB 3.44Å; S970-I973 PolarHBondContact O-N 2.75Å; A971-I973 VanDerWaalsContact C-N 3.34Å; I973-N975 VanDerWaalsContact C-N 3.32Å; I973-N975 PolarHBondContact O-N 2.87Å; I973-F976 WeakPolarHBondContact O-CB 3.31Å; I973-F976 PolarHBondContact O-N 2.66Å; I973-F976 VanDerWaalsContact O-N 3.16Å; I973-W977 PolarHBondContact O-N 3.16Å; I973-I1013 HydrophobicContact CD1-CB 4.28Å; I973-I1013 HydrophobicContact CD1-CD1 4.39Å; I973-I1013 HydrophobicContact CD1-CG2 3.74Å; I973-L1035 HydrophobicContact CD1-CD2 4.26Å
974	K	96.7	Very high	96	Very high	101 Å²	101	52.8 Å²	52.8	44%	0.439	30%	0.302	S	S	.	.	H	α-helix	trans	-64.3	-37.1	173.9	-72	169.9	177.2	159.6	0	112.3	S968 D969 S970 S978	S968-K974 WeakPolarHBondContact O-CE 3.49Å; D969-K974 VanDerWaalsContact CA-NZ 3.34Å; D969-K974 WeakPolarHBondContact O-CE 3.4Å; D969-K974 PolarHBondContact O-NZ 3.25Å; D969-K974 IonicContact OD1-NZ 3.06Å; D969-K974 PolarHBondContact OD1-NZ 3.37Å; S970-K974 PolarHBondContact O-N 3.21Å; K974-S978 VanDerWaalsContact O-CB 3.24Å; K974-S978 WeakPolarHBondContact O-CB 3.37Å; K974-S978 PolarHBondContact O-N 3.16Å
975	N	96.7	Very high	95.8	Very high	44 Å²	44	55.7 Å²	55.7	24%	0.235	32%	0.315	C	S	.	.	H	α-helix	trans	-66.9	-39.6	171.6	-71.8	-15.7	0	0	0	111.7	A971 I973 S978 V979 L1041 L1044	A971-N975 WeakPolarHBondContact O-CB 3.41Å; A971-N975 PolarHBondContact O-N 3.46Å; A971-N975 PolarHBondContact O-ND2 3.4Å; I973-N975 VanDerWaalsContact C-N 3.32Å; I973-N975 PolarHBondContact O-N 2.87Å; N975-S978 PolarHBondContact O-N 2.91Å; N975-V979 WeakPolarHBondContact O-CG2 3.48Å; N975-V979 PolarHBondContact O-N 3.16Å; N975-L1041 HydrophobicContact CB-CB 4.49Å; N975-L1041 HydrophobicContact CB-CG 4.47Å; N975-L1044 HydrophobicContact CB-CD1 4Å
976	F	97.7	Very high	95.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-58.4	-56.5	175.6	173.6	-95.6	0	0	0	111.2	V972 I973 S978 V979 V980 L991 I1013 L1033 L1035 L1044 L1048	V972-F976 WeakPolarHBondContact O-CB 3.36Å; V972-F976 PolarHBondContact O-N 3.01Å; I973-F976 WeakPolarHBondContact O-CB 3.31Å; I973-F976 PolarHBondContact O-N 2.66Å; I973-F976 VanDerWaalsContact O-N 3.16Å; F976-S978 VanDerWaalsContact C-N 3.34Å; F976-S978 PolarHBondContact O-N 2.85Å; F976-V979 WeakPolarHBondContact O-CB 3.45Å; F976-V979 PolarHBondContact O-N 3.04Å; F976-V980 HydrophobicContact CD1-CG2 4.11Å; F976-V980 HydrophobicContact CD2-CG2 4.22Å; F976-V980 HydrophobicContact CE1-CG2 3.71Å; F976-V980 HydrophobicContact CE2-CG2 3.83Å; F976-V980 HydrophobicContact CG-CG2 4.35Å; F976-V980 HydrophobicContact CZ-CG2 3.57Å; F976-V980 WeakPolarHBondContact O-CG2 3.35Å; F976-V980 PolarHBondContact O-N 3.44Å; F976-L991 HydrophobicContact CZ-CD2 4.29Å; F976-I1013 HydrophobicContact CD1-CD1 3.61Å; F976-I1013 HydrophobicContact CE1-CD1 3.39Å; F976-I1013 HydrophobicContact CG-CD1 4.34Å; F976-I1013 HydrophobicContact CZ-CD1 3.97Å; F976-L1033 HydrophobicContact CD2-CD2 4.35Å; F976-L1033 HydrophobicContact CE2-CD2 3.42Å; F976-L1033 VanDerWaalsContact CE2-CD2 3.42Å; F976-L1033 HydrophobicContact CZ-CD2 3.54Å; F976-L1035 HydrophobicContact CB-CD2 4.19Å; F976-L1035 HydrophobicContact CD2-CD2 4.15Å; F976-L1035 HydrophobicContact CG-CD2 4.31Å; F976-L1044 HydrophobicContact CB-CD1 4.14Å; F976-L1044 HydrophobicContact CB-CD2 4.48Å; F976-L1048 HydrophobicContact CD2-CD2 3.84Å; F976-L1048 HydrophobicContact CE2-CD1 4.26Å; F976-L1048 HydrophobicContact CE2-CD2 3.72Å
977	W	97.8	Very high	95.7	Very high	5 Å²	5	56.4 Å²	56.4	2%	0.019	32%	0.319	C	S	.	.	H	α-helix	trans	-64.6	-35.9	-179.9	-68.2	118.4	0	0	0	112.9	F954 L957 E958 T961 Y963 I973 V979 V980 H981 I1013	F954-W977 HydrophobicContact CD1-CZ3 4.47Å; L957-W977 HydrophobicContact CB-CH2 4.49Å; L957-W977 HydrophobicContact CD2-CH2 4.21Å; L957-W977 HydrophobicContact CD2-CZ3 4.49Å; L957-W977 HydrophobicContact CG-CH2 4.15Å; E958-W977 HydrophobicContact CB-CD2 3.79Å; E958-W977 HydrophobicContact CB-CE3 3.85Å; E958-W977 HydrophobicContact CB-CG 4.41Å; E958-W977 HydrophobicContact CB-CH2 4.08Å; E958-W977 HydrophobicContact CB-CZ2 4.02Å; E958-W977 HydrophobicContact CB-CZ3 3.99Å; E958-W977 VanDerWaalsContact CD-CG 3.48Å; E958-W977 HydrophobicContact CG-CD2 3.75Å; E958-W977 HydrophobicContact CG-CE3 4.3Å; E958-W977 HydrophobicContact CG-CG 3.86Å; E958-W977 HydrophobicContact CG-CZ2 4.35Å; T961-W977 HydrophobicContact CG2-CZ2 4.1Å; T961-W977 WeakPolarHBondContact OG1-CZ2 3.45Å; Y963-W977 PolarHBondContact OH-NE1 3.41Å; I973-W977 PolarHBondContact O-N 3.16Å; W977-V979 VanDerWaalsContact C-N 3.29Å; W977-V979 PolarHBondContact O-N 3.02Å; W977-V980 HydrophobicContact CE3-CB 4.11Å; W977-V980 HydrophobicContact CE3-CG1 4.11Å; W977-V980 HydrophobicContact CZ3-CB 4.5Å; W977-V980 HydrophobicContact CZ3-CG1 4.06Å; W977-V980 PolarHBondContact O-N 3.43Å; W977-H981 WeakPolarHBondContact O-CB 3.3Å; W977-H981 PolarHBondContact O-CD2 3.02Å; W977-H981 PolarHBondContact O-N 2.89Å; W977-I1013 HydrophobicContact CZ2-CD1 4.12Å
978	S	96.5	Very high	95.7	Very high	68 Å²	68	54.4 Å²	54.4	48%	0.476	30%	0.304	S	S	.	.	H	α-helix	trans	-58	-39.8	171.1	-174.5	0	0	0	0	112.6	K974 N975 F976 S982	K974-S978 VanDerWaalsContact O-CB 3.24Å; K974-S978 WeakPolarHBondContact O-CB 3.37Å; K974-S978 PolarHBondContact O-N 3.16Å; N975-S978 PolarHBondContact O-N 2.91Å; F976-S978 VanDerWaalsContact C-N 3.34Å; F976-S978 PolarHBondContact O-N 2.85Å; S978-S982 PolarHBondContact O-N 3.4Å; S978-S982 PolarHBondContact O-OG 3.07Å
979	V	97.2	Very high	95.5	Very high	2 Å²	2	54 Å²	54	1%	0.012	29%	0.293	C	S	.	.	H	α-helix	trans	-71	-49.1	174.1	170.7	0	0	0	0	111.1	N975 F976 W977 H981 S982 M983 L1041 L1044 Q1045 L1048	N975-V979 WeakPolarHBondContact O-CG2 3.48Å; N975-V979 PolarHBondContact O-N 3.16Å; F976-V979 WeakPolarHBondContact O-CB 3.45Å; F976-V979 PolarHBondContact O-N 3.04Å; W977-V979 VanDerWaalsContact C-N 3.29Å; W977-V979 PolarHBondContact O-N 3.02Å; V979-H981 PolarHBondContact O-N 3.39Å; V979-S982 CarbonylContact O-C 3.59Å; V979-S982 WeakPolarHBondContact O-CA 3.41Å; V979-S982 PolarHBondContact O-N 2.74Å; V979-S982 VanDerWaalsContact O-N 3.07Å; V979-S982 PolarHBondContact O-OG 2.87Å; V979-M983 HydrophobicContact CG1-CE 4.03Å; V979-M983 PolarHBondContact O-N 2.73Å; V979-M983 VanDerWaalsContact O-N 3.13Å; V979-L1041 HydrophobicContact CG2-CD2 4.06Å; V979-L1041 HydrophobicContact CG2-CG 4.16Å; V979-L1044 HydrophobicContact CB-CD2 4.23Å; V979-L1044 HydrophobicContact CG2-CD2 4.07Å; V979-Q1045 HydrophobicContact CG1-CB 4.21Å; V979-Q1045 HydrophobicContact CG1-CG 3.99Å; V979-Q1045 HydrophobicContact CG2-CB 3.84Å; V979-Q1045 HydrophobicContact CG2-CG 4.23Å; V979-L1048 HydrophobicContact CG1-CD2 4.28Å
980	V	97.2	Very high	95.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.6	-44	-178.7	174.1	0	0	0	0	111.9	F954 F976 W977 S982 M983 K988 L991 L1048	F954-V980 HydrophobicContact CD1-CG1 3.48Å; F954-V980 VanDerWaalsContact CD1-CG1 3.48Å; F954-V980 HydrophobicContact CE1-CG1 3.96Å; F954-V980 HydrophobicContact CG-CG1 4.26Å; F976-V980 HydrophobicContact CD1-CG2 4.11Å; F976-V980 HydrophobicContact CD2-CG2 4.22Å; F976-V980 HydrophobicContact CE1-CG2 3.71Å; F976-V980 HydrophobicContact CE2-CG2 3.83Å; F976-V980 HydrophobicContact CG-CG2 4.35Å; F976-V980 HydrophobicContact CZ-CG2 3.57Å; F976-V980 WeakPolarHBondContact O-CG2 3.35Å; F976-V980 PolarHBondContact O-N 3.44Å; W977-V980 HydrophobicContact CE3-CB 4.11Å; W977-V980 HydrophobicContact CE3-CG1 4.11Å; W977-V980 HydrophobicContact CZ3-CB 4.5Å; W977-V980 HydrophobicContact CZ3-CG1 4.06Å; W977-V980 PolarHBondContact O-N 3.43Å; V980-S982 PolarHBondContact O-N 3.13Å; V980-M983 HydrophobicContact CG2-CE 4.37Å; V980-M983 WeakPolarHBondContact O-CB 2.95Å; V980-M983 PolarHBondContact O-N 3.21Å; V980-M983 VanDerWaalsContact O-N 3.12Å; V980-K988 WeakPolarHBondContact O-CE 3.49Å; V980-L991 HydrophobicContact CB-CD2 4.38Å; V980-L991 HydrophobicContact CG1-CD2 3.88Å; V980-L991 HydrophobicContact CG2-CD2 3.55Å; V980-L1048 HydrophobicContact CG2-CD2 4.45Å
981	H	97.1	Very high	95.3	Very high	64 Å²	64	49.1 Å²	49.1	30%	0.296	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-32.5	176.7	-73.4	-54.1	0	0	0	112.5	E958 W977 V979 K988	E958-H981 IonicContact OE2-CD2 2.72Å; E958-H981 IonicContact OE2-CE1 3.12Å; E958-H981 IonicContact OE2-NE2 3.27Å; E958-H981 PolarHBondContact OE2-NE2 3.21Å; W977-H981 WeakPolarHBondContact O-CB 3.3Å; W977-H981 PolarHBondContact O-CD2 3.02Å; W977-H981 PolarHBondContact O-N 2.89Å; V979-H981 PolarHBondContact O-N 3.39Å; H981-K988 PolarHBondContact O-NZ 2.8Å
982	S	95.9	Very high	95.1	Very high	82 Å²	82	45.6 Å²	45.6	57%	0.573	23%	0.234	S	C	*	.	H	α-helix	trans	-77.9	-10.6	175.3	78.3	0	0	0	0	115.6	S978 V979 V980	S978-S982 PolarHBondContact O-N 3.4Å; S978-S982 PolarHBondContact O-OG 3.07Å; V979-S982 CarbonylContact O-C 3.59Å; V979-S982 WeakPolarHBondContact O-CA 3.41Å; V979-S982 PolarHBondContact O-N 2.74Å; V979-S982 VanDerWaalsContact O-N 3.07Å; V979-S982 PolarHBondContact O-OG 2.87Å; V980-S982 PolarHBondContact O-N 3.13Å
983	M	95.6	Very high	94.8	Very high	9 Å²	9	49.4 Å²	49.4	4%	0.044	25%	0.251	C	S	.	.	S	Bend	trans	-67.6	150.8	177.2	-74	-176.2	-176.3	0	0	112.7	V979 V980 Q987 K988 L991 L1048 L1049 I1052	V979-M983 HydrophobicContact CG1-CE 4.03Å; V979-M983 PolarHBondContact O-N 2.73Å; V979-M983 VanDerWaalsContact O-N 3.13Å; V980-M983 HydrophobicContact CG2-CE 4.37Å; V980-M983 WeakPolarHBondContact O-CB 2.95Å; V980-M983 PolarHBondContact O-N 3.21Å; V980-M983 VanDerWaalsContact O-N 3.12Å; M983-Q987 HydrophobicContact CB-CB 3.79Å; M983-Q987 HydrophobicContact CG-CB 4Å; M983-Q987 HydrophobicContact SD-CB 4.01Å; M983-K988 HydrophobicContact CB-CD 4.5Å; M983-K988 HydrophobicContact CB-CG 3.96Å; M983-K988 VanDerWaalsContact O-CE 3.3Å; M983-K988 WeakPolarHBondContact O-CE 3.31Å; M983-K988 PolarHBondContact O-NZ 3.14Å; M983-L991 HydrophobicContact CE-CD2 4.49Å; M983-L991 HydrophobicContact SD-CD2 4.26Å; M983-L1048 HydrophobicContact CE-CD2 3.54Å; M983-L1048 HydrophobicContact CE-CG 3.92Å; M983-L1049 HydrophobicContact CE-CD2 4.11Å; M983-I1052 HydrophobicContact CE-CD1 3.93Å; M983-I1052 HydrophobicContact SD-CD1 4.13Å
984	T	95.5	Very high	94.4	Very high	75 Å²	75	50.4 Å²	50.4	46%	0.46	26%	0.255	S	S	.	.			trans	-66.1	163.9	166.6	66.1	0	0	0	0	111.4	E986 Q987 K988	T984-E986 VanDerWaalsContact C-N 3.26Å; T984-E986 PolarHBondContact O-N 3.07Å; T984-Q987 VanDerWaalsContact N-OE1 3.07Å; T984-Q987 PolarHBondContact O-N 3.08Å; T984-Q987 WeakPolarHBondContact OG1-CG 3.29Å; T984-Q987 PolarHBondContact OG1-N 3.34Å; T984-Q987 PolarHBondContact OG1-OE1 2.76Å; T984-K988 WeakPolarHBondContact O-CB 3.3Å; T984-K988 WeakPolarHBondContact O-CG 3.27Å; T984-K988 PolarHBondContact O-N 3.19Å
985	E	91.8	Very high	94	Very high	161 Å²	161	45.6 Å²	45.6	75%	0.752	24%	0.235	S	C	*	.	H	α-helix	trans	-61.2	-35	175.9	-65	-177.6	166.3	0	0	112.5	K988 K989	E985-K988 WeakPolarHBondContact O-CB 3.5Å; E985-K988 PolarHBondContact O-N 3.04Å; E985-K989 WeakPolarHBondContact O-CG 3.19Å; E985-K989 PolarHBondContact O-N 3.37Å
986	E	92	Very high	93.4	Very high	132 Å²	132	43.8 Å²	43.8	62%	0.617	23%	0.225	S	C	*	.	H	α-helix	trans	-64	-47.3	173.6	-170.5	-169.7	170	0	0	111.8	T984 K988 K989 Q990	T984-E986 VanDerWaalsContact C-N 3.26Å; T984-E986 PolarHBondContact O-N 3.07Å; E986-K988 VanDerWaalsContact C-N 3.3Å; E986-K988 PolarHBondContact O-N 2.81Å; E986-K989 WeakPolarHBondContact O-CB 3.28Å; E986-K989 PolarHBondContact O-N 3.08Å; E986-Q990 VanDerWaalsContact O-CG 3.31Å; E986-Q990 WeakPolarHBondContact O-CG 3.46Å; E986-Q990 PolarHBondContact O-N 2.8Å; E986-Q990 PolarHBondContact OE1-NE2 2.9Å
987	Q	94.2	Very high	92.5	Very high	54 Å²	54	44 Å²	44	25%	0.252	23%	0.227	S	C	.	.	H	α-helix	trans	-64.7	-35.5	176.2	-73.6	169.2	-19.7	0	0	111.9	M983 T984 Q990 L991 L1049 I1052	M983-Q987 HydrophobicContact CB-CB 3.79Å; M983-Q987 HydrophobicContact CG-CB 4Å; M983-Q987 HydrophobicContact SD-CB 4.01Å; T984-Q987 VanDerWaalsContact N-OE1 3.07Å; T984-Q987 PolarHBondContact O-N 3.08Å; T984-Q987 WeakPolarHBondContact OG1-CG 3.29Å; T984-Q987 PolarHBondContact OG1-N 3.34Å; T984-Q987 PolarHBondContact OG1-OE1 2.76Å; Q987-Q990 PolarHBondContact O-N 2.91Å; Q987-L991 WeakPolarHBondContact O-CB 3.48Å; Q987-L991 PolarHBondContact O-N 3.38Å; Q987-L1049 HydrophobicContact CG-CD2 4.3Å; Q987-I1052 HydrophobicContact CB-CD1 4.34Å; Q987-I1052 WeakPolarHBondContact O-CD1 3.38Å
988	K	94.7	Very high	91.7	Very high	36 Å²	36	44.5 Å²	44.5	16%	0.157	23%	0.231	C	C	.	.	H	α-helix	trans	-63.2	-43.2	172.4	-84.2	165.2	179.2	154	0	112.1	F954 V980 H981 M983 T984 E985 E986 L991 L992	F954-K988 HydrophobicContact CD2-CB 4.34Å; F954-K988 HydrophobicContact CD2-CD 3.83Å; F954-K988 HydrophobicContact CD2-CG 4Å; F954-K988 HydrophobicContact CE1-CB 4.38Å; F954-K988 HydrophobicContact CE1-CG 4.19Å; F954-K988 HydrophobicContact CE2-CB 3.46Å; F954-K988 VanDerWaalsContact CE2-CB 3.46Å; F954-K988 HydrophobicContact CE2-CD 3.82Å; F954-K988 HydrophobicContact CE2-CG 3.58Å; F954-K988 HydrophobicContact CG-CD 4.45Å; F954-K988 HydrophobicContact CG-CG 4.46Å; F954-K988 HydrophobicContact CZ-CB 3.49Å; F954-K988 VanDerWaalsContact CZ-CB 3.49Å; F954-K988 HydrophobicContact CZ-CD 4.42Å; F954-K988 HydrophobicContact CZ-CG 3.69Å; V980-K988 WeakPolarHBondContact O-CE 3.49Å; H981-K988 PolarHBondContact O-NZ 2.8Å; M983-K988 HydrophobicContact CB-CD 4.5Å; M983-K988 HydrophobicContact CB-CG 3.96Å; M983-K988 VanDerWaalsContact O-CE 3.3Å; M983-K988 WeakPolarHBondContact O-CE 3.31Å; M983-K988 PolarHBondContact O-NZ 3.14Å; T984-K988 WeakPolarHBondContact O-CB 3.3Å; T984-K988 WeakPolarHBondContact O-CG 3.27Å; T984-K988 PolarHBondContact O-N 3.19Å; E985-K988 WeakPolarHBondContact O-CB 3.5Å; E985-K988 PolarHBondContact O-N 3.04Å; E986-K988 VanDerWaalsContact C-N 3.3Å; E986-K988 PolarHBondContact O-N 2.81Å; K988-L991 PolarHBondContact O-N 3.32Å; K988-L992 WeakPolarHBondContact O-CG 3.33Å; K988-L992 PolarHBondContact O-N 2.9Å; K988-L992 VanDerWaalsContact O-N 3.16Å
989	K	91	Very high	91.2	Very high	64 Å²	64	42.2 Å²	42.2	28%	0.278	21%	0.213	S	C	.	.	H	α-helix	trans	-62.3	-46.4	171.6	-79.5	169.1	164.3	-87.6	0	112.2	Y952 E985 E986 L991 L992 Q993 D999	Y952-K989 HydrophobicContact CE1-CG 3.85Å; Y952-K989 WeakPolarHBondContact OH-CE 3.49Å; Y952-K989 PolarHBondContact OH-NZ 3.47Å; E985-K989 WeakPolarHBondContact O-CG 3.19Å; E985-K989 PolarHBondContact O-N 3.37Å; E986-K989 WeakPolarHBondContact O-CB 3.28Å; E986-K989 PolarHBondContact O-N 3.08Å; K989-L991 VanDerWaalsContact C-N 3.3Å; K989-L991 PolarHBondContact O-N 3.12Å; K989-L992 PolarHBondContact O-N 3.12Å; K989-Q993 PolarHBondContact O-N 3.13Å; K989-D999 HydrophobicContact CB-CB 3.87Å; K989-D999 WeakPolarHBondContact CD-OD2 3.39Å; K989-D999 HydrophobicContact CG-CB 4.1Å; K989-D999 WeakPolarHBondContact CG-OD2 3.43Å; K989-D999 IonicContact NZ-OD2 3.33Å; K989-D999 PolarHBondContact NZ-OD2 3.34Å
990	Q	92	Very high	90.8	Very high	46 Å²	46	43.4 Å²	43.4	22%	0.215	22%	0.218	C	C	.	.	H	α-helix	trans	-59.2	-39.2	175.7	-71	166.7	-1.8	0	0	112.2	E986 Q987 Q993 F994 I1052	E986-Q990 VanDerWaalsContact O-CG 3.31Å; E986-Q990 WeakPolarHBondContact O-CG 3.46Å; E986-Q990 PolarHBondContact O-N 2.8Å; E986-Q990 PolarHBondContact OE1-NE2 2.9Å; Q987-Q990 PolarHBondContact O-N 2.91Å; Q990-Q993 PolarHBondContact O-N 3.31Å; Q990-F994 WeakPolarHBondContact O-CB 3.37Å; Q990-F994 PolarHBondContact O-N 3.45Å; Q990-I1052 HydrophobicContact CB-CB 4.03Å; Q990-I1052 HydrophobicContact CB-CD1 4.28Å; Q990-I1052 HydrophobicContact CB-CG1 4.18Å
991	L	93.9	Very high	90.4	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-63.3	-43.5	175.1	177	62.8	0	0	0	112.6	F954 F976 V980 M983 Q987 K988 K989 S995 L1048 I1052	F954-L991 HydrophobicContact CE1-CD2 4.37Å; F976-L991 HydrophobicContact CZ-CD2 4.29Å; V980-L991 HydrophobicContact CB-CD2 4.38Å; V980-L991 HydrophobicContact CG1-CD2 3.88Å; V980-L991 HydrophobicContact CG2-CD2 3.55Å; M983-L991 HydrophobicContact CE-CD2 4.49Å; M983-L991 HydrophobicContact SD-CD2 4.26Å; Q987-L991 WeakPolarHBondContact O-CB 3.48Å; Q987-L991 PolarHBondContact O-N 3.38Å; K988-L991 PolarHBondContact O-N 3.32Å; K989-L991 VanDerWaalsContact C-N 3.3Å; K989-L991 PolarHBondContact O-N 3.12Å; L991-S995 WeakPolarHBondContact O-CB 3.47Å; L991-S995 PolarHBondContact O-N 3.42Å; L991-S995 VanDerWaalsContact O-N 3.12Å; L991-S995 PolarHBondContact O-OG 2.85Å; L991-L1048 HydrophobicContact CD1-CD1 4.02Å; L991-I1052 HydrophobicContact CB-CD1 4.45Å; L991-I1052 HydrophobicContact CB-CG2 4.3Å; L991-I1052 HydrophobicContact CD1-CG2 4.02Å
992	L	91.1	Very high	89.9	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.4	-45.6	175.7	-66.3	164.1	0	0	0	111.2	Y952 F954 L957 K988 K989 F994 S995 T996 S998 M1006 M1009	Y952-L992 HydrophobicContact CD1-CD1 3.74Å; Y952-L992 HydrophobicContact CE1-CD1 3.63Å; F954-L992 HydrophobicContact CE1-CD2 4.42Å; F954-L992 HydrophobicContact CE1-CG 4.45Å; F954-L992 HydrophobicContact CE2-CD1 4.43Å; F954-L992 HydrophobicContact CZ-CD1 3.83Å; F954-L992 HydrophobicContact CZ-CD2 4.27Å; F954-L992 HydrophobicContact CZ-CG 3.94Å; L957-L992 HydrophobicContact CD2-CD2 4.19Å; K988-L992 WeakPolarHBondContact O-CG 3.33Å; K988-L992 PolarHBondContact O-N 2.9Å; K988-L992 VanDerWaalsContact O-N 3.16Å; K989-L992 PolarHBondContact O-N 3.12Å; L992-F994 PolarHBondContact O-N 2.64Å; L992-S995 PolarHBondContact O-N 2.95Å; L992-S995 PolarHBondContact O-OG 2.9Å; L992-T996 WeakPolarHBondContact O-CB 3.3Å; L992-T996 PolarHBondContact O-N 3.12Å; L992-T996 PolarHBondContact O-OG1 3.11Å; L992-S998 CarbonylContact C-O 3.6Å; L992-S998 WeakPolarHBondContact CB-O 3.15Å; L992-S998 VanDerWaalsContact O-O 3.13Å; L992-M1006 HydrophobicContact CD1-CE 3.58Å; L992-M1006 HydrophobicContact CD2-CE 4.08Å; L992-M1006 HydrophobicContact CG-CE 4.42Å; L992-M1009 HydrophobicContact CD2-CE 4.1Å
993	Q	87.6	Confident	89.4	Confident	89 Å²	89	38.9 Å²	38.9	42%	0.416	19%	0.192	S	C	.	.	H	α-helix	trans	-60.7	-45.5	178.4	-169	174.7	25.4	0	0	111.5	K989 Q990 S995 G997 S998 D999	K989-Q993 PolarHBondContact O-N 3.13Å; Q990-Q993 PolarHBondContact O-N 3.31Å; Q993-S995 VanDerWaalsContact C-N 3.3Å; Q993-S995 PolarHBondContact O-N 3.07Å; Q993-G997 CarbonylContact O-C 3.59Å; Q993-G997 WeakPolarHBondContact O-CA 3.35Å; Q993-G997 PolarHBondContact O-N 3.46Å; Q993-S998 WeakPolarHBondContact CA-O 3.21Å; Q993-S998 PolarHBondContact N-O 3.05Å; Q993-D999 HydrophobicContact CB-CB 4.41Å
994	F	89.8	Confident	88.8	Confident	23 Å²	23	40.4 Å²	40.4	10%	0.101	21%	0.21	C	C	.	.	H	α-helix	trans	-60	-35.5	175.8	171.4	-111.4	0	0	0	113.7	Q990 L992 P1024 A1026 L1033 A1051 I1052 C1055	Q990-F994 WeakPolarHBondContact O-CB 3.37Å; Q990-F994 PolarHBondContact O-N 3.45Å; L992-F994 PolarHBondContact O-N 2.64Å; F994-P1024 HydrophobicContact CE1-CB 4.18Å; F994-P1024 HydrophobicContact CZ-CB 4.3Å; F994-A1026 WeakPolarHBondContact O-CB 3.43Å; F994-L1033 HydrophobicContact CD1-CD1 4.25Å; F994-L1033 HydrophobicContact CE1-CD1 3.65Å; F994-A1051 HydrophobicContact CE1-CB 4.37Å; F994-A1051 HydrophobicContact CE2-CB 4.19Å; F994-A1051 HydrophobicContact CZ-CB 3.95Å; F994-I1052 HydrophobicContact CB-CB 4.47Å; F994-I1052 HydrophobicContact CB-CG2 4Å; F994-I1052 HydrophobicContact CD1-CG2 3.85Å; F994-I1052 HydrophobicContact CG-CG2 4.02Å; F994-C1055 HydrophobicContact CD2-CB 3.77Å; F994-C1055 VanDerWaalsContact CD2-SG 3.54Å; F994-C1055 HydrophobicContact CE2-CB 4.37Å; F994-C1055 VanDerWaalsContact CE2-SG 3.52Å
995	S	89.5	Confident	88.5	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-101.2	-22.2	-170.2	56.2	0	0	0	0	115.3	L991 L992 Q993 F1011 N1031	L991-S995 WeakPolarHBondContact O-CB 3.47Å; L991-S995 PolarHBondContact O-N 3.42Å; L991-S995 VanDerWaalsContact O-N 3.12Å; L991-S995 PolarHBondContact O-OG 2.85Å; L992-S995 PolarHBondContact O-N 2.95Å; L992-S995 PolarHBondContact O-OG 2.9Å; Q993-S995 VanDerWaalsContact C-N 3.3Å; Q993-S995 PolarHBondContact O-N 3.07Å; S995-F1011 WeakPolarHBondContact OG-CE2 3.43Å; S995-N1031 WeakPolarHBondContact O-CA 3.2Å
996	T	83.7	Confident	88.5	Confident	6 Å²	6	29.9 Å²	29.9	4%	0.037	16%	0.159	C	C	.	.	H	α-helix	trans	-124.8	-4.9	-176.3	73.8	0	0	0	0	113.8	K757 L992 S998 M1009 F1011 T1028 N1031	K757-T996 PolarHBondContact NZ-O 3.29Å; L992-T996 WeakPolarHBondContact O-CB 3.3Å; L992-T996 PolarHBondContact O-N 3.12Å; L992-T996 PolarHBondContact O-OG1 3.11Å; T996-S998 VanDerWaalsContact C-N 3.28Å; T996-S998 PolarHBondContact O-N 2.69Å; T996-S998 PolarHBondContact OG1-N 3.49Å; T996-S998 PolarHBondContact OG1-O 3.36Å; T996-M1009 HydrophobicContact CG2-CE 3.98Å; T996-F1011 HydrophobicContact CG2-CD2 4.35Å; T996-F1011 HydrophobicContact CG2-CE2 4.48Å; T996-T1028 CarbonylContact C-O 3.54Å; T996-N1031 WeakPolarHBondContact CA-OD1 3.38Å; T996-N1031 VanDerWaalsContact CB-OD1 3.28Å; T996-N1031 WeakPolarHBondContact CB-OD1 3.35Å; T996-N1031 HydrophobicContact CG2-CB 4.04Å
997	G	78.9	Confident	88.3	Confident	3 Å²	3	25.4 Å²	25.4	3%	0.031	14%	0.142	C	C	.	.	S	Bend	trans	82.2	-7.6	-171.7	0	0	0	0	0	114.3	Q761 Q993	Q761-G997 PolarHBondContact NE2-O 2.98Å; Q761-G997 PolarHBondContact OE1-O 3.01Å; Q993-G997 CarbonylContact O-C 3.59Å; Q993-G997 WeakPolarHBondContact O-CA 3.35Å; Q993-G997 PolarHBondContact O-N 3.46Å
998	S	81.5	Confident	87.9	Confident	17 Å²	17	28.5 Å²	28.5	12%	0.119	16%	0.155	C	C	.	.			trans	-143.3	150.1	-176.9	-172.7	0	0	0	0	112.3	L992 Q993 T996 R1000	L992-S998 CarbonylContact C-O 3.6Å; L992-S998 WeakPolarHBondContact CB-O 3.15Å; L992-S998 VanDerWaalsContact O-O 3.13Å; Q993-S998 WeakPolarHBondContact CA-O 3.21Å; Q993-S998 PolarHBondContact N-O 3.05Å; T996-S998 VanDerWaalsContact C-N 3.28Å; T996-S998 PolarHBondContact O-N 2.69Å; T996-S998 PolarHBondContact OG1-N 3.49Å; T996-S998 PolarHBondContact OG1-O 3.36Å; S998-R1000 VanDerWaalsContact C-N 3.31Å; S998-R1000 WeakPolarHBondContact OG-CB 3.33Å; S998-R1000 WeakPolarHBondContact OG-CG 3.33Å; S998-R1000 PolarHBondContact OG-N 2.76Å
999	D	86	Confident	87.5	Confident	19 Å²	19	27.5 Å²	27.5	10%	0.102	15%	0.151	C	C	.	.	S	Bend	trans	-88.6	1.5	169.6	87.2	-41.3	0	0	0	112.8	Y952 K989 Q993	Y952-D999 WeakPolarHBondContact CE1-O 3.5Å; Y952-D999 PolarHBondContact OH-O 3.14Å; K989-D999 HydrophobicContact CB-CB 3.87Å; K989-D999 WeakPolarHBondContact CD-OD2 3.39Å; K989-D999 HydrophobicContact CG-CB 4.1Å; K989-D999 WeakPolarHBondContact CG-OD2 3.43Å; K989-D999 IonicContact NZ-OD2 3.33Å; K989-D999 PolarHBondContact NZ-OD2 3.34Å; Q993-D999 HydrophobicContact CB-CB 4.41Å
1000	R	87	Confident	87.3	Confident	27 Å²	27	32.1 Å²	32.1	10%	0.102	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-80.1	145.2	-179.9	-60.4	-61.9	111.4	130.1	17.3	111.9	I814 D816 R947 S998	I814-R1000 HydrophobicContact CB-CB 4.41Å; I814-R1000 HydrophobicContact CG2-CB 3.79Å; I814-R1000 HydrophobicContact CG2-CG 3.93Å; D816-R1000 VanDerWaalsContact CG-NH1 3.27Å; D816-R1000 IonicContact OD1-CZ 2.66Å; D816-R1000 IonicContact OD1-NH1 3.34Å; D816-R1000 PolarHBondContact OD1-NH1 3.29Å; D816-R1000 IonicContact OD1-NH2 3.4Å; D816-R1000 PolarHBondContact OD1-NH2 2.88Å; D816-R1000 IonicContact OD2-CZ 2.74Å; D816-R1000 IonicContact OD2-NH1 3.11Å; D816-R1000 IonicContact OD2-NH2 2.72Å; D816-R1000 PolarHBondContact OD2-NH2 2.82Å; R947-R1000 WeakPolarHBondContact O-CD 3.45Å; S998-R1000 VanDerWaalsContact C-N 3.31Å; S998-R1000 WeakPolarHBondContact OG-CB 3.33Å; S998-R1000 WeakPolarHBondContact OG-CG 3.33Å; S998-R1000 PolarHBondContact OG-N 2.76Å
1001	V	88.9	Confident	87.3	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-103.2	137.3	176.1	-176.9	0	0	0	0	108.9	G948 S949 Y952 G1005 M1006 M1009	G948-V1001 CarbonylContact C-O 3.57Å; G948-V1001 VanDerWaalsContact CA-O 3.22Å; G948-V1001 WeakPolarHBondContact CA-O 3.49Å; S949-V1001 PolarHBondContact N-O 2.88Å; Y952-V1001 HydrophobicContact CD1-CG2 3.82Å; Y952-V1001 HydrophobicContact CE1-CG2 3.74Å; Y952-V1001 HydrophobicContact CG-CG2 4.34Å; V1001-G1005 VanDerWaalsContact CG1-C 3.46Å; V1001-M1006 HydrophobicContact CG1-CB 4.45Å; V1001-M1006 HydrophobicContact CG1-CG 3.65Å; V1001-M1006 HydrophobicContact CG2-CE 3.59Å; V1001-M1006 HydrophobicContact CG2-CG 4.18Å; V1001-M1009 HydrophobicContact CG1-SD 4.43Å
1002	P	86.7	Confident	87.5	Confident	34 Å²	34	30.6 Å²	30.6	22%	0.221	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-67.1	165.2	-178.6	27.7	-35.8	0	0	0	114.2	I814 S949 G1004 G1005 K1008 M1009	I814-P1002 HydrophobicContact CD1-CB 4.21Å; S949-P1002 WeakPolarHBondContact CB-O 3.42Å; P1002-G1004 PolarHBondContact O-N 3.48Å; P1002-G1005 PolarHBondContact O-N 2.78Å; P1002-K1008 HydrophobicContact CG-CB 4.46Å; P1002-M1009 HydrophobicContact CG-CG 3.48Å; P1002-M1009 VanDerWaalsContact CG-CG 3.48Å; P1002-M1009 HydrophobicContact CG-SD 4.48Å
1003	V	85.4	Confident	87.8	Confident	18 Å²	18	30.6 Å²	30.6	11%	0.109	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	123.1	173.2	-172.5	0	0	0	0	109.6	T671 L944 L945	T671-V1003 HydrophobicContact CG2-CG1 3.64Å; L944-V1003 WeakPolarHBondContact O-CG2 3.41Å; L945-V1003 HydrophobicContact CD1-CG2 4.46Å
1004	G	83.4	Confident	88.2	Confident	41 Å²	41	26.7 Å²	26.7	42%	0.423	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.2	-2.8	-171.7	0	0	0	0	0	114.8	P1002 S1007	P1002-G1004 PolarHBondContact O-N 3.48Å; G1004-S1007 PolarHBondContact O-OG 3.13Å
1005	G	88.5	Confident	88.5	Confident	12 Å²	12	30 Å²	30	12%	0.124	16%	0.159	C	C	.	.			trans	87.2	-175.6	172.4	0	0	0	0	0	114.5	V1001 P1002 S1007 K1008	V1001-G1005 VanDerWaalsContact CG1-C 3.46Å; P1002-G1005 PolarHBondContact O-N 2.78Å; G1005-S1007 PolarHBondContact O-N 2.88Å; G1005-S1007 VanDerWaalsContact O-N 3.12Å; G1005-K1008 PolarHBondContact O-N 2.97Å
1006	M	92.1	Very high	88.7	Confident	3 Å²	3	32.5 Å²	32.5	2%	0.015	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-61.6	-22.8	-175.6	-69.8	-173.9	167.6	0	0	113.6	Y952 F954 L957 L992 V1001 K1008 M1009	Y952-M1006 HydrophobicContact CD1-CE 3.64Å; Y952-M1006 HydrophobicContact CE1-CE 4.48Å; Y952-M1006 HydrophobicContact CG-CE 4.28Å; F954-M1006 HydrophobicContact CD2-CE 4.08Å; F954-M1006 HydrophobicContact CD2-SD 4.07Å; F954-M1006 HydrophobicContact CE2-CE 3.6Å; F954-M1006 HydrophobicContact CE2-SD 4.18Å; F954-M1006 HydrophobicContact CG-SD 4.32Å; F954-M1006 HydrophobicContact CZ-CE 3.86Å; L957-M1006 HydrophobicContact CB-CB 4.08Å; L957-M1006 HydrophobicContact CB-SD 3.96Å; L957-M1006 HydrophobicContact CD1-CB 4.33Å; L957-M1006 HydrophobicContact CD2-SD 4.36Å; L992-M1006 HydrophobicContact CD1-CE 3.58Å; L992-M1006 HydrophobicContact CD2-CE 4.08Å; L992-M1006 HydrophobicContact CG-CE 4.42Å; V1001-M1006 HydrophobicContact CG1-CB 4.45Å; V1001-M1006 HydrophobicContact CG1-CG 3.65Å; V1001-M1006 HydrophobicContact CG2-CE 3.59Å; V1001-M1006 HydrophobicContact CG2-CG 4.18Å; M1006-K1008 PolarHBondContact O-N 3.45Å; M1006-K1008 VanDerWaalsContact O-N 3.11Å; M1006-M1009 HydrophobicContact CB-SD 4.34Å; M1006-M1009 HydrophobicContact CG-SD 3.97Å; M1006-M1009 WeakPolarHBondContact O-CB 3.48Å; M1006-M1009 PolarHBondContact O-N 3.2Å
1007	S	89.4	Confident	89	Confident	38 Å²	38	33.8 Å²	33.8	27%	0.266	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-63.5	-11.5	174.3	69.9	0	0	0	0	114.6	E956 G1004 G1005	E956-S1007 WeakPolarHBondContact OE2-CB 3.31Å; G1004-S1007 PolarHBondContact O-OG 3.13Å; G1005-S1007 PolarHBondContact O-N 2.88Å; G1005-S1007 VanDerWaalsContact O-N 3.12Å
1008	K	85	Confident	89.5	Confident	119 Å²	119	36.5 Å²	36.5	52%	0.517	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-103.1	-1.5	173.3	-57	-58.3	-175.9	-177.9	0	113.4	P1002 G1005 M1006	P1002-K1008 HydrophobicContact CG-CB 4.46Å; G1005-K1008 PolarHBondContact O-N 2.97Å; M1006-K1008 PolarHBondContact O-N 3.45Å; M1006-K1008 VanDerWaalsContact O-N 3.11Å
1009	M	85.8	Confident	90	Very high	15 Å²	15	38.6 Å²	38.6	7%	0.074	22%	0.218	C	C	.	.			trans	-79	121	176.6	-64.6	-178.5	73.8	0	0	110.8	L957 V960 L992 T996 V1001 P1002 M1006 F1011	L957-M1009 HydrophobicContact CD1-CB 4.07Å; L957-M1009 HydrophobicContact CD1-SD 4.08Å; V960-M1009 WeakPolarHBondContact CG2-O 3.19Å; L992-M1009 HydrophobicContact CD2-CE 4.1Å; T996-M1009 HydrophobicContact CG2-CE 3.98Å; V1001-M1009 HydrophobicContact CG1-SD 4.43Å; P1002-M1009 HydrophobicContact CG-CG 3.48Å; P1002-M1009 VanDerWaalsContact CG-CG 3.48Å; P1002-M1009 HydrophobicContact CG-SD 4.48Å; M1006-M1009 HydrophobicContact CB-SD 4.34Å; M1006-M1009 HydrophobicContact CG-SD 3.97Å; M1006-M1009 WeakPolarHBondContact O-CB 3.48Å; M1006-M1009 PolarHBondContact O-N 3.2Å; M1009-F1011 PolarHBondContact O-N 3.11Å
1010	K	86.2	Confident	90	Very high	161 Å²	161	40.4 Å²	40.4	70%	0.7	23%	0.229	S	C	*	.			trans	-69.2	113.1	157.6	-62.9	177.8	-176.4	174.5	0	106.8	N1031	K1010-N1031 WeakPolarHBondContact O-CB 3.49Å; K1010-N1031 PolarHBondContact O-ND2 3.06Å
1011	F	94	Very high	90.1	Very high	3 Å²	3	46.2 Å²	46.2	1%	0.013	26%	0.263	C	S	.	.			trans	-135.9	129.4	179.3	-174.2	-99.7	0	0	0	109.5	L957 T961 T962 S995 T996 M1009 I1013 N1031 L1033	L957-F1011 HydrophobicContact CD1-CB 3.97Å; L957-F1011 HydrophobicContact CD1-CG 4.2Å; T961-F1011 WeakPolarHBondContact CA-O 3.29Å; T961-F1011 HydrophobicContact CG2-CD1 3.9Å; T961-F1011 HydrophobicContact CG2-CE1 4.46Å; T961-F1011 WeakPolarHBondContact OG1-CD1 3.43Å; T962-F1011 PolarHBondContact N-O 3.15Å; T962-F1011 PolarHBondContact OG1-O 3.34Å; T962-F1011 VanDerWaalsContact OG1-O 3.14Å; S995-F1011 WeakPolarHBondContact OG-CE2 3.43Å; T996-F1011 HydrophobicContact CG2-CD2 4.35Å; T996-F1011 HydrophobicContact CG2-CE2 4.48Å; M1009-F1011 PolarHBondContact O-N 3.11Å; F1011-I1013 HydrophobicContact CD1-CG1 4.41Å; F1011-I1013 HydrophobicContact CE1-CD1 4.15Å; F1011-I1013 HydrophobicContact CE1-CG1 3.79Å; F1011-N1031 HydrophobicContact CD2-CB 4.41Å; F1011-L1033 HydrophobicContact CZ-CB 4.1Å; F1011-L1033 HydrophobicContact CZ-CD2 4.38Å
1012	T	96.5	Very high	90.1	Very high	15 Å²	15	52 Å²	52	9%	0.092	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.2	-174.8	-68.3	0	0	0	0	111.2	T962 E964 N1031 I1032 L1033	T962-T1012 CarbonylContact O-C 3.57Å; T962-T1012 VanDerWaalsContact O-CA 3.3Å; T962-T1012 WeakPolarHBondContact O-CA 3.42Å; T962-T1012 PolarHBondContact OG1-OG1 3.1Å; E964-T1012 HydrophobicContact CB-CG2 4.46Å; E964-T1012 HydrophobicContact CG-CG2 3.82Å; T1012-N1031 PolarHBondContact N-O 2.97Å; T1012-N1031 VanDerWaalsContact N-O 3.12Å; T1012-I1032 HydrophobicContact CG2-CG1 4.38Å; T1012-I1032 HydrophobicContact CG2-CG2 4.23Å; T1012-I1032 CarbonylContact O-C 3.55Å; T1012-I1032 WeakPolarHBondContact O-CA 3.43Å; T1012-L1033 PolarHBondContact O-N 2.93Å
1013	I	97.7	Very high	90.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	115.9	167.2	-54.3	-179.1	0	0	0	109.2	T961 T962 Y963 E964 Y966 I973 F976 W977 F1011 L1033 L1035	T961-I1013 HydrophobicContact CG2-CD1 4.09Å; T961-I1013 HydrophobicContact CG2-CG1 3.88Å; T962-I1013 PolarHBondContact O-N 3.23Å; Y963-I1013 WeakPolarHBondContact CA-O 3.36Å; Y963-I1013 HydrophobicContact CD1-CB 4.16Å; Y963-I1013 HydrophobicContact CE1-CB 4.38Å; Y963-I1013 HydrophobicContact CE1-CD1 4.18Å; E964-I1013 PolarHBondContact N-O 3.47Å; Y966-I1013 HydrophobicContact CD2-CG2 4.47Å; I973-I1013 HydrophobicContact CD1-CB 4.28Å; I973-I1013 HydrophobicContact CD1-CD1 4.39Å; I973-I1013 HydrophobicContact CD1-CG2 3.74Å; F976-I1013 HydrophobicContact CD1-CD1 3.61Å; F976-I1013 HydrophobicContact CE1-CD1 3.39Å; F976-I1013 HydrophobicContact CG-CD1 4.34Å; F976-I1013 HydrophobicContact CZ-CD1 3.97Å; W977-I1013 HydrophobicContact CZ2-CD1 4.12Å; F1011-I1013 HydrophobicContact CD1-CG1 4.41Å; F1011-I1013 HydrophobicContact CE1-CD1 4.15Å; F1011-I1013 HydrophobicContact CE1-CG1 3.79Å; I1013-L1033 WeakPolarHBondContact CA-O 3.32Å; I1013-L1033 HydrophobicContact CD1-CD2 4.47Å; I1013-L1033 HydrophobicContact CG1-CB 4.41Å; I1013-L1033 HydrophobicContact CG1-CD2 4.35Å; I1013-L1035 HydrophobicContact CG2-CB 3.84Å; I1013-L1035 HydrophobicContact CG2-CD2 3.88Å
1014	A	96.7	Very high	90.8	Very high	7 Å²	7	53 Å²	53	6%	0.058	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	149.7	-177.5	0	0	0	0	0	111.6	E964 Q1016 I1032 L1033 L1034 L1035	E964-A1014 HydrophobicContact CB-CB 3.82Å; A1014-Q1016 PolarHBondContact O-N 3.5Å; A1014-I1032 HydrophobicContact CB-CG2 3.76Å; A1014-L1033 PolarHBondContact N-O 3.01Å; A1014-L1034 HydrophobicContact CB-CD2 4.15Å; A1014-L1034 WeakPolarHBondContact O-CA 3.37Å; A1014-L1035 PolarHBondContact O-N 2.88Å
1015	R	96	Very high	91.2	Very high	91 Å²	91	52.3 Å²	52.3	34%	0.343	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	114.9	-174.2	-177.3	161.8	175	-123.8	14.6	113.6	E964 E965 Y966 G1017 E1037	E964-R1015 PolarHBondContact O-N 3.24Å; E965-R1015 HydrophobicContact CB-CB 3.61Å; E965-R1015 HydrophobicContact CB-CG 4.41Å; E965-R1015 HydrophobicContact CG-CB 4.49Å; E965-R1015 WeakPolarHBondContact OE2-CD 3.48Å; E965-R1015 IonicContact OE2-CZ 3.08Å; E965-R1015 IonicContact OE2-NH1 2.7Å; E965-R1015 PolarHBondContact OE2-NH1 3.43Å; Y966-R1015 HydrophobicContact CD2-CB 4.05Å; Y966-R1015 HydrophobicContact CE1-CB 4.28Å; Y966-R1015 HydrophobicContact CE1-CG 4.01Å; Y966-R1015 HydrophobicContact CE2-CB 3.67Å; Y966-R1015 HydrophobicContact CE2-CG 4.04Å; R1015-G1017 PolarHBondContact O-N 3.48Å; R1015-G1017 VanDerWaalsContact O-N 3.11Å; R1015-E1037 IonicContact CZ-OE2 4Å; R1015-E1037 IonicContact NE-OE2 2.76Å; R1015-E1037 PolarHBondContact NE-OE2 3.09Å; R1015-E1037 VanDerWaalsContact NE-OE2 3.08Å; R1015-E1037 IonicContact NH2-OE2 3.19Å; R1015-E1037 PolarHBondContact NH2-OE2 3.09Å
1016	Q	93.3	Very high	91.3	Very high	53 Å²	53	52.6 Å²	52.6	25%	0.248	28%	0.277	C	S	.	.			trans	-88.9	44.4	174.4	-162.3	51.8	62.4	0	0	112.6	A1014 L1034 L1035 P1036	A1014-Q1016 PolarHBondContact O-N 3.5Å; Q1016-L1034 HydrophobicContact CB-CB 4.08Å; Q1016-L1034 HydrophobicContact CG-CB 4.24Å; Q1016-L1035 PolarHBondContact N-O 2.86Å; Q1016-P1036 HydrophobicContact CB-CG 4.06Å; Q1016-P1036 HydrophobicContact CG-CG 4.45Å
1017	G	90.4	Very high	91.1	Very high	34 Å²	34	57.1 Å²	57.1	35%	0.351	30%	0.298	S	S	.	.			trans	74.8	-162.3	-178.2	0	0	0	0	0	114.9	R1015 E1037	R1015-G1017 PolarHBondContact O-N 3.48Å; R1015-G1017 VanDerWaalsContact O-N 3.11Å; G1017-E1037 WeakPolarHBondContact O-CB 3.49Å; G1017-E1037 PolarHBondContact O-N 3.15Å; G1017-E1037 VanDerWaalsContact O-N 3.09Å
1018	A	90	Very high	90.7	Very high	59 Å²	59	56.5 Å²	56.5	49%	0.488	29%	0.293	S	S	.	.	S	Bend	trans	-74.7	-179.4	-175.9	0	0	0	0	0	113.4	T1020	A1018-T1020 PolarHBondContact O-N 3.24Å; A1018-T1020 VanDerWaalsContact O-N 3.16Å
1019	D	90.8	Very high	90.3	Very high	61 Å²	61	53.2 Å²	53.2	33%	0.326	28%	0.284	S	S	.	.	S	Bend	trans	-57.8	117.8	173.7	-172.1	43.6	0	0	0	111.9	E1037 Y1038 Q1039 K1043	D1019-E1037 WeakPolarHBondContact CA-O 3.48Å; D1019-E1037 WeakPolarHBondContact CB-O 3.28Å; D1019-E1037 PolarHBondContact N-O 3.11Å; D1019-Y1038 WeakPolarHBondContact OD1-CA 3.35Å; D1019-Q1039 HydrophobicContact CB-CG 3.79Å; D1019-K1043 WeakPolarHBondContact OD1-CE 3.3Å; D1019-K1043 IonicContact OD1-NZ 2.98Å; D1019-K1043 PolarHBondContact OD1-NZ 3.07Å; D1019-K1043 IonicContact OD2-NZ 2.71Å; D1019-K1043 PolarHBondContact OD2-NZ 3.26Å
1020	T	87	Confident	90.1	Very high	57 Å²	57	57.9 Å²	57.9	35%	0.35	30%	0.304	S	S	.	.			trans	-139.8	-179.4	179.1	60.6	0	0	0	0	110.1	A1018 R1022 K1043	A1018-T1020 PolarHBondContact O-N 3.24Å; A1018-T1020 VanDerWaalsContact O-N 3.16Å; T1020-R1022 VanDerWaalsContact C-N 3.35Å; T1020-R1022 WeakPolarHBondContact OG1-CB 3.41Å; T1020-R1022 PolarHBondContact OG1-N 2.66Å; T1020-K1043 WeakPolarHBondContact O-CE 3.24Å; T1020-K1043 PolarHBondContact O-NZ 3.4Å
1021	N	88.6	Confident	90.2	Very high	149 Å²	149	51.7 Å²	51.7	80%	0.797	28%	0.279	S	S	*	.	S	Bend	trans	-98.3	14.8	170.2	-61.5	-11.6	0	0	0	111.9	K1043	N1021-K1043 PolarHBondContact OD1-NZ 3.01Å
1022	R	88.6	Confident	90.2	Very high	123 Å²	123	52.9 Å²	52.9	46%	0.464	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-69.6	141	167.7	-168	-170.2	163.1	137.9	-7.5	107.5	T1020 S1025 Y1038	T1020-R1022 VanDerWaalsContact C-N 3.35Å; T1020-R1022 WeakPolarHBondContact OG1-CB 3.41Å; T1020-R1022 PolarHBondContact OG1-N 2.66Å; R1022-S1025 PolarHBondContact NH2-OG 2.97Å; R1022-Y1038 PolarHBondContact O-OH 2.88Å
1023	L	92.9	Very high	90.2	Very high	65 Å²	65	52.1 Å²	52.1	34%	0.34	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-74.4	166.6	169.2	-55.8	-176.6	0	0	0	110.2	L1050 A1051	L1023-L1050 HydrophobicContact CD1-CD2 4.19Å; L1023-L1050 HydrophobicContact CD1-CG 4.38Å; L1023-L1050 HydrophobicContact CD2-CD2 4.03Å; L1023-A1051 HydrophobicContact CB-CB 4.37Å
1024	P	93.4	Very high	90.1	Very high	7 Å²	7	53.1 Å²	53.1	5%	0.045	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-56	154.7	162.9	-20.3	35	0	0	0	110.7	F994 L1033 L1034 L1035 Y1038 S1047 L1048	F994-P1024 HydrophobicContact CE1-CB 4.18Å; F994-P1024 HydrophobicContact CZ-CB 4.3Å; P1024-L1033 HydrophobicContact CB-CD1 4.15Å; P1024-L1034 WeakPolarHBondContact CA-O 3.24Å; P1024-L1035 HydrophobicContact CG-CD1 4.21Å; P1024-Y1038 VanDerWaalsContact CD-OH 3.28Å; P1024-Y1038 WeakPolarHBondContact CD-OH 3.45Å; P1024-Y1038 HydrophobicContact CG-CE2 4.41Å; P1024-S1047 WeakPolarHBondContact CD-O 3.14Å; P1024-L1048 HydrophobicContact CG-CD1 4.07Å
1025	S	92.1	Very high	90.1	Very high	26 Å²	26	52.8 Å²	52.8	18%	0.182	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	172.9	170.8	41.4	0	0	0	0	109.1	R1022 L1034	R1022-S1025 PolarHBondContact NH2-OG 2.97Å; S1025-L1034 PolarHBondContact N-O 2.85Å; S1025-L1034 VanDerWaalsContact N-O 3.09Å; S1025-L1034 WeakPolarHBondContact O-CA 3.47Å; S1025-L1034 VanDerWaalsContact O-CB 3.29Å; S1025-L1034 WeakPolarHBondContact O-CB 3.26Å; S1025-L1034 PolarHBondContact O-N 2.98Å; S1025-L1034 WeakPolarHBondContact OG-CD1 3.42Å
1026	A	90.8	Very high	90	Very high	19 Å²	19	48.4 Å²	48.4	16%	0.157	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	156.5	179.5	0	0	0	0	0	112.9	F994 I1032	F994-A1026 WeakPolarHBondContact O-CB 3.43Å; A1026-I1032 CarbonylContact C-O 3.51Å; A1026-I1032 WeakPolarHBondContact CA-O 3.3Å; A1026-I1032 WeakPolarHBondContact CB-O 3.25Å
1027	H	87.2	Confident	90.1	Very high	98 Å²	98	48.9 Å²	48.9	45%	0.454	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	92.8	163.4	-62.5	-53.1	0	0	0	108.4	C1029 F1030 N1031 I1032	H1027-C1029 VanDerWaalsContact C-N 3.31Å; H1027-C1029 PolarHBondContact O-N 2.85Å; H1027-F1030 HydrophobicContact CB-CD2 4.16Å; H1027-F1030 CarbonylContact O-C 3.6Å; H1027-F1030 PolarHBondContact O-N 3.46Å; H1027-F1030 VanDerWaalsContact O-N 3.08Å; H1027-N1031 PolarHBondContact O-N 3.38Å; H1027-I1032 HydrophobicContact CB-CB 4.3Å; H1027-I1032 PolarHBondContact N-O 3.05Å; H1027-I1032 PolarHBondContact O-N 2.85Å
1028	T	82.7	Confident	90.3	Very high	25 Å²	25	47.5 Å²	47.5	15%	0.153	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-24.1	-170.6	48.8	0	0	0	0	114.5	K757 T996 F1030 N1031 F1058	K757-T1028 PolarHBondContact NZ-O 3.16Å; T996-T1028 CarbonylContact C-O 3.54Å; T1028-F1030 VanDerWaalsContact C-N 3.3Å; T1028-N1031 PolarHBondContact O-OD1 2.65Å; T1028-F1058 WeakPolarHBondContact OG1-CE1 3.15Å
1029	C	76.6	Confident	90.3	Very high	50 Å²	50	51.5 Å²	51.5	34%	0.338	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-37.6	170.6	-55.2	0	0	0	0	111.7	H1027	H1027-C1029 VanDerWaalsContact C-N 3.31Å; H1027-C1029 PolarHBondContact O-N 2.85Å
1030	F	81.4	Confident	90.4	Very high	113 Å²	113	50.6 Å²	50.6	50%	0.496	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	1.4	-173.7	-54.9	-64.1	0	0	0	113.9	E752 H1027 T1028 I1032	E752-F1030 VanDerWaalsContact OE2-CZ 3.3Å; E752-F1030 WeakPolarHBondContact OE2-CZ 3.35Å; H1027-F1030 HydrophobicContact CB-CD2 4.16Å; H1027-F1030 CarbonylContact O-C 3.6Å; H1027-F1030 PolarHBondContact O-N 3.46Å; H1027-F1030 VanDerWaalsContact O-N 3.08Å; T1028-F1030 VanDerWaalsContact C-N 3.3Å; F1030-I1032 HydrophobicContact CB-CD1 3.67Å; F1030-I1032 HydrophobicContact CB-CG1 3.79Å; F1030-I1032 HydrophobicContact CG-CD1 4.44Å; F1030-I1032 PolarHBondContact O-N 2.89Å
1031	N	88.6	Confident	90.8	Very high	30 Å²	30	50.4 Å²	50.4	16%	0.16	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	35	-173.6	-52.1	-29.9	0	0	0	113.9	S995 T996 K1010 F1011 T1012 H1027 T1028	S995-N1031 WeakPolarHBondContact O-CA 3.2Å; T996-N1031 WeakPolarHBondContact CA-OD1 3.38Å; T996-N1031 VanDerWaalsContact CB-OD1 3.28Å; T996-N1031 WeakPolarHBondContact CB-OD1 3.35Å; T996-N1031 HydrophobicContact CG2-CB 4.04Å; K1010-N1031 WeakPolarHBondContact O-CB 3.49Å; K1010-N1031 PolarHBondContact O-ND2 3.06Å; F1011-N1031 HydrophobicContact CD2-CB 4.41Å; T1012-N1031 PolarHBondContact N-O 2.97Å; T1012-N1031 VanDerWaalsContact N-O 3.12Å; H1027-N1031 PolarHBondContact O-N 3.38Å; T1028-N1031 PolarHBondContact O-OD1 2.65Å
1032	I	93.1	Very high	91.1	Very high	28 Å²	28	49.2 Å²	49.2	14%	0.144	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	119.6	-179.5	-56.7	168.8	0	0	0	109.9	T1012 A1014 A1026 H1027 F1030 L1034	T1012-I1032 HydrophobicContact CG2-CG1 4.38Å; T1012-I1032 HydrophobicContact CG2-CG2 4.23Å; T1012-I1032 CarbonylContact O-C 3.55Å; T1012-I1032 WeakPolarHBondContact O-CA 3.43Å; A1014-I1032 HydrophobicContact CB-CG2 3.76Å; A1026-I1032 CarbonylContact C-O 3.51Å; A1026-I1032 WeakPolarHBondContact CA-O 3.3Å; A1026-I1032 WeakPolarHBondContact CB-O 3.25Å; H1027-I1032 HydrophobicContact CB-CB 4.3Å; H1027-I1032 PolarHBondContact N-O 3.05Å; H1027-I1032 PolarHBondContact O-N 2.85Å; F1030-I1032 HydrophobicContact CB-CD1 3.67Å; F1030-I1032 HydrophobicContact CB-CG1 3.79Å; F1030-I1032 HydrophobicContact CG-CD1 4.44Å; F1030-I1032 PolarHBondContact O-N 2.89Å; I1032-L1034 HydrophobicContact CG2-CD2 4.15Å
1033	L	95.6	Very high	91.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	116.7	168.8	177.4	64.8	0	0	0	110.4	F976 F994 F1011 T1012 I1013 A1014 P1024 L1035	F976-L1033 HydrophobicContact CD2-CD2 4.35Å; F976-L1033 HydrophobicContact CE2-CD2 3.42Å; F976-L1033 VanDerWaalsContact CE2-CD2 3.42Å; F976-L1033 HydrophobicContact CZ-CD2 3.54Å; F994-L1033 HydrophobicContact CD1-CD1 4.25Å; F994-L1033 HydrophobicContact CE1-CD1 3.65Å; F1011-L1033 HydrophobicContact CZ-CB 4.1Å; F1011-L1033 HydrophobicContact CZ-CD2 4.38Å; T1012-L1033 PolarHBondContact O-N 2.93Å; I1013-L1033 WeakPolarHBondContact CA-O 3.32Å; I1013-L1033 HydrophobicContact CD1-CD2 4.47Å; I1013-L1033 HydrophobicContact CG1-CB 4.41Å; I1013-L1033 HydrophobicContact CG1-CD2 4.35Å; A1014-L1033 PolarHBondContact N-O 3.01Å; P1024-L1033 HydrophobicContact CB-CD1 4.15Å; L1033-L1035 PolarHBondContact O-N 3.09Å
1034	L	95.7	Very high	91.5	Very high	20 Å²	20	42.5 Å²	42.5	11%	0.105	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	102.6	177	-59.3	168.5	0	0	0	109.8	A1014 Q1016 P1024 S1025 I1032	A1014-L1034 HydrophobicContact CB-CD2 4.15Å; A1014-L1034 WeakPolarHBondContact O-CA 3.37Å; Q1016-L1034 HydrophobicContact CB-CB 4.08Å; Q1016-L1034 HydrophobicContact CG-CB 4.24Å; P1024-L1034 WeakPolarHBondContact CA-O 3.24Å; S1025-L1034 PolarHBondContact N-O 2.85Å; S1025-L1034 VanDerWaalsContact N-O 3.09Å; S1025-L1034 WeakPolarHBondContact O-CA 3.47Å; S1025-L1034 VanDerWaalsContact O-CB 3.29Å; S1025-L1034 WeakPolarHBondContact O-CB 3.26Å; S1025-L1034 PolarHBondContact O-N 2.98Å; S1025-L1034 WeakPolarHBondContact OG-CD1 3.42Å; I1032-L1034 HydrophobicContact CG2-CD2 4.15Å
1035	L	96.4	Very high	91.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.6	-172.2	-172.9	60.8	0	0	0	111.5	Y966 V972 I973 F976 I1013 A1014 Q1016 P1024 L1033 Y1038	Y966-L1035 HydrophobicContact CE2-CB 4.41Å; Y966-L1035 PolarHBondContact OH-O 3.2Å; V972-L1035 HydrophobicContact CG2-CD2 4.15Å; V972-L1035 HydrophobicContact CG2-CG 4.41Å; I973-L1035 HydrophobicContact CD1-CD2 4.26Å; F976-L1035 HydrophobicContact CB-CD2 4.19Å; F976-L1035 HydrophobicContact CD2-CD2 4.15Å; F976-L1035 HydrophobicContact CG-CD2 4.31Å; I1013-L1035 HydrophobicContact CG2-CB 3.84Å; I1013-L1035 HydrophobicContact CG2-CD2 3.88Å; A1014-L1035 PolarHBondContact O-N 2.88Å; Q1016-L1035 PolarHBondContact N-O 2.86Å; P1024-L1035 HydrophobicContact CG-CD1 4.21Å; L1033-L1035 PolarHBondContact O-N 3.09Å; L1035-Y1038 HydrophobicContact CD1-CD2 4.32Å; L1035-Y1038 HydrophobicContact CD1-CE2 3.96Å
1036	P	95.7	Very high	91.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.255	C	S	.	.			trans	-69	152.7	171.3	-20.7	32.8	0	0	0	112.9	Q1016 Y1038	Q1016-P1036 HydrophobicContact CB-CG 4.06Å; Q1016-P1036 HydrophobicContact CG-CG 4.45Å; P1036-Y1038 HydrophobicContact CB-CD1 4.39Å; P1036-Y1038 HydrophobicContact CB-CE1 3.95Å; P1036-Y1038 HydrophobicContact CB-CE2 4.3Å; P1036-Y1038 HydrophobicContact CG-CE1 4.23Å; P1036-Y1038 HydrophobicContact CG-CE2 4.32Å; P1036-Y1038 WeakPolarHBondContact O-CD2 3.32Å; P1036-Y1038 PolarHBondContact O-N 3.42Å
1037	E	94.4	Very high	91.9	Very high	62 Å²	62	51 Å²	51	29%	0.29	25%	0.252	S	S	.	.			trans	-77.6	63.5	-177	-161.4	178.5	173.2	0	0	113.7	Y966 R1015 G1017 D1019 Q1039	Y966-E1037 HydrophobicContact CE1-CG 4.3Å; Y966-E1037 VanDerWaalsContact OH-CA 3.3Å; Y966-E1037 WeakPolarHBondContact OH-CA 3.21Å; Y966-E1037 WeakPolarHBondContact OH-CB 3.47Å; Y966-E1037 PolarHBondContact OH-N 2.97Å; R1015-E1037 IonicContact CZ-OE2 4Å; R1015-E1037 IonicContact NE-OE2 2.76Å; R1015-E1037 PolarHBondContact NE-OE2 3.09Å; R1015-E1037 VanDerWaalsContact NE-OE2 3.08Å; R1015-E1037 IonicContact NH2-OE2 3.19Å; R1015-E1037 PolarHBondContact NH2-OE2 3.09Å; G1017-E1037 WeakPolarHBondContact O-CB 3.49Å; G1017-E1037 PolarHBondContact O-N 3.15Å; G1017-E1037 VanDerWaalsContact O-N 3.09Å; D1019-E1037 WeakPolarHBondContact CA-O 3.48Å; D1019-E1037 WeakPolarHBondContact CB-O 3.28Å; D1019-E1037 PolarHBondContact N-O 3.11Å; E1037-Q1039 PolarHBondContact O-N 3.26Å; E1037-Q1039 PolarHBondContact O-NE2 2.87Å; E1037-Q1039 VanDerWaalsContact O-NE2 3.08Å
1038	Y	94.6	Very high	92.3	Very high	6 Å²	6	46.3 Å²	46.3	2%	0.024	23%	0.23	C	C	.	.			trans	-59.7	128.4	-177.2	-58.2	-61.8	0	0	0	113.1	D1019 R1022 P1024 L1035 P1036 S1040 K1043 L1044 S1047	D1019-Y1038 WeakPolarHBondContact OD1-CA 3.35Å; R1022-Y1038 PolarHBondContact O-OH 2.88Å; P1024-Y1038 VanDerWaalsContact CD-OH 3.28Å; P1024-Y1038 WeakPolarHBondContact CD-OH 3.45Å; P1024-Y1038 HydrophobicContact CG-CE2 4.41Å; L1035-Y1038 HydrophobicContact CD1-CD2 4.32Å; L1035-Y1038 HydrophobicContact CD1-CE2 3.96Å; P1036-Y1038 HydrophobicContact CB-CD1 4.39Å; P1036-Y1038 HydrophobicContact CB-CE1 3.95Å; P1036-Y1038 HydrophobicContact CB-CE2 4.3Å; P1036-Y1038 HydrophobicContact CG-CE1 4.23Å; P1036-Y1038 HydrophobicContact CG-CE2 4.32Å; P1036-Y1038 WeakPolarHBondContact O-CD2 3.32Å; P1036-Y1038 PolarHBondContact O-N 3.42Å; Y1038-S1040 VanDerWaalsContact C-N 3.29Å; Y1038-S1040 PolarHBondContact O-N 3.13Å; Y1038-K1043 HydrophobicContact CD1-CD 3.95Å; Y1038-K1043 HydrophobicContact CD1-CG 3.99Å; Y1038-L1044 HydrophobicContact CD2-CB 3.83Å; Y1038-L1044 HydrophobicContact CD2-CD1 4.33Å; Y1038-L1044 HydrophobicContact CD2-CG 3.88Å; Y1038-L1044 HydrophobicContact CE2-CG 4.48Å; Y1038-L1044 HydrophobicContact CG-CB 4.32Å; Y1038-S1047 WeakPolarHBondContact OH-CB 3.36Å
1039	Q	90.8	Very high	92.9	Very high	142 Å²	142	47 Å²	47	66%	0.664	23%	0.233	S	C	*	.	S	Bend	trans	-75.9	-9.5	-177.2	-61.3	-58.9	-68.2	0	0	114.8	D1019 E1037	D1019-Q1039 HydrophobicContact CB-CG 3.79Å; E1037-Q1039 PolarHBondContact O-N 3.26Å; E1037-Q1039 PolarHBondContact O-NE2 2.87Å; E1037-Q1039 VanDerWaalsContact O-NE2 3.08Å
1040	S	92.7	Very high	93.7	Very high	42 Å²	42	48.4 Å²	48.4	29%	0.294	24%	0.236	S	C	.	.	S	Bend	trans	-141	149.8	-178.5	109.3	0	0	0	0	112	Y1038 E1042 K1043 L1044	Y1038-S1040 VanDerWaalsContact C-N 3.29Å; Y1038-S1040 PolarHBondContact O-N 3.13Å; S1040-E1042 VanDerWaalsContact C-N 3.33Å; S1040-E1042 WeakPolarHBondContact CB-OE2 3.38Å; S1040-E1042 PolarHBondContact OG-N 2.95Å; S1040-E1042 PolarHBondContact OG-OE2 2.84Å; S1040-K1043 PolarHBondContact O-N 2.85Å; S1040-K1043 PolarHBondContact OG-N 2.68Å; S1040-K1043 VanDerWaalsContact OG-N 3.13Å; S1040-L1044 PolarHBondContact O-N 3.49Å; S1040-L1044 VanDerWaalsContact O-N 3.09Å
1041	L	94.2	Very high	94.2	Very high	53 Å²	53	43.2 Å²	43.2	28%	0.277	21%	0.214	S	C	.	.	H	α-helix	trans	-65.2	-40	179.3	-176.5	154.8	0	0	0	110.7	N975 V979 K1043 L1044 Q1045	N975-L1041 HydrophobicContact CB-CB 4.49Å; N975-L1041 HydrophobicContact CB-CG 4.47Å; V979-L1041 HydrophobicContact CG2-CD2 4.06Å; V979-L1041 HydrophobicContact CG2-CG 4.16Å; L1041-K1043 VanDerWaalsContact C-N 3.34Å; L1041-K1043 PolarHBondContact O-N 3.29Å; L1041-L1044 PolarHBondContact O-N 3.44Å; L1041-Q1045 VanDerWaalsContact O-CB 3.32Å; L1041-Q1045 WeakPolarHBondContact O-CB 3.42Å; L1041-Q1045 PolarHBondContact O-N 3.25Å
1042	E	94.9	Very high	94.4	Very high	125 Å²	125	42.1 Å²	42.1	58%	0.584	21%	0.209	S	C	*	.	H	α-helix	trans	-63.1	-41.1	178.8	-49.5	81.9	176.5	0	0	111.2	S1040 Q1045 Q1046	S1040-E1042 VanDerWaalsContact C-N 3.33Å; S1040-E1042 WeakPolarHBondContact CB-OE2 3.38Å; S1040-E1042 PolarHBondContact OG-N 2.95Å; S1040-E1042 PolarHBondContact OG-OE2 2.84Å; E1042-Q1045 PolarHBondContact O-N 3.39Å; E1042-Q1046 VanDerWaalsContact O-CB 3.31Å; E1042-Q1046 WeakPolarHBondContact O-CB 3.38Å; E1042-Q1046 PolarHBondContact O-N 3.38Å
1043	K	94.7	Very high	94.3	Very high	46 Å²	46	44.5 Å²	44.5	20%	0.2	23%	0.225	C	C	.	.	H	α-helix	trans	-67.2	-42.4	176.6	-169.5	-179.8	-177.8	-171.3	0	111.5	D1019 T1020 N1021 Y1038 S1040 L1041 S1047	D1019-K1043 WeakPolarHBondContact OD1-CE 3.3Å; D1019-K1043 IonicContact OD1-NZ 2.98Å; D1019-K1043 PolarHBondContact OD1-NZ 3.07Å; D1019-K1043 IonicContact OD2-NZ 2.71Å; D1019-K1043 PolarHBondContact OD2-NZ 3.26Å; T1020-K1043 WeakPolarHBondContact O-CE 3.24Å; T1020-K1043 PolarHBondContact O-NZ 3.4Å; N1021-K1043 PolarHBondContact OD1-NZ 3.01Å; Y1038-K1043 HydrophobicContact CD1-CD 3.95Å; Y1038-K1043 HydrophobicContact CD1-CG 3.99Å; S1040-K1043 PolarHBondContact O-N 2.85Å; S1040-K1043 PolarHBondContact OG-N 2.68Å; S1040-K1043 VanDerWaalsContact OG-N 3.13Å; L1041-K1043 VanDerWaalsContact C-N 3.34Å; L1041-K1043 PolarHBondContact O-N 3.29Å; K1043-S1047 VanDerWaalsContact O-CB 3.28Å; K1043-S1047 WeakPolarHBondContact O-CB 3.31Å; K1043-S1047 PolarHBondContact O-N 2.9Å; K1043-S1047 PolarHBondContact O-OG 3.3Å
1044	L	96.3	Very high	93.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.7	-52.3	173.3	-172.1	157.8	0	0	0	110.7	V972 N975 F976 V979 Y1038 S1040 L1041 Q1046 S1047 L1048	V972-L1044 HydrophobicContact CG2-CD1 3.81Å; V972-L1044 WeakPolarHBondContact O-CD1 3.28Å; N975-L1044 HydrophobicContact CB-CD1 4Å; F976-L1044 HydrophobicContact CB-CD1 4.14Å; F976-L1044 HydrophobicContact CB-CD2 4.48Å; V979-L1044 HydrophobicContact CB-CD2 4.23Å; V979-L1044 HydrophobicContact CG2-CD2 4.07Å; Y1038-L1044 HydrophobicContact CD2-CB 3.83Å; Y1038-L1044 HydrophobicContact CD2-CD1 4.33Å; Y1038-L1044 HydrophobicContact CD2-CG 3.88Å; Y1038-L1044 HydrophobicContact CE2-CG 4.48Å; Y1038-L1044 HydrophobicContact CG-CB 4.32Å; S1040-L1044 PolarHBondContact O-N 3.49Å; S1040-L1044 VanDerWaalsContact O-N 3.09Å; L1041-L1044 PolarHBondContact O-N 3.44Å; L1044-Q1046 PolarHBondContact O-N 3.03Å; L1044-S1047 PolarHBondContact O-N 3.48Å; L1044-L1048 HydrophobicContact CD2-CB 4.42Å; L1044-L1048 HydrophobicContact CD2-CD2 4.08Å; L1044-L1048 WeakPolarHBondContact O-CB 3.46Å; L1044-L1048 PolarHBondContact O-N 3.09Å
1045	Q	96.2	Very high	92.3	Very high	73 Å²	73	52.3 Å²	52.3	34%	0.341	27%	0.266	S	S	.	.	H	α-helix	trans	-57.6	-48.8	-179.4	-174.9	176.4	15.9	0	0	111.7	V979 L1041 E1042 S1047 L1049	V979-Q1045 HydrophobicContact CG1-CB 4.21Å; V979-Q1045 HydrophobicContact CG1-CG 3.99Å; V979-Q1045 HydrophobicContact CG2-CB 3.84Å; V979-Q1045 HydrophobicContact CG2-CG 4.23Å; L1041-Q1045 VanDerWaalsContact O-CB 3.32Å; L1041-Q1045 WeakPolarHBondContact O-CB 3.42Å; L1041-Q1045 PolarHBondContact O-N 3.25Å; E1042-Q1045 PolarHBondContact O-N 3.39Å; Q1045-S1047 PolarHBondContact O-N 2.82Å; Q1045-L1049 HydrophobicContact CG-CD1 3.87Å; Q1045-L1049 HydrophobicContact CG-CG 4.46Å; Q1045-L1049 VanDerWaalsContact O-CB 3.3Å; Q1045-L1049 WeakPolarHBondContact O-CB 3.37Å; Q1045-L1049 VanDerWaalsContact O-CG 3.25Å; Q1045-L1049 WeakPolarHBondContact O-CG 3.43Å; Q1045-L1049 PolarHBondContact O-N 3.43Å
1046	Q	94.3	Very high	90.5	Very high	144 Å²	144	61.1 Å²	61.1	67%	0.673	30%	0.304	S	S	*	.	H	α-helix	trans	-62.7	-43.7	178.8	-174.8	177.9	1.5	0	0	111.8	E1042 L1044 L1050	E1042-Q1046 VanDerWaalsContact O-CB 3.31Å; E1042-Q1046 WeakPolarHBondContact O-CB 3.38Å; E1042-Q1046 PolarHBondContact O-N 3.38Å; L1044-Q1046 PolarHBondContact O-N 3.03Å; Q1046-L1050 VanDerWaalsContact O-CB 3.24Å; Q1046-L1050 WeakPolarHBondContact O-CB 3.5Å; Q1046-L1050 PolarHBondContact O-N 2.85Å
1047	S	94.6	Very high	88.4	Confident	14 Å²	14	63.7 Å²	63.7	10%	0.098	33%	0.331	C	S	.	.	H	α-helix	trans	-74	-36.6	-175.6	-50.4	0	0	0	0	112.2	P1024 Y1038 K1043 L1044 Q1045 A1051	P1024-S1047 WeakPolarHBondContact CD-O 3.14Å; Y1038-S1047 WeakPolarHBondContact OH-CB 3.36Å; K1043-S1047 VanDerWaalsContact O-CB 3.28Å; K1043-S1047 WeakPolarHBondContact O-CB 3.31Å; K1043-S1047 PolarHBondContact O-N 2.9Å; K1043-S1047 PolarHBondContact O-OG 3.3Å; L1044-S1047 PolarHBondContact O-N 3.48Å; Q1045-S1047 PolarHBondContact O-N 2.82Å; S1047-A1051 PolarHBondContact O-N 2.72Å; S1047-A1051 VanDerWaalsContact O-N 3.15Å
1048	L	95.1	Very high	86.5	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-70	-47.9	176.5	-176.4	62.9	0	0	0	111.6	F976 V979 V980 M983 L991 P1024 L1044 L1050 A1051 I1052	F976-L1048 HydrophobicContact CD2-CD2 3.84Å; F976-L1048 HydrophobicContact CE2-CD1 4.26Å; F976-L1048 HydrophobicContact CE2-CD2 3.72Å; V979-L1048 HydrophobicContact CG1-CD2 4.28Å; V980-L1048 HydrophobicContact CG2-CD2 4.45Å; M983-L1048 HydrophobicContact CE-CD2 3.54Å; M983-L1048 HydrophobicContact CE-CG 3.92Å; L991-L1048 HydrophobicContact CD1-CD1 4.02Å; P1024-L1048 HydrophobicContact CG-CD1 4.07Å; L1044-L1048 HydrophobicContact CD2-CB 4.42Å; L1044-L1048 HydrophobicContact CD2-CD2 4.08Å; L1044-L1048 WeakPolarHBondContact O-CB 3.46Å; L1044-L1048 PolarHBondContact O-N 3.09Å; L1048-L1050 VanDerWaalsContact C-N 3.29Å; L1048-L1050 PolarHBondContact O-N 3.09Å; L1048-A1051 PolarHBondContact O-N 3.08Å; L1048-I1052 HydrophobicContact CD1-CG2 4.37Å; L1048-I1052 PolarHBondContact O-N 3.4Å; L1048-I1052 VanDerWaalsContact O-N 3.09Å
1049	L	94.6	Very high	84.2	Confident	40 Å²	40	66.2 Å²	66.2	21%	0.209	36%	0.363	C	S	.	.	H	α-helix	trans	-61.3	-39.1	176.2	-70.6	176	0	0	0	111.5	M983 Q987 Q1045 A1051 I1052 T1053	M983-L1049 HydrophobicContact CE-CD2 4.11Å; Q987-L1049 HydrophobicContact CG-CD2 4.3Å; Q1045-L1049 HydrophobicContact CG-CD1 3.87Å; Q1045-L1049 HydrophobicContact CG-CG 4.46Å; Q1045-L1049 VanDerWaalsContact O-CB 3.3Å; Q1045-L1049 WeakPolarHBondContact O-CB 3.37Å; Q1045-L1049 VanDerWaalsContact O-CG 3.25Å; Q1045-L1049 WeakPolarHBondContact O-CG 3.43Å; Q1045-L1049 PolarHBondContact O-N 3.43Å; L1049-A1051 PolarHBondContact O-N 3.37Å; L1049-I1052 HydrophobicContact CD2-CD1 4.06Å; L1049-T1053 VanDerWaalsContact O-CB 3.26Å; L1049-T1053 WeakPolarHBondContact O-CB 3.19Å; L1049-T1053 PolarHBondContact O-N 3.48Å; L1049-T1053 VanDerWaalsContact O-N 3.09Å; L1049-T1053 PolarHBondContact O-OG1 3.47Å
1050	L	93.4	Very high	81.5	Confident	78 Å²	78	67.1 Å²	67.1	41%	0.408	37%	0.369	S	S	.	.	H	α-helix	trans	-65.7	-37	177.7	-166.9	70.7	0	0	0	112.5	L1023 Q1046 L1048 H1054	L1023-L1050 HydrophobicContact CD1-CD2 4.19Å; L1023-L1050 HydrophobicContact CD1-CG 4.38Å; L1023-L1050 HydrophobicContact CD2-CD2 4.03Å; Q1046-L1050 VanDerWaalsContact O-CB 3.24Å; Q1046-L1050 WeakPolarHBondContact O-CB 3.5Å; Q1046-L1050 PolarHBondContact O-N 2.85Å; L1048-L1050 VanDerWaalsContact C-N 3.29Å; L1048-L1050 PolarHBondContact O-N 3.09Å; L1050-H1054 VanDerWaalsContact CD1-CD2 3.47Å; L1050-H1054 WeakPolarHBondContact CD1-CD2 3.47Å; L1050-H1054 PolarHBondContact O-CD2 2.7Å; L1050-H1054 VanDerWaalsContact O-CD2 3.24Å; L1050-H1054 PolarHBondContact O-N 2.79Å
1051	A	92.8	Very high	78.6	Confident	4 Å²	4	72.6 Å²	72.6	3%	0.033	41%	0.407	C	S	.	.	H	α-helix	trans	-65.5	-57	175.2	0	0	0	0	0	111.7	F994 L1023 S1047 L1048 L1049 T1053 H1054 C1055	F994-A1051 HydrophobicContact CE1-CB 4.37Å; F994-A1051 HydrophobicContact CE2-CB 4.19Å; F994-A1051 HydrophobicContact CZ-CB 3.95Å; L1023-A1051 HydrophobicContact CB-CB 4.37Å; S1047-A1051 PolarHBondContact O-N 2.72Å; S1047-A1051 VanDerWaalsContact O-N 3.15Å; L1048-A1051 PolarHBondContact O-N 3.08Å; L1049-A1051 PolarHBondContact O-N 3.37Å; A1051-T1053 PolarHBondContact O-N 3.16Å; A1051-H1054 PolarHBondContact O-N 3.08Å; A1051-H1054 VanDerWaalsContact O-N 3.11Å; A1051-C1055 PolarHBondContact O-N 3.33Å; A1051-C1055 VanDerWaalsContact O-N 3.13Å; A1051-C1055 PolarHBondContact O-SG 3.13Å
1052	I	93.3	Very high	77.9	Confident	7 Å²	7	73.6 Å²	73.6	4%	0.036	41%	0.414	C	S	.	.	H	α-helix	trans	-65.8	-24.8	-174.7	73	-178.4	0	0	0	113.1	M983 Q987 Q990 L991 F994 L1048 L1049	M983-I1052 HydrophobicContact CE-CD1 3.93Å; M983-I1052 HydrophobicContact SD-CD1 4.13Å; Q987-I1052 HydrophobicContact CB-CD1 4.34Å; Q987-I1052 WeakPolarHBondContact O-CD1 3.38Å; Q990-I1052 HydrophobicContact CB-CB 4.03Å; Q990-I1052 HydrophobicContact CB-CD1 4.28Å; Q990-I1052 HydrophobicContact CB-CG1 4.18Å; L991-I1052 HydrophobicContact CB-CD1 4.45Å; L991-I1052 HydrophobicContact CB-CG2 4.3Å; L991-I1052 HydrophobicContact CD1-CG2 4.02Å; F994-I1052 HydrophobicContact CB-CB 4.47Å; F994-I1052 HydrophobicContact CB-CG2 4Å; F994-I1052 HydrophobicContact CD1-CG2 3.85Å; F994-I1052 HydrophobicContact CG-CG2 4.02Å; L1048-I1052 HydrophobicContact CD1-CG2 4.37Å; L1048-I1052 PolarHBondContact O-N 3.4Å; L1048-I1052 VanDerWaalsContact O-N 3.09Å; L1049-I1052 HydrophobicContact CD2-CD1 4.06Å
1053	T	89.3	Confident	77	Confident	79 Å²	79	70.9 Å²	70.9	49%	0.485	41%	0.405	S	S	.	.	H	α-helix	trans	-78	-25.4	177.2	-54.9	0	0	0	0	112.9	L1049 A1051	L1049-T1053 VanDerWaalsContact O-CB 3.26Å; L1049-T1053 WeakPolarHBondContact O-CB 3.19Å; L1049-T1053 PolarHBondContact O-N 3.48Å; L1049-T1053 VanDerWaalsContact O-N 3.09Å; L1049-T1053 PolarHBondContact O-OG1 3.47Å; A1051-T1053 PolarHBondContact O-N 3.16Å
1054	H	81.9	Confident	76	Confident	126 Å²	126	72.3 Å²	72.3	58%	0.583	42%	0.416	S	S	*	.	H	α-helix	trans	-112.3	-9.3	-171	-69.6	-46.8	0	0	0	115.2	L1050 A1051 K1056	L1050-H1054 VanDerWaalsContact CD1-CD2 3.47Å; L1050-H1054 WeakPolarHBondContact CD1-CD2 3.47Å; L1050-H1054 PolarHBondContact O-CD2 2.7Å; L1050-H1054 VanDerWaalsContact O-CD2 3.24Å; L1050-H1054 PolarHBondContact O-N 2.79Å; A1051-H1054 PolarHBondContact O-N 3.08Å; A1051-H1054 VanDerWaalsContact O-N 3.11Å; H1054-K1056 PolarHBondContact O-N 3.41Å
1055	C	68.2	Low	74.8	Confident	57 Å²	57	76.5 Å²	76.5	39%	0.385	44%	0.441	S	S	.	.			trans	-80.1	109.9	172.6	-71.3	0	0	0	0	111.5	F994 A1051	F994-C1055 HydrophobicContact CD2-CB 3.77Å; F994-C1055 VanDerWaalsContact CD2-SG 3.54Å; F994-C1055 HydrophobicContact CE2-CB 4.37Å; F994-C1055 VanDerWaalsContact CE2-SG 3.52Å; A1051-C1055 PolarHBondContact O-N 3.33Å; A1051-C1055 VanDerWaalsContact O-N 3.13Å; A1051-C1055 PolarHBondContact O-SG 3.13Å
1056	K	57.7	Low	73.4	Confident	185 Å²	185	76.8 Å²	76.8	80%	0.804	45%	0.447	S	S	*	.			trans	-133.4	128.3	164.6	-75.8	-161.3	169.2	-156.4	0	109.7	H1054	H1054-K1056 PolarHBondContact O-N 3.41Å
1057	G	53.4	Low	72.1	Confident	55 Å²	55	72.3 Å²	72.3	57%	0.567	43%	0.432	S	S	*	.	S	Bend	trans	75.4	154.6	-174.6	0	0	0	0	0	113.4	G1059	G1057-G1059 VanDerWaalsContact C-N 3.33Å
1058	F	54.2	Low	70.4	Confident	46 Å²	46	76.4 Å²	76.4	20%	0.202	46%	0.456	C	S	.	.	S	Bend	trans	-76.2	-19.4	-178.1	-75.3	-123.5	0	0	0	112.8	E758 T1028 M1060 S1061	E758-F1058 HydrophobicContact CB-CD2 3.98Å; E758-F1058 HydrophobicContact CB-CE2 3.79Å; E758-F1058 HydrophobicContact CB-CZ 4.33Å; E758-F1058 HydrophobicContact CG-CD2 3.7Å; E758-F1058 HydrophobicContact CG-CE2 3.92Å; E758-F1058 VanDerWaalsContact OE1-CD2 3.28Å; E758-F1058 WeakPolarHBondContact OE1-CD2 3.38Å; E758-F1058 PolarHBondContact OE1-N 2.89Å; E758-F1058 VanDerWaalsContact OE1-N 3.08Å; T1028-F1058 WeakPolarHBondContact OG1-CE1 3.15Å; F1058-M1060 PolarHBondContact O-N 2.56Å; F1058-S1061 PolarHBondContact O-N 3.4Å; F1058-S1061 PolarHBondContact O-OG 2.98Å
1059	G	45.5	Very low	68.5	Low	75 Å²	75	82.3 Å²	82.3	77%	0.773	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	23.8	-175.7	0	0	0	0	0	117.5	G1057	G1057-G1059 VanDerWaalsContact C-N 3.33Å
1060	M	33.7	Very low	66.4	Low	161 Å²	161	85.8 Å²	85.8	79%	0.793	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.3	6.4	179.2	-78.4	-89.6	-76.9	0	0	113.4	F1058	F1058-M1060 PolarHBondContact O-N 2.56Å
1061	S	33.1	Very low	63.9	Low	157 Å²	157	86.5 Å²	86.5	100%	1.098	52%	0.524	S	S	*	.			trans	-100.9	0	171	62.1	0	0	0	0	112	F1058	F1058-S1061 PolarHBondContact O-N 3.4Å; F1058-S1061 PolarHBondContact O-OG 2.98Å

Retrieved 1,061 of 1,061 residues in 1631 ms (Link to these results)

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