A0A5K4F762_SCHMA Loading...

F-BAR domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F762, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,101 aa.

						>A0A5K4F762_SCHMA|A0A5K4F762
MSISYSGRKSMKPLNQLKTIHNEHYAKLQSKNASETELLDDLRMYCKQRASIEREYGQSLQKLVNGFLSKKELTTQSSYSSENDTILSNKQYNVWHIWYSLLAESNNLALSHLRASDNQQRLSTELKPLKYQRLSVNKRVFEQLKILQGDLAACVQEMVKSHKVYAEEEKQAQETRLKTLAAKEKIQRRSTDIFHSMAQLHRNYDKLLGKRQAFDSRSTTARNEYLFQLTAINAHLKHYFSEDLPVLAKTLDGELYEKLGEVFTTLCENEIEFCTLTQKRFDNLFKESSQINRTNAWEDFLKLSPLFNKPVQYQFEPIKGDETTKLCSATNESNLEQIARKLSRRLVIRERCIKSYENEMKMLQAGYVTSVSSMITGSNHQIQQQSTNSETENNNELLAFNQEYVENKVEELQFAIRREKIEQVKIEACLSLLRNSSIDINEFISEARIAAEAAAVVVQLNNDDRNSDLLNHSTPNRRSIVRPLGEGSSDSAASSFGANQFIDHDSRLVSDWDQSNAPYGSELLGRNTTTYSFQRSFNVVDDDVESASRFHRNGINNWSSSFPRPSTSDQIDNSTDRTSHPTYRLSSQTSTKLNCLNQNNLFPNNNETRVKHDYQNVSQISSRTHDDITVHRSTINNDNNSNKNHPNNTFNSFLSVRVGSSNDLTNNKDDIDFEAIWSENNRLHRATVVHEFRAKKSNELDLVVHETVVLLNNEPQNGWIKVRSLIDGNEGLVPISYLKLSSMDVPKHNSKILMNGDSSKQSISTPHTDGSNILHSKLTTCSEDSDQKNSKKPNQVDSTFLSLPPEIDPPRLLCTDEISSHEMSQPPLSGSFVRSLIDFRGTNTDELSFKAGAVIRVIGRAPNINDPINNSSSSAAATTRRDQLTSISGCSIDDGWWEGDLLVPVSNKNDEDQQFYSIRGVFPSMLVQSLSSVDSELWMVRWNNILSMSLDNSVEESQNSQNQNNSNIDNINSPKISTKQLHTTLNHHHNNNLVNNCPDDVNKSTKSCHLIDGEDYIQLHSKVLPSSHTVQVKSPTCHIHSSPSESIKLPHPSLSDDTKHSASNNPVTSRQPHQNSQCLHHRHHKRYHELSKADEVPIAEV
					

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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	33.2	Very low	39.6	Very low	236 Å²	236	152.8 Å²	152.8	100%	1.163	83%	0.83	S	S	*	*				0	140.5	0	-68.7	170	174.3	0	0	108.3	I3	M1-I3 PolarHBondContact O-N 2.92Å
2	S	27.5	Very low	43.6	Very low	130 Å²	130	153.1 Å²	153.1	91%	0.909	82%	0.817	S	S	*	*			trans	-96.6	94.3	-174.3	-55.8	0	0	0	0	111.8
3	I	34.9	Very low	47.1	Very low	138 Å²	138	146.4 Å²	146.4	71%	0.708	79%	0.787	S	S	*	*			trans	-93.1	114.7	173.2	-61.5	179.7	0	0	0	109.2	M1 Y5	M1-I3 PolarHBondContact O-N 2.92Å; I3-Y5 HydrophobicContact CG2-CD2 4.01Å; I3-Y5 HydrophobicContact CG2-CE2 4.01Å; I3-Y5 PolarHBondContact O-N 3Å
4	S	29.9	Very low	50.3	Low	108 Å²	108	138.3 Å²	138.3	76%	0.755	74%	0.743	S	S	*	*			trans	-83.7	87.2	-172.8	43.2	0	0	0	0	113.3	S6	S4-S6 VanDerWaalsContact C-N 3.29Å; S4-S6 PolarHBondContact O-N 3.31Å
5	Y	35.2	Very low	53.1	Low	206 Å²	206	134.7 Å²	134.7	81%	0.808	72%	0.724	S	S	*	*			trans	-80.9	68.5	170.5	-93.5	-75.1	0	0	0	113.4	I3	I3-Y5 HydrophobicContact CG2-CD2 4.01Å; I3-Y5 HydrophobicContact CG2-CE2 4.01Å; I3-Y5 PolarHBondContact O-N 3Å
6	S	31.6	Very low	55.5	Low	120 Å²	120	132.8 Å²	132.8	84%	0.839	71%	0.709	S	S	*	*			trans	-77	127.7	167.7	-67.2	0	0	0	0	111.1	S4	S4-S6 VanDerWaalsContact C-N 3.29Å; S4-S6 PolarHBondContact O-N 3.31Å
7	G	34.3	Very low	57.7	Low	81 Å²	81	126 Å²	126	84%	0.835	67%	0.673	S	S	*	*	S	Bend	trans	136.8	-35.7	158.5	0	0	0	0	0	117.3
8	R	39.9	Very low	59.7	Low	235 Å²	235	124.7 Å²	124.7	89%	0.887	66%	0.66	S	S	*	*	S	Bend	trans	-89.1	127.3	176.2	-59.7	-170.4	-156	-158.7	6.9	110.1	S10	R8-S10 PolarHBondContact O-N 2.7Å; R8-S10 VanDerWaalsContact O-N 3.09Å
9	K	44.2	Very low	61.6	Low	209 Å²	209	121.6 Å²	121.6	91%	0.909	65%	0.646	S	S	*	*			trans	-60.3	112	166.5	-66.2	176.7	-178.5	174.8	0	107.5	M11	K9-M11 PolarHBondContact O-N 3.13Å
10	S	56.1	Low	63.2	Low	116 Å²	116	118.7 Å²	118.7	81%	0.811	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-60.2	130.1	179.4	49.5	0	0	0	0	109.7	R8	R8-S10 PolarHBondContact O-N 2.7Å; R8-S10 VanDerWaalsContact O-N 3.09Å
11	M	68.8	Low	64.7	Low	102 Å²	102	113.3 Å²	113.3	50%	0.502	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-67.1	137.3	176.8	-166.4	177	-61.1	0	0	108.1	K9 N15 Q16	K9-M11 PolarHBondContact O-N 3.13Å; M11-N15 HydrophobicContact CG-CB 3.78Å; M11-N15 HydrophobicContact SD-CB 4Å; M11-Q16 HydrophobicContact CB-CB 4.4Å; M11-Q16 HydrophobicContact CG-CB 4.35Å; M11-Q16 HydrophobicContact SD-CB 4.1Å
12	K	87.6	Confident	67.7	Low	156 Å²	156	107.4 Å²	107.4	68%	0.678	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-55.3	133.2	174.9	-65.9	-178.6	179.7	179.2	0	108.3	L14 N15 Q16	K12-L14 VanDerWaalsContact C-N 3.25Å; K12-L14 PolarHBondContact O-N 3.32Å; K12-L14 VanDerWaalsContact O-N 3.09Å; K12-N15 HydrophobicContact CB-CB 4.48Å; K12-N15 WeakPolarHBondContact O-CA 3.07Å; K12-N15 WeakPolarHBondContact O-CB 3.46Å; K12-N15 PolarHBondContact O-N 3.1Å; K12-Q16 PolarHBondContact O-N 3.1Å; K12-Q16 VanDerWaalsContact O-N 3.12Å
13	P	89.4	Confident	71	Confident	66 Å²	66	105.5 Å²	105.5	43%	0.429	55%	0.552	S	S	.	*	H	α-helix	trans	-51.6	-41.3	-172.5	-31.8	36	0	0	0	114.1	N15 Q16 L17 V155 M158 V159	P13-N15 VanDerWaalsContact C-N 3.31Å; P13-N15 PolarHBondContact O-N 2.86Å; P13-Q16 PolarHBondContact O-N 3.2Å; P13-L17 PolarHBondContact O-N 3.3Å; P13-V155 HydrophobicContact CB-CG1 4.11Å; P13-M158 HydrophobicContact CB-CE 4.2Å; P13-M158 HydrophobicContact CG-CE 4.43Å; P13-V159 HydrophobicContact CB-CG2 4.4Å; P13-V159 HydrophobicContact CG-CG2 4.39Å
14	L	91.4	Very high	73.9	Confident	33 Å²	33	101 Å²	101	17%	0.173	53%	0.527	C	S	.	.	H	α-helix	trans	-61	-34.3	175.6	-174.9	63.2	0	0	0	113.9	K12 K18 A152 V155 Q156	K12-L14 VanDerWaalsContact C-N 3.25Å; K12-L14 PolarHBondContact O-N 3.32Å; K12-L14 VanDerWaalsContact O-N 3.09Å; L14-K18 HydrophobicContact CG-CD 4.48Å; L14-K18 WeakPolarHBondContact O-CB 3.5Å; L14-K18 VanDerWaalsContact O-CG 3.25Å; L14-K18 WeakPolarHBondContact O-CG 3.28Å; L14-K18 PolarHBondContact O-N 3.19Å; L14-K18 VanDerWaalsContact O-N 3.1Å; L14-A152 HydrophobicContact CD1-CB 4.01Å; L14-A152 WeakPolarHBondContact CD1-O 3.49Å; L14-V155 HydrophobicContact CB-CG1 4.06Å; L14-V155 HydrophobicContact CD1-CB 4.42Å; L14-V155 HydrophobicContact CD1-CG1 4.26Å; L14-Q156 HydrophobicContact CD1-CG 4.08Å; L14-Q156 HydrophobicContact CD2-CG 3.68Å; L14-Q156 HydrophobicContact CG-CG 4.49Å
15	N	92.4	Very high	77.1	Confident	84 Å²	84	98.7 Å²	98.7	45%	0.449	50%	0.503	S	S	.	.	H	α-helix	trans	-75.5	-38.4	176.7	-71.6	22.8	0	0	0	110.9	M11 K12 P13 K18 T19	M11-N15 HydrophobicContact CG-CB 3.78Å; M11-N15 HydrophobicContact SD-CB 4Å; K12-N15 HydrophobicContact CB-CB 4.48Å; K12-N15 WeakPolarHBondContact O-CA 3.07Å; K12-N15 WeakPolarHBondContact O-CB 3.46Å; K12-N15 PolarHBondContact O-N 3.1Å; P13-N15 VanDerWaalsContact C-N 3.31Å; P13-N15 PolarHBondContact O-N 2.86Å; N15-K18 PolarHBondContact O-N 3.24Å; N15-T19 PolarHBondContact O-N 3.44Å; N15-T19 PolarHBondContact O-OG1 2.84Å; N15-T19 VanDerWaalsContact O-OG1 3.06Å
16	Q	91.3	Very high	80	Confident	105 Å²	105	91.6 Å²	91.6	49%	0.491	49%	0.486	S	S	.	.	H	α-helix	trans	-63	-46.1	175.6	-177.8	174.3	-16.3	0	0	111	M11 K12 P13 K18 T19 I20	M11-Q16 HydrophobicContact CB-CB 4.4Å; M11-Q16 HydrophobicContact CG-CB 4.35Å; M11-Q16 HydrophobicContact SD-CB 4.1Å; K12-Q16 PolarHBondContact O-N 3.1Å; K12-Q16 VanDerWaalsContact O-N 3.12Å; P13-Q16 PolarHBondContact O-N 3.2Å; Q16-K18 PolarHBondContact O-N 3.25Å; Q16-T19 PolarHBondContact O-N 2.95Å; Q16-I20 HydrophobicContact CG-CD1 4.12Å; Q16-I20 WeakPolarHBondContact O-CG1 3.17Å; Q16-I20 PolarHBondContact O-N 3.25Å; Q16-I20 VanDerWaalsContact O-N 3.13Å
17	L	93	Very high	83.2	Confident	17 Å²	17	92 Å²	92	9%	0.089	47%	0.473	C	S	.	.	H	α-helix	trans	-56.6	-48.9	173.2	-171	83.1	0	0	0	111.4	P13 T19 I20 H21 L151 A152 V155 L236	P13-L17 PolarHBondContact O-N 3.3Å; L17-T19 PolarHBondContact O-N 3.05Å; L17-I20 PolarHBondContact O-N 3.39Å; L17-H21 WeakPolarHBondContact CD1-NE2 3.31Å; L17-H21 WeakPolarHBondContact CG-NE2 3.42Å; L17-H21 WeakPolarHBondContact O-CB 3.4Å; L17-H21 PolarHBondContact O-CD2 2.97Å; L17-H21 VanDerWaalsContact O-CG 3.31Å; L17-H21 PolarHBondContact O-N 3.39Å; L17-L151 HydrophobicContact CD1-CG 4.44Å; L17-L151 HydrophobicContact CD2-CG 4.41Å; L17-A152 HydrophobicContact CD2-CB 3.98Å; L17-V155 HydrophobicContact CD2-CB 4.34Å; L17-V155 HydrophobicContact CD2-CG2 3.85Å; L17-L236 HydrophobicContact CD1-CD2 4.02Å
18	K	94.2	Very high	86.1	Confident	102 Å²	102	89.3 Å²	89.3	44%	0.443	44%	0.439	S	S	.	.	H	α-helix	trans	-61.8	-38.2	-180	-77.7	178.4	178.2	-169.3	0	113.3	L14 N15 Q16 H21 N22	L14-K18 HydrophobicContact CG-CD 4.48Å; L14-K18 WeakPolarHBondContact O-CB 3.5Å; L14-K18 VanDerWaalsContact O-CG 3.25Å; L14-K18 WeakPolarHBondContact O-CG 3.28Å; L14-K18 PolarHBondContact O-N 3.19Å; L14-K18 VanDerWaalsContact O-N 3.1Å; N15-K18 PolarHBondContact O-N 3.24Å; Q16-K18 PolarHBondContact O-N 3.25Å; K18-H21 PolarHBondContact O-N 3.44Å; K18-N22 WeakPolarHBondContact O-CB 3.19Å; K18-N22 PolarHBondContact O-N 2.99Å; K18-N22 PolarHBondContact O-ND2 2.99Å; K18-N22 PolarHBondContact O-OD1 3.07Å
19	T	94.6	Very high	88.8	Confident	66 Å²	66	82.6 Å²	82.6	41%	0.405	42%	0.418	S	S	.	.	H	α-helix	trans	-61	-48.2	173.2	-56.8	0	0	0	0	111.1	N15 Q16 L17 H21 N22 E23	N15-T19 PolarHBondContact O-N 3.44Å; N15-T19 PolarHBondContact O-OG1 2.84Å; N15-T19 VanDerWaalsContact O-OG1 3.06Å; Q16-T19 PolarHBondContact O-N 2.95Å; L17-T19 PolarHBondContact O-N 3.05Å; T19-H21 PolarHBondContact O-N 2.84Å; T19-N22 PolarHBondContact O-N 3.16Å; T19-E23 PolarHBondContact O-N 2.72Å
20	I	93.9	Very high	91.3	Very high	63 Å²	63	76.3 Å²	76.3	32%	0.323	40%	0.4	S	S	.	.	H	α-helix	trans	-62.8	-41	178.5	-68.7	166.5	0	0	0	111.3	Q16 L17 E23 H24	Q16-I20 HydrophobicContact CG-CD1 4.12Å; Q16-I20 WeakPolarHBondContact O-CG1 3.17Å; Q16-I20 PolarHBondContact O-N 3.25Å; Q16-I20 VanDerWaalsContact O-N 3.13Å; L17-I20 PolarHBondContact O-N 3.39Å; I20-E23 WeakPolarHBondContact O-CB 3.29Å; I20-E23 PolarHBondContact O-N 2.84Å; I20-H24 WeakPolarHBondContact CG2-CE1 3.22Å; I20-H24 VanDerWaalsContact O-CG 3.24Å; I20-H24 PolarHBondContact O-N 2.89Å; I20-H24 PolarHBondContact O-ND1 2.66Å
21	H	96.1	Very high	93.2	Very high	7 Å²	7	73.9 Å²	73.9	3%	0.032	38%	0.375	C	S	.	.	H	α-helix	trans	-64.5	-42.1	177.1	-75.4	-164.6	0	0	0	112.6	L17 K18 T19 E23 H24 Y25 Q148 L151	L17-H21 WeakPolarHBondContact CD1-NE2 3.31Å; L17-H21 WeakPolarHBondContact CG-NE2 3.42Å; L17-H21 WeakPolarHBondContact O-CB 3.4Å; L17-H21 PolarHBondContact O-CD2 2.97Å; L17-H21 VanDerWaalsContact O-CG 3.31Å; L17-H21 PolarHBondContact O-N 3.39Å; K18-H21 PolarHBondContact O-N 3.44Å; T19-H21 PolarHBondContact O-N 2.84Å; H21-E23 VanDerWaalsContact C-N 3.33Å; H21-E23 PolarHBondContact O-N 2.75Å; H21-H24 PolarHBondContact O-N 3.39Å; H21-Y25 WeakPolarHBondContact O-CB 3.27Å; H21-Y25 PolarHBondContact O-N 3.26Å; H21-Q148 HydrophobicContact CB-CB 4.45Å; H21-Q148 HydrophobicContact CB-CG 4.12Å; H21-Q148 WeakPolarHBondContact ND1-CB 3.27Å; H21-Q148 PolarHBondContact ND1-O 3.48Å; H21-Q148 PolarHBondContact O-NE2 2.98Å; H21-Q148 VanDerWaalsContact O-NE2 3.07Å; H21-L151 WeakPolarHBondContact NE2-CD2 3.43Å
22	N	96.1	Very high	94.5	Very high	111 Å²	111	69.2 Å²	69.2	59%	0.594	35%	0.352	S	S	*	.	H	α-helix	trans	-62.5	-39.9	173.5	-69.6	-13.4	0	0	0	111.5	K18 T19 Y25 A26	K18-N22 WeakPolarHBondContact O-CB 3.19Å; K18-N22 PolarHBondContact O-N 2.99Å; K18-N22 PolarHBondContact O-ND2 2.99Å; K18-N22 PolarHBondContact O-OD1 3.07Å; T19-N22 PolarHBondContact O-N 3.16Å; N22-Y25 PolarHBondContact O-N 2.73Å; N22-A26 WeakPolarHBondContact O-CB 3.48Å; N22-A26 PolarHBondContact O-N 3.4Å
23	E	96.3	Very high	94.9	Very high	91 Å²	91	64.5 Å²	64.5	43%	0.425	34%	0.342	S	S	.	.	H	α-helix	trans	-64.4	-43.4	173.3	-78.2	-169.4	-132.6	0	0	112.7	T19 I20 H21 Y25 A26 K27	T19-E23 PolarHBondContact O-N 2.72Å; I20-E23 WeakPolarHBondContact O-CB 3.29Å; I20-E23 PolarHBondContact O-N 2.84Å; H21-E23 VanDerWaalsContact C-N 3.33Å; H21-E23 PolarHBondContact O-N 2.75Å; E23-Y25 VanDerWaalsContact C-N 3.35Å; E23-Y25 PolarHBondContact O-N 3.1Å; E23-A26 PolarHBondContact O-N 2.89Å; E23-K27 VanDerWaalsContact O-CB 3.27Å; E23-K27 WeakPolarHBondContact O-CB 2.99Å; E23-K27 WeakPolarHBondContact O-CD 3.34Å; E23-K27 VanDerWaalsContact O-CG 3.26Å; E23-K27 WeakPolarHBondContact O-CG 3.32Å; E23-K27 PolarHBondContact O-N 3.09Å; E23-K27 IonicContact OE2-NZ 2.77Å; E23-K27 PolarHBondContact OE2-NZ 3.11Å
24	H	95.2	Very high	95.3	Very high	42 Å²	42	64.4 Å²	64.4	19%	0.194	34%	0.343	C	S	.	.	H	α-helix	trans	-58.9	-46.8	175.1	-65.5	156.5	0	0	0	111.3	I20 H21 L28 Y239 F240	I20-H24 WeakPolarHBondContact CG2-CE1 3.22Å; I20-H24 VanDerWaalsContact O-CG 3.24Å; I20-H24 PolarHBondContact O-N 2.89Å; I20-H24 PolarHBondContact O-ND1 2.66Å; H21-H24 PolarHBondContact O-N 3.39Å; H24-L28 WeakPolarHBondContact O-CB 3.47Å; H24-L28 PolarHBondContact O-N 2.84Å; H24-Y239 AromaticContact CE1-CE1 3.82Å; H24-Y239 AromaticContact ND1-CE1 3.66Å; H24-Y239 AromaticContact ND1-CZ 3.8Å; H24-Y239 PolarHBondContact ND1-OH 3.14Å; H24-F240 AromaticContact CE1-CE1 3.48Å; H24-F240 VanDerWaalsContact CE1-CE1 3.48Å; H24-F240 WeakPolarHBondContact CE1-CE1 3.25Å; H24-F240 AromaticContact CE1-CZ 3.73Å; H24-F240 AromaticContact NE2-CE1 3.7Å
25	Y	97.2	Very high	95.5	Very high	61 Å²	61	64.2 Å²	64.2	24%	0.239	34%	0.342	C	S	.	.	H	α-helix	trans	-59.3	-51.9	177.6	-170	-73.6	0	0	0	110.8	H21 N22 E23 K27 Q29 F141 L144 K145	H21-Y25 WeakPolarHBondContact O-CB 3.27Å; H21-Y25 PolarHBondContact O-N 3.26Å; N22-Y25 PolarHBondContact O-N 2.73Å; E23-Y25 VanDerWaalsContact C-N 3.35Å; E23-Y25 PolarHBondContact O-N 3.1Å; Y25-K27 PolarHBondContact O-N 3.47Å; Y25-Q29 VanDerWaalsContact O-CB 3.23Å; Y25-Q29 WeakPolarHBondContact O-CB 3.18Å; Y25-Q29 PolarHBondContact O-N 3.32Å; Y25-F141 HydrophobicContact CD1-CD1 4.26Å; Y25-F141 HydrophobicContact CD1-CE1 4.36Å; Y25-F141 AromaticContact CD2-CD1 3.83Å; Y25-F141 HydrophobicContact CD2-CD1 3.83Å; Y25-F141 HydrophobicContact CD2-CE1 4.39Å; Y25-F141 HydrophobicContact CE1-CD1 4.01Å; Y25-F141 HydrophobicContact CE1-CE1 4.44Å; Y25-F141 HydrophobicContact CE2-CB 4.18Å; Y25-F141 AromaticContact CE2-CD1 3.56Å; Y25-F141 HydrophobicContact CE2-CD1 3.56Å; Y25-F141 HydrophobicContact CE2-CE1 4.47Å; Y25-F141 HydrophobicContact CE2-CG 4.31Å; Y25-F141 HydrophobicContact CG-CD1 4.17Å; Y25-F141 HydrophobicContact CG-CE1 4.32Å; Y25-F141 AromaticContact CZ-CD1 3.65Å; Y25-L144 HydrophobicContact CD2-CD2 3.92Å; Y25-L144 HydrophobicContact CD2-CG 4.49Å; Y25-L144 HydrophobicContact CG-CD2 4.39Å; Y25-K145 HydrophobicContact CE2-CG 4.07Å
26	A	97.3	Very high	95.6	Very high	56 Å²	56	60.8 Å²	60.8	46%	0.463	32%	0.324	S	S	.	.	H	α-helix	trans	-64.4	-41.6	-178.6	0	0	0	0	0	113	N22 E23 Q29 S30	N22-A26 WeakPolarHBondContact O-CB 3.48Å; N22-A26 PolarHBondContact O-N 3.4Å; E23-A26 PolarHBondContact O-N 2.89Å; A26-Q29 PolarHBondContact O-N 3.23Å; A26-S30 WeakPolarHBondContact O-CB 3.37Å; A26-S30 PolarHBondContact O-N 2.82Å
27	K	97	Very high	95.9	Very high	130 Å²	130	62 Å²	62	57%	0.565	33%	0.329	S	S	*	.	H	α-helix	trans	-66.7	-44.5	178.9	-74.3	165.5	175.3	165.4	0	111.8	E23 Y25 S30 K31	E23-K27 VanDerWaalsContact O-CB 3.27Å; E23-K27 WeakPolarHBondContact O-CB 2.99Å; E23-K27 WeakPolarHBondContact O-CD 3.34Å; E23-K27 VanDerWaalsContact O-CG 3.26Å; E23-K27 WeakPolarHBondContact O-CG 3.32Å; E23-K27 PolarHBondContact O-N 3.09Å; E23-K27 IonicContact OE2-NZ 2.77Å; E23-K27 PolarHBondContact OE2-NZ 3.11Å; Y25-K27 PolarHBondContact O-N 3.47Å; K27-S30 PolarHBondContact O-N 3.32Å; K27-K31 PolarHBondContact O-N 2.92Å
28	L	96.2	Very high	96	Very high	23 Å²	23	65.3 Å²	65.3	12%	0.12	35%	0.347	C	S	.	.	H	α-helix	trans	-66.6	-38.5	176.2	-171.1	66.1	0	0	0	111.5	H24 S30 K31 N32 F141 L144 A248 L251	H24-L28 WeakPolarHBondContact O-CB 3.47Å; H24-L28 PolarHBondContact O-N 2.84Å; L28-S30 VanDerWaalsContact C-N 3.34Å; L28-K31 PolarHBondContact O-N 3.49Å; L28-N32 PolarHBondContact O-N 2.78Å; L28-N32 VanDerWaalsContact O-N 3.14Å; L28-F141 HydrophobicContact CB-CE1 4.15Å; L28-F141 HydrophobicContact CB-CZ 3.95Å; L28-F141 HydrophobicContact CD2-CE1 4.12Å; L28-F141 HydrophobicContact CD2-CZ 3.95Å; L28-F141 HydrophobicContact CG-CE1 4.26Å; L28-F141 HydrophobicContact CG-CZ 3.76Å; L28-L144 HydrophobicContact CD2-CD2 4.2Å; L28-A248 HydrophobicContact CD1-CB 4.33Å; L28-L251 HydrophobicContact CD1-CD2 3.85Å; L28-L251 HydrophobicContact CD2-CD2 4.08Å; L28-L251 HydrophobicContact CG-CD2 3.67Å
29	Q	96.6	Very high	96.1	Very high	95 Å²	95	60.5 Å²	60.5	44%	0.444	33%	0.326	S	S	.	.	H	α-helix	trans	-65.4	-39.7	177.4	-172.5	180	4	0	0	111	Y25 A26 N32 A33 F141	Y25-Q29 VanDerWaalsContact O-CB 3.23Å; Y25-Q29 WeakPolarHBondContact O-CB 3.18Å; Y25-Q29 PolarHBondContact O-N 3.32Å; A26-Q29 PolarHBondContact O-N 3.23Å; Q29-N32 PolarHBondContact O-N 2.97Å; Q29-A33 WeakPolarHBondContact O-CB 3.33Å; Q29-A33 PolarHBondContact O-N 3.06Å; Q29-F141 VanDerWaalsContact CA-CZ 3.47Å; Q29-F141 HydrophobicContact CB-CE1 4Å; Q29-F141 HydrophobicContact CB-CE2 4.47Å; Q29-F141 HydrophobicContact CB-CZ 3.8Å
30	S	97.2	Very high	96.2	Very high	77 Å²	77	59.4 Å²	59.4	54%	0.538	32%	0.317	S	S	.	.	H	α-helix	trans	-63	-49	175.6	-169.5	0	0	0	0	112.1	A26 K27 L28 N32 A33 S34	A26-S30 WeakPolarHBondContact O-CB 3.37Å; A26-S30 PolarHBondContact O-N 2.82Å; K27-S30 PolarHBondContact O-N 3.32Å; L28-S30 VanDerWaalsContact C-N 3.34Å; S30-N32 VanDerWaalsContact C-N 3.34Å; S30-N32 PolarHBondContact O-N 3.49Å; S30-A33 WeakPolarHBondContact O-CB 3.45Å; S30-A33 PolarHBondContact O-N 3.39Å; S30-A33 VanDerWaalsContact O-N 3.13Å; S30-S34 PolarHBondContact O-N 2.89Å; S30-S34 PolarHBondContact O-OG 2.74Å
31	K	96.3	Very high	96.3	Very high	65 Å²	65	61.1 Å²	61.1	28%	0.283	33%	0.327	S	S	.	.	H	α-helix	trans	-51.6	-51.6	174	178.5	-169	-174.8	-71.4	0	111.5	K27 L28 A33 S34 E35 D252 Y256	K27-K31 PolarHBondContact O-N 2.92Å; L28-K31 PolarHBondContact O-N 3.49Å; K31-A33 VanDerWaalsContact C-N 3.31Å; K31-A33 PolarHBondContact O-N 2.8Å; K31-S34 PolarHBondContact O-OG 2.72Å; K31-E35 WeakPolarHBondContact CE-OE1 3.46Å; K31-E35 IonicContact NZ-OE1 3.64Å; K31-E35 PolarHBondContact NZ-OE1 3.34Å; K31-E35 IonicContact NZ-OE2 3.61Å; K31-E35 PolarHBondContact NZ-OE2 3.01Å; K31-E35 WeakPolarHBondContact O-CB 3.43Å; K31-E35 WeakPolarHBondContact O-CG 3.38Å; K31-E35 PolarHBondContact O-N 3.44Å; K31-E35 VanDerWaalsContact O-N 3.1Å; K31-D252 VanDerWaalsContact NZ-CG 3.27Å; K31-D252 IonicContact NZ-OD1 2.83Å; K31-D252 PolarHBondContact NZ-OD1 3.39Å; K31-D252 IonicContact NZ-OD2 3.19Å; K31-D252 PolarHBondContact NZ-OD2 2.76Å; K31-Y256 PolarHBondContact NZ-OH 3.1Å
32	N	95.5	Very high	96.3	Very high	4 Å²	4	61.5 Å²	61.5	2%	0.021	33%	0.33	C	S	.	.	H	α-helix	trans	-67.7	-32.4	-177.6	179.1	41.1	0	0	0	112.6	L28 Q29 S30 T36 R133 N137 L251	L28-N32 PolarHBondContact O-N 2.78Å; L28-N32 VanDerWaalsContact O-N 3.14Å; Q29-N32 PolarHBondContact O-N 2.97Å; S30-N32 VanDerWaalsContact C-N 3.34Å; S30-N32 PolarHBondContact O-N 3.49Å; N32-T36 VanDerWaalsContact O-CB 3.22Å; N32-T36 WeakPolarHBondContact O-CB 3.4Å; N32-T36 PolarHBondContact O-N 3.22Å; N32-T36 VanDerWaalsContact O-N 3.09Å; N32-T36 PolarHBondContact O-OG1 3.22Å; N32-T36 PolarHBondContact OD1-OG1 3.2Å; N32-R133 PolarHBondContact OD1-NE 2.96Å; N32-R133 PolarHBondContact OD1-NH2 2.83Å; N32-N137 WeakPolarHBondContact ND2-CB 3.39Å; N32-N137 PolarHBondContact ND2-OD1 2.89Å; N32-L251 HydrophobicContact CB-CD1 4.31Å; N32-L251 HydrophobicContact CB-CD2 3.77Å; N32-L251 HydrophobicContact CB-CG 4.01Å
33	A	96.1	Very high	96.4	Very high	57 Å²	57	58.2 Å²	58.2	47%	0.471	31%	0.309	S	S	.	.	H	α-helix	trans	-63.6	-54.9	175.4	0	0	0	0	0	111.3	Q29 S30 K31 E35 T36 E37	Q29-A33 WeakPolarHBondContact O-CB 3.33Å; Q29-A33 PolarHBondContact O-N 3.06Å; S30-A33 WeakPolarHBondContact O-CB 3.45Å; S30-A33 PolarHBondContact O-N 3.39Å; S30-A33 VanDerWaalsContact O-N 3.13Å; K31-A33 VanDerWaalsContact C-N 3.31Å; K31-A33 PolarHBondContact O-N 2.8Å; A33-E35 VanDerWaalsContact C-N 3.35Å; A33-E35 PolarHBondContact O-N 3.46Å; A33-T36 CarbonylContact O-C 3.46Å; A33-T36 PolarHBondContact O-N 3.47Å; A33-E37 PolarHBondContact O-N 2.91Å
34	S	96.6	Very high	96.4	Very high	64 Å²	64	57.3 Å²	57.3	45%	0.448	31%	0.305	S	S	.	.	H	α-helix	trans	-65.3	-34.6	-177.7	58	0	0	0	0	113.3	S30 K31 T36 E37 L38	S30-S34 PolarHBondContact O-N 2.89Å; S30-S34 PolarHBondContact O-OG 2.74Å; K31-S34 PolarHBondContact O-OG 2.72Å; S34-T36 VanDerWaalsContact C-N 3.34Å; S34-E37 WeakPolarHBondContact O-CB 3.13Å; S34-E37 PolarHBondContact O-N 2.73Å; S34-L38 WeakPolarHBondContact O-CB 3.45Å; S34-L38 PolarHBondContact O-N 3.01Å
35	E	96.3	Very high	96.6	Very high	29 Å²	29	61 Å²	61	14%	0.136	32%	0.318	C	S	.	.	H	α-helix	trans	-69	-30.6	172.5	-73.8	176.3	165.2	0	0	113.3	K31 A33 L39 R133 L255 Y256	K31-E35 WeakPolarHBondContact CE-OE1 3.46Å; K31-E35 IonicContact NZ-OE1 3.64Å; K31-E35 PolarHBondContact NZ-OE1 3.34Å; K31-E35 IonicContact NZ-OE2 3.61Å; K31-E35 PolarHBondContact NZ-OE2 3.01Å; K31-E35 WeakPolarHBondContact O-CB 3.43Å; K31-E35 WeakPolarHBondContact O-CG 3.38Å; K31-E35 PolarHBondContact O-N 3.44Å; K31-E35 VanDerWaalsContact O-N 3.1Å; A33-E35 VanDerWaalsContact C-N 3.35Å; A33-E35 PolarHBondContact O-N 3.46Å; E35-L39 WeakPolarHBondContact O-CB 3.05Å; E35-L39 PolarHBondContact O-N 2.83Å; E35-L39 VanDerWaalsContact O-N 3.16Å; E35-R133 VanDerWaalsContact CB-NH2 3.27Å; E35-R133 IonicContact OE2-CZ 3.65Å; E35-R133 IonicContact OE2-NH1 3.8Å; E35-R133 IonicContact OE2-NH2 2.68Å; E35-R133 PolarHBondContact OE2-NH2 3.14Å; E35-L255 HydrophobicContact CB-CD2 3.9Å; E35-L255 HydrophobicContact CG-CD2 4.39Å; E35-Y256 PolarHBondContact OE1-OH 2.92Å
36	T	95.5	Very high	96.6	Very high	12 Å²	12	58 Å²	58	7%	0.074	31%	0.307	C	S	.	.	H	α-helix	trans	-81.8	-19.8	176.5	-55.3	0	0	0	0	112	N32 A33 S34 D40 K130 R133	N32-T36 VanDerWaalsContact O-CB 3.22Å; N32-T36 WeakPolarHBondContact O-CB 3.4Å; N32-T36 PolarHBondContact O-N 3.22Å; N32-T36 VanDerWaalsContact O-N 3.09Å; N32-T36 PolarHBondContact O-OG1 3.22Å; N32-T36 PolarHBondContact OD1-OG1 3.2Å; A33-T36 CarbonylContact O-C 3.46Å; A33-T36 PolarHBondContact O-N 3.47Å; S34-T36 VanDerWaalsContact C-N 3.34Å; T36-D40 PolarHBondContact O-N 2.96Å; T36-K130 HydrophobicContact CG2-CG 3.92Å; T36-R133 PolarHBondContact OG1-NE 3.04Å
37	E	96.3	Very high	96.6	Very high	129 Å²	129	60.8 Å²	60.8	60%	0.603	31%	0.308	S	S	*	.	H	α-helix	trans	-75.9	-50.6	168.9	-172.5	165.1	-143.6	0	0	110.6	A33 S34 L39 D40 D41	A33-E37 PolarHBondContact O-N 2.91Å; S34-E37 WeakPolarHBondContact O-CB 3.13Å; S34-E37 PolarHBondContact O-N 2.73Å; E37-L39 PolarHBondContact O-N 3.42Å; E37-D40 CarbonylContact O-C 3.57Å; E37-D40 VanDerWaalsContact O-CA 3.32Å; E37-D40 WeakPolarHBondContact O-CA 3.28Å; E37-D40 WeakPolarHBondContact O-CB 3.47Å; E37-D40 PolarHBondContact O-N 3.32Å; E37-D41 PolarHBondContact O-N 2.66Å
38	L	95.9	Very high	96.7	Very high	88 Å²	88	60.4 Å²	60.4	46%	0.461	31%	0.309	S	S	.	.	H	α-helix	trans	-54.2	-38.7	172.4	177.6	63	0	0	0	113	S34 D40 D41 L42	S34-L38 WeakPolarHBondContact O-CB 3.45Å; S34-L38 PolarHBondContact O-N 3.01Å; L38-D40 VanDerWaalsContact C-N 3.29Å; L38-D40 PolarHBondContact O-N 2.89Å; L38-D41 PolarHBondContact O-N 2.71Å; L38-L42 WeakPolarHBondContact O-CB 3.24Å; L38-L42 PolarHBondContact O-N 2.85Å
39	L	96.4	Very high	96.7	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-64.6	-31.5	173.1	174.9	61.8	0	0	0	112.9	E35 E37 R43 L126 L129 K130 L255	E35-L39 WeakPolarHBondContact O-CB 3.05Å; E35-L39 PolarHBondContact O-N 2.83Å; E35-L39 VanDerWaalsContact O-N 3.16Å; E37-L39 PolarHBondContact O-N 3.42Å; L39-R43 WeakPolarHBondContact O-CB 3.29Å; L39-R43 PolarHBondContact O-N 3.48Å; L39-L126 HydrophobicContact CD1-CB 4.16Å; L39-L126 HydrophobicContact CD1-CD2 3.74Å; L39-L126 HydrophobicContact CD1-CG 4.36Å; L39-L129 HydrophobicContact CD1-CD2 3.98Å; L39-L129 HydrophobicContact CD1-CG 4.47Å; L39-L129 HydrophobicContact CD2-CB 4.38Å; L39-L129 HydrophobicContact CD2-CD2 4.34Å; L39-L129 HydrophobicContact CD2-CG 4.04Å; L39-K130 HydrophobicContact CD2-CB 4.03Å; L39-K130 HydrophobicContact CD2-CG 4.46Å; L39-L255 HydrophobicContact CB-CD1 4.39Å; L39-L255 HydrophobicContact CD1-CD1 4.2Å; L39-L255 HydrophobicContact CD2-CD1 4.18Å; L39-L255 HydrophobicContact CG-CD1 4.49Å
40	D	95.4	Very high	96.8	Very high	43 Å²	43	58.3 Å²	58.3	23%	0.23	30%	0.295	C	S	.	.	H	α-helix	trans	-74.4	-43.8	175.2	-139.6	42.7	0	0	0	111	T36 E37 L38 R43 M44 K130	T36-D40 PolarHBondContact O-N 2.96Å; E37-D40 CarbonylContact O-C 3.57Å; E37-D40 VanDerWaalsContact O-CA 3.32Å; E37-D40 WeakPolarHBondContact O-CA 3.28Å; E37-D40 WeakPolarHBondContact O-CB 3.47Å; E37-D40 PolarHBondContact O-N 3.32Å; L38-D40 VanDerWaalsContact C-N 3.29Å; L38-D40 PolarHBondContact O-N 2.89Å; D40-R43 PolarHBondContact O-N 2.79Å; D40-R43 IonicContact OD1-CZ 2.57Å; D40-R43 IonicContact OD1-NH1 2.59Å; D40-R43 PolarHBondContact OD1-NH1 3.45Å; D40-R43 IonicContact OD1-NH2 3.06Å; D40-R43 PolarHBondContact OD1-NH2 2.94Å; D40-R43 IonicContact OD2-NH2 3.74Å; D40-M44 WeakPolarHBondContact O-CB 3.39Å; D40-M44 VanDerWaalsContact O-CG 3.3Å; D40-M44 WeakPolarHBondContact O-CG 3.19Å; D40-M44 PolarHBondContact O-N 3.33Å; D40-K130 VanDerWaalsContact OD1-CD 3.24Å; D40-K130 WeakPolarHBondContact OD1-CD 3.22Å; D40-K130 VanDerWaalsContact OD1-CE 3.32Å; D40-K130 WeakPolarHBondContact OD1-CE 3.34Å; D40-K130 IonicContact OD1-NZ 2.75Å; D40-K130 PolarHBondContact OD1-NZ 3.06Å; D40-K130 IonicContact OD2-NZ 3.71Å; D40-K130 PolarHBondContact OD2-NZ 3.26Å
41	D	97.1	Very high	96.9	Very high	99 Å²	99	57.2 Å²	57.2	53%	0.529	29%	0.287	S	S	.	.	H	α-helix	trans	-62	-48.6	177.5	-70.7	-25.6	0	0	0	111.6	E37 L38 R43 M44 Y45	E37-D41 PolarHBondContact O-N 2.66Å; L38-D41 PolarHBondContact O-N 2.71Å; D41-R43 VanDerWaalsContact C-N 3.29Å; D41-R43 PolarHBondContact O-N 3.28Å; D41-M44 CarbonylContact O-C 3.55Å; D41-M44 PolarHBondContact O-N 2.96Å; D41-M44 VanDerWaalsContact O-N 3.07Å; D41-Y45 WeakPolarHBondContact O-CB 3.41Å; D41-Y45 PolarHBondContact O-N 3.43Å
42	L	97	Very high	97	Very high	16 Å²	16	59 Å²	59	8%	0.084	30%	0.299	C	S	.	.	H	α-helix	trans	-59.9	-40.9	176.3	-178.1	60.1	0	0	0	111.4	L38 M44 Y45 C46 L126 L259 V262 F263 L266	L38-L42 WeakPolarHBondContact O-CB 3.24Å; L38-L42 PolarHBondContact O-N 2.85Å; L42-M44 VanDerWaalsContact C-N 3.32Å; L42-M44 PolarHBondContact O-N 3.07Å; L42-Y45 HydrophobicContact CD1-CD1 4.47Å; L42-Y45 PolarHBondContact O-N 2.81Å; L42-C46 PolarHBondContact O-N 2.94Å; L42-C46 PolarHBondContact O-SG 2.9Å; L42-L126 HydrophobicContact CB-CD1 4.33Å; L42-L126 HydrophobicContact CD2-CD1 3.93Å; L42-L126 HydrophobicContact CG-CD1 3.84Å; L42-L259 HydrophobicContact CD2-CD2 3.5Å; L42-L259 VanDerWaalsContact CD2-CD2 3.5Å; L42-V262 HydrophobicContact CD1-CG1 4.48Å; L42-V262 HydrophobicContact CD2-CB 4.46Å; L42-V262 HydrophobicContact CD2-CG1 3.91Å; L42-V262 HydrophobicContact CG-CG1 4.34Å; L42-F263 HydrophobicContact CD1-CE1 3.86Å; L42-F263 HydrophobicContact CD2-CE1 3.96Å; L42-F263 HydrophobicContact CD2-CZ 4.03Å; L42-L266 HydrophobicContact CD1-CD1 4.48Å
43	R	96.8	Very high	97.1	Very high	41 Å²	41	59.4 Å²	59.4	16%	0.155	30%	0.301	C	S	.	.	H	α-helix	trans	-63.4	-39.3	175.4	-166.5	-163.2	63.6	-112.1	-14.6	111.9	L39 D40 D41 K47 S123 L126	L39-R43 WeakPolarHBondContact O-CB 3.29Å; L39-R43 PolarHBondContact O-N 3.48Å; D40-R43 PolarHBondContact O-N 2.79Å; D40-R43 IonicContact OD1-CZ 2.57Å; D40-R43 IonicContact OD1-NH1 2.59Å; D40-R43 PolarHBondContact OD1-NH1 3.45Å; D40-R43 IonicContact OD1-NH2 3.06Å; D40-R43 PolarHBondContact OD1-NH2 2.94Å; D40-R43 IonicContact OD2-NH2 3.74Å; D41-R43 VanDerWaalsContact C-N 3.29Å; D41-R43 PolarHBondContact O-N 3.28Å; R43-K47 PolarHBondContact O-N 3.44Å; R43-K47 VanDerWaalsContact O-N 3.16Å; R43-S123 VanDerWaalsContact CD-O 3.25Å; R43-S123 WeakPolarHBondContact CD-O 3.38Å; R43-S123 WeakPolarHBondContact CG-O 3.41Å; R43-S123 WeakPolarHBondContact CG-OG 3.44Å; R43-S123 PolarHBondContact O-OG 2.87Å; R43-L126 HydrophobicContact CB-CB 4.17Å; R43-L126 HydrophobicContact CB-CD1 4.32Å; R43-L126 HydrophobicContact CG-CB 4.1Å
44	M	97.3	Very high	97.2	Very high	72 Å²	72	59.8 Å²	59.8	36%	0.355	29%	0.29	S	S	.	.	H	α-helix	trans	-70.8	-40.5	178	-73.4	-59.1	-61.8	0	0	112.1	D40 D41 L42 K47 Q48	D40-M44 WeakPolarHBondContact O-CB 3.39Å; D40-M44 VanDerWaalsContact O-CG 3.3Å; D40-M44 WeakPolarHBondContact O-CG 3.19Å; D40-M44 PolarHBondContact O-N 3.33Å; D41-M44 CarbonylContact O-C 3.55Å; D41-M44 PolarHBondContact O-N 2.96Å; D41-M44 VanDerWaalsContact O-N 3.07Å; L42-M44 VanDerWaalsContact C-N 3.32Å; L42-M44 PolarHBondContact O-N 3.07Å; M44-K47 WeakPolarHBondContact O-CB 3.39Å; M44-K47 PolarHBondContact O-N 3.44Å; M44-Q48 WeakPolarHBondContact O-CB 3.38Å; M44-Q48 WeakPolarHBondContact O-CG 3.43Å; M44-Q48 PolarHBondContact O-N 2.9Å
45	Y	97.8	Very high	97.3	Very high	119 Å²	119	61.9 Å²	61.9	47%	0.467	29%	0.293	S	S	.	.	H	α-helix	trans	-56.3	-53.9	171.8	173.3	-93	0	0	0	111.1	D41 L42 K47 Q48 R49	D41-Y45 WeakPolarHBondContact O-CB 3.41Å; D41-Y45 PolarHBondContact O-N 3.43Å; L42-Y45 HydrophobicContact CD1-CD1 4.47Å; L42-Y45 PolarHBondContact O-N 2.81Å; Y45-K47 PolarHBondContact O-N 3.11Å; Y45-Q48 PolarHBondContact O-N 3.03Å; Y45-Q48 VanDerWaalsContact O-N 3.1Å; Y45-R49 WeakPolarHBondContact O-CB 3.35Å; Y45-R49 PolarHBondContact O-N 3.42Å
46	C	97.8	Very high	97.4	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-57.7	-36.4	177.3	-65.4	0	0	0	0	112.2	L42 A50	L42-C46 PolarHBondContact O-N 2.94Å; L42-C46 PolarHBondContact O-SG 2.9Å; C46-A50 WeakPolarHBondContact O-CB 3.31Å; C46-A50 PolarHBondContact O-N 3.2Å; C46-A50 VanDerWaalsContact O-N 3.09Å
47	K	97.8	Very high	97.5	Very high	113 Å²	113	65.6 Å²	65.6	49%	0.491	31%	0.305	S	S	.	.	H	α-helix	trans	-69.3	-42	176.1	-166.7	-169.2	173.3	-165.1	0	112.7	R43 M44 Y45 S51	R43-K47 PolarHBondContact O-N 3.44Å; R43-K47 VanDerWaalsContact O-N 3.16Å; M44-K47 WeakPolarHBondContact O-CB 3.39Å; M44-K47 PolarHBondContact O-N 3.44Å; Y45-K47 PolarHBondContact O-N 3.11Å; K47-S51 PolarHBondContact O-N 3.22Å
48	Q	98.4	Very high	97.6	Very high	123 Å²	123	63.6 Å²	63.6	58%	0.575	30%	0.296	S	S	*	.	H	α-helix	trans	-71.4	-47.2	-178.6	-76.6	175.8	-26.2	0	0	111.4	M44 Y45 A50 S51 I52	M44-Q48 WeakPolarHBondContact O-CB 3.38Å; M44-Q48 WeakPolarHBondContact O-CG 3.43Å; M44-Q48 PolarHBondContact O-N 2.9Å; Y45-Q48 PolarHBondContact O-N 3.03Å; Y45-Q48 VanDerWaalsContact O-N 3.1Å; Q48-A50 VanDerWaalsContact C-N 3.28Å; Q48-A50 PolarHBondContact O-N 3.5Å; Q48-S51 WeakPolarHBondContact O-CB 3.41Å; Q48-S51 PolarHBondContact O-N 3.39Å; Q48-I52 PolarHBondContact O-N 3.35Å
49	R	97.6	Very high	97.7	Very high	73 Å²	73	62.7 Å²	62.7	28%	0.275	30%	0.297	S	S	.	.	H	α-helix	trans	-57.5	-43.3	173.5	-168.3	74.9	-168.2	-109.6	-11.3	110.2	Y45 S51 I52 E53 E270	Y45-R49 WeakPolarHBondContact O-CB 3.35Å; Y45-R49 PolarHBondContact O-N 3.42Å; R49-S51 VanDerWaalsContact C-N 3.28Å; R49-S51 PolarHBondContact O-N 3.35Å; R49-I52 PolarHBondContact O-N 3.39Å; R49-I52 VanDerWaalsContact O-N 3.09Å; R49-E53 HydrophobicContact CG-CG 4.25Å; R49-E53 IonicContact CZ-OE1 3.31Å; R49-E53 IonicContact NE-OE1 2.82Å; R49-E53 PolarHBondContact NE-OE1 2.82Å; R49-E53 IonicContact NH2-OE1 3.55Å; R49-E53 PolarHBondContact NH2-OE1 2.77Å; R49-E53 WeakPolarHBondContact O-CG 3.39Å; R49-E53 PolarHBondContact O-N 2.81Å; R49-E270 IonicContact NH2-OE1 2.61Å; R49-E270 PolarHBondContact NH2-OE1 3.2Å
50	A	98.2	Very high	97.8	Very high	0 Å²	0	64 Å²	64	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-59.1	-33.1	174.7	0	0	0	0	0	114	C46 Q48 R54 S116 Q119 Q120	C46-A50 WeakPolarHBondContact O-CB 3.31Å; C46-A50 PolarHBondContact O-N 3.2Å; C46-A50 VanDerWaalsContact O-N 3.09Å; Q48-A50 VanDerWaalsContact C-N 3.28Å; Q48-A50 PolarHBondContact O-N 3.5Å; A50-R54 WeakPolarHBondContact O-CB 3.28Å; A50-R54 PolarHBondContact O-N 3.07Å; A50-R54 PolarHBondContact O-NH1 2.76Å; A50-R54 VanDerWaalsContact O-NH1 3.13Å; A50-S116 WeakPolarHBondContact CB-O 3.44Å; A50-S116 PolarHBondContact O-OG 3.24Å; A50-Q119 HydrophobicContact CB-CB 3.92Å; A50-Q119 VanDerWaalsContact N-OE1 3.08Å; A50-Q120 HydrophobicContact CB-CB 4.07Å
51	S	98.4	Very high	97.9	Very high	54 Å²	54	64.4 Å²	64.4	38%	0.378	30%	0.304	S	S	.	.	H	α-helix	trans	-65.7	-50.8	173.3	-149	0	0	0	0	110.6	K47 Q48 R49 E53 R54 E55	K47-S51 PolarHBondContact O-N 3.22Å; Q48-S51 WeakPolarHBondContact O-CB 3.41Å; Q48-S51 PolarHBondContact O-N 3.39Å; R49-S51 VanDerWaalsContact C-N 3.28Å; R49-S51 PolarHBondContact O-N 3.35Å; S51-E53 PolarHBondContact O-N 3.1Å; S51-R54 WeakPolarHBondContact O-CB 3.28Å; S51-R54 PolarHBondContact O-N 3.06Å; S51-R54 VanDerWaalsContact O-N 3.08Å; S51-E55 WeakPolarHBondContact CB-OE1 3.29Å; S51-E55 WeakPolarHBondContact O-CG 3.28Å; S51-E55 PolarHBondContact O-N 3.44Å; S51-E55 PolarHBondContact OG-OE1 3.1Å
52	I	98.4	Very high	97.9	Very high	103 Å²	103	66.3 Å²	66.3	53%	0.528	31%	0.308	S	S	.	.	H	α-helix	trans	-59	-48.4	-178.4	-62.1	165	0	0	0	111.2	Q48 R49 R54 E55 Y56	Q48-I52 PolarHBondContact O-N 3.35Å; R49-I52 PolarHBondContact O-N 3.39Å; R49-I52 VanDerWaalsContact O-N 3.09Å; I52-R54 VanDerWaalsContact C-N 3.28Å; I52-R54 PolarHBondContact O-N 2.97Å; I52-E55 PolarHBondContact O-N 2.83Å; I52-Y56 WeakPolarHBondContact O-CB 3.49Å; I52-Y56 PolarHBondContact O-N 3.35Å
53	E	97.3	Very high	97.9	Very high	13 Å²	13	70.6 Å²	70.6	6%	0.061	33%	0.33	C	S	.	.	H	α-helix	trans	-60.6	-36.4	176.9	-65.4	-56	154.2	0	0	112.2	R49 S51 G57 H112	R49-E53 HydrophobicContact CG-CG 4.25Å; R49-E53 IonicContact CZ-OE1 3.31Å; R49-E53 IonicContact NE-OE1 2.82Å; R49-E53 PolarHBondContact NE-OE1 2.82Å; R49-E53 IonicContact NH2-OE1 3.55Å; R49-E53 PolarHBondContact NH2-OE1 2.77Å; R49-E53 WeakPolarHBondContact O-CG 3.39Å; R49-E53 PolarHBondContact O-N 2.81Å; S51-E53 PolarHBondContact O-N 3.1Å; E53-G57 PolarHBondContact O-N 3.35Å; E53-H112 IonicContact OE2-CE1 2.64Å; E53-H112 IonicContact OE2-CG 3.71Å; E53-H112 IonicContact OE2-ND1 2.66Å; E53-H112 PolarHBondContact OE2-ND1 2.81Å
54	R	98.3	Very high	97.9	Very high	65 Å²	65	68.8 Å²	68.8	25%	0.245	32%	0.324	C	S	.	.	H	α-helix	trans	-71.4	-42.5	177.8	-165.2	170	-72.5	96.2	1	111.7	A50 S51 I52 Q58 L113 S116 D117	A50-R54 WeakPolarHBondContact O-CB 3.28Å; A50-R54 PolarHBondContact O-N 3.07Å; A50-R54 PolarHBondContact O-NH1 2.76Å; A50-R54 VanDerWaalsContact O-NH1 3.13Å; S51-R54 WeakPolarHBondContact O-CB 3.28Å; S51-R54 PolarHBondContact O-N 3.06Å; S51-R54 VanDerWaalsContact O-N 3.08Å; I52-R54 VanDerWaalsContact C-N 3.28Å; I52-R54 PolarHBondContact O-N 2.97Å; R54-Q58 HydrophobicContact CG-CG 4.45Å; R54-Q58 VanDerWaalsContact O-CB 3.28Å; R54-Q58 WeakPolarHBondContact O-CB 3.5Å; R54-Q58 VanDerWaalsContact O-CG 3.23Å; R54-Q58 WeakPolarHBondContact O-CG 3.46Å; R54-Q58 PolarHBondContact O-N 3.48Å; R54-L113 HydrophobicContact CG-CD2 4.06Å; R54-S116 WeakPolarHBondContact CB-OG 3.47Å; R54-S116 PolarHBondContact NH1-OG 3.49Å; R54-S116 PolarHBondContact NH2-OG 3.06Å; R54-D117 IonicContact CZ-OD1 2.91Å; R54-D117 IonicContact NE-OD1 3.39Å; R54-D117 IonicContact NH2-OD1 2.7Å; R54-D117 PolarHBondContact NH2-OD1 2.76Å
55	E	98.4	Very high	97.7	Very high	108 Å²	108	68.8 Å²	68.8	51%	0.505	33%	0.325	S	S	.	.	H	α-helix	trans	-66.3	-41.2	179	-71.8	162.6	-129.6	0	0	111.1	S51 I52 S59	S51-E55 WeakPolarHBondContact CB-OE1 3.29Å; S51-E55 WeakPolarHBondContact O-CG 3.28Å; S51-E55 PolarHBondContact O-N 3.44Å; S51-E55 PolarHBondContact OG-OE1 3.1Å; I52-E55 PolarHBondContact O-N 2.83Å; E55-S59 VanDerWaalsContact O-CB 3.28Å; E55-S59 WeakPolarHBondContact O-CB 3.37Å; E55-S59 PolarHBondContact O-N 3.27Å; E55-S59 VanDerWaalsContact O-N 3.08Å; E55-S59 PolarHBondContact O-OG 2.66Å
56	Y	98.4	Very high	97.5	Very high	118 Å²	118	65 Å²	65	46%	0.463	32%	0.322	S	S	.	.	H	α-helix	trans	-63.9	-54.2	172.2	-176.3	-90.5	0	0	0	111.8	I52 Q58 S59 L60 H112	I52-Y56 WeakPolarHBondContact O-CB 3.49Å; I52-Y56 PolarHBondContact O-N 3.35Å; Y56-Q58 VanDerWaalsContact C-N 3.34Å; Y56-Q58 PolarHBondContact O-N 2.97Å; Y56-S59 PolarHBondContact O-N 3.11Å; Y56-L60 HydrophobicContact CE1-CB 4.47Å; Y56-L60 HydrophobicContact CE1-CD2 3.99Å; Y56-L60 PolarHBondContact O-N 3.04Å; Y56-H112 HydrophobicContact CD1-CB 4.33Å; Y56-H112 AromaticContact CD1-CD2 3.55Å; Y56-H112 AromaticContact CD1-CE1 3.73Å; Y56-H112 AromaticContact CD1-CG 3.67Å; Y56-H112 AromaticContact CD1-ND1 3.78Å; Y56-H112 AromaticContact CD1-NE2 3.6Å; Y56-H112 AromaticContact CE1-CD2 3.48Å; Y56-H112 VanDerWaalsContact CE1-CD2 3.48Å; Y56-H112 WeakPolarHBondContact CE1-CD2 3.49Å; Y56-H112 AromaticContact CE1-CE1 3.75Å; Y56-H112 AromaticContact CE1-NE2 3.25Å; Y56-H112 WeakPolarHBondContact CE1-NE2 3.28Å
57	G	98.1	Very high	97.3	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-58.1	-42.4	-179.8	0	0	0	0	0	113.1	E53 S59 Q61	E53-G57 PolarHBondContact O-N 3.35Å; G57-S59 VanDerWaalsContact C-N 3.35Å; G57-S59 PolarHBondContact O-N 3.21Å; G57-Q61 VanDerWaalsContact O-CB 3.24Å; G57-Q61 WeakPolarHBondContact O-CB 3.44Å; G57-Q61 PolarHBondContact O-N 3.25Å
58	Q	98.4	Very high	96.9	Very high	88 Å²	88	65.1 Å²	65.1	41%	0.411	33%	0.325	S	S	.	.	H	α-helix	trans	-65.9	-34.7	174.2	-74.3	-177.7	9	0	0	113	R54 Y56 K62 L113	R54-Q58 HydrophobicContact CG-CG 4.45Å; R54-Q58 VanDerWaalsContact O-CB 3.28Å; R54-Q58 WeakPolarHBondContact O-CB 3.5Å; R54-Q58 VanDerWaalsContact O-CG 3.23Å; R54-Q58 WeakPolarHBondContact O-CG 3.46Å; R54-Q58 PolarHBondContact O-N 3.48Å; Y56-Q58 VanDerWaalsContact C-N 3.34Å; Y56-Q58 PolarHBondContact O-N 2.97Å; Q58-K62 WeakPolarHBondContact O-CD 3.41Å; Q58-K62 WeakPolarHBondContact O-CG 3.46Å; Q58-K62 PolarHBondContact O-N 3.46Å; Q58-L113 HydrophobicContact CG-CD2 4.07Å
59	S	98.5	Very high	96.3	Very high	69 Å²	69	63.6 Å²	63.6	48%	0.483	33%	0.327	S	S	.	.	H	α-helix	trans	-74.5	-43.6	-178.9	-59.8	0	0	0	0	111.7	E55 Y56 G57 K62 L63	E55-S59 VanDerWaalsContact O-CB 3.28Å; E55-S59 WeakPolarHBondContact O-CB 3.37Å; E55-S59 PolarHBondContact O-N 3.27Å; E55-S59 VanDerWaalsContact O-N 3.08Å; E55-S59 PolarHBondContact O-OG 2.66Å; Y56-S59 PolarHBondContact O-N 3.11Å; G57-S59 VanDerWaalsContact C-N 3.35Å; G57-S59 PolarHBondContact O-N 3.21Å; S59-K62 PolarHBondContact O-N 2.99Å; S59-L63 PolarHBondContact O-N 2.92Å
60	L	98.2	Very high	95.8	Very high	27 Å²	27	65 Å²	65	14%	0.141	34%	0.336	C	S	.	.	H	α-helix	trans	-63.1	-41.2	173.1	-176.1	59.9	0	0	0	111.4	Y56 K62 L63 V64 L108 A109	Y56-L60 HydrophobicContact CE1-CB 4.47Å; Y56-L60 HydrophobicContact CE1-CD2 3.99Å; Y56-L60 PolarHBondContact O-N 3.04Å; L60-K62 PolarHBondContact O-N 3.31Å; L60-L63 HydrophobicContact CD1-CD2 4.36Å; L60-L63 WeakPolarHBondContact O-CB 3.4Å; L60-L63 PolarHBondContact O-N 3.47Å; L60-V64 HydrophobicContact CD1-CG2 4.19Å; L60-V64 HydrophobicContact CG-CG2 4.49Å; L60-V64 VanDerWaalsContact O-CG2 3.32Å; L60-V64 WeakPolarHBondContact O-CG2 3.42Å; L60-V64 PolarHBondContact O-N 3.25Å; L60-L108 HydrophobicContact CD2-CB 4.23Å; L60-L108 HydrophobicContact CD2-CD2 3.93Å; L60-L108 HydrophobicContact CD2-CG 3.89Å; L60-A109 HydrophobicContact CB-CB 3.96Å; L60-A109 HydrophobicContact CD2-CB 3.97Å; L60-A109 HydrophobicContact CG-CB 3.9Å
61	Q	96.9	Very high	94.1	Very high	51 Å²	51	73.5 Å²	73.5	24%	0.238	37%	0.372	C	S	.	.	H	α-helix	trans	-63.3	-40.2	175.4	-178.9	162.7	81.3	0	0	112.8	G57 N65 N106 A109	G57-Q61 VanDerWaalsContact O-CB 3.24Å; G57-Q61 WeakPolarHBondContact O-CB 3.44Å; G57-Q61 PolarHBondContact O-N 3.25Å; Q61-N65 WeakPolarHBondContact CG-ND2 3.37Å; Q61-N65 VanDerWaalsContact O-CB 3.25Å; Q61-N65 WeakPolarHBondContact O-CB 3.23Å; Q61-N65 PolarHBondContact O-N 3.47Å; Q61-N65 PolarHBondContact O-ND2 3.3Å; Q61-N106 PolarHBondContact NE2-OD1 3.33Å; Q61-A109 HydrophobicContact CB-CB 3.93Å
62	K	97.5	Very high	92.5	Very high	140 Å²	140	77 Å²	77	61%	0.609	38%	0.383	S	S	*	.	H	α-helix	trans	-61.1	-46.1	174	-74.9	163.1	-170.7	167.7	0	111.6	Q58 S59 L60 G66	Q58-K62 WeakPolarHBondContact O-CD 3.41Å; Q58-K62 WeakPolarHBondContact O-CG 3.46Å; Q58-K62 PolarHBondContact O-N 3.46Å; S59-K62 PolarHBondContact O-N 2.99Å; L60-K62 PolarHBondContact O-N 3.31Å; K62-G66 PolarHBondContact O-N 3.35Å
63	L	97.4	Very high	90.8	Very high	105 Å²	105	72.7 Å²	72.7	55%	0.55	36%	0.361	S	S	.	.	H	α-helix	trans	-56.8	-55.2	177.5	177.5	66.5	0	0	0	110.8	S59 L60 N65 G66 F67	S59-L63 PolarHBondContact O-N 2.92Å; L60-L63 HydrophobicContact CD1-CD2 4.36Å; L60-L63 WeakPolarHBondContact O-CB 3.4Å; L60-L63 PolarHBondContact O-N 3.47Å; L63-N65 PolarHBondContact O-N 2.92Å; L63-G66 PolarHBondContact O-N 3.01Å; L63-G66 VanDerWaalsContact O-N 3.14Å; L63-F67 HydrophobicContact CD1-CE2 3.92Å; L63-F67 HydrophobicContact CG-CE2 4.49Å; L63-F67 WeakPolarHBondContact O-CD2 3.33Å
64	V	96.2	Very high	88.8	Confident	4 Å²	4	76 Å²	76	2%	0.024	38%	0.382	C	S	.	.	H	α-helix	trans	-66.2	-41.6	-174.9	175.4	0	0	0	0	112	L60 G66 F67 L68 L102 N106	L60-V64 HydrophobicContact CD1-CG2 4.19Å; L60-V64 HydrophobicContact CG-CG2 4.49Å; L60-V64 VanDerWaalsContact O-CG2 3.32Å; L60-V64 WeakPolarHBondContact O-CG2 3.42Å; L60-V64 PolarHBondContact O-N 3.25Å; V64-G66 PolarHBondContact O-N 3.43Å; V64-F67 PolarHBondContact O-N 3.33Å; V64-L68 HydrophobicContact CG1-CD1 3.74Å; V64-L68 HydrophobicContact CG1-CG 4.08Å; V64-L68 PolarHBondContact O-N 3.29Å; V64-L102 HydrophobicContact CG1-CB 4.17Å; V64-L102 HydrophobicContact CG1-CD2 4.27Å; V64-L102 WeakPolarHBondContact CG1-O 3.4Å; V64-N106 HydrophobicContact CG1-CB 3.84Å
65	N	93.4	Very high	87	Confident	71 Å²	71	76.5 Å²	76.5	38%	0.38	39%	0.392	S	S	.	.	H	α-helix	trans	-62.8	-27.4	175.6	-73	-17	0	0	0	112.7	Q61 L63 F67 S69	Q61-N65 WeakPolarHBondContact CG-ND2 3.37Å; Q61-N65 VanDerWaalsContact O-CB 3.25Å; Q61-N65 WeakPolarHBondContact O-CB 3.23Å; Q61-N65 PolarHBondContact O-N 3.47Å; Q61-N65 PolarHBondContact O-ND2 3.3Å; L63-N65 PolarHBondContact O-N 2.92Å; N65-F67 PolarHBondContact O-N 3.02Å; N65-S69 WeakPolarHBondContact O-CB 3.43Å; N65-S69 PolarHBondContact O-N 2.8Å; N65-S69 PolarHBondContact O-OG 3.02Å
66	G	94	Very high	85.1	Confident	39 Å²	39	74.6 Å²	74.6	40%	0.402	38%	0.383	S	S	.	.	H	α-helix	trans	-68	-18.8	173.2	0	0	0	0	0	114.6	K62 L63 V64	K62-G66 PolarHBondContact O-N 3.35Å; L63-G66 PolarHBondContact O-N 3.01Å; L63-G66 VanDerWaalsContact O-N 3.14Å; V64-G66 PolarHBondContact O-N 3.43Å
67	F	94	Very high	82.9	Confident	70 Å²	70	71.5 Å²	71.5	31%	0.307	38%	0.379	S	S	.	.	H	α-helix	trans	-99.7	-41.2	172.3	-68.3	-82	0	0	0	112.6	L63 V64 N65 S69 K70 W98 L102	L63-F67 HydrophobicContact CD1-CE2 3.92Å; L63-F67 HydrophobicContact CG-CE2 4.49Å; L63-F67 WeakPolarHBondContact O-CD2 3.33Å; V64-F67 PolarHBondContact O-N 3.33Å; N65-F67 PolarHBondContact O-N 3.02Å; F67-S69 PolarHBondContact O-N 2.97Å; F67-K70 HydrophobicContact CD1-CD 4.41Å; F67-K70 WeakPolarHBondContact O-CB 3.44Å; F67-K70 PolarHBondContact O-N 3.3Å; F67-K70 VanDerWaalsContact O-N 3.1Å; F67-W98 HydrophobicContact CB-CZ2 4.22Å; F67-W98 HydrophobicContact CD1-CH2 4.36Å; F67-W98 AromaticContact CD1-CZ2 3.81Å; F67-W98 HydrophobicContact CD1-CZ2 3.81Å; F67-W98 HydrophobicContact CE1-CZ2 4.4Å; F67-W98 HydrophobicContact CG-CZ2 4.09Å; F67-L102 HydrophobicContact CB-CD1 3.68Å; F67-L102 HydrophobicContact CB-CD2 3.76Å; F67-L102 HydrophobicContact CB-CG 4.41Å; F67-L102 HydrophobicContact CD2-CD2 4.42Å; F67-L102 HydrophobicContact CG-CD2 4.3Å
68	L	89.3	Confident	80.5	Confident	47 Å²	47	74.6 Å²	74.6	25%	0.246	40%	0.401	C	S	.	.	H	α-helix	trans	-61.9	-23	177.8	-71.1	176.7	0	0	0	113.6	V64 L73 Y99 L102	V64-L68 HydrophobicContact CG1-CD1 3.74Å; V64-L68 HydrophobicContact CG1-CG 4.08Å; V64-L68 PolarHBondContact O-N 3.29Å; L68-L73 HydrophobicContact CD2-CD2 4Å; L68-Y99 HydrophobicContact CD2-CD2 4.36Å; L68-Y99 HydrophobicContact CD2-CE2 4.21Å; L68-L102 HydrophobicContact CD2-CB 3.64Å; L68-L102 HydrophobicContact CD2-CD1 3.96Å; L68-L102 HydrophobicContact CD2-CG 4.47Å; L68-L102 HydrophobicContact CG-CB 4.08Å; L68-L102 HydrophobicContact CG-CD1 4.38Å
69	S	86	Confident	78.2	Confident	90 Å²	90	77.6 Å²	77.6	63%	0.629	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	0.1	177.1	53.8	0	0	0	0	114.8	N65 F67	N65-S69 WeakPolarHBondContact O-CB 3.43Å; N65-S69 PolarHBondContact O-N 2.8Å; N65-S69 PolarHBondContact O-OG 3.02Å; F67-S69 PolarHBondContact O-N 2.97Å
70	K	86.4	Confident	75.9	Confident	103 Å²	103	77 Å²	77	45%	0.448	41%	0.405	S	S	.	.			trans	-77	123.3	177.5	-66.4	-173.9	177.6	-172.8	0	111.1	F67 E72 L73	F67-K70 HydrophobicContact CD1-CD 4.41Å; F67-K70 WeakPolarHBondContact O-CB 3.44Å; F67-K70 PolarHBondContact O-N 3.3Å; F67-K70 VanDerWaalsContact O-N 3.1Å; K70-E72 PolarHBondContact O-N 3.46Å; K70-E72 VanDerWaalsContact O-N 3.11Å; K70-L73 WeakPolarHBondContact O-CB 3.38Å; K70-L73 PolarHBondContact O-N 2.7Å; K70-L73 VanDerWaalsContact O-N 3.1Å
71	K	64	Low	73.5	Confident	178 Å²	178	79.4 Å²	79.4	77%	0.774	42%	0.424	S	S	*	.	H	α-helix	trans	-51.7	-36.6	-174.9	-68.3	-175.9	176.4	-177.6	0	114.6	L73 T74 T75	K71-L73 VanDerWaalsContact C-N 3.26Å; K71-L73 PolarHBondContact O-N 2.97Å; K71-T74 WeakPolarHBondContact O-CA 3.48Å; K71-T74 WeakPolarHBondContact O-CB 3.3Å; K71-T74 PolarHBondContact O-N 3.49Å; K71-T74 VanDerWaalsContact O-N 3.08Å; K71-T75 PolarHBondContact O-N 2.78Å; K71-T75 PolarHBondContact O-OG1 3.47Å
72	E	63.4	Low	71.1	Confident	129 Å²	129	85.5 Å²	85.5	60%	0.603	45%	0.453	S	S	*	.	H	α-helix	trans	-54.3	-42.8	179.9	-68.4	153.3	-173.9	0	0	112.2	K70 T74 T75 Q76	K70-E72 PolarHBondContact O-N 3.46Å; K70-E72 VanDerWaalsContact O-N 3.11Å; E72-T74 VanDerWaalsContact C-N 3.34Å; E72-T74 PolarHBondContact O-N 2.82Å; E72-T75 PolarHBondContact O-N 2.85Å; E72-Q76 PolarHBondContact O-N 2.94Å
73	L	62.3	Low	68.6	Low	12 Å²	12	82.5 Å²	82.5	6%	0.063	44%	0.444	C	S	.	.	H	α-helix	trans	-68.2	-35	179.6	-159.5	69.4	0	0	0	111.6	L68 K70 K71 S77 W95 Y99 L102	L68-L73 HydrophobicContact CD2-CD2 4Å; K70-L73 WeakPolarHBondContact O-CB 3.38Å; K70-L73 PolarHBondContact O-N 2.7Å; K70-L73 VanDerWaalsContact O-N 3.1Å; K71-L73 VanDerWaalsContact C-N 3.26Å; K71-L73 PolarHBondContact O-N 2.97Å; L73-S77 WeakPolarHBondContact O-CB 3.3Å; L73-S77 PolarHBondContact O-N 3.29Å; L73-S77 PolarHBondContact O-OG 3.11Å; L73-W95 HydrophobicContact CD1-CE3 4.31Å; L73-Y99 HydrophobicContact CD1-CD2 4.44Å; L73-Y99 HydrophobicContact CD2-CD2 3.86Å; L73-Y99 HydrophobicContact CG-CD2 3.99Å; L73-L102 HydrophobicContact CD2-CD1 3.92Å
74	T	56.8	Low	66	Low	81 Å²	81	82.7 Å²	82.7	50%	0.497	45%	0.445	S	S	.	.	H	α-helix	trans	-68	-40.2	172.9	-39.3	0	0	0	0	111.8	K71 E72 Q76 S77 S78	K71-T74 WeakPolarHBondContact O-CA 3.48Å; K71-T74 WeakPolarHBondContact O-CB 3.3Å; K71-T74 PolarHBondContact O-N 3.49Å; K71-T74 VanDerWaalsContact O-N 3.08Å; E72-T74 VanDerWaalsContact C-N 3.34Å; E72-T74 PolarHBondContact O-N 2.82Å; T74-Q76 PolarHBondContact O-N 3.25Å; T74-S77 WeakPolarHBondContact CA-OG 3.44Å; T74-S77 PolarHBondContact O-OG 3.38Å; T74-S78 PolarHBondContact O-N 3.06Å; T74-S78 PolarHBondContact O-OG 3.1Å
75	T	59	Low	63.6	Low	76 Å²	76	89.2 Å²	89.2	47%	0.466	49%	0.485	S	S	.	.	H	α-helix	trans	-66	-36.5	-178.9	-54.7	0	0	0	0	112.2	K71 E72 S78 Y79	K71-T75 PolarHBondContact O-N 2.78Å; K71-T75 PolarHBondContact O-OG1 3.47Å; E72-T75 PolarHBondContact O-N 2.85Å; T75-S78 PolarHBondContact O-OG 2.96Å; T75-S78 VanDerWaalsContact O-OG 3.04Å; T75-Y79 HydrophobicContact CG2-CE2 4.37Å; T75-Y79 WeakPolarHBondContact O-CD2 3.35Å
76	Q	58.6	Low	61.4	Low	68 Å²	68	92.5 Å²	92.5	32%	0.318	50%	0.501	S	S	.	.	H	α-helix	trans	-81.4	-37	179.4	-70.5	167.5	-16.2	0	0	113	E72 T74 S78 Y79 W95	E72-Q76 PolarHBondContact O-N 2.94Å; T74-Q76 PolarHBondContact O-N 3.25Å; Q76-S78 PolarHBondContact O-N 3.3Å; Q76-Y79 PolarHBondContact O-N 2.79Å; Q76-W95 VanDerWaalsContact NE2-CE2 3.26Å
77	S	51.8	Low	59.1	Low	53 Å²	53	94.3 Å²	94.3	37%	0.371	50%	0.501	S	S	.	.	H	α-helix	trans	-66.2	-24	175.3	47.5	0	0	0	0	113.4	L73 T74 S80	L73-S77 WeakPolarHBondContact O-CB 3.3Å; L73-S77 PolarHBondContact O-N 3.29Å; L73-S77 PolarHBondContact O-OG 3.11Å; T74-S77 WeakPolarHBondContact CA-OG 3.44Å; T74-S77 PolarHBondContact O-OG 3.38Å; S77-S80 WeakPolarHBondContact O-CB 3.45Å; S77-S80 PolarHBondContact O-N 2.9Å
78	S	47.6	Very low	56.7	Low	66 Å²	66	96.4 Å²	96.4	46%	0.462	53%	0.525	S	S	.	.	H	α-helix	trans	-76.1	-27.1	175	35.5	0	0	0	0	114	T74 T75 Q76 S80 S81	T74-S78 PolarHBondContact O-N 3.06Å; T74-S78 PolarHBondContact O-OG 3.1Å; T75-S78 PolarHBondContact O-OG 2.96Å; T75-S78 VanDerWaalsContact O-OG 3.04Å; Q76-S78 PolarHBondContact O-N 3.3Å; S78-S80 VanDerWaalsContact C-N 3.26Å; S78-S80 PolarHBondContact O-N 2.89Å; S78-S81 PolarHBondContact O-N 3.23Å
79	Y	51.5	Low	54.8	Low	150 Å²	150	100.3 Å²	100.3	59%	0.588	55%	0.546	S	S	*	.	H	α-helix	trans	-65.3	-29.3	170.5	-79.6	-74.3	0	0	0	113	T75 Q76 N83	T75-Y79 HydrophobicContact CG2-CE2 4.37Å; T75-Y79 WeakPolarHBondContact O-CD2 3.35Å; Q76-Y79 PolarHBondContact O-N 2.79Å; Y79-N83 PolarHBondContact O-ND2 3.17Å
80	S	50.3	Low	53.4	Low	57 Å²	57	101.9 Å²	101.9	40%	0.399	54%	0.541	S	S	.	.	H	α-helix	trans	-66.3	-50.1	173	-47.4	0	0	0	0	111.3	S77 S78 E82 N83 D84	S77-S80 WeakPolarHBondContact O-CB 3.45Å; S77-S80 PolarHBondContact O-N 2.9Å; S78-S80 VanDerWaalsContact C-N 3.26Å; S78-S80 PolarHBondContact O-N 2.89Å; S80-E82 PolarHBondContact O-N 3.28Å; S80-N83 PolarHBondContact O-N 3.07Å; S80-D84 PolarHBondContact O-N 3.08Å
81	S	46.7	Very low	52.1	Low	77 Å²	77	99.4 Å²	99.4	54%	0.538	53%	0.532	S	S	.	.	H	α-helix	trans	-76.2	-19.5	-157.1	-154.4	0	0	0	0	115.6	S78 N83 D84	S78-S81 PolarHBondContact O-N 3.23Å; S81-N83 PolarHBondContact O-N 3.36Å; S81-D84 VanDerWaalsContact CA-OD2 3.26Å; S81-D84 WeakPolarHBondContact CA-OD2 3.45Å; S81-D84 PolarHBondContact OG-OD2 3.39Å
82	E	47.1	Very low	52.1	Low	179 Å²	179	93.2 Å²	93.2	84%	0.836	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-10.6	169.3	-65.6	-165	147.8	0	0	113.3	S80	S80-E82 PolarHBondContact O-N 3.28Å
83	N	44	Very low	52.7	Low	78 Å²	78	89.5 Å²	89.5	42%	0.417	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	12.6	-176.4	-65.3	-74.5	0	0	0	114.2	Y79 S80 S81 T85 I86 L87	Y79-N83 PolarHBondContact O-ND2 3.17Å; S80-N83 PolarHBondContact O-N 3.07Å; S81-N83 PolarHBondContact O-N 3.36Å; N83-T85 PolarHBondContact O-N 3.23Å; N83-I86 PolarHBondContact O-N 2.79Å; N83-I86 VanDerWaalsContact O-N 3.1Å; N83-L87 HydrophobicContact CB-CD1 4.12Å
84	D	43.3	Very low	53.9	Low	109 Å²	109	93 Å²	93	58%	0.583	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	1.1	-172.8	-85	-25.4	0	0	0	116.1	S80 S81	S80-D84 PolarHBondContact O-N 3.08Å; S81-D84 VanDerWaalsContact CA-OD2 3.26Å; S81-D84 WeakPolarHBondContact CA-OD2 3.45Å; S81-D84 PolarHBondContact OG-OD2 3.39Å
85	T	46.6	Very low	55.2	Low	140 Å²	140	94.7 Å²	94.7	86%	0.859	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-7.7	175.5	38.4	0	0	0	0	115.2	N83	N83-T85 PolarHBondContact O-N 3.23Å
86	I	45.6	Very low	56.3	Low	140 Å²	140	94.4 Å²	94.4	72%	0.718	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.6	-24.6	-176	-58.7	-179.7	0	0	0	112.5	N83 S88	N83-I86 PolarHBondContact O-N 2.79Å; N83-I86 VanDerWaalsContact O-N 3.1Å; I86-S88 VanDerWaalsContact C-N 3.31Å; I86-S88 PolarHBondContact O-N 3.5Å; I86-S88 VanDerWaalsContact O-N 3.1Å
87	L	46.7	Very low	57.9	Low	77 Å²	77	91.9 Å²	91.9	40%	0.403	49%	0.488	S	S	.	.			trans	-88.7	56.8	-178	-65	170	0	0	0	112.5	N83 N89	N83-L87 HydrophobicContact CB-CD1 4.12Å; L87-N89 PolarHBondContact O-N 3.42Å
88	S	43.3	Very low	59.8	Low	115 Å²	115	93.8 Å²	93.8	80%	0.804	49%	0.488	S	S	*	.			trans	-72.8	-4.7	-177	66.1	0	0	0	0	115.4	I86	I86-S88 VanDerWaalsContact C-N 3.31Å; I86-S88 PolarHBondContact O-N 3.5Å; I86-S88 VanDerWaalsContact O-N 3.1Å
89	N	50	Low	61.9	Low	129 Å²	129	95.9 Å²	95.9	69%	0.69	49%	0.486	S	S	*	.	S	Bend	trans	-92.5	126.2	171.2	-74.5	-6.5	0	0	0	109.1	L87 Q91	L87-N89 PolarHBondContact O-N 3.42Å; N89-Q91 PolarHBondContact O-N 2.93Å
90	K	55.2	Low	63.8	Low	122 Å²	122	89.8 Å²	89.8	53%	0.53	47%	0.465	S	S	.	.			trans	-57.5	101.7	168.9	-82.7	-171.4	170.8	-175.2	0	109.8	Y92 E287	K90-Y92 HydrophobicContact CB-CD1 4.4Å; K90-Y92 HydrophobicContact CB-CE1 3.67Å; K90-Y92 HydrophobicContact CB-CE2 4.34Å; K90-Y92 HydrophobicContact CD-CE1 3.93Å; K90-Y92 HydrophobicContact CG-CE1 4.43Å; K90-Y92 WeakPolarHBondContact O-CD2 3.41Å; K90-Y92 WeakPolarHBondContact O-CE2 3.35Å; K90-Y92 PolarHBondContact O-N 2.85Å; K90-E287 IonicContact NZ-OE1 3.66Å; K90-E287 PolarHBondContact NZ-OE1 2.62Å
91	Q	60.4	Low	65.9	Low	52 Å²	52	90 Å²	90	24%	0.243	46%	0.462	C	S	.	.			trans	-81.9	100.7	175.8	-78.5	168.7	-23.9	0	0	109.2	N89 N93 D299	N89-Q91 PolarHBondContact O-N 2.93Å; Q91-N93 PolarHBondContact O-N 2.67Å; Q91-N93 PolarHBondContact O-ND2 3.35Å; Q91-D299 VanDerWaalsContact CD-CG 3.48Å; Q91-D299 VanDerWaalsContact CD-OD2 3.24Å; Q91-D299 VanDerWaalsContact CG-OD2 3.23Å; Q91-D299 WeakPolarHBondContact CG-OD2 3.11Å; Q91-D299 PolarHBondContact NE2-OD1 2.91Å; Q91-D299 PolarHBondContact NE2-OD2 3.41Å
92	Y	64.1	Low	68.2	Low	47 Å²	47	86.8 Å²	86.8	18%	0.184	44%	0.439	C	S	.	.			trans	-72.8	53.6	176.5	-49.6	-63.7	0	0	0	112.1	K90 I97 E287 Q290	K90-Y92 HydrophobicContact CB-CD1 4.4Å; K90-Y92 HydrophobicContact CB-CE1 3.67Å; K90-Y92 HydrophobicContact CB-CE2 4.34Å; K90-Y92 HydrophobicContact CD-CE1 3.93Å; K90-Y92 HydrophobicContact CG-CE1 4.43Å; K90-Y92 WeakPolarHBondContact O-CD2 3.41Å; K90-Y92 WeakPolarHBondContact O-CE2 3.35Å; K90-Y92 PolarHBondContact O-N 2.85Å; Y92-I97 HydrophobicContact CD1-CD1 4.08Å; Y92-E287 HydrophobicContact CD1-CB 3.74Å; Y92-E287 HydrophobicContact CD1-CG 4.14Å; Y92-E287 HydrophobicContact CE1-CB 3.68Å; Y92-E287 HydrophobicContact CE1-CG 3.54Å; Y92-Q290 HydrophobicContact CD2-CB 3.34Å; Y92-Q290 HydrophobicContact CD2-CG 4.29Å; Y92-Q290 HydrophobicContact CE2-CB 3.77Å; Y92-Q290 VanDerWaalsContact CE2-CD 3.45Å; Y92-Q290 HydrophobicContact CE2-CG 4.23Å; Y92-Q290 HydrophobicContact CG-CB 3.89Å
93	N	75.6	Confident	70.3	Confident	51 Å²	51	79.6 Å²	79.6	27%	0.273	41%	0.41	S	S	.	.			trans	-71.7	150	168.1	69.7	65.5	0	0	0	109.5	Q91 W95 H96 I97	Q91-N93 PolarHBondContact O-N 2.67Å; Q91-N93 PolarHBondContact O-ND2 3.35Å; N93-W95 PolarHBondContact O-N 2.83Å; N93-W95 VanDerWaalsContact O-N 3.12Å; N93-W95 PolarHBondContact OD1-N 3.16Å; N93-H96 PolarHBondContact O-N 3.1Å; N93-H96 VanDerWaalsContact O-N 3.09Å; N93-H96 WeakPolarHBondContact OD1-CB 3.38Å; N93-H96 PolarHBondContact OD1-N 3.35Å; N93-I97 PolarHBondContact O-N 3.42Å
94	V	86.9	Confident	72.8	Confident	85 Å²	85	78.1 Å²	78.1	52%	0.515	40%	0.401	S	S	.	.	H	α-helix	trans	-55.1	-36.3	-172.9	-179.1	0	0	0	0	112.1	I97 W98 I291	V94-I97 PolarHBondContact O-N 2.87Å; V94-W98 WeakPolarHBondContact O-CB 3.39Å; V94-W98 PolarHBondContact O-N 3.49Å; V94-I291 HydrophobicContact CG2-CG2 3.85Å
95	W	84	Confident	75.3	Confident	117 Å²	117	74 Å²	74	44%	0.443	38%	0.38	S	S	.	.	H	α-helix	trans	-71.8	-35.8	-178.7	-66.1	105.7	0	0	0	113.4	L73 Q76 N93 Y99	L73-W95 HydrophobicContact CD1-CE3 4.31Å; Q76-W95 VanDerWaalsContact NE2-CE2 3.26Å; N93-W95 PolarHBondContact O-N 2.83Å; N93-W95 VanDerWaalsContact O-N 3.12Å; N93-W95 PolarHBondContact OD1-N 3.16Å; W95-Y99 WeakPolarHBondContact O-CB 2.9Å; W95-Y99 PolarHBondContact O-N 2.93Å
96	H	83.9	Confident	77.7	Confident	70 Å²	70	68.8 Å²	68.8	32%	0.324	35%	0.347	S	S	.	.	H	α-helix	trans	-67.1	-40.5	172.3	-178.5	64.8	0	0	0	111.9	N93 Y99 S100	N93-H96 PolarHBondContact O-N 3.1Å; N93-H96 VanDerWaalsContact O-N 3.09Å; N93-H96 WeakPolarHBondContact OD1-CB 3.38Å; N93-H96 PolarHBondContact OD1-N 3.35Å; H96-Y99 PolarHBondContact O-N 3.09Å; H96-S100 VanDerWaalsContact O-CB 3.31Å; H96-S100 WeakPolarHBondContact O-CB 3.44Å; H96-S100 PolarHBondContact O-N 3.49Å; H96-S100 PolarHBondContact O-OG 3.49Å
97	I	90.7	Very high	80	Confident	15 Å²	15	64.4 Å²	64.4	8%	0.077	33%	0.325	C	S	.	.	H	α-helix	trans	-66.2	-43.1	175	-59.4	-58.3	0	0	0	110.9	Y92 N93 V94 S100 L101 L284 E287 I291	Y92-I97 HydrophobicContact CD1-CD1 4.08Å; N93-I97 PolarHBondContact O-N 3.42Å; V94-I97 PolarHBondContact O-N 2.87Å; I97-S100 PolarHBondContact O-N 2.95Å; I97-L101 WeakPolarHBondContact O-CB 3.34Å; I97-L101 PolarHBondContact O-N 3.02Å; I97-L284 HydrophobicContact CG2-CD1 4.31Å; I97-E287 HydrophobicContact CD1-CB 3.65Å; I97-I291 HydrophobicContact CB-CD1 4.26Å; I97-I291 HydrophobicContact CG1-CD1 3.98Å; I97-I291 HydrophobicContact CG1-CG1 3.92Å; I97-I291 HydrophobicContact CG2-CD1 4.26Å
98	W	92.7	Very high	82.4	Confident	93 Å²	93	62 Å²	62	35%	0.352	31%	0.313	S	S	.	.	H	α-helix	trans	-61.8	-45.5	174.7	173.8	-120.1	0	0	0	112.5	F67 V94 S100 L101 L102	F67-W98 HydrophobicContact CB-CZ2 4.22Å; F67-W98 HydrophobicContact CD1-CH2 4.36Å; F67-W98 AromaticContact CD1-CZ2 3.81Å; F67-W98 HydrophobicContact CD1-CZ2 3.81Å; F67-W98 HydrophobicContact CE1-CZ2 4.4Å; F67-W98 HydrophobicContact CG-CZ2 4.09Å; V94-W98 WeakPolarHBondContact O-CB 3.39Å; V94-W98 PolarHBondContact O-N 3.49Å; W98-S100 VanDerWaalsContact C-N 3.33Å; W98-S100 PolarHBondContact O-N 2.89Å; W98-L101 HydrophobicContact CE3-CD2 4.09Å; W98-L101 HydrophobicContact CZ3-CD2 4.11Å; W98-L101 PolarHBondContact O-N 3.26Å; W98-L102 HydrophobicContact CD2-CD1 4.28Å; W98-L102 HydrophobicContact CD2-CG 4.37Å; W98-L102 HydrophobicContact CH2-CD2 3.94Å; W98-L102 HydrophobicContact CH2-CG 4.31Å; W98-L102 HydrophobicContact CZ2-CD1 3.81Å; W98-L102 HydrophobicContact CZ2-CD2 4Å; W98-L102 HydrophobicContact CZ2-CG 4.09Å; W98-L102 HydrophobicContact CZ3-CD2 4.42Å; W98-L102 WeakPolarHBondContact O-CG 3.45Å; W98-L102 PolarHBondContact O-N 2.65Å
99	Y	91	Very high	85	Confident	110 Å²	110	56.5 Å²	56.5	43%	0.431	27%	0.274	S	S	.	.	H	α-helix	trans	-59.1	-44.4	173.7	179.6	-90.6	0	0	0	111.7	L68 L73 W95 H96 L102 A103	L68-Y99 HydrophobicContact CD2-CD2 4.36Å; L68-Y99 HydrophobicContact CD2-CE2 4.21Å; L73-Y99 HydrophobicContact CD1-CD2 4.44Å; L73-Y99 HydrophobicContact CD2-CD2 3.86Å; L73-Y99 HydrophobicContact CG-CD2 3.99Å; W95-Y99 WeakPolarHBondContact O-CB 2.9Å; W95-Y99 PolarHBondContact O-N 2.93Å; H96-Y99 PolarHBondContact O-N 3.09Å; Y99-L102 PolarHBondContact O-N 2.99Å; Y99-A103 HydrophobicContact CE1-CB 4.39Å; Y99-A103 WeakPolarHBondContact O-CB 3.27Å; Y99-A103 PolarHBondContact O-N 3.37Å
100	S	90.8	Very high	87.2	Confident	22 Å²	22	53 Å²	53	15%	0.154	26%	0.255	C	S	.	.	H	α-helix	trans	-69.4	-35.8	-178.9	-58.2	0	0	0	0	112.4	H96 I97 W98 A103 E104	H96-S100 VanDerWaalsContact O-CB 3.31Å; H96-S100 WeakPolarHBondContact O-CB 3.44Å; H96-S100 PolarHBondContact O-N 3.49Å; H96-S100 PolarHBondContact O-OG 3.49Å; I97-S100 PolarHBondContact O-N 2.95Å; W98-S100 VanDerWaalsContact C-N 3.33Å; W98-S100 PolarHBondContact O-N 2.89Å; S100-A103 PolarHBondContact O-N 2.94Å; S100-E104 PolarHBondContact O-N 3.2Å
101	L	94.8	Very high	89.2	Confident	63 Å²	63	47.7 Å²	47.7	33%	0.33	23%	0.234	S	C	.	.	H	α-helix	trans	-60.1	-45.7	170.1	178.4	61.4	0	0	0	111.2	I97 W98 S105 F281 L284	I97-L101 WeakPolarHBondContact O-CB 3.34Å; I97-L101 PolarHBondContact O-N 3.02Å; W98-L101 HydrophobicContact CE3-CD2 4.09Å; W98-L101 HydrophobicContact CZ3-CD2 4.11Å; W98-L101 PolarHBondContact O-N 3.26Å; L101-S105 VanDerWaalsContact O-CB 3.28Å; L101-S105 WeakPolarHBondContact O-CB 3.49Å; L101-S105 PolarHBondContact O-N 3.37Å; L101-S105 PolarHBondContact O-OG 2.95Å; L101-F281 HydrophobicContact CD1-CE1 4.03Å; L101-L284 HydrophobicContact CB-CD2 3.9Å; L101-L284 HydrophobicContact CD1-CD2 3.66Å; L101-L284 HydrophobicContact CG-CD2 4.39Å
102	L	94.7	Very high	90.9	Very high	8 Å²	8	46.3 Å²	46.3	4%	0.042	23%	0.227	C	C	.	.	H	α-helix	trans	-65.2	-43.8	175.4	-68.4	174.3	0	0	0	111.5	V64 F67 L68 L73 W98 Y99 E104 S105 N106	V64-L102 HydrophobicContact CG1-CB 4.17Å; V64-L102 HydrophobicContact CG1-CD2 4.27Å; V64-L102 WeakPolarHBondContact CG1-O 3.4Å; F67-L102 HydrophobicContact CB-CD1 3.68Å; F67-L102 HydrophobicContact CB-CD2 3.76Å; F67-L102 HydrophobicContact CB-CG 4.41Å; F67-L102 HydrophobicContact CD2-CD2 4.42Å; F67-L102 HydrophobicContact CG-CD2 4.3Å; L68-L102 HydrophobicContact CD2-CB 3.64Å; L68-L102 HydrophobicContact CD2-CD1 3.96Å; L68-L102 HydrophobicContact CD2-CG 4.47Å; L68-L102 HydrophobicContact CG-CB 4.08Å; L68-L102 HydrophobicContact CG-CD1 4.38Å; L73-L102 HydrophobicContact CD2-CD1 3.92Å; W98-L102 HydrophobicContact CD2-CD1 4.28Å; W98-L102 HydrophobicContact CD2-CG 4.37Å; W98-L102 HydrophobicContact CH2-CD2 3.94Å; W98-L102 HydrophobicContact CH2-CG 4.31Å; W98-L102 HydrophobicContact CZ2-CD1 3.81Å; W98-L102 HydrophobicContact CZ2-CD2 4Å; W98-L102 HydrophobicContact CZ2-CG 4.09Å; W98-L102 HydrophobicContact CZ3-CD2 4.42Å; W98-L102 WeakPolarHBondContact O-CG 3.45Å; W98-L102 PolarHBondContact O-N 2.65Å; Y99-L102 PolarHBondContact O-N 2.99Å; L102-E104 PolarHBondContact O-N 3.18Å; L102-S105 PolarHBondContact O-N 3.15Å; L102-N106 PolarHBondContact O-N 3.44Å
103	A	93.1	Very high	92.5	Very high	29 Å²	29	45.6 Å²	45.6	24%	0.24	23%	0.226	C	C	.	.	H	α-helix	trans	-60.3	-47.5	179.7	0	0	0	0	0	112.3	Y99 S100 N106 N107	Y99-A103 HydrophobicContact CE1-CB 4.39Å; Y99-A103 WeakPolarHBondContact O-CB 3.27Å; Y99-A103 PolarHBondContact O-N 3.37Å; S100-A103 PolarHBondContact O-N 2.94Å; A103-N106 PolarHBondContact O-N 3.15Å; A103-N107 PolarHBondContact O-N 3.47Å
104	E	95.2	Very high	93.5	Very high	47 Å²	47	49.7 Å²	49.7	22%	0.22	24%	0.238	C	C	.	.	H	α-helix	trans	-71.9	-28.7	176.5	-68.2	-67.5	-168.3	0	0	112.6	S100 L102 N106 N107 L108 R280	S100-E104 PolarHBondContact O-N 3.2Å; L102-E104 PolarHBondContact O-N 3.18Å; E104-N106 VanDerWaalsContact C-N 3.35Å; E104-N106 PolarHBondContact O-N 2.98Å; E104-N107 WeakPolarHBondContact O-CB 3.45Å; E104-N107 PolarHBondContact O-N 3.37Å; E104-N107 WeakPolarHBondContact OE2-CB 3.31Å; E104-N107 PolarHBondContact OE2-ND2 2.88Å; E104-L108 WeakPolarHBondContact O-CB 3.41Å; E104-L108 PolarHBondContact O-N 2.87Å; E104-R280 HydrophobicContact CG-CB 4.43Å; E104-R280 IonicContact OE1-NE 3.02Å; E104-R280 WeakPolarHBondContact OE2-CD 3.33Å; E104-R280 IonicContact OE2-CZ 3.17Å; E104-R280 IonicContact OE2-NE 2.67Å; E104-R280 PolarHBondContact OE2-NE 3.28Å
105	S	96.7	Very high	93.9	Very high	21 Å²	21	46.3 Å²	46.3	15%	0.147	22%	0.219	C	C	.	.	H	α-helix	trans	-65.6	-35.6	170.2	-56.4	0	0	0	0	112.4	L101 L102 A109	L101-S105 VanDerWaalsContact O-CB 3.28Å; L101-S105 WeakPolarHBondContact O-CB 3.49Å; L101-S105 PolarHBondContact O-N 3.37Å; L101-S105 PolarHBondContact O-OG 2.95Å; L102-S105 PolarHBondContact O-N 3.15Å; S105-A109 PolarHBondContact O-N 3.24Å; S105-A109 VanDerWaalsContact O-N 3.08Å
106	N	96	Very high	94.6	Very high	32 Å²	32	40.8 Å²	40.8	17%	0.171	20%	0.198	C	C	.	.	H	α-helix	trans	-71.1	-36.7	170.4	179.7	54.1	0	0	0	111.7	Q61 V64 L102 A103 E104 L108 A109 L110	Q61-N106 PolarHBondContact NE2-OD1 3.33Å; V64-N106 HydrophobicContact CG1-CB 3.84Å; L102-N106 PolarHBondContact O-N 3.44Å; A103-N106 PolarHBondContact O-N 3.15Å; E104-N106 VanDerWaalsContact C-N 3.35Å; E104-N106 PolarHBondContact O-N 2.98Å; N106-L108 VanDerWaalsContact C-N 3.32Å; N106-L108 PolarHBondContact O-N 3.42Å; N106-A109 WeakPolarHBondContact O-CB 3.42Å; N106-A109 PolarHBondContact O-N 3.23Å; N106-L110 WeakPolarHBondContact O-CG 3.41Å; N106-L110 PolarHBondContact O-N 3.36Å
107	N	95.2	Very high	95.2	Very high	48 Å²	48	41.9 Å²	41.9	26%	0.257	21%	0.206	S	C	.	.	H	α-helix	trans	-62.7	-39.1	174	-73	-28.1	0	0	0	112	A103 E104 L110 S111	A103-N107 PolarHBondContact O-N 3.47Å; E104-N107 WeakPolarHBondContact O-CB 3.45Å; E104-N107 PolarHBondContact O-N 3.37Å; E104-N107 WeakPolarHBondContact OE2-CB 3.31Å; E104-N107 PolarHBondContact OE2-ND2 2.88Å; N107-L110 PolarHBondContact O-N 3.12Å; N107-S111 PolarHBondContact O-N 2.84Å; N107-S111 PolarHBondContact O-OG 3.07Å
108	L	96.8	Very high	95.5	Very high	26 Å²	26	43.6 Å²	43.6	14%	0.136	22%	0.216	C	C	.	.	H	α-helix	trans	-60.5	-50.2	171.7	177.5	58.9	0	0	0	110.9	L60 E104 N106 L110 S111 H112 F273 T277 F281	L60-L108 HydrophobicContact CD2-CB 4.23Å; L60-L108 HydrophobicContact CD2-CD2 3.93Å; L60-L108 HydrophobicContact CD2-CG 3.89Å; E104-L108 WeakPolarHBondContact O-CB 3.41Å; E104-L108 PolarHBondContact O-N 2.87Å; N106-L108 VanDerWaalsContact C-N 3.32Å; N106-L108 PolarHBondContact O-N 3.42Å; L108-L110 VanDerWaalsContact C-N 3.31Å; L108-L110 PolarHBondContact O-N 2.95Å; L108-S111 WeakPolarHBondContact O-CA 3.38Å; L108-S111 WeakPolarHBondContact O-CB 3.48Å; L108-S111 PolarHBondContact O-N 3.03Å; L108-H112 PolarHBondContact O-CD2 2.79Å; L108-H112 VanDerWaalsContact O-CD2 3.26Å; L108-H112 PolarHBondContact O-N 2.79Å; L108-F273 HydrophobicContact CD1-CE2 3.81Å; L108-F273 HydrophobicContact CD1-CZ 3.65Å; L108-T277 HydrophobicContact CD1-CG2 3.88Å; L108-F281 HydrophobicContact CD2-CE2 4.22Å; L108-F281 HydrophobicContact CD2-CZ 4.44Å
109	A	97.5	Very high	95.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-55	-45.3	175.8	0	0	0	0	0	112.5	L60 Q61 S105 N106 S111 H112 L113	L60-A109 HydrophobicContact CB-CB 3.96Å; L60-A109 HydrophobicContact CD2-CB 3.97Å; L60-A109 HydrophobicContact CG-CB 3.9Å; Q61-A109 HydrophobicContact CB-CB 3.93Å; S105-A109 PolarHBondContact O-N 3.24Å; S105-A109 VanDerWaalsContact O-N 3.08Å; N106-A109 WeakPolarHBondContact O-CB 3.42Å; N106-A109 PolarHBondContact O-N 3.23Å; A109-S111 VanDerWaalsContact C-N 3.33Å; A109-S111 PolarHBondContact O-N 2.8Å; A109-H112 PolarHBondContact O-N 3.43Å; A109-L113 WeakPolarHBondContact O-CG 3.44Å; A109-L113 PolarHBondContact O-N 3.41Å
110	L	96.5	Very high	96	Very high	54 Å²	54	37.5 Å²	37.5	28%	0.283	20%	0.195	S	C	.	.	H	α-helix	trans	-64.3	-33.8	175	-70.6	171.5	0	0	0	112.7	N106 N107 L108 L113 R114	N106-L110 WeakPolarHBondContact O-CG 3.41Å; N106-L110 PolarHBondContact O-N 3.36Å; N107-L110 PolarHBondContact O-N 3.12Å; L108-L110 VanDerWaalsContact C-N 3.31Å; L108-L110 PolarHBondContact O-N 2.95Å; L110-L113 HydrophobicContact CD2-CD1 4.45Å; L110-L113 PolarHBondContact O-N 3.44Å; L110-R114 WeakPolarHBondContact O-CG 3.17Å; L110-R114 PolarHBondContact O-N 2.81Å; L110-R114 VanDerWaalsContact O-N 3.13Å
111	S	96.3	Very high	96.3	Very high	12 Å²	12	41.3 Å²	41.3	8%	0.084	21%	0.206	C	C	.	.	H	α-helix	trans	-66.8	-41.5	174.6	-71.8	0	0	0	0	112.6	N107 L108 A109 L113 R114 A115	N107-S111 PolarHBondContact O-N 2.84Å; N107-S111 PolarHBondContact O-OG 3.07Å; L108-S111 WeakPolarHBondContact O-CA 3.38Å; L108-S111 WeakPolarHBondContact O-CB 3.48Å; L108-S111 PolarHBondContact O-N 3.03Å; A109-S111 VanDerWaalsContact C-N 3.33Å; A109-S111 PolarHBondContact O-N 2.8Å; S111-L113 VanDerWaalsContact C-N 3.3Å; S111-L113 PolarHBondContact O-N 3.1Å; S111-R114 PolarHBondContact O-N 3.43Å; S111-R114 VanDerWaalsContact O-N 3.14Å; S111-R114 PolarHBondContact OG-NH1 3.01Å; S111-A115 PolarHBondContact O-N 3.13Å
112	H	97.5	Very high	96.4	Very high	22 Å²	22	38.5 Å²	38.5	10%	0.102	19%	0.191	C	C	.	.	H	α-helix	trans	-61	-38	173	-74.9	-81.8	0	0	0	112.4	E53 Y56 L108 A109 R114 A115 S116 F273	E53-H112 IonicContact OE2-CE1 2.64Å; E53-H112 IonicContact OE2-CG 3.71Å; E53-H112 IonicContact OE2-ND1 2.66Å; E53-H112 PolarHBondContact OE2-ND1 2.81Å; Y56-H112 HydrophobicContact CD1-CB 4.33Å; Y56-H112 AromaticContact CD1-CD2 3.55Å; Y56-H112 AromaticContact CD1-CE1 3.73Å; Y56-H112 AromaticContact CD1-CG 3.67Å; Y56-H112 AromaticContact CD1-ND1 3.78Å; Y56-H112 AromaticContact CD1-NE2 3.6Å; Y56-H112 AromaticContact CE1-CD2 3.48Å; Y56-H112 VanDerWaalsContact CE1-CD2 3.48Å; Y56-H112 WeakPolarHBondContact CE1-CD2 3.49Å; Y56-H112 AromaticContact CE1-CE1 3.75Å; Y56-H112 AromaticContact CE1-NE2 3.25Å; Y56-H112 WeakPolarHBondContact CE1-NE2 3.28Å; L108-H112 PolarHBondContact O-CD2 2.79Å; L108-H112 VanDerWaalsContact O-CD2 3.26Å; L108-H112 PolarHBondContact O-N 2.79Å; A109-H112 PolarHBondContact O-N 3.43Å; H112-R114 PolarHBondContact O-N 2.83Å; H112-A115 PolarHBondContact O-N 3.44Å; H112-S116 WeakPolarHBondContact O-CB 3.43Å; H112-S116 PolarHBondContact O-N 2.94Å; H112-F273 AromaticContact CE1-CE2 3.98Å; H112-F273 AromaticContact CE1-CZ 3.4Å; H112-F273 WeakPolarHBondContact CE1-CZ 3.39Å; H112-F273 AromaticContact NE2-CE2 3.84Å; H112-F273 AromaticContact NE2-CZ 3.35Å; H112-F273 VanDerWaalsContact NE2-CZ 3.35Å; H112-F273 WeakPolarHBondContact NE2-CZ 3.21Å
113	L	97.6	Very high	96.5	Very high	32 Å²	32	38.5 Å²	38.5	17%	0.168	19%	0.192	C	C	.	.	H	α-helix	trans	-63.2	-39.6	173.8	-62.9	178.9	0	0	0	112.2	R54 Q58 A109 L110 S111 S116 D117	R54-L113 HydrophobicContact CG-CD2 4.06Å; Q58-L113 HydrophobicContact CG-CD2 4.07Å; A109-L113 WeakPolarHBondContact O-CG 3.44Å; A109-L113 PolarHBondContact O-N 3.41Å; L110-L113 HydrophobicContact CD2-CD1 4.45Å; L110-L113 PolarHBondContact O-N 3.44Å; S111-L113 VanDerWaalsContact C-N 3.3Å; S111-L113 PolarHBondContact O-N 3.1Å; L113-S116 WeakPolarHBondContact O-CB 3.2Å; L113-S116 PolarHBondContact O-N 2.9Å; L113-D117 PolarHBondContact O-N 3.16Å
114	R	96.2	Very high	96.6	Very high	138 Å²	138	40.9 Å²	40.9	52%	0.521	20%	0.203	S	C	.	.	H	α-helix	trans	-66	-43.7	173.7	-65.1	-179.2	-159.1	103.8	4.2	112.4	L110 S111 H112 S116 D117 N118	L110-R114 WeakPolarHBondContact O-CG 3.17Å; L110-R114 PolarHBondContact O-N 2.81Å; L110-R114 VanDerWaalsContact O-N 3.13Å; S111-R114 PolarHBondContact O-N 3.43Å; S111-R114 VanDerWaalsContact O-N 3.14Å; S111-R114 PolarHBondContact OG-NH1 3.01Å; H112-R114 PolarHBondContact O-N 2.83Å; R114-S116 VanDerWaalsContact C-N 3.3Å; R114-S116 PolarHBondContact O-N 3.39Å; R114-D117 PolarHBondContact O-N 3.21Å; R114-N118 PolarHBondContact O-N 2.72Å
115	A	95.6	Very high	96.6	Very high	14 Å²	14	42.9 Å²	42.9	12%	0.116	21%	0.213	C	C	.	.	H	α-helix	trans	-59.8	-43.3	176.6	0	0	0	0	0	111.1	S111 H112 N118 Q119	S111-A115 PolarHBondContact O-N 3.13Å; H112-A115 PolarHBondContact O-N 3.44Å; A115-N118 PolarHBondContact O-N 3.39Å; A115-Q119 WeakPolarHBondContact O-CB 3.42Å; A115-Q119 VanDerWaalsContact O-CG 3.27Å; A115-Q119 WeakPolarHBondContact O-CG 3.32Å; A115-Q119 PolarHBondContact O-N 3.4Å
116	S	97.6	Very high	96.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.9	-46.5	173.5	178.6	0	0	0	0	113.4	A50 R54 H112 L113 R114 Q119 Q120	A50-S116 WeakPolarHBondContact CB-O 3.44Å; A50-S116 PolarHBondContact O-OG 3.24Å; R54-S116 WeakPolarHBondContact CB-OG 3.47Å; R54-S116 PolarHBondContact NH1-OG 3.49Å; R54-S116 PolarHBondContact NH2-OG 3.06Å; H112-S116 WeakPolarHBondContact O-CB 3.43Å; H112-S116 PolarHBondContact O-N 2.94Å; L113-S116 WeakPolarHBondContact O-CB 3.2Å; L113-S116 PolarHBondContact O-N 2.9Å; R114-S116 VanDerWaalsContact C-N 3.3Å; R114-S116 PolarHBondContact O-N 3.39Å; S116-Q119 PolarHBondContact O-N 3.04Å; S116-Q120 VanDerWaalsContact O-CB 3.29Å; S116-Q120 WeakPolarHBondContact O-CB 3.25Å; S116-Q120 PolarHBondContact O-N 3.26Å
117	D	97.3	Very high	96.5	Very high	93 Å²	93	45.9 Å²	45.9	50%	0.497	22%	0.222	S	C	.	.	H	α-helix	trans	-69.5	-35	-179.9	-72	-16.5	0	0	0	111.4	R54 L113 R114 Q120 R121	R54-D117 IonicContact CZ-OD1 2.91Å; R54-D117 IonicContact NE-OD1 3.39Å; R54-D117 IonicContact NH2-OD1 2.7Å; R54-D117 PolarHBondContact NH2-OD1 2.76Å; L113-D117 PolarHBondContact O-N 3.16Å; R114-D117 PolarHBondContact O-N 3.21Å; D117-Q120 PolarHBondContact O-N 2.86Å; D117-R121 WeakPolarHBondContact O-CB 3.43Å; D117-R121 PolarHBondContact O-N 2.88Å
118	N	95.8	Very high	96.4	Very high	52 Å²	52	47.3 Å²	47.3	28%	0.278	23%	0.234	S	C	.	.	H	α-helix	trans	-63.8	-47.6	170.8	-87.2	-18.5	0	0	0	112.2	R114 A115 Q120 R121 L122 N269	R114-N118 PolarHBondContact O-N 2.72Å; A115-N118 PolarHBondContact O-N 3.39Å; N118-Q120 VanDerWaalsContact C-N 3.31Å; N118-Q120 PolarHBondContact O-N 3.23Å; N118-R121 WeakPolarHBondContact O-CB 3.3Å; N118-R121 PolarHBondContact O-N 3.37Å; N118-R121 VanDerWaalsContact O-N 3.16Å; N118-L122 WeakPolarHBondContact O-CG 3.45Å; N118-L122 PolarHBondContact O-N 3.44Å; N118-N269 PolarHBondContact ND2-OD1 2.89Å
119	Q	97	Very high	96.4	Very high	13 Å²	13	46.5 Å²	46.5	6%	0.061	23%	0.23	C	C	.	.	H	α-helix	trans	-63	-37.9	176.1	-69.7	167.4	7.9	0	0	112	A50 A115 S116 L122 S123 L266	A50-Q119 HydrophobicContact CB-CB 3.92Å; A50-Q119 VanDerWaalsContact N-OE1 3.08Å; A115-Q119 WeakPolarHBondContact O-CB 3.42Å; A115-Q119 VanDerWaalsContact O-CG 3.27Å; A115-Q119 WeakPolarHBondContact O-CG 3.32Å; A115-Q119 PolarHBondContact O-N 3.4Å; S116-Q119 PolarHBondContact O-N 3.04Å; Q119-L122 PolarHBondContact O-N 3.29Å; Q119-S123 WeakPolarHBondContact O-CB 3.49Å; Q119-S123 PolarHBondContact O-N 3.04Å; Q119-L266 HydrophobicContact CG-CD2 4.04Å
120	Q	97.6	Very high	96.1	Very high	61 Å²	61	48.9 Å²	48.9	29%	0.285	24%	0.24	S	C	.	.	H	α-helix	trans	-66.4	-36.3	174.2	-177.1	52.8	77.6	0	0	112	A50 S116 D117 N118 S123 T124	A50-Q120 HydrophobicContact CB-CB 4.07Å; S116-Q120 VanDerWaalsContact O-CB 3.29Å; S116-Q120 WeakPolarHBondContact O-CB 3.25Å; S116-Q120 PolarHBondContact O-N 3.26Å; D117-Q120 PolarHBondContact O-N 2.86Å; N118-Q120 VanDerWaalsContact C-N 3.31Å; N118-Q120 PolarHBondContact O-N 3.23Å; Q120-S123 PolarHBondContact O-N 3.4Å; Q120-T124 PolarHBondContact O-N 3.26Å; Q120-T124 VanDerWaalsContact O-N 3.07Å; Q120-T124 PolarHBondContact O-OG1 2.83Å
121	R	97.1	Very high	96	Very high	103 Å²	103	53.6 Å²	53.6	39%	0.389	26%	0.255	S	S	.	.	H	α-helix	trans	-61.8	-51.3	172	177.1	175.6	67.2	81.1	-3.2	111.4	D117 N118 S123 T124 E125	D117-R121 WeakPolarHBondContact O-CB 3.43Å; D117-R121 PolarHBondContact O-N 2.88Å; N118-R121 WeakPolarHBondContact O-CB 3.3Å; N118-R121 PolarHBondContact O-N 3.37Å; N118-R121 VanDerWaalsContact O-N 3.16Å; R121-S123 VanDerWaalsContact C-N 3.27Å; R121-S123 PolarHBondContact O-N 3.42Å; R121-T124 CarbonylContact O-C 3.56Å; R121-T124 WeakPolarHBondContact O-CA 3.29Å; R121-T124 PolarHBondContact O-N 3.2Å; R121-T124 PolarHBondContact O-OG1 3.44Å; R121-E125 WeakPolarHBondContact CD-OE1 3.24Å; R121-E125 HydrophobicContact CG-CG 4.38Å; R121-E125 WeakPolarHBondContact CG-OE1 3.38Å; R121-E125 IonicContact CZ-OE1 2.65Å; R121-E125 IonicContact NE-OE1 2.72Å; R121-E125 VanDerWaalsContact NH1-CD 3.32Å; R121-E125 IonicContact NH1-OE1 2.72Å; R121-E125 PolarHBondContact NH1-OE1 3.37Å; R121-E125 IonicContact NH1-OE2 2.98Å; R121-E125 PolarHBondContact NH1-OE2 3.26Å; R121-E125 VanDerWaalsContact NH1-OE2 3.1Å; R121-E125 WeakPolarHBondContact O-CG 3.28Å; R121-E125 PolarHBondContact O-N 2.99Å
122	L	96.7	Very high	95.9	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-56.8	-41.2	176.6	-61.9	169	0	0	0	111.5	N118 Q119 T124 E125 L126 V262 T265 L266	N118-L122 WeakPolarHBondContact O-CG 3.45Å; N118-L122 PolarHBondContact O-N 3.44Å; Q119-L122 PolarHBondContact O-N 3.29Å; L122-T124 VanDerWaalsContact C-N 3.3Å; L122-T124 PolarHBondContact O-N 2.8Å; L122-E125 PolarHBondContact O-N 2.85Å; L122-L126 PolarHBondContact O-N 2.86Å; L122-V262 HydrophobicContact CD2-CG2 4.12Å; L122-T265 HydrophobicContact CD1-CG2 4.08Å; L122-T265 HydrophobicContact CD2-CG2 4.05Å; L122-L266 HydrophobicContact CD1-CD2 3.78Å; L122-L266 HydrophobicContact CD1-CG 3.98Å
123	S	96.7	Very high	95.8	Very high	7 Å²	7	56 Å²	56	5%	0.049	27%	0.265	C	S	.	.	H	α-helix	trans	-61.9	-32.8	173.8	-169.2	0	0	0	0	113.3	R43 Q119 Q120 R121	R43-S123 VanDerWaalsContact CD-O 3.25Å; R43-S123 WeakPolarHBondContact CD-O 3.38Å; R43-S123 WeakPolarHBondContact CG-O 3.41Å; R43-S123 WeakPolarHBondContact CG-OG 3.44Å; R43-S123 PolarHBondContact O-OG 2.87Å; Q119-S123 WeakPolarHBondContact O-CB 3.49Å; Q119-S123 PolarHBondContact O-N 3.04Å; Q120-S123 PolarHBondContact O-N 3.4Å; R121-S123 VanDerWaalsContact C-N 3.27Å; R121-S123 PolarHBondContact O-N 3.42Å
124	T	96	Very high	95.6	Very high	80 Å²	80	58.2 Å²	58.2	49%	0.491	28%	0.276	S	S	.	.	H	α-helix	trans	-76.9	-33.8	172.4	53.1	0	0	0	0	113.5	Q120 R121 L122 K127 P128	Q120-T124 PolarHBondContact O-N 3.26Å; Q120-T124 VanDerWaalsContact O-N 3.07Å; Q120-T124 PolarHBondContact O-OG1 2.83Å; R121-T124 CarbonylContact O-C 3.56Å; R121-T124 WeakPolarHBondContact O-CA 3.29Å; R121-T124 PolarHBondContact O-N 3.2Å; R121-T124 PolarHBondContact O-OG1 3.44Å; L122-T124 VanDerWaalsContact C-N 3.3Å; L122-T124 PolarHBondContact O-N 2.8Å; T124-K127 WeakPolarHBondContact O-CB 3.19Å; T124-K127 PolarHBondContact O-N 3.24Å; T124-P128 VanDerWaalsContact O-CD 3.24Å; T124-P128 WeakPolarHBondContact O-CD 3.4Å
125	E	94.3	Very high	95.5	Very high	89 Å²	89	55 Å²	55	42%	0.416	28%	0.275	S	S	.	.	H	α-helix	trans	-71.1	-34.9	180	-71.8	167.3	-180	0	0	112.5	R121 L122 K127 P128	R121-E125 WeakPolarHBondContact CD-OE1 3.24Å; R121-E125 HydrophobicContact CG-CG 4.38Å; R121-E125 WeakPolarHBondContact CG-OE1 3.38Å; R121-E125 IonicContact CZ-OE1 2.65Å; R121-E125 IonicContact NE-OE1 2.72Å; R121-E125 VanDerWaalsContact NH1-CD 3.32Å; R121-E125 IonicContact NH1-OE1 2.72Å; R121-E125 PolarHBondContact NH1-OE1 3.37Å; R121-E125 IonicContact NH1-OE2 2.98Å; R121-E125 PolarHBondContact NH1-OE2 3.26Å; R121-E125 VanDerWaalsContact NH1-OE2 3.1Å; R121-E125 WeakPolarHBondContact O-CG 3.28Å; R121-E125 PolarHBondContact O-N 2.99Å; L122-E125 PolarHBondContact O-N 2.85Å; E125-K127 VanDerWaalsContact C-N 3.28Å; E125-K127 PolarHBondContact O-N 3.38Å; E125-P128 VanDerWaalsContact O-CD 3.25Å; E125-P128 WeakPolarHBondContact O-CD 3.48Å; E125-P128 VanDerWaalsContact O-CG 3.31Å; E125-P128 WeakPolarHBondContact O-CG 3.25Å
126	L	95.6	Very high	95.6	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-71.6	-17.3	173.8	-69.5	179.2	0	0	0	114	L39 L42 R43 L122 L129 V262	L39-L126 HydrophobicContact CD1-CB 4.16Å; L39-L126 HydrophobicContact CD1-CD2 3.74Å; L39-L126 HydrophobicContact CD1-CG 4.36Å; L42-L126 HydrophobicContact CB-CD1 4.33Å; L42-L126 HydrophobicContact CD2-CD1 3.93Å; L42-L126 HydrophobicContact CG-CD1 3.84Å; R43-L126 HydrophobicContact CB-CB 4.17Å; R43-L126 HydrophobicContact CB-CD1 4.32Å; R43-L126 HydrophobicContact CG-CB 4.1Å; L122-L126 PolarHBondContact O-N 2.86Å; L126-L129 HydrophobicContact CD2-CD2 4.29Å; L126-V262 HydrophobicContact CD1-CG1 4.41Å; L126-V262 HydrophobicContact CD1-CG2 4.33Å; L126-V262 HydrophobicContact CD2-CG2 3.91Å; L126-V262 HydrophobicContact CG-CG2 4.15Å
127	K	94.4	Very high	95.5	Very high	111 Å²	111	57 Å²	57	48%	0.483	28%	0.284	S	S	.	.	H	α-helix	trans	-63.5	-52.3	-179	-174.2	178.3	176.4	-175.1	0	113.9	T124 E125 L129 K130 Y131	T124-K127 WeakPolarHBondContact O-CB 3.19Å; T124-K127 PolarHBondContact O-N 3.24Å; E125-K127 VanDerWaalsContact C-N 3.28Å; E125-K127 PolarHBondContact O-N 3.38Å; K127-L129 VanDerWaalsContact C-N 3.3Å; K127-L129 PolarHBondContact O-N 3.26Å; K127-K130 PolarHBondContact O-N 3.44Å; K127-Y131 HydrophobicContact CG-CE2 3.97Å; K127-Y131 VanDerWaalsContact O-CD2 3.26Å; K127-Y131 WeakPolarHBondContact O-CD2 3.49Å
128	P	95.1	Very high	95.4	Very high	78 Å²	78	60.3 Å²	60.3	51%	0.506	29%	0.294	S	S	.	.	H	α-helix	trans	-60.2	-36.5	176.8	22.2	-34.1	0	0	0	113.2	T124 E125 K130 Y131 Q132	T124-P128 VanDerWaalsContact O-CD 3.24Å; T124-P128 WeakPolarHBondContact O-CD 3.4Å; E125-P128 VanDerWaalsContact O-CD 3.25Å; E125-P128 WeakPolarHBondContact O-CD 3.48Å; E125-P128 VanDerWaalsContact O-CG 3.31Å; E125-P128 WeakPolarHBondContact O-CG 3.25Å; P128-K130 VanDerWaalsContact C-N 3.26Å; P128-K130 PolarHBondContact O-N 3.32Å; P128-Y131 PolarHBondContact O-N 2.84Å; P128-Q132 PolarHBondContact O-N 3.34Å
129	L	94.9	Very high	95.5	Very high	10 Å²	10	64.8 Å²	64.8	5%	0.052	31%	0.307	C	S	.	.	H	α-helix	trans	-58	-36.4	-179.6	-174.6	60.3	0	0	0	112.5	L39 L126 K127 Q132 R133 E254 L255 K258	L39-L129 HydrophobicContact CD1-CD2 3.98Å; L39-L129 HydrophobicContact CD1-CG 4.47Å; L39-L129 HydrophobicContact CD2-CB 4.38Å; L39-L129 HydrophobicContact CD2-CD2 4.34Å; L39-L129 HydrophobicContact CD2-CG 4.04Å; L126-L129 HydrophobicContact CD2-CD2 4.29Å; K127-L129 VanDerWaalsContact C-N 3.3Å; K127-L129 PolarHBondContact O-N 3.26Å; L129-Q132 PolarHBondContact O-N 3.44Å; L129-R133 PolarHBondContact O-N 3.31Å; L129-E254 HydrophobicContact CD1-CB 4.47Å; L129-L255 HydrophobicContact CD2-CD1 4.08Å; L129-K258 HydrophobicContact CD2-CB 3.68Å; L129-K258 HydrophobicContact CD2-CG 4.17Å
130	K	93.1	Very high	95.5	Very high	50 Å²	50	64.2 Å²	64.2	22%	0.217	31%	0.305	C	S	.	.	H	α-helix	trans	-63.3	-42.3	174.3	-164	-177.4	-167.9	-170.8	0	112.1	T36 L39 D40 K127 P128 L134	T36-K130 HydrophobicContact CG2-CG 3.92Å; L39-K130 HydrophobicContact CD2-CB 4.03Å; L39-K130 HydrophobicContact CD2-CG 4.46Å; D40-K130 VanDerWaalsContact OD1-CD 3.24Å; D40-K130 WeakPolarHBondContact OD1-CD 3.22Å; D40-K130 VanDerWaalsContact OD1-CE 3.32Å; D40-K130 WeakPolarHBondContact OD1-CE 3.34Å; D40-K130 IonicContact OD1-NZ 2.75Å; D40-K130 PolarHBondContact OD1-NZ 3.06Å; D40-K130 IonicContact OD2-NZ 3.71Å; D40-K130 PolarHBondContact OD2-NZ 3.26Å; K127-K130 PolarHBondContact O-N 3.44Å; P128-K130 VanDerWaalsContact C-N 3.26Å; P128-K130 PolarHBondContact O-N 3.32Å; K130-L134 HydrophobicContact CG-CD1 4.39Å; K130-L134 WeakPolarHBondContact O-CB 3.3Å; K130-L134 VanDerWaalsContact O-CG 3.28Å; K130-L134 WeakPolarHBondContact O-CG 3.39Å; K130-L134 PolarHBondContact O-N 2.94Å
131	Y	93.3	Very high	95.5	Very high	153 Å²	153	61.7 Å²	61.7	60%	0.6	29%	0.293	S	S	*	.	H	α-helix	trans	-68.7	-36.7	176.7	-64.3	-75.5	0	0	0	112	K127 P128 L134 S135	K127-Y131 HydrophobicContact CG-CE2 3.97Å; K127-Y131 VanDerWaalsContact O-CD2 3.26Å; K127-Y131 WeakPolarHBondContact O-CD2 3.49Å; P128-Y131 PolarHBondContact O-N 2.84Å; Y131-L134 PolarHBondContact O-N 2.93Å; Y131-S135 WeakPolarHBondContact O-CB 3.38Å; Y131-S135 PolarHBondContact O-N 3.29Å
132	Q	94.8	Very high	95.5	Very high	80 Å²	80	61.5 Å²	61.5	37%	0.374	30%	0.296	S	S	.	.	H	α-helix	trans	-60.5	-51.5	173.4	-176.1	176.1	-6.5	0	0	110.9	P128 L129 L134 S135 V136 E254	P128-Q132 PolarHBondContact O-N 3.34Å; L129-Q132 PolarHBondContact O-N 3.44Å; Q132-L134 PolarHBondContact O-N 2.97Å; Q132-S135 WeakPolarHBondContact O-CB 3.45Å; Q132-S135 PolarHBondContact O-N 2.81Å; Q132-S135 VanDerWaalsContact O-N 3.14Å; Q132-V136 WeakPolarHBondContact O-CB 3.49Å; Q132-V136 WeakPolarHBondContact O-CG2 3.5Å; Q132-V136 PolarHBondContact O-N 3.36Å; Q132-E254 PolarHBondContact NE2-OE1 3.08Å
133	R	94.9	Very high	95.5	Very high	5 Å²	5	65.8 Å²	65.8	2%	0.019	32%	0.316	C	S	.	.	H	α-helix	trans	-58	-44.4	174.8	-76.5	-172.1	67.9	104.8	-13.8	112.4	N32 E35 T36 L129 S135 V136 N137 D252	N32-R133 PolarHBondContact OD1-NE 2.96Å; N32-R133 PolarHBondContact OD1-NH2 2.83Å; E35-R133 VanDerWaalsContact CB-NH2 3.27Å; E35-R133 IonicContact OE2-CZ 3.65Å; E35-R133 IonicContact OE2-NH1 3.8Å; E35-R133 IonicContact OE2-NH2 2.68Å; E35-R133 PolarHBondContact OE2-NH2 3.14Å; T36-R133 PolarHBondContact OG1-NE 3.04Å; L129-R133 PolarHBondContact O-N 3.31Å; R133-S135 VanDerWaalsContact C-N 3.28Å; R133-S135 PolarHBondContact O-N 3.02Å; R133-V136 PolarHBondContact O-N 2.97Å; R133-N137 WeakPolarHBondContact O-CB 3.16Å; R133-N137 PolarHBondContact O-N 3.42Å; R133-D252 PolarHBondContact NH1-O 2.89Å
134	L	93.5	Very high	95.5	Very high	78 Å²	78	65.4 Å²	65.4	41%	0.408	31%	0.314	S	S	.	.	H	α-helix	trans	-63.9	-29.5	177.3	-71.7	171.9	0	0	0	113.7	K130 Y131 Q132	K130-L134 HydrophobicContact CG-CD1 4.39Å; K130-L134 WeakPolarHBondContact O-CB 3.3Å; K130-L134 VanDerWaalsContact O-CG 3.28Å; K130-L134 WeakPolarHBondContact O-CG 3.39Å; K130-L134 PolarHBondContact O-N 2.94Å; Y131-L134 PolarHBondContact O-N 2.93Å; Q132-L134 PolarHBondContact O-N 2.97Å
135	S	94.7	Very high	95.6	Very high	70 Å²	70	65.9 Å²	65.9	49%	0.49	31%	0.309	S	S	.	.	H	α-helix	trans	-77.4	-46	174.1	-176.7	0	0	0	0	112.3	Y131 Q132 R133 K138 R139	Y131-S135 WeakPolarHBondContact O-CB 3.38Å; Y131-S135 PolarHBondContact O-N 3.29Å; Q132-S135 WeakPolarHBondContact O-CB 3.45Å; Q132-S135 PolarHBondContact O-N 2.81Å; Q132-S135 VanDerWaalsContact O-N 3.14Å; R133-S135 VanDerWaalsContact C-N 3.28Å; R133-S135 PolarHBondContact O-N 3.02Å; S135-K138 PolarHBondContact O-N 3.28Å; S135-R139 PolarHBondContact O-N 3.4Å
136	V	96.3	Very high	95.7	Very high	19 Å²	19	66.3 Å²	66.3	12%	0.115	31%	0.313	C	S	.	.	H	α-helix	trans	-57.8	-48.8	174.7	167.4	0	0	0	0	110.9	Q132 R133 K138 R139 V140 T250 L251	Q132-V136 WeakPolarHBondContact O-CB 3.49Å; Q132-V136 WeakPolarHBondContact O-CG2 3.5Å; Q132-V136 PolarHBondContact O-N 3.36Å; R133-V136 PolarHBondContact O-N 2.97Å; V136-K138 VanDerWaalsContact C-N 3.32Å; V136-K138 PolarHBondContact O-N 3.35Å; V136-R139 PolarHBondContact O-N 3.29Å; V136-V140 HydrophobicContact CG1-CG2 3.86Å; V136-V140 WeakPolarHBondContact O-CG2 3.43Å; V136-V140 PolarHBondContact O-N 2.9Å; V136-T250 WeakPolarHBondContact CG1-O 3.5Å; V136-L251 HydrophobicContact CG1-CD1 4.38Å
137	N	96.1	Very high	95.7	Very high	36 Å²	36	68 Å²	68	19%	0.193	32%	0.322	C	S	.	.	H	α-helix	trans	-44.9	-52.5	175.2	-178.7	45.5	0	0	0	112.3	N32 R133 R139 V140 F141 L251	N32-N137 WeakPolarHBondContact ND2-CB 3.39Å; N32-N137 PolarHBondContact ND2-OD1 2.89Å; R133-N137 WeakPolarHBondContact O-CB 3.16Å; R133-N137 PolarHBondContact O-N 3.42Å; N137-R139 VanDerWaalsContact C-N 3.29Å; N137-R139 PolarHBondContact O-N 2.73Å; N137-V140 PolarHBondContact O-N 3.49Å; N137-F141 WeakPolarHBondContact O-CD2 3.48Å; N137-F141 PolarHBondContact O-N 2.88Å; N137-F141 WeakPolarHBondContact OD1-CD2 3.46Å; N137-F141 WeakPolarHBondContact OD1-CE2 3.42Å; N137-L251 HydrophobicContact CB-CD1 4.23Å
138	K	96.4	Very high	95.9	Very high	164 Å²	164	63.6 Å²	63.6	71%	0.713	30%	0.303	S	S	*	.	H	α-helix	trans	-61	-35.5	180	-69.4	180	-179.1	-177.1	0	113.2	S135 V136	S135-K138 PolarHBondContact O-N 3.28Å; V136-K138 VanDerWaalsContact C-N 3.32Å; V136-K138 PolarHBondContact O-N 3.35Å
139	R	96.3	Very high	95.9	Very high	145 Å²	145	61.7 Å²	61.7	55%	0.547	30%	0.297	S	S	.	.	H	α-helix	trans	-76.1	-47.3	179	-63.7	-171.5	-65.3	133.6	0.2	111.8	S135 V136 N137 F141 E142 Q143	S135-R139 PolarHBondContact O-N 3.4Å; V136-R139 PolarHBondContact O-N 3.29Å; N137-R139 VanDerWaalsContact C-N 3.29Å; N137-R139 PolarHBondContact O-N 2.73Å; R139-F141 PolarHBondContact O-N 3.39Å; R139-E142 PolarHBondContact O-N 2.52Å; R139-Q143 WeakPolarHBondContact O-CG 3.41Å; R139-Q143 PolarHBondContact O-N 2.96Å
140	V	97.2	Very high	96	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.006	32%	0.316	C	S	.	.	H	α-helix	trans	-62.5	-42.5	-178.6	173.6	0	0	0	0	111.5	V136 N137 E142 Q143 L144 L247 T250 L251	V136-V140 HydrophobicContact CG1-CG2 3.86Å; V136-V140 WeakPolarHBondContact O-CG2 3.43Å; V136-V140 PolarHBondContact O-N 2.9Å; N137-V140 PolarHBondContact O-N 3.49Å; V140-E142 VanDerWaalsContact C-N 3.31Å; V140-E142 PolarHBondContact O-N 2.94Å; V140-Q143 PolarHBondContact O-N 3.44Å; V140-L144 WeakPolarHBondContact O-CB 3.48Å; V140-L144 PolarHBondContact O-N 3.05Å; V140-L247 HydrophobicContact CG1-CB 4.11Å; V140-L247 HydrophobicContact CG1-CD2 4Å; V140-T250 HydrophobicContact CG2-CG2 3.8Å; V140-L251 HydrophobicContact CB-CD1 4.18Å; V140-L251 HydrophobicContact CG1-CB 4.23Å; V140-L251 HydrophobicContact CG1-CD1 4.32Å; V140-L251 HydrophobicContact CG2-CB 4.45Å; V140-L251 HydrophobicContact CG2-CD1 4.38Å
141	F	97.4	Very high	96.2	Very high	9 Å²	9	62.8 Å²	62.8	4%	0.039	31%	0.306	C	S	.	.	H	α-helix	trans	-72.8	-20.2	177.7	-79.4	-76.6	0	0	0	114.1	Y25 L28 Q29 N137 R139 L144 K145 L251	Y25-F141 HydrophobicContact CD1-CD1 4.26Å; Y25-F141 HydrophobicContact CD1-CE1 4.36Å; Y25-F141 AromaticContact CD2-CD1 3.83Å; Y25-F141 HydrophobicContact CD2-CD1 3.83Å; Y25-F141 HydrophobicContact CD2-CE1 4.39Å; Y25-F141 HydrophobicContact CE1-CD1 4.01Å; Y25-F141 HydrophobicContact CE1-CE1 4.44Å; Y25-F141 HydrophobicContact CE2-CB 4.18Å; Y25-F141 AromaticContact CE2-CD1 3.56Å; Y25-F141 HydrophobicContact CE2-CD1 3.56Å; Y25-F141 HydrophobicContact CE2-CE1 4.47Å; Y25-F141 HydrophobicContact CE2-CG 4.31Å; Y25-F141 HydrophobicContact CG-CD1 4.17Å; Y25-F141 HydrophobicContact CG-CE1 4.32Å; Y25-F141 AromaticContact CZ-CD1 3.65Å; L28-F141 HydrophobicContact CB-CE1 4.15Å; L28-F141 HydrophobicContact CB-CZ 3.95Å; L28-F141 HydrophobicContact CD2-CE1 4.12Å; L28-F141 HydrophobicContact CD2-CZ 3.95Å; L28-F141 HydrophobicContact CG-CE1 4.26Å; L28-F141 HydrophobicContact CG-CZ 3.76Å; Q29-F141 VanDerWaalsContact CA-CZ 3.47Å; Q29-F141 HydrophobicContact CB-CE1 4Å; Q29-F141 HydrophobicContact CB-CE2 4.47Å; Q29-F141 HydrophobicContact CB-CZ 3.8Å; N137-F141 WeakPolarHBondContact O-CD2 3.48Å; N137-F141 PolarHBondContact O-N 2.88Å; N137-F141 WeakPolarHBondContact OD1-CD2 3.46Å; N137-F141 WeakPolarHBondContact OD1-CE2 3.42Å; R139-F141 PolarHBondContact O-N 3.39Å; F141-L144 HydrophobicContact CD1-CD2 3.93Å; F141-L144 HydrophobicContact CE1-CD2 3.93Å; F141-K145 WeakPolarHBondContact O-CG 3.23Å; F141-K145 PolarHBondContact O-N 3.33Å; F141-L251 HydrophobicContact CE2-CD1 4.24Å; F141-L251 HydrophobicContact CE2-CD2 3.86Å; F141-L251 HydrophobicContact CZ-CD2 4.14Å
142	E	96.9	Very high	96.3	Very high	99 Å²	99	55.9 Å²	55.9	46%	0.463	28%	0.28	S	S	.	.	H	α-helix	trans	-77.6	-41.5	169.4	-154.2	62.1	-147.8	0	0	111.1	R139 V140 L144 K145 I146	R139-E142 PolarHBondContact O-N 2.52Å; V140-E142 VanDerWaalsContact C-N 3.31Å; V140-E142 PolarHBondContact O-N 2.94Å; E142-L144 VanDerWaalsContact C-N 3.32Å; E142-L144 PolarHBondContact O-N 3.27Å; E142-K145 WeakPolarHBondContact O-CB 3.35Å; E142-K145 PolarHBondContact O-N 3.29Å; E142-K145 IonicContact OE1-NZ 3.96Å; E142-K145 IonicContact OE2-NZ 3.1Å; E142-K145 PolarHBondContact OE2-NZ 3.37Å; E142-I146 WeakPolarHBondContact O-CG1 3.4Å; E142-I146 PolarHBondContact O-N 3.22Å; E142-I146 VanDerWaalsContact O-N 3.15Å
143	Q	96.9	Very high	96.4	Very high	93 Å²	93	54.2 Å²	54.2	44%	0.435	28%	0.28	S	S	.	.	H	α-helix	trans	-59.4	-41.6	171.9	-70.3	174.6	-52.4	0	0	111.9	R139 V140 K145 I146 L147 L247	R139-Q143 WeakPolarHBondContact O-CG 3.41Å; R139-Q143 PolarHBondContact O-N 2.96Å; V140-Q143 PolarHBondContact O-N 3.44Å; Q143-K145 VanDerWaalsContact C-N 3.34Å; Q143-K145 PolarHBondContact O-N 2.88Å; Q143-I146 PolarHBondContact O-N 3.26Å; Q143-L147 PolarHBondContact O-N 2.8Å; Q143-L247 HydrophobicContact CB-CD2 3.96Å
144	L	97.5	Very high	96.4	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.5	-40.7	175.6	-178.1	62	0	0	0	112.1	Y25 L28 V140 F141 E142 I146 Q148 Y239 L244 L247	Y25-L144 HydrophobicContact CD2-CD2 3.92Å; Y25-L144 HydrophobicContact CD2-CG 4.49Å; Y25-L144 HydrophobicContact CG-CD2 4.39Å; L28-L144 HydrophobicContact CD2-CD2 4.2Å; V140-L144 WeakPolarHBondContact O-CB 3.48Å; V140-L144 PolarHBondContact O-N 3.05Å; F141-L144 HydrophobicContact CD1-CD2 3.93Å; F141-L144 HydrophobicContact CE1-CD2 3.93Å; E142-L144 VanDerWaalsContact C-N 3.32Å; E142-L144 PolarHBondContact O-N 3.27Å; L144-I146 VanDerWaalsContact C-N 3.34Å; L144-I146 PolarHBondContact O-N 3.36Å; L144-Q148 HydrophobicContact CD1-CG 4.01Å; L144-Q148 HydrophobicContact CG-CG 4.31Å; L144-Q148 WeakPolarHBondContact O-CB 3.4Å; L144-Q148 WeakPolarHBondContact O-CG 3.17Å; L144-Q148 PolarHBondContact O-N 2.89Å; L144-Y239 HydrophobicContact CD1-CE2 4.37Å; L144-L244 HydrophobicContact CD1-CD2 4.17Å; L144-L247 HydrophobicContact CB-CD1 4.19Å; L144-L247 HydrophobicContact CD1-CD1 3.77Å
145	K	97.2	Very high	96.6	Very high	90 Å²	90	52.6 Å²	52.6	39%	0.391	28%	0.275	S	S	.	.	H	α-helix	trans	-63.7	-38.7	175.6	-69.6	166.9	-163	168.1	0	112.4	Y25 F141 E142 Q143 G149	Y25-K145 HydrophobicContact CE2-CG 4.07Å; F141-K145 WeakPolarHBondContact O-CG 3.23Å; F141-K145 PolarHBondContact O-N 3.33Å; E142-K145 WeakPolarHBondContact O-CB 3.35Å; E142-K145 PolarHBondContact O-N 3.29Å; E142-K145 IonicContact OE1-NZ 3.96Å; E142-K145 IonicContact OE2-NZ 3.1Å; E142-K145 PolarHBondContact OE2-NZ 3.37Å; Q143-K145 VanDerWaalsContact C-N 3.34Å; Q143-K145 PolarHBondContact O-N 2.88Å; K145-G149 PolarHBondContact O-N 2.81Å
146	I	97.3	Very high	96.6	Very high	98 Å²	98	53.3 Å²	53.3	50%	0.503	27%	0.271	S	S	.	.	H	α-helix	trans	-63.2	-55.9	178.6	-66.1	165.7	0	0	0	109.1	E142 Q143 L144 Q148 G149 D150	E142-I146 WeakPolarHBondContact O-CG1 3.4Å; E142-I146 PolarHBondContact O-N 3.22Å; E142-I146 VanDerWaalsContact O-N 3.15Å; Q143-I146 PolarHBondContact O-N 3.26Å; L144-I146 VanDerWaalsContact C-N 3.34Å; L144-I146 PolarHBondContact O-N 3.36Å; I146-Q148 VanDerWaalsContact C-N 3.33Å; I146-Q148 PolarHBondContact O-N 2.99Å; I146-G149 CarbonylContact O-C 3.58Å; I146-G149 VanDerWaalsContact O-CA 3.32Å; I146-G149 WeakPolarHBondContact O-CA 3.48Å; I146-G149 PolarHBondContact O-N 2.81Å; I146-D150 PolarHBondContact O-N 3.23Å
147	L	96.6	Very high	96.6	Very high	39 Å²	39	56.1 Å²	56.1	20%	0.204	28%	0.283	C	S	.	.	H	α-helix	trans	-57.5	-43.5	178.1	-70.1	160.5	0	0	0	112.4	Q143 G149 D150 L151 D243 L247	Q143-L147 PolarHBondContact O-N 2.8Å; L147-G149 VanDerWaalsContact C-N 3.25Å; L147-G149 PolarHBondContact O-N 2.93Å; L147-D150 PolarHBondContact O-N 3.31Å; L147-L151 VanDerWaalsContact O-CB 3.24Å; L147-L151 WeakPolarHBondContact O-CB 3.34Å; L147-L151 PolarHBondContact O-N 2.96Å; L147-D243 HydrophobicContact CD1-CB 4.26Å; L147-L247 HydrophobicContact CD1-CD1 3.85Å; L147-L247 HydrophobicContact CD1-CD2 4.48Å; L147-L247 HydrophobicContact CD1-CG 4.45Å
148	Q	96.8	Very high	96.5	Very high	19 Å²	19	55.5 Å²	55.5	9%	0.089	28%	0.279	C	S	.	.	H	α-helix	trans	-67.3	-24.5	175	-74.2	-175.1	-9.6	0	0	113.5	H21 L144 I146 A152 Y239	H21-Q148 HydrophobicContact CB-CB 4.45Å; H21-Q148 HydrophobicContact CB-CG 4.12Å; H21-Q148 WeakPolarHBondContact ND1-CB 3.27Å; H21-Q148 PolarHBondContact ND1-O 3.48Å; H21-Q148 PolarHBondContact O-NE2 2.98Å; H21-Q148 VanDerWaalsContact O-NE2 3.07Å; L144-Q148 HydrophobicContact CD1-CG 4.01Å; L144-Q148 HydrophobicContact CG-CG 4.31Å; L144-Q148 WeakPolarHBondContact O-CB 3.4Å; L144-Q148 WeakPolarHBondContact O-CG 3.17Å; L144-Q148 PolarHBondContact O-N 2.89Å; I146-Q148 VanDerWaalsContact C-N 3.33Å; I146-Q148 PolarHBondContact O-N 2.99Å; Q148-A152 VanDerWaalsContact O-CB 3.24Å; Q148-A152 WeakPolarHBondContact O-CB 3.4Å; Q148-A152 PolarHBondContact O-N 2.88Å; Q148-Y239 HydrophobicContact CG-CE2 4.1Å; Q148-Y239 PolarHBondContact NE2-OH 2.72Å
149	G	96.8	Very high	96.5	Very high	37 Å²	37	50.6 Å²	50.6	38%	0.381	26%	0.263	S	S	.	.	H	α-helix	trans	-77	-47.3	174.1	0	0	0	0	0	112.4	K145 I146 L147 A152 A153	K145-G149 PolarHBondContact O-N 2.81Å; I146-G149 CarbonylContact O-C 3.58Å; I146-G149 VanDerWaalsContact O-CA 3.32Å; I146-G149 WeakPolarHBondContact O-CA 3.48Å; I146-G149 PolarHBondContact O-N 2.81Å; L147-G149 VanDerWaalsContact C-N 3.25Å; L147-G149 PolarHBondContact O-N 2.93Å; G149-A152 CarbonylContact O-C 3.59Å; G149-A152 WeakPolarHBondContact O-CA 3.44Å; G149-A152 WeakPolarHBondContact O-CB 3.24Å; G149-A152 PolarHBondContact O-N 3.47Å; G149-A152 VanDerWaalsContact O-N 3.12Å; G149-A153 PolarHBondContact O-N 3.34Å
150	D	96.8	Very high	96.5	Very high	84 Å²	84	49.1 Å²	49.1	45%	0.449	26%	0.26	S	S	.	.	H	α-helix	trans	-61.4	-46	177	-64.8	-33.2	0	0	0	110.9	I146 L147 A152 A153 C154	I146-D150 PolarHBondContact O-N 3.23Å; L147-D150 PolarHBondContact O-N 3.31Å; D150-A152 VanDerWaalsContact C-N 3.27Å; D150-A152 PolarHBondContact O-N 3.49Å; D150-A153 WeakPolarHBondContact O-CA 3.37Å; D150-A153 WeakPolarHBondContact O-CB 3.41Å; D150-A153 PolarHBondContact O-N 3.47Å; D150-C154 PolarHBondContact O-N 3Å; D150-C154 PolarHBondContact O-SG 3.18Å
151	L	96.5	Very high	96.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-34.1	174.7	-173.8	59.4	0	0	0	112.1	L17 H21 L147 V155 I232 H235 L236 Y239	L17-L151 HydrophobicContact CD1-CG 4.44Å; L17-L151 HydrophobicContact CD2-CG 4.41Å; H21-L151 WeakPolarHBondContact NE2-CD2 3.43Å; L147-L151 VanDerWaalsContact O-CB 3.24Å; L147-L151 WeakPolarHBondContact O-CB 3.34Å; L147-L151 PolarHBondContact O-N 2.96Å; L151-V155 PolarHBondContact O-N 3.47Å; L151-I232 HydrophobicContact CD1-CD1 3.52Å; L151-H235 HydrophobicContact CD1-CB 4.07Å; L151-L236 HydrophobicContact CD1-CD2 4Å; L151-L236 HydrophobicContact CD1-CG 4.08Å; L151-L236 HydrophobicContact CD2-CD2 3.97Å; L151-L236 HydrophobicContact CG-CD2 4.31Å; L151-Y239 HydrophobicContact CD2-CD1 4.15Å; L151-Y239 HydrophobicContact CD2-CD2 3.91Å; L151-Y239 HydrophobicContact CD2-CE2 4.43Å; L151-Y239 HydrophobicContact CD2-CG 3.76Å
152	A	96.4	Very high	96.5	Very high	8 Å²	8	53.5 Å²	53.5	7%	0.066	28%	0.282	C	S	.	.	H	α-helix	trans	-74.7	-20.5	171.9	0	0	0	0	0	113.8	L14 L17 Q148 G149 D150 Q156	L14-A152 HydrophobicContact CD1-CB 4.01Å; L14-A152 WeakPolarHBondContact CD1-O 3.49Å; L17-A152 HydrophobicContact CD2-CB 3.98Å; Q148-A152 VanDerWaalsContact O-CB 3.24Å; Q148-A152 WeakPolarHBondContact O-CB 3.4Å; Q148-A152 PolarHBondContact O-N 2.88Å; G149-A152 CarbonylContact O-C 3.59Å; G149-A152 WeakPolarHBondContact O-CA 3.44Å; G149-A152 WeakPolarHBondContact O-CB 3.24Å; G149-A152 PolarHBondContact O-N 3.47Å; G149-A152 VanDerWaalsContact O-N 3.12Å; D150-A152 VanDerWaalsContact C-N 3.27Å; D150-A152 PolarHBondContact O-N 3.49Å; A152-Q156 WeakPolarHBondContact O-CG 3.23Å; A152-Q156 PolarHBondContact O-N 3.47Å; A152-Q156 PolarHBondContact O-NE2 3.16Å
153	A	96.2	Very high	96.4	Very high	44 Å²	44	56.6 Å²	56.6	36%	0.364	29%	0.293	S	S	.	.	H	α-helix	trans	-75.6	-44	169.1	0	0	0	0	0	110.8	G149 D150 V155 Q156 E157	G149-A153 PolarHBondContact O-N 3.34Å; D150-A153 WeakPolarHBondContact O-CA 3.37Å; D150-A153 WeakPolarHBondContact O-CB 3.41Å; D150-A153 PolarHBondContact O-N 3.47Å; A153-V155 VanDerWaalsContact C-N 3.32Å; A153-V155 PolarHBondContact O-N 2.85Å; A153-Q156 WeakPolarHBondContact O-CA 3.42Å; A153-Q156 WeakPolarHBondContact O-CB 3.26Å; A153-Q156 PolarHBondContact O-N 3.04Å; A153-E157 PolarHBondContact O-N 2.76Å
154	C	95.6	Very high	96.4	Very high	42 Å²	42	56.1 Å²	56.1	28%	0.284	30%	0.297	S	S	.	.	H	α-helix	trans	-55.9	-43	173.4	-65.7	0	0	0	0	112.5	D150 Q156 E157 M158 I232 H235	D150-C154 PolarHBondContact O-N 3Å; D150-C154 PolarHBondContact O-SG 3.18Å; C154-Q156 VanDerWaalsContact C-N 3.28Å; C154-Q156 PolarHBondContact O-N 2.72Å; C154-E157 PolarHBondContact O-N 2.57Å; C154-M158 PolarHBondContact O-N 3.44Å; C154-I232 HydrophobicContact CB-CD1 3.67Å; C154-H235 PolarHBondContact SG-ND1 3.4Å
155	V	96.3	Very high	96.5	Very high	8 Å²	8	58.7 Å²	58.7	5%	0.048	31%	0.307	C	S	.	.	H	α-helix	trans	-64.8	-29.9	174	172.4	0	0	0	0	112.7	P13 L14 L17 L151 A153 M158 V159 I232	P13-V155 HydrophobicContact CB-CG1 4.11Å; L14-V155 HydrophobicContact CB-CG1 4.06Å; L14-V155 HydrophobicContact CD1-CB 4.42Å; L14-V155 HydrophobicContact CD1-CG1 4.26Å; L17-V155 HydrophobicContact CD2-CB 4.34Å; L17-V155 HydrophobicContact CD2-CG2 3.85Å; L151-V155 PolarHBondContact O-N 3.47Å; A153-V155 VanDerWaalsContact C-N 3.32Å; A153-V155 PolarHBondContact O-N 2.85Å; V155-M158 HydrophobicContact CG1-CE 4.45Å; V155-V159 HydrophobicContact CG1-CG2 4.37Å; V155-V159 WeakPolarHBondContact O-CB 3.17Å; V155-V159 VanDerWaalsContact O-CG2 3.25Å; V155-V159 WeakPolarHBondContact O-CG2 3.17Å; V155-V159 PolarHBondContact O-N 3.48Å; V155-I232 HydrophobicContact CG2-CD1 3.53Å; V155-I232 HydrophobicContact CG2-CG1 3.83Å
156	Q	95.8	Very high	96.5	Very high	85 Å²	85	56.7 Å²	56.7	40%	0.397	31%	0.307	S	S	.	.	H	α-helix	trans	-70	-41.7	175	-77	169.9	85.5	0	0	112.2	L14 A152 A153 C154 V159 K160	L14-Q156 HydrophobicContact CD1-CG 4.08Å; L14-Q156 HydrophobicContact CD2-CG 3.68Å; L14-Q156 HydrophobicContact CG-CG 4.49Å; A152-Q156 WeakPolarHBondContact O-CG 3.23Å; A152-Q156 PolarHBondContact O-N 3.47Å; A152-Q156 PolarHBondContact O-NE2 3.16Å; A153-Q156 WeakPolarHBondContact O-CA 3.42Å; A153-Q156 WeakPolarHBondContact O-CB 3.26Å; A153-Q156 PolarHBondContact O-N 3.04Å; C154-Q156 VanDerWaalsContact C-N 3.28Å; C154-Q156 PolarHBondContact O-N 2.72Å; Q156-V159 PolarHBondContact O-N 3.2Å; Q156-K160 WeakPolarHBondContact O-CD 3.07Å; Q156-K160 VanDerWaalsContact O-CG 3.3Å; Q156-K160 WeakPolarHBondContact O-CG 3.48Å; Q156-K160 PolarHBondContact O-N 3.34Å
157	E	94.7	Very high	96.4	Very high	78 Å²	78	55.8 Å²	55.8	36%	0.364	30%	0.301	S	S	.	.	H	α-helix	trans	-66.4	-41.2	174.9	-57	-38.4	121.1	0	0	112	A153 C154 V159 K160 S161	A153-E157 PolarHBondContact O-N 2.76Å; C154-E157 PolarHBondContact O-N 2.57Å; E157-V159 PolarHBondContact O-N 2.73Å; E157-K160 PolarHBondContact O-N 3.19Å; E157-K160 IonicContact OE1-NZ 3.66Å; E157-K160 PolarHBondContact OE1-NZ 3.25Å; E157-K160 WeakPolarHBondContact OE2-CD 3.32Å; E157-K160 IonicContact OE2-NZ 2.74Å; E157-K160 PolarHBondContact OE2-NZ 2.93Å; E157-S161 WeakPolarHBondContact O-CB 3.37Å; E157-S161 PolarHBondContact O-N 3.01Å
158	M	95.8	Very high	96.4	Very high	22 Å²	22	55.8 Å²	55.8	11%	0.108	30%	0.3	C	S	.	.	H	α-helix	trans	-56.9	-46	171.6	-174.5	-153.5	69.5	0	0	112	P13 C154 V155 S161 H162 Y225 Q228 L229 I232	P13-M158 HydrophobicContact CB-CE 4.2Å; P13-M158 HydrophobicContact CG-CE 4.43Å; C154-M158 PolarHBondContact O-N 3.44Å; V155-M158 HydrophobicContact CG1-CE 4.45Å; M158-S161 PolarHBondContact O-N 2.84Å; M158-H162 WeakPolarHBondContact O-CB 3.19Å; M158-H162 PolarHBondContact O-N 3.23Å; M158-Y225 HydrophobicContact CG-CE2 4.02Å; M158-Q228 HydrophobicContact CB-CB 4.3Å; M158-L229 HydrophobicContact SD-CD1 4.04Å; M158-I232 HydrophobicContact CG-CG2 4.4Å; M158-I232 HydrophobicContact SD-CG2 3.84Å
159	V	96.3	Very high	96.4	Very high	62 Å²	62	56 Å²	56	38%	0.376	30%	0.301	S	S	.	.	H	α-helix	trans	-68	-35.7	178.8	168.3	0	0	0	0	112.4	P13 V155 Q156 E157 K163	P13-V159 HydrophobicContact CB-CG2 4.4Å; P13-V159 HydrophobicContact CG-CG2 4.39Å; V155-V159 HydrophobicContact CG1-CG2 4.37Å; V155-V159 WeakPolarHBondContact O-CB 3.17Å; V155-V159 VanDerWaalsContact O-CG2 3.25Å; V155-V159 WeakPolarHBondContact O-CG2 3.17Å; V155-V159 PolarHBondContact O-N 3.48Å; Q156-V159 PolarHBondContact O-N 3.2Å; E157-V159 PolarHBondContact O-N 2.73Å; V159-K163 PolarHBondContact O-N 3.11Å
160	K	96.4	Very high	96.4	Very high	114 Å²	114	58.5 Å²	58.5	50%	0.496	30%	0.301	S	S	.	.	H	α-helix	trans	-63.3	-49.8	171.5	-74.2	159.5	167.7	178	0	110.9	Q156 E157 K163 V164	Q156-K160 WeakPolarHBondContact O-CD 3.07Å; Q156-K160 VanDerWaalsContact O-CG 3.3Å; Q156-K160 WeakPolarHBondContact O-CG 3.48Å; Q156-K160 PolarHBondContact O-N 3.34Å; E157-K160 PolarHBondContact O-N 3.19Å; E157-K160 IonicContact OE1-NZ 3.66Å; E157-K160 PolarHBondContact OE1-NZ 3.25Å; E157-K160 WeakPolarHBondContact OE2-CD 3.32Å; E157-K160 IonicContact OE2-NZ 2.74Å; E157-K160 PolarHBondContact OE2-NZ 2.93Å; K160-K163 WeakPolarHBondContact O-CB 3.47Å; K160-K163 PolarHBondContact O-N 3.47Å; K160-K163 VanDerWaalsContact O-N 3.1Å; K160-V164 PolarHBondContact O-N 2.82Å; K160-V164 VanDerWaalsContact O-N 3.09Å
161	S	96.1	Very high	96.4	Very high	10 Å²	10	57.3 Å²	57.3	7%	0.07	29%	0.293	C	S	.	.	H	α-helix	trans	-61.3	-45.6	-179.4	-174	0	0	0	0	112	E157 M158 K163 V164 Y165 Y225	E157-S161 WeakPolarHBondContact O-CB 3.37Å; E157-S161 PolarHBondContact O-N 3.01Å; M158-S161 PolarHBondContact O-N 2.84Å; S161-K163 VanDerWaalsContact C-N 3.27Å; S161-K163 PolarHBondContact O-N 3.09Å; S161-V164 PolarHBondContact O-N 3.24Å; S161-V164 VanDerWaalsContact O-N 3.07Å; S161-Y165 PolarHBondContact O-N 2.96Å; S161-Y225 WeakPolarHBondContact OG-CA 3.45Å; S161-Y225 PolarHBondContact OG-N 3.1Å; S161-Y225 VanDerWaalsContact OG-N 3.11Å
162	H	96.9	Very high	96.4	Very high	92 Å²	92	57.3 Å²	57.3	43%	0.426	29%	0.293	S	S	.	.	H	α-helix	trans	-53.8	-41.6	171.8	178.8	-93.1	0	0	0	112.7	M158 Y165 A166 Y225	M158-H162 WeakPolarHBondContact O-CB 3.19Å; M158-H162 PolarHBondContact O-N 3.23Å; H162-Y165 PolarHBondContact O-N 3.09Å; H162-A166 WeakPolarHBondContact O-CB 3.39Å; H162-A166 PolarHBondContact O-N 2.91Å; H162-Y225 HydrophobicContact CB-CD2 3.72Å; H162-Y225 HydrophobicContact CB-CE2 3.62Å; H162-Y225 AromaticContact CD2-CE2 3.93Å; H162-Y225 AromaticContact CD2-CZ 3.77Å
163	K	96.5	Very high	96.3	Very high	163 Å²	163	61.6 Å²	61.6	71%	0.709	31%	0.312	S	S	*	.	H	α-helix	trans	-66	-39.7	177.5	-173.7	-170.8	173.1	-168.5	0	112.2	V159 K160 S161 E167	V159-K163 PolarHBondContact O-N 3.11Å; K160-K163 WeakPolarHBondContact O-CB 3.47Å; K160-K163 PolarHBondContact O-N 3.47Å; K160-K163 VanDerWaalsContact O-N 3.1Å; S161-K163 VanDerWaalsContact C-N 3.27Å; S161-K163 PolarHBondContact O-N 3.09Å; K163-E167 PolarHBondContact O-N 2.84Å
164	V	97.1	Very high	96.3	Very high	83 Å²	83	63.3 Å²	63.3	50%	0.503	31%	0.312	S	S	.	.	H	α-helix	trans	-65.5	-47	176	177.7	0	0	0	0	110.1	K160 S161 A166 E167 E168 A221	K160-V164 PolarHBondContact O-N 2.82Å; K160-V164 VanDerWaalsContact O-N 3.09Å; S161-V164 PolarHBondContact O-N 3.24Å; S161-V164 VanDerWaalsContact O-N 3.07Å; V164-A166 PolarHBondContact O-N 2.59Å; V164-E167 PolarHBondContact O-N 2.79Å; V164-E168 HydrophobicContact CG1-CG 4.43Å; V164-E168 PolarHBondContact O-N 2.88Å; V164-A221 HydrophobicContact CG1-CB 4.07Å
165	Y	97.9	Very high	96.3	Very high	54 Å²	54	61.9 Å²	61.9	21%	0.212	30%	0.302	C	S	.	.	H	α-helix	trans	-56.1	-48.4	175.6	172.1	-126.8	0	0	0	112.4	S161 H162 E167 E168 E169 R222 Y225	S161-Y165 PolarHBondContact O-N 2.96Å; H162-Y165 PolarHBondContact O-N 3.09Å; Y165-E167 VanDerWaalsContact C-N 3.32Å; Y165-E167 PolarHBondContact O-N 3.35Å; Y165-E168 PolarHBondContact O-N 3.12Å; Y165-E169 HydrophobicContact CD2-CB 4.25Å; Y165-E169 HydrophobicContact CE2-CB 3.85Å; Y165-E169 HydrophobicContact CE2-CG 4.29Å; Y165-E169 VanDerWaalsContact O-CB 3.27Å; Y165-E169 WeakPolarHBondContact O-CB 3.23Å; Y165-E169 PolarHBondContact O-N 3.34Å; Y165-R222 HydrophobicContact CD2-CB 3.7Å; Y165-R222 HydrophobicContact CD2-CG 4.3Å; Y165-R222 HydrophobicContact CE2-CB 3.52Å; Y165-R222 HydrophobicContact CE2-CG 3.78Å; Y165-R222 PolarHBondContact OH-NE 3.27Å; Y165-Y225 HydrophobicContact CD1-CD1 4.14Å
166	A	96.9	Very high	96.3	Very high	49 Å²	49	64.4 Å²	64.4	41%	0.405	31%	0.311	S	S	.	.	H	α-helix	trans	-61.5	-36.5	-178.4	0	0	0	0	0	113.4	H162 V164 K170	H162-A166 WeakPolarHBondContact O-CB 3.39Å; H162-A166 PolarHBondContact O-N 2.91Å; V164-A166 PolarHBondContact O-N 2.59Å; A166-K170 VanDerWaalsContact O-CB 3.25Å; A166-K170 WeakPolarHBondContact O-CB 3.3Å; A166-K170 PolarHBondContact O-N 3.09Å; A166-K170 VanDerWaalsContact O-N 3.17Å
167	E	97.1	Very high	96.2	Very high	79 Å²	79	66 Å²	66	37%	0.369	32%	0.321	S	S	.	.	H	α-helix	trans	-80.8	-41.2	179.5	-176.1	55.4	-141.1	0	0	112.4	K163 V164 Y165 K170 Q171	K163-E167 PolarHBondContact O-N 2.84Å; V164-E167 PolarHBondContact O-N 2.79Å; Y165-E167 VanDerWaalsContact C-N 3.32Å; Y165-E167 PolarHBondContact O-N 3.35Å; E167-K170 PolarHBondContact O-N 3.19Å; E167-K170 IonicContact OE1-NZ 2.73Å; E167-K170 PolarHBondContact OE1-NZ 2.84Å; E167-K170 IonicContact OE2-NZ 2.74Å; E167-K170 PolarHBondContact OE2-NZ 3.2Å; E167-Q171 WeakPolarHBondContact O-CG 3.28Å; E167-Q171 PolarHBondContact O-N 2.83Å; E167-Q171 PolarHBondContact OE1-NE2 3.31Å
168	E	96.1	Very high	96.2	Very high	38 Å²	38	67.2 Å²	67.2	18%	0.178	33%	0.326	C	S	.	.	H	α-helix	trans	-66.1	-39.5	175.5	-74.4	-73.4	175.2	0	0	111.9	V164 Y165 Q171 A172 R217 A221	V164-E168 HydrophobicContact CG1-CG 4.43Å; V164-E168 PolarHBondContact O-N 2.88Å; Y165-E168 PolarHBondContact O-N 3.12Å; E168-Q171 PolarHBondContact O-N 3.34Å; E168-A172 WeakPolarHBondContact O-CB 3.19Å; E168-A172 PolarHBondContact O-N 3.37Å; E168-R217 HydrophobicContact CG-CB 4.39Å; E168-R217 IonicContact OE1-NH1 3.16Å; E168-R217 WeakPolarHBondContact OE2-CB 3.39Å; E168-R217 WeakPolarHBondContact OE2-CD 3.49Å; E168-A221 HydrophobicContact CB-CB 4.36Å
169	E	96.9	Very high	96.1	Very high	24 Å²	24	66.5 Å²	66.5	11%	0.112	32%	0.322	C	S	.	.	H	α-helix	trans	-68.9	-35	174.3	174.6	54.4	-163.6	0	0	112.3	Y165 A172 Q173 R176 S218 R222	Y165-E169 HydrophobicContact CD2-CB 4.25Å; Y165-E169 HydrophobicContact CE2-CB 3.85Å; Y165-E169 HydrophobicContact CE2-CG 4.29Å; Y165-E169 VanDerWaalsContact O-CB 3.27Å; Y165-E169 WeakPolarHBondContact O-CB 3.23Å; Y165-E169 PolarHBondContact O-N 3.34Å; E169-A172 PolarHBondContact O-N 2.86Å; E169-Q173 WeakPolarHBondContact O-CB 3.41Å; E169-Q173 VanDerWaalsContact O-CG 3.27Å; E169-Q173 WeakPolarHBondContact O-CG 3.46Å; E169-Q173 PolarHBondContact O-N 3.02Å; E169-Q173 WeakPolarHBondContact OE1-CG 3.2Å; E169-Q173 PolarHBondContact OE1-NE2 3.38Å; E169-R176 IonicContact OE1-CZ 3.42Å; E169-R176 IonicContact OE1-NH1 2.64Å; E169-R176 PolarHBondContact OE1-NH1 2.98Å; E169-R176 IonicContact OE1-NH2 2.67Å; E169-R176 IonicContact OE2-CZ 2.71Å; E169-R176 IonicContact OE2-NH1 2.79Å; E169-R176 PolarHBondContact OE2-NH1 3.21Å; E169-R176 IonicContact OE2-NH2 3.64Å; E169-R176 PolarHBondContact OE2-NH2 3.19Å; E169-S218 WeakPolarHBondContact OE2-CB 3.4Å; E169-S218 PolarHBondContact OE2-OG 3.26Å; E169-R222 IonicContact OE2-NH2 3.75Å; E169-R222 PolarHBondContact OE2-NH2 3.07Å
170	K	96.7	Very high	95.9	Very high	89 Å²	89	68.4 Å²	68.4	39%	0.387	33%	0.33	S	S	.	.	H	α-helix	trans	-61.3	-46.2	170	165.5	172.6	152.1	-90.6	0	111.8	A166 E167 A172 Q173 E174	A166-K170 VanDerWaalsContact O-CB 3.25Å; A166-K170 WeakPolarHBondContact O-CB 3.3Å; A166-K170 PolarHBondContact O-N 3.09Å; A166-K170 VanDerWaalsContact O-N 3.17Å; E167-K170 PolarHBondContact O-N 3.19Å; E167-K170 IonicContact OE1-NZ 2.73Å; E167-K170 PolarHBondContact OE1-NZ 2.84Å; E167-K170 IonicContact OE2-NZ 2.74Å; E167-K170 PolarHBondContact OE2-NZ 3.2Å; K170-A172 VanDerWaalsContact C-N 3.31Å; K170-A172 PolarHBondContact O-N 3.38Å; K170-Q173 PolarHBondContact O-N 3.4Å; K170-E174 PolarHBondContact O-N 3.42Å
171	Q	95.9	Very high	95.7	Very high	60 Å²	60	65.6 Å²	65.6	28%	0.28	33%	0.328	S	S	.	.	H	α-helix	trans	-64.9	-35.3	177.2	-70.2	178.1	32.8	0	0	112.2	E167 E168 T175 F214	E167-Q171 WeakPolarHBondContact O-CG 3.28Å; E167-Q171 PolarHBondContact O-N 2.83Å; E167-Q171 PolarHBondContact OE1-NE2 3.31Å; E168-Q171 PolarHBondContact O-N 3.34Å; Q171-T175 WeakPolarHBondContact O-CB 3.47Å; Q171-T175 PolarHBondContact O-N 2.81Å; Q171-T175 PolarHBondContact O-OG1 2.9Å; Q171-F214 HydrophobicContact CB-CD1 3.91Å; Q171-F214 HydrophobicContact CB-CE1 3.99Å; Q171-F214 HydrophobicContact CB-CG 4.5Å; Q171-F214 VanDerWaalsContact OE1-CE1 3.28Å
172	A	96.2	Very high	95.4	Very high	0 Å²	0	66 Å²	66	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64.6	-48.8	171.1	0	0	0	0	0	111.8	E168 E169 K170 E174 T175 R176 F214	E168-A172 WeakPolarHBondContact O-CB 3.19Å; E168-A172 PolarHBondContact O-N 3.37Å; E169-A172 PolarHBondContact O-N 2.86Å; K170-A172 VanDerWaalsContact C-N 3.31Å; K170-A172 PolarHBondContact O-N 3.38Å; A172-E174 PolarHBondContact O-N 3.37Å; A172-T175 CarbonylContact O-C 3.41Å; A172-T175 PolarHBondContact O-N 2.88Å; A172-T175 VanDerWaalsContact O-N 3.12Å; A172-R176 VanDerWaalsContact CB-NH2 3.31Å; A172-R176 VanDerWaalsContact O-CG 3.26Å; A172-R176 WeakPolarHBondContact O-CG 3.46Å; A172-R176 PolarHBondContact O-N 3.42Å; A172-F214 HydrophobicContact CB-CB 3.94Å
173	Q	95.8	Very high	95.1	Very high	98 Å²	98	66.9 Å²	66.9	46%	0.458	33%	0.334	S	S	.	.	H	α-helix	trans	-58.4	-48.3	176.6	-73.8	173.8	15.1	0	0	112.6	E169 K170 T175 R176 L177	E169-Q173 WeakPolarHBondContact O-CB 3.41Å; E169-Q173 VanDerWaalsContact O-CG 3.27Å; E169-Q173 WeakPolarHBondContact O-CG 3.46Å; E169-Q173 PolarHBondContact O-N 3.02Å; E169-Q173 WeakPolarHBondContact OE1-CG 3.2Å; E169-Q173 PolarHBondContact OE1-NE2 3.38Å; K170-Q173 PolarHBondContact O-N 3.4Å; Q173-T175 VanDerWaalsContact C-N 3.26Å; Q173-T175 PolarHBondContact O-N 3.32Å; Q173-R176 PolarHBondContact O-N 2.9Å; Q173-L177 WeakPolarHBondContact O-CG 3.47Å; Q173-L177 PolarHBondContact O-N 3.27Å
174	E	95.6	Very high	94.7	Very high	79 Å²	79	63.4 Å²	63.4	37%	0.369	32%	0.321	S	S	.	.	H	α-helix	trans	-56.2	-41.6	173.8	-81.5	-167.6	-134.4	0	0	112	K170 A172 K178	K170-E174 PolarHBondContact O-N 3.42Å; A172-E174 PolarHBondContact O-N 3.37Å; E174-K178 WeakPolarHBondContact O-CB 3.49Å; E174-K178 VanDerWaalsContact O-CD 3.27Å; E174-K178 WeakPolarHBondContact O-CD 3.45Å; E174-K178 WeakPolarHBondContact O-CG 3.27Å; E174-K178 PolarHBondContact O-N 2.81Å; E174-K178 IonicContact OE2-NZ 3.42Å; E174-K178 PolarHBondContact OE2-NZ 3.45Å
175	T	94.8	Very high	94.3	Very high	13 Å²	13	62.4 Å²	62.4	8%	0.08	31%	0.31	C	S	.	.	H	α-helix	trans	-74.5	-35	-179.4	-54.4	0	0	0	0	112.1	Q171 A172 Q173 K178 T179 K210 R211 F214	Q171-T175 WeakPolarHBondContact O-CB 3.47Å; Q171-T175 PolarHBondContact O-N 2.81Å; Q171-T175 PolarHBondContact O-OG1 2.9Å; A172-T175 CarbonylContact O-C 3.41Å; A172-T175 PolarHBondContact O-N 2.88Å; A172-T175 VanDerWaalsContact O-N 3.12Å; Q173-T175 VanDerWaalsContact C-N 3.26Å; Q173-T175 PolarHBondContact O-N 3.32Å; T175-K178 PolarHBondContact O-N 3.44Å; T175-T179 VanDerWaalsContact O-CB 3.31Å; T175-T179 WeakPolarHBondContact O-CB 3.46Å; T175-T179 PolarHBondContact O-N 2.88Å; T175-T179 PolarHBondContact O-OG1 3Å; T175-K210 HydrophobicContact CG2-CB 4.09Å; T175-R211 HydrophobicContact CG2-CB 3.99Å; T175-F214 HydrophobicContact CG2-CD2 4.08Å; T175-F214 WeakPolarHBondContact OG1-CD2 3.5Å
176	R	95.9	Very high	93.7	Very high	60 Å²	60	61.1 Å²	61.1	23%	0.226	31%	0.306	C	S	.	.	H	α-helix	trans	-58.5	-49.3	170.2	-69.6	168.3	-158.9	146.7	11.7	110.5	E169 A172 Q173 T179 L180 R211 D215	E169-R176 IonicContact OE1-CZ 3.42Å; E169-R176 IonicContact OE1-NH1 2.64Å; E169-R176 PolarHBondContact OE1-NH1 2.98Å; E169-R176 IonicContact OE1-NH2 2.67Å; E169-R176 IonicContact OE2-CZ 2.71Å; E169-R176 IonicContact OE2-NH1 2.79Å; E169-R176 PolarHBondContact OE2-NH1 3.21Å; E169-R176 IonicContact OE2-NH2 3.64Å; E169-R176 PolarHBondContact OE2-NH2 3.19Å; A172-R176 VanDerWaalsContact CB-NH2 3.31Å; A172-R176 VanDerWaalsContact O-CG 3.26Å; A172-R176 WeakPolarHBondContact O-CG 3.46Å; A172-R176 PolarHBondContact O-N 3.42Å; Q173-R176 PolarHBondContact O-N 2.9Å; R176-T179 PolarHBondContact O-N 2.91Å; R176-L180 WeakPolarHBondContact O-CG 3.4Å; R176-L180 PolarHBondContact O-N 3.2Å; R176-R211 HydrophobicContact CG-CG 4.27Å; R176-D215 IonicContact CZ-OD1 3.4Å; R176-D215 IonicContact NE-OD1 3.29Å; R176-D215 PolarHBondContact NE-OD1 2.9Å; R176-D215 IonicContact NE-OD2 2.69Å; R176-D215 IonicContact NH2-OD1 3.45Å; R176-D215 PolarHBondContact NH2-OD1 2.83Å
177	L	95.6	Very high	93.2	Very high	118 Å²	118	66.1 Å²	66.1	62%	0.618	32%	0.321	S	S	*	.	H	α-helix	trans	-60.8	-47.8	177.7	-70	171.5	0	0	0	112.1	Q173 T179 L180 A181	Q173-L177 WeakPolarHBondContact O-CG 3.47Å; Q173-L177 PolarHBondContact O-N 3.27Å; L177-T179 VanDerWaalsContact C-N 3.29Å; L177-T179 PolarHBondContact O-N 2.86Å; L177-L180 PolarHBondContact O-N 3.33Å; L177-A181 PolarHBondContact O-N 3.29Å
178	K	94.7	Very high	92.6	Very high	105 Å²	105	69.8 Å²	69.8	46%	0.457	33%	0.332	S	S	.	.	H	α-helix	trans	-60.2	-37.9	176.2	-68.5	160.3	-163.4	171.7	0	111.8	E174 T175 A182 L207	E174-K178 WeakPolarHBondContact O-CB 3.49Å; E174-K178 VanDerWaalsContact O-CD 3.27Å; E174-K178 WeakPolarHBondContact O-CD 3.45Å; E174-K178 WeakPolarHBondContact O-CG 3.27Å; E174-K178 PolarHBondContact O-N 2.81Å; E174-K178 IonicContact OE2-NZ 3.42Å; E174-K178 PolarHBondContact OE2-NZ 3.45Å; T175-K178 PolarHBondContact O-N 3.44Å; K178-A182 WeakPolarHBondContact O-CB 3.45Å; K178-A182 PolarHBondContact O-N 3.49Å; K178-A182 VanDerWaalsContact O-N 3.09Å; K178-L207 HydrophobicContact CB-CD2 4.42Å
179	T	93.2	Very high	91.8	Very high	6 Å²	6	77.7 Å²	77.7	4%	0.037	36%	0.36	C	S	.	.	H	α-helix	trans	-70.2	-38.4	176.5	-53.8	0	0	0	0	112.5	T175 R176 L177 A182 K183 Y204	T175-T179 VanDerWaalsContact O-CB 3.31Å; T175-T179 WeakPolarHBondContact O-CB 3.46Å; T175-T179 PolarHBondContact O-N 2.88Å; T175-T179 PolarHBondContact O-OG1 3Å; R176-T179 PolarHBondContact O-N 2.91Å; L177-T179 VanDerWaalsContact C-N 3.29Å; L177-T179 PolarHBondContact O-N 2.86Å; T179-A182 PolarHBondContact O-N 3.16Å; T179-K183 WeakPolarHBondContact O-CB 3.44Å; T179-K183 PolarHBondContact O-N 2.96Å; T179-Y204 HydrophobicContact CG2-CD2 4.3Å; T179-Y204 HydrophobicContact CG2-CE2 3.83Å
180	L	92.4	Very high	90.2	Very high	103 Å²	103	79 Å²	79	54%	0.539	37%	0.371	S	S	.	.	H	α-helix	trans	-65	-47.3	175.1	-74.1	170.3	0	0	0	111.3	R176 L177 A182 K183 E184	R176-L180 WeakPolarHBondContact O-CG 3.4Å; R176-L180 PolarHBondContact O-N 3.2Å; L177-L180 PolarHBondContact O-N 3.33Å; L180-A182 VanDerWaalsContact C-N 3.31Å; L180-A182 PolarHBondContact O-N 3.08Å; L180-K183 WeakPolarHBondContact O-CB 3.25Å; L180-K183 PolarHBondContact O-N 2.7Å; L180-E184 WeakPolarHBondContact O-CB 3.19Å; L180-E184 PolarHBondContact O-N 3.34Å
181	A	91.4	Very high	88.8	Confident	55 Å²	55	78.1 Å²	78.1	46%	0.455	37%	0.374	S	S	.	.	H	α-helix	trans	-59.9	-39.8	176	0	0	0	0	0	112.4	L177 E184 K185	L177-A181 PolarHBondContact O-N 3.29Å; A181-E184 PolarHBondContact O-N 3.27Å; A181-K185 WeakPolarHBondContact O-CB 3.19Å; A181-K185 PolarHBondContact O-N 2.76Å
182	A	89.3	Confident	87.3	Confident	18 Å²	18	79 Å²	79	15%	0.149	38%	0.38	C	S	.	.	H	α-helix	trans	-65.1	-43.5	174.4	0	0	0	0	0	112.6	K178 T179 L180 E184 K185 I186 Y204 L207	K178-A182 WeakPolarHBondContact O-CB 3.45Å; K178-A182 PolarHBondContact O-N 3.49Å; K178-A182 VanDerWaalsContact O-N 3.09Å; T179-A182 PolarHBondContact O-N 3.16Å; L180-A182 VanDerWaalsContact C-N 3.31Å; L180-A182 PolarHBondContact O-N 3.08Å; A182-E184 VanDerWaalsContact C-N 3.32Å; A182-E184 PolarHBondContact O-N 3.3Å; A182-K185 PolarHBondContact O-N 3.1Å; A182-I186 WeakPolarHBondContact O-CG1 3.49Å; A182-I186 PolarHBondContact O-N 3.11Å; A182-I186 VanDerWaalsContact O-N 3.11Å; A182-Y204 HydrophobicContact CB-CD2 4.28Å; A182-L207 HydrophobicContact CB-CD1 3.55Å
183	K	91.1	Very high	85.8	Confident	111 Å²	111	86.7 Å²	86.7	48%	0.483	42%	0.42	S	S	.	.	H	α-helix	trans	-58.9	-45.3	173.9	-171.9	-173.3	175.9	-173.6	0	111.1	T179 L180 I186 Q187 Y204	T179-K183 WeakPolarHBondContact O-CB 3.44Å; T179-K183 PolarHBondContact O-N 2.96Å; L180-K183 WeakPolarHBondContact O-CB 3.25Å; L180-K183 PolarHBondContact O-N 2.7Å; K183-I186 PolarHBondContact O-N 2.78Å; K183-Q187 WeakPolarHBondContact O-CB 3.24Å; K183-Q187 PolarHBondContact O-N 2.92Å; K183-Y204 HydrophobicContact CB-CD2 4.24Å; K183-Y204 HydrophobicContact CB-CE2 3.78Å; K183-Y204 HydrophobicContact CG-CE2 4.27Å
184	E	89.3	Confident	84.3	Confident	90 Å²	90	90.3 Å²	90.3	42%	0.421	43%	0.434	S	S	.	.	H	α-helix	trans	-66.4	-38.7	-178.5	-158.5	-166.5	-155	0	0	111.7	L180 A181 A182 Q187 R188	L180-E184 WeakPolarHBondContact O-CB 3.19Å; L180-E184 PolarHBondContact O-N 3.34Å; A181-E184 PolarHBondContact O-N 3.27Å; A182-E184 VanDerWaalsContact C-N 3.32Å; A182-E184 PolarHBondContact O-N 3.3Å; E184-Q187 PolarHBondContact O-N 3.49Å; E184-R188 WeakPolarHBondContact O-CG 3.45Å; E184-R188 PolarHBondContact O-N 3.14Å; E184-R188 IonicContact OE1-CZ 3.98Å; E184-R188 IonicContact OE1-NH1 3.71Å; E184-R188 IonicContact OE1-NH2 3.1Å; E184-R188 PolarHBondContact OE1-NH2 2.84Å; E184-R188 IonicContact OE2-CZ 3.7Å; E184-R188 IonicContact OE2-NH1 2.65Å; E184-R188 PolarHBondContact OE2-NH1 2.9Å; E184-R188 IonicContact OE2-NH2 2.73Å; E184-R188 PolarHBondContact OE2-NH2 3.44Å
185	K	87.6	Confident	83	Confident	62 Å²	62	90 Å²	90	27%	0.27	43%	0.433	S	S	.	.	H	α-helix	trans	-62.6	-41.7	173.8	-169.8	164.6	-172.7	160.6	0	112.4	A181 A182 R189 S190 D192 L200	A181-K185 WeakPolarHBondContact O-CB 3.19Å; A181-K185 PolarHBondContact O-N 2.76Å; A182-K185 PolarHBondContact O-N 3.1Å; K185-R189 PolarHBondContact O-N 2.73Å; K185-S190 WeakPolarHBondContact CE-O 3.49Å; K185-S190 VanDerWaalsContact CG-O 3.29Å; K185-S190 WeakPolarHBondContact CG-O 3.5Å; K185-S190 PolarHBondContact O-N 3.43Å; K185-D192 IonicContact NZ-OD1 3.66Å; K185-D192 IonicContact NZ-OD2 2.59Å; K185-D192 PolarHBondContact NZ-OD2 3.28Å; K185-L200 HydrophobicContact CD-CD2 4.5Å
186	I	85.9	Confident	82.3	Confident	27 Å²	27	93 Å²	93	14%	0.138	45%	0.454	C	S	.	.	H	α-helix	trans	-63.3	-45.3	171.9	-69.8	170.4	0	0	0	110.8	A182 K183 R188 R189 M197 L200 Y204	A182-I186 WeakPolarHBondContact O-CG1 3.49Å; A182-I186 PolarHBondContact O-N 3.11Å; A182-I186 VanDerWaalsContact O-N 3.11Å; K183-I186 PolarHBondContact O-N 2.78Å; I186-R188 PolarHBondContact O-N 3.45Å; I186-R189 WeakPolarHBondContact O-CA 3.12Å; I186-R189 PolarHBondContact O-N 3.29Å; I186-M197 HydrophobicContact CG2-CE 4.14Å; I186-L200 HydrophobicContact CD1-CB 4.36Å; I186-L200 HydrophobicContact CG1-CB 3.91Å; I186-Y204 HydrophobicContact CD1-CG 3.96Å
187	Q	85.1	Confident	81.7	Confident	153 Å²	153	93 Å²	93	72%	0.715	46%	0.457	S	S	*	.	H	α-helix	trans	-64.3	-36.9	-179.1	-173.4	171.6	-6	0	0	112.7	K183 E184 R189	K183-Q187 WeakPolarHBondContact O-CB 3.24Å; K183-Q187 PolarHBondContact O-N 2.92Å; E184-Q187 PolarHBondContact O-N 3.49Å; Q187-R189 PolarHBondContact O-N 2.88Å
188	R	85.8	Confident	81.2	Confident	157 Å²	157	89.8 Å²	89.8	59%	0.592	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-7.1	170.7	-71.7	-173.2	-177.7	104.1	8.2	114	E184 I186 S190	E184-R188 WeakPolarHBondContact O-CG 3.45Å; E184-R188 PolarHBondContact O-N 3.14Å; E184-R188 IonicContact OE1-CZ 3.98Å; E184-R188 IonicContact OE1-NH1 3.71Å; E184-R188 IonicContact OE1-NH2 3.1Å; E184-R188 PolarHBondContact OE1-NH2 2.84Å; E184-R188 IonicContact OE2-CZ 3.7Å; E184-R188 IonicContact OE2-NH1 2.65Å; E184-R188 PolarHBondContact OE2-NH1 2.9Å; E184-R188 IonicContact OE2-NH2 2.73Å; E184-R188 PolarHBondContact OE2-NH2 3.44Å; I186-R188 PolarHBondContact O-N 3.45Å; R188-S190 PolarHBondContact O-N 2.81Å
189	R	78	Confident	80.8	Confident	204 Å²	204	89.3 Å²	89.3	77%	0.77	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	33.1	-165.3	-60	-176.7	177.2	-128.5	0.9	112.6	K185 I186 Q187 T191	K185-R189 PolarHBondContact O-N 2.73Å; I186-R189 WeakPolarHBondContact O-CA 3.12Å; I186-R189 PolarHBondContact O-N 3.29Å; Q187-R189 PolarHBondContact O-N 2.88Å; R189-T191 PolarHBondContact O-N 3.32Å
190	S	65	Low	80.4	Confident	51 Å²	51	89.9 Å²	89.9	36%	0.357	45%	0.45	S	S	.	.			trans	-82.8	83.3	-173.5	173.8	0	0	0	0	110.2	K185 R188	K185-S190 WeakPolarHBondContact CE-O 3.49Å; K185-S190 VanDerWaalsContact CG-O 3.29Å; K185-S190 WeakPolarHBondContact CG-O 3.5Å; K185-S190 PolarHBondContact O-N 3.43Å; R188-S190 PolarHBondContact O-N 2.81Å
191	T	66.4	Low	80.3	Confident	71 Å²	71	89 Å²	89	44%	0.436	44%	0.443	S	S	.	.			trans	-84.9	119.7	170.5	52.1	0	0	0	0	110.3	R189 H195 M197 L200	R189-T191 PolarHBondContact O-N 3.32Å; T191-H195 VanDerWaalsContact CB-O 3.3Å; T191-H195 WeakPolarHBondContact CB-O 3.37Å; T191-H195 VanDerWaalsContact CG2-O 3.32Å; T191-H195 WeakPolarHBondContact CG2-O 3.43Å; T191-M197 HydrophobicContact CG2-CG 3.79Å; T191-M197 HydrophobicContact CG2-SD 3.71Å; T191-L200 HydrophobicContact CG2-CD1 4.05Å
192	D	64.1	Low	80.2	Confident	77 Å²	77	94.8 Å²	94.8	41%	0.412	45%	0.453	S	S	.	.			trans	-66.1	159.5	160.2	-58.9	-58.1	0	0	0	109.5	K185 F194 H195	K185-D192 IonicContact NZ-OD1 3.66Å; K185-D192 IonicContact NZ-OD2 2.59Å; K185-D192 PolarHBondContact NZ-OD2 3.28Å; D192-F194 PolarHBondContact O-N 3.37Å; D192-H195 HydrophobicContact CB-CB 4.48Å; D192-H195 PolarHBondContact O-N 3.29Å; D192-H195 IonicContact OD2-CD2 2.64Å
193	I	64.2	Low	80.2	Confident	163 Å²	163	98.2 Å²	98.2	84%	0.836	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-25	179.3	-60.6	171.2	0	0	0	112.5
194	F	65.6	Low	80.3	Confident	173 Å²	173	95.3 Å²	95.3	76%	0.759	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	7.8	-178.4	-54.9	-73.8	0	0	0	114.9	D192 Q199	D192-F194 PolarHBondContact O-N 3.37Å; F194-Q199 PolarHBondContact O-OE1 3.42Å
195	H	66.7	Low	80.5	Confident	74 Å²	74	95.3 Å²	95.3	34%	0.343	46%	0.458	S	S	.	.			trans	-132.7	97.1	-173.8	-72.2	-14.1	0	0	0	113.2	T191 D192 L200	T191-H195 VanDerWaalsContact CB-O 3.3Å; T191-H195 WeakPolarHBondContact CB-O 3.37Å; T191-H195 VanDerWaalsContact CG2-O 3.32Å; T191-H195 WeakPolarHBondContact CG2-O 3.43Å; D192-H195 HydrophobicContact CB-CB 4.48Å; D192-H195 PolarHBondContact O-N 3.29Å; D192-H195 IonicContact OD2-CD2 2.64Å; H195-L200 HydrophobicContact CB-CD2 4.1Å; H195-L200 HydrophobicContact CB-CG 4.37Å
196	S	80.5	Confident	80.8	Confident	74 Å²	74	99.9 Å²	99.9	52%	0.517	48%	0.478	S	S	.	.			trans	-60.7	148	170.1	173.3	0	0	0	0	111.8	A198 Q199 L200	S196-A198 PolarHBondContact O-N 2.82Å; S196-A198 VanDerWaalsContact O-N 3.17Å; S196-A198 PolarHBondContact OG-N 3.46Å; S196-Q199 WeakPolarHBondContact O-CA 3.25Å; S196-Q199 VanDerWaalsContact O-CB 3.3Å; S196-Q199 WeakPolarHBondContact O-CB 3.47Å; S196-Q199 PolarHBondContact O-N 3.36Å; S196-L200 PolarHBondContact O-N 3.01Å
197	M	83.5	Confident	81.2	Confident	60 Å²	60	100.1 Å²	100.1	30%	0.296	48%	0.479	S	S	.	.	H	α-helix	trans	-50.7	-40.5	173.4	-76.7	-62.1	-60.5	0	0	112.5	I186 T191 Q199 L200 H201	I186-M197 HydrophobicContact CG2-CE 4.14Å; T191-M197 HydrophobicContact CG2-CG 3.79Å; T191-M197 HydrophobicContact CG2-SD 3.71Å; M197-Q199 PolarHBondContact O-N 2.84Å; M197-L200 PolarHBondContact O-N 3.11Å; M197-L200 HydrophobicContact SD-CD1 4.14Å; M197-H201 PolarHBondContact O-CD2 3.29Å; M197-H201 VanDerWaalsContact O-CD2 3.22Å; M197-H201 PolarHBondContact O-N 2.93Å
198	A	85.7	Confident	81.7	Confident	51 Å²	51	95.5 Å²	95.5	42%	0.421	46%	0.459	S	S	.	.	H	α-helix	trans	-64.6	-28.2	177.4	0	0	0	0	0	113.1	S196 R202	S196-A198 PolarHBondContact O-N 2.82Å; S196-A198 VanDerWaalsContact O-N 3.17Å; S196-A198 PolarHBondContact OG-N 3.46Å; A198-R202 WeakPolarHBondContact O-CD 3.42Å; A198-R202 WeakPolarHBondContact O-CG 3.23Å; A198-R202 PolarHBondContact O-N 2.75Å
199	Q	85.5	Confident	82.1	Confident	96 Å²	96	89.7 Å²	89.7	45%	0.449	45%	0.448	S	S	.	.	H	α-helix	trans	-78.5	-37.1	174.2	-173.6	178.7	3.2	0	0	111.6	F194 S196 M197 R202 N203	F194-Q199 PolarHBondContact O-OE1 3.42Å; S196-Q199 WeakPolarHBondContact O-CA 3.25Å; S196-Q199 VanDerWaalsContact O-CB 3.3Å; S196-Q199 WeakPolarHBondContact O-CB 3.47Å; S196-Q199 PolarHBondContact O-N 3.36Å; M197-Q199 PolarHBondContact O-N 2.84Å; Q199-R202 PolarHBondContact O-N 2.9Å; Q199-N203 WeakPolarHBondContact O-CB 3.49Å; Q199-N203 PolarHBondContact O-N 2.82Å
200	L	85.8	Confident	82.9	Confident	18 Å²	18	86.1 Å²	86.1	9%	0.094	44%	0.438	C	S	.	.	H	α-helix	trans	-62.8	-46	172.9	-66.5	177.6	0	0	0	111.4	K185 I186 T191 H195 S196 M197 N203 Y204	K185-L200 HydrophobicContact CD-CD2 4.5Å; I186-L200 HydrophobicContact CD1-CB 4.36Å; I186-L200 HydrophobicContact CG1-CB 3.91Å; T191-L200 HydrophobicContact CG2-CD1 4.05Å; H195-L200 HydrophobicContact CB-CD2 4.1Å; H195-L200 HydrophobicContact CB-CG 4.37Å; S196-L200 PolarHBondContact O-N 3.01Å; M197-L200 PolarHBondContact O-N 3.11Å; M197-L200 HydrophobicContact SD-CD1 4.14Å; L200-N203 WeakPolarHBondContact O-CB 3.14Å; L200-N203 PolarHBondContact O-N 3.42Å; L200-N203 VanDerWaalsContact O-N 3.15Å; L200-Y204 PolarHBondContact O-N 2.94Å
201	H	89.5	Confident	84.4	Confident	83 Å²	83	87.9 Å²	87.9	38%	0.384	44%	0.437	S	S	.	.	H	α-helix	trans	-57.8	-52.9	173.9	-80.3	-76.5	0	0	0	111.7	M197 N203 Y204 D205	M197-H201 PolarHBondContact O-CD2 3.29Å; M197-H201 VanDerWaalsContact O-CD2 3.22Å; M197-H201 PolarHBondContact O-N 2.93Å; H201-N203 PolarHBondContact O-N 3.42Å; H201-N203 VanDerWaalsContact O-N 3.08Å; H201-Y204 WeakPolarHBondContact O-CA 3.4Å; H201-Y204 WeakPolarHBondContact O-CB 3.44Å; H201-Y204 PolarHBondContact O-N 2.82Å; H201-D205 PolarHBondContact O-N 3.18Å; H201-D205 VanDerWaalsContact O-OD2 3.08Å
202	R	90.3	Very high	85.7	Confident	177 Å²	177	90.7 Å²	90.7	67%	0.668	45%	0.445	S	S	*	.	H	α-helix	trans	-58.3	-25.1	175.8	-71	169.7	-176.5	175.9	1.9	114.1	A198 Q199 K206	A198-R202 WeakPolarHBondContact O-CD 3.42Å; A198-R202 WeakPolarHBondContact O-CG 3.23Å; A198-R202 PolarHBondContact O-N 2.75Å; Q199-R202 PolarHBondContact O-N 2.9Å; R202-K206 WeakPolarHBondContact O-CD 3.28Å; R202-K206 VanDerWaalsContact O-CG 3.27Å; R202-K206 WeakPolarHBondContact O-CG 3.22Å
203	N	89.5	Confident	87.2	Confident	90 Å²	90	89.4 Å²	89.4	48%	0.481	45%	0.445	S	S	.	.	H	α-helix	trans	-77.3	-47	173.6	-172.8	-67.8	0	0	0	110.8	Q199 L200 H201 D205 K206 L207	Q199-N203 WeakPolarHBondContact O-CB 3.49Å; Q199-N203 PolarHBondContact O-N 2.82Å; L200-N203 WeakPolarHBondContact O-CB 3.14Å; L200-N203 PolarHBondContact O-N 3.42Å; L200-N203 VanDerWaalsContact O-N 3.15Å; H201-N203 PolarHBondContact O-N 3.42Å; H201-N203 VanDerWaalsContact O-N 3.08Å; N203-D205 PolarHBondContact O-N 2.64Å; N203-K206 PolarHBondContact O-N 3.12Å; N203-L207 WeakPolarHBondContact O-CG 3.39Å; N203-L207 PolarHBondContact O-N 2.85Å; N203-L207 VanDerWaalsContact OD1-CD1 3.28Å; N203-L207 WeakPolarHBondContact OD1-CD1 3.44Å
204	Y	92.6	Very high	88.8	Confident	51 Å²	51	83.7 Å²	83.7	20%	0.2	41%	0.414	C	S	.	.	H	α-helix	trans	-58	-44.5	174.7	172.5	-100.5	0	0	0	112.5	T179 A182 K183 I186 L200 H201 K206 L207 L208	T179-Y204 HydrophobicContact CG2-CD2 4.3Å; T179-Y204 HydrophobicContact CG2-CE2 3.83Å; A182-Y204 HydrophobicContact CB-CD2 4.28Å; K183-Y204 HydrophobicContact CB-CD2 4.24Å; K183-Y204 HydrophobicContact CB-CE2 3.78Å; K183-Y204 HydrophobicContact CG-CE2 4.27Å; I186-Y204 HydrophobicContact CD1-CG 3.96Å; L200-Y204 PolarHBondContact O-N 2.94Å; H201-Y204 WeakPolarHBondContact O-CA 3.4Å; H201-Y204 WeakPolarHBondContact O-CB 3.44Å; H201-Y204 PolarHBondContact O-N 2.82Å; Y204-K206 VanDerWaalsContact C-N 3.31Å; Y204-K206 PolarHBondContact O-N 2.98Å; Y204-L207 CarbonylContact O-C 3.56Å; Y204-L207 WeakPolarHBondContact O-CB 3.4Å; Y204-L207 PolarHBondContact O-N 3.06Å; Y204-L207 VanDerWaalsContact O-N 3.11Å; Y204-L208 HydrophobicContact CE1-CD2 4.31Å; Y204-L208 WeakPolarHBondContact O-CB 3.42Å; Y204-L208 PolarHBondContact O-N 3.44Å
205	D	93.4	Very high	90.2	Very high	90 Å²	90	77 Å²	77	48%	0.481	39%	0.387	S	S	.	.	H	α-helix	trans	-62.7	-39.5	178.7	-55.4	-33.9	0	0	0	111.4	H201 N203 L208 G209	H201-D205 PolarHBondContact O-N 3.18Å; H201-D205 VanDerWaalsContact O-OD2 3.08Å; N203-D205 PolarHBondContact O-N 2.64Å; D205-L208 PolarHBondContact O-N 2.96Å; D205-G209 PolarHBondContact O-N 3.36Å
206	K	94.3	Very high	91.7	Very high	158 Å²	158	77 Å²	77	69%	0.687	40%	0.395	S	S	*	.	H	α-helix	trans	-67.6	-35.3	173.8	-73.9	176.9	-179.9	-173.4	0	112.7	R202 N203 Y204 K210	R202-K206 WeakPolarHBondContact O-CD 3.28Å; R202-K206 VanDerWaalsContact O-CG 3.27Å; R202-K206 WeakPolarHBondContact O-CG 3.22Å; N203-K206 PolarHBondContact O-N 3.12Å; Y204-K206 VanDerWaalsContact C-N 3.31Å; Y204-K206 PolarHBondContact O-N 2.98Å; K206-K210 WeakPolarHBondContact O-CG 3.19Å; K206-K210 PolarHBondContact O-N 3.45Å
207	L	94	Very high	92.4	Very high	32 Å²	32	79.8 Å²	79.8	17%	0.168	39%	0.394	C	S	.	.	H	α-helix	trans	-70.2	-37.8	172.9	-75.1	171.7	0	0	0	111.6	K178 A182 N203 Y204 K210 R211	K178-L207 HydrophobicContact CB-CD2 4.42Å; A182-L207 HydrophobicContact CB-CD1 3.55Å; N203-L207 WeakPolarHBondContact O-CG 3.39Å; N203-L207 PolarHBondContact O-N 2.85Å; N203-L207 VanDerWaalsContact OD1-CD1 3.28Å; N203-L207 WeakPolarHBondContact OD1-CD1 3.44Å; Y204-L207 CarbonylContact O-C 3.56Å; Y204-L207 WeakPolarHBondContact O-CB 3.4Å; Y204-L207 PolarHBondContact O-N 3.06Å; Y204-L207 VanDerWaalsContact O-N 3.11Å; L207-K210 PolarHBondContact O-N 3.45Å; L207-R211 WeakPolarHBondContact O-CB 3.49Å; L207-R211 PolarHBondContact O-N 3.26Å
208	L	94.8	Very high	93.1	Very high	55 Å²	55	76.9 Å²	76.9	29%	0.288	38%	0.38	S	S	.	.	H	α-helix	trans	-65	-44.6	177.7	-174.3	63.6	0	0	0	111.7	Y204 D205 R211 Q212	Y204-L208 HydrophobicContact CE1-CD2 4.31Å; Y204-L208 WeakPolarHBondContact O-CB 3.42Å; Y204-L208 PolarHBondContact O-N 3.44Å; D205-L208 PolarHBondContact O-N 2.96Å; L208-R211 WeakPolarHBondContact O-CB 3.44Å; L208-R211 PolarHBondContact O-N 3.04Å; L208-Q212 WeakPolarHBondContact O-CG 3.34Å; L208-Q212 PolarHBondContact O-N 3.29Å
209	G	94.4	Very high	93.6	Very high	35 Å²	35	77.4 Å²	77.4	36%	0.361	38%	0.377	S	S	.	.	H	α-helix	trans	-62.7	-41.7	173	0	0	0	0	0	112.8	D205 Q212 A213	D205-G209 PolarHBondContact O-N 3.36Å; G209-Q212 PolarHBondContact O-N 3.1Å; G209-A213 PolarHBondContact O-N 3.21Å; G209-A213 VanDerWaalsContact O-N 3.11Å
210	K	95.1	Very high	94.2	Very high	130 Å²	130	77.3 Å²	77.3	57%	0.565	38%	0.383	S	S	*	.	H	α-helix	trans	-61.9	-42.1	171.9	-77.9	-176.3	175.8	-169.4	0	112.2	T175 K206 L207 A213 F214	T175-K210 HydrophobicContact CG2-CB 4.09Å; K206-K210 WeakPolarHBondContact O-CG 3.19Å; K206-K210 PolarHBondContact O-N 3.45Å; L207-K210 PolarHBondContact O-N 3.45Å; K210-A213 PolarHBondContact O-N 3.18Å; K210-F214 WeakPolarHBondContact O-CD2 3.37Å; K210-F214 PolarHBondContact O-N 2.94Å
211	R	95.7	Very high	94.7	Very high	88 Å²	88	76.9 Å²	76.9	33%	0.332	38%	0.382	S	S	.	.	H	α-helix	trans	-59.1	-49.7	176.8	178.7	-172.7	162.1	-177.2	-3.4	110.5	T175 R176 L207 L208 A213 F214 D215	T175-R211 HydrophobicContact CG2-CB 3.99Å; R176-R211 HydrophobicContact CG-CG 4.27Å; L207-R211 WeakPolarHBondContact O-CB 3.49Å; L207-R211 PolarHBondContact O-N 3.26Å; L208-R211 WeakPolarHBondContact O-CB 3.44Å; L208-R211 PolarHBondContact O-N 3.04Å; R211-A213 VanDerWaalsContact C-N 3.28Å; R211-A213 PolarHBondContact O-N 2.96Å; R211-F214 PolarHBondContact O-N 3.28Å; R211-D215 VanDerWaalsContact CG-OD2 3.29Å; R211-D215 WeakPolarHBondContact CG-OD2 3.34Å; R211-D215 IonicContact CZ-OD2 2.65Å; R211-D215 IonicContact NE-OD2 2.82Å; R211-D215 PolarHBondContact NE-OD2 3.33Å; R211-D215 IonicContact NH2-OD2 3.56Å; R211-D215 PolarHBondContact NH2-OD2 2.91Å; R211-D215 VanDerWaalsContact O-CB 3.3Å; R211-D215 WeakPolarHBondContact O-CB 3.5Å; R211-D215 PolarHBondContact O-N 3.5Å
212	Q	95.7	Very high	95.1	Very high	130 Å²	130	76 Å²	76	61%	0.607	38%	0.376	S	S	*	.	H	α-helix	trans	-58.5	-40.6	178.4	-73.1	173.8	-18.6	0	0	111.9	L208 G209 S216	L208-Q212 WeakPolarHBondContact O-CG 3.34Å; L208-Q212 PolarHBondContact O-N 3.29Å; G209-Q212 PolarHBondContact O-N 3.1Å; Q212-S216 VanDerWaalsContact O-CB 3.3Å; Q212-S216 WeakPolarHBondContact O-CB 3.36Å; Q212-S216 PolarHBondContact O-N 3.23Å
213	A	95.6	Very high	95.5	Very high	49 Å²	49	71.2 Å²	71.2	41%	0.405	36%	0.363	S	S	.	.	H	α-helix	trans	-63.4	-46.3	175.7	0	0	0	0	0	113	G209 K210 R211 S216 R217	G209-A213 PolarHBondContact O-N 3.21Å; G209-A213 VanDerWaalsContact O-N 3.11Å; K210-A213 PolarHBondContact O-N 3.18Å; R211-A213 VanDerWaalsContact C-N 3.28Å; R211-A213 PolarHBondContact O-N 2.96Å; A213-S216 PolarHBondContact O-N 2.75Å; A213-R217 WeakPolarHBondContact O-CG 3.31Å; A213-R217 PolarHBondContact O-N 3.06Å
214	F	96.5	Very high	95.8	Very high	44 Å²	44	71.1 Å²	71.1	19%	0.193	36%	0.36	C	S	.	.	H	α-helix	trans	-72.8	-35.8	177.6	-70.2	-64.4	0	0	0	113.3	Q171 A172 T175 K210 R211 S216 R217 S218	Q171-F214 HydrophobicContact CB-CD1 3.91Å; Q171-F214 HydrophobicContact CB-CE1 3.99Å; Q171-F214 HydrophobicContact CB-CG 4.5Å; Q171-F214 VanDerWaalsContact OE1-CE1 3.28Å; A172-F214 HydrophobicContact CB-CB 3.94Å; T175-F214 HydrophobicContact CG2-CD2 4.08Å; T175-F214 WeakPolarHBondContact OG1-CD2 3.5Å; K210-F214 WeakPolarHBondContact O-CD2 3.37Å; K210-F214 PolarHBondContact O-N 2.94Å; R211-F214 PolarHBondContact O-N 3.28Å; F214-S216 VanDerWaalsContact C-N 3.28Å; F214-S216 PolarHBondContact O-N 3.26Å; F214-R217 PolarHBondContact O-N 2.64Å; F214-S218 VanDerWaalsContact O-CB 3.23Å; F214-S218 WeakPolarHBondContact O-CB 3.44Å; F214-S218 PolarHBondContact O-N 3.38Å
215	D	96.2	Very high	96.1	Very high	33 Å²	33	70.9 Å²	70.9	18%	0.176	36%	0.359	C	S	.	.	H	α-helix	trans	-62.5	-37.4	173.5	-78.5	-20	0	0	0	110.8	R176 R211 T219	R176-D215 IonicContact CZ-OD1 3.4Å; R176-D215 IonicContact NE-OD1 3.29Å; R176-D215 PolarHBondContact NE-OD1 2.9Å; R176-D215 IonicContact NE-OD2 2.69Å; R176-D215 IonicContact NH2-OD1 3.45Å; R176-D215 PolarHBondContact NH2-OD1 2.83Å; R211-D215 VanDerWaalsContact CG-OD2 3.29Å; R211-D215 WeakPolarHBondContact CG-OD2 3.34Å; R211-D215 IonicContact CZ-OD2 2.65Å; R211-D215 IonicContact NE-OD2 2.82Å; R211-D215 PolarHBondContact NE-OD2 3.33Å; R211-D215 IonicContact NH2-OD2 3.56Å; R211-D215 PolarHBondContact NH2-OD2 2.91Å; R211-D215 VanDerWaalsContact O-CB 3.3Å; R211-D215 WeakPolarHBondContact O-CB 3.5Å; R211-D215 PolarHBondContact O-N 3.5Å; D215-T219 WeakPolarHBondContact O-CB 3.38Å; D215-T219 PolarHBondContact O-N 2.89Å; D215-T219 VanDerWaalsContact O-N 3.15Å; D215-T219 PolarHBondContact O-OG1 3.18Å
216	S	96.2	Very high	96.3	Very high	73 Å²	73	68.2 Å²	68.2	51%	0.51	35%	0.345	S	S	.	.	H	α-helix	trans	-65.8	-49.2	171.9	176	0	0	0	0	112.3	Q212 A213 F214 T219 T220	Q212-S216 VanDerWaalsContact O-CB 3.3Å; Q212-S216 WeakPolarHBondContact O-CB 3.36Å; Q212-S216 PolarHBondContact O-N 3.23Å; A213-S216 PolarHBondContact O-N 2.75Å; F214-S216 VanDerWaalsContact C-N 3.28Å; F214-S216 PolarHBondContact O-N 3.26Å; S216-T219 WeakPolarHBondContact O-CB 3.31Å; S216-T219 PolarHBondContact O-N 3.04Å; S216-T219 VanDerWaalsContact O-N 3.16Å; S216-T220 PolarHBondContact O-N 3.4Å; S216-T220 PolarHBondContact O-OG1 3.15Å; S216-T220 VanDerWaalsContact O-OG1 3.11Å
217	R	97.3	Very high	96.4	Very high	132 Å²	132	67.5 Å²	67.5	50%	0.498	34%	0.342	S	S	.	.	H	α-helix	trans	-63	-45.5	178.5	-70.9	178.1	-178.4	-160.9	0.4	113.4	E168 A213 F214 T219 T220 A221	E168-R217 HydrophobicContact CG-CB 4.39Å; E168-R217 IonicContact OE1-NH1 3.16Å; E168-R217 WeakPolarHBondContact OE2-CB 3.39Å; E168-R217 WeakPolarHBondContact OE2-CD 3.49Å; A213-R217 WeakPolarHBondContact O-CG 3.31Å; A213-R217 PolarHBondContact O-N 3.06Å; F214-R217 PolarHBondContact O-N 2.64Å; R217-T219 PolarHBondContact O-N 3.06Å; R217-T220 PolarHBondContact O-N 3.28Å; R217-A221 WeakPolarHBondContact O-CB 3.29Å; R217-A221 PolarHBondContact O-N 3.39Å
218	S	96.5	Very high	96.6	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-52.7	-43	172.1	159.8	0	0	0	0	110.9	E169 F214 R222	E169-S218 WeakPolarHBondContact OE2-CB 3.4Å; E169-S218 PolarHBondContact OE2-OG 3.26Å; F214-S218 VanDerWaalsContact O-CB 3.23Å; F214-S218 WeakPolarHBondContact O-CB 3.44Å; F214-S218 PolarHBondContact O-N 3.38Å; S218-R222 VanDerWaalsContact O-CB 3.25Å; S218-R222 WeakPolarHBondContact O-CB 3.49Å; S218-R222 PolarHBondContact O-N 2.94Å; S218-R222 PolarHBondContact OG-NH2 2.68Å
219	T	96.8	Very high	96.6	Very high	61 Å²	61	66.8 Å²	66.8	37%	0.374	34%	0.337	S	S	.	.	H	α-helix	trans	-69.3	-42.4	178.3	-56.3	0	0	0	0	112.4	D215 S216 R217 R222 N223	D215-T219 WeakPolarHBondContact O-CB 3.38Å; D215-T219 PolarHBondContact O-N 2.89Å; D215-T219 VanDerWaalsContact O-N 3.15Å; D215-T219 PolarHBondContact O-OG1 3.18Å; S216-T219 WeakPolarHBondContact O-CB 3.31Å; S216-T219 PolarHBondContact O-N 3.04Å; S216-T219 VanDerWaalsContact O-N 3.16Å; R217-T219 PolarHBondContact O-N 3.06Å; T219-R222 PolarHBondContact O-N 3.15Å; T219-R222 PolarHBondContact OG1-NH1 3.14Å; T219-N223 PolarHBondContact O-N 3.39Å; T219-N223 PolarHBondContact O-OD1 3.34Å
220	T	97.3	Very high	96.7	Very high	94 Å²	94	69.8 Å²	69.8	58%	0.577	35%	0.348	S	S	*	.	H	α-helix	trans	-60.8	-47	173.9	-53	0	0	0	0	111.8	S216 R217 R222 N223 E224	S216-T220 PolarHBondContact O-N 3.4Å; S216-T220 PolarHBondContact O-OG1 3.15Å; S216-T220 VanDerWaalsContact O-OG1 3.11Å; R217-T220 PolarHBondContact O-N 3.28Å; T220-R222 PolarHBondContact O-N 2.84Å; T220-N223 PolarHBondContact O-N 3.24Å; T220-E224 PolarHBondContact O-N 2.97Å
221	A	97.8	Very high	96.8	Very high	9 Å²	9	66 Å²	66	7%	0.074	34%	0.341	C	S	.	.	H	α-helix	trans	-67.7	-33.9	179	0	0	0	0	0	112.7	V164 E168 R217 Y225	V164-A221 HydrophobicContact CG1-CB 4.07Å; E168-A221 HydrophobicContact CB-CB 4.36Å; R217-A221 WeakPolarHBondContact O-CB 3.29Å; R217-A221 PolarHBondContact O-N 3.39Å; A221-Y225 WeakPolarHBondContact O-CB 3.07Å; A221-Y225 PolarHBondContact O-N 3.14Å
222	R	97.9	Very high	96.8	Very high	64 Å²	64	62 Å²	62	24%	0.242	33%	0.327	C	S	.	.	H	α-helix	trans	-61.8	-49.5	171.2	-170.6	-178.9	-61.2	100.3	8.9	110.8	Y165 E169 S218 T219 T220 E224 Y225 L226	Y165-R222 HydrophobicContact CD2-CB 3.7Å; Y165-R222 HydrophobicContact CD2-CG 4.3Å; Y165-R222 HydrophobicContact CE2-CB 3.52Å; Y165-R222 HydrophobicContact CE2-CG 3.78Å; Y165-R222 PolarHBondContact OH-NE 3.27Å; E169-R222 IonicContact OE2-NH2 3.75Å; E169-R222 PolarHBondContact OE2-NH2 3.07Å; S218-R222 VanDerWaalsContact O-CB 3.25Å; S218-R222 WeakPolarHBondContact O-CB 3.49Å; S218-R222 PolarHBondContact O-N 2.94Å; S218-R222 PolarHBondContact OG-NH2 2.68Å; T219-R222 PolarHBondContact O-N 3.15Å; T219-R222 PolarHBondContact OG1-NH1 3.14Å; T220-R222 PolarHBondContact O-N 2.84Å; R222-E224 VanDerWaalsContact C-N 3.34Å; R222-E224 PolarHBondContact O-N 3.5Å; R222-Y225 PolarHBondContact O-N 3.17Å; R222-Y225 VanDerWaalsContact O-N 3.16Å; R222-L226 HydrophobicContact CG-CD1 4.21Å; R222-L226 VanDerWaalsContact O-CG 3.31Å; R222-L226 WeakPolarHBondContact O-CG 3.44Å; R222-L226 PolarHBondContact O-N 3.47Å
223	N	97.4	Very high	96.8	Very high	77 Å²	77	58.4 Å²	58.4	41%	0.412	31%	0.312	S	S	.	.	H	α-helix	trans	-61.9	-43.4	-178.6	-67	1.6	0	0	0	111.1	T219 T220 Y225 L226 F227	T219-N223 PolarHBondContact O-N 3.39Å; T219-N223 PolarHBondContact O-OD1 3.34Å; T220-N223 PolarHBondContact O-N 3.24Å; N223-Y225 PolarHBondContact O-N 3.28Å; N223-L226 PolarHBondContact O-N 2.86Å; N223-F227 HydrophobicContact CB-CE2 4.5Å; N223-F227 WeakPolarHBondContact O-CD2 3.36Å; N223-F227 PolarHBondContact O-N 3.22Å
224	E	97	Very high	96.9	Very high	88 Å²	88	59 Å²	59	41%	0.411	32%	0.316	S	S	.	.	H	α-helix	trans	-60.2	-43.1	173.5	-177.7	55.3	-146.6	0	0	112	T220 R222 L226 F227 Q228	T220-E224 PolarHBondContact O-N 2.97Å; R222-E224 VanDerWaalsContact C-N 3.34Å; R222-E224 PolarHBondContact O-N 3.5Å; E224-L226 VanDerWaalsContact C-N 3.32Å; E224-L226 PolarHBondContact O-N 3.02Å; E224-F227 PolarHBondContact O-N 3.26Å; E224-Q228 VanDerWaalsContact O-CG 3.31Å; E224-Q228 WeakPolarHBondContact O-CG 3.41Å; E224-Q228 PolarHBondContact O-N 3.5Å; E224-Q228 WeakPolarHBondContact OE1-CG 3.44Å; E224-Q228 PolarHBondContact OE1-NE2 2.95Å
225	Y	98	Very high	96.9	Very high	47 Å²	47	59.1 Å²	59.1	18%	0.184	32%	0.317	C	S	.	.	H	α-helix	trans	-62.1	-38.6	175.1	173.1	-116.5	0	0	0	112.5	M158 S161 H162 Y165 A221 R222 N223 Q228 L229	M158-Y225 HydrophobicContact CG-CE2 4.02Å; S161-Y225 WeakPolarHBondContact OG-CA 3.45Å; S161-Y225 PolarHBondContact OG-N 3.1Å; S161-Y225 VanDerWaalsContact OG-N 3.11Å; H162-Y225 HydrophobicContact CB-CD2 3.72Å; H162-Y225 HydrophobicContact CB-CE2 3.62Å; H162-Y225 AromaticContact CD2-CE2 3.93Å; H162-Y225 AromaticContact CD2-CZ 3.77Å; Y165-Y225 HydrophobicContact CD1-CD1 4.14Å; A221-Y225 WeakPolarHBondContact O-CB 3.07Å; A221-Y225 PolarHBondContact O-N 3.14Å; R222-Y225 PolarHBondContact O-N 3.17Å; R222-Y225 VanDerWaalsContact O-N 3.16Å; N223-Y225 PolarHBondContact O-N 3.28Å; Y225-Q228 PolarHBondContact O-N 3.08Å; Y225-L229 HydrophobicContact CE1-CD2 4.44Å; Y225-L229 VanDerWaalsContact O-CB 3.29Å; Y225-L229 WeakPolarHBondContact O-CB 3.41Å; Y225-L229 PolarHBondContact O-N 3.25Å
226	L	97.4	Very high	96.9	Very high	33 Å²	33	59.5 Å²	59.5	17%	0.173	32%	0.319	C	S	.	.	H	α-helix	trans	-69.4	-36.5	176.5	-65.3	176	0	0	0	113	R222 N223 E224 L229 T230 I1098	R222-L226 HydrophobicContact CG-CD1 4.21Å; R222-L226 VanDerWaalsContact O-CG 3.31Å; R222-L226 WeakPolarHBondContact O-CG 3.44Å; R222-L226 PolarHBondContact O-N 3.47Å; N223-L226 PolarHBondContact O-N 2.86Å; E224-L226 VanDerWaalsContact C-N 3.32Å; E224-L226 PolarHBondContact O-N 3.02Å; L226-L229 PolarHBondContact O-N 3.44Å; L226-T230 WeakPolarHBondContact O-CB 3.07Å; L226-T230 PolarHBondContact O-N 2.95Å; L226-T230 PolarHBondContact O-OG1 2.73Å; L226-I1098 HydrophobicContact CD1-CD1 3.79Å; L226-I1098 HydrophobicContact CD1-CG1 4.18Å; L226-I1098 HydrophobicContact CD1-CG2 3.86Å; L226-I1098 HydrophobicContact CD2-CG2 3.43Å; L226-I1098 VanDerWaalsContact CD2-CG2 3.43Å; L226-I1098 HydrophobicContact CG-CG2 4.29Å
227	F	97.4	Very high	97	Very high	143 Å²	143	62.7 Å²	62.7	63%	0.627	32%	0.324	S	S	*	.	H	α-helix	trans	-63.5	-46.5	171.2	-75	-58.6	0	0	0	111.4	N223 E224 L229 T230 A231	N223-F227 HydrophobicContact CB-CE2 4.5Å; N223-F227 WeakPolarHBondContact O-CD2 3.36Å; N223-F227 PolarHBondContact O-N 3.22Å; E224-F227 PolarHBondContact O-N 3.26Å; F227-L229 PolarHBondContact O-N 3.21Å; F227-T230 PolarHBondContact O-N 2.91Å; F227-A231 WeakPolarHBondContact O-CB 3.43Å; F227-A231 PolarHBondContact O-N 3.28Å
228	Q	96.9	Very high	97	Very high	50 Å²	50	61 Å²	61	23%	0.234	32%	0.322	C	S	.	.	H	α-helix	trans	-63.3	-39.8	177.1	-63.8	-64.6	-20.4	0	0	112.3	M158 E224 Y225 A231 I232	M158-Q228 HydrophobicContact CB-CB 4.3Å; E224-Q228 VanDerWaalsContact O-CG 3.31Å; E224-Q228 WeakPolarHBondContact O-CG 3.41Å; E224-Q228 PolarHBondContact O-N 3.5Å; E224-Q228 WeakPolarHBondContact OE1-CG 3.44Å; E224-Q228 PolarHBondContact OE1-NE2 2.95Å; Y225-Q228 PolarHBondContact O-N 3.08Å; Q228-A231 PolarHBondContact O-N 2.88Å; Q228-I232 WeakPolarHBondContact O-CG2 3.3Å; Q228-I232 PolarHBondContact O-N 3.25Å
229	L	96	Very high	97	Very high	23 Å²	23	61.1 Å²	61.1	12%	0.12	32%	0.322	C	S	.	.	H	α-helix	trans	-65.5	-38.3	175.2	-175	63.7	0	0	0	112	M158 Y225 L226 F227 I232 N233	M158-L229 HydrophobicContact SD-CD1 4.04Å; Y225-L229 HydrophobicContact CE1-CD2 4.44Å; Y225-L229 VanDerWaalsContact O-CB 3.29Å; Y225-L229 WeakPolarHBondContact O-CB 3.41Å; Y225-L229 PolarHBondContact O-N 3.25Å; L226-L229 PolarHBondContact O-N 3.44Å; F227-L229 PolarHBondContact O-N 3.21Å; L229-I232 HydrophobicContact CD1-CG2 4.45Å; L229-I232 VanDerWaalsContact O-CG2 3.32Å; L229-I232 WeakPolarHBondContact O-CG2 3.44Å; L229-N233 WeakPolarHBondContact O-CB 3.39Å; L229-N233 PolarHBondContact O-N 3.36Å; L229-N233 PolarHBondContact O-ND2 2.95Å
230	T	96.3	Very high	97	Very high	97 Å²	97	63.4 Å²	63.4	60%	0.595	33%	0.327	S	S	*	.	H	α-helix	trans	-67	-44.1	174.5	-55.4	0	0	0	0	110.8	L226 F227 N233 A234	L226-T230 WeakPolarHBondContact O-CB 3.07Å; L226-T230 PolarHBondContact O-N 2.95Å; L226-T230 PolarHBondContact O-OG1 2.73Å; F227-T230 PolarHBondContact O-N 2.91Å; T230-N233 PolarHBondContact O-N 3.08Å; T230-A234 WeakPolarHBondContact O-CB 3.13Å; T230-A234 PolarHBondContact O-N 3.31Å
231	A	96.1	Very high	97	Very high	51 Å²	51	61.5 Å²	61.5	42%	0.421	32%	0.318	S	S	.	.	H	α-helix	trans	-64.8	-45.7	-179.2	0	0	0	0	0	112.8	F227 Q228 N233 A234 H235	F227-A231 WeakPolarHBondContact O-CB 3.43Å; F227-A231 PolarHBondContact O-N 3.28Å; Q228-A231 PolarHBondContact O-N 2.88Å; A231-N233 VanDerWaalsContact C-N 3.35Å; A231-N233 PolarHBondContact O-N 2.81Å; A231-A234 PolarHBondContact O-N 2.74Å; A231-H235 WeakPolarHBondContact O-CB 3.37Å; A231-H235 PolarHBondContact O-N 3Å
232	I	95.8	Very high	96.9	Very high	5 Å²	5	65.7 Å²	65.7	3%	0.026	34%	0.335	C	S	.	.	H	α-helix	trans	-64.5	-39.1	177.4	-176.2	60	0	0	0	112	L151 C154 V155 M158 Q228 L229 H235 L236	L151-I232 HydrophobicContact CD1-CD1 3.52Å; C154-I232 HydrophobicContact CB-CD1 3.67Å; V155-I232 HydrophobicContact CG2-CD1 3.53Å; V155-I232 HydrophobicContact CG2-CG1 3.83Å; M158-I232 HydrophobicContact CG-CG2 4.4Å; M158-I232 HydrophobicContact SD-CG2 3.84Å; Q228-I232 WeakPolarHBondContact O-CG2 3.3Å; Q228-I232 PolarHBondContact O-N 3.25Å; L229-I232 HydrophobicContact CD1-CG2 4.45Å; L229-I232 VanDerWaalsContact O-CG2 3.32Å; L229-I232 WeakPolarHBondContact O-CG2 3.44Å; I232-H235 PolarHBondContact O-N 3.1Å; I232-L236 HydrophobicContact CD1-CD1 4.44Å; I232-L236 HydrophobicContact CD1-CG 4.23Å; I232-L236 HydrophobicContact CG1-CD1 3.99Å; I232-L236 HydrophobicContact CG1-CG 4.28Å; I232-L236 WeakPolarHBondContact O-CB 3.26Å; I232-L236 VanDerWaalsContact O-CG 3.31Å; I232-L236 WeakPolarHBondContact O-CG 3.17Å; I232-L236 PolarHBondContact O-N 2.84Å
233	N	96.1	Very high	96.9	Very high	54 Å²	54	64 Å²	64	29%	0.289	33%	0.331	S	S	.	.	H	α-helix	trans	-71.2	-32.7	179.3	-76.7	-54.6	0	0	0	112.3	L229 T230 A231 K237 V1101	L229-N233 WeakPolarHBondContact O-CB 3.39Å; L229-N233 PolarHBondContact O-N 3.36Å; L229-N233 PolarHBondContact O-ND2 2.95Å; T230-N233 PolarHBondContact O-N 3.08Å; A231-N233 VanDerWaalsContact C-N 3.35Å; A231-N233 PolarHBondContact O-N 2.81Å; N233-K237 WeakPolarHBondContact O-CB 3.44Å; N233-K237 PolarHBondContact O-N 3.33Å; N233-V1101 HydrophobicContact CB-CG1 4.21Å; N233-V1101 VanDerWaalsContact ND2-CG1 3.34Å; N233-V1101 WeakPolarHBondContact ND2-CG1 3.49Å
234	A	97.1	Very high	96.8	Very high	61 Å²	61	61.9 Å²	61.9	50%	0.504	32%	0.32	S	S	.	.	H	α-helix	trans	-65.2	-44.1	168.9	0	0	0	0	0	112.2	T230 A231 K237 H238	T230-A234 WeakPolarHBondContact O-CB 3.13Å; T230-A234 PolarHBondContact O-N 3.31Å; A231-A234 PolarHBondContact O-N 2.74Å; A234-K237 PolarHBondContact O-N 3.05Å; A234-H238 PolarHBondContact O-N 3.31Å
235	H	97.3	Very high	96.8	Very high	47 Å²	47	60.9 Å²	60.9	22%	0.218	32%	0.321	C	S	.	.	H	α-helix	trans	-65.9	-44.1	177.8	-168.3	177.8	0	0	0	111.6	L151 C154 A231 I232 K237 H238 Y239	L151-H235 HydrophobicContact CD1-CB 4.07Å; C154-H235 PolarHBondContact SG-ND1 3.4Å; A231-H235 WeakPolarHBondContact O-CB 3.37Å; A231-H235 PolarHBondContact O-N 3Å; I232-H235 PolarHBondContact O-N 3.1Å; H235-K237 VanDerWaalsContact C-N 3.32Å; H235-K237 PolarHBondContact O-N 3.26Å; H235-H238 PolarHBondContact O-N 3.13Å; H235-Y239 WeakPolarHBondContact O-CB 3.33Å; H235-Y239 PolarHBondContact O-N 3.31Å
236	L	96.4	Very high	96.8	Very high	40 Å²	40	62.8 Å²	62.8	21%	0.209	34%	0.337	C	S	.	.	H	α-helix	trans	-57	-44.7	172.4	-77.4	167.9	0	0	0	111.6	L17 L151 I232 H238 Y239 F240	L17-L236 HydrophobicContact CD1-CD2 4.02Å; L151-L236 HydrophobicContact CD1-CD2 4Å; L151-L236 HydrophobicContact CD1-CG 4.08Å; L151-L236 HydrophobicContact CD2-CD2 3.97Å; L151-L236 HydrophobicContact CG-CD2 4.31Å; I232-L236 HydrophobicContact CD1-CD1 4.44Å; I232-L236 HydrophobicContact CD1-CG 4.23Å; I232-L236 HydrophobicContact CG1-CD1 3.99Å; I232-L236 HydrophobicContact CG1-CG 4.28Å; I232-L236 WeakPolarHBondContact O-CB 3.26Å; I232-L236 VanDerWaalsContact O-CG 3.31Å; I232-L236 WeakPolarHBondContact O-CG 3.17Å; I232-L236 PolarHBondContact O-N 2.84Å; L236-H238 PolarHBondContact O-N 3.48Å; L236-Y239 PolarHBondContact O-N 3.13Å; L236-F240 HydrophobicContact CD2-CE2 4.37Å; L236-F240 WeakPolarHBondContact O-CD2 3.45Å; L236-F240 PolarHBondContact O-N 3.06Å; L236-F240 VanDerWaalsContact O-N 3.11Å
237	K	97.4	Very high	96.7	Very high	141 Å²	141	61.7 Å²	61.7	61%	0.613	33%	0.332	S	S	*	.	H	α-helix	trans	-59.3	-46.7	177	-174.8	-178	177.4	-175.5	0	111.5	N233 A234 H235 F240 S241	N233-K237 WeakPolarHBondContact O-CB 3.44Å; N233-K237 PolarHBondContact O-N 3.33Å; A234-K237 PolarHBondContact O-N 3.05Å; H235-K237 VanDerWaalsContact C-N 3.32Å; H235-K237 PolarHBondContact O-N 3.26Å; K237-F240 PolarHBondContact O-N 3.36Å; K237-S241 WeakPolarHBondContact O-CB 3.35Å; K237-S241 PolarHBondContact O-N 3Å; K237-S241 PolarHBondContact O-OG 3.46Å
238	H	97.4	Very high	96.7	Very high	97 Å²	97	56 Å²	56	45%	0.449	31%	0.311	S	S	.	.	H	α-helix	trans	-62.4	-44.2	177.8	-166.5	67.7	0	0	0	112.1	A234 H235 L236 F240 S241 E242 D243	A234-H238 PolarHBondContact O-N 3.31Å; H235-H238 PolarHBondContact O-N 3.13Å; L236-H238 PolarHBondContact O-N 3.48Å; H238-F240 VanDerWaalsContact C-N 3.27Å; H238-F240 PolarHBondContact O-N 2.99Å; H238-S241 PolarHBondContact O-N 2.99Å; H238-E242 VanDerWaalsContact CE1-CG 3.49Å; H238-E242 WeakPolarHBondContact CE1-CG 3.5Å; H238-E242 WeakPolarHBondContact ND1-CG 3.33Å; H238-E242 PolarHBondContact O-N 3.41Å; H238-D243 IonicContact CD2-OD2 3.74Å; H238-D243 PolarHBondContact CD2-OD2 3.05Å; H238-D243 PolarHBondContact O-N 3.22Å
239	Y	97.1	Very high	96.7	Very high	1 Å²	1	61.6 Å²	61.6	0%	0.004	34%	0.335	C	S	.	.	I	π-helix	trans	-56.7	-39.3	176.9	173.4	-90.2	0	0	0	112.7	H24 L144 Q148 L151 H235 L236 D243 L244	H24-Y239 AromaticContact CE1-CE1 3.82Å; H24-Y239 AromaticContact ND1-CE1 3.66Å; H24-Y239 AromaticContact ND1-CZ 3.8Å; H24-Y239 PolarHBondContact ND1-OH 3.14Å; L144-Y239 HydrophobicContact CD1-CE2 4.37Å; Q148-Y239 HydrophobicContact CG-CE2 4.1Å; Q148-Y239 PolarHBondContact NE2-OH 2.72Å; L151-Y239 HydrophobicContact CD2-CD1 4.15Å; L151-Y239 HydrophobicContact CD2-CD2 3.91Å; L151-Y239 HydrophobicContact CD2-CE2 4.43Å; L151-Y239 HydrophobicContact CD2-CG 3.76Å; H235-Y239 WeakPolarHBondContact O-CB 3.33Å; H235-Y239 PolarHBondContact O-N 3.31Å; L236-Y239 PolarHBondContact O-N 3.13Å; Y239-D243 WeakPolarHBondContact CA-OD2 3.38Å; Y239-L244 HydrophobicContact CD1-CD1 4.06Å; Y239-L244 HydrophobicContact CD1-CG 4.35Å; Y239-L244 HydrophobicContact CE1-CD1 3.39Å; Y239-L244 HydrophobicContact CE1-CD2 4.48Å; Y239-L244 HydrophobicContact CE1-CG 3.81Å; Y239-L244 HydrophobicContact CE2-CG 4.28Å; Y239-L244 WeakPolarHBondContact O-CB 3.34Å; Y239-L244 WeakPolarHBondContact O-CG 3.24Å; Y239-L244 PolarHBondContact O-N 3.48Å
240	F	96.3	Very high	96.7	Very high	109 Å²	109	63.4 Å²	63.4	48%	0.478	35%	0.347	S	S	.	.	I	π-helix	trans	-83.4	-31.9	178.1	-74.2	-64.6	0	0	0	114.6	H24 L236 K237 H238 L244	H24-F240 AromaticContact CE1-CE1 3.48Å; H24-F240 VanDerWaalsContact CE1-CE1 3.48Å; H24-F240 WeakPolarHBondContact CE1-CE1 3.25Å; H24-F240 AromaticContact CE1-CZ 3.73Å; H24-F240 AromaticContact NE2-CE1 3.7Å; L236-F240 HydrophobicContact CD2-CE2 4.37Å; L236-F240 WeakPolarHBondContact O-CD2 3.45Å; L236-F240 PolarHBondContact O-N 3.06Å; L236-F240 VanDerWaalsContact O-N 3.11Å; K237-F240 PolarHBondContact O-N 3.36Å; H238-F240 VanDerWaalsContact C-N 3.27Å; H238-F240 PolarHBondContact O-N 2.99Å; F240-L244 HydrophobicContact CD1-CD1 3.96Å; F240-L244 HydrophobicContact CE1-CD1 4.25Å
241	S	97.5	Very high	96.7	Very high	55 Å²	55	58.9 Å²	58.9	39%	0.385	32%	0.319	S	S	.	.	I	π-helix	trans	-92.5	-32.4	-176.2	78.7	0	0	0	0	114.6	K237 H238 P245	K237-S241 WeakPolarHBondContact O-CB 3.35Å; K237-S241 PolarHBondContact O-N 3Å; K237-S241 PolarHBondContact O-OG 3.46Å; H238-S241 PolarHBondContact O-N 2.99Å; S241-P245 WeakPolarHBondContact O-CG 3.45Å
242	E	96.9	Very high	96.6	Very high	96 Å²	96	57.4 Å²	57.4	45%	0.449	30%	0.304	S	S	.	.	I	π-helix	trans	-115.5	-59.5	-176.3	-49.4	-49.4	130.2	0	0	111.9	H238 L244 P245 V246	H238-E242 VanDerWaalsContact CE1-CG 3.49Å; H238-E242 WeakPolarHBondContact CE1-CG 3.5Å; H238-E242 WeakPolarHBondContact ND1-CG 3.33Å; H238-E242 PolarHBondContact O-N 3.41Å; E242-L244 PolarHBondContact O-N 3.34Å; E242-P245 WeakPolarHBondContact O-CD 3.33Å; E242-V246 WeakPolarHBondContact O-CB 3.28Å; E242-V246 VanDerWaalsContact O-CG2 3.24Å; E242-V246 WeakPolarHBondContact O-CG2 3.32Å; E242-V246 PolarHBondContact O-N 3.26Å
243	D	97	Very high	96.6	Very high	28 Å²	28	59.5 Å²	59.5	15%	0.15	33%	0.326	C	S	.	.	I	π-helix	trans	-62.7	-52.1	-168.1	-64.7	-55.5	0	0	0	112.6	L147 H238 Y239 V246 L247	L147-D243 HydrophobicContact CD1-CB 4.26Å; H238-D243 IonicContact CD2-OD2 3.74Å; H238-D243 PolarHBondContact CD2-OD2 3.05Å; H238-D243 PolarHBondContact O-N 3.22Å; Y239-D243 WeakPolarHBondContact CA-OD2 3.38Å; D243-V246 PolarHBondContact O-N 2.91Å; D243-L247 WeakPolarHBondContact O-CB 3.47Å; D243-L247 VanDerWaalsContact O-CG 3.25Å; D243-L247 WeakPolarHBondContact O-CG 3.16Å; D243-L247 PolarHBondContact O-N 3.38Å
244	L	96.1	Very high	96.5	Very high	34 Å²	34	61.4 Å²	61.4	18%	0.178	33%	0.333	C	S	.	.	H	α-helix	trans	-61.2	-47.3	179.7	-83.6	178.4	0	0	0	112.7	L144 Y239 F240 E242 V246 L247 A248	L144-L244 HydrophobicContact CD1-CD2 4.17Å; Y239-L244 HydrophobicContact CD1-CD1 4.06Å; Y239-L244 HydrophobicContact CD1-CG 4.35Å; Y239-L244 HydrophobicContact CE1-CD1 3.39Å; Y239-L244 HydrophobicContact CE1-CD2 4.48Å; Y239-L244 HydrophobicContact CE1-CG 3.81Å; Y239-L244 HydrophobicContact CE2-CG 4.28Å; Y239-L244 WeakPolarHBondContact O-CB 3.34Å; Y239-L244 WeakPolarHBondContact O-CG 3.24Å; Y239-L244 PolarHBondContact O-N 3.48Å; F240-L244 HydrophobicContact CD1-CD1 3.96Å; F240-L244 HydrophobicContact CE1-CD1 4.25Å; E242-L244 PolarHBondContact O-N 3.34Å; L244-V246 PolarHBondContact O-N 2.93Å; L244-L247 PolarHBondContact O-N 2.94Å; L244-A248 WeakPolarHBondContact O-CB 3.26Å; L244-A248 PolarHBondContact O-N 3.29Å
245	P	96.8	Very high	96.4	Very high	67 Å²	67	58.5 Å²	58.5	44%	0.435	31%	0.31	S	S	.	.	H	α-helix	trans	-59.1	-40.2	172.2	-30.2	39	0	0	0	114.6	S241 E242 A248 K249	S241-P245 WeakPolarHBondContact O-CG 3.45Å; E242-P245 WeakPolarHBondContact O-CD 3.33Å; P245-A248 PolarHBondContact O-N 3.31Å; P245-K249 WeakPolarHBondContact O-CB 3.4Å; P245-K249 PolarHBondContact O-N 2.85Å
246	V	97.1	Very high	96.4	Very high	86 Å²	86	61.7 Å²	61.7	52%	0.521	32%	0.32	S	S	.	.	H	α-helix	trans	-68.8	-42.9	178.4	169.3	0	0	0	0	111.4	E242 D243 L244 T250	E242-V246 WeakPolarHBondContact O-CB 3.28Å; E242-V246 VanDerWaalsContact O-CG2 3.24Å; E242-V246 WeakPolarHBondContact O-CG2 3.32Å; E242-V246 PolarHBondContact O-N 3.26Å; D243-V246 PolarHBondContact O-N 2.91Å; L244-V246 PolarHBondContact O-N 2.93Å; V246-T250 VanDerWaalsContact O-CB 3.29Å; V246-T250 WeakPolarHBondContact O-CB 3.33Å; V246-T250 PolarHBondContact O-N 3.01Å; V246-T250 PolarHBondContact O-OG1 2.85Å
247	L	96.8	Very high	96.3	Very high	11 Å²	11	66.3 Å²	66.3	6%	0.058	34%	0.341	C	S	.	.	H	α-helix	trans	-62.2	-43.9	174.2	-71	171.2	0	0	0	111.4	V140 Q143 L144 L147 D243 L244 T250 L251	V140-L247 HydrophobicContact CG1-CB 4.11Å; V140-L247 HydrophobicContact CG1-CD2 4Å; Q143-L247 HydrophobicContact CB-CD2 3.96Å; L144-L247 HydrophobicContact CB-CD1 4.19Å; L144-L247 HydrophobicContact CD1-CD1 3.77Å; L147-L247 HydrophobicContact CD1-CD1 3.85Å; L147-L247 HydrophobicContact CD1-CD2 4.48Å; L147-L247 HydrophobicContact CD1-CG 4.45Å; D243-L247 WeakPolarHBondContact O-CB 3.47Å; D243-L247 VanDerWaalsContact O-CG 3.25Å; D243-L247 WeakPolarHBondContact O-CG 3.16Å; D243-L247 PolarHBondContact O-N 3.38Å; L244-L247 PolarHBondContact O-N 2.94Å; L247-T250 PolarHBondContact O-N 3.45Å; L247-L251 WeakPolarHBondContact O-CB 3.4Å; L247-L251 PolarHBondContact O-N 3.37Å
248	A	96.4	Very high	96.2	Very high	24 Å²	24	62.9 Å²	62.9	20%	0.198	33%	0.326	C	S	.	.	H	α-helix	trans	-61.4	-51.8	176.7	0	0	0	0	0	111.5	L28 L244 P245 T250 L251 D252	L28-A248 HydrophobicContact CD1-CB 4.33Å; L244-A248 WeakPolarHBondContact O-CB 3.26Å; L244-A248 PolarHBondContact O-N 3.29Å; P245-A248 PolarHBondContact O-N 3.31Å; A248-T250 PolarHBondContact O-N 3.08Å; A248-L251 WeakPolarHBondContact O-CB 3.39Å; A248-L251 PolarHBondContact O-N 2.94Å; A248-D252 PolarHBondContact O-N 2.78Å
249	K	96.4	Very high	96.1	Very high	167 Å²	167	59 Å²	59	73%	0.726	31%	0.308	S	S	*	.	H	α-helix	trans	-58.7	-36.6	176.3	-174.2	175.8	-178.8	178	0	112.6	P245 G253	P245-K249 WeakPolarHBondContact O-CB 3.4Å; P245-K249 PolarHBondContact O-N 2.85Å; K249-G253 PolarHBondContact O-N 2.75Å; K249-G253 VanDerWaalsContact O-N 3.1Å
250	T	96.5	Very high	96.1	Very high	61 Å²	61	60.4 Å²	60.4	37%	0.374	32%	0.324	S	S	.	.	H	α-helix	trans	-68.3	-36.7	176.1	-57.4	0	0	0	0	111.9	V136 V140 V246 L247 A248	V136-T250 WeakPolarHBondContact CG1-O 3.5Å; V140-T250 HydrophobicContact CG2-CG2 3.8Å; V246-T250 VanDerWaalsContact O-CB 3.29Å; V246-T250 WeakPolarHBondContact O-CB 3.33Å; V246-T250 PolarHBondContact O-N 3.01Å; V246-T250 PolarHBondContact O-OG1 2.85Å; L247-T250 PolarHBondContact O-N 3.45Å; A248-T250 PolarHBondContact O-N 3.08Å
251	L	96.2	Very high	96.2	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-69.3	-38.2	176.8	-168.2	55.5	0	0	0	112.3	L28 N32 V136 N137 V140 F141 L247 A248	L28-L251 HydrophobicContact CD1-CD2 3.85Å; L28-L251 HydrophobicContact CD2-CD2 4.08Å; L28-L251 HydrophobicContact CG-CD2 3.67Å; N32-L251 HydrophobicContact CB-CD1 4.31Å; N32-L251 HydrophobicContact CB-CD2 3.77Å; N32-L251 HydrophobicContact CB-CG 4.01Å; V136-L251 HydrophobicContact CG1-CD1 4.38Å; N137-L251 HydrophobicContact CB-CD1 4.23Å; V140-L251 HydrophobicContact CB-CD1 4.18Å; V140-L251 HydrophobicContact CG1-CB 4.23Å; V140-L251 HydrophobicContact CG1-CD1 4.32Å; V140-L251 HydrophobicContact CG2-CB 4.45Å; V140-L251 HydrophobicContact CG2-CD1 4.38Å; F141-L251 HydrophobicContact CE2-CD1 4.24Å; F141-L251 HydrophobicContact CE2-CD2 3.86Å; F141-L251 HydrophobicContact CZ-CD2 4.14Å; L247-L251 WeakPolarHBondContact O-CB 3.4Å; L247-L251 PolarHBondContact O-N 3.37Å; A248-L251 WeakPolarHBondContact O-CB 3.39Å; A248-L251 PolarHBondContact O-N 2.94Å
252	D	95.2	Very high	96.1	Very high	21 Å²	21	57.5 Å²	57.5	11%	0.112	31%	0.306	C	S	.	.	H	α-helix	trans	-68.9	-45.5	-179.8	-63.6	-15.6	0	0	0	111.1	K31 R133 A248 L255 Y256	K31-D252 VanDerWaalsContact NZ-CG 3.27Å; K31-D252 IonicContact NZ-OD1 2.83Å; K31-D252 PolarHBondContact NZ-OD1 3.39Å; K31-D252 IonicContact NZ-OD2 3.19Å; K31-D252 PolarHBondContact NZ-OD2 2.76Å; R133-D252 PolarHBondContact NH1-O 2.89Å; A248-D252 PolarHBondContact O-N 2.78Å; D252-L255 VanDerWaalsContact O-CB 3.29Å; D252-L255 WeakPolarHBondContact O-CB 3.39Å; D252-L255 PolarHBondContact O-N 2.85Å; D252-Y256 HydrophobicContact CB-CD2 4.34Å; D252-Y256 HydrophobicContact CB-CE2 3.82Å
253	G	94.6	Very high	96.2	Very high	48 Å²	48	57.8 Å²	57.8	50%	0.495	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	-132.9	176	0	0	0	0	0	112.2	K249 L255	K249-G253 PolarHBondContact O-N 2.75Å; K249-G253 VanDerWaalsContact O-N 3.1Å; G253-L255 VanDerWaalsContact C-N 3.28Å; G253-L255 PolarHBondContact O-N 2.68Å
254	E	94.5	Very high	96.2	Very high	94 Å²	94	59.9 Å²	59.9	44%	0.439	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	5.9	178.9	-67.1	164.3	-119.2	0	0	113.5	L129 Q132 Y256 E257 K258	L129-E254 HydrophobicContact CD1-CB 4.47Å; Q132-E254 PolarHBondContact NE2-OE1 3.08Å; E254-Y256 PolarHBondContact O-N 2.9Å; E254-E257 PolarHBondContact O-N 3.34Å; E254-K258 HydrophobicContact CB-CG 4.18Å; E254-K258 WeakPolarHBondContact O-CB 3.24Å; E254-K258 WeakPolarHBondContact O-CG 3.46Å; E254-K258 PolarHBondContact O-N 3.02Å
255	L	95.5	Very high	96.2	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-57.5	-51.5	-170.9	-179.3	68.8	0	0	0	112.8	E35 L39 L129 D252 G253 E257 K258 L259	E35-L255 HydrophobicContact CB-CD2 3.9Å; E35-L255 HydrophobicContact CG-CD2 4.39Å; L39-L255 HydrophobicContact CB-CD1 4.39Å; L39-L255 HydrophobicContact CD1-CD1 4.2Å; L39-L255 HydrophobicContact CD2-CD1 4.18Å; L39-L255 HydrophobicContact CG-CD1 4.49Å; L129-L255 HydrophobicContact CD2-CD1 4.08Å; D252-L255 VanDerWaalsContact O-CB 3.29Å; D252-L255 WeakPolarHBondContact O-CB 3.39Å; D252-L255 PolarHBondContact O-N 2.85Å; G253-L255 VanDerWaalsContact C-N 3.28Å; G253-L255 PolarHBondContact O-N 2.68Å; L255-E257 PolarHBondContact O-N 3.01Å; L255-K258 PolarHBondContact O-N 2.92Å; L255-L259 HydrophobicContact CD1-CD1 3.8Å; L255-L259 HydrophobicContact CD1-CD2 4.22Å; L255-L259 HydrophobicContact CD1-CG 3.76Å; L255-L259 HydrophobicContact CD2-CD1 4.11Å; L255-L259 HydrophobicContact CG-CD1 3.72Å; L255-L259 HydrophobicContact CG-CG 4.03Å; L255-L259 WeakPolarHBondContact O-CB 3.3Å; L255-L259 VanDerWaalsContact O-CG 3.31Å; L255-L259 WeakPolarHBondContact O-CG 3.44Å; L255-L259 PolarHBondContact O-N 3.48Å
256	Y	95.8	Very high	96.2	Very high	113 Å²	113	58 Å²	58	44%	0.443	31%	0.308	S	S	.	.	H	α-helix	trans	-65.6	-40.6	-173.1	-62.7	-60.7	0	0	0	112.2	K31 E35 D252 E254 G260	K31-Y256 PolarHBondContact NZ-OH 3.1Å; E35-Y256 PolarHBondContact OE1-OH 2.92Å; D252-Y256 HydrophobicContact CB-CD2 4.34Å; D252-Y256 HydrophobicContact CB-CE2 3.82Å; E254-Y256 PolarHBondContact O-N 2.9Å; Y256-G260 PolarHBondContact O-N 2.77Å
257	E	95.4	Very high	96.2	Very high	138 Å²	138	57.7 Å²	57.7	65%	0.645	31%	0.308	S	S	*	.	H	α-helix	trans	-63.6	-45.6	175.6	-46.4	-55.7	158.9	0	0	110.8	E254 L255 G260 E261	E254-E257 PolarHBondContact O-N 3.34Å; L255-E257 PolarHBondContact O-N 3.01Å; E257-G260 PolarHBondContact O-N 3.38Å; E257-E261 WeakPolarHBondContact O-CG 3.4Å; E257-E261 PolarHBondContact O-N 3.25Å
258	K	95.3	Very high	96.3	Very high	69 Å²	69	62.7 Å²	62.7	30%	0.3	33%	0.331	S	S	.	.	H	α-helix	trans	-69.9	-33.8	-179.6	-70.2	-78.9	165.6	-107	0	113.4	L129 E254 L255 E261 V262	L129-K258 HydrophobicContact CD2-CB 3.68Å; L129-K258 HydrophobicContact CD2-CG 4.17Å; E254-K258 HydrophobicContact CB-CG 4.18Å; E254-K258 WeakPolarHBondContact O-CB 3.24Å; E254-K258 WeakPolarHBondContact O-CG 3.46Å; E254-K258 PolarHBondContact O-N 3.02Å; L255-K258 PolarHBondContact O-N 2.92Å; K258-E261 IonicContact NZ-OE1 3.84Å; K258-E261 PolarHBondContact NZ-OE1 3.36Å; K258-E261 IonicContact NZ-OE2 2.8Å; K258-E261 PolarHBondContact NZ-OE2 3.47Å; K258-V262 VanDerWaalsContact O-CG2 3.31Å; K258-V262 WeakPolarHBondContact O-CG2 3.35Å; K258-V262 PolarHBondContact O-N 2.9Å; K258-V262 VanDerWaalsContact O-N 3.11Å
259	L	95.9	Very high	96.2	Very high	14 Å²	14	63.5 Å²	63.5	7%	0.073	33%	0.332	C	S	.	.	H	α-helix	trans	-67.8	-41.9	170.4	-70.2	-178.8	0	0	0	110.7	L42 L255 V262 F263	L42-L259 HydrophobicContact CD2-CD2 3.5Å; L42-L259 VanDerWaalsContact CD2-CD2 3.5Å; L255-L259 HydrophobicContact CD1-CD1 3.8Å; L255-L259 HydrophobicContact CD1-CD2 4.22Å; L255-L259 HydrophobicContact CD1-CG 3.76Å; L255-L259 HydrophobicContact CD2-CD1 4.11Å; L255-L259 HydrophobicContact CG-CD1 3.72Å; L255-L259 HydrophobicContact CG-CG 4.03Å; L255-L259 WeakPolarHBondContact O-CB 3.3Å; L255-L259 VanDerWaalsContact O-CG 3.31Å; L255-L259 WeakPolarHBondContact O-CG 3.44Å; L255-L259 PolarHBondContact O-N 3.48Å; L259-V262 PolarHBondContact O-N 3.4Å; L259-F263 HydrophobicContact CB-CD2 4.35Å; L259-F263 HydrophobicContact CB-CE2 4.03Å; L259-F263 WeakPolarHBondContact O-CD2 3.48Å; L259-F263 WeakPolarHBondContact O-CG 3.48Å; L259-F263 PolarHBondContact O-N 2.9Å
260	G	97.2	Very high	96.1	Very high	32 Å²	32	59 Å²	59	33%	0.33	31%	0.314	S	S	.	.	H	α-helix	trans	-57.4	-52.8	173.6	0	0	0	0	0	112.2	Y256 E257 V262 F263 T264	Y256-G260 PolarHBondContact O-N 2.77Å; E257-G260 PolarHBondContact O-N 3.38Å; G260-V262 VanDerWaalsContact C-N 3.32Å; G260-V262 PolarHBondContact O-N 2.94Å; G260-F263 PolarHBondContact O-N 2.69Å; G260-T264 WeakPolarHBondContact O-CB 3.25Å; G260-T264 PolarHBondContact O-N 3.45Å; G260-T264 PolarHBondContact O-OG1 2.79Å
261	E	96.5	Very high	96.1	Very high	95 Å²	95	61.4 Å²	61.4	44%	0.444	32%	0.323	S	S	.	.	H	α-helix	trans	-51.8	-47	174.3	-75.7	170.1	-145	0	0	112.2	E257 K258 T265	E257-E261 WeakPolarHBondContact O-CG 3.4Å; E257-E261 PolarHBondContact O-N 3.25Å; K258-E261 IonicContact NZ-OE1 3.84Å; K258-E261 PolarHBondContact NZ-OE1 3.36Å; K258-E261 IonicContact NZ-OE2 2.8Å; K258-E261 PolarHBondContact NZ-OE2 3.47Å; E261-T265 VanDerWaalsContact O-CB 3.26Å; E261-T265 WeakPolarHBondContact O-CB 3.45Å; E261-T265 PolarHBondContact O-N 2.92Å; E261-T265 PolarHBondContact O-OG1 3.19Å
262	V	96.7	Very high	96.1	Very high	7 Å²	7	67.4 Å²	67.4	4%	0.042	35%	0.351	C	S	.	.	H	α-helix	trans	-68.3	-44.8	-179.5	170.8	0	0	0	0	112	L42 L122 L126 K258 L259 G260 T265 L266	L42-V262 HydrophobicContact CD1-CG1 4.48Å; L42-V262 HydrophobicContact CD2-CB 4.46Å; L42-V262 HydrophobicContact CD2-CG1 3.91Å; L42-V262 HydrophobicContact CG-CG1 4.34Å; L122-V262 HydrophobicContact CD2-CG2 4.12Å; L126-V262 HydrophobicContact CD1-CG1 4.41Å; L126-V262 HydrophobicContact CD1-CG2 4.33Å; L126-V262 HydrophobicContact CD2-CG2 3.91Å; L126-V262 HydrophobicContact CG-CG2 4.15Å; K258-V262 VanDerWaalsContact O-CG2 3.31Å; K258-V262 WeakPolarHBondContact O-CG2 3.35Å; K258-V262 PolarHBondContact O-N 2.9Å; K258-V262 VanDerWaalsContact O-N 3.11Å; L259-V262 PolarHBondContact O-N 3.4Å; G260-V262 VanDerWaalsContact C-N 3.32Å; G260-V262 PolarHBondContact O-N 2.94Å; V262-T265 PolarHBondContact O-N 2.74Å; V262-L266 HydrophobicContact CG1-CD1 3.9Å; V262-L266 HydrophobicContact CG1-CG 4.38Å; V262-L266 WeakPolarHBondContact O-CB 3.14Å; V262-L266 VanDerWaalsContact O-CG 3.27Å; V262-L266 WeakPolarHBondContact O-CG 3.34Å; V262-L266 PolarHBondContact O-N 3.05Å
263	F	97.7	Very high	96	Very high	102 Å²	102	68.4 Å²	68.4	45%	0.447	35%	0.354	S	S	.	.	H	α-helix	trans	-64.3	-45.8	178.4	-67.7	-48.6	0	0	0	111.6	L42 L259 G260 L266 C267	L42-F263 HydrophobicContact CD1-CE1 3.86Å; L42-F263 HydrophobicContact CD2-CE1 3.96Å; L42-F263 HydrophobicContact CD2-CZ 4.03Å; L259-F263 HydrophobicContact CB-CD2 4.35Å; L259-F263 HydrophobicContact CB-CE2 4.03Å; L259-F263 WeakPolarHBondContact O-CD2 3.48Å; L259-F263 WeakPolarHBondContact O-CG 3.48Å; L259-F263 PolarHBondContact O-N 2.9Å; G260-F263 PolarHBondContact O-N 2.69Å; F263-L266 PolarHBondContact O-N 3.33Å; F263-C267 PolarHBondContact O-N 3.33Å; F263-C267 PolarHBondContact O-SG 3.4Å; F263-C267 VanDerWaalsContact O-SG 3.41Å
264	T	97.9	Very high	96	Very high	73 Å²	73	69.2 Å²	69.2	45%	0.448	35%	0.352	S	S	.	.	H	α-helix	trans	-58	-49.6	173.8	-66.4	0	0	0	0	110.9	G260 L266 C267 E268	G260-T264 WeakPolarHBondContact O-CB 3.25Å; G260-T264 PolarHBondContact O-N 3.45Å; G260-T264 PolarHBondContact O-OG1 2.79Å; T264-L266 VanDerWaalsContact C-N 3.32Å; T264-L266 PolarHBondContact O-N 2.94Å; T264-C267 PolarHBondContact O-N 3.07Å; T264-E268 VanDerWaalsContact CG2-CD 3.5Å; T264-E268 HydrophobicContact CG2-CG 4.12Å; T264-E268 WeakPolarHBondContact CG2-OE1 3.4Å; T264-E268 WeakPolarHBondContact O-CB 3.46Å; T264-E268 WeakPolarHBondContact O-CG 3.48Å; T264-E268 PolarHBondContact O-N 2.77Å
265	T	96.7	Very high	96.1	Very high	30 Å²	30	68.3 Å²	68.3	18%	0.184	35%	0.353	C	S	.	.	H	α-helix	trans	-59.8	-41.1	179.6	-56.4	0	0	0	0	111.9	L122 E261 V262 N269	L122-T265 HydrophobicContact CD1-CG2 4.08Å; L122-T265 HydrophobicContact CD2-CG2 4.05Å; E261-T265 VanDerWaalsContact O-CB 3.26Å; E261-T265 WeakPolarHBondContact O-CB 3.45Å; E261-T265 PolarHBondContact O-N 2.92Å; E261-T265 PolarHBondContact O-OG1 3.19Å; V262-T265 PolarHBondContact O-N 2.74Å; T265-N269 WeakPolarHBondContact CG2-ND2 3.26Å; T265-N269 WeakPolarHBondContact O-CB 3.49Å; T265-N269 PolarHBondContact O-N 2.66Å; T265-N269 PolarHBondContact O-ND2 3.18Å
266	L	96.6	Very high	96.1	Very high	32 Å²	32	71.1 Å²	71.1	17%	0.168	37%	0.368	C	S	.	.	H	α-helix	trans	-63.2	-46.2	177.2	-73.3	168.7	0	0	0	111.5	L42 Q119 L122 V262 F263 T264 E270	L42-L266 HydrophobicContact CD1-CD1 4.48Å; Q119-L266 HydrophobicContact CG-CD2 4.04Å; L122-L266 HydrophobicContact CD1-CD2 3.78Å; L122-L266 HydrophobicContact CD1-CG 3.98Å; V262-L266 HydrophobicContact CG1-CD1 3.9Å; V262-L266 HydrophobicContact CG1-CG 4.38Å; V262-L266 WeakPolarHBondContact O-CB 3.14Å; V262-L266 VanDerWaalsContact O-CG 3.27Å; V262-L266 WeakPolarHBondContact O-CG 3.34Å; V262-L266 PolarHBondContact O-N 3.05Å; F263-L266 PolarHBondContact O-N 3.33Å; T264-L266 VanDerWaalsContact C-N 3.32Å; T264-L266 PolarHBondContact O-N 2.94Å; L266-E270 PolarHBondContact O-N 3.32Å
267	C	97.4	Very high	96.1	Very high	78 Å²	78	66.9 Å²	66.9	53%	0.527	35%	0.354	S	S	.	.	H	α-helix	trans	-65.9	-43.3	178.2	-67.9	0	0	0	0	112.8	F263 T264 N269 E270 I271	F263-C267 PolarHBondContact O-N 3.33Å; F263-C267 PolarHBondContact O-SG 3.4Å; F263-C267 VanDerWaalsContact O-SG 3.41Å; T264-C267 PolarHBondContact O-N 3.07Å; C267-N269 PolarHBondContact O-N 2.86Å; C267-E270 PolarHBondContact O-N 3.5Å; C267-I271 WeakPolarHBondContact O-CD1 3.43Å; C267-I271 VanDerWaalsContact O-CG1 3.26Å; C267-I271 WeakPolarHBondContact O-CG1 3.45Å; C267-I271 PolarHBondContact O-N 3.41Å
268	E	97.2	Very high	96.2	Very high	117 Å²	117	67.1 Å²	67.1	55%	0.547	35%	0.354	S	S	.	.	H	α-helix	trans	-61.6	-43.4	178	-73.4	174.8	159.9	0	0	111.8	T264 I271 E272	T264-E268 VanDerWaalsContact CG2-CD 3.5Å; T264-E268 HydrophobicContact CG2-CG 4.12Å; T264-E268 WeakPolarHBondContact CG2-OE1 3.4Å; T264-E268 WeakPolarHBondContact O-CB 3.46Å; T264-E268 WeakPolarHBondContact O-CG 3.48Å; T264-E268 PolarHBondContact O-N 2.77Å; E268-I271 PolarHBondContact O-N 2.89Å; E268-E272 WeakPolarHBondContact O-CB 3.24Å; E268-E272 PolarHBondContact O-N 2.76Å
269	N	94.7	Very high	96.2	Very high	41 Å²	41	70.6 Å²	70.6	22%	0.219	37%	0.37	C	S	.	.	H	α-helix	trans	-61.6	-43.6	176	-85.7	-98.1	0	0	0	112.1	N118 T265 C267 F273	N118-N269 PolarHBondContact ND2-OD1 2.89Å; T265-N269 WeakPolarHBondContact CG2-ND2 3.26Å; T265-N269 WeakPolarHBondContact O-CB 3.49Å; T265-N269 PolarHBondContact O-N 2.66Å; T265-N269 PolarHBondContact O-ND2 3.18Å; C267-N269 PolarHBondContact O-N 2.86Å; N269-F273 WeakPolarHBondContact O-CB 3.47Å; N269-F273 PolarHBondContact O-N 2.69Å
270	E	95.1	Very high	96.2	Very high	72 Å²	72	72.6 Å²	72.6	34%	0.336	38%	0.376	S	S	.	.	H	α-helix	trans	-67.5	-37.9	-179.8	-156.5	80.2	175.9	0	0	111.2	R49 L266 C267 C274	R49-E270 IonicContact NH2-OE1 2.61Å; R49-E270 PolarHBondContact NH2-OE1 3.2Å; L266-E270 PolarHBondContact O-N 3.32Å; C267-E270 PolarHBondContact O-N 3.5Å; E270-C274 WeakPolarHBondContact O-CB 3.42Å; E270-C274 PolarHBondContact O-N 3.41Å; E270-C274 PolarHBondContact O-SG 3.42Å
271	I	97	Very high	96.1	Very high	111 Å²	111	74.2 Å²	74.2	57%	0.569	37%	0.374	S	S	*	.	H	α-helix	trans	-67.4	-46.4	176.6	-67.9	164.6	0	0	0	111.1	C267 E268 F273 T275	C267-I271 WeakPolarHBondContact O-CD1 3.43Å; C267-I271 VanDerWaalsContact O-CG1 3.26Å; C267-I271 WeakPolarHBondContact O-CG1 3.45Å; C267-I271 PolarHBondContact O-N 3.41Å; E268-I271 PolarHBondContact O-N 2.89Å; I271-F273 VanDerWaalsContact C-N 3.35Å; I271-T275 HydrophobicContact CG2-CG2 4.41Å; I271-T275 WeakPolarHBondContact O-CB 3.4Å; I271-T275 WeakPolarHBondContact O-CG2 3.2Å; I271-T275 PolarHBondContact O-N 2.95Å; I271-T275 PolarHBondContact O-OG1 2.69Å
272	E	94.8	Very high	96.2	Very high	128 Å²	128	72.8 Å²	72.8	60%	0.598	37%	0.37	S	S	*	.	H	α-helix	trans	-60.3	-46.4	175	-171.1	-170.9	161.4	0	0	110.6	E268 T275 L276	E268-E272 WeakPolarHBondContact O-CB 3.24Å; E268-E272 PolarHBondContact O-N 2.76Å; E272-T275 PolarHBondContact O-OG1 3.2Å; E272-L276 WeakPolarHBondContact O-CB 3.47Å; E272-L276 PolarHBondContact O-N 3.15Å
273	F	93.8	Very high	96	Very high	41 Å²	41	76.1 Å²	76.1	18%	0.18	39%	0.387	C	S	.	.	H	α-helix	trans	-58.3	-50.5	178.9	171.9	-96.2	0	0	0	112.5	L108 H112 N269 I271 T277	L108-F273 HydrophobicContact CD1-CE2 3.81Å; L108-F273 HydrophobicContact CD1-CZ 3.65Å; H112-F273 AromaticContact CE1-CE2 3.98Å; H112-F273 AromaticContact CE1-CZ 3.4Å; H112-F273 WeakPolarHBondContact CE1-CZ 3.39Å; H112-F273 AromaticContact NE2-CE2 3.84Å; H112-F273 AromaticContact NE2-CZ 3.35Å; H112-F273 VanDerWaalsContact NE2-CZ 3.35Å; H112-F273 WeakPolarHBondContact NE2-CZ 3.21Å; N269-F273 WeakPolarHBondContact O-CB 3.47Å; N269-F273 PolarHBondContact O-N 2.69Å; I271-F273 VanDerWaalsContact C-N 3.35Å; F273-T277 VanDerWaalsContact O-CB 3.26Å; F273-T277 WeakPolarHBondContact O-CB 3.23Å; F273-T277 PolarHBondContact O-N 3.3Å; F273-T277 VanDerWaalsContact O-N 3.08Å; F273-T277 PolarHBondContact O-OG1 2.86Å
274	C	95.3	Very high	95.8	Very high	65 Å²	65	72 Å²	72	44%	0.439	37%	0.37	S	S	.	.	H	α-helix	trans	-65.1	-48.5	-179.8	-73.9	0	0	0	0	111.9	E270 T277 Q278	E270-C274 WeakPolarHBondContact O-CB 3.42Å; E270-C274 PolarHBondContact O-N 3.41Å; E270-C274 PolarHBondContact O-SG 3.42Å; C274-T277 PolarHBondContact O-N 3.48Å; C274-Q278 WeakPolarHBondContact O-CB 3.28Å; C274-Q278 PolarHBondContact O-N 3.28Å
275	T	96.7	Very high	95.6	Very high	76 Å²	76	74.8 Å²	74.8	47%	0.466	38%	0.376	S	S	.	.	H	α-helix	trans	-66.9	-39.9	-177.3	54.1	0	0	0	0	112.7	I271 E272 K279	I271-T275 HydrophobicContact CG2-CG2 4.41Å; I271-T275 WeakPolarHBondContact O-CB 3.4Å; I271-T275 WeakPolarHBondContact O-CG2 3.2Å; I271-T275 PolarHBondContact O-N 2.95Å; I271-T275 PolarHBondContact O-OG1 2.69Å; E272-T275 PolarHBondContact O-OG1 3.2Å; T275-K279 WeakPolarHBondContact O-CB 3.36Å; T275-K279 PolarHBondContact O-N 3.1Å
276	L	94.5	Very high	95.5	Very high	60 Å²	60	78.2 Å²	78.2	31%	0.314	39%	0.388	S	S	.	.	H	α-helix	trans	-65.2	-40.4	174.7	179.2	60.1	0	0	0	111.8	E272 R280	E272-L276 WeakPolarHBondContact O-CB 3.47Å; E272-L276 PolarHBondContact O-N 3.15Å; L276-R280 WeakPolarHBondContact O-CD 3.28Å; L276-R280 WeakPolarHBondContact O-CG 3.42Å; L276-R280 PolarHBondContact O-N 3.44Å
277	T	95.5	Very high	95.1	Very high	24 Å²	24	78 Å²	78	15%	0.147	39%	0.386	C	S	.	.	H	α-helix	trans	-67.2	-49.1	178.5	-60.1	0	0	0	0	110.9	L108 F273 C274 K279 R280 F281	L108-T277 HydrophobicContact CD1-CG2 3.88Å; F273-T277 VanDerWaalsContact O-CB 3.26Å; F273-T277 WeakPolarHBondContact O-CB 3.23Å; F273-T277 PolarHBondContact O-N 3.3Å; F273-T277 VanDerWaalsContact O-N 3.08Å; F273-T277 PolarHBondContact O-OG1 2.86Å; C274-T277 PolarHBondContact O-N 3.48Å; T277-K279 VanDerWaalsContact C-N 3.35Å; T277-K279 PolarHBondContact O-N 2.95Å; T277-R280 PolarHBondContact O-N 2.84Å; T277-F281 HydrophobicContact CG2-CD2 3.86Å; T277-F281 HydrophobicContact CG2-CE2 3.95Å; T277-F281 WeakPolarHBondContact O-CD2 3.27Å; T277-F281 PolarHBondContact O-N 3.11Å; T277-F281 VanDerWaalsContact O-N 3.15Å
278	Q	97.2	Very high	94.8	Very high	142 Å²	142	76.3 Å²	76.3	66%	0.664	38%	0.375	S	S	*	.	H	α-helix	trans	-54.6	-49.1	176.1	-174.9	-175.6	12.6	0	0	111.5	C274 R280 F281 D282	C274-Q278 WeakPolarHBondContact O-CB 3.28Å; C274-Q278 PolarHBondContact O-N 3.28Å; Q278-R280 VanDerWaalsContact C-N 3.28Å; Q278-R280 PolarHBondContact O-N 2.86Å; Q278-F281 PolarHBondContact O-N 3.01Å; Q278-D282 VanDerWaalsContact O-CB 3.24Å; Q278-D282 WeakPolarHBondContact O-CB 3.49Å; Q278-D282 PolarHBondContact O-N 2.61Å
279	K	96.7	Very high	94.5	Very high	142 Å²	142	74.4 Å²	74.4	62%	0.617	38%	0.375	S	S	*	.	H	α-helix	trans	-60	-33.9	-179.5	-176.8	173.2	-178.9	173.6	0	113.4	T275 T277 N283	T275-K279 WeakPolarHBondContact O-CB 3.36Å; T275-K279 PolarHBondContact O-N 3.1Å; T277-K279 VanDerWaalsContact C-N 3.35Å; T277-K279 PolarHBondContact O-N 2.95Å; K279-N283 VanDerWaalsContact O-CG 3.29Å; K279-N283 PolarHBondContact O-N 2.95Å; K279-N283 PolarHBondContact O-ND2 3.38Å
280	R	94.4	Very high	94.2	Very high	57 Å²	57	76.9 Å²	76.9	22%	0.215	39%	0.385	C	S	.	.	H	α-helix	trans	-72	-49	177.5	-76.4	166.7	156.6	159.2	3.3	112.1	E104 L276 T277 Q278 N283 L284	E104-R280 HydrophobicContact CG-CB 4.43Å; E104-R280 IonicContact OE1-NE 3.02Å; E104-R280 WeakPolarHBondContact OE2-CD 3.33Å; E104-R280 IonicContact OE2-CZ 3.17Å; E104-R280 IonicContact OE2-NE 2.67Å; E104-R280 PolarHBondContact OE2-NE 3.28Å; L276-R280 WeakPolarHBondContact O-CD 3.28Å; L276-R280 WeakPolarHBondContact O-CG 3.42Å; L276-R280 PolarHBondContact O-N 3.44Å; T277-R280 PolarHBondContact O-N 2.84Å; Q278-R280 VanDerWaalsContact C-N 3.28Å; Q278-R280 PolarHBondContact O-N 2.86Å; R280-N283 PolarHBondContact O-N 2.88Å; R280-L284 PolarHBondContact O-N 3.24Å
281	F	96.6	Very high	93.8	Very high	66 Å²	66	77 Å²	77	29%	0.289	39%	0.388	S	S	.	.	H	α-helix	trans	-72.5	-29.9	-179.4	-75	-77	0	0	0	112.9	L101 L108 T277 Q278 L284 F285	L101-F281 HydrophobicContact CD1-CE1 4.03Å; L108-F281 HydrophobicContact CD2-CE2 4.22Å; L108-F281 HydrophobicContact CD2-CZ 4.44Å; T277-F281 HydrophobicContact CG2-CD2 3.86Å; T277-F281 HydrophobicContact CG2-CE2 3.95Å; T277-F281 WeakPolarHBondContact O-CD2 3.27Å; T277-F281 PolarHBondContact O-N 3.11Å; T277-F281 VanDerWaalsContact O-N 3.15Å; Q278-F281 PolarHBondContact O-N 3.01Å; F281-L284 HydrophobicContact CD1-CD2 4.16Å; F281-L284 HydrophobicContact CE1-CD2 4.33Å; F281-L284 PolarHBondContact O-N 2.95Å; F281-F285 VanDerWaalsContact O-CB 3.26Å; F281-F285 WeakPolarHBondContact O-CB 3.44Å; F281-F285 PolarHBondContact O-N 2.69Å
282	D	96.9	Very high	93.2	Very high	65 Å²	65	75.1 Å²	75.1	35%	0.348	38%	0.378	S	S	.	.	H	α-helix	trans	-63.7	-42.9	170	167.9	58.1	0	0	0	112.4	Q278 F285 K286	Q278-D282 VanDerWaalsContact O-CB 3.24Å; Q278-D282 WeakPolarHBondContact O-CB 3.49Å; Q278-D282 PolarHBondContact O-N 2.61Å; D282-F285 PolarHBondContact O-N 3.47Å; D282-K286 WeakPolarHBondContact O-CD 3.37Å; D282-K286 WeakPolarHBondContact O-CG 3.34Å; D282-K286 PolarHBondContact O-N 3.44Å; D282-K286 VanDerWaalsContact O-N 3.12Å; D282-K286 WeakPolarHBondContact OD1-CE 3.21Å; D282-K286 IonicContact OD1-NZ 2.62Å; D282-K286 PolarHBondContact OD1-NZ 2.91Å; D282-K286 IonicContact OD2-NZ 2.85Å; D282-K286 PolarHBondContact OD2-NZ 3.29Å
283	N	92.8	Very high	92.8	Very high	77 Å²	77	79.8 Å²	79.8	41%	0.412	39%	0.391	S	S	.	.	H	α-helix	trans	-60.7	-52	171.2	-75.4	-19.8	0	0	0	111.1	K279 R280 F285 K286 E287	K279-N283 VanDerWaalsContact O-CG 3.29Å; K279-N283 PolarHBondContact O-N 2.95Å; K279-N283 PolarHBondContact O-ND2 3.38Å; R280-N283 PolarHBondContact O-N 2.88Å; N283-F285 VanDerWaalsContact C-N 3.26Å; N283-F285 PolarHBondContact O-N 2.99Å; N283-K286 WeakPolarHBondContact O-CB 3.4Å; N283-K286 PolarHBondContact O-N 2.89Å; N283-K286 VanDerWaalsContact O-N 3.11Å; N283-E287 WeakPolarHBondContact O-CG 3.25Å; N283-E287 PolarHBondContact O-N 2.92Å
284	L	93.6	Very high	92.4	Very high	15 Å²	15	81.6 Å²	81.6	8%	0.079	41%	0.405	C	S	.	.	H	α-helix	trans	-59.9	-35.7	179.8	-177.4	65.3	0	0	0	112.6	I97 L101 R280 F281 E287 S288	I97-L284 HydrophobicContact CG2-CD1 4.31Å; L101-L284 HydrophobicContact CB-CD2 3.9Å; L101-L284 HydrophobicContact CD1-CD2 3.66Å; L101-L284 HydrophobicContact CG-CD2 4.39Å; R280-L284 PolarHBondContact O-N 3.24Å; F281-L284 HydrophobicContact CD1-CD2 4.16Å; F281-L284 HydrophobicContact CE1-CD2 4.33Å; F281-L284 PolarHBondContact O-N 2.95Å; L284-E287 PolarHBondContact O-N 3.16Å; L284-S288 WeakPolarHBondContact O-CB 3.44Å; L284-S288 PolarHBondContact O-N 3.03Å; L284-S288 PolarHBondContact O-OG 3.13Å
285	F	95.2	Very high	91.7	Very high	132 Å²	132	81.8 Å²	81.8	58%	0.579	40%	0.402	S	S	*	.	H	α-helix	trans	-61.9	-47.1	173.8	172.4	-105.3	0	0	0	111.7	F281 D282 N283 E287 S288 S289	F281-F285 VanDerWaalsContact O-CB 3.26Å; F281-F285 WeakPolarHBondContact O-CB 3.44Å; F281-F285 PolarHBondContact O-N 2.69Å; D282-F285 PolarHBondContact O-N 3.47Å; N283-F285 VanDerWaalsContact C-N 3.26Å; N283-F285 PolarHBondContact O-N 2.99Å; F285-E287 VanDerWaalsContact C-N 3.29Å; F285-E287 PolarHBondContact O-N 2.88Å; F285-S288 WeakPolarHBondContact CA-OG 3.26Å; F285-S288 PolarHBondContact O-N 3.44Å; F285-S288 PolarHBondContact O-OG 3.42Å; F285-S289 WeakPolarHBondContact O-CB 3.12Å; F285-S289 PolarHBondContact O-N 3.45Å; F285-S289 PolarHBondContact O-OG 2.88Å
286	K	93	Very high	91	Very high	101 Å²	101	80.1 Å²	80.1	44%	0.439	40%	0.396	S	S	.	.	H	α-helix	trans	-61	-36.6	175.3	-69.6	159.6	-178.8	163.5	0	112.4	D282 N283 Q290	D282-K286 WeakPolarHBondContact O-CD 3.37Å; D282-K286 WeakPolarHBondContact O-CG 3.34Å; D282-K286 PolarHBondContact O-N 3.44Å; D282-K286 VanDerWaalsContact O-N 3.12Å; D282-K286 WeakPolarHBondContact OD1-CE 3.21Å; D282-K286 IonicContact OD1-NZ 2.62Å; D282-K286 PolarHBondContact OD1-NZ 2.91Å; D282-K286 IonicContact OD2-NZ 2.85Å; D282-K286 PolarHBondContact OD2-NZ 3.29Å; N283-K286 WeakPolarHBondContact O-CB 3.4Å; N283-K286 PolarHBondContact O-N 2.89Å; N283-K286 VanDerWaalsContact O-N 3.11Å; K286-Q290 PolarHBondContact O-NE2 3.23Å
287	E	89.3	Confident	90.6	Very high	28 Å²	28	83.7 Å²	83.7	13%	0.131	41%	0.405	C	S	.	.	H	α-helix	trans	-72.2	-42.4	176.6	-63.7	-176.2	172.8	0	0	111.7	K90 Y92 I97 N283 L284 F285 S289 Q290	K90-E287 IonicContact NZ-OE1 3.66Å; K90-E287 PolarHBondContact NZ-OE1 2.62Å; Y92-E287 HydrophobicContact CD1-CB 3.74Å; Y92-E287 HydrophobicContact CD1-CG 4.14Å; Y92-E287 HydrophobicContact CE1-CB 3.68Å; Y92-E287 HydrophobicContact CE1-CG 3.54Å; I97-E287 HydrophobicContact CD1-CB 3.65Å; N283-E287 WeakPolarHBondContact O-CG 3.25Å; N283-E287 PolarHBondContact O-N 2.92Å; L284-E287 PolarHBondContact O-N 3.16Å; F285-E287 VanDerWaalsContact C-N 3.29Å; F285-E287 PolarHBondContact O-N 2.88Å; E287-S289 VanDerWaalsContact C-N 3.3Å; E287-S289 PolarHBondContact O-N 3.07Å; E287-Q290 PolarHBondContact O-N 3Å; E287-Q290 VanDerWaalsContact O-N 3.09Å
288	S	91.4	Very high	90	Very high	42 Å²	42	86.7 Å²	86.7	29%	0.294	42%	0.418	S	S	.	.	H	α-helix	trans	-64.4	-33.1	175.5	72.5	0	0	0	0	113.1	L284 F285 Q290 I291	L284-S288 WeakPolarHBondContact O-CB 3.44Å; L284-S288 PolarHBondContact O-N 3.03Å; L284-S288 PolarHBondContact O-OG 3.13Å; F285-S288 WeakPolarHBondContact CA-OG 3.26Å; F285-S288 PolarHBondContact O-N 3.44Å; F285-S288 PolarHBondContact O-OG 3.42Å; S288-Q290 PolarHBondContact O-N 3.42Å; S288-I291 WeakPolarHBondContact O-CB 3.46Å; S288-I291 WeakPolarHBondContact O-CD1 3.23Å; S288-I291 VanDerWaalsContact O-CG1 3.25Å; S288-I291 WeakPolarHBondContact O-CG1 3.28Å; S288-I291 PolarHBondContact O-N 2.9Å
289	S	91	Very high	89	Confident	77 Å²	77	80.7 Å²	80.7	54%	0.538	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-8	174.8	-63.8	0	0	0	0	113.9	F285 E287	F285-S289 WeakPolarHBondContact O-CB 3.12Å; F285-S289 PolarHBondContact O-N 3.45Å; F285-S289 PolarHBondContact O-OG 2.88Å; E287-S289 VanDerWaalsContact C-N 3.3Å; E287-S289 PolarHBondContact O-N 3.07Å
290	Q	86.9	Confident	88.3	Confident	93 Å²	93	78.2 Å²	78.2	44%	0.435	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	7.1	176.2	-69.3	170.1	87.4	0	0	113.1	Y92 K286 E287 S288 N292	Y92-Q290 HydrophobicContact CD2-CB 3.34Å; Y92-Q290 HydrophobicContact CD2-CG 4.29Å; Y92-Q290 HydrophobicContact CE2-CB 3.77Å; Y92-Q290 VanDerWaalsContact CE2-CD 3.45Å; Y92-Q290 HydrophobicContact CE2-CG 4.23Å; Y92-Q290 HydrophobicContact CG-CB 3.89Å; K286-Q290 PolarHBondContact O-NE2 3.23Å; E287-Q290 PolarHBondContact O-N 3Å; E287-Q290 VanDerWaalsContact O-N 3.09Å; S288-Q290 PolarHBondContact O-N 3.42Å; Q290-N292 PolarHBondContact O-N 2.59Å
291	I	86.8	Confident	87.8	Confident	75 Å²	75	77 Å²	77	39%	0.385	38%	0.377	S	S	.	.			trans	-60.5	122.7	170	-66.1	168.6	0	0	0	109	V94 I97 S288	V94-I291 HydrophobicContact CG2-CG2 3.85Å; I97-I291 HydrophobicContact CB-CD1 4.26Å; I97-I291 HydrophobicContact CG1-CD1 3.98Å; I97-I291 HydrophobicContact CG1-CG1 3.92Å; I97-I291 HydrophobicContact CG2-CD1 4.26Å; S288-I291 WeakPolarHBondContact O-CB 3.46Å; S288-I291 WeakPolarHBondContact O-CD1 3.23Å; S288-I291 VanDerWaalsContact O-CG1 3.25Å; S288-I291 WeakPolarHBondContact O-CG1 3.28Å; S288-I291 PolarHBondContact O-N 2.9Å
292	N	84.1	Confident	87.1	Confident	71 Å²	71	79.1 Å²	79.1	38%	0.38	39%	0.386	S	S	.	.			trans	-137	129	-177.9	-174.5	-27.9	0	0	0	110.7	Q290 T294 N295 A296	Q290-N292 PolarHBondContact O-N 2.59Å; N292-T294 VanDerWaalsContact C-N 3.26Å; N292-T294 PolarHBondContact O-N 3.28Å; N292-T294 WeakPolarHBondContact OD1-CB 3.25Å; N292-T294 PolarHBondContact OD1-N 2.89Å; N292-T294 PolarHBondContact OD1-OG1 3.18Å; N292-N295 HydrophobicContact CB-CB 4.24Å; N292-N295 PolarHBondContact O-N 3.09Å; N292-A296 PolarHBondContact O-N 2.67Å
293	R	87.7	Confident	86.2	Confident	226 Å²	226	81 Å²	81	85%	0.853	40%	0.396	S	S	*	.	H	α-helix	trans	-58.4	-36.7	179.2	-170.6	178.6	73.7	178.1	0.4	112.4	W297	R293-W297 WeakPolarHBondContact O-CB 3.36Å; R293-W297 PolarHBondContact O-N 2.64Å
294	T	85.4	Confident	85.7	Confident	80 Å²	80	78.8 Å²	78.8	49%	0.491	39%	0.386	S	S	.	.	H	α-helix	trans	-65.3	-48.7	178.4	-52.7	0	0	0	0	110.6	N292 A296 W297 E298	N292-T294 VanDerWaalsContact C-N 3.26Å; N292-T294 PolarHBondContact O-N 3.28Å; N292-T294 WeakPolarHBondContact OD1-CB 3.25Å; N292-T294 PolarHBondContact OD1-N 2.89Å; N292-T294 PolarHBondContact OD1-OG1 3.18Å; T294-A296 PolarHBondContact O-N 3.34Å; T294-W297 PolarHBondContact O-N 3.08Å; T294-E298 WeakPolarHBondContact O-CG 3.47Å; T294-E298 PolarHBondContact O-N 2.74Å
295	N	81	Confident	85	Confident	68 Å²	68	81.8 Å²	81.8	36%	0.364	41%	0.407	S	S	.	.	H	α-helix	trans	-59.3	-46.8	177.5	-58.9	15.1	0	0	0	110.9	N292 W297 E298 D299	N292-N295 HydrophobicContact CB-CB 4.24Å; N292-N295 PolarHBondContact O-N 3.09Å; N295-W297 VanDerWaalsContact C-N 3.31Å; N295-W297 PolarHBondContact O-N 3.44Å; N295-E298 PolarHBondContact O-N 2.73Å; N295-D299 WeakPolarHBondContact O-CB 3.18Å; N295-D299 PolarHBondContact O-N 3.09Å
296	A	82.1	Confident	84.3	Confident	41 Å²	41	82.5 Å²	82.5	34%	0.339	42%	0.416	S	S	.	.	H	α-helix	trans	-61.9	-36.6	178.4	0	0	0	0	0	113	N292 T294 F300	N292-A296 PolarHBondContact O-N 2.67Å; T294-A296 PolarHBondContact O-N 3.34Å; A296-F300 WeakPolarHBondContact O-CB 3.47Å; A296-F300 PolarHBondContact O-N 2.83Å
297	W	84.2	Confident	83.6	Confident	136 Å²	136	83.6 Å²	83.6	52%	0.515	42%	0.421	S	S	.	.	H	α-helix	trans	-69.6	-44.9	173.7	172.4	-114.8	0	0	0	112.4	R293 T294 N295 D299 F300 L301	R293-W297 WeakPolarHBondContact O-CB 3.36Å; R293-W297 PolarHBondContact O-N 2.64Å; T294-W297 PolarHBondContact O-N 3.08Å; N295-W297 VanDerWaalsContact C-N 3.31Å; N295-W297 PolarHBondContact O-N 3.44Å; W297-D299 VanDerWaalsContact C-N 3.29Å; W297-D299 PolarHBondContact O-N 2.9Å; W297-F300 AromaticContact CE3-CD1 3.84Å; W297-F300 HydrophobicContact CE3-CD1 3.84Å; W297-F300 HydrophobicContact CH2-CD1 4.34Å; W297-F300 HydrophobicContact CH2-CE1 4.46Å; W297-F300 AromaticContact CZ3-CD1 3.51Å; W297-F300 HydrophobicContact CZ3-CD1 3.51Å; W297-F300 AromaticContact CZ3-CE1 3.81Å; W297-F300 HydrophobicContact CZ3-CE1 3.81Å; W297-F300 WeakPolarHBondContact O-CB 3.43Å; W297-F300 PolarHBondContact O-N 3.32Å; W297-L301 HydrophobicContact CD2-CG 4.27Å; W297-L301 HydrophobicContact CH2-CD2 3.96Å; W297-L301 HydrophobicContact CH2-CG 4.48Å; W297-L301 HydrophobicContact CZ2-CD1 4.11Å; W297-L301 HydrophobicContact CZ2-CD2 3.64Å; W297-L301 HydrophobicContact CZ2-CG 3.96Å; W297-L301 WeakPolarHBondContact O-CG 3.38Å; W297-L301 PolarHBondContact O-N 3.33Å
298	E	83.2	Confident	82.9	Confident	87 Å²	87	87 Å²	87	41%	0.407	44%	0.44	S	S	.	.	H	α-helix	trans	-60.7	-39.5	174.7	-71.8	-176.4	-166.6	0	0	112.3	T294 N295 L301 K302	T294-E298 WeakPolarHBondContact O-CG 3.47Å; T294-E298 PolarHBondContact O-N 2.74Å; N295-E298 PolarHBondContact O-N 2.73Å; E298-L301 WeakPolarHBondContact O-CB 3.41Å; E298-L301 PolarHBondContact O-N 2.91Å; E298-K302 WeakPolarHBondContact O-CD 3.47Å; E298-K302 WeakPolarHBondContact O-CE 3.37Å; E298-K302 WeakPolarHBondContact O-CG 3.29Å; E298-K302 PolarHBondContact O-N 3.19Å; E298-K302 IonicContact OE2-NZ 2.8Å; E298-K302 PolarHBondContact OE2-NZ 3.38Å
299	D	75.9	Confident	82.2	Confident	16 Å²	16	92.4 Å²	92.4	9%	0.086	46%	0.458	C	S	.	.	H	α-helix	trans	-69	-36.7	178.7	-64.9	-17.7	0	0	0	111.1	Q91 N295 W297 K302 L303	Q91-D299 VanDerWaalsContact CD-CG 3.48Å; Q91-D299 VanDerWaalsContact CD-OD2 3.24Å; Q91-D299 VanDerWaalsContact CG-OD2 3.23Å; Q91-D299 WeakPolarHBondContact CG-OD2 3.11Å; Q91-D299 PolarHBondContact NE2-OD1 2.91Å; Q91-D299 PolarHBondContact NE2-OD2 3.41Å; N295-D299 WeakPolarHBondContact O-CB 3.18Å; N295-D299 PolarHBondContact O-N 3.09Å; W297-D299 VanDerWaalsContact C-N 3.29Å; W297-D299 PolarHBondContact O-N 2.9Å; D299-K302 PolarHBondContact O-N 2.89Å; D299-K302 IonicContact OD1-NZ 3.78Å; D299-K302 PolarHBondContact OD1-NZ 3.23Å; D299-L303 WeakPolarHBondContact O-CG 3.46Å; D299-L303 PolarHBondContact O-N 3.2Å
300	F	82.7	Confident	81.6	Confident	89 Å²	89	94.6 Å²	94.6	39%	0.39	47%	0.47	S	S	.	.	H	α-helix	trans	-62.3	-40.9	167.9	177.9	-98.7	0	0	0	112.7	A296 W297 L303 S304 F307	A296-F300 WeakPolarHBondContact O-CB 3.47Å; A296-F300 PolarHBondContact O-N 2.83Å; W297-F300 AromaticContact CE3-CD1 3.84Å; W297-F300 HydrophobicContact CE3-CD1 3.84Å; W297-F300 HydrophobicContact CH2-CD1 4.34Å; W297-F300 HydrophobicContact CH2-CE1 4.46Å; W297-F300 AromaticContact CZ3-CD1 3.51Å; W297-F300 HydrophobicContact CZ3-CD1 3.51Å; W297-F300 AromaticContact CZ3-CE1 3.81Å; W297-F300 HydrophobicContact CZ3-CE1 3.81Å; W297-F300 WeakPolarHBondContact O-CB 3.43Å; W297-F300 PolarHBondContact O-N 3.32Å; F300-L303 PolarHBondContact O-N 2.65Å; F300-S304 WeakPolarHBondContact O-CB 3.39Å; F300-S304 PolarHBondContact O-N 2.96Å; F300-S304 PolarHBondContact O-OG 3.11Å; F300-S304 VanDerWaalsContact O-OG 3.13Å; F300-F307 HydrophobicContact CD1-CE2 4.49Å; F300-F307 AromaticContact CE1-CD2 3.87Å; F300-F307 HydrophobicContact CE1-CD2 3.87Å; F300-F307 AromaticContact CE1-CE2 3.39Å; F300-F307 HydrophobicContact CE1-CE2 3.39Å; F300-F307 AromaticContact CE1-CZ 3.96Å; F300-F307 HydrophobicContact CE1-CZ 3.96Å; F300-F307 HydrophobicContact CZ-CD2 4.49Å; F300-F307 AromaticContact CZ-CE2 3.66Å; F300-F307 HydrophobicContact CZ-CE2 3.66Å; F300-F307 HydrophobicContact CZ-CZ 4.2Å
301	L	84.4	Confident	81.4	Confident	32 Å²	32	95.8 Å²	95.8	17%	0.168	48%	0.484	C	S	.	.	H	α-helix	trans	-65.2	-37.5	174.5	-72.3	179.3	0	0	0	112.8	W297 E298 S304 F307	W297-L301 HydrophobicContact CD2-CG 4.27Å; W297-L301 HydrophobicContact CH2-CD2 3.96Å; W297-L301 HydrophobicContact CH2-CG 4.48Å; W297-L301 HydrophobicContact CZ2-CD1 4.11Å; W297-L301 HydrophobicContact CZ2-CD2 3.64Å; W297-L301 HydrophobicContact CZ2-CG 3.96Å; W297-L301 WeakPolarHBondContact O-CG 3.38Å; W297-L301 PolarHBondContact O-N 3.33Å; E298-L301 WeakPolarHBondContact O-CB 3.41Å; E298-L301 PolarHBondContact O-N 2.91Å; L301-S304 CarbonylContact O-C 3.27Å; L301-S304 PolarHBondContact O-N 3.28Å; L301-F307 HydrophobicContact CD2-CB 3.36Å; L301-F307 HydrophobicContact CD2-CD2 4.39Å; L301-F307 HydrophobicContact CD2-CG 4.06Å
302	K	81.4	Confident	81.2	Confident	111 Å²	111	99.9 Å²	99.9	48%	0.483	50%	0.501	S	S	.	.	H	α-helix	trans	-63.7	-43.1	174.9	-69.3	158.3	-149	159.6	0	110.8	E298 D299	E298-K302 WeakPolarHBondContact O-CD 3.47Å; E298-K302 WeakPolarHBondContact O-CE 3.37Å; E298-K302 WeakPolarHBondContact O-CG 3.29Å; E298-K302 PolarHBondContact O-N 3.19Å; E298-K302 IonicContact OE2-NZ 2.8Å; E298-K302 PolarHBondContact OE2-NZ 3.38Å; D299-K302 PolarHBondContact O-N 2.89Å; D299-K302 IonicContact OD1-NZ 3.78Å; D299-K302 PolarHBondContact OD1-NZ 3.23Å
303	L	78.8	Confident	81.2	Confident	104 Å²	104	106.5 Å²	106.5	55%	0.545	52%	0.522	S	S	.	.	H	α-helix	trans	-71.9	-28.5	175.3	-69	168.8	0	0	0	113.3	D299 F300 P305	D299-L303 WeakPolarHBondContact O-CG 3.46Å; D299-L303 PolarHBondContact O-N 3.2Å; F300-L303 PolarHBondContact O-N 2.65Å; L303-P305 WeakPolarHBondContact O-CD 3.36Å
304	S	81.8	Confident	81	Confident	31 Å²	31	103.4 Å²	103.4	22%	0.217	52%	0.517	C	S	.	.			trans	-117.4	67.8	-174.3	-54.3	0	0	0	0	112.4	F300 L301 L306 F307	F300-S304 WeakPolarHBondContact O-CB 3.39Å; F300-S304 PolarHBondContact O-N 2.96Å; F300-S304 PolarHBondContact O-OG 3.11Å; F300-S304 VanDerWaalsContact O-OG 3.13Å; L301-S304 CarbonylContact O-C 3.27Å; L301-S304 PolarHBondContact O-N 3.28Å; S304-L306 PolarHBondContact O-N 3.04Å; S304-F307 WeakPolarHBondContact O-CD2 3.47Å; S304-F307 PolarHBondContact O-N 2.93Å; S304-F307 VanDerWaalsContact O-N 3.16Å
305	P	78.8	Confident	80.9	Confident	78 Å²	78	105.4 Å²	105.4	51%	0.506	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	2.1	-172.3	27.9	-37.5	0	0	0	115.5	L303	L303-P305 WeakPolarHBondContact O-CD 3.36Å
306	L	79.7	Confident	81.1	Confident	146 Å²	146	110.6 Å²	110.6	76%	0.764	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-38.8	169.1	-64.5	175.1	0	0	0	111.8	S304 N308 K309	S304-L306 PolarHBondContact O-N 3.04Å; L306-N308 PolarHBondContact O-N 2.85Å; L306-K309 PolarHBondContact O-N 2.88Å
307	F	79.5	Confident	81	Confident	124 Å²	124	112.1 Å²	112.1	54%	0.544	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-20.1	-178.1	-66.6	-77.3	0	0	0	113.5	F300 L301 S304 K309	F300-F307 HydrophobicContact CD1-CE2 4.49Å; F300-F307 AromaticContact CE1-CD2 3.87Å; F300-F307 HydrophobicContact CE1-CD2 3.87Å; F300-F307 AromaticContact CE1-CE2 3.39Å; F300-F307 HydrophobicContact CE1-CE2 3.39Å; F300-F307 AromaticContact CE1-CZ 3.96Å; F300-F307 HydrophobicContact CE1-CZ 3.96Å; F300-F307 HydrophobicContact CZ-CD2 4.49Å; F300-F307 AromaticContact CZ-CE2 3.66Å; F300-F307 HydrophobicContact CZ-CE2 3.66Å; F300-F307 HydrophobicContact CZ-CZ 4.2Å; L301-F307 HydrophobicContact CD2-CB 3.36Å; L301-F307 HydrophobicContact CD2-CD2 4.39Å; L301-F307 HydrophobicContact CD2-CG 4.06Å; S304-F307 WeakPolarHBondContact O-CD2 3.47Å; S304-F307 PolarHBondContact O-N 2.93Å; S304-F307 VanDerWaalsContact O-N 3.16Å; F307-K309 VanDerWaalsContact C-N 3.3Å; F307-K309 PolarHBondContact O-N 2.8Å
308	N	73.4	Confident	80.8	Confident	100 Å²	100	112.4 Å²	112.4	54%	0.535	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.3	8.2	179.3	-69.7	-12.1	0	0	0	113.8	L306 P310	L306-N308 PolarHBondContact O-N 2.85Å; N308-P310 WeakPolarHBondContact O-CD 3.18Å
309	K	77.1	Confident	80.5	Confident	156 Å²	156	118.5 Å²	118.5	68%	0.678	58%	0.583	S	S	*	*			trans	-116.5	89.6	-178.7	-66.7	-175	-179	-177.1	0	111.2	L306 F307 V311	L306-K309 PolarHBondContact O-N 2.88Å; F307-K309 VanDerWaalsContact C-N 3.3Å; F307-K309 PolarHBondContact O-N 2.8Å; K309-V311 PolarHBondContact O-N 2.8Å
310	P	78.7	Confident	80.4	Confident	122 Å²	122	121.7 Å²	121.7	79%	0.792	62%	0.621	S	S	*	*			trans	-65.3	132	177.4	27.2	-34	0	0	0	111	N308	N308-P310 WeakPolarHBondContact O-CD 3.18Å
311	V	82.5	Confident	80.4	Confident	118 Å²	118	120.8 Å²	120.8	72%	0.715	62%	0.619	S	S	*	*			trans	-82.3	117	171.5	179.1	0	0	0	0	108.3	K309 Y313	K309-V311 PolarHBondContact O-N 2.8Å; V311-Y313 HydrophobicContact CG1-CE2 4.27Å
312	Q	82.3	Confident	80	Confident	162 Å²	162	128.2 Å²	128.2	76%	0.757	65%	0.653	S	S	*	*			trans	-118.6	114.2	179.5	-174.8	176	8.5	0	0	110.5
313	Y	85.4	Confident	79.5	Confident	209 Å²	209	126.1 Å²	126.1	82%	0.82	65%	0.65	S	S	*	*			trans	-73.1	142.8	170	-57.2	-82.3	0	0	0	110.1	V311	V311-Y313 HydrophobicContact CG1-CE2 4.27Å
314	Q	82.9	Confident	79.1	Confident	161 Å²	161	126.4 Å²	126.4	75%	0.752	66%	0.656	S	S	*	*			trans	-119	162.5	177.6	-59.6	-173	29.1	0	0	109.8	E316	Q314-E316 PolarHBondContact O-N 3.5Å
315	F	83.5	Confident	78.6	Confident	123 Å²	123	133.1 Å²	133.1	54%	0.539	68%	0.682	S	S	.	*			trans	-73	124.1	173.9	174.6	-113.9	0	0	0	109.8	P317 T324	F315-P317 HydrophobicContact CD1-CB 4.37Å; F315-P317 HydrophobicContact CE1-CB 3.8Å; F315-P317 HydrophobicContact CE1-CG 4.49Å; F315-P317 HydrophobicContact CZ-CB 4.38Å; F315-P317 WeakPolarHBondContact O-CD 3.35Å; F315-T324 HydrophobicContact CD1-CG2 4.15Å; F315-T324 HydrophobicContact CE1-CG2 4.22Å
316	E	84.4	Confident	78.3	Confident	176 Å²	176	132.6 Å²	132.6	82%	0.822	67%	0.674	S	S	*	*			trans	-100.7	94.3	177	-65.9	-175.2	176.5	0	0	109.5	Q314 I318	Q314-E316 PolarHBondContact O-N 3.5Å; E316-I318 PolarHBondContact O-N 2.92Å
317	P	81.4	Confident	77.7	Confident	73 Å²	73	129.8 Å²	129.8	47%	0.474	67%	0.666	S	S	.	*			trans	-65.9	129.2	-178.4	25.1	-33.8	0	0	0	111.5	F315	F315-P317 HydrophobicContact CD1-CB 4.37Å; F315-P317 HydrophobicContact CE1-CB 3.8Å; F315-P317 HydrophobicContact CE1-CG 4.49Å; F315-P317 HydrophobicContact CZ-CB 4.38Å; F315-P317 WeakPolarHBondContact O-CD 3.35Å
318	I	79.9	Confident	76.8	Confident	142 Å²	142	126.5 Å²	126.5	73%	0.728	66%	0.658	S	S	*	*			trans	-69.7	142.2	172.4	-60.3	175.9	0	0	0	108.6	E316 G320 D321	E316-I318 PolarHBondContact O-N 2.92Å; I318-G320 PolarHBondContact O-N 3.02Å; I318-D321 PolarHBondContact O-N 2.59Å
319	K	76.3	Confident	75.7	Confident	215 Å²	215	126.3 Å²	126.3	94%	0.935	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.9	111.9	-176.9	-69.3	-176.4	178.7	179.7	0	112.1
320	G	74.2	Confident	74.4	Confident	84 Å²	84	123.7 Å²	123.7	87%	0.866	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	110.5	-6.5	-178.4	0	0	0	0	0	114.6	I318	I318-G320 PolarHBondContact O-N 3.02Å
321	D	83	Confident	73.2	Confident	69 Å²	69	123.7 Å²	123.7	37%	0.369	66%	0.661	S	S	.	*			trans	-94	120.3	170.5	-169.7	8.8	0	0	0	111.2	I318 T323	I318-D321 PolarHBondContact O-N 2.59Å; D321-T323 WeakPolarHBondContact OD1-CA 3.45Å; D321-T323 WeakPolarHBondContact OD1-CB 3.38Å; D321-T323 PolarHBondContact OD1-N 3.02Å; D321-T323 PolarHBondContact OD1-OG1 3.2Å
322	E	75.4	Confident	72	Confident	188 Å²	188	124.2 Å²	124.2	88%	0.879	66%	0.656	S	S	*	*			trans	-98.3	1.6	175.4	-58.7	-175.1	164.2	0	0	111.8	T324	E322-T324 PolarHBondContact O-N 3.24Å
323	T	70.1	Confident	71.1	Confident	68 Å²	68	118.3 Å²	118.3	42%	0.417	63%	0.633	S	S	.	*			trans	-99.1	76.8	-159.1	-34.3	0	0	0	0	113.1	D321 K325 C327	D321-T323 WeakPolarHBondContact OD1-CA 3.45Å; D321-T323 WeakPolarHBondContact OD1-CB 3.38Å; D321-T323 PolarHBondContact OD1-N 3.02Å; D321-T323 PolarHBondContact OD1-OG1 3.2Å; T323-K325 PolarHBondContact O-N 3.38Å; T323-K325 VanDerWaalsContact O-N 3.13Å; T323-C327 HydrophobicContact CG2-CB 4.43Å; T323-C327 VanDerWaalsContact CG2-SG 3.51Å
324	T	71.1	Confident	70.7	Confident	110 Å²	110	112.1 Å²	112.1	68%	0.675	61%	0.614	S	S	*	*			trans	-79.7	16.6	176.9	71.5	0	0	0	0	114.4	F315 E322	F315-T324 HydrophobicContact CD1-CG2 4.15Å; F315-T324 HydrophobicContact CE1-CG2 4.22Å; E322-T324 PolarHBondContact O-N 3.24Å
325	K	71.4	Confident	70.5	Confident	171 Å²	171	105.5 Å²	105.5	74%	0.743	58%	0.583	S	S	*	*	S	Bend	trans	-132.6	152.9	-173.5	-67.5	-175.6	-178.6	179.1	0	111	T323 C327	T323-K325 PolarHBondContact O-N 3.38Å; T323-K325 VanDerWaalsContact O-N 3.13Å; K325-C327 PolarHBondContact O-N 3.33Å
326	L	72.2	Confident	70.5	Confident	67 Å²	67	102.3 Å²	102.3	35%	0.351	57%	0.57	S	S	.	*			trans	-71.3	110.2	176.6	-133.2	155	0	0	0	109.4	L335 L432 L433	L326-L335 HydrophobicContact CD2-CD1 3.89Å; L326-L335 HydrophobicContact CD2-CD2 3.51Å; L326-L335 HydrophobicContact CD2-CG 4.38Å; L326-L432 HydrophobicContact CD1-CD2 3.8Å; L326-L432 HydrophobicContact CD1-CG 3.81Å; L326-L433 HydrophobicContact CD1-CD2 4.07Å; L326-L433 HydrophobicContact CD2-CD2 4.3Å
327	C	66.1	Low	70.4	Confident	88 Å²	88	99.7 Å²	99.7	60%	0.595	56%	0.558	S	S	*	*			trans	-107	127.9	-177.1	-73.4	0	0	0	0	111.6	T323 K325 A329	T323-C327 HydrophobicContact CG2-CB 4.43Å; T323-C327 VanDerWaalsContact CG2-SG 3.51Å; K325-C327 PolarHBondContact O-N 3.33Å; C327-A329 PolarHBondContact O-N 3.36Å
328	S	61.6	Low	70.6	Confident	54 Å²	54	100.4 Å²	100.4	38%	0.378	56%	0.557	S	S	.	*			trans	-79.9	103.5	170.1	-170.7	0	0	0	0	109.5	N331	S328-N331 PolarHBondContact OG-O 2.81Å
329	A	50.3	Low	71	Confident	97 Å²	97	93.6 Å²	93.6	80%	0.802	52%	0.522	S	S	*	.	S	Bend	trans	-73.9	-35.4	-174.9	0	0	0	0	0	113.4	C327	C327-A329 PolarHBondContact O-N 3.36Å
330	T	50	Low	71.5	Confident	101 Å²	101	86.7 Å²	86.7	62%	0.62	49%	0.49	S	S	*	.	S	Bend	trans	-155.8	122.2	174	47.1	0	0	0	0	109
331	N	53.7	Low	72.3	Confident	121 Å²	121	85 Å²	85	65%	0.647	46%	0.459	S	S	*	.			trans	60.7	119.8	-179.4	-53.6	-10.9	0	0	0	115.6	S328 S333 N334	S328-N331 PolarHBondContact OG-O 2.81Å; N331-S333 VanDerWaalsContact CB-OG 3.28Å; N331-S333 WeakPolarHBondContact CB-OG 3.39Å; N331-S333 PolarHBondContact O-N 3.03Å; N331-S333 VanDerWaalsContact O-N 3.1Å; N331-N334 PolarHBondContact O-N 3.2Å
332	E	57.2	Low	72.7	Confident	129 Å²	129	82.9 Å²	82.9	60%	0.603	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-27.9	172.3	-66.3	169.9	126.1	0	0	112.5	N334 L335 E336	E332-N334 PolarHBondContact O-N 3.23Å; E332-L335 PolarHBondContact O-N 2.95Å; E332-E336 PolarHBondContact O-N 3.16Å
333	S	63.9	Low	73.5	Confident	39 Å²	39	73.9 Å²	73.9	27%	0.273	41%	0.405	S	S	.	.	H	α-helix	trans	-46.5	-33.5	175.5	63.5	0	0	0	0	114.7	N331 Q337	N331-S333 VanDerWaalsContact CB-OG 3.28Å; N331-S333 WeakPolarHBondContact CB-OG 3.39Å; N331-S333 PolarHBondContact O-N 3.03Å; N331-S333 VanDerWaalsContact O-N 3.1Å; S333-Q337 VanDerWaalsContact O-CB 3.31Å; S333-Q337 WeakPolarHBondContact O-CB 3.5Å; S333-Q337 WeakPolarHBondContact O-CG 3.49Å; S333-Q337 PolarHBondContact O-N 3.25Å
334	N	75.8	Confident	74.4	Confident	79 Å²	79	76.8 Å²	76.8	42%	0.422	41%	0.409	S	S	.	.	H	α-helix	trans	-72.2	-42	-179	-70.2	2	0	0	0	111.5	N331 E332 Q337 I338	N331-N334 PolarHBondContact O-N 3.2Å; E332-N334 PolarHBondContact O-N 3.23Å; N334-Q337 PolarHBondContact O-N 2.99Å; N334-I338 WeakPolarHBondContact O-CG1 3.43Å; N334-I338 PolarHBondContact O-N 2.61Å; N334-I338 VanDerWaalsContact O-N 3.16Å
335	L	79.9	Confident	75.4	Confident	22 Å²	22	73.7 Å²	73.7	12%	0.115	39%	0.385	C	S	.	.	H	α-helix	trans	-72.9	-34.9	175.4	-61.6	-176	0	0	0	111.2	L326 E332 I338 A339 L433 I438	L326-L335 HydrophobicContact CD2-CD1 3.89Å; L326-L335 HydrophobicContact CD2-CD2 3.51Å; L326-L335 HydrophobicContact CD2-CG 4.38Å; E332-L335 PolarHBondContact O-N 2.95Å; L335-I338 HydrophobicContact CD2-CD1 4.43Å; L335-I338 PolarHBondContact O-N 3.22Å; L335-A339 WeakPolarHBondContact O-CB 3.31Å; L335-A339 PolarHBondContact O-N 3.2Å; L335-L433 HydrophobicContact CB-CD2 4.32Å; L335-L433 HydrophobicContact CD2-CD2 4.33Å; L335-I438 HydrophobicContact CB-CD1 3.5Å; L335-I438 VanDerWaalsContact CB-CD1 3.5Å; L335-I438 HydrophobicContact CD1-CD1 4.3Å
336	E	82.2	Confident	76.4	Confident	56 Å²	56	65.8 Å²	65.8	26%	0.262	35%	0.35	S	S	.	.	H	α-helix	trans	-64.9	-38	170.7	-62.1	174.9	-168.7	0	0	112.9	E332 I338 A339 R340 F443	E332-E336 PolarHBondContact O-N 3.16Å; E336-I338 VanDerWaalsContact C-N 3.32Å; E336-A339 PolarHBondContact O-N 2.87Å; E336-R340 WeakPolarHBondContact O-CB 3.33Å; E336-R340 WeakPolarHBondContact O-CG 3.23Å; E336-R340 PolarHBondContact O-N 3Å; E336-R340 IonicContact OE2-CZ 3.97Å; E336-R340 VanDerWaalsContact OE2-CZ 3.23Å; E336-R340 IonicContact OE2-NH1 2.72Å; E336-R340 PolarHBondContact OE2-NH1 3.32Å; E336-R340 IonicContact OE2-NH2 3.23Å; E336-R340 PolarHBondContact OE2-NH2 3.3Å; E336-F443 HydrophobicContact CB-CE2 4.12Å; E336-F443 HydrophobicContact CB-CZ 4.04Å; E336-F443 HydrophobicContact CG-CE2 4.23Å; E336-F443 HydrophobicContact CG-CZ 4.07Å
337	Q	83.5	Confident	77.4	Confident	120 Å²	120	63.1 Å²	63.1	56%	0.561	34%	0.337	S	S	*	.	H	α-helix	trans	-63.2	-41.5	175.3	-82.3	172.4	7.9	0	0	110.8	S333 N334 R340 K341	S333-Q337 VanDerWaalsContact O-CB 3.31Å; S333-Q337 WeakPolarHBondContact O-CB 3.5Å; S333-Q337 WeakPolarHBondContact O-CG 3.49Å; S333-Q337 PolarHBondContact O-N 3.25Å; N334-Q337 PolarHBondContact O-N 2.99Å; Q337-R340 PolarHBondContact O-N 2.87Å; Q337-K341 WeakPolarHBondContact O-CB 3.27Å; Q337-K341 PolarHBondContact O-N 3.1Å
338	I	85.4	Confident	78.5	Confident	88 Å²	88	63.5 Å²	63.5	45%	0.451	33%	0.332	S	S	.	.	H	α-helix	trans	-62.8	-43.9	171.8	-65.7	166	0	0	0	110.3	N334 L335 E336 K341 L342 L433	N334-I338 WeakPolarHBondContact O-CG1 3.43Å; N334-I338 PolarHBondContact O-N 2.61Å; N334-I338 VanDerWaalsContact O-N 3.16Å; L335-I338 HydrophobicContact CD2-CD1 4.43Å; L335-I338 PolarHBondContact O-N 3.22Å; E336-I338 VanDerWaalsContact C-N 3.32Å; I338-K341 PolarHBondContact O-N 3.42Å; I338-L342 HydrophobicContact CG2-CD1 3.84Å; I338-L342 HydrophobicContact CG2-CG 4.22Å; I338-L342 WeakPolarHBondContact O-CB 3.47Å; I338-L342 WeakPolarHBondContact O-CG 3.49Å; I338-L342 PolarHBondContact O-N 3.44Å; I338-L433 HydrophobicContact CG2-CD1 4.13Å
339	A	87.2	Confident	80	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-61.3	-47.7	176.6	0	0	0	0	0	112.1	L335 E336 K341 L342 S343 L433 I438 I440 F443	L335-A339 WeakPolarHBondContact O-CB 3.31Å; L335-A339 PolarHBondContact O-N 3.2Å; E336-A339 PolarHBondContact O-N 2.87Å; A339-K341 PolarHBondContact O-N 3.39Å; A339-L342 PolarHBondContact O-N 2.83Å; A339-S343 WeakPolarHBondContact O-CB 3.45Å; A339-S343 PolarHBondContact O-N 3.38Å; A339-S343 PolarHBondContact O-OG 2.85Å; A339-S343 VanDerWaalsContact O-OG 3.07Å; A339-L433 HydrophobicContact CB-CD1 4.37Å; A339-I438 HydrophobicContact CB-CG2 4.22Å; A339-I440 HydrophobicContact CB-CG1 4.46Å; A339-F443 HydrophobicContact CB-CD2 3.73Å; A339-F443 HydrophobicContact CB-CE2 4.14Å
340	R	87.9	Confident	82	Confident	70 Å²	70	60.2 Å²	60.2	26%	0.264	29%	0.292	S	S	.	.	H	α-helix	trans	-58	-45.2	173.7	-71.8	176.9	-169.5	101.7	2.6	111.7	E336 Q337 S343 R344 F443 E446	E336-R340 WeakPolarHBondContact O-CB 3.33Å; E336-R340 WeakPolarHBondContact O-CG 3.23Å; E336-R340 PolarHBondContact O-N 3Å; E336-R340 IonicContact OE2-CZ 3.97Å; E336-R340 VanDerWaalsContact OE2-CZ 3.23Å; E336-R340 IonicContact OE2-NH1 2.72Å; E336-R340 PolarHBondContact OE2-NH1 3.32Å; E336-R340 IonicContact OE2-NH2 3.23Å; E336-R340 PolarHBondContact OE2-NH2 3.3Å; Q337-R340 PolarHBondContact O-N 2.87Å; R340-S343 PolarHBondContact O-N 2.93Å; R340-R344 WeakPolarHBondContact O-CB 3.48Å; R340-R344 VanDerWaalsContact O-CG 3.29Å; R340-R344 WeakPolarHBondContact O-CG 3.31Å; R340-R344 PolarHBondContact O-N 3.36Å; R340-F443 HydrophobicContact CG-CB 4.29Å; R340-F443 HydrophobicContact CG-CD1 3.47Å; R340-F443 VanDerWaalsContact CG-CD1 3.47Å; R340-F443 HydrophobicContact CG-CD2 4.36Å; R340-F443 HydrophobicContact CG-CE1 3.86Å; R340-F443 HydrophobicContact CG-CG 3.78Å; R340-F443 HydrophobicContact CG-CZ 4.43Å; R340-F443 VanDerWaalsContact NE-CE1 3.33Å; R340-E446 IonicContact NE-OE2 2.73Å
341	K	89.6	Confident	84	Confident	49 Å²	49	61 Å²	61	21%	0.213	28%	0.284	C	S	.	.	H	α-helix	trans	-65.7	-43.9	177.2	178.4	157.4	-177.1	157.2	0	112	Q337 I338 A339 R344 R345 D670 I671	Q337-K341 WeakPolarHBondContact O-CB 3.27Å; Q337-K341 PolarHBondContact O-N 3.1Å; I338-K341 PolarHBondContact O-N 3.42Å; A339-K341 PolarHBondContact O-N 3.39Å; K341-R344 PolarHBondContact O-N 3.01Å; K341-R345 HydrophobicContact CG-CG 4.5Å; K341-R345 WeakPolarHBondContact O-CG 3.22Å; K341-R345 PolarHBondContact O-N 3.46Å; K341-D670 WeakPolarHBondContact CE-OD1 3.32Å; K341-D670 IonicContact NZ-OD1 2.82Å; K341-D670 PolarHBondContact NZ-OD1 3.49Å; K341-I671 WeakPolarHBondContact CE-O 3.24Å; K341-I671 PolarHBondContact NZ-O 2.9Å
342	L	91.4	Very high	85.8	Confident	23 Å²	23	57 Å²	57	12%	0.12	27%	0.265	C	S	.	.	H	α-helix	trans	-64.1	-41.6	176.6	-74.4	177	0	0	0	111.6	I338 A339 R345 L346 I426 C429 L430 L433	I338-L342 HydrophobicContact CG2-CD1 3.84Å; I338-L342 HydrophobicContact CG2-CG 4.22Å; I338-L342 WeakPolarHBondContact O-CB 3.47Å; I338-L342 WeakPolarHBondContact O-CG 3.49Å; I338-L342 PolarHBondContact O-N 3.44Å; A339-L342 PolarHBondContact O-N 2.83Å; L342-R345 PolarHBondContact O-N 3.47Å; L342-L346 WeakPolarHBondContact O-CB 3.08Å; L342-L346 PolarHBondContact O-N 3.4Å; L342-I426 HydrophobicContact CB-CG2 4.19Å; L342-I426 HydrophobicContact CD2-CG1 4.37Å; L342-I426 HydrophobicContact CD2-CG2 4.29Å; L342-I426 WeakPolarHBondContact O-CG2 3.13Å; L342-C429 HydrophobicContact CD1-CB 3.81Å; L342-L430 HydrophobicContact CB-CD2 3.52Å; L342-L430 HydrophobicContact CB-CG 4.03Å; L342-L430 HydrophobicContact CD1-CD2 4.1Å; L342-L430 HydrophobicContact CD1-CG 4.48Å; L342-L430 HydrophobicContact CG-CD2 4.49Å; L342-L433 HydrophobicContact CD1-CD1 3.91Å
343	S	92.2	Very high	87.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.9	-40	173.8	-66.8	0	0	0	0	112.6	A339 R340 L346 V347 F443 I444	A339-S343 WeakPolarHBondContact O-CB 3.45Å; A339-S343 PolarHBondContact O-N 3.38Å; A339-S343 PolarHBondContact O-OG 2.85Å; A339-S343 VanDerWaalsContact O-OG 3.07Å; R340-S343 PolarHBondContact O-N 2.93Å; S343-L346 WeakPolarHBondContact O-CB 3.25Å; S343-L346 PolarHBondContact O-N 2.9Å; S343-V347 WeakPolarHBondContact O-CG2 3.4Å; S343-V347 PolarHBondContact O-N 2.76Å; S343-F443 VanDerWaalsContact CB-O 3.31Å; S343-F443 WeakPolarHBondContact CB-O 3.31Å; S343-I444 WeakPolarHBondContact OG-CG1 3.29Å
344	R	90.2	Very high	88.9	Confident	129 Å²	129	55.4 Å²	55.4	49%	0.487	25%	0.251	S	S	.	.	H	α-helix	trans	-64.2	-44.4	172.6	-71.2	172	-171.9	-178.8	3.6	111.8	R340 K341 L346 V347 I348 E446 A447	R340-R344 WeakPolarHBondContact O-CB 3.48Å; R340-R344 VanDerWaalsContact O-CG 3.29Å; R340-R344 WeakPolarHBondContact O-CG 3.31Å; R340-R344 PolarHBondContact O-N 3.36Å; K341-R344 PolarHBondContact O-N 3.01Å; R344-L346 VanDerWaalsContact C-N 3.35Å; R344-L346 PolarHBondContact O-N 3.06Å; R344-V347 PolarHBondContact O-N 2.98Å; R344-I348 WeakPolarHBondContact O-CD1 3.4Å; R344-I348 VanDerWaalsContact O-CG1 3.3Å; R344-I348 WeakPolarHBondContact O-CG1 3.41Å; R344-I348 PolarHBondContact O-N 2.81Å; R344-I348 VanDerWaalsContact O-N 3.11Å; R344-E446 IonicContact CZ-OE1 3.88Å; R344-E446 IonicContact NE-OE1 2.74Å; R344-E446 IonicContact NH2-OE1 3.15Å; R344-E446 PolarHBondContact NH2-OE1 2.93Å; R344-A447 HydrophobicContact CG-CB 3.99Å
345	R	91.1	Very high	89.6	Confident	45 Å²	45	54.9 Å²	54.9	17%	0.17	25%	0.254	C	S	.	.	H	α-helix	trans	-60.2	-43.1	173.1	-69.4	177.3	87.6	-118.8	1.9	111.2	K341 L342 V347 I348 R349 E422 I426	K341-R345 HydrophobicContact CG-CG 4.5Å; K341-R345 WeakPolarHBondContact O-CG 3.22Å; K341-R345 PolarHBondContact O-N 3.46Å; L342-R345 PolarHBondContact O-N 3.47Å; R345-V347 PolarHBondContact O-N 3.23Å; R345-I348 PolarHBondContact O-N 2.85Å; R345-R349 WeakPolarHBondContact O-CG 3.09Å; R345-R349 PolarHBondContact O-N 2.86Å; R345-E422 IonicContact CZ-OE1 3.82Å; R345-E422 VanDerWaalsContact CZ-OE1 3.24Å; R345-E422 IonicContact NH1-OE1 2.75Å; R345-E422 PolarHBondContact NH1-OE1 3.14Å; R345-E422 IonicContact NH2-OE1 2.74Å; R345-E422 PolarHBondContact NH2-OE1 3.32Å; R345-I426 HydrophobicContact CB-CD1 3.72Å
346	L	92.8	Very high	90.2	Very high	5 Å²	5	57.1 Å²	57.1	3%	0.026	26%	0.261	C	S	.	.	H	α-helix	trans	-56.1	-53	177.8	-176	67.2	0	0	0	111	L342 S343 R344 I348 R349 E350 Q423 I426 E427 L430 I444	L342-L346 WeakPolarHBondContact O-CB 3.08Å; L342-L346 PolarHBondContact O-N 3.4Å; S343-L346 WeakPolarHBondContact O-CB 3.25Å; S343-L346 PolarHBondContact O-N 2.9Å; R344-L346 VanDerWaalsContact C-N 3.35Å; R344-L346 PolarHBondContact O-N 3.06Å; L346-I348 VanDerWaalsContact C-N 3.29Å; L346-I348 PolarHBondContact O-N 2.88Å; L346-R349 PolarHBondContact O-N 3.12Å; L346-R349 VanDerWaalsContact O-N 3.1Å; L346-E350 WeakPolarHBondContact O-CG 3.24Å; L346-E350 PolarHBondContact O-N 2.86Å; L346-Q423 HydrophobicContact CD1-CG 3.83Å; L346-I426 HydrophobicContact CB-CG2 3.87Å; L346-I426 HydrophobicContact CD1-CB 4.5Å; L346-I426 HydrophobicContact CD1-CG2 4.13Å; L346-E427 HydrophobicContact CD1-CG 3.73Å; L346-L430 HydrophobicContact CD2-CD1 3.93Å; L346-I444 HydrophobicContact CD2-CD1 3.93Å; L346-I444 HydrophobicContact CD2-CG1 4.21Å
347	V	92.5	Very high	90.8	Very high	10 Å²	10	57.2 Å²	57.2	6%	0.061	26%	0.261	C	S	.	.	H	α-helix	trans	-64.8	-32.2	-178.5	173.9	0	0	0	0	112.4	S343 R344 R345 R351 A447 R448 A451	S343-V347 WeakPolarHBondContact O-CG2 3.4Å; S343-V347 PolarHBondContact O-N 2.76Å; R344-V347 PolarHBondContact O-N 2.98Å; R345-V347 PolarHBondContact O-N 3.23Å; V347-R351 WeakPolarHBondContact O-CB 3.33Å; V347-R351 PolarHBondContact O-N 3.32Å; V347-A447 HydrophobicContact CB-CB 4.3Å; V347-A447 HydrophobicContact CG2-CB 3.73Å; V347-R448 HydrophobicContact CB-CG 4.48Å; V347-R448 HydrophobicContact CG1-CG 4.12Å; V347-R448 HydrophobicContact CG2-CB 4.46Å; V347-R448 HydrophobicContact CG2-CG 3.47Å; V347-R448 VanDerWaalsContact CG2-CG 3.47Å; V347-A451 HydrophobicContact CG1-CB 3.55Å
348	I	90.4	Very high	91.1	Very high	96 Å²	96	56.3 Å²	56.3	49%	0.492	26%	0.26	S	S	.	.	H	α-helix	trans	-64.9	-48.8	171.1	-67.9	163.9	0	0	0	110.3	R344 R345 L346 E350 R351 C352	R344-I348 WeakPolarHBondContact O-CD1 3.4Å; R344-I348 VanDerWaalsContact O-CG1 3.3Å; R344-I348 WeakPolarHBondContact O-CG1 3.41Å; R344-I348 PolarHBondContact O-N 2.81Å; R344-I348 VanDerWaalsContact O-N 3.11Å; R345-I348 PolarHBondContact O-N 2.85Å; L346-I348 VanDerWaalsContact C-N 3.29Å; L346-I348 PolarHBondContact O-N 2.88Å; I348-E350 PolarHBondContact O-N 3.43Å; I348-R351 WeakPolarHBondContact O-CB 3.36Å; I348-R351 PolarHBondContact O-N 3.19Å; I348-R351 VanDerWaalsContact O-N 3.11Å; I348-C352 PolarHBondContact O-N 2.83Å; I348-C352 PolarHBondContact O-SG 3.33Å; I348-C352 VanDerWaalsContact O-SG 3.38Å
349	R	91.8	Very high	91.2	Very high	51 Å²	51	55.4 Å²	55.4	19%	0.192	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-42.9	176.5	-61.5	-55.5	-179.3	-166.7	3.1	112	R345 L346 R351 C352 I353 E419 E422 I426	R345-R349 WeakPolarHBondContact O-CG 3.09Å; R345-R349 PolarHBondContact O-N 2.86Å; L346-R349 PolarHBondContact O-N 3.12Å; L346-R349 VanDerWaalsContact O-N 3.1Å; R349-R351 VanDerWaalsContact C-N 3.25Å; R349-R351 PolarHBondContact O-N 2.96Å; R349-C352 PolarHBondContact O-N 2.93Å; R349-I353 WeakPolarHBondContact O-CD1 3.25Å; R349-I353 VanDerWaalsContact O-CG1 3.27Å; R349-I353 WeakPolarHBondContact O-CG1 3.45Å; R349-I353 PolarHBondContact O-N 3.49Å; R349-E419 WeakPolarHBondContact CD-OE2 3.45Å; R349-E419 IonicContact CZ-OE1 3.21Å; R349-E419 IonicContact CZ-OE2 3.71Å; R349-E419 IonicContact NE-OE2 2.66Å; R349-E419 IonicContact NH1-OE1 3.98Å; R349-E419 PolarHBondContact NH1-OE1 3.13Å; R349-E419 IonicContact NH1-OE2 3.04Å; R349-E419 PolarHBondContact NH1-OE2 3.19Å; R349-E422 HydrophobicContact CG-CB 4.49Å; R349-E422 HydrophobicContact CG-CG 4.34Å; R349-I426 HydrophobicContact CG-CD1 4.11Å
350	E	92.8	Very high	91.3	Very high	32 Å²	32	57 Å²	57	15%	0.15	26%	0.262	C	S	.	.	H	α-helix	trans	-55.8	-38.7	172.8	-71.9	-170.2	141.2	0	0	112.5	L346 I348 K354 R448	L346-E350 WeakPolarHBondContact O-CG 3.24Å; L346-E350 PolarHBondContact O-N 2.86Å; I348-E350 PolarHBondContact O-N 3.43Å; E350-K354 WeakPolarHBondContact O-CD 3.4Å; E350-K354 VanDerWaalsContact O-CG 3.31Å; E350-K354 WeakPolarHBondContact O-CG 3.4Å; E350-K354 PolarHBondContact O-N 2.94Å; E350-R448 VanDerWaalsContact CD-NH2 3.35Å; E350-R448 IonicContact OE1-CZ 3.62Å; E350-R448 IonicContact OE1-NE 2.77Å; E350-R448 IonicContact OE1-NH2 2.82Å; E350-R448 PolarHBondContact OE1-NH2 3.41Å; E350-R448 IonicContact OE2-CZ 2.66Å; E350-R448 IonicContact OE2-NE 3.24Å; E350-R448 PolarHBondContact OE2-NE 3.01Å; E350-R448 IonicContact OE2-NH2 3.66Å; E350-R448 PolarHBondContact OE2-NH2 3.23Å
351	R	92.3	Very high	91.4	Very high	118 Å²	118	59.6 Å²	59.6	45%	0.445	28%	0.275	S	S	.	.	H	α-helix	trans	-74.3	-42.2	178.2	178.3	171.2	-73.9	178.7	-3.4	112	V347 I348 R349 K354 S355 A451	V347-R351 WeakPolarHBondContact O-CB 3.33Å; V347-R351 PolarHBondContact O-N 3.32Å; I348-R351 WeakPolarHBondContact O-CB 3.36Å; I348-R351 PolarHBondContact O-N 3.19Å; I348-R351 VanDerWaalsContact O-N 3.11Å; R349-R351 VanDerWaalsContact C-N 3.25Å; R349-R351 PolarHBondContact O-N 2.96Å; R351-K354 PolarHBondContact O-N 3.39Å; R351-S355 PolarHBondContact O-N 2.87Å; R351-A451 VanDerWaalsContact CZ-O 3.29Å; R351-A451 PolarHBondContact NH1-O 3Å; R351-A451 VanDerWaalsContact NH2-C 3.27Å; R351-A451 PolarHBondContact NH2-O 3.43Å
352	C	91.6	Very high	91.1	Very high	37 Å²	37	61.3 Å²	61.3	25%	0.25	29%	0.285	C	S	.	.	H	α-helix	trans	-62.2	-44.9	176.4	-69.4	0	0	0	0	111.6	I348 R349 K354 S355 Y356 E419	I348-C352 PolarHBondContact O-N 2.83Å; I348-C352 PolarHBondContact O-SG 3.33Å; I348-C352 VanDerWaalsContact O-SG 3.38Å; R349-C352 PolarHBondContact O-N 2.93Å; C352-K354 PolarHBondContact O-N 2.9Å; C352-S355 WeakPolarHBondContact O-CB 3.5Å; C352-S355 PolarHBondContact O-N 3.13Å; C352-S355 VanDerWaalsContact O-N 3.15Å; C352-Y356 HydrophobicContact CB-CE2 4.28Å; C352-Y356 WeakPolarHBondContact O-CD2 3.37Å; C352-Y356 PolarHBondContact O-N 3.41Å; C352-E419 HydrophobicContact CB-CG 4.02Å; C352-E419 VanDerWaalsContact CB-OE2 3.24Å; C352-E419 WeakPolarHBondContact CB-OE2 3.35Å
353	I	92.9	Very high	90.7	Very high	9 Å²	9	60.9 Å²	60.9	5%	0.046	28%	0.283	C	S	.	.	H	α-helix	trans	-55.3	-51.7	174.2	-68.9	161.8	0	0	0	110.9	R349 S355 Y356 E357 E419 K420 Q423	R349-I353 WeakPolarHBondContact O-CD1 3.25Å; R349-I353 VanDerWaalsContact O-CG1 3.27Å; R349-I353 WeakPolarHBondContact O-CG1 3.45Å; R349-I353 PolarHBondContact O-N 3.49Å; I353-S355 VanDerWaalsContact C-N 3.28Å; I353-S355 PolarHBondContact O-N 2.95Å; I353-Y356 PolarHBondContact O-N 3Å; I353-E357 HydrophobicContact CG2-CG 4.22Å; I353-E357 WeakPolarHBondContact CG2-OE1 3.33Å; I353-E357 WeakPolarHBondContact O-CB 3.31Å; I353-E357 WeakPolarHBondContact O-CG 3.47Å; I353-E357 PolarHBondContact O-N 3.25Å; I353-E419 HydrophobicContact CD1-CB 4.08Å; I353-E419 HydrophobicContact CG1-CB 3.48Å; I353-E419 VanDerWaalsContact CG1-CB 3.48Å; I353-E419 HydrophobicContact CG1-CG 4.48Å; I353-K420 HydrophobicContact CD1-CB 4.47Å; I353-K420 HydrophobicContact CD1-CG 3.58Å; I353-K420 HydrophobicContact CG1-CG 4.05Å; I353-Q423 HydrophobicContact CD1-CB 4.41Å
354	K	93.1	Very high	90.2	Very high	124 Å²	124	64.6 Å²	64.6	54%	0.539	30%	0.3	S	S	.	.	H	α-helix	trans	-62.6	-33.6	178.8	-72.1	169.3	-176.8	171.1	0	112.8	E350 R351 C352 N358	E350-K354 WeakPolarHBondContact O-CD 3.4Å; E350-K354 VanDerWaalsContact O-CG 3.31Å; E350-K354 WeakPolarHBondContact O-CG 3.4Å; E350-K354 PolarHBondContact O-N 2.94Å; R351-K354 PolarHBondContact O-N 3.39Å; C352-K354 PolarHBondContact O-N 2.9Å; K354-N358 WeakPolarHBondContact O-CB 3.06Å; K354-N358 PolarHBondContact O-N 2.92Å; K354-N358 PolarHBondContact O-ND2 2.64Å
355	S	90.9	Very high	89.6	Confident	69 Å²	69	61.5 Å²	61.5	48%	0.483	30%	0.302	S	S	.	.	H	α-helix	trans	-64.6	-49.6	175.2	-161.8	0	0	0	0	111.1	R351 C352 I353 N358 E359	R351-S355 PolarHBondContact O-N 2.87Å; C352-S355 WeakPolarHBondContact O-CB 3.5Å; C352-S355 PolarHBondContact O-N 3.13Å; C352-S355 VanDerWaalsContact O-N 3.15Å; I353-S355 VanDerWaalsContact C-N 3.28Å; I353-S355 PolarHBondContact O-N 2.95Å; S355-N358 PolarHBondContact O-N 2.77Å; S355-E359 PolarHBondContact O-N 2.91Å
356	Y	93.3	Very high	88.5	Confident	69 Å²	69	62.2 Å²	62.2	27%	0.271	32%	0.323	S	S	.	.	H	α-helix	trans	-69.7	-36.3	179.2	-61	-45.8	0	0	0	112.8	C352 I353 N358 E359 M360 L412 A415 I416 E419	C352-Y356 HydrophobicContact CB-CE2 4.28Å; C352-Y356 WeakPolarHBondContact O-CD2 3.37Å; C352-Y356 PolarHBondContact O-N 3.41Å; I353-Y356 PolarHBondContact O-N 3Å; Y356-N358 VanDerWaalsContact C-N 3.28Å; Y356-N358 PolarHBondContact O-N 2.93Å; Y356-E359 PolarHBondContact O-N 3.3Å; Y356-M360 VanDerWaalsContact O-CB 3.27Å; Y356-M360 WeakPolarHBondContact O-CB 3.42Å; Y356-M360 PolarHBondContact O-N 3.35Å; Y356-L412 HydrophobicContact CD1-CD2 3.47Å; Y356-L412 VanDerWaalsContact CD1-CD2 3.47Å; Y356-L412 HydrophobicContact CE1-CD2 4.28Å; Y356-L412 HydrophobicContact CG-CD2 4.05Å; Y356-A415 HydrophobicContact CD1-CB 4.4Å; Y356-A415 HydrophobicContact CD2-CB 3.79Å; Y356-A415 HydrophobicContact CE1-CB 4.32Å; Y356-A415 HydrophobicContact CE2-CB 3.7Å; Y356-A415 HydrophobicContact CG-CB 4.15Å; Y356-I416 VanDerWaalsContact CB-CG1 3.48Å; Y356-I416 HydrophobicContact CD2-CG1 4.49Å; Y356-I416 HydrophobicContact CG-CG1 4.44Å; Y356-E419 HydrophobicContact CD2-CG 4.22Å; Y356-E419 HydrophobicContact CE2-CG 3.85Å
357	E	92.8	Very high	86.9	Confident	57 Å²	57	69.1 Å²	69.1	27%	0.266	35%	0.35	S	S	.	.	H	α-helix	trans	-65.3	-31.4	173.9	-74.7	176.8	170.1	0	0	112.2	I353 K361 I416 K420	I353-E357 HydrophobicContact CG2-CG 4.22Å; I353-E357 WeakPolarHBondContact CG2-OE1 3.33Å; I353-E357 WeakPolarHBondContact O-CB 3.31Å; I353-E357 WeakPolarHBondContact O-CG 3.47Å; I353-E357 PolarHBondContact O-N 3.25Å; E357-K361 WeakPolarHBondContact O-CB 3.05Å; E357-K361 WeakPolarHBondContact O-CD 3.42Å; E357-K361 VanDerWaalsContact O-CG 3.24Å; E357-K361 WeakPolarHBondContact O-CG 3.37Å; E357-K361 PolarHBondContact O-N 3.35Å; E357-I416 HydrophobicContact CG-CD1 3.76Å; E357-I416 HydrophobicContact CG-CG1 4.2Å; E357-K420 WeakPolarHBondContact OE1-CE 3.24Å; E357-K420 IonicContact OE1-NZ 2.7Å; E357-K420 PolarHBondContact OE1-NZ 3.07Å
358	N	90.4	Very high	85.1	Confident	101 Å²	101	72 Å²	72	54%	0.54	37%	0.368	S	S	.	.	H	α-helix	trans	-74.4	-43.9	171.3	-72.6	-16.1	0	0	0	111.8	K354 S355 Y356 M360 K361 M362	K354-N358 WeakPolarHBondContact O-CB 3.06Å; K354-N358 PolarHBondContact O-N 2.92Å; K354-N358 PolarHBondContact O-ND2 2.64Å; S355-N358 PolarHBondContact O-N 2.77Å; Y356-N358 VanDerWaalsContact C-N 3.28Å; Y356-N358 PolarHBondContact O-N 2.93Å; N358-M360 VanDerWaalsContact C-N 3.35Å; N358-M360 PolarHBondContact O-N 3.46Å; N358-K361 PolarHBondContact O-N 3.46Å; N358-M362 VanDerWaalsContact O-CG 3.3Å; N358-M362 WeakPolarHBondContact O-CG 3.37Å; N358-M362 PolarHBondContact O-N 3.05Å
359	E	88.8	Confident	83	Confident	69 Å²	69	72.2 Å²	72.2	32%	0.322	37%	0.373	S	S	.	.	H	α-helix	trans	-60.2	-44.3	177.3	-166.1	-178.3	150.8	0	0	111.3	S355 Y356 K361 M362 L363 K408 L412	S355-E359 PolarHBondContact O-N 2.91Å; Y356-E359 PolarHBondContact O-N 3.3Å; E359-K361 PolarHBondContact O-N 3.1Å; E359-M362 PolarHBondContact O-N 3.24Å; E359-L363 HydrophobicContact CG-CD1 4.41Å; E359-L363 WeakPolarHBondContact O-CG 3.27Å; E359-L363 PolarHBondContact O-N 3.07Å; E359-K408 WeakPolarHBondContact OE1-CE 3.42Å; E359-K408 IonicContact OE1-NZ 3.66Å; E359-L412 HydrophobicContact CB-CD1 3.98Å; E359-L412 HydrophobicContact CB-CD2 4.21Å; E359-L412 HydrophobicContact CG-CD1 3.76Å; E359-L412 HydrophobicContact CG-CD2 4.24Å
360	M	89.4	Confident	80.5	Confident	33 Å²	33	74.3 Å²	74.3	16%	0.163	40%	0.396	C	S	.	.	H	α-helix	trans	-61.1	-45.2	176.4	-168.5	-176.6	80	0	0	111.6	Y356 N358 M362 L363 Q364 V409 L412 Q413 I416	Y356-M360 VanDerWaalsContact O-CB 3.27Å; Y356-M360 WeakPolarHBondContact O-CB 3.42Å; Y356-M360 PolarHBondContact O-N 3.35Å; N358-M360 VanDerWaalsContact C-N 3.35Å; N358-M360 PolarHBondContact O-N 3.46Å; M360-M362 PolarHBondContact O-N 2.92Å; M360-L363 PolarHBondContact O-N 3.42Å; M360-Q364 WeakPolarHBondContact O-CG 3.34Å; M360-Q364 PolarHBondContact O-N 2.89Å; M360-V409 HydrophobicContact CG-CG1 4.13Å; M360-V409 HydrophobicContact CG-CG2 4.21Å; M360-V409 HydrophobicContact SD-CG1 4.38Å; M360-L412 HydrophobicContact CB-CB 4.36Å; M360-L412 HydrophobicContact CB-CD1 4.23Å; M360-Q413 HydrophobicContact SD-CG 3.73Å; M360-I416 HydrophobicContact SD-CD1 4.14Å
361	K	88.6	Confident	77.9	Confident	126 Å²	126	78.6 Å²	78.6	55%	0.548	42%	0.424	S	S	.	.	H	α-helix	trans	-63.4	-38.3	175.1	-77	172.5	-178.4	177.2	0	113	E357 N358 E359 L363 A365	E357-K361 WeakPolarHBondContact O-CB 3.05Å; E357-K361 WeakPolarHBondContact O-CD 3.42Å; E357-K361 VanDerWaalsContact O-CG 3.24Å; E357-K361 WeakPolarHBondContact O-CG 3.37Å; E357-K361 PolarHBondContact O-N 3.35Å; N358-K361 PolarHBondContact O-N 3.46Å; E359-K361 PolarHBondContact O-N 3.1Å; K361-L363 VanDerWaalsContact C-N 3.34Å; K361-A365 WeakPolarHBondContact O-CB 3.37Å; K361-A365 PolarHBondContact O-N 3.35Å
362	M	84.5	Confident	75.2	Confident	85 Å²	85	77.4 Å²	77.4	42%	0.419	43%	0.434	S	S	.	.	H	α-helix	trans	-65.3	-39.2	176.3	-70.4	-64.7	-76.6	0	0	111.3	N358 E359 M360 A365 G366 Y367	N358-M362 VanDerWaalsContact O-CG 3.3Å; N358-M362 WeakPolarHBondContact O-CG 3.37Å; N358-M362 PolarHBondContact O-N 3.05Å; E359-M362 PolarHBondContact O-N 3.24Å; M360-M362 PolarHBondContact O-N 2.92Å; M362-A365 CarbonylContact O-C 3.56Å; M362-A365 PolarHBondContact O-N 2.82Å; M362-G366 PolarHBondContact O-N 3.22Å; M362-Y367 HydrophobicContact CE-CD1 4.45Å; M362-Y367 HydrophobicContact CE-CD2 4.13Å; M362-Y367 HydrophobicContact CE-CG 3.81Å; M362-Y367 WeakPolarHBondContact O-CA 3.49Å; M362-Y367 WeakPolarHBondContact O-CB 3.37Å; M362-Y367 PolarHBondContact O-N 3.16Å; M362-Y367 HydrophobicContact SD-CD2 4.3Å
363	L	82.7	Confident	72.4	Confident	14 Å²	14	81 Å²	81	7%	0.073	46%	0.46	C	S	.	.	H	α-helix	trans	-67.4	-47	174.8	-68.9	161.8	0	0	0	112.2	E359 M360 K361 A365 G366 K408 V409 L412	E359-L363 HydrophobicContact CG-CD1 4.41Å; E359-L363 WeakPolarHBondContact O-CG 3.27Å; E359-L363 PolarHBondContact O-N 3.07Å; M360-L363 PolarHBondContact O-N 3.42Å; K361-L363 VanDerWaalsContact C-N 3.34Å; L363-A365 PolarHBondContact O-N 2.75Å; L363-G366 PolarHBondContact O-N 2.7Å; L363-K408 HydrophobicContact CD1-CB 4.12Å; L363-K408 HydrophobicContact CD1-CG 3.44Å; L363-K408 VanDerWaalsContact CD1-CG 3.44Å; L363-K408 HydrophobicContact CD2-CG 4.49Å; L363-V409 HydrophobicContact CB-CG2 4.3Å; L363-L412 HydrophobicContact CD1-CD1 3.45Å; L363-L412 VanDerWaalsContact CD1-CD1 3.45Å
364	Q	81.5	Confident	69.8	Low	78 Å²	78	89.6 Å²	89.6	36%	0.364	50%	0.502	S	S	.	.	H	α-helix	trans	-60.4	-33.1	174.6	-70.8	178.4	-81.5	0	0	112.4	M360 G366 V409 E1014	M360-Q364 WeakPolarHBondContact O-CG 3.34Å; M360-Q364 PolarHBondContact O-N 2.89Å; Q364-G366 VanDerWaalsContact C-N 3.26Å; Q364-G366 PolarHBondContact O-N 2.7Å; Q364-V409 HydrophobicContact CG-CG2 4.34Å; Q364-E1014 PolarHBondContact NE2-OE1 3.3Å; Q364-E1014 PolarHBondContact NE2-OE2 2.73Å
365	A	77.9	Confident	67.3	Low	64 Å²	64	91 Å²	91	53%	0.529	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	9.4	174.3	0	0	0	0	0	114.3	K361 M362 L363 Y367	K361-A365 WeakPolarHBondContact O-CB 3.37Å; K361-A365 PolarHBondContact O-N 3.35Å; M362-A365 CarbonylContact O-C 3.56Å; M362-A365 PolarHBondContact O-N 2.82Å; L363-A365 PolarHBondContact O-N 2.75Å; A365-Y367 VanDerWaalsContact C-N 3.31Å; A365-Y367 HydrophobicContact CB-CD2 3.95Å; A365-Y367 HydrophobicContact CB-CE2 4.34Å; A365-Y367 WeakPolarHBondContact O-CD2 3.23Å; A365-Y367 PolarHBondContact O-N 2.74Å
366	G	68.4	Low	64.5	Low	59 Å²	59	93.6 Å²	93.6	61%	0.608	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	4.6	176	0	0	0	0	0	115.9	M362 L363 Q364 V368	M362-G366 PolarHBondContact O-N 3.22Å; L363-G366 PolarHBondContact O-N 2.7Å; Q364-G366 VanDerWaalsContact C-N 3.26Å; Q364-G366 PolarHBondContact O-N 2.7Å; G366-V368 VanDerWaalsContact C-N 3.33Å; G366-V368 PolarHBondContact O-N 2.99Å
367	Y	58	Low	61.4	Low	151 Å²	151	94.4 Å²	94.4	59%	0.592	56%	0.556	S	S	*	*			trans	-84.4	70.2	178.2	-69.2	-78.1	0	0	0	112	M362 A365 T369	M362-Y367 HydrophobicContact CE-CD1 4.45Å; M362-Y367 HydrophobicContact CE-CD2 4.13Å; M362-Y367 HydrophobicContact CE-CG 3.81Å; M362-Y367 WeakPolarHBondContact O-CA 3.49Å; M362-Y367 WeakPolarHBondContact O-CB 3.37Å; M362-Y367 PolarHBondContact O-N 3.16Å; M362-Y367 HydrophobicContact SD-CD2 4.3Å; A365-Y367 VanDerWaalsContact C-N 3.31Å; A365-Y367 HydrophobicContact CB-CD2 3.95Å; A365-Y367 HydrophobicContact CB-CE2 4.34Å; A365-Y367 WeakPolarHBondContact O-CD2 3.23Å; A365-Y367 PolarHBondContact O-N 2.74Å; Y367-T369 PolarHBondContact O-N 3.24Å; Y367-T369 PolarHBondContact O-OG1 2.78Å
368	V	54.9	Low	58.6	Low	71 Å²	71	96.5 Å²	96.5	43%	0.43	58%	0.577	S	S	.	*			trans	-63.9	95.9	172.6	-175.1	0	0	0	0	109.9	G366 S370 Y404 V405	G366-V368 VanDerWaalsContact C-N 3.33Å; G366-V368 PolarHBondContact O-N 2.99Å; V368-S370 PolarHBondContact O-N 3.33Å; V368-Y404 HydrophobicContact CG1-CE1 4.46Å; V368-V405 HydrophobicContact CG2-CG2 4.45Å
369	T	47	Very low	55.7	Low	99 Å²	99	99 Å²	99	61%	0.607	59%	0.59	S	S	*	*			trans	-77.8	118.8	177.4	-59.6	0	0	0	0	109.2	Y367 V371	Y367-T369 PolarHBondContact O-N 3.24Å; Y367-T369 PolarHBondContact O-OG1 2.78Å; T369-V371 PolarHBondContact O-N 2.66Å
370	S	38.7	Very low	53.2	Low	96 Å²	96	104.8 Å²	104.8	67%	0.671	62%	0.617	S	S	*	*			trans	-69.8	93.3	-175.9	-173.5	0	0	0	0	112.3	V368 S372	V368-S370 PolarHBondContact O-N 3.33Å; S370-S372 PolarHBondContact O-N 2.94Å
371	V	39	Very low	50.6	Low	122 Å²	122	111.9 Å²	111.9	74%	0.739	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	66.4	174.7	-169.1	0	0	0	0	110.2	T369	T369-V371 PolarHBondContact O-N 2.66Å
372	S	35	Very low	48.1	Very low	93 Å²	93	113.7 Å²	113.7	65%	0.65	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.3	0.8	171.5	-74.3	0	0	0	0	113.6	S370	S370-S372 PolarHBondContact O-N 2.94Å
373	S	33.4	Very low	45.6	Very low	113 Å²	113	117.7 Å²	117.7	79%	0.79	68%	0.681	S	S	*	*	S	Bend	trans	-97.9	-5.4	-175.3	-148.9	0	0	0	0	115.3
374	M	37.5	Very low	43.4	Very low	188 Å²	188	123.9 Å²	123.9	93%	0.926	71%	0.71	S	S	*	*	S	Bend	trans	-109.5	-1.9	-170.7	-68.8	-170.7	177	0	0	116.5
375	I	40.2	Very low	41.1	Very low	153 Å²	153	127.8 Å²	127.8	79%	0.785	73%	0.728	S	S	*	*	S	Bend	trans	-121.1	-26.3	-169.9	-63.6	-178.8	0	0	0	114.4	G377	I375-G377 PolarHBondContact O-N 3.34Å
376	T	33.2	Very low	38.8	Very low	125 Å²	125	129.1 Å²	129.1	77%	0.767	73%	0.733	S	S	*	*			trans	-102.9	57	-171.5	50.4	0	0	0	0	114.1	S378	T376-S378 PolarHBondContact O-N 3.22Å
377	G	27.4	Very low	36.9	Very low	85 Å²	85	133 Å²	133	88%	0.876	75%	0.746	S	S	*	*			trans	-88.8	35.2	-175.6	0	0	0	0	0	117.3	I375	I375-G377 PolarHBondContact O-N 3.34Å
378	S	33.4	Very low	35.5	Very low	102 Å²	102	133.9 Å²	133.9	71%	0.713	76%	0.761	S	S	*	*	S	Bend	trans	-158.8	114.2	170.9	65.8	0	0	0	0	115.7	T376	T376-S378 PolarHBondContact O-N 3.22Å
379	N	30.7	Very low	34.3	Very low	152 Å²	152	135.6 Å²	135.6	81%	0.813	78%	0.775	S	S	*	*			trans	28.6	109.6	148	-57.8	-23.6	0	0	0	119.3
380	H	36.3	Very low	33.6	Very low	191 Å²	191	137.8 Å²	137.8	88%	0.884	78%	0.779	S	S	*	*				-154.7	132.9	111.2	-107.9	60.6	0	0	0	111
381	Q	33.4	Very low	33.5	Very low	182 Å²	182	139.3 Å²	139.3	85%	0.85	79%	0.785	S	S	*	*			trans	-88.8	138.9	166.7	-65.5	172.2	-16.7	0	0	108.5
382	I	38.1	Very low	33.3	Very low	165 Å²	165	141.9 Å²	141.9	85%	0.846	79%	0.788	S	S	*	*			trans	-167.3	89.1	135.9	-94.2	148.4	0	0	0	108.9
383	Q	31.5	Very low	33.4	Very low	168 Å²	168	140.5 Å²	140.5	79%	0.785	77%	0.774	S	S	*	*			trans	-15.1	116.3	141.4	168.5	-176.6	51.7	0	0	116.6
384	Q	35	Very low	33.7	Very low	144 Å²	144	139.7 Å²	139.7	67%	0.673	76%	0.761	S	S	*	*				-174.9	145.1	111	-112.2	146.1	122.5	0	0	114.9
385	Q	33.4	Very low	33.8	Very low	160 Å²	160	133.4 Å²	133.4	75%	0.748	73%	0.731	S	S	*	*			trans	43.3	142.1	140.9	-69.8	163.2	12.9	0	0	121.3
386	S	30	Very low	33.7	Very low	92 Å²	92	132.9 Å²	132.9	64%	0.643	73%	0.725	S	S	*	*			cis	163.4	133.4	-27.5	44.3	0	0	0	0	108.2
387	T	29.8	Very low	34.1	Very low	142 Å²	142	131.6 Å²	131.6	87%	0.871	71%	0.713	S	S	*	*			trans	-171.6	155.1	139.9	8.9	0	0	0	0	109.1
388	N	28.5	Very low	34.8	Very low	169 Å²	169	132.3 Å²	132.3	90%	0.904	70%	0.696	S	S	*	*			trans	-113.5	121.6	-172.8	-57	-21.5	0	0	0	110.8
389	S	29.8	Very low	35.4	Very low	106 Å²	106	130.4 Å²	130.4	74%	0.741	69%	0.687	S	S	*	*			trans	-160	160.5	164.2	49.3	0	0	0	0	107.8
390	E	31.4	Very low	36.2	Very low	145 Å²	145	130.2 Å²	130.2	68%	0.678	68%	0.679	S	S	*	*			trans	98.4	77.9	-177.1	-58.1	167.2	-142.2	0	0	115.6	N393	E390-N393 VanDerWaalsContact CD-ND2 3.33Å; E390-N393 WeakPolarHBondContact CG-ND2 3.47Å; E390-N393 PolarHBondContact OE2-ND2 3.32Å
391	T	35.6	Very low	37.6	Very low	129 Å²	129	124.3 Å²	124.3	79%	0.791	65%	0.654	S	S	*	*	S	Bend	trans	-113.7	3.7	160.7	36.9	0	0	0	0	113.4	N394	T391-N394 PolarHBondContact O-ND2 2.85Å
392	E	35.7	Very low	39.4	Very low	175 Å²	175	120.7 Å²	120.7	82%	0.818	64%	0.637	S	S	*	*	S	Bend	trans	-97.9	-20.3	179.9	-65	177	140.9	0	0	112.8	N394	E392-N394 PolarHBondContact O-N 2.98Å
393	N	37.7	Very low	41.2	Very low	65 Å²	65	118.4 Å²	118.4	35%	0.348	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.1	2.9	-175.8	-71.7	0.5	0	0	0	115.4	E390 N395 E396 L397	E390-N393 VanDerWaalsContact CD-ND2 3.33Å; E390-N393 WeakPolarHBondContact CG-ND2 3.47Å; E390-N393 PolarHBondContact OE2-ND2 3.32Å; N393-N395 PolarHBondContact O-N 3.12Å; N393-E396 PolarHBondContact O-N 3.07Å; N393-L397 VanDerWaalsContact O-CB 3.3Å; N393-L397 WeakPolarHBondContact O-CB 3.48Å; N393-L397 PolarHBondContact O-N 3Å
394	N	38.6	Very low	43.5	Very low	96 Å²	96	115.6 Å²	115.6	51%	0.513	61%	0.605	S	S	.	*	H	α-helix	trans	-69.2	-29	-169.2	-74.7	-65.8	0	0	0	114.8	T391 E392 L398	T391-N394 PolarHBondContact O-ND2 2.85Å; E392-N394 PolarHBondContact O-N 2.98Å; N394-L398 WeakPolarHBondContact O-CG 3.4Å; N394-L398 PolarHBondContact O-N 2.75Å; N394-L398 VanDerWaalsContact O-N 3.13Å
395	N	39.1	Very low	45.7	Very low	56 Å²	56	110 Å²	110	30%	0.299	58%	0.581	S	S	.	*	H	α-helix	trans	-79	-34.6	175.3	-68.3	-27.5	0	0	0	111.8	N393 L397 L398 A399 T842 N843	N393-N395 PolarHBondContact O-N 3.12Å; N395-L397 VanDerWaalsContact C-N 3.34Å; N395-L398 PolarHBondContact O-N 3.16Å; N395-A399 PolarHBondContact O-N 2.88Å; N395-A399 VanDerWaalsContact O-N 3.1Å; N395-T842 PolarHBondContact ND2-O 3.37Å; N395-T842 PolarHBondContact OD1-O 3.47Å; N395-N843 PolarHBondContact ND2-OD1 3.31Å; N395-N843 VanDerWaalsContact ND2-OD1 3.08Å
396	E	39.8	Very low	48.1	Very low	141 Å²	141	107.3 Å²	107.3	66%	0.659	57%	0.568	S	S	*	*	H	α-helix	trans	-66.8	-37.6	170.5	-164.8	166.3	-143.2	0	0	110.7	N393 L398 A399 F400	N393-E396 PolarHBondContact O-N 3.07Å; E396-L398 VanDerWaalsContact C-N 3.28Å; E396-L398 PolarHBondContact O-N 3.33Å; E396-A399 PolarHBondContact O-N 3.41Å; E396-F400 WeakPolarHBondContact O-CB 3.29Å; E396-F400 PolarHBondContact O-N 3.02Å
397	L	40.8	Very low	50.7	Low	98 Å²	98	107.3 Å²	107.3	51%	0.513	56%	0.561	S	S	.	*	H	α-helix	trans	-68.4	-21.2	173.6	-159.9	112.7	0	0	0	113.8	N393 N395 N401	N393-L397 VanDerWaalsContact O-CB 3.3Å; N393-L397 WeakPolarHBondContact O-CB 3.48Å; N393-L397 PolarHBondContact O-N 3Å; N395-L397 VanDerWaalsContact C-N 3.34Å; L397-N401 WeakPolarHBondContact O-CB 3.26Å; L397-N401 PolarHBondContact O-N 2.84Å; L397-N401 VanDerWaalsContact O-N 3.07Å; L397-N401 PolarHBondContact O-ND2 2.75Å; L397-N401 VanDerWaalsContact O-ND2 3.14Å
398	L	43.2	Very low	53.4	Low	101 Å²	101	102.2 Å²	102.2	53%	0.529	53%	0.527	S	S	.	.	H	α-helix	trans	-79.5	-41.2	170.4	-78.3	169.1	0	0	0	111.5	N394 N395 E396 F400 N401 Q402	N394-L398 WeakPolarHBondContact O-CG 3.4Å; N394-L398 PolarHBondContact O-N 2.75Å; N394-L398 VanDerWaalsContact O-N 3.13Å; N395-L398 PolarHBondContact O-N 3.16Å; E396-L398 VanDerWaalsContact C-N 3.28Å; E396-L398 PolarHBondContact O-N 3.33Å; L398-F400 VanDerWaalsContact C-N 3.33Å; L398-N401 PolarHBondContact O-N 3.03Å; L398-Q402 PolarHBondContact O-N 2.8Å
399	A	44.6	Very low	56.3	Low	62 Å²	62	95 Å²	95	51%	0.512	49%	0.489	S	S	.	.	H	α-helix	trans	-60.6	-43.6	169.4	0	0	0	0	0	111.2	N395 E396 N401 Q402 E403	N395-A399 PolarHBondContact O-N 2.88Å; N395-A399 VanDerWaalsContact O-N 3.1Å; E396-A399 PolarHBondContact O-N 3.41Å; A399-N401 VanDerWaalsContact C-N 3.31Å; A399-N401 PolarHBondContact O-N 3.36Å; A399-Q402 PolarHBondContact O-N 3.42Å; A399-Q402 VanDerWaalsContact O-N 3.15Å; A399-E403 WeakPolarHBondContact O-CB 3.42Å; A399-E403 PolarHBondContact O-N 3.47Å
400	F	48.3	Very low	59	Low	148 Å²	148	96.3 Å²	96.3	65%	0.649	48%	0.483	S	S	*	.	H	α-helix	trans	-63.3	-34	176.1	-152	-87.3	0	0	0	112.5	E396 L398 Y404	E396-F400 WeakPolarHBondContact O-CB 3.29Å; E396-F400 PolarHBondContact O-N 3.02Å; L398-F400 VanDerWaalsContact C-N 3.33Å; F400-Y404 WeakPolarHBondContact O-CB 3.45Å; F400-Y404 PolarHBondContact O-N 3.47Å
401	N	64.4	Low	61.8	Low	67 Å²	67	94.4 Å²	94.4	36%	0.358	47%	0.474	S	S	.	.	H	α-helix	trans	-70.1	-41.3	171.4	-98.2	-56.4	0	0	0	112.4	L397 L398 A399 Y404 V405	L397-N401 WeakPolarHBondContact O-CB 3.26Å; L397-N401 PolarHBondContact O-N 2.84Å; L397-N401 VanDerWaalsContact O-N 3.07Å; L397-N401 PolarHBondContact O-ND2 2.75Å; L397-N401 VanDerWaalsContact O-ND2 3.14Å; L398-N401 PolarHBondContact O-N 3.03Å; A399-N401 VanDerWaalsContact C-N 3.31Å; A399-N401 PolarHBondContact O-N 3.36Å; N401-Y404 PolarHBondContact O-N 2.7Å; N401-V405 WeakPolarHBondContact O-CB 3.3Å; N401-V405 VanDerWaalsContact O-CG2 3.3Å; N401-V405 WeakPolarHBondContact O-CG2 3.49Å; N401-V405 PolarHBondContact O-N 3.03Å
402	Q	71.2	Confident	64.4	Low	105 Å²	105	88.3 Å²	88.3	49%	0.491	44%	0.437	S	S	.	.	H	α-helix	trans	-66.1	-48.3	178.2	-176.2	62.2	24.9	0	0	110.8	L398 A399 Y404 V405 E406	L398-Q402 PolarHBondContact O-N 2.8Å; A399-Q402 PolarHBondContact O-N 3.42Å; A399-Q402 VanDerWaalsContact O-N 3.15Å; Q402-Y404 VanDerWaalsContact C-N 3.31Å; Q402-Y404 PolarHBondContact O-N 2.92Å; Q402-V405 PolarHBondContact O-N 2.81Å; Q402-E406 WeakPolarHBondContact CG-OE1 3.41Å; Q402-E406 PolarHBondContact NE2-OE1 2.79Å; Q402-E406 WeakPolarHBondContact O-CB 3.43Å; Q402-E406 WeakPolarHBondContact O-CG 3.29Å; Q402-E406 PolarHBondContact O-N 2.9Å
403	E	76.3	Confident	67.1	Low	118 Å²	118	85 Å²	85	55%	0.551	42%	0.422	S	S	*	.	H	α-helix	trans	-62.2	-37.5	174.8	-179.7	173.7	-171.3	0	0	111.5	A399 N407	A399-E403 WeakPolarHBondContact O-CB 3.42Å; A399-E403 PolarHBondContact O-N 3.47Å; E403-N407 VanDerWaalsContact CG-ND2 3.31Å; E403-N407 WeakPolarHBondContact CG-ND2 3.4Å; E403-N407 VanDerWaalsContact O-CB 3.29Å; E403-N407 WeakPolarHBondContact O-CB 3.45Å; E403-N407 PolarHBondContact O-N 2.84Å; E403-N407 PolarHBondContact O-ND2 3.35Å
404	Y	80.9	Confident	69.6	Low	108 Å²	108	87.3 Å²	87.3	42%	0.424	43%	0.429	S	S	.	.	H	α-helix	trans	-64.2	-44.2	172.3	172.9	-96.5	0	0	0	112.3	V368 F400 N401 Q402 K408	V368-Y404 HydrophobicContact CG1-CE1 4.46Å; F400-Y404 WeakPolarHBondContact O-CB 3.45Å; F400-Y404 PolarHBondContact O-N 3.47Å; N401-Y404 PolarHBondContact O-N 2.7Å; Q402-Y404 VanDerWaalsContact C-N 3.31Å; Q402-Y404 PolarHBondContact O-N 2.92Å; Y404-K408 WeakPolarHBondContact O-CB 3.17Å; Y404-K408 PolarHBondContact O-N 3.19Å
405	V	81	Confident	72.2	Confident	26 Å²	26	82.9 Å²	82.9	16%	0.158	41%	0.405	C	S	.	.	H	α-helix	trans	-65.5	-42.5	177.5	166.5	0	0	0	0	110.7	V368 N401 Q402 K408 V409	V368-V405 HydrophobicContact CG2-CG2 4.45Å; N401-V405 WeakPolarHBondContact O-CB 3.3Å; N401-V405 VanDerWaalsContact O-CG2 3.3Å; N401-V405 WeakPolarHBondContact O-CG2 3.49Å; N401-V405 PolarHBondContact O-N 3.03Å; Q402-V405 PolarHBondContact O-N 2.81Å; V405-K408 PolarHBondContact O-N 3.27Å; V405-V409 HydrophobicContact CG1-CG2 4.3Å; V405-V409 VanDerWaalsContact O-CB 3.28Å; V405-V409 WeakPolarHBondContact O-CB 3.32Å; V405-V409 VanDerWaalsContact O-CG2 3.22Å; V405-V409 WeakPolarHBondContact O-CG2 3.48Å; V405-V409 PolarHBondContact O-N 2.67Å
406	E	83.1	Confident	74.7	Confident	104 Å²	104	80.9 Å²	80.9	49%	0.486	40%	0.395	S	S	.	.	H	α-helix	trans	-62	-53	175.7	-74.1	172.7	-173.7	0	0	111.1	Q402 K408 V409 E410	Q402-E406 WeakPolarHBondContact CG-OE1 3.41Å; Q402-E406 PolarHBondContact NE2-OE1 2.79Å; Q402-E406 WeakPolarHBondContact O-CB 3.43Å; Q402-E406 WeakPolarHBondContact O-CG 3.29Å; Q402-E406 PolarHBondContact O-N 2.9Å; E406-K408 VanDerWaalsContact C-N 3.3Å; E406-K408 PolarHBondContact O-N 2.91Å; E406-V409 PolarHBondContact O-N 3.06Å; E406-E410 PolarHBondContact O-N 3.09Å
407	N	85.5	Confident	77.3	Confident	92 Å²	92	81.9 Å²	81.9	49%	0.492	39%	0.393	S	S	.	.	H	α-helix	trans	-58.1	-39.4	175.3	-81.2	-70.4	0	0	0	112.5	E403 E410 E411	E403-N407 VanDerWaalsContact CG-ND2 3.31Å; E403-N407 WeakPolarHBondContact CG-ND2 3.4Å; E403-N407 VanDerWaalsContact O-CB 3.29Å; E403-N407 WeakPolarHBondContact O-CB 3.45Å; E403-N407 PolarHBondContact O-N 2.84Å; E403-N407 PolarHBondContact O-ND2 3.35Å; N407-E410 PolarHBondContact O-N 2.92Å; N407-E411 WeakPolarHBondContact O-CB 3.41Å; N407-E411 PolarHBondContact O-N 2.91Å
408	K	86.8	Confident	79.7	Confident	35 Å²	35	83.7 Å²	83.7	15%	0.152	39%	0.392	C	S	.	.	H	α-helix	trans	-72.7	-35.5	179.3	-170.1	70.8	-155.6	170.2	0	112	E359 L363 Y404 V405 E406 E411 L412	E359-K408 WeakPolarHBondContact OE1-CE 3.42Å; E359-K408 IonicContact OE1-NZ 3.66Å; L363-K408 HydrophobicContact CD1-CB 4.12Å; L363-K408 HydrophobicContact CD1-CG 3.44Å; L363-K408 VanDerWaalsContact CD1-CG 3.44Å; L363-K408 HydrophobicContact CD2-CG 4.49Å; Y404-K408 WeakPolarHBondContact O-CB 3.17Å; Y404-K408 PolarHBondContact O-N 3.19Å; V405-K408 PolarHBondContact O-N 3.27Å; E406-K408 VanDerWaalsContact C-N 3.3Å; E406-K408 PolarHBondContact O-N 2.91Å; K408-E411 WeakPolarHBondContact CD-OE2 3.5Å; K408-E411 WeakPolarHBondContact CE-OE2 3.47Å; K408-E411 IonicContact NZ-OE1 2.84Å; K408-E411 PolarHBondContact NZ-OE1 2.92Å; K408-E411 IonicContact NZ-OE2 3.6Å; K408-E411 PolarHBondContact NZ-OE2 3.37Å; K408-E411 PolarHBondContact O-N 3.33Å; K408-L412 HydrophobicContact CG-CD1 4.27Å; K408-L412 WeakPolarHBondContact O-CB 3.48Å; K408-L412 WeakPolarHBondContact O-CD1 3.19Å; K408-L412 VanDerWaalsContact O-CG 3.23Å; K408-L412 WeakPolarHBondContact O-CG 3.29Å; K408-L412 PolarHBondContact O-N 3.25Å
409	V	87.6	Confident	82.1	Confident	17 Å²	17	79.7 Å²	79.7	10%	0.103	37%	0.371	C	S	.	.	H	α-helix	trans	-66.2	-40.9	171.2	165.7	0	0	0	0	110.4	M360 L363 Q364 V405 E406 L412 Q413	M360-V409 HydrophobicContact CG-CG1 4.13Å; M360-V409 HydrophobicContact CG-CG2 4.21Å; M360-V409 HydrophobicContact SD-CG1 4.38Å; L363-V409 HydrophobicContact CB-CG2 4.3Å; Q364-V409 HydrophobicContact CG-CG2 4.34Å; V405-V409 HydrophobicContact CG1-CG2 4.3Å; V405-V409 VanDerWaalsContact O-CB 3.28Å; V405-V409 WeakPolarHBondContact O-CB 3.32Å; V405-V409 VanDerWaalsContact O-CG2 3.22Å; V405-V409 WeakPolarHBondContact O-CG2 3.48Å; V405-V409 PolarHBondContact O-N 2.67Å; E406-V409 PolarHBondContact O-N 3.06Å; V409-L412 PolarHBondContact O-N 2.94Å; V409-Q413 HydrophobicContact CG1-CG 4.38Å; V409-Q413 VanDerWaalsContact CG1-NE2 3.35Å; V409-Q413 WeakPolarHBondContact O-CB 3.47Å; V409-Q413 VanDerWaalsContact O-CG 3.28Å; V409-Q413 WeakPolarHBondContact O-CG 3.12Å; V409-Q413 PolarHBondContact O-N 3.49Å
410	E	87.9	Confident	84.4	Confident	134 Å²	134	80.7 Å²	80.7	63%	0.626	36%	0.364	S	S	*	.	H	α-helix	trans	-63.5	-44.2	172.8	-72.7	-163	177.1	0	0	112.5	E406 N407 L412 Q413 F414	E406-E410 PolarHBondContact O-N 3.09Å; N407-E410 PolarHBondContact O-N 2.92Å; E410-L412 VanDerWaalsContact C-N 3.29Å; E410-L412 PolarHBondContact O-N 2.93Å; E410-Q413 PolarHBondContact O-N 2.84Å; E410-F414 WeakPolarHBondContact O-CB 3.28Å; E410-F414 PolarHBondContact O-N 3.47Å
411	E	89.6	Confident	86.5	Confident	105 Å²	105	77.5 Å²	77.5	49%	0.491	35%	0.353	S	S	.	.	H	α-helix	trans	-56.8	-44.3	174.5	-168.5	-155.6	137.5	0	0	111.1	N407 K408 F414 A415	N407-E411 WeakPolarHBondContact O-CB 3.41Å; N407-E411 PolarHBondContact O-N 2.91Å; K408-E411 WeakPolarHBondContact CD-OE2 3.5Å; K408-E411 WeakPolarHBondContact CE-OE2 3.47Å; K408-E411 IonicContact NZ-OE1 2.84Å; K408-E411 PolarHBondContact NZ-OE1 2.92Å; K408-E411 IonicContact NZ-OE2 3.6Å; K408-E411 PolarHBondContact NZ-OE2 3.37Å; K408-E411 PolarHBondContact O-N 3.33Å; E411-F414 PolarHBondContact O-N 3.29Å; E411-A415 WeakPolarHBondContact O-CB 3.49Å; E411-A415 PolarHBondContact O-N 3.28Å
412	L	90.8	Very high	87.8	Confident	1 Å²	1	75.8 Å²	75.8	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-71.4	-39.5	178.8	-71.5	167.1	0	0	0	112.5	Y356 E359 M360 L363 K408 V409 E410 F414 A415 I416	Y356-L412 HydrophobicContact CD1-CD2 3.47Å; Y356-L412 VanDerWaalsContact CD1-CD2 3.47Å; Y356-L412 HydrophobicContact CE1-CD2 4.28Å; Y356-L412 HydrophobicContact CG-CD2 4.05Å; E359-L412 HydrophobicContact CB-CD1 3.98Å; E359-L412 HydrophobicContact CB-CD2 4.21Å; E359-L412 HydrophobicContact CG-CD1 3.76Å; E359-L412 HydrophobicContact CG-CD2 4.24Å; M360-L412 HydrophobicContact CB-CB 4.36Å; M360-L412 HydrophobicContact CB-CD1 4.23Å; L363-L412 HydrophobicContact CD1-CD1 3.45Å; L363-L412 VanDerWaalsContact CD1-CD1 3.45Å; K408-L412 HydrophobicContact CG-CD1 4.27Å; K408-L412 WeakPolarHBondContact O-CB 3.48Å; K408-L412 WeakPolarHBondContact O-CD1 3.19Å; K408-L412 VanDerWaalsContact O-CG 3.23Å; K408-L412 WeakPolarHBondContact O-CG 3.29Å; K408-L412 PolarHBondContact O-N 3.25Å; V409-L412 PolarHBondContact O-N 2.94Å; E410-L412 VanDerWaalsContact C-N 3.29Å; E410-L412 PolarHBondContact O-N 2.93Å; L412-F414 VanDerWaalsContact C-N 3.29Å; L412-F414 PolarHBondContact O-N 3.49Å; L412-A415 PolarHBondContact O-N 2.64Å; L412-I416 WeakPolarHBondContact O-CB 3.32Å; L412-I416 WeakPolarHBondContact O-CD1 3.12Å; L412-I416 WeakPolarHBondContact O-CG1 3.32Å; L412-I416 PolarHBondContact O-N 2.91Å
413	Q	91.7	Very high	88.9	Confident	107 Å²	107	72.6 Å²	72.6	50%	0.5	33%	0.328	S	S	.	.	H	α-helix	trans	-60.9	-40	171.5	-75.1	-178.1	30.1	0	0	111.2	M360 V409 E410 R417	M360-Q413 HydrophobicContact SD-CG 3.73Å; V409-Q413 HydrophobicContact CG1-CG 4.38Å; V409-Q413 VanDerWaalsContact CG1-NE2 3.35Å; V409-Q413 WeakPolarHBondContact O-CB 3.47Å; V409-Q413 VanDerWaalsContact O-CG 3.28Å; V409-Q413 WeakPolarHBondContact O-CG 3.12Å; V409-Q413 PolarHBondContact O-N 3.49Å; E410-Q413 PolarHBondContact O-N 2.84Å; Q413-R417 VanDerWaalsContact O-CB 3.23Å; Q413-R417 WeakPolarHBondContact O-CB 3.24Å; Q413-R417 PolarHBondContact O-N 2.7Å
414	F	91	Very high	89.6	Confident	112 Å²	112	71.3 Å²	71.3	49%	0.491	33%	0.328	S	S	.	.	H	α-helix	trans	-68.7	-38.4	174.9	-166.6	-96.6	0	0	0	112.1	E410 E411 L412 R417 R418	E410-F414 WeakPolarHBondContact O-CB 3.28Å; E410-F414 PolarHBondContact O-N 3.47Å; E411-F414 PolarHBondContact O-N 3.29Å; L412-F414 VanDerWaalsContact C-N 3.29Å; L412-F414 PolarHBondContact O-N 3.49Å; F414-R417 WeakPolarHBondContact O-CB 3.2Å; F414-R417 PolarHBondContact O-N 2.9Å; F414-R418 HydrophobicContact CD1-CG 4.25Å; F414-R418 HydrophobicContact CE1-CG 4.04Å; F414-R418 WeakPolarHBondContact O-CG 3.32Å; F414-R418 PolarHBondContact O-N 3.27Å
415	A	91.8	Very high	90.2	Very high	3 Å²	3	71.5 Å²	71.5	3%	0.025	33%	0.331	C	S	.	.	H	α-helix	trans	-62.6	-51.7	172.7	0	0	0	0	0	111.5	Y356 E411 L412 R417 R418 E419	Y356-A415 HydrophobicContact CD1-CB 4.4Å; Y356-A415 HydrophobicContact CD2-CB 3.79Å; Y356-A415 HydrophobicContact CE1-CB 4.32Å; Y356-A415 HydrophobicContact CE2-CB 3.7Å; Y356-A415 HydrophobicContact CG-CB 4.15Å; E411-A415 WeakPolarHBondContact O-CB 3.49Å; E411-A415 PolarHBondContact O-N 3.28Å; L412-A415 PolarHBondContact O-N 2.64Å; A415-R417 VanDerWaalsContact C-N 3.26Å; A415-R417 PolarHBondContact O-N 3.1Å; A415-R418 PolarHBondContact O-N 3.32Å; A415-R418 VanDerWaalsContact O-N 3.09Å; A415-E419 WeakPolarHBondContact O-CG 3.29Å; A415-E419 PolarHBondContact O-N 2.62Å
416	I	93	Very high	90.8	Very high	14 Å²	14	70.3 Å²	70.3	7%	0.072	32%	0.324	C	S	.	.	H	α-helix	trans	-53.8	-42.9	173.5	-69.4	162.1	0	0	0	110.7	Y356 E357 M360 L412 E419 K420	Y356-I416 VanDerWaalsContact CB-CG1 3.48Å; Y356-I416 HydrophobicContact CD2-CG1 4.49Å; Y356-I416 HydrophobicContact CG-CG1 4.44Å; E357-I416 HydrophobicContact CG-CD1 3.76Å; E357-I416 HydrophobicContact CG-CG1 4.2Å; M360-I416 HydrophobicContact SD-CD1 4.14Å; L412-I416 WeakPolarHBondContact O-CB 3.32Å; L412-I416 WeakPolarHBondContact O-CD1 3.12Å; L412-I416 WeakPolarHBondContact O-CG1 3.32Å; L412-I416 PolarHBondContact O-N 2.91Å; I416-E419 PolarHBondContact O-N 3.46Å; I416-K420 HydrophobicContact CG2-CD 3.73Å; I416-K420 HydrophobicContact CG2-CG 4.39Å; I416-K420 VanDerWaalsContact O-CB 3.29Å; I416-K420 WeakPolarHBondContact O-CB 3.36Å; I416-K420 VanDerWaalsContact O-CG 3.3Å; I416-K420 WeakPolarHBondContact O-CG 3.22Å; I416-K420 PolarHBondContact O-N 3.38Å
417	R	93	Very high	91.2	Very high	163 Å²	163	68.9 Å²	68.9	62%	0.615	32%	0.317	S	S	*	.	H	α-helix	trans	-61.7	-46.6	175.8	177.7	-176.2	173.5	92.1	-0.2	112.1	Q413 F414 A415 K420 I421	Q413-R417 VanDerWaalsContact O-CB 3.23Å; Q413-R417 WeakPolarHBondContact O-CB 3.24Å; Q413-R417 PolarHBondContact O-N 2.7Å; F414-R417 WeakPolarHBondContact O-CB 3.2Å; F414-R417 PolarHBondContact O-N 2.9Å; A415-R417 VanDerWaalsContact C-N 3.26Å; A415-R417 PolarHBondContact O-N 3.1Å; R417-K420 PolarHBondContact O-N 3.32Å; R417-I421 HydrophobicContact CG-CD1 3.9Å; R417-I421 WeakPolarHBondContact O-CB 3.33Å; R417-I421 WeakPolarHBondContact O-CD1 3.35Å; R417-I421 VanDerWaalsContact O-CG1 3.25Å; R417-I421 WeakPolarHBondContact O-CG1 3.33Å; R417-I421 PolarHBondContact O-N 3.49Å
418	R	91.6	Very high	91.4	Very high	135 Å²	135	67.3 Å²	67.3	51%	0.509	32%	0.316	S	S	.	.	H	α-helix	trans	-60.9	-48.1	176.6	-73.1	-173.3	-60.7	-157.5	-1.3	111.5	F414 A415 K420 I421 E422	F414-R418 HydrophobicContact CD1-CG 4.25Å; F414-R418 HydrophobicContact CE1-CG 4.04Å; F414-R418 WeakPolarHBondContact O-CG 3.32Å; F414-R418 PolarHBondContact O-N 3.27Å; A415-R418 PolarHBondContact O-N 3.32Å; A415-R418 VanDerWaalsContact O-N 3.09Å; R418-K420 PolarHBondContact O-N 3.08Å; R418-I421 PolarHBondContact O-N 3.32Å; R418-E422 PolarHBondContact O-N 3.28Å
419	E	93.4	Very high	91.5	Very high	18 Å²	18	68.5 Å²	68.5	8%	0.084	33%	0.329	C	S	.	.	H	α-helix	trans	-64.7	-40.9	-179.6	-61.6	-58.8	101.2	0	0	111.7	R349 C352 I353 Y356 A415 I416 E422 Q423	R349-E419 WeakPolarHBondContact CD-OE2 3.45Å; R349-E419 IonicContact CZ-OE1 3.21Å; R349-E419 IonicContact CZ-OE2 3.71Å; R349-E419 IonicContact NE-OE2 2.66Å; R349-E419 IonicContact NH1-OE1 3.98Å; R349-E419 PolarHBondContact NH1-OE1 3.13Å; R349-E419 IonicContact NH1-OE2 3.04Å; R349-E419 PolarHBondContact NH1-OE2 3.19Å; C352-E419 HydrophobicContact CB-CG 4.02Å; C352-E419 VanDerWaalsContact CB-OE2 3.24Å; C352-E419 WeakPolarHBondContact CB-OE2 3.35Å; I353-E419 HydrophobicContact CD1-CB 4.08Å; I353-E419 HydrophobicContact CG1-CB 3.48Å; I353-E419 VanDerWaalsContact CG1-CB 3.48Å; I353-E419 HydrophobicContact CG1-CG 4.48Å; Y356-E419 HydrophobicContact CD2-CG 4.22Å; Y356-E419 HydrophobicContact CE2-CG 3.85Å; A415-E419 WeakPolarHBondContact O-CG 3.29Å; A415-E419 PolarHBondContact O-N 2.62Å; I416-E419 PolarHBondContact O-N 3.46Å; E419-E422 PolarHBondContact O-N 3.15Å; E419-Q423 WeakPolarHBondContact O-CB 3.43Å; E419-Q423 PolarHBondContact O-N 3.42Å
420	K	93.2	Very high	91.6	Very high	83 Å²	83	67.9 Å²	67.9	36%	0.361	33%	0.325	S	S	.	.	H	α-helix	trans	-66.2	-35.3	174.9	-75.8	176.5	-178.7	168.7	0	112.7	I353 E357 I416 R417 R418 Q423 V424	I353-K420 HydrophobicContact CD1-CB 4.47Å; I353-K420 HydrophobicContact CD1-CG 3.58Å; I353-K420 HydrophobicContact CG1-CG 4.05Å; E357-K420 WeakPolarHBondContact OE1-CE 3.24Å; E357-K420 IonicContact OE1-NZ 2.7Å; E357-K420 PolarHBondContact OE1-NZ 3.07Å; I416-K420 HydrophobicContact CG2-CD 3.73Å; I416-K420 HydrophobicContact CG2-CG 4.39Å; I416-K420 VanDerWaalsContact O-CB 3.29Å; I416-K420 WeakPolarHBondContact O-CB 3.36Å; I416-K420 VanDerWaalsContact O-CG 3.3Å; I416-K420 WeakPolarHBondContact O-CG 3.22Å; I416-K420 PolarHBondContact O-N 3.38Å; R417-K420 PolarHBondContact O-N 3.32Å; R418-K420 PolarHBondContact O-N 3.08Å; K420-Q423 PolarHBondContact O-N 2.91Å; K420-V424 WeakPolarHBondContact O-CG2 3.38Å; K420-V424 PolarHBondContact O-N 2.99Å
421	I	92.7	Very high	91.5	Very high	80 Å²	80	64 Å²	64	41%	0.41	31%	0.312	S	S	.	.	H	α-helix	trans	-64.4	-43.5	172.8	-74.8	166.1	0	0	0	110.8	R417 R418 V424 K425	R417-I421 HydrophobicContact CG-CD1 3.9Å; R417-I421 WeakPolarHBondContact O-CB 3.33Å; R417-I421 WeakPolarHBondContact O-CD1 3.35Å; R417-I421 VanDerWaalsContact O-CG1 3.25Å; R417-I421 WeakPolarHBondContact O-CG1 3.33Å; R417-I421 PolarHBondContact O-N 3.49Å; R418-I421 PolarHBondContact O-N 3.32Å; I421-V424 PolarHBondContact O-N 3.12Å; I421-K425 WeakPolarHBondContact O-CG 3.37Å; I421-K425 PolarHBondContact O-N 3.18Å; I421-K425 VanDerWaalsContact O-N 3.1Å
422	E	92	Very high	91.4	Very high	31 Å²	31	63.7 Å²	63.7	15%	0.145	31%	0.313	C	S	.	.	H	α-helix	trans	-71.7	-34.9	177.5	-170.5	61.2	-167.5	0	0	112.2	R345 R349 R418 E419 K425 I426	R345-E422 IonicContact CZ-OE1 3.82Å; R345-E422 VanDerWaalsContact CZ-OE1 3.24Å; R345-E422 IonicContact NH1-OE1 2.75Å; R345-E422 PolarHBondContact NH1-OE1 3.14Å; R345-E422 IonicContact NH2-OE1 2.74Å; R345-E422 PolarHBondContact NH2-OE1 3.32Å; R349-E422 HydrophobicContact CG-CB 4.49Å; R349-E422 HydrophobicContact CG-CG 4.34Å; R418-E422 PolarHBondContact O-N 3.28Å; E419-E422 PolarHBondContact O-N 3.15Å; E422-K425 PolarHBondContact O-N 3.46Å; E422-K425 WeakPolarHBondContact OE2-CD 3.49Å; E422-K425 WeakPolarHBondContact OE2-CE 3.49Å; E422-K425 IonicContact OE2-NZ 3.55Å; E422-K425 PolarHBondContact OE2-NZ 3.47Å; E422-I426 HydrophobicContact CG-CD1 3.99Å; E422-I426 WeakPolarHBondContact O-CD1 3.43Å; E422-I426 VanDerWaalsContact O-CG1 3.23Å; E422-I426 WeakPolarHBondContact O-CG1 3.34Å; E422-I426 PolarHBondContact O-N 3.26Å
423	Q	93.3	Very high	91.1	Very high	38 Å²	38	64 Å²	64	18%	0.178	32%	0.315	C	S	.	.	H	α-helix	trans	-54.8	-54.2	168.6	177.6	-175.9	-3.1	0	0	110.7	L346 I353 E419 K420 K425 I426 E427	L346-Q423 HydrophobicContact CD1-CG 3.83Å; I353-Q423 HydrophobicContact CD1-CB 4.41Å; E419-Q423 WeakPolarHBondContact O-CB 3.43Å; E419-Q423 PolarHBondContact O-N 3.42Å; K420-Q423 PolarHBondContact O-N 2.91Å; Q423-K425 VanDerWaalsContact C-N 3.32Å; Q423-K425 PolarHBondContact O-N 3.3Å; Q423-I426 PolarHBondContact O-N 3.36Å; Q423-E427 HydrophobicContact CG-CG 4.28Å; Q423-E427 WeakPolarHBondContact CG-OE1 3.46Å; Q423-E427 PolarHBondContact NE2-OE1 2.89Å; Q423-E427 WeakPolarHBondContact O-CG 3.49Å; Q423-E427 PolarHBondContact O-N 3.04Å
424	V	92.6	Very high	90.7	Very high	92 Å²	92	64.3 Å²	64.3	56%	0.558	31%	0.312	S	S	*	.	H	α-helix	trans	-61.2	-38.1	-178.9	169.3	0	0	0	0	112	K420 I421 A428	K420-V424 WeakPolarHBondContact O-CG2 3.38Å; K420-V424 PolarHBondContact O-N 2.99Å; I421-V424 PolarHBondContact O-N 3.12Å; V424-A428 WeakPolarHBondContact O-CB 3.33Å; V424-A428 PolarHBondContact O-N 3.39Å
425	K	93.3	Very high	90.1	Very high	111 Å²	111	65.6 Å²	65.6	48%	0.483	32%	0.323	S	S	.	.	H	α-helix	trans	-61.1	-46.7	171.8	-71.5	-177	-131.7	154	0	111.9	I421 E422 Q423 A428 C429	I421-K425 WeakPolarHBondContact O-CG 3.37Å; I421-K425 PolarHBondContact O-N 3.18Å; I421-K425 VanDerWaalsContact O-N 3.1Å; E422-K425 PolarHBondContact O-N 3.46Å; E422-K425 WeakPolarHBondContact OE2-CD 3.49Å; E422-K425 WeakPolarHBondContact OE2-CE 3.49Å; E422-K425 IonicContact OE2-NZ 3.55Å; E422-K425 PolarHBondContact OE2-NZ 3.47Å; Q423-K425 VanDerWaalsContact C-N 3.32Å; Q423-K425 PolarHBondContact O-N 3.3Å; K425-A428 PolarHBondContact O-N 2.96Å; K425-C429 PolarHBondContact O-N 3.48Å; K425-C429 PolarHBondContact O-SG 3.48Å; K425-C429 VanDerWaalsContact O-SG 3.34Å
426	I	92.4	Very high	89.1	Confident	2 Å²	2	66.5 Å²	66.5	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-64.7	-43.9	179.8	-67.9	162.4	0	0	0	110.5	L342 R345 L346 R349 E422 Q423 A428 C429 L430	L342-I426 HydrophobicContact CB-CG2 4.19Å; L342-I426 HydrophobicContact CD2-CG1 4.37Å; L342-I426 HydrophobicContact CD2-CG2 4.29Å; L342-I426 WeakPolarHBondContact O-CG2 3.13Å; R345-I426 HydrophobicContact CB-CD1 3.72Å; L346-I426 HydrophobicContact CB-CG2 3.87Å; L346-I426 HydrophobicContact CD1-CB 4.5Å; L346-I426 HydrophobicContact CD1-CG2 4.13Å; R349-I426 HydrophobicContact CG-CD1 4.11Å; E422-I426 HydrophobicContact CG-CD1 3.99Å; E422-I426 WeakPolarHBondContact O-CD1 3.43Å; E422-I426 VanDerWaalsContact O-CG1 3.23Å; E422-I426 WeakPolarHBondContact O-CG1 3.34Å; E422-I426 PolarHBondContact O-N 3.26Å; Q423-I426 PolarHBondContact O-N 3.36Å; I426-A428 VanDerWaalsContact C-N 3.32Å; I426-A428 PolarHBondContact O-N 3.42Å; I426-C429 PolarHBondContact O-N 3.36Å; I426-L430 HydrophobicContact CG2-CD1 3.87Å; I426-L430 HydrophobicContact CG2-CG 4.24Å; I426-L430 WeakPolarHBondContact O-CB 3.48Å; I426-L430 VanDerWaalsContact O-CG 3.29Å; I426-L430 WeakPolarHBondContact O-CG 3.17Å; I426-L430 PolarHBondContact O-N 3.07Å
427	E	91.9	Very high	88	Confident	74 Å²	74	71 Å²	71	35%	0.346	36%	0.363	S	S	.	.	H	α-helix	trans	-62.8	-35.5	176.5	-72.6	177.4	178.9	0	0	112.6	L346 Q423 S431	L346-E427 HydrophobicContact CD1-CG 3.73Å; Q423-E427 HydrophobicContact CG-CG 4.28Å; Q423-E427 WeakPolarHBondContact CG-OE1 3.46Å; Q423-E427 PolarHBondContact NE2-OE1 2.89Å; Q423-E427 WeakPolarHBondContact O-CG 3.49Å; Q423-E427 PolarHBondContact O-N 3.04Å; E427-S431 VanDerWaalsContact O-CB 3.24Å; E427-S431 WeakPolarHBondContact O-CB 3.11Å; E427-S431 PolarHBondContact O-N 3.21Å; E427-S431 PolarHBondContact O-OG 3.34Å
428	A	89.8	Confident	87.2	Confident	58 Å²	58	64.3 Å²	64.3	48%	0.479	34%	0.339	S	S	.	.	H	α-helix	trans	-66.4	-46.1	172	0	0	0	0	0	111.9	V424 K425 I426 L430 S431 L432	V424-A428 WeakPolarHBondContact O-CB 3.33Å; V424-A428 PolarHBondContact O-N 3.39Å; K425-A428 PolarHBondContact O-N 2.96Å; I426-A428 VanDerWaalsContact C-N 3.32Å; I426-A428 PolarHBondContact O-N 3.42Å; A428-L430 PolarHBondContact O-N 3.13Å; A428-S431 PolarHBondContact O-N 2.98Å; A428-L432 PolarHBondContact O-N 3.14Å
429	C	89.2	Confident	86.7	Confident	61 Å²	61	62.1 Å²	62.1	41%	0.412	34%	0.337	S	S	.	.	H	α-helix	trans	-62.6	-39.8	175.7	-69	0	0	0	0	112.6	L342 K425 I426 L432 L433	L342-C429 HydrophobicContact CD1-CB 3.81Å; K425-C429 PolarHBondContact O-N 3.48Å; K425-C429 PolarHBondContact O-SG 3.48Å; K425-C429 VanDerWaalsContact O-SG 3.34Å; I426-C429 PolarHBondContact O-N 3.36Å; C429-L432 WeakPolarHBondContact O-CB 3.48Å; C429-L432 PolarHBondContact O-N 3.05Å; C429-L433 PolarHBondContact O-N 3.39Å; C429-L433 VanDerWaalsContact O-N 3.11Å
430	L	89.2	Confident	86.3	Confident	4 Å²	4	61.3 Å²	61.3	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-67	-41.5	173.1	-70	175.3	0	0	0	111.1	L342 L346 I426 A428 L432 L433 R434 I440 I444	L342-L430 HydrophobicContact CB-CD2 3.52Å; L342-L430 HydrophobicContact CB-CG 4.03Å; L342-L430 HydrophobicContact CD1-CD2 4.1Å; L342-L430 HydrophobicContact CD1-CG 4.48Å; L342-L430 HydrophobicContact CG-CD2 4.49Å; L346-L430 HydrophobicContact CD2-CD1 3.93Å; I426-L430 HydrophobicContact CG2-CD1 3.87Å; I426-L430 HydrophobicContact CG2-CG 4.24Å; I426-L430 WeakPolarHBondContact O-CB 3.48Å; I426-L430 VanDerWaalsContact O-CG 3.29Å; I426-L430 WeakPolarHBondContact O-CG 3.17Å; I426-L430 PolarHBondContact O-N 3.07Å; A428-L430 PolarHBondContact O-N 3.13Å; L430-L432 PolarHBondContact O-N 3.48Å; L430-L433 CarbonylContact O-C 3.54Å; L430-L433 PolarHBondContact O-N 3.2Å; L430-L433 VanDerWaalsContact O-N 3.09Å; L430-R434 PolarHBondContact O-N 2.85Å; L430-I440 HydrophobicContact CB-CD1 4Å; L430-I440 HydrophobicContact CB-CG2 4.23Å; L430-I440 HydrophobicContact CD1-CG2 4.26Å; L430-I440 HydrophobicContact CD2-CD1 3.88Å; L430-I440 HydrophobicContact CD2-CG2 3.78Å; L430-I440 HydrophobicContact CG-CG2 4.31Å; L430-I440 WeakPolarHBondContact O-CD1 3.48Å; L430-I444 HydrophobicContact CD1-CD1 4.38Å
431	S	87.1	Confident	85.9	Confident	52 Å²	52	61.6 Å²	61.6	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-64.5	-29.8	176.1	-60.3	0	0	0	0	112.7	E427 A428 N435	E427-S431 VanDerWaalsContact O-CB 3.24Å; E427-S431 WeakPolarHBondContact O-CB 3.11Å; E427-S431 PolarHBondContact O-N 3.21Å; E427-S431 PolarHBondContact O-OG 3.34Å; A428-S431 PolarHBondContact O-N 2.98Å; S431-N435 PolarHBondContact O-ND2 3.27Å
432	L	86.2	Confident	85.7	Confident	98 Å²	98	64 Å²	64	51%	0.513	35%	0.348	S	S	.	.	H	α-helix	trans	-67.8	-42	170.1	-174.9	63.8	0	0	0	112	L326 A428 C429 L430 N435	L326-L432 HydrophobicContact CD1-CD2 3.8Å; L326-L432 HydrophobicContact CD1-CG 3.81Å; A428-L432 PolarHBondContact O-N 3.14Å; C429-L432 WeakPolarHBondContact O-CB 3.48Å; C429-L432 PolarHBondContact O-N 3.05Å; L430-L432 PolarHBondContact O-N 3.48Å; L432-N435 WeakPolarHBondContact O-CB 3.39Å; L432-N435 PolarHBondContact O-N 2.9Å
433	L	85.5	Confident	85.5	Confident	7 Å²	7	63.2 Å²	63.2	4%	0.037	34%	0.344	C	S	.	.	H	α-helix	trans	-70.6	-26.9	176.5	-73.8	166.7	0	0	0	113.8	L326 L335 I338 A339 L342 C429 L430 N435 S436 I438 I440	L326-L433 HydrophobicContact CD1-CD2 4.07Å; L326-L433 HydrophobicContact CD2-CD2 4.3Å; L335-L433 HydrophobicContact CB-CD2 4.32Å; L335-L433 HydrophobicContact CD2-CD2 4.33Å; I338-L433 HydrophobicContact CG2-CD1 4.13Å; A339-L433 HydrophobicContact CB-CD1 4.37Å; L342-L433 HydrophobicContact CD1-CD1 3.91Å; C429-L433 PolarHBondContact O-N 3.39Å; C429-L433 VanDerWaalsContact O-N 3.11Å; L430-L433 CarbonylContact O-C 3.54Å; L430-L433 PolarHBondContact O-N 3.2Å; L430-L433 VanDerWaalsContact O-N 3.09Å; L433-N435 PolarHBondContact O-N 3.27Å; L433-S436 PolarHBondContact O-N 3.05Å; L433-S436 PolarHBondContact O-OG 3.31Å; L433-I438 HydrophobicContact CD2-CD1 4.14Å; L433-I440 HydrophobicContact CB-CD1 3.52Å
434	R	83	Confident	85.3	Confident	115 Å²	115	62.4 Å²	62.4	43%	0.434	34%	0.341	S	S	.	.	H	α-helix	trans	-59.3	-28.2	170.3	-78.1	-179.2	170.9	137.2	-7.3	112.1	L430 S436 I440 N441	L430-R434 PolarHBondContact O-N 2.85Å; R434-S436 VanDerWaalsContact C-N 3.27Å; R434-S436 PolarHBondContact O-N 3.04Å; R434-I440 HydrophobicContact CG-CB 4.32Å; R434-I440 HydrophobicContact CG-CD1 3.87Å; R434-I440 HydrophobicContact CG-CG1 4.25Å; R434-N441 PolarHBondContact NH2-OD1 3.35Å
435	N	77.9	Confident	85.1	Confident	138 Å²	138	60.9 Å²	60.9	74%	0.738	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-9.9	177.8	-58.4	-41.3	0	0	0	113.4	S431 L432 L433	S431-N435 PolarHBondContact O-ND2 3.27Å; L432-N435 WeakPolarHBondContact O-CB 3.39Å; L432-N435 PolarHBondContact O-N 2.9Å; L433-N435 PolarHBondContact O-N 3.27Å
436	S	70.7	Confident	84.9	Confident	22 Å²	22	58.7 Å²	58.7	15%	0.154	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	41.1	176.2	61.6	0	0	0	0	112.3	L433 R434 I438	L433-S436 PolarHBondContact O-N 3.05Å; L433-S436 PolarHBondContact O-OG 3.31Å; R434-S436 VanDerWaalsContact C-N 3.27Å; R434-S436 PolarHBondContact O-N 3.04Å; S436-I438 VanDerWaalsContact C-N 3.27Å; S436-I438 WeakPolarHBondContact O-CG1 3.49Å; S436-I438 PolarHBondContact O-N 3.48Å; S436-I438 VanDerWaalsContact O-N 3.1Å
437	S	70.9	Confident	84.8	Confident	110 Å²	110	58.8 Å²	58.8	77%	0.769	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	20.4	171	51.6	0	0	0	0	118
438	I	76.2	Confident	84.8	Confident	22 Å²	22	61.1 Å²	61.1	11%	0.113	33%	0.333	C	S	.	.			trans	-94.2	128.3	177.2	-63.7	158.1	0	0	0	110.1	L335 A339 L433 S436 I440 F443	L335-I438 HydrophobicContact CB-CD1 3.5Å; L335-I438 VanDerWaalsContact CB-CD1 3.5Å; L335-I438 HydrophobicContact CD1-CD1 4.3Å; A339-I438 HydrophobicContact CB-CG2 4.22Å; L433-I438 HydrophobicContact CD2-CD1 4.14Å; S436-I438 VanDerWaalsContact C-N 3.27Å; S436-I438 WeakPolarHBondContact O-CG1 3.49Å; S436-I438 PolarHBondContact O-N 3.48Å; S436-I438 VanDerWaalsContact O-N 3.1Å; I438-I440 HydrophobicContact CG2-CG1 4.04Å; I438-I440 PolarHBondContact O-N 2.93Å; I438-I440 VanDerWaalsContact O-N 3.07Å; I438-F443 HydrophobicContact CG2-CD2 4.2Å; I438-F443 HydrophobicContact CG2-CE2 3.66Å
439	D	80.7	Confident	84.7	Confident	89 Å²	89	63.3 Å²	63.3	48%	0.476	34%	0.336	S	S	.	.			trans	-78.8	92.9	170.7	-167	-2.7	0	0	0	111.5	N441	D439-N441 PolarHBondContact O-N 3.34Å; D439-N441 VanDerWaalsContact OD1-CB 3.29Å; D439-N441 WeakPolarHBondContact OD1-CB 3.25Å; D439-N441 PolarHBondContact OD1-N 3.11Å; D439-N441 PolarHBondContact OD1-ND2 3.16Å
440	I	83.9	Confident	84.6	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-70.6	-21.3	178	-64.2	-173.8	0	0	0	112.3	A339 L430 L433 R434 I438 E442 F443 I444	A339-I440 HydrophobicContact CB-CG1 4.46Å; L430-I440 HydrophobicContact CB-CD1 4Å; L430-I440 HydrophobicContact CB-CG2 4.23Å; L430-I440 HydrophobicContact CD1-CG2 4.26Å; L430-I440 HydrophobicContact CD2-CD1 3.88Å; L430-I440 HydrophobicContact CD2-CG2 3.78Å; L430-I440 HydrophobicContact CG-CG2 4.31Å; L430-I440 WeakPolarHBondContact O-CD1 3.48Å; L433-I440 HydrophobicContact CB-CD1 3.52Å; R434-I440 HydrophobicContact CG-CB 4.32Å; R434-I440 HydrophobicContact CG-CD1 3.87Å; R434-I440 HydrophobicContact CG-CG1 4.25Å; I438-I440 HydrophobicContact CG2-CG1 4.04Å; I438-I440 PolarHBondContact O-N 2.93Å; I438-I440 VanDerWaalsContact O-N 3.07Å; I440-E442 VanDerWaalsContact C-N 3.31Å; I440-E442 PolarHBondContact O-N 3.2Å; I440-F443 PolarHBondContact O-N 3.33Å; I440-I444 HydrophobicContact CG2-CD1 3.77Å; I440-I444 HydrophobicContact CG2-CG1 3.98Å; I440-I444 WeakPolarHBondContact O-CG1 3.38Å; I440-I444 PolarHBondContact O-N 3.2Å
441	N	86.4	Confident	84.5	Confident	89 Å²	89	63.6 Å²	63.6	48%	0.476	34%	0.343	S	S	.	.	H	α-helix	trans	-70	-34.1	-176	-46.3	-65.7	0	0	0	110.7	R434 D439 I444 S445	R434-N441 PolarHBondContact NH2-OD1 3.35Å; D439-N441 PolarHBondContact O-N 3.34Å; D439-N441 VanDerWaalsContact OD1-CB 3.29Å; D439-N441 WeakPolarHBondContact OD1-CB 3.25Å; D439-N441 PolarHBondContact OD1-N 3.11Å; D439-N441 PolarHBondContact OD1-ND2 3.16Å; N441-I444 PolarHBondContact O-N 3.05Å; N441-S445 WeakPolarHBondContact O-CB 3.33Å; N441-S445 PolarHBondContact O-N 3.43Å
442	E	87.4	Confident	84.4	Confident	130 Å²	130	67.4 Å²	67.4	61%	0.607	36%	0.355	S	S	*	.	H	α-helix	trans	-58.6	-51.2	168.3	-174.3	175.6	-167.8	0	0	111	I440 I444 S445 E446	I440-E442 VanDerWaalsContact C-N 3.31Å; I440-E442 PolarHBondContact O-N 3.2Å; E442-I444 PolarHBondContact O-N 3.34Å; E442-S445 CarbonylContact O-C 3.59Å; E442-S445 WeakPolarHBondContact O-CA 3.33Å; E442-S445 WeakPolarHBondContact O-CB 3.49Å; E442-S445 PolarHBondContact O-N 3.43Å; E442-E446 PolarHBondContact O-N 2.86Å
443	F	88.3	Confident	84.3	Confident	14 Å²	14	65.4 Å²	65.4	6%	0.061	35%	0.353	C	S	.	.	H	α-helix	trans	-67.7	-29.7	-179.3	-57.8	-42.2	0	0	0	114.2	E336 A339 R340 S343 I438 I440 A447	E336-F443 HydrophobicContact CB-CE2 4.12Å; E336-F443 HydrophobicContact CB-CZ 4.04Å; E336-F443 HydrophobicContact CG-CE2 4.23Å; E336-F443 HydrophobicContact CG-CZ 4.07Å; A339-F443 HydrophobicContact CB-CD2 3.73Å; A339-F443 HydrophobicContact CB-CE2 4.14Å; R340-F443 HydrophobicContact CG-CB 4.29Å; R340-F443 HydrophobicContact CG-CD1 3.47Å; R340-F443 VanDerWaalsContact CG-CD1 3.47Å; R340-F443 HydrophobicContact CG-CD2 4.36Å; R340-F443 HydrophobicContact CG-CE1 3.86Å; R340-F443 HydrophobicContact CG-CG 3.78Å; R340-F443 HydrophobicContact CG-CZ 4.43Å; R340-F443 VanDerWaalsContact NE-CE1 3.33Å; S343-F443 VanDerWaalsContact CB-O 3.31Å; S343-F443 WeakPolarHBondContact CB-O 3.31Å; I438-F443 HydrophobicContact CG2-CD2 4.2Å; I438-F443 HydrophobicContact CG2-CE2 3.66Å; I440-F443 PolarHBondContact O-N 3.33Å; F443-A447 VanDerWaalsContact O-CB 3.28Å; F443-A447 WeakPolarHBondContact O-CB 3.42Å; F443-A447 PolarHBondContact O-N 3.15Å
444	I	88.8	Confident	84.1	Confident	21 Å²	21	67.6 Å²	67.6	11%	0.108	37%	0.372	C	S	.	.	H	α-helix	trans	-68.7	-39.9	169.9	-67.7	173.2	0	0	0	110.1	S343 L346 L430 I440 N441 E442 A447 R448	S343-I444 WeakPolarHBondContact OG-CG1 3.29Å; L346-I444 HydrophobicContact CD2-CD1 3.93Å; L346-I444 HydrophobicContact CD2-CG1 4.21Å; L430-I444 HydrophobicContact CD1-CD1 4.38Å; I440-I444 HydrophobicContact CG2-CD1 3.77Å; I440-I444 HydrophobicContact CG2-CG1 3.98Å; I440-I444 WeakPolarHBondContact O-CG1 3.38Å; I440-I444 PolarHBondContact O-N 3.2Å; N441-I444 PolarHBondContact O-N 3.05Å; E442-I444 PolarHBondContact O-N 3.34Å; I444-A447 PolarHBondContact O-N 3.42Å; I444-R448 WeakPolarHBondContact O-CG 3.39Å; I444-R448 PolarHBondContact O-N 2.92Å
445	S	88.7	Confident	84	Confident	61 Å²	61	63.9 Å²	63.9	43%	0.427	37%	0.366	S	S	.	.	H	α-helix	trans	-65.4	-46	175.5	-163.3	0	0	0	0	111.8	N441 E442 A447 R448 I449	N441-S445 WeakPolarHBondContact O-CB 3.33Å; N441-S445 PolarHBondContact O-N 3.43Å; E442-S445 CarbonylContact O-C 3.59Å; E442-S445 WeakPolarHBondContact O-CA 3.33Å; E442-S445 WeakPolarHBondContact O-CB 3.49Å; E442-S445 PolarHBondContact O-N 3.43Å; S445-A447 VanDerWaalsContact C-N 3.33Å; S445-A447 PolarHBondContact O-N 3.5Å; S445-R448 PolarHBondContact O-N 3.39Å; S445-I449 WeakPolarHBondContact O-CB 3.44Å; S445-I449 VanDerWaalsContact O-CG1 3.28Å; S445-I449 WeakPolarHBondContact O-CG1 3.49Å; S445-I449 PolarHBondContact O-N 3.5Å
446	E	89.4	Confident	84	Confident	65 Å²	65	60.7 Å²	60.7	30%	0.304	35%	0.351	S	S	.	.	H	α-helix	trans	-52.7	-50.8	172.3	-172.5	-149.5	127.7	0	0	110.6	R340 R344 E442 R448 I449 A450	R340-E446 IonicContact NE-OE2 2.73Å; R344-E446 IonicContact CZ-OE1 3.88Å; R344-E446 IonicContact NE-OE1 2.74Å; R344-E446 IonicContact NH2-OE1 3.15Å; R344-E446 PolarHBondContact NH2-OE1 2.93Å; E442-E446 PolarHBondContact O-N 2.86Å; E446-R448 PolarHBondContact O-N 3.45Å; E446-I449 PolarHBondContact O-N 2.91Å; E446-A450 VanDerWaalsContact O-CB 3.28Å; E446-A450 WeakPolarHBondContact O-CB 3.45Å; E446-A450 PolarHBondContact O-N 3.48Å
447	A	89.4	Confident	84.2	Confident	4 Å²	4	63.5 Å²	63.5	3%	0.033	37%	0.367	C	S	.	.	H	α-helix	trans	-63.5	-39.1	-179.6	0	0	0	0	0	113.1	R344 V347 F443 I444 S445 A451	R344-A447 HydrophobicContact CG-CB 3.99Å; V347-A447 HydrophobicContact CB-CB 4.3Å; V347-A447 HydrophobicContact CG2-CB 3.73Å; F443-A447 VanDerWaalsContact O-CB 3.28Å; F443-A447 WeakPolarHBondContact O-CB 3.42Å; F443-A447 PolarHBondContact O-N 3.15Å; I444-A447 PolarHBondContact O-N 3.42Å; S445-A447 VanDerWaalsContact C-N 3.33Å; S445-A447 PolarHBondContact O-N 3.5Å; A447-A451 VanDerWaalsContact O-CB 3.3Å; A447-A451 WeakPolarHBondContact O-CB 3.21Å; A447-A451 PolarHBondContact O-N 2.93Å
448	R	91.5	Very high	84.2	Confident	122 Å²	122	62.7 Å²	62.7	46%	0.46	36%	0.357	S	S	.	.	H	α-helix	trans	-68	-46.4	176.9	-74.8	-177.5	177.2	156.5	-0.7	111.7	V347 E350 I444 S445 E446 A450 A451 E452	V347-R448 HydrophobicContact CB-CG 4.48Å; V347-R448 HydrophobicContact CG1-CG 4.12Å; V347-R448 HydrophobicContact CG2-CB 4.46Å; V347-R448 HydrophobicContact CG2-CG 3.47Å; V347-R448 VanDerWaalsContact CG2-CG 3.47Å; E350-R448 VanDerWaalsContact CD-NH2 3.35Å; E350-R448 IonicContact OE1-CZ 3.62Å; E350-R448 IonicContact OE1-NE 2.77Å; E350-R448 IonicContact OE1-NH2 2.82Å; E350-R448 PolarHBondContact OE1-NH2 3.41Å; E350-R448 IonicContact OE2-CZ 2.66Å; E350-R448 IonicContact OE2-NE 3.24Å; E350-R448 PolarHBondContact OE2-NE 3.01Å; E350-R448 IonicContact OE2-NH2 3.66Å; E350-R448 PolarHBondContact OE2-NH2 3.23Å; I444-R448 WeakPolarHBondContact O-CG 3.39Å; I444-R448 PolarHBondContact O-N 2.92Å; S445-R448 PolarHBondContact O-N 3.39Å; E446-R448 PolarHBondContact O-N 3.45Å; R448-A450 PolarHBondContact O-N 3.42Å; R448-A451 PolarHBondContact O-N 2.89Å; R448-E452 WeakPolarHBondContact O-CB 3.23Å; R448-E452 PolarHBondContact O-N 3.33Å
449	I	88.9	Confident	83.5	Confident	105 Å²	105	67.8 Å²	67.8	54%	0.538	38%	0.38	S	S	.	.	H	α-helix	trans	-60.8	-44.8	176.6	-66.2	164.7	0	0	0	110.6	S445 E446 A451 E452 A453	S445-I449 WeakPolarHBondContact O-CB 3.44Å; S445-I449 VanDerWaalsContact O-CG1 3.28Å; S445-I449 WeakPolarHBondContact O-CG1 3.49Å; S445-I449 PolarHBondContact O-N 3.5Å; E446-I449 PolarHBondContact O-N 2.91Å; I449-A451 PolarHBondContact O-N 3.43Å; I449-E452 PolarHBondContact O-N 3.03Å; I449-A453 WeakPolarHBondContact O-CB 3.32Å; I449-A453 PolarHBondContact O-N 3.07Å
450	A	87.3	Confident	82.6	Confident	52 Å²	52	68.3 Å²	68.3	43%	0.43	38%	0.383	S	S	.	.	H	α-helix	trans	-62.8	-40.7	177.2	0	0	0	0	0	112.4	E446 R448 A454	E446-A450 VanDerWaalsContact O-CB 3.28Å; E446-A450 WeakPolarHBondContact O-CB 3.45Å; E446-A450 PolarHBondContact O-N 3.48Å; R448-A450 PolarHBondContact O-N 3.42Å; A450-A454 WeakPolarHBondContact O-CB 3.2Å; A450-A454 PolarHBondContact O-N 2.64Å
451	A	86.4	Confident	81.3	Confident	19 Å²	19	72.5 Å²	72.5	16%	0.157	41%	0.405	C	S	.	.	H	α-helix	trans	-69.4	-33.6	177.1	0	0	0	0	0	112.8	V347 R351 A447 R448 I449 A455	V347-A451 HydrophobicContact CG1-CB 3.55Å; R351-A451 VanDerWaalsContact CZ-O 3.29Å; R351-A451 PolarHBondContact NH1-O 3Å; R351-A451 VanDerWaalsContact NH2-C 3.27Å; R351-A451 PolarHBondContact NH2-O 3.43Å; A447-A451 VanDerWaalsContact O-CB 3.3Å; A447-A451 WeakPolarHBondContact O-CB 3.21Å; A447-A451 PolarHBondContact O-N 2.93Å; R448-A451 PolarHBondContact O-N 2.89Å; I449-A451 PolarHBondContact O-N 3.43Å; A451-A455 PolarHBondContact O-N 3Å
452	E	85.8	Confident	79.7	Confident	132 Å²	132	73 Å²	73	62%	0.617	41%	0.408	S	S	*	.	H	α-helix	trans	-69.3	-49.6	174.6	-175.2	167.4	-160.2	0	0	111.3	R448 I449 A454 A455 V456	R448-E452 WeakPolarHBondContact O-CB 3.23Å; R448-E452 PolarHBondContact O-N 3.33Å; I449-E452 PolarHBondContact O-N 3.03Å; E452-A454 VanDerWaalsContact C-N 3.28Å; E452-A454 PolarHBondContact O-N 2.66Å; E452-A455 WeakPolarHBondContact O-CB 3.45Å; E452-A455 PolarHBondContact O-N 2.81Å; E452-V456 PolarHBondContact O-N 3.3Å; E452-V456 VanDerWaalsContact O-N 3.1Å
453	A	83.5	Confident	77.9	Confident	56 Å²	56	72.3 Å²	72.3	46%	0.463	41%	0.408	S	S	.	.	H	α-helix	trans	-55.9	-42	174	0	0	0	0	0	112.2	I449 A455 V456 V457	I449-A453 WeakPolarHBondContact O-CB 3.32Å; I449-A453 PolarHBondContact O-N 3.07Å; A453-A455 VanDerWaalsContact C-N 3.3Å; A453-A455 PolarHBondContact O-N 2.89Å; A453-V456 PolarHBondContact O-N 2.95Å; A453-V457 WeakPolarHBondContact O-CG2 3.34Å; A453-V457 PolarHBondContact O-N 3.37Å; A453-V457 VanDerWaalsContact O-N 3.07Å
454	A	82.1	Confident	76	Confident	53 Å²	53	78 Å²	78	44%	0.438	44%	0.439	S	S	.	.	H	α-helix	trans	-63.1	-32.3	175	0	0	0	0	0	113.3	A450 E452 V458	A450-A454 WeakPolarHBondContact O-CB 3.2Å; A450-A454 PolarHBondContact O-N 2.64Å; E452-A454 VanDerWaalsContact C-N 3.28Å; E452-A454 PolarHBondContact O-N 2.66Å; A454-V458 WeakPolarHBondContact O-CG2 3.45Å; A454-V458 PolarHBondContact O-N 3.49Å
455	A	79	Confident	74.1	Confident	37 Å²	37	86.4 Å²	86.4	31%	0.306	47%	0.47	S	S	.	.	H	α-helix	trans	-71.8	-41.8	176.6	0	0	0	0	0	111.9	A451 E452 A453 V457 V458 Q459	A451-A455 PolarHBondContact O-N 3Å; E452-A455 WeakPolarHBondContact O-CB 3.45Å; E452-A455 PolarHBondContact O-N 2.81Å; A453-A455 VanDerWaalsContact C-N 3.3Å; A453-A455 PolarHBondContact O-N 2.89Å; A455-V457 VanDerWaalsContact C-N 3.34Å; A455-V457 PolarHBondContact O-N 3.02Å; A455-V458 PolarHBondContact O-N 2.99Å; A455-Q459 PolarHBondContact O-N 2.97Å; A455-Q459 VanDerWaalsContact O-N 3.15Å
456	V	77.9	Confident	71.8	Confident	70 Å²	70	90.6 Å²	90.6	42%	0.424	49%	0.487	S	S	.	.	H	α-helix	trans	-61.4	-42.2	175.4	176.8	0	0	0	0	111.1	E452 A453 V458 Q459 L460	E452-V456 PolarHBondContact O-N 3.3Å; E452-V456 VanDerWaalsContact O-N 3.1Å; A453-V456 PolarHBondContact O-N 2.95Å; V456-V458 VanDerWaalsContact C-N 3.3Å; V456-V458 PolarHBondContact O-N 3.37Å; V456-Q459 PolarHBondContact O-N 3.5Å; V456-Q459 VanDerWaalsContact O-N 3.17Å; V456-L460 HydrophobicContact CG1-CD1 4.09Å; V456-L460 HydrophobicContact CG1-CG 4.48Å; V456-L460 WeakPolarHBondContact O-CG 3.47Å; V456-L460 PolarHBondContact O-N 3.35Å; V456-L460 VanDerWaalsContact O-N 3.08Å
457	V	75.4	Confident	69.1	Low	82 Å²	82	91.6 Å²	91.6	50%	0.497	50%	0.501	S	S	.	.	H	α-helix	trans	-62	-35.6	176.7	171	0	0	0	0	112.1	A453 A455 N461	A453-V457 WeakPolarHBondContact O-CG2 3.34Å; A453-V457 PolarHBondContact O-N 3.37Å; A453-V457 VanDerWaalsContact O-N 3.07Å; A455-V457 VanDerWaalsContact C-N 3.34Å; A455-V457 PolarHBondContact O-N 3.02Å; V457-N461 WeakPolarHBondContact O-CB 3.26Å; V457-N461 PolarHBondContact O-N 3.47Å; V457-N461 PolarHBondContact O-ND2 2.87Å
458	V	70.6	Confident	66.6	Low	92 Å²	92	99.2 Å²	99.2	56%	0.558	54%	0.542	S	S	*	.	H	α-helix	trans	-70.2	-33.7	175.8	170.9	0	0	0	0	112.2	A454 A455 V456 N462	A454-V458 WeakPolarHBondContact O-CG2 3.45Å; A454-V458 PolarHBondContact O-N 3.49Å; A455-V458 PolarHBondContact O-N 2.99Å; V456-V458 VanDerWaalsContact C-N 3.3Å; V456-V458 PolarHBondContact O-N 3.37Å; V458-N462 PolarHBondContact O-ND2 2.9Å
459	Q	61.7	Low	63.9	Low	129 Å²	129	101.2 Å²	101.2	60%	0.603	56%	0.561	S	S	*	*	H	α-helix	trans	-66.1	-53.4	175	-71	174.9	-27.8	0	0	111.2	A455 V456 N461 N462 D463	A455-Q459 PolarHBondContact O-N 2.97Å; A455-Q459 VanDerWaalsContact O-N 3.15Å; V456-Q459 PolarHBondContact O-N 3.5Å; V456-Q459 VanDerWaalsContact O-N 3.17Å; Q459-N461 VanDerWaalsContact C-N 3.29Å; Q459-N461 PolarHBondContact O-N 3.2Å; Q459-N462 PolarHBondContact O-N 3.07Å; Q459-D463 PolarHBondContact O-N 3.26Å
460	L	62.2	Low	61.4	Low	101 Å²	101	103.3 Å²	103.3	53%	0.529	57%	0.572	S	S	.	*	H	α-helix	trans	-57	-39.2	-179.7	-65.6	170.8	0	0	0	112.9	V456 N462 D463 D464	V456-L460 HydrophobicContact CG1-CD1 4.09Å; V456-L460 HydrophobicContact CG1-CG 4.48Å; V456-L460 WeakPolarHBondContact O-CG 3.47Å; V456-L460 PolarHBondContact O-N 3.35Å; V456-L460 VanDerWaalsContact O-N 3.08Å; L460-N462 PolarHBondContact O-N 3.42Å; L460-D463 PolarHBondContact O-N 3.34Å; L460-D464 PolarHBondContact O-N 3.32Å
461	N	57.6	Low	59	Low	88 Å²	88	106.2 Å²	106.2	47%	0.471	58%	0.581	S	S	.	*	H	α-helix	trans	-69.3	-12	178.4	-85.2	-83.2	0	0	0	114.9	V457 Q459 R465	V457-N461 WeakPolarHBondContact O-CB 3.26Å; V457-N461 PolarHBondContact O-N 3.47Å; V457-N461 PolarHBondContact O-ND2 2.87Å; Q459-N461 VanDerWaalsContact C-N 3.29Å; Q459-N461 PolarHBondContact O-N 3.2Å; N461-R465 WeakPolarHBondContact O-CD 3.47Å; N461-R465 WeakPolarHBondContact O-CG 3.27Å; N461-R465 PolarHBondContact O-NE 3.34Å
462	N	52.9	Low	56.5	Low	99 Å²	99	113 Å²	113	53%	0.529	61%	0.608	S	S	.	*	H	α-helix	trans	-93.4	-34.1	174.7	-72.6	-31.9	0	0	0	112.2	V458 Q459 L460	V458-N462 PolarHBondContact O-ND2 2.9Å; Q459-N462 PolarHBondContact O-N 3.07Å; L460-N462 PolarHBondContact O-N 3.42Å
463	D	47.8	Very low	54	Low	117 Å²	117	111.1 Å²	111.1	63%	0.626	61%	0.61	S	S	*	*	H	α-helix	trans	-71.1	-43.3	179.7	-67.9	-37.3	0	0	0	111.8	Q459 L460 R465 N466	Q459-D463 PolarHBondContact O-N 3.26Å; L460-D463 PolarHBondContact O-N 3.34Å; D463-R465 PolarHBondContact O-N 2.94Å; D463-N466 PolarHBondContact O-N 3.2Å
464	D	49.6	Very low	51.7	Low	132 Å²	132	115 Å²	115	71%	0.706	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-4.4	179	-85.9	-18.2	0	0	0	114.7	L460	L460-D464 PolarHBondContact O-N 3.32Å
465	R	48.8	Very low	49.7	Very low	198 Å²	198	118.2 Å²	118.2	75%	0.747	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	1.2	-177.7	-71.2	-175.5	176.5	-147.2	-3.8	115.1	N461 D463	N461-R465 WeakPolarHBondContact O-CD 3.47Å; N461-R465 WeakPolarHBondContact O-CG 3.27Å; N461-R465 PolarHBondContact O-NE 3.34Å; D463-R465 PolarHBondContact O-N 2.94Å
466	N	39.6	Very low	47.5	Very low	150 Å²	150	123.2 Å²	123.2	80%	0.802	67%	0.666	S	S	*	*	S	Bend	trans	-103	9.7	-177.4	-72.5	-59.9	0	0	0	114.9	D463	D463-N466 PolarHBondContact O-N 3.2Å
467	S	34	Very low	45.4	Very low	85 Å²	85	131.5 Å²	131.5	59%	0.594	69%	0.69	S	S	*	*	S	Bend	trans	-114.3	151.7	174.6	50.8	0	0	0	0	113.3
468	D	37	Very low	43.4	Very low	164 Å²	164	139.1 Å²	139.1	88%	0.877	71%	0.71	S	S	*	*			trans	67.1	92.8	172.9	-65.1	-5.5	0	0	0	118.4
469	L	33.7	Very low	41.6	Very low	165 Å²	165	139.9 Å²	139.9	86%	0.864	72%	0.719	S	S	*	*			trans	-79.1	140.2	164.7	-62.4	161.4	0	0	0	110.9
470	L	36.6	Very low	40.3	Very low	148 Å²	148	141.1 Å²	141.1	78%	0.775	73%	0.728	S	S	*	*				160.9	135.8	116.1	-83.5	167.9	0	0	0	114.6
471	N	36.2	Very low	39	Very low	114 Å²	114	143.1 Å²	143.1	61%	0.61	74%	0.744	S	S	*	*			trans	72.4	105.5	143.7	-66.6	-6.4	0	0	0	123.5
472	H	35.3	Very low	37.8	Very low	160 Å²	160	150 Å²	150	74%	0.741	76%	0.764	S	S	*	*				88.1	97.3	126.7	-61.3	-38.8	0	0	0	123.1
473	S	31.7	Very low	37.1	Very low	94 Å²	94	150.3 Å²	150.3	66%	0.657	77%	0.771	S	S	*	*				99.4	120.2	109	-62.9	0	0	0	0	123.3
474	T	36.3	Very low	36.6	Very low	138 Å²	138	152.7 Å²	152.7	85%	0.847	78%	0.783	S	S	*	*			trans	88.3	148.3	141.6	54.8	0	0	0	0	123.2
475	P	39.7	Very low	35.9	Very low	120 Å²	120	149.8 Å²	149.8	78%	0.779	78%	0.784	S	S	*	*			trans	-142.5	-167.2	-153	40.5	-17.4	0	0	0	118.6
476	N	33.4	Very low	35.4	Very low	141 Å²	141	149.5 Å²	149.5	75%	0.754	79%	0.791	S	S	*	*			trans	95.1	119.7	143.2	-170.5	15.8	0	0	0	123.3
477	R	34.2	Very low	35.3	Very low	245 Å²	245	146 Å²	146	93%	0.925	79%	0.79	S	S	*	*			trans	-176.9	173.7	130.9	-106.3	-176.1	176.1	-136.5	-1.7	117.1
478	R	32.2	Very low	35.4	Very low	241 Å²	241	147.9 Å²	147.9	91%	0.909	80%	0.804	S	S	*	*			trans	-131.4	164.9	-170.2	-63.8	172.8	166.5	171.5	-6.4	114.6
479	S	33.1	Very low	35.5	Very low	108 Å²	108	144.6 Å²	144.6	76%	0.755	79%	0.794	S	S	*	*				151.6	112.7	121.4	-170.3	0	0	0	0	120.8
480	I	34.2	Very low	35.7	Very low	156 Å²	156	143.3 Å²	143.3	80%	0.8	79%	0.788	S	S	*	*				28.9	141.8	126.5	-54.7	163.5	0	0	0	124.1
481	V	34.3	Very low	35.7	Very low	143 Å²	143	141.6 Å²	141.6	87%	0.867	79%	0.788	S	S	*	*			trans	-177.7	164.2	131.7	146.2	0	0	0	0	114.7
482	R	33	Very low	35.7	Very low	232 Å²	232	140.9 Å²	140.9	88%	0.875	80%	0.798	S	S	*	*			trans	-153.4	-174.8	-165.3	-125.2	-174.2	-178.7	-168.2	2.1	111
483	P	39.2	Very low	35.6	Very low	106 Å²	106	137.9 Å²	137.9	69%	0.688	80%	0.801	S	S	*	*			cis	-136.6	-158.1	-23	42.5	-21.7	0	0	0	114.4
484	L	35.9	Very low	35.6	Very low	166 Å²	166	138.8 Å²	138.8	87%	0.869	81%	0.807	S	S	*	*				141.5	131.8	122.8	-155.5	74.1	0	0	0	120.9
485	G	35.2	Very low	35.5	Very low	71 Å²	71	136.7 Å²	136.7	73%	0.732	80%	0.798	S	S	*	*			trans	91.7	151.4	144.4	0	0	0	0	0	122.4
486	E	39.3	Very low	35.1	Very low	192 Å²	192	141.3 Å²	141.3	90%	0.897	81%	0.806	S	S	*	*			cis	-171.3	146.6	-21.3	-155.3	161.9	-110	0	0	114.7
487	G	36.5	Very low	34.9	Very low	76 Å²	76	138.4 Å²	138.4	78%	0.784	81%	0.81	S	S	*	*			trans	75.4	168.8	163	0	0	0	0	0	120.2
488	S	37.1	Very low	34.8	Very low	125 Å²	125	131.2 Å²	131.2	87%	0.874	80%	0.803	S	S	*	*			cis	173	153.2	-17.1	-174.9	0	0	0	0	109.4
489	S	38.3	Very low	34.8	Very low	96 Å²	96	126.1 Å²	126.1	67%	0.671	79%	0.794	S	S	*	*			cis	-167.5	-177.8	-28	-167.4	0	0	0	0	110.8
490	D	37.4	Very low	34.9	Very low	138 Å²	138	127.9 Å²	127.9	74%	0.738	79%	0.79	S	S	*	*			trans	87.2	92.1	148.8	-63.1	-7.6	0	0	0	126.2
491	S	38.1	Very low	34.7	Very low	112 Å²	112	128.2 Å²	128.2	78%	0.783	79%	0.786	S	S	*	*				71.7	116.5	101.5	-61.3	0	0	0	0	126.6
492	A	35.4	Very low	34.9	Very low	99 Å²	99	126.7 Å²	126.7	82%	0.818	77%	0.772	S	S	*	*				109.7	129.1	116.8	0	0	0	0	0	124.7
493	A	32.9	Very low	35	Very low	97 Å²	97	118.4 Å²	118.4	80%	0.802	75%	0.745	S	S	*	*			trans	65.2	152	141.7	0	0	0	0	0	122.6
494	S	32.7	Very low	34.8	Very low	112 Å²	112	117.4 Å²	117.4	78%	0.783	73%	0.731	S	S	*	*			cis	-171.4	172.5	-22.7	60.9	0	0	0	0	112.8
495	S	32.7	Very low	34.8	Very low	94 Å²	94	113.7 Å²	113.7	66%	0.657	71%	0.712	S	S	*	*			trans	90	106.1	137.6	-173.1	0	0	0	0	124.8
496	F	31.6	Very low	34.9	Very low	217 Å²	217	114.6 Å²	114.6	95%	0.952	71%	0.707	S	S	*	*			trans	59.4	146.6	135.2	-75.7	-95.8	0	0	0	125.3
497	G	30.6	Very low	34.8	Very low	81 Å²	81	114 Å²	114	84%	0.835	70%	0.696	S	S	*	*			trans	142.9	130.7	150.2	0	0	0	0	0	116.7
498	A	32.1	Very low	34.8	Very low	94 Å²	94	118.1 Å²	118.1	78%	0.777	70%	0.7	S	S	*	*			trans	-136	163.2	-166.8	0	0	0	0	0	118.3
499	N	30.6	Very low	34.7	Very low	134 Å²	134	118.5 Å²	118.5	72%	0.717	70%	0.697	S	S	*	*			trans	90.6	116.4	147.4	-73.3	-16.5	0	0	0	125.9
500	Q	35.2	Very low	34.6	Very low	145 Å²	145	118.3 Å²	118.3	68%	0.678	70%	0.695	S	S	*	*				68.5	134.6	124.1	-60.1	177.1	17.2	0	0	125.1
501	F	31.5	Very low	34.5	Very low	163 Å²	163	118.2 Å²	118.2	72%	0.715	70%	0.695	S	S	*	*				-174.7	-170.2	111.6	-110.7	-91.2	0	0	0	114.5
502	I	37.7	Very low	34.4	Very low	110 Å²	110	124.8 Å²	124.8	56%	0.564	70%	0.702	S	S	*	*			trans	-132.3	168.5	-142.9	-68	160.6	0	0	0	115.2	N642 K643 N644	I502-N642 CarbonylContact O-C 3.56Å; I502-K643 CarbonylContact O-C 3.57Å; I502-K643 VanDerWaalsContact O-C 3.27Å; I502-K643 WeakPolarHBondContact O-CA 3.33Å; I502-N644 PolarHBondContact O-N 3.28Å; I502-N644 VanDerWaalsContact O-N 3.1Å
503	D	34.2	Very low	34.4	Very low	59 Å²	59	126.7 Å²	126.7	32%	0.316	70%	0.699	S	S	.	*			trans	171.8	151.6	138.2	-111.9	24.8	0	0	0	123.2	N642 K643	D503-N642 VanDerWaalsContact OD1-CA 3.28Å; D503-N642 WeakPolarHBondContact OD1-CA 3.4Å; D503-N642 PolarHBondContact OD1-N 3.47Å; D503-K643 HydrophobicContact CB-CB 4.11Å; D503-K643 HydrophobicContact CB-CG 3.9Å; D503-K643 VanDerWaalsContact CG-CA 3.46Å; D503-K643 WeakPolarHBondContact OD2-CB 3.15Å; D503-K643 WeakPolarHBondContact OD2-CE 3.45Å; D503-K643 VanDerWaalsContact OD2-CG 3.27Å; D503-K643 WeakPolarHBondContact OD2-CG 3.38Å; D503-K643 IonicContact OD2-NZ 3.98Å; D503-K643 PolarHBondContact OD2-NZ 3.39Å
504	H	36.8	Very low	34.6	Very low	85 Å²	85	130 Å²	130	39%	0.394	70%	0.698	S	S	.	*				130.4	62.8	121.3	-61.1	-114.5	0	0	0	125.2	N640 S641	H504-N640 PolarHBondContact CE1-OD1 2.96Å; H504-S641 WeakPolarHBondContact NE2-CA 3.48Å; H504-S641 WeakPolarHBondContact NE2-CB 3.26Å
505	D	35.4	Very low	34.6	Very low	88 Å²	88	130.1 Å²	130.1	47%	0.471	70%	0.699	S	S	.	*			trans	80	141.9	138.6	-128.8	-50.3	0	0	0	127.3	R507	D505-R507 IonicContact OD1-CZ 2.66Å; D505-R507 IonicContact OD1-NH1 3.26Å; D505-R507 PolarHBondContact OD1-NH1 3.32Å; D505-R507 IonicContact OD1-NH2 2.84Å; D505-R507 IonicContact OD2-NH1 3.54Å; D505-R507 PolarHBondContact OD2-NH1 2.82Å
506	S	36.2	Very low	34.6	Very low	89 Å²	89	133.7 Å²	133.7	62%	0.622	71%	0.71	S	S	*	*			trans	98.7	146.3	140.4	-79.2	0	0	0	0	123.2
507	R	37.9	Very low	34.8	Very low	179 Å²	179	127.8 Å²	127.8	68%	0.675	70%	0.702	S	S	*	*			cis	-173	164.2	-21.2	-121.9	176.7	-172.6	89	14.9	113.4	D505	D505-R507 IonicContact OD1-CZ 2.66Å; D505-R507 IonicContact OD1-NH1 3.26Å; D505-R507 PolarHBondContact OD1-NH1 3.32Å; D505-R507 IonicContact OD1-NH2 2.84Å; D505-R507 IonicContact OD2-NH1 3.54Å; D505-R507 PolarHBondContact OD2-NH1 2.82Å
508	L	37.1	Very low	35.2	Very low	164 Å²	164	129.1 Å²	129.1	86%	0.859	70%	0.696	S	S	*	*			trans	70.5	165.6	164.1	-62.6	163.3	0	0	0	117.1
509	V	34.8	Very low	35.4	Very low	133 Å²	133	136.2 Å²	136.2	81%	0.806	70%	0.704	S	S	*	*			cis	-139.2	-142.3	8.9	73.2	0	0	0	0	113.5
510	S	36.5	Very low	35.5	Very low	91 Å²	91	133.7 Å²	133.7	64%	0.636	71%	0.709	S	S	*	*			trans	-149.5	179.2	-167.5	70.3	0	0	0	0	113.7
511	D	35.5	Very low	35.5	Very low	137 Å²	137	131.5 Å²	131.5	73%	0.733	71%	0.71	S	S	*	*			cis	-167.5	-174.8	9.7	-136	-38.5	0	0	0	114.5
512	W	35.2	Very low	35.5	Very low	249 Å²	249	131.3 Å²	131.3	94%	0.943	71%	0.712	S	S	*	*			trans	115.7	129.7	158.6	-73.4	78.4	0	0	0	119.6
513	D	34.9	Very low	35.3	Very low	139 Å²	139	132.9 Å²	132.9	74%	0.743	72%	0.72	S	S	*	*			trans	-162.9	177.2	-171.5	-176.2	31.5	0	0	0	114.7
514	Q	37	Very low	35.2	Very low	168 Å²	168	138.1 Å²	138.1	79%	0.785	75%	0.747	S	S	*	*			trans	84.9	155.6	164.8	-47.5	-176.6	7.4	0	0	118.4
515	S	32.8	Very low	34.9	Very low	114 Å²	114	137.3 Å²	137.3	80%	0.797	76%	0.762	S	S	*	*			cis	-151	-149.7	17.8	65.5	0	0	0	0	115.5
516	N	34	Very low	34.7	Very low	168 Å²	168	143.5 Å²	143.5	90%	0.898	78%	0.779	S	S	*	*			trans	-115.3	179	-147.9	-78	-64.3	0	0	0	120.1
517	A	35.1	Very low	34.4	Very low	93 Å²	93	147 Å²	147	77%	0.769	79%	0.791	S	S	*	*			trans	-85.4	-160	-172.6	0	0	0	0	0	115.3
518	P	39.3	Very low	34.1	Very low	110 Å²	110	143.4 Å²	143.4	71%	0.714	79%	0.789	S	S	*	*			cis	-147	-170.7	10.6	46.4	-25.2	0	0	0	119.6
519	Y	35.2	Very low	33.6	Very low	243 Å²	243	142.1 Å²	142.1	95%	0.953	79%	0.788	S	S	*	*			trans	66.6	129.4	159.7	-92	-83.1	0	0	0	122.1
520	G	32.8	Very low	33.4	Very low	80 Å²	80	141.3 Å²	141.3	83%	0.825	78%	0.783	S	S	*	*			trans	169.3	154.4	168.5	0	0	0	0	0	115
521	S	34.7	Very low	33	Very low	100 Å²	100	148.6 Å²	148.6	70%	0.699	80%	0.799	S	S	*	*			trans	-94.9	158	-165.9	-150.9	0	0	0	0	117.1
522	E	32.2	Very low	32.6	Very low	159 Å²	159	146.2 Å²	146.2	74%	0.743	79%	0.792	S	S	*	*			trans	82.5	128.5	143.8	-85.4	153.1	-103.1	0	0	126.1
523	L	33.1	Very low	32.3	Very low	143 Å²	143	143 Å²	143	75%	0.749	79%	0.786	S	S	*	*			trans	60.5	83.6	137.4	-68.9	163.5	0	0	0	121.1
524	L	32.9	Very low	32.1	Very low	168 Å²	168	144 Å²	144	88%	0.88	79%	0.786	S	S	*	*				179.1	161.7	90.7	-123.3	67.8	0	0	0	112.3
525	G	30	Very low	31.8	Very low	68 Å²	68	147 Å²	147	70%	0.701	79%	0.79	S	S	*	*			trans	82.8	64.3	162.5	0	0	0	0	0	117.2	N527	G525-N527 PolarHBondContact O-N 3.46Å
526	R	31.1	Very low	31.8	Very low	219 Å²	219	145.8 Å²	145.8	83%	0.826	78%	0.781	S	S	*	*			trans	-75.8	83.4	177.7	-169.2	-178.5	-174.5	163.8	4.7	112.8	T528	R526-T528 PolarHBondContact O-N 3.44Å
527	N	30.9	Very low	31.8	Very low	163 Å²	163	147.8 Å²	147.8	87%	0.872	78%	0.782	S	S	*	*			trans	-67.6	125.2	158.8	-75.1	-17	0	0	0	109.1	G525	G525-N527 PolarHBondContact O-N 3.46Å
528	T	30.2	Very low	31.6	Very low	103 Å²	103	150.5 Å²	150.5	63%	0.632	78%	0.784	S	S	*	*			trans	-130.4	125.5	168.5	-1.8	0	0	0	0	107.9	R526 T530	R526-T528 PolarHBondContact O-N 3.44Å; T528-T530 PolarHBondContact O-N 3.29Å
529	T	28.3	Very low	31.5	Very low	136 Å²	136	151.9 Å²	151.9	83%	0.834	79%	0.79	S	S	*	*			trans	-64.3	124.1	-172.7	44.3	0	0	0	0	112
530	T	29.7	Very low	31.6	Very low	117 Å²	117	145.6 Å²	145.6	72%	0.718	78%	0.777	S	S	*	*			trans	-153.6	120.3	170.3	-65.6	0	0	0	0	107.5	T528	T528-T530 PolarHBondContact O-N 3.29Å
531	Y	27.9	Very low	31.9	Very low	244 Å²	244	148.1 Å²	148.1	96%	0.957	77%	0.771	S	S	*	*	S	Bend	trans	34.7	89.8	176.2	-77.5	-85.1	0	0	0	116.5
532	S	26.7	Very low	32	Very low	86 Å²	86	149.9 Å²	149.9	60%	0.601	77%	0.773	S	S	*	*			trans	-132.9	153.1	178.7	56.4	0	0	0	0	112
533	F	29.8	Very low	32.4	Very low	183 Å²	183	149.1 Å²	149.1	80%	0.803	77%	0.774	S	S	*	*			trans	78.7	111.9	-176.5	-62	-79	0	0	0	115.4
534	Q	29.9	Very low	32.7	Very low	159 Å²	159	148.7 Å²	148.7	74%	0.743	78%	0.777	S	S	*	*			cis	86.4	89.3	15	-159.6	-165.8	-9.9	0	0	116.5
535	R	31.4	Very low	32.6	Very low	231 Å²	231	149.2 Å²	149.2	87%	0.872	78%	0.775	S	S	*	*			trans	-167.7	127.1	133.1	-100.9	162.4	-177	-159.5	-0.9	106.8
536	S	31.9	Very low	32.8	Very low	89 Å²	89	151.7 Å²	151.7	62%	0.622	78%	0.781	S	S	*	*			cis	70.7	89.6	47.3	-50.6	0	0	0	0	112.7
537	F	33.9	Very low	33	Very low	209 Å²	209	146.1 Å²	146.1	92%	0.917	78%	0.782	S	S	*	*			trans	-129.8	136.5	154.4	-99.8	-83.9	0	0	0	108.3
538	N	32.3	Very low	32.9	Very low	151 Å²	151	143.9 Å²	143.9	81%	0.807	78%	0.78	S	S	*	*			trans	-100.2	131.6	-177.7	-58.7	-15.8	0	0	0	109.6
539	V	36	Very low	33	Very low	138 Å²	138	149.9 Å²	149.9	84%	0.836	79%	0.791	S	S	*	*			trans	-136.3	129.4	145.1	-170.6	0	0	0	0	107.8
540	V	37.1	Very low	33.2	Very low	112 Å²	112	151.7 Å²	151.7	68%	0.679	79%	0.787	S	S	*	*			trans	-45.8	163.3	165.7	-110.5	0	0	0	0	113.5
541	D	39	Very low	33.5	Very low	132 Å²	132	155.9 Å²	155.9	71%	0.706	80%	0.798	S	S	*	*			cis	-137.2	160.4	18.2	-63.4	-81	0	0	0	113.4
542	D	38.1	Very low	33.6	Very low	138 Å²	138	154.5 Å²	154.5	74%	0.738	79%	0.791	S	S	*	*			trans	25.1	146.6	140	-48.4	-9.7	0	0	0	121
543	D	40	Very low	34.1	Very low	143 Å²	143	157.2 Å²	157.2	77%	0.765	80%	0.799	S	S	*	*			cis	-160.4	155.9	0	-122.1	-22.7	0	0	0	106
544	V	39.4	Very low	34.3	Very low	134 Å²	134	152 Å²	152	81%	0.812	80%	0.797	S	S	*	*				-166.6	144.7	64.4	166.2	0	0	0	0	109.4
545	E	30.3	Very low	34.6	Very low	178 Å²	178	151.5 Å²	151.5	83%	0.832	80%	0.798	S	S	*	*			trans	-84.9	146.6	174.2	-65.9	-171.3	101.6	0	0	115.7
546	S	35.2	Very low	34.9	Very low	120 Å²	120	146.9 Å²	146.9	84%	0.839	79%	0.79	S	S	*	*			trans	-174.8	95.8	133.7	-83.8	0	0	0	0	111.1
547	A	34.9	Very low	35.1	Very low	102 Å²	102	148.7 Å²	148.7	84%	0.843	79%	0.793	S	S	*	*				92.3	81.8	83.3	0	0	0	0	0	114.2
548	S	28.5	Very low	35.1	Very low	117 Å²	117	149.2 Å²	149.2	82%	0.818	79%	0.789	S	S	*	*			trans	-94.7	131.6	169.8	54.9	0	0	0	0	111.8
549	R	33.3	Very low	35	Very low	229 Å²	229	146.3 Å²	146.3	86%	0.864	78%	0.78	S	S	*	*			trans	-145	111.3	171.6	-76.6	-164.3	177.4	168	3.3	114
550	F	31.2	Very low	34.6	Very low	174 Å²	174	144.9 Å²	144.9	76%	0.763	78%	0.777	S	S	*	*			trans	36.8	127.5	142.5	-53.8	-77.6	0	0	0	121.2
551	H	36.6	Very low	34.4	Very low	205 Å²	205	145.5 Å²	145.5	95%	0.949	79%	0.786	S	S	*	*				-140.4	172.9	112.2	-102.9	-75.8	0	0	0	110.2
552	R	31.1	Very low	33.9	Very low	214 Å²	214	149 Å²	149	81%	0.808	80%	0.795	S	S	*	*			trans	-143.2	166	-150.2	-159	-168.7	-172.6	-152.3	6	113.3
553	N	35.2	Very low	33.8	Very low	144 Å²	144	148.4 Å²	148.4	77%	0.77	80%	0.799	S	S	*	*			trans	84.9	136.5	173.3	-39.9	-28	0	0	0	113
554	G	34.3	Very low	33.3	Very low	73 Å²	73	153.3 Å²	153.3	75%	0.753	81%	0.807	S	S	*	*			cis	172.4	-177.2	-1.7	0	0	0	0	0	109.2
555	I	37.9	Very low	33.1	Very low	149 Å²	149	152.9 Å²	152.9	76%	0.764	81%	0.807	S	S	*	*			cis	-170	165.4	-10.2	-125.6	168.3	0	0	0	109.2
556	N	37.6	Very low	33.2	Very low	133 Å²	133	149.4 Å²	149.4	71%	0.711	80%	0.802	S	S	*	*			trans	72.1	131.6	179.7	-58.4	-31.1	0	0	0	116.1
557	N	35.6	Very low	33.1	Very low	127 Å²	127	149.9 Å²	149.9	68%	0.679	80%	0.8	S	S	*	*			cis	90.6	134.7	41.4	-69.5	-0.1	0	0	0	113.4
558	W	32.8	Very low	33	Very low	221 Å²	221	149.9 Å²	149.9	84%	0.837	79%	0.794	S	S	*	*			cis	-163	157.5	-0.1	-121.5	21.1	0	0	0	113.8
559	S	30.9	Very low	33.2	Very low	89 Å²	89	149.9 Å²	149.9	62%	0.622	79%	0.785	S	S	*	*			trans	44.7	102.1	149.9	64	0	0	0	0	124.5
560	S	28.5	Very low	33.4	Very low	109 Å²	109	146.1 Å²	146.1	76%	0.762	78%	0.777	S	S	*	*				20.1	141.8	123.4	61.8	0	0	0	0	124.3
561	S	32.9	Very low	33.7	Very low	124 Å²	124	144.2 Å²	144.2	87%	0.867	77%	0.774	S	S	*	*			trans	-160.7	145.2	137.6	-82	0	0	0	0	113
562	F	28.3	Very low	33.6	Very low	205 Å²	205	140.8 Å²	140.8	90%	0.899	76%	0.762	S	S	*	*			trans	-124.1	151	173.6	-87	-84.6	0	0	0	110.2
563	P	36.2	Very low	33.8	Very low	127 Å²	127	137.6 Å²	137.6	83%	0.825	76%	0.761	S	S	*	*			trans	-128.7	155.6	151	25.2	-6.6	0	0	0	113.9
564	R	28.7	Very low	33.9	Very low	246 Å²	246	135.3 Å²	135.3	93%	0.928	76%	0.756	S	S	*	*			trans	-105.6	159	170	-111.6	-170.3	177.3	-165.2	0.8	110.6
565	P	34.9	Very low	34	Very low	124 Å²	124	137.9 Å²	137.9	81%	0.805	76%	0.758	S	S	*	*			trans	-105.6	161.3	-170.8	39.7	-34.7	0	0	0	115
566	S	32.6	Very low	33.7	Very low	105 Å²	105	137 Å²	137	73%	0.734	76%	0.755	S	S	*	*			trans	-160.4	126.1	158.1	54.6	0	0	0	0	114
567	T	33.3	Very low	33.6	Very low	130 Å²	130	140.7 Å²	140.7	80%	0.798	76%	0.759	S	S	*	*			trans	61.2	129.9	143.7	55.2	0	0	0	0	123.6
568	S	32.4	Very low	33.3	Very low	102 Å²	102	140.7 Å²	140.7	71%	0.713	76%	0.763	S	S	*	*			trans	109.7	113.3	131.9	-91.5	0	0	0	0	122.2
569	D	33.4	Very low	33.5	Very low	118 Å²	118	136.1 Å²	136.1	63%	0.631	77%	0.765	S	S	*	*			trans	84.7	107.4	132.9	-69.1	-70.6	0	0	0	123.9
570	Q	36.2	Very low	33.6	Very low	150 Å²	150	140.6 Å²	140.6	70%	0.701	78%	0.776	S	S	*	*				89.1	118.2	124.8	-72	175.5	47.4	0	0	122.9
571	I	38	Very low	33.9	Very low	134 Å²	134	141 Å²	141	69%	0.687	78%	0.776	S	S	*	*				68.5	124.9	129.1	-60.6	169.7	0	0	0	115.8
572	D	35.1	Very low	34	Very low	133 Å²	133	140.4 Å²	140.4	71%	0.711	77%	0.767	S	S	*	*			cis	-155.7	-179.1	49.3	-140.8	-31.2	0	0	0	115.8
573	N	35.4	Very low	34.4	Very low	146 Å²	146	141.9 Å²	141.9	78%	0.781	77%	0.768	S	S	*	*			trans	-50.7	167.7	-179.1	-71.1	-78.5	0	0	0	116.8
574	S	36.3	Very low	34.1	Very low	96 Å²	96	146.1 Å²	146.1	67%	0.671	77%	0.768	S	S	*	*			cis	-169.9	149	36.9	57.6	0	0	0	0	117.3
575	T	37.6	Very low	34.5	Very low	128 Å²	128	141.7 Å²	141.7	79%	0.785	76%	0.762	S	S	*	*			trans	49.6	115.3	144.6	56.6	0	0	0	0	122.6
576	D	31.6	Very low	34.4	Very low	131 Å²	131	140.2 Å²	140.2	70%	0.701	75%	0.754	S	S	*	*				96.4	150.9	63.9	-172.7	37.2	0	0	0	115.8
577	R	35.2	Very low	34.3	Very low	210 Å²	210	140.2 Å²	140.2	79%	0.792	75%	0.754	S	S	*	*			trans	100.5	82.9	160.5	-52.8	-159.9	172.5	-168.9	-2.7	124.2
578	T	30.2	Very low	34.5	Very low	127 Å²	127	143 Å²	143	78%	0.779	76%	0.758	S	S	*	*				19.5	138.9	120.6	51.1	0	0	0	0	123.7
579	S	36.4	Very low	34.5	Very low	124 Å²	124	143.8 Å²	143.8	87%	0.867	76%	0.759	S	S	*	*				-174.9	150.4	125.6	43.1	0	0	0	0	114.7
580	H	31.9	Very low	34.3	Very low	184 Å²	184	142.8 Å²	142.8	85%	0.852	76%	0.761	S	S	*	*			trans	-113.4	162.7	170.8	-85.7	-65.9	0	0	0	109.8
581	P	36.2	Very low	34.2	Very low	117 Å²	117	141.8 Å²	141.8	76%	0.76	77%	0.766	S	S	*	*				-152.5	136.4	100.5	36.1	-16.9	0	0	0	118.4
582	T	34.1	Very low	33.8	Very low	112 Å²	112	144.4 Å²	144.4	69%	0.687	77%	0.772	S	S	*	*				28.8	130.4	126.7	-47.8	0	0	0	0	122.7
583	Y	36.5	Very low	33.4	Very low	235 Å²	235	145.4 Å²	145.4	92%	0.922	78%	0.776	S	S	*	*				-146.4	156	129.9	-109.7	-79.6	0	0	0	111.6
584	R	31.4	Very low	33	Very low	216 Å²	216	144.4 Å²	144.4	82%	0.815	77%	0.771	S	S	*	*			trans	-114.9	155.1	-173.7	-71.5	178.2	172.4	173.3	-3.2	112.7
585	L	35.1	Very low	32.6	Very low	154 Å²	154	145.2 Å²	145.2	81%	0.806	78%	0.776	S	S	*	*				-177.7	118.4	116.7	-112.7	72.2	0	0	0	107.8
586	S	33.3	Very low	32.1	Very low	93 Å²	93	147 Å²	147	65%	0.65	78%	0.779	S	S	*	*				60.9	134.2	95.2	76.8	0	0	0	0	115.9
587	S	31.9	Very low	31.9	Very low	104 Å²	104	147.4 Å²	147.4	73%	0.727	78%	0.782	S	S	*	*			cis	-179.2	135.9	-6.4	43.4	0	0	0	0	110.9
588	Q	36	Very low	31.6	Very low	188 Å²	188	146.4 Å²	146.4	88%	0.879	79%	0.786	S	S	*	*			trans	-167	137	137.5	-109.1	166.6	26.5	0	0	112.6
589	T	32.3	Very low	31.4	Very low	119 Å²	119	146.4 Å²	146.4	73%	0.73	78%	0.781	S	S	*	*			trans	-25.3	156.6	154.2	50.4	0	0	0	0	116.7
590	S	29.4	Very low	31	Very low	98 Å²	98	147.4 Å²	147.4	69%	0.685	78%	0.777	S	S	*	*			cis	-177	157.5	-5.6	-95.1	0	0	0	0	107.7
591	T	34.1	Very low	30.7	Very low	129 Å²	129	146 Å²	146	79%	0.791	78%	0.775	S	S	*	*			cis	-148.8	165.4	-5.6	-4.8	0	0	0	0	110.3
592	K	30.2	Very low	30.3	Very low	188 Å²	188	149.6 Å²	149.6	82%	0.817	78%	0.779	S	S	*	*			trans	-157.8	177.6	164.3	-113.3	-175.9	-179	-178.4	0	107.6
593	L	26.6	Very low	30.2	Very low	154 Å²	154	149.4 Å²	149.4	81%	0.806	78%	0.779	S	S	*	*			trans	126.9	122	162.5	-68.7	161.5	0	0	0	109.5
594	N	27.2	Very low	29.6	Very low	126 Å²	126	144.7 Å²	144.7	67%	0.674	77%	0.77	S	S	*	*			cis	89.6	122.7	42	-75.9	13.6	0	0	0	114
595	C	26.5	Very low	29.5	Very low	113 Å²	113	140.6 Å²	140.6	76%	0.764	77%	0.765	S	S	*	*			trans	51.9	122.1	133.5	-51.3	0	0	0	0	119.7
596	L	27.5	Very low	29.1	Very low	165 Å²	165	138.9 Å²	138.9	86%	0.864	76%	0.756	S	S	*	*			trans	-131.5	137	144.4	-144.2	74.3	0	0	0	109.6
597	N	27.3	Very low	28.9	Very low	140 Å²	140	142 Å²	142	75%	0.749	76%	0.76	S	S	*	*			trans	-74.4	144.9	172.7	-77.2	-26	0	0	0	110.3
598	Q	29.3	Very low	28.9	Very low	188 Å²	188	144.3 Å²	144.3	88%	0.879	77%	0.77	S	S	*	*			trans	-151.3	121	135.5	-120.5	160.4	70.1	0	0	114.6
599	N	27.3	Very low	28.5	Very low	128 Å²	128	144.8 Å²	144.8	68%	0.684	76%	0.764	S	S	*	*			trans	-37	157.3	173.1	-50.5	-20.6	0	0	0	118.5
600	N	26.1	Very low	28.6	Very low	144 Å²	144	145.9 Å²	145.9	77%	0.77	77%	0.77	S	S	*	*			trans	87.2	140.8	138.1	-72.9	-5.7	0	0	0	122.1
601	L	26.7	Very low	28.7	Very low	155 Å²	155	145.4 Å²	145.4	81%	0.812	76%	0.756	S	S	*	*			trans	66.8	107.1	156.4	-91.9	71.9	0	0	0	119.7
602	F	28.3	Very low	28.7	Very low	193 Å²	193	147.3 Å²	147.3	85%	0.846	76%	0.755	S	S	*	*			trans	-49.6	148.4	130.2	-75.4	-85	0	0	0	109.8
603	P	30.9	Very low	28.9	Very low	107 Å²	107	142.7 Å²	142.7	70%	0.695	74%	0.74	S	S	*	*			cis	-147.2	170	49.4	43.5	-25.5	0	0	0	118.3
604	N	25.1	Very low	29.3	Very low	137 Å²	137	146.8 Å²	146.8	73%	0.733	75%	0.746	S	S	*	*			trans	46.1	139.9	141.7	-76.9	20.5	0	0	0	123.9
605	N	27.4	Very low	29.6	Very low	130 Å²	130	146.9 Å²	146.9	70%	0.695	74%	0.742	S	S	*	*			trans	92.8	118.4	147.5	-65	0.3	0	0	0	120.1
606	N	27.1	Very low	29.9	Very low	118 Å²	118	148.8 Å²	148.8	63%	0.631	75%	0.745	S	S	*	*			trans	60.8	106.7	131.7	-62.2	58	0	0	0	118
607	E	29.2	Very low	30.2	Very low	158 Å²	158	147.6 Å²	147.6	74%	0.738	74%	0.744	S	S	*	*				96.7	112.6	75.7	-88.9	-172.8	126.7	0	0	111.9
608	T	32.2	Very low	30.3	Very low	153 Å²	153	145.8 Å²	145.8	94%	0.939	74%	0.743	S	S	*	*			trans	-140.6	111.2	146.9	27.9	0	0	0	0	108.4
609	R	28.6	Very low	30.2	Very low	198 Å²	198	145.3 Å²	145.3	75%	0.747	74%	0.741	S	S	*	*			trans	-121.1	126.8	-176.1	175.2	-172.1	172.8	-169.3	-0.5	109.8	K611	R609-K611 HydrophobicContact CG-CB 4.42Å
610	V	33.4	Very low	30.4	Very low	142 Å²	142	146.8 Å²	146.8	86%	0.861	75%	0.747	S	S	*	*			trans	-127.4	111.4	167.3	-175.1	0	0	0	0	105.4
611	K	32.5	Very low	30.5	Very low	88 Å²	88	144.3 Å²	144.3	38%	0.383	74%	0.741	S	S	.	*			cis	88	90.5	15	-151.7	-168.3	-173.2	-76.2	0	115.7	R609 D613 Q615	R609-K611 HydrophobicContact CG-CB 4.42Å; K611-D613 IonicContact NZ-OD1 2.64Å; K611-D613 PolarHBondContact NZ-OD1 2.9Å; K611-Q615 VanDerWaalsContact CE-OE1 3.26Å
612	H	33.2	Very low	30.5	Very low	168 Å²	168	142.9 Å²	142.9	78%	0.778	74%	0.744	S	S	*	*				-130.1	116.7	128.3	-77.1	-62.1	0	0	0	105.5
613	D	33.4	Very low	30.6	Very low	92 Å²	92	143.9 Å²	143.9	49%	0.492	74%	0.742	S	S	.	*				72.4	123.3	83.8	-55.4	-32.7	0	0	0	110.1	K611	K611-D613 IonicContact NZ-OD1 2.64Å; K611-D613 PolarHBondContact NZ-OD1 2.9Å
614	Y	35.9	Very low	30.7	Very low	240 Å²	240	144.6 Å²	144.6	94%	0.941	74%	0.744	S	S	*	*			cis	-98.9	158.5	42.1	-75.4	-104.5	0	0	0	117.7
615	Q	32.7	Very low	30.9	Very low	127 Å²	127	146.3 Å²	146.3	59%	0.593	75%	0.748	S	S	*	*			trans	-137.1	143.8	162.5	-71.8	178.7	-123.6	0	0	109	K611	K611-Q615 VanDerWaalsContact CE-OE1 3.26Å
616	N	34.5	Very low	31.1	Very low	153 Å²	153	147.2 Å²	147.2	82%	0.818	75%	0.753	S	S	*	*				-176.3	162	121.5	-96.9	-39.8	0	0	0	114.3
617	V	33.5	Very low	31.1	Very low	140 Å²	140	147.8 Å²	147.8	85%	0.848	76%	0.755	S	S	*	*			trans	59	80.4	175.7	-160.3	0	0	0	0	116.1
618	S	28.2	Very low	31.2	Very low	102 Å²	102	147.8 Å²	147.8	71%	0.713	76%	0.759	S	S	*	*			trans	-95.9	176.2	145.7	57.1	0	0	0	0	109.7
619	Q	28.8	Very low	31.1	Very low	179 Å²	179	145.2 Å²	145.2	84%	0.836	74%	0.743	S	S	*	*			trans	82.2	104.3	172.4	-49.4	179	9.9	0	0	117.8
620	I	29.8	Very low	31.3	Very low	159 Å²	159	142.2 Å²	142.2	82%	0.815	75%	0.746	S	S	*	*				-147.4	154.4	124.8	-102.8	158.5	0	0	0	107.6
621	S	28.5	Very low	31.2	Very low	91 Å²	91	142.2 Å²	142.2	64%	0.636	74%	0.737	S	S	*	*			trans	-63.1	135.5	-162.9	-58	0	0	0	0	115.8	R623	S621-R623 PolarHBondContact O-N 3.49Å
622	S	27.8	Very low	31	Very low	126 Å²	126	150.1 Å²	150.1	88%	0.881	76%	0.764	S	S	*	*			trans	-61.7	110.5	139.4	42.9	0	0	0	0	109.2
623	R	29.6	Very low	30.9	Very low	213 Å²	213	146 Å²	146	80%	0.804	75%	0.754	S	S	*	*			trans	-146.9	156.7	171.5	-103.3	-176.5	176	-172.5	-2.4	110.7	S621	S621-R623 PolarHBondContact O-N 3.49Å
624	T	34	Very low	30.9	Very low	122 Å²	122	147.8 Å²	147.8	75%	0.748	77%	0.769	S	S	*	*			trans	51.7	88.9	178.6	48.6	0	0	0	0	115.2
625	H	28.8	Very low	30.8	Very low	174 Å²	174	143 Å²	143	81%	0.806	76%	0.758	S	S	*	*				-44.4	138.5	121.2	-88.5	-64.5	0	0	0	109.1
626	D	30.7	Very low	30.8	Very low	149 Å²	149	144.5 Å²	144.5	80%	0.797	77%	0.77	S	S	*	*			trans	-134.4	137.7	139.2	-88.6	-49.7	0	0	0	106.8
627	D	28.2	Very low	30.7	Very low	129 Å²	129	144.7 Å²	144.7	69%	0.69	77%	0.771	S	S	*	*			trans	-80.5	124.7	-170	-70.8	-65.6	0	0	0	112.5
628	I	31.6	Very low	30.8	Very low	159 Å²	159	144.8 Å²	144.8	82%	0.815	77%	0.767	S	S	*	*			trans	-124.3	91	148.9	-58.7	-175.4	0	0	0	108.4	V630	I628-V630 PolarHBondContact O-N 3.27Å; I628-V630 VanDerWaalsContact O-N 3.07Å
629	T	28.4	Very low	31.1	Very low	98 Å²	98	145.2 Å²	145.2	60%	0.601	76%	0.761	S	S	*	*			trans	-67.3	100.5	173.6	-42	0	0	0	0	110.1	H631	T629-H631 HydrophobicContact CG2-CB 4.2Å; T629-H631 PolarHBondContact O-N 3.02Å
630	V	33	Very low	31.3	Very low	135 Å²	135	141.8 Å²	141.8	82%	0.818	75%	0.749	S	S	*	*			trans	-76.3	72.8	167.5	-173.8	0	0	0	0	108.7	I628 R632	I628-V630 PolarHBondContact O-N 3.27Å; I628-V630 VanDerWaalsContact O-N 3.07Å; V630-R632 PolarHBondContact O-N 3.33Å; V630-R632 VanDerWaalsContact O-N 3.12Å
631	H	32.2	Very low	31.5	Very low	143 Å²	143	138.2 Å²	138.2	66%	0.662	74%	0.738	S	S	*	*			trans	-67	109.8	-179.7	-136.8	-65.2	0	0	0	108.8	T629 S633	T629-H631 HydrophobicContact CG2-CB 4.2Å; T629-H631 PolarHBondContact O-N 3.02Å; H631-S633 PolarHBondContact ND1-OG 3.26Å; H631-S633 PolarHBondContact O-N 2.97Å; H631-S633 PolarHBondContact O-OG 3.46Å
632	R	28.7	Very low	31.7	Very low	253 Å²	253	138.4 Å²	138.4	96%	0.955	73%	0.732	S	S	*	*			trans	-77.5	56.5	176.4	-160.9	-174.8	-154.4	171.2	7.5	110.8	V630	V630-R632 PolarHBondContact O-N 3.33Å; V630-R632 VanDerWaalsContact O-N 3.12Å
633	S	31.7	Very low	32	Very low	81 Å²	81	137.4 Å²	137.4	57%	0.566	71%	0.712	S	S	*	*			trans	-109.2	116	-178.5	43.7	0	0	0	0	110.7	H631 I635	H631-S633 PolarHBondContact ND1-OG 3.26Å; H631-S633 PolarHBondContact O-N 2.97Å; H631-S633 PolarHBondContact O-OG 3.46Å; S633-I635 PolarHBondContact O-N 2.87Å
634	T	32.9	Very low	32.2	Very low	131 Å²	131	133.6 Å²	133.6	80%	0.804	71%	0.707	S	S	*	*			trans	-52.9	121.6	176.6	-50.5	0	0	0	0	112.5
635	I	32.6	Very low	32.1	Very low	138 Å²	138	136.3 Å²	136.3	71%	0.708	71%	0.711	S	S	*	*			trans	17.1	110.7	140.7	-52.1	166.3	0	0	0	115.7	S633	S633-I635 PolarHBondContact O-N 2.87Å
636	N	33.7	Very low	32.7	Very low	160 Å²	160	132.5 Å²	132.5	86%	0.856	70%	0.702	S	S	*	*				-161.3	146.3	123.1	-97.9	-27.2	0	0	0	111.1
637	N	33.2	Very low	32.8	Very low	156 Å²	156	131.9 Å²	131.9	83%	0.834	70%	0.698	S	S	*	*			trans	-88	163.5	-177.1	-74.8	-34.6	0	0	0	112.1
638	D	34.5	Very low	32.9	Very low	143 Å²	143	132.6 Å²	132.6	77%	0.765	70%	0.702	S	S	*	*				-155.4	138.6	129.9	-128.2	-11.6	0	0	0	115.5
639	N	35.3	Very low	32.9	Very low	111 Å²	111	130 Å²	130	59%	0.594	69%	0.694	S	S	*	*			trans	58.7	110.5	155.8	-64	-59.3	0	0	0	124.4
640	N	32.2	Very low	32.9	Very low	107 Å²	107	133.5 Å²	133.5	57%	0.572	70%	0.701	S	S	*	*				61.4	148.8	124.8	-52.7	-34.4	0	0	0	121.4	H504	H504-N640 PolarHBondContact CE1-OD1 2.96Å
641	S	34.2	Very low	32.7	Very low	84 Å²	84	133 Å²	133	59%	0.587	69%	0.694	S	S	*	*			cis	-178.6	151.2	-13	55.4	0	0	0	0	110.6	H504	H504-S641 WeakPolarHBondContact NE2-CA 3.48Å; H504-S641 WeakPolarHBondContact NE2-CB 3.26Å
642	N	33.2	Very low	32.5	Very low	95 Å²	95	131 Å²	131	51%	0.508	70%	0.696	S	S	.	*			trans	154	147.6	153.7	174.9	145.5	0	0	0	114.6	I502 D503	I502-N642 CarbonylContact O-C 3.56Å; D503-N642 VanDerWaalsContact OD1-CA 3.28Å; D503-N642 WeakPolarHBondContact OD1-CA 3.4Å; D503-N642 PolarHBondContact OD1-N 3.47Å
643	K	34.2	Very low	32.4	Very low	104 Å²	104	127.1 Å²	127.1	45%	0.452	69%	0.686	S	S	.	*				-135.1	146	-103	-169.7	175.3	-83.7	64.8	0	117.3	I502 D503	I502-K643 CarbonylContact O-C 3.57Å; I502-K643 VanDerWaalsContact O-C 3.27Å; I502-K643 WeakPolarHBondContact O-CA 3.33Å; D503-K643 HydrophobicContact CB-CB 4.11Å; D503-K643 HydrophobicContact CB-CG 3.9Å; D503-K643 VanDerWaalsContact CG-CA 3.46Å; D503-K643 WeakPolarHBondContact OD2-CB 3.15Å; D503-K643 WeakPolarHBondContact OD2-CE 3.45Å; D503-K643 VanDerWaalsContact OD2-CG 3.27Å; D503-K643 WeakPolarHBondContact OD2-CG 3.38Å; D503-K643 IonicContact OD2-NZ 3.98Å; D503-K643 PolarHBondContact OD2-NZ 3.39Å
644	N	33.6	Very low	32.3	Very low	134 Å²	134	130.5 Å²	130.5	72%	0.717	70%	0.697	S	S	*	*			trans	87.7	144.6	151.4	-85.3	-14.8	0	0	0	124.6	I502	I502-N644 PolarHBondContact O-N 3.28Å; I502-N644 VanDerWaalsContact O-N 3.1Å
645	H	32.1	Very low	32	Very low	179 Å²	179	128.8 Å²	128.8	83%	0.829	69%	0.691	S	S	*	*			trans	-86.8	-168.6	166.1	-135.5	-0.9	0	0	0	109.8
646	P	39.7	Very low	31.7	Very low	93 Å²	93	128.1 Å²	128.1	60%	0.604	69%	0.693	S	S	*	*			cis	-147.9	-172.1	13.1	45	-23.5	0	0	0	118.9
647	N	32.8	Very low	31.4	Very low	136 Å²	136	132 Å²	132	73%	0.727	70%	0.695	S	S	*	*			trans	84.2	147.5	139.6	-77.1	-11.2	0	0	0	125.4
648	N	31.7	Very low	31.1	Very low	144 Å²	144	130.9 Å²	130.9	77%	0.77	69%	0.694	S	S	*	*			trans	78.5	139.5	156.2	-67.7	-5	0	0	0	119.6
649	T	30.9	Very low	31	Very low	105 Å²	105	127.9 Å²	127.9	64%	0.644	70%	0.697	S	S	*	*			cis	-165.1	137.5	-13.8	-109.7	0	0	0	0	112.3
650	F	29	Very low	30.6	Very low	171 Å²	171	127.4 Å²	127.4	75%	0.75	70%	0.702	S	S	*	*			trans	50.3	122.3	153.2	-75.2	-116.5	0	0	0	120
651	N	27.8	Very low	30.6	Very low	125 Å²	125	127.9 Å²	127.9	67%	0.668	71%	0.714	S	S	*	*				62.9	113.1	76.3	-64.8	-37.3	0	0	0	115.4
652	S	27.9	Very low	30.4	Very low	100 Å²	100	130 Å²	130	70%	0.699	72%	0.718	S	S	*	*			trans	-175.8	107.9	146.6	179.2	0	0	0	0	108.8
653	F	28.2	Very low	30.3	Very low	172 Å²	172	132.4 Å²	132.4	75%	0.754	73%	0.731	S	S	*	*				62.1	140.7	87.8	-52.5	-45.2	0	0	0	114.3
654	L	28.2	Very low	30.3	Very low	152 Å²	152	134.4 Å²	134.4	80%	0.796	75%	0.746	S	S	*	*			cis	-174.8	-176.2	-9.8	-116.8	168.1	0	0	0	108.9
655	S	27.4	Very low	30.1	Very low	96 Å²	96	133.5 Å²	133.5	67%	0.671	75%	0.746	S	S	*	*			trans	67.2	97.4	151.9	-162.8	0	0	0	0	118.1
656	V	26	Very low	30.1	Very low	123 Å²	123	131.5 Å²	131.5	75%	0.745	74%	0.741	S	S	*	*				48.1	117.2	85.6	-177.6	0	0	0	0	114.4
657	R	27.9	Very low	29.7	Very low	243 Å²	243	134 Å²	134	92%	0.917	75%	0.75	S	S	*	*			trans	-150.7	128.7	135.8	-161	169.7	-74.4	-145.9	0.2	110.7
658	V	26.9	Very low	29.7	Very low	131 Å²	131	136.2 Å²	136.2	79%	0.794	75%	0.753	S	S	*	*			trans	-84.6	142.3	175.8	174.8	0	0	0	0	109.8
659	G	31.2	Very low	29.7	Very low	81 Å²	81	135.9 Å²	135.9	84%	0.835	75%	0.751	S	S	*	*			trans	-135.2	116	168.9	0	0	0	0	0	109.5
660	S	26.7	Very low	30.3	Very low	101 Å²	101	137.1 Å²	137.1	71%	0.706	75%	0.753	S	S	*	*			trans	-100.7	141.2	-172.5	-177.9	0	0	0	0	112
661	S	33.9	Very low	30.7	Very low	117 Å²	117	134.7 Å²	134.7	82%	0.818	75%	0.747	S	S	*	*			trans	-147.1	133.3	145.6	-166.7	0	0	0	0	108.9
662	N	28.5	Very low	31.6	Very low	127 Å²	127	131.5 Å²	131.5	68%	0.679	73%	0.73	S	S	*	*			trans	-83.8	157.7	171.4	-54.9	-38.1	0	0	0	109.2
663	D	32.7	Very low	32.1	Very low	146 Å²	146	132.9 Å²	132.9	78%	0.781	72%	0.724	S	S	*	*				-174.3	149.8	109	-101.4	-14.1	0	0	0	114.7
664	L	34.2	Very low	32.8	Very low	147 Å²	147	131 Å²	131	77%	0.77	72%	0.717	S	S	*	*			trans	59.8	75.5	151.3	-62.2	168.1	0	0	0	119.8
665	T	29	Very low	33.5	Very low	114 Å²	114	125.2 Å²	125.2	70%	0.699	69%	0.691	S	S	*	*				8.2	128.2	127.4	55.9	0	0	0	0	119.1
666	N	31.6	Very low	34.1	Very low	138 Å²	138	124.8 Å²	124.8	74%	0.738	68%	0.68	S	S	*	*				-172.6	121.6	119.9	-101.5	-47	0	0	0	114.4
667	N	31.6	Very low	34.7	Very low	146 Å²	146	129.6 Å²	129.6	78%	0.781	69%	0.686	S	S	*	*			trans	60.1	128.8	146.9	-57.5	-38.7	0	0	0	122.6
668	K	32.6	Very low	35.5	Very low	182 Å²	182	121 Å²	121	79%	0.791	66%	0.662	S	S	*	*			trans	98.5	75.9	135.5	-133.2	168.3	-169	174.9	0	119.9
669	D	31.3	Very low	35.8	Very low	137 Å²	137	121.4 Å²	121.4	73%	0.733	66%	0.656	S	S	*	*				45.3	88.3	115.3	-39	-28	0	0	0	118.2
670	D	43.3	Very low	36	Very low	130 Å²	130	124 Å²	124	70%	0.695	65%	0.65	S	S	*	*				-167.9	102.6	116	-110.6	-33.1	0	0	0	112.8	K341 D672	K341-D670 WeakPolarHBondContact CE-OD1 3.32Å; K341-D670 IonicContact NZ-OD1 2.82Å; K341-D670 PolarHBondContact NZ-OD1 3.49Å; D670-D672 PolarHBondContact O-N 2.73Å
671	I	38.7	Very low	36.7	Very low	120 Å²	120	126.7 Å²	126.7	62%	0.615	66%	0.657	S	S	*	*			trans	-74	94	173.6	-57.6	172	0	0	0	109	K341 I676	K341-I671 WeakPolarHBondContact CE-O 3.24Å; K341-I671 PolarHBondContact NZ-O 2.9Å; I671-I676 HydrophobicContact CG2-CD1 4.09Å
672	D	45.2	Very low	37.6	Very low	58 Å²	58	130.3 Å²	130.3	31%	0.31	65%	0.652	S	S	.	*			trans	-93.9	127.4	175.3	-178.2	26	0	0	0	111.5	D670 E674 A675 I676	D670-D672 PolarHBondContact O-N 2.73Å; D672-E674 VanDerWaalsContact C-N 3.31Å; D672-E674 PolarHBondContact O-N 2.83Å; D672-E674 PolarHBondContact OD1-N 2.8Å; D672-A675 HydrophobicContact CB-CB 3.94Å; D672-A675 WeakPolarHBondContact O-CB 3.24Å; D672-A675 PolarHBondContact O-N 2.88Å; D672-A675 PolarHBondContact OD2-N 3.12Å; D672-I676 WeakPolarHBondContact O-CG1 3.44Å; D672-I676 PolarHBondContact O-N 3.47Å; D672-I676 VanDerWaalsContact O-N 3.07Å
673	F	38.9	Very low	39.1	Very low	130 Å²	130	128.7 Å²	128.7	57%	0.57	64%	0.643	S	S	*	*	H	α-helix	trans	-73.8	-22.9	179.5	-76.1	-90.5	0	0	0	112.4	I676 W677	F673-I676 HydrophobicContact CD1-CD1 3.92Å; F673-I676 HydrophobicContact CE1-CD1 4.16Å; F673-I676 HydrophobicContact CG-CD1 4.36Å; F673-W677 VanDerWaalsContact O-CD1 3.28Å
674	E	43.1	Very low	41	Very low	132 Å²	132	126.5 Å²	126.5	62%	0.617	63%	0.628	S	S	*	*	H	α-helix	trans	-73.2	-29.4	169.1	-90.6	171.8	107.5	0	0	112.1	D672 S678	D672-E674 VanDerWaalsContact C-N 3.31Å; D672-E674 PolarHBondContact O-N 2.83Å; D672-E674 PolarHBondContact OD1-N 2.8Å; E674-S678 PolarHBondContact O-OG 3.37Å
675	A	42.1	Very low	43.3	Very low	30 Å²	30	126 Å²	126	25%	0.248	62%	0.616	C	S	.	*	H	α-helix	trans	-68.9	-43.1	169	0	0	0	0	0	112	D672 W677 S678 E679	D672-A675 HydrophobicContact CB-CB 3.94Å; D672-A675 WeakPolarHBondContact O-CB 3.24Å; D672-A675 PolarHBondContact O-N 2.88Å; D672-A675 PolarHBondContact OD2-N 3.12Å; A675-W677 PolarHBondContact O-N 3.42Å; A675-W677 VanDerWaalsContact O-N 3.11Å; A675-S678 CarbonylContact O-C 3.51Å; A675-S678 WeakPolarHBondContact O-CA 3.34Å; A675-S678 WeakPolarHBondContact O-CB 3.46Å; A675-S678 PolarHBondContact O-N 2.78Å; A675-E679 WeakPolarHBondContact O-CB 3.47Å; A675-E679 WeakPolarHBondContact O-CG 3.38Å; A675-E679 PolarHBondContact O-N 2.92Å
676	I	39.9	Very low	46	Very low	87 Å²	87	120.6 Å²	120.6	45%	0.446	58%	0.583	S	S	.	*	H	α-helix	trans	-55.7	-32.8	178.5	-69.1	170.4	0	0	0	112.6	I671 D672 F673 S678	I671-I676 HydrophobicContact CG2-CD1 4.09Å; D672-I676 WeakPolarHBondContact O-CG1 3.44Å; D672-I676 PolarHBondContact O-N 3.47Å; D672-I676 VanDerWaalsContact O-N 3.07Å; F673-I676 HydrophobicContact CD1-CD1 3.92Å; F673-I676 HydrophobicContact CE1-CD1 4.16Å; F673-I676 HydrophobicContact CG-CD1 4.36Å; I676-S678 VanDerWaalsContact C-N 3.32Å
677	W	39.6	Very low	48.6	Very low	225 Å²	225	116.5 Å²	116.5	85%	0.852	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-9.1	177.1	-71.2	43.3	0	0	0	113.1	F673 A675	F673-W677 VanDerWaalsContact O-CD1 3.28Å; A675-W677 PolarHBondContact O-N 3.42Å; A675-W677 VanDerWaalsContact O-N 3.11Å
678	S	44.8	Very low	51.3	Low	61 Å²	61	109.6 Å²	109.6	43%	0.427	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-25.7	177.5	-56	0	0	0	0	113.2	E674 A675 I676 N680	E674-S678 PolarHBondContact O-OG 3.37Å; A675-S678 CarbonylContact O-C 3.51Å; A675-S678 WeakPolarHBondContact O-CA 3.34Å; A675-S678 WeakPolarHBondContact O-CB 3.46Å; A675-S678 PolarHBondContact O-N 2.78Å; I676-S678 VanDerWaalsContact C-N 3.32Å; S678-N680 VanDerWaalsContact C-N 3.35Å; S678-N680 PolarHBondContact O-N 3.41Å
679	E	33.4	Very low	54	Low	141 Å²	141	103.9 Å²	103.9	66%	0.659	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	72.9	-171	-79.4	-171.1	144.7	0	0	113.9	A675	A675-E679 WeakPolarHBondContact O-CB 3.47Å; A675-E679 WeakPolarHBondContact O-CG 3.38Å; A675-E679 PolarHBondContact O-N 2.92Å
680	N	34.1	Very low	56.6	Low	134 Å²	134	102.4 Å²	102.4	72%	0.717	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-157.8	26.2	151.7	-112.1	-60	0	0	0	113.4	S678 R682	S678-N680 VanDerWaalsContact C-N 3.35Å; S678-N680 PolarHBondContact O-N 3.41Å; N680-R682 PolarHBondContact O-N 3.33Å
681	N	42.9	Very low	58.8	Low	158 Å²	158	101.1 Å²	101.1	85%	0.845	49%	0.485	S	S	*	.	S	Bend	trans	51.7	25.5	-178	-83.8	-6.8	0	0	0	114.8
682	R	52.6	Low	61.2	Low	193 Å²	193	96.4 Å²	96.4	73%	0.728	46%	0.46	S	S	*	.			trans	-100.4	-12.3	-164	-107.2	-178.5	170	168.6	-1.3	116.4	N680 N713	N680-R682 PolarHBondContact O-N 3.33Å; R682-N713 PolarHBondContact O-OD1 3.48Å
683	L	59	Low	63.4	Low	93 Å²	93	101.8 Å²	101.8	49%	0.487	48%	0.476	S	S	.	.			trans	-142.4	118.4	-173.5	-61.4	173.7	0	0	0	109.5	V709 L710 L711	L683-V709 HydrophobicContact CB-CG1 3.67Å; L683-V709 HydrophobicContact CD1-CG1 4.01Å; L683-V709 HydrophobicContact CD2-CG1 4.41Å; L683-V709 HydrophobicContact CG-CG1 4.25Å; L683-L710 WeakPolarHBondContact CA-O 3.12Å; L683-L710 WeakPolarHBondContact CD2-O 3.31Å; L683-L711 HydrophobicContact CD2-CD2 4.13Å
684	H	72.7	Confident	65.7	Low	101 Å²	101	97.2 Å²	97.2	47%	0.468	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	158.7	176.5	-70.4	-87.2	0	0	0	111.1	V709 L710	H684-V709 CarbonylContact O-C 3.6Å; H684-V709 WeakPolarHBondContact O-CA 3.31Å; H684-L710 HydrophobicContact CB-CB 4.09Å; H684-L710 HydrophobicContact CB-CD2 3.96Å; H684-L710 PolarHBondContact O-N 2.91Å
685	R	81.8	Confident	67.8	Low	136 Å²	136	99.1 Å²	99.1	51%	0.513	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	146.5	170.7	-76.2	-173.1	-77.2	-106.1	3.6	111.2	V708 V709 S741	R685-V708 WeakPolarHBondContact CA-O 3.46Å; R685-V709 HydrophobicContact CG-CG2 4.37Å; R685-S741 PolarHBondContact O-N 3.33Å; R685-S741 PolarHBondContact O-OG 3.02Å
686	A	86	Confident	69.9	Low	1 Å²	1	103.5 Å²	103.5	1%	0.008	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	153.3	171.7	0	0	0	0	0	111.2	V708 L710 L738 K739 L740	A686-V708 HydrophobicContact CB-CG2 4.33Å; A686-V708 PolarHBondContact N-O 2.97Å; A686-V708 PolarHBondContact O-N 3.3Å; A686-L710 HydrophobicContact CB-CD1 3.67Å; A686-L738 HydrophobicContact CB-CB 3.99Å; A686-L738 HydrophobicContact CB-CD1 4.39Å; A686-K739 VanDerWaalsContact CA-O 3.32Å; A686-K739 WeakPolarHBondContact CA-O 3.36Å; A686-L740 HydrophobicContact CB-CD2 4.41Å
687	T	87	Confident	72	Confident	51 Å²	51	106 Å²	106	31%	0.313	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	136.2	172.1	-52	0	0	0	0	109.4	E706 K739	T687-E706 CarbonylContact C-O 3.48Å; T687-E706 WeakPolarHBondContact CA-O 3.42Å; T687-K739 PolarHBondContact N-O 2.86Å; T687-K739 PolarHBondContact O-N 3.37Å
688	V	88.8	Confident	74.2	Confident	2 Å²	2	99.1 Å²	99.1	1%	0.012	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	131.5	177.2	180	0	0	0	0	110.3	H690 L702 V703 H705 E706 V708 L738	V688-H690 WeakPolarHBondContact CG1-O 3.4Å; V688-L702 HydrophobicContact CG1-CB 3.92Å; V688-L702 HydrophobicContact CG1-CD1 4.25Å; V688-L702 HydrophobicContact CG2-CB 4.09Å; V688-L702 HydrophobicContact CG2-CD1 3.92Å; V688-L702 HydrophobicContact CG2-CD2 4.06Å; V688-L702 HydrophobicContact CG2-CG 4.28Å; V688-V703 VanDerWaalsContact CB-O 3.24Å; V688-V703 WeakPolarHBondContact CB-O 3.36Å; V688-V703 VanDerWaalsContact CG1-O 3.25Å; V688-V703 WeakPolarHBondContact CG1-O 3.43Å; V688-H705 PolarHBondContact O-N 3.06Å; V688-E706 HydrophobicContact CB-CB 4.24Å; V688-E706 HydrophobicContact CG2-CB 3.88Å; V688-E706 HydrophobicContact CG2-CG 4.44Å; V688-E706 WeakPolarHBondContact CG2-O 3.43Å; V688-E706 PolarHBondContact N-O 3.06Å; V688-V708 HydrophobicContact CG2-CG1 4.07Å; V688-L738 HydrophobicContact CG2-CD2 3.95Å
689	V	88.8	Confident	76.5	Confident	62 Å²	62	97.1 Å²	97.1	38%	0.376	47%	0.471	S	S	.	.			trans	-102.9	-24.9	-176.1	-168	0	0	0	0	112.2	V704 Y737 K739	V689-V704 WeakPolarHBondContact O-CG1 3.49Å; V689-Y737 PolarHBondContact N-O 3.18Å; V689-K739 HydrophobicContact CG2-CB 3.52Å
690	H	85.8	Confident	79.1	Confident	105 Å²	105	91 Å²	91	49%	0.486	44%	0.442	S	S	.	.	S	Bend	trans	-143.2	143.3	-175.6	-63	-50.5	0	0	0	109.5	V688 F692 Y737	V688-H690 WeakPolarHBondContact CG1-O 3.4Å; H690-F692 PolarHBondContact O-N 3Å; H690-Y737 HydrophobicContact CB-CD1 3.46Å; H690-Y737 VanDerWaalsContact CB-CD1 3.46Å; H690-Y737 HydrophobicContact CB-CE1 3.8Å; H690-Y737 HydrophobicContact CB-CG 4.16Å
691	E	89.6	Confident	81.8	Confident	104 Å²	104	89.1 Å²	89.1	49%	0.486	43%	0.432	S	S	.	.			trans	-63.1	132.3	174.5	-171.9	-168.3	157.3	0	0	109.2	R693 L702 V704 Y737	E691-R693 IonicContact OE1-CZ 2.93Å; E691-R693 IonicContact OE1-NE 2.78Å; E691-R693 PolarHBondContact OE1-NE 3.1Å; E691-R693 IonicContact OE1-NH2 3.28Å; E691-R693 PolarHBondContact OE1-NH2 3.4Å; E691-L702 WeakPolarHBondContact CA-O 3.45Å; E691-V704 HydrophobicContact CB-CG2 4.12Å; E691-Y737 WeakPolarHBondContact O-CE1 3.36Å
692	F	89.7	Confident	83.9	Confident	20 Å²	20	81.8 Å²	81.8	9%	0.088	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	-127.5	129	176.4	176.8	-101.9	0	0	0	109.2	H690 E699 L700 D701 L702 W719 V733 P734 Y737	H690-F692 PolarHBondContact O-N 3Å; F692-E699 HydrophobicContact CE1-CB 4.24Å; F692-L700 WeakPolarHBondContact CD1-O 3.45Å; F692-L700 WeakPolarHBondContact CE1-O 3.34Å; F692-D701 CarbonylContact O-C 3.41Å; F692-D701 WeakPolarHBondContact O-CA 3.34Å; F692-L702 HydrophobicContact CB-CB 4.18Å; F692-L702 HydrophobicContact CB-CD1 4.29Å; F692-L702 HydrophobicContact CB-CG 4.46Å; F692-L702 PolarHBondContact N-O 3.34Å; F692-L702 VanDerWaalsContact N-O 3.14Å; F692-L702 PolarHBondContact O-N 3.35Å; F692-W719 HydrophobicContact CE1-CZ3 4.19Å; F692-W719 HydrophobicContact CE2-CH2 4.02Å; F692-W719 HydrophobicContact CE2-CZ3 4.19Å; F692-W719 AromaticContact CZ-CH2 3.67Å; F692-W719 HydrophobicContact CZ-CH2 3.67Å; F692-W719 AromaticContact CZ-CZ3 3.54Å; F692-W719 HydrophobicContact CZ-CZ3 3.54Å; F692-V733 HydrophobicContact CD1-CB 4.41Å; F692-V733 HydrophobicContact CD1-CG1 4.17Å; F692-V733 HydrophobicContact CE1-CG1 4.39Å; F692-P734 HydrophobicContact CD2-CG 3.86Å; F692-P734 HydrophobicContact CE2-CG 3.67Å; F692-P734 HydrophobicContact CZ-CG 4.24Å; F692-Y737 HydrophobicContact CB-CD1 3.7Å; F692-Y737 HydrophobicContact CB-CE1 4.06Å; F692-Y737 HydrophobicContact CB-CG 4.46Å; F692-Y737 HydrophobicContact CD2-CD1 4.33Å; F692-Y737 HydrophobicContact CD2-CE1 4.14Å; F692-Y737 HydrophobicContact CG-CD1 4.41Å
693	R	90.7	Very high	85.5	Confident	172 Å²	172	77.2 Å²	77.2	65%	0.649	39%	0.386	S	S	*	.			trans	-110.6	129.2	175.7	-64.3	-169.2	-169.5	-163.6	0.1	111.5	E691 D701	E691-R693 IonicContact OE1-CZ 2.93Å; E691-R693 IonicContact OE1-NE 2.78Å; E691-R693 PolarHBondContact OE1-NE 3.1Å; E691-R693 IonicContact OE1-NH2 3.28Å; E691-R693 PolarHBondContact OE1-NH2 3.4Å; R693-D701 WeakPolarHBondContact CA-OD1 3.46Å
694	A	88.1	Confident	86.8	Confident	34 Å²	34	75.6 Å²	75.6	28%	0.281	38%	0.38	S	S	.	.			trans	-63.8	134.5	179.7	0	0	0	0	0	111.4	E699 D701	A694-E699 HydrophobicContact CB-CB 3.73Å; A694-D701 PolarHBondContact N-OD1 3.34Å
695	K	86	Confident	87.2	Confident	172 Å²	172	78.1 Å²	78.1	75%	0.748	39%	0.392	S	S	*	.	S	Bend	trans	-113.8	-2	175.7	-62.7	179	-176.5	176	0	112.3	E699	K695-E699 WeakPolarHBondContact CA-OE2 3.37Å; K695-E699 PolarHBondContact N-OE2 3.41Å
696	K	85.6	Confident	87.4	Confident	122 Å²	122	72.3 Å²	72.3	53%	0.53	37%	0.37	S	S	.	.	S	Bend	trans	-142.8	154.6	178.3	-53.3	-170.5	-160.3	81.9	0	109.9	N698 E699	K696-N698 WeakPolarHBondContact CB-OD1 3.32Å; K696-N698 PolarHBondContact O-N 3.18Å; K696-E699 HydrophobicContact CB-CG 4.23Å; K696-E699 WeakPolarHBondContact CG-OE1 3.4Å; K696-E699 PolarHBondContact N-OE2 3.48Å; K696-E699 IonicContact NZ-OE1 3.82Å; K696-E699 PolarHBondContact NZ-OE1 3.32Å; K696-E699 PolarHBondContact O-N 3.42Å
697	S	83.9	Confident	87.3	Confident	138 Å²	138	75 Å²	75	97%	0.965	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	6	179.1	60.3	0	0	0	0	115.5
698	N	87.7	Confident	87.4	Confident	81 Å²	81	72.5 Å²	72.5	43%	0.433	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	8.3	174	70.2	-40.7	0	0	0	112.7	K696 L732	K696-N698 WeakPolarHBondContact CB-OD1 3.32Å; K696-N698 PolarHBondContact O-N 3.18Å; N698-L732 WeakPolarHBondContact O-CB 3.31Å; N698-L732 PolarHBondContact O-N 2.99Å
699	E	91.3	Very high	87.3	Confident	20 Å²	20	73.5 Å²	73.5	9%	0.093	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-102.7	153.1	172	-67.4	167.4	-170.6	0	0	108.8	F692 A694 K695 K696 W719 L732	F692-E699 HydrophobicContact CE1-CB 4.24Å; A694-E699 HydrophobicContact CB-CB 3.73Å; K695-E699 WeakPolarHBondContact CA-OE2 3.37Å; K695-E699 PolarHBondContact N-OE2 3.41Å; K696-E699 HydrophobicContact CB-CG 4.23Å; K696-E699 WeakPolarHBondContact CG-OE1 3.4Å; K696-E699 PolarHBondContact N-OE2 3.48Å; K696-E699 IonicContact NZ-OE1 3.82Å; K696-E699 PolarHBondContact NZ-OE1 3.32Å; K696-E699 PolarHBondContact O-N 3.42Å; E699-W719 HydrophobicContact CG-CH2 4.4Å; E699-W719 HydrophobicContact CG-CZ3 3.91Å; E699-L732 VanDerWaalsContact CA-O 3.27Å; E699-L732 WeakPolarHBondContact CA-O 3.38Å
700	L	89	Confident	87.3	Confident	11 Å²	11	70.8 Å²	70.8	6%	0.058	36%	0.361	C	S	.	.			trans	-112.9	136.4	-179.9	-175.7	65.9	0	0	0	109.9	F692 L702 V722 N729 L732 V733	F692-L700 WeakPolarHBondContact CD1-O 3.45Å; F692-L700 WeakPolarHBondContact CE1-O 3.34Å; L700-L702 HydrophobicContact CD2-CD2 4.2Å; L700-L702 HydrophobicContact CG-CD2 4.46Å; L700-V722 HydrophobicContact CD2-CG2 3.9Å; L700-N729 HydrophobicContact CD1-CB 3.65Å; L700-L732 PolarHBondContact N-O 3.21Å; L700-V733 HydrophobicContact CB-CG1 3.94Å
701	D	90.2	Very high	87	Confident	96 Å²	96	67.7 Å²	67.7	51%	0.513	35%	0.348	S	S	.	.			trans	-70	139.8	169.6	-67.3	-52.4	0	0	0	110.3	F692 R693 A694	F692-D701 CarbonylContact O-C 3.41Å; F692-D701 WeakPolarHBondContact O-CA 3.34Å; R693-D701 WeakPolarHBondContact CA-OD1 3.46Å; A694-D701 PolarHBondContact N-OD1 3.34Å
702	L	87	Confident	86.5	Confident	4 Å²	4	65.4 Å²	65.4	2%	0.021	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-133	135.9	-178.2	-63.7	179.5	0	0	0	112.4	V688 E691 F692 L700 E706 V708 V733 L738	V688-L702 HydrophobicContact CG1-CB 3.92Å; V688-L702 HydrophobicContact CG1-CD1 4.25Å; V688-L702 HydrophobicContact CG2-CB 4.09Å; V688-L702 HydrophobicContact CG2-CD1 3.92Å; V688-L702 HydrophobicContact CG2-CD2 4.06Å; V688-L702 HydrophobicContact CG2-CG 4.28Å; E691-L702 WeakPolarHBondContact CA-O 3.45Å; F692-L702 HydrophobicContact CB-CB 4.18Å; F692-L702 HydrophobicContact CB-CD1 4.29Å; F692-L702 HydrophobicContact CB-CG 4.46Å; F692-L702 PolarHBondContact N-O 3.34Å; F692-L702 VanDerWaalsContact N-O 3.14Å; F692-L702 PolarHBondContact O-N 3.35Å; L700-L702 HydrophobicContact CD2-CD2 4.2Å; L700-L702 HydrophobicContact CG-CD2 4.46Å; L702-E706 WeakPolarHBondContact CA-OE2 3.25Å; L702-V708 HydrophobicContact CD2-CG1 3.78Å; L702-V733 HydrophobicContact CD1-CB 3.72Å; L702-V733 HydrophobicContact CD1-CG1 3.61Å; L702-V733 HydrophobicContact CD1-CG2 4.02Å; L702-V733 HydrophobicContact CD2-CG1 4.19Å; L702-V733 HydrophobicContact CG-CB 4.49Å; L702-V733 HydrophobicContact CG-CG1 3.83Å; L702-L738 HydrophobicContact CD1-CD2 4.11Å
703	V	86.5	Confident	85.5	Confident	96 Å²	96	69 Å²	69	58%	0.582	36%	0.359	S	S	*	.			trans	-99	144.4	175.4	-175.5	0	0	0	0	110.7	V688 H705 E706	V688-V703 VanDerWaalsContact CB-O 3.24Å; V688-V703 WeakPolarHBondContact CB-O 3.36Å; V688-V703 VanDerWaalsContact CG1-O 3.25Å; V688-V703 WeakPolarHBondContact CG1-O 3.43Å; V703-H705 PolarHBondContact O-N 2.91Å; V703-E706 HydrophobicContact CB-CB 4.48Å; V703-E706 PolarHBondContact N-OE2 3.45Å; V703-E706 WeakPolarHBondContact O-CB 3.38Å; V703-E706 PolarHBondContact O-N 3.13Å; V703-E706 VanDerWaalsContact O-N 3.11Å
704	V	85.7	Confident	84.5	Confident	60 Å²	60	68.1 Å²	68.1	36%	0.364	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	138.4	178.7	-163.3	0	0	0	0	110.8	V689 E691 E706	V689-V704 WeakPolarHBondContact O-CG1 3.49Å; E691-V704 HydrophobicContact CB-CG2 4.12Å; V704-E706 PolarHBondContact O-N 3.02Å
705	H	81.2	Confident	84.1	Confident	153 Å²	153	69.3 Å²	69.3	71%	0.708	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	-1.2	-172.5	-48.5	99	0	0	0	116.4	V688 V703	V688-H705 PolarHBondContact O-N 3.06Å; V703-H705 PolarHBondContact O-N 2.91Å
706	E	86.1	Confident	83.5	Confident	14 Å²	14	68.2 Å²	68.2	7%	0.065	37%	0.365	C	S	.	.			trans	-56.4	145.4	168.7	179.9	174.1	-171.6	0	0	111.1	T687 V688 L702 V703 V704 V708 S724 I726	T687-E706 CarbonylContact C-O 3.48Å; T687-E706 WeakPolarHBondContact CA-O 3.42Å; V688-E706 HydrophobicContact CB-CB 4.24Å; V688-E706 HydrophobicContact CG2-CB 3.88Å; V688-E706 HydrophobicContact CG2-CG 4.44Å; V688-E706 WeakPolarHBondContact CG2-O 3.43Å; V688-E706 PolarHBondContact N-O 3.06Å; L702-E706 WeakPolarHBondContact CA-OE2 3.25Å; V703-E706 HydrophobicContact CB-CB 4.48Å; V703-E706 PolarHBondContact N-OE2 3.45Å; V703-E706 WeakPolarHBondContact O-CB 3.38Å; V703-E706 PolarHBondContact O-N 3.13Å; V703-E706 VanDerWaalsContact O-N 3.11Å; V704-E706 PolarHBondContact O-N 3.02Å; E706-V708 HydrophobicContact CG-CG1 4.08Å; E706-S724 WeakPolarHBondContact OE1-CB 3.16Å; E706-S724 PolarHBondContact OE1-OG 3.07Å; E706-I726 HydrophobicContact CB-CD1 4.28Å; E706-I726 HydrophobicContact CG-CD1 3.74Å; E706-I726 HydrophobicContact CG-CG1 4.2Å
707	T	85	Confident	83.1	Confident	57 Å²	57	70.4 Å²	70.4	35%	0.35	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	124.5	173.8	-60.7	0	0	0	0	109.8	L725	T707-L725 HydrophobicContact CG2-CD1 3.94Å; T707-L725 WeakPolarHBondContact O-CB 3.43Å; T707-L725 WeakPolarHBondContact O-CD1 3.45Å; T707-L725 WeakPolarHBondContact O-CG 3.37Å
708	V	88.6	Confident	83.1	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	153.3	-177.3	-58.7	0	0	0	0	111.8	R685 A686 V688 L702 E706 L710 V722 R723 L738	R685-V708 WeakPolarHBondContact CA-O 3.46Å; A686-V708 HydrophobicContact CB-CG2 4.33Å; A686-V708 PolarHBondContact N-O 2.97Å; A686-V708 PolarHBondContact O-N 3.3Å; V688-V708 HydrophobicContact CG2-CG1 4.07Å; L702-V708 HydrophobicContact CD2-CG1 3.78Å; E706-V708 HydrophobicContact CG-CG1 4.08Å; V708-L710 HydrophobicContact CG2-CD1 4.36Å; V708-V722 HydrophobicContact CB-CB 4.11Å; V708-V722 HydrophobicContact CB-CG2 4.33Å; V708-V722 HydrophobicContact CG2-CB 4.13Å; V708-V722 HydrophobicContact CG2-CG1 4.02Å; V708-V722 HydrophobicContact CG2-CG2 4.43Å; V708-R723 WeakPolarHBondContact CA-O 3.45Å; V708-L738 HydrophobicContact CG2-CD1 4.35Å; V708-L738 HydrophobicContact CG2-CD2 3.76Å
709	V	87.9	Confident	83.1	Confident	22 Å²	22	65.5 Å²	65.5	13%	0.133	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	121.7	177.9	179.9	0	0	0	0	109.2	L683 H684 R685 L711 V722 R723 L725	L683-V709 HydrophobicContact CB-CG1 3.67Å; L683-V709 HydrophobicContact CD1-CG1 4.01Å; L683-V709 HydrophobicContact CD2-CG1 4.41Å; L683-V709 HydrophobicContact CG-CG1 4.25Å; H684-V709 CarbonylContact O-C 3.6Å; H684-V709 WeakPolarHBondContact O-CA 3.31Å; R685-V709 HydrophobicContact CG-CG2 4.37Å; V709-L711 PolarHBondContact O-N 3.2Å; V709-V722 CarbonylContact O-C 3.58Å; V709-V722 WeakPolarHBondContact O-CA 3.3Å; V709-R723 PolarHBondContact N-O 3.35Å; V709-R723 PolarHBondContact O-N 2.92Å; V709-L725 HydrophobicContact CG2-CD1 4.19Å; V709-L725 HydrophobicContact CG2-CD2 3.76Å; V709-L725 HydrophobicContact CG2-CG 4.07Å
710	L	87	Confident	83.1	Confident	5 Å²	5	64.7 Å²	64.7	3%	0.026	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	118.6	178.7	-79.9	59.4	0	0	0	109.3	L683 H684 A686 V708 I720 V722 L738 L740	L683-L710 WeakPolarHBondContact CA-O 3.12Å; L683-L710 WeakPolarHBondContact CD2-O 3.31Å; H684-L710 HydrophobicContact CB-CB 4.09Å; H684-L710 HydrophobicContact CB-CD2 3.96Å; H684-L710 PolarHBondContact O-N 2.91Å; A686-L710 HydrophobicContact CB-CD1 3.67Å; V708-L710 HydrophobicContact CG2-CD1 4.36Å; L710-I720 HydrophobicContact CB-CD1 4.48Å; L710-I720 HydrophobicContact CD2-CD1 3.52Å; L710-I720 HydrophobicContact CD2-CG1 4.46Å; L710-I720 HydrophobicContact CG-CD1 3.88Å; L710-I720 HydrophobicContact CG-CG1 4.3Å; L710-V722 HydrophobicContact CD1-CG1 4.02Å; L710-V722 HydrophobicContact CG-CG1 4.16Å; L710-L738 HydrophobicContact CD1-CD1 4.33Å; L710-L740 HydrophobicContact CD2-CD2 3.5Å; L710-L740 VanDerWaalsContact CD2-CD2 3.5Å
711	L	81.1	Confident	83.1	Confident	41 Å²	41	67.3 Å²	67.3	22%	0.215	35%	0.354	C	S	.	.	S	Bend	trans	-85.2	-21.1	-179.8	-61.6	168	0	0	0	112.6	L683 V709 K721 R723 E730	L683-L711 HydrophobicContact CD2-CD2 4.13Å; V709-L711 PolarHBondContact O-N 3.2Å; L711-K721 HydrophobicContact CB-CB 4.34Å; L711-K721 HydrophobicContact CB-CD 4.26Å; L711-K721 HydrophobicContact CB-CG 4.46Å; L711-K721 HydrophobicContact CD1-CD 3.77Å; L711-K721 HydrophobicContact CD1-CG 3.96Å; L711-K721 PolarHBondContact N-O 2.8Å; L711-R723 HydrophobicContact CD1-CB 4.11Å; L711-R723 HydrophobicContact CD2-CB 4.14Å; L711-R723 HydrophobicContact CG-CB 4.21Å; L711-E730 HydrophobicContact CD1-CB 3.87Å; L711-E730 HydrophobicContact CD1-CG 3.73Å; L711-E730 VanDerWaalsContact CD1-OE1 3.28Å; L711-E730 WeakPolarHBondContact CD1-OE1 3.39Å
712	N	78.7	Confident	83.2	Confident	56 Å²	56	62.7 Å²	62.7	30%	0.299	33%	0.33	S	S	.	.	S	Bend	trans	-116.6	135.9	174.6	-64.9	15.2	0	0	0	108.9	E714	N712-E714 VanDerWaalsContact C-N 3.27Å; N712-E714 PolarHBondContact O-N 2.93Å
713	N	67.3	Low	83.3	Confident	94 Å²	94	67.7 Å²	67.7	50%	0.503	35%	0.348	S	S	.	.	S	Bend	trans	-75.9	-11.8	176.4	-75.2	-0.2	0	0	0	113.8	R682	R682-N713 PolarHBondContact O-OD1 3.48Å
714	E	71.4	Confident	83.2	Confident	154 Å²	154	63.2 Å²	63.2	72%	0.72	32%	0.321	S	S	*	.	S	Bend	trans	-132.4	137.1	-178.8	-63.7	-174.1	161.1	0	0	111.5	N712	N712-E714 VanDerWaalsContact C-N 3.27Å; N712-E714 PolarHBondContact O-N 2.93Å
715	P	79.1	Confident	82.9	Confident	59 Å²	59	65.3 Å²	65.3	38%	0.383	33%	0.33	S	S	.	.			trans	-79.6	129.7	174	31.8	-33.5	0	0	0	111.6	W719 I720 I735	P715-W719 CarbonylContact C-O 3.56Å; P715-W719 VanDerWaalsContact CA-O 3.23Å; P715-W719 WeakPolarHBondContact CA-O 3.05Å; P715-I720 HydrophobicContact CB-CB 4.26Å; P715-I720 HydrophobicContact CB-CD1 4.49Å; P715-I735 HydrophobicContact CB-CB 4.4Å; P715-I735 HydrophobicContact CB-CD1 3.96Å; P715-I735 HydrophobicContact CB-CG2 4.36Å; P715-I735 HydrophobicContact CG-CD1 3.83Å
716	Q	72.8	Confident	82.7	Confident	149 Å²	149	64 Å²	64	70%	0.696	33%	0.327	S	S	*	.	B	Isolated β-bridge	trans	-94.3	118.6	174.1	-66.4	-177.6	-6.3	0	0	109.5	G718 W719	Q716-G718 PolarHBondContact O-N 3Å; Q716-G718 VanDerWaalsContact O-N 3.14Å; Q716-W719 PolarHBondContact N-O 3.16Å; Q716-W719 PolarHBondContact O-N 2.87Å
717	N	78	Confident	82.2	Confident	168 Å²	168	67.6 Å²	67.6	90%	0.898	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	36.8	-175.4	-71.7	-0.6	0	0	0	114.4	W719	N717-W719 VanDerWaalsContact C-N 3.29Å; N717-W719 PolarHBondContact O-N 3.5Å
718	G	83.1	Confident	81.9	Confident	33 Å²	33	66.4 Å²	66.4	34%	0.34	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	-0.5	-179	0	0	0	0	0	115.2	Q716 P734 I735	Q716-G718 PolarHBondContact O-N 3Å; Q716-G718 VanDerWaalsContact O-N 3.14Å; G718-P734 WeakPolarHBondContact O-CA 3.18Å; G718-I735 WeakPolarHBondContact O-CG2 3.42Å; G718-I735 PolarHBondContact O-N 3.16Å
719	W	88.8	Confident	81.8	Confident	84 Å²	84	70.8 Å²	70.8	32%	0.318	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	142.7	172.1	-64.8	80.1	0	0	0	110.5	F692 E699 P715 Q716 N717 L732 V733 P734	F692-W719 HydrophobicContact CE1-CZ3 4.19Å; F692-W719 HydrophobicContact CE2-CH2 4.02Å; F692-W719 HydrophobicContact CE2-CZ3 4.19Å; F692-W719 AromaticContact CZ-CH2 3.67Å; F692-W719 HydrophobicContact CZ-CH2 3.67Å; F692-W719 AromaticContact CZ-CZ3 3.54Å; F692-W719 HydrophobicContact CZ-CZ3 3.54Å; E699-W719 HydrophobicContact CG-CH2 4.4Å; E699-W719 HydrophobicContact CG-CZ3 3.91Å; P715-W719 CarbonylContact C-O 3.56Å; P715-W719 VanDerWaalsContact CA-O 3.23Å; P715-W719 WeakPolarHBondContact CA-O 3.05Å; Q716-W719 PolarHBondContact N-O 3.16Å; Q716-W719 PolarHBondContact O-N 2.87Å; N717-W719 VanDerWaalsContact C-N 3.29Å; N717-W719 PolarHBondContact O-N 3.5Å; W719-L732 HydrophobicContact CE3-CB 4Å; W719-V733 WeakPolarHBondContact CA-O 3.29Å; W719-P734 HydrophobicContact CE3-CG 4.22Å; W719-P734 HydrophobicContact CH2-CG 3.99Å; W719-P734 HydrophobicContact CZ2-CG 4.37Å; W719-P734 HydrophobicContact CZ3-CG 3.9Å
720	I	90.7	Very high	81.9	Confident	3 Å²	3	73.4 Å²	73.4	2%	0.015	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	139.5	178.2	-168.1	156.7	0	0	0	109.7	L710 P715 V722 L732 V733 I735 L738	L710-I720 HydrophobicContact CB-CD1 4.48Å; L710-I720 HydrophobicContact CD2-CD1 3.52Å; L710-I720 HydrophobicContact CD2-CG1 4.46Å; L710-I720 HydrophobicContact CG-CD1 3.88Å; L710-I720 HydrophobicContact CG-CG1 4.3Å; P715-I720 HydrophobicContact CB-CB 4.26Å; P715-I720 HydrophobicContact CB-CD1 4.49Å; I720-V722 HydrophobicContact CG2-CG1 4.18Å; I720-L732 WeakPolarHBondContact O-CA 3.38Å; I720-V733 HydrophobicContact CG2-CG2 4.13Å; I720-V733 PolarHBondContact N-O 2.61Å; I720-V733 PolarHBondContact O-N 3.11Å; I720-I735 HydrophobicContact CD1-CD1 4.25Å; I720-I735 HydrophobicContact CG2-CB 4.15Å; I720-I735 HydrophobicContact CG2-CG1 4.36Å; I720-L738 HydrophobicContact CG2-CD1 3.68Å
721	K	89.7	Confident	82	Confident	65 Å²	65	73.3 Å²	73.3	28%	0.283	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	125.6	177.5	-158.4	-163.6	169.7	-166.9	0	109	L711 E730 G731 L732	L711-K721 HydrophobicContact CB-CB 4.34Å; L711-K721 HydrophobicContact CB-CD 4.26Å; L711-K721 HydrophobicContact CB-CG 4.46Å; L711-K721 HydrophobicContact CD1-CD 3.77Å; L711-K721 HydrophobicContact CD1-CG 3.96Å; L711-K721 PolarHBondContact N-O 2.8Å; K721-E730 WeakPolarHBondContact CE-OE2 3.25Å; K721-E730 IonicContact NZ-OE2 3.33Å; K721-E730 PolarHBondContact NZ-OE2 3.12Å; K721-G731 WeakPolarHBondContact CA-O 3.49Å; K721-L732 HydrophobicContact CB-CD2 3.9Å; K721-L732 HydrophobicContact CG-CD2 4.28Å
722	V	91	Very high	82.4	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	162.9	178.2	-58.5	0	0	0	0	111.2	L700 V708 V709 L710 I720 E730 G731 V733 L738	L700-V722 HydrophobicContact CD2-CG2 3.9Å; V708-V722 HydrophobicContact CB-CB 4.11Å; V708-V722 HydrophobicContact CB-CG2 4.33Å; V708-V722 HydrophobicContact CG2-CB 4.13Å; V708-V722 HydrophobicContact CG2-CG1 4.02Å; V708-V722 HydrophobicContact CG2-CG2 4.43Å; V709-V722 CarbonylContact O-C 3.58Å; V709-V722 WeakPolarHBondContact O-CA 3.3Å; L710-V722 HydrophobicContact CD1-CG1 4.02Å; L710-V722 HydrophobicContact CG-CG1 4.16Å; I720-V722 HydrophobicContact CG2-CG1 4.18Å; V722-E730 VanDerWaalsContact O-CA 3.28Å; V722-E730 WeakPolarHBondContact O-CA 3.49Å; V722-G731 PolarHBondContact N-O 2.88Å; V722-G731 PolarHBondContact O-N 2.81Å; V722-V733 HydrophobicContact CB-CG2 4.38Å; V722-V733 HydrophobicContact CG1-CG2 3.8Å; V722-V733 HydrophobicContact CG2-CB 4.39Å; V722-V733 HydrophobicContact CG2-CG1 3.83Å; V722-V733 HydrophobicContact CG2-CG2 3.63Å; V722-L738 HydrophobicContact CG1-CD1 3.89Å
723	R	89	Confident	83	Confident	108 Å²	108	71.2 Å²	71.2	41%	0.408	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.6	165.6	-176.5	-179	-78	-121.1	9.6	109.2	V708 V709 L711 G728 N729 E730	V708-R723 WeakPolarHBondContact CA-O 3.45Å; V709-R723 PolarHBondContact N-O 3.35Å; V709-R723 PolarHBondContact O-N 2.92Å; L711-R723 HydrophobicContact CD1-CB 4.11Å; L711-R723 HydrophobicContact CD2-CB 4.14Å; L711-R723 HydrophobicContact CG-CB 4.21Å; R723-G728 PolarHBondContact NH1-O 3.11Å; R723-N729 VanDerWaalsContact CA-O 3.25Å; R723-N729 WeakPolarHBondContact CA-O 3.41Å; R723-N729 WeakPolarHBondContact CG-O 3.49Å; R723-E730 HydrophobicContact CB-CG 4.12Å; R723-E730 HydrophobicContact CG-CG 4.09Å; R723-E730 IonicContact CZ-OE1 2.75Å; R723-E730 IonicContact NE-OE1 3.86Å; R723-E730 PolarHBondContact NE-OE1 3.02Å; R723-E730 IonicContact NH2-OE1 2.75Å; R723-E730 PolarHBondContact NH2-OE1 3.09Å
724	S	85.5	Confident	84.1	Confident	2 Å²	2	67.5 Å²	67.5	1%	0.014	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	147	171.2	167.8	0	0	0	0	110.9	E706 I726 D727 G728 N729	E706-S724 WeakPolarHBondContact OE1-CB 3.16Å; E706-S724 PolarHBondContact OE1-OG 3.07Å; S724-I726 PolarHBondContact OG-N 2.9Å; S724-D727 WeakPolarHBondContact CB-OD1 3.38Å; S724-D727 PolarHBondContact OG-N 3.25Å; S724-D727 PolarHBondContact OG-OD1 2.91Å; S724-G728 WeakPolarHBondContact O-CA 3.25Å; S724-G728 PolarHBondContact O-N 3.38Å; S724-N729 PolarHBondContact N-O 3.26Å
725	L	79.8	Confident	85	Confident	105 Å²	105	62.6 Å²	62.6	55%	0.55	33%	0.328	S	S	.	.	S	Bend	trans	-93.5	-0.6	170.7	-65	177.8	0	0	0	113.2	T707 V709	T707-L725 HydrophobicContact CG2-CD1 3.94Å; T707-L725 WeakPolarHBondContact O-CB 3.43Å; T707-L725 WeakPolarHBondContact O-CD1 3.45Å; T707-L725 WeakPolarHBondContact O-CG 3.37Å; V709-L725 HydrophobicContact CG2-CD1 4.19Å; V709-L725 HydrophobicContact CG2-CD2 3.76Å; V709-L725 HydrophobicContact CG2-CG 4.07Å
726	I	76.6	Confident	85.4	Confident	125 Å²	125	64.1 Å²	64.1	64%	0.641	34%	0.34	S	S	*	.	S	Bend	trans	-94.1	-52.9	178.9	-57.3	-179.1	0	0	0	110.2	E706 S724	E706-I726 HydrophobicContact CB-CD1 4.28Å; E706-I726 HydrophobicContact CG-CD1 3.74Å; E706-I726 HydrophobicContact CG-CG1 4.2Å; S724-I726 PolarHBondContact OG-N 2.9Å
727	D	75.5	Confident	86.2	Confident	89 Å²	89	60.6 Å²	60.6	48%	0.476	32%	0.321	S	S	.	.	S	Bend	trans	-106	-17.4	-177.1	71	5.2	0	0	0	114.1	S724 N729	S724-D727 WeakPolarHBondContact CB-OD1 3.38Å; S724-D727 PolarHBondContact OG-N 3.25Å; S724-D727 PolarHBondContact OG-OD1 2.91Å; D727-N729 VanDerWaalsContact C-N 3.31Å; D727-N729 VanDerWaalsContact OD1-CB 3.3Å; D727-N729 WeakPolarHBondContact OD1-CB 3.42Å; D727-N729 PolarHBondContact OD1-N 2.85Å; D727-N729 PolarHBondContact OD2-ND2 3.41Å
728	G	79.4	Confident	86.7	Confident	33 Å²	33	53.4 Å²	53.4	34%	0.34	28%	0.282	S	S	.	.			trans	80	1.4	-177.4	0	0	0	0	0	115.6	R723 S724	R723-G728 PolarHBondContact NH1-O 3.11Å; S724-G728 WeakPolarHBondContact O-CA 3.25Å; S724-G728 PolarHBondContact O-N 3.38Å
729	N	84.7	Confident	86.9	Confident	92 Å²	92	58.9 Å²	58.9	49%	0.492	30%	0.297	S	S	.	.			trans	-71.5	159.2	179.3	-72.3	-43	0	0	0	112.1	L700 R723 S724 D727	L700-N729 HydrophobicContact CD1-CB 3.65Å; R723-N729 VanDerWaalsContact CA-O 3.25Å; R723-N729 WeakPolarHBondContact CA-O 3.41Å; R723-N729 WeakPolarHBondContact CG-O 3.49Å; S724-N729 PolarHBondContact N-O 3.26Å; D727-N729 VanDerWaalsContact C-N 3.31Å; D727-N729 VanDerWaalsContact OD1-CB 3.3Å; D727-N729 WeakPolarHBondContact OD1-CB 3.42Å; D727-N729 PolarHBondContact OD1-N 2.85Å; D727-N729 PolarHBondContact OD2-ND2 3.41Å
730	E	89.8	Confident	86.5	Confident	76 Å²	76	59.1 Å²	59.1	36%	0.355	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.6	179.4	-52.7	-168.1	147.2	0	0	112.2	L711 K721 V722 R723	L711-E730 HydrophobicContact CD1-CB 3.87Å; L711-E730 HydrophobicContact CD1-CG 3.73Å; L711-E730 VanDerWaalsContact CD1-OE1 3.28Å; L711-E730 WeakPolarHBondContact CD1-OE1 3.39Å; K721-E730 WeakPolarHBondContact CE-OE2 3.25Å; K721-E730 IonicContact NZ-OE2 3.33Å; K721-E730 PolarHBondContact NZ-OE2 3.12Å; V722-E730 VanDerWaalsContact O-CA 3.28Å; V722-E730 WeakPolarHBondContact O-CA 3.49Å; R723-E730 HydrophobicContact CB-CG 4.12Å; R723-E730 HydrophobicContact CG-CG 4.09Å; R723-E730 IonicContact CZ-OE1 2.75Å; R723-E730 IonicContact NE-OE1 3.86Å; R723-E730 PolarHBondContact NE-OE1 3.02Å; R723-E730 IonicContact NH2-OE1 2.75Å; R723-E730 PolarHBondContact NH2-OE1 3.09Å
731	G	89.3	Confident	85.3	Confident	4 Å²	4	62.6 Å²	62.6	4%	0.041	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.5	177.8	174.7	0	0	0	0	0	113.8	K721 V722	K721-G731 WeakPolarHBondContact CA-O 3.49Å; V722-G731 PolarHBondContact N-O 2.88Å; V722-G731 PolarHBondContact O-N 2.81Å
732	L	90.4	Very high	83.1	Confident	52 Å²	52	64.8 Å²	64.8	27%	0.272	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	134.3	176.7	-65.3	175.9	0	0	0	111	N698 E699 L700 W719 I720 K721	N698-L732 WeakPolarHBondContact O-CB 3.31Å; N698-L732 PolarHBondContact O-N 2.99Å; E699-L732 VanDerWaalsContact CA-O 3.27Å; E699-L732 WeakPolarHBondContact CA-O 3.38Å; L700-L732 PolarHBondContact N-O 3.21Å; W719-L732 HydrophobicContact CE3-CB 4Å; I720-L732 WeakPolarHBondContact O-CA 3.38Å; K721-L732 HydrophobicContact CB-CD2 3.9Å; K721-L732 HydrophobicContact CG-CD2 4.28Å
733	V	91.2	Very high	80.4	Confident	0 Å²	0	73 Å²	73	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	152.8	175.9	-56.2	0	0	0	0	109.8	F692 L700 L702 W719 I720 V722 L738	F692-V733 HydrophobicContact CD1-CB 4.41Å; F692-V733 HydrophobicContact CD1-CG1 4.17Å; F692-V733 HydrophobicContact CE1-CG1 4.39Å; L700-V733 HydrophobicContact CB-CG1 3.94Å; L702-V733 HydrophobicContact CD1-CB 3.72Å; L702-V733 HydrophobicContact CD1-CG1 3.61Å; L702-V733 HydrophobicContact CD1-CG2 4.02Å; L702-V733 HydrophobicContact CD2-CG1 4.19Å; L702-V733 HydrophobicContact CG-CB 4.49Å; L702-V733 HydrophobicContact CG-CG1 3.83Å; W719-V733 WeakPolarHBondContact CA-O 3.29Å; I720-V733 HydrophobicContact CG2-CG2 4.13Å; I720-V733 PolarHBondContact N-O 2.61Å; I720-V733 PolarHBondContact O-N 3.11Å; V722-V733 HydrophobicContact CB-CG2 4.38Å; V722-V733 HydrophobicContact CG1-CG2 3.8Å; V722-V733 HydrophobicContact CG2-CB 4.39Å; V722-V733 HydrophobicContact CG2-CG1 3.83Å; V722-V733 HydrophobicContact CG2-CG2 3.63Å; V733-L738 HydrophobicContact CG2-CD1 3.81Å; V733-L738 HydrophobicContact CG2-CD2 4.42Å; V733-L738 HydrophobicContact CG2-CG 4.25Å
734	P	90.8	Very high	77.7	Confident	17 Å²	17	75.6 Å²	75.6	11%	0.11	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	130.7	179.5	-8.6	24.5	0	0	0	110.3	F692 G718 W719 S736 Y737	F692-P734 HydrophobicContact CD2-CG 3.86Å; F692-P734 HydrophobicContact CE2-CG 3.67Å; F692-P734 HydrophobicContact CZ-CG 4.24Å; G718-P734 WeakPolarHBondContact O-CA 3.18Å; W719-P734 HydrophobicContact CE3-CG 4.22Å; W719-P734 HydrophobicContact CH2-CG 3.99Å; W719-P734 HydrophobicContact CZ2-CG 4.37Å; W719-P734 HydrophobicContact CZ3-CG 3.9Å; P734-S736 PolarHBondContact O-N 2.91Å; P734-S736 VanDerWaalsContact O-N 3.1Å; P734-Y737 HydrophobicContact CB-CD2 3.76Å; P734-Y737 HydrophobicContact CB-CE2 4.19Å; P734-Y737 HydrophobicContact CG-CD2 3.87Å; P734-Y737 HydrophobicContact CG-CE2 4.07Å; P734-Y737 HydrophobicContact CG-CG 4.49Å; P734-Y737 WeakPolarHBondContact O-CB 3.27Å; P734-Y737 PolarHBondContact O-N 2.86Å
735	I	88.9	Confident	75.1	Confident	51 Å²	51	80.8 Å²	80.8	26%	0.262	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-62.6	-23	-176	-164.7	169.9	0	0	0	113	P715 G718 I720 Y737 L738	P715-I735 HydrophobicContact CB-CB 4.4Å; P715-I735 HydrophobicContact CB-CD1 3.96Å; P715-I735 HydrophobicContact CB-CG2 4.36Å; P715-I735 HydrophobicContact CG-CD1 3.83Å; G718-I735 WeakPolarHBondContact O-CG2 3.42Å; G718-I735 PolarHBondContact O-N 3.16Å; I720-I735 HydrophobicContact CD1-CD1 4.25Å; I720-I735 HydrophobicContact CG2-CB 4.15Å; I720-I735 HydrophobicContact CG2-CG1 4.36Å; I735-Y737 PolarHBondContact O-N 3.49Å; I735-L738 PolarHBondContact O-N 3.18Å; I735-L738 VanDerWaalsContact O-N 3.09Å
736	S	88.1	Confident	72.8	Confident	90 Å²	90	81.8 Å²	81.8	63%	0.629	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-68.8	-11.1	174.2	60.1	0	0	0	0	114.4	P734	P734-S736 PolarHBondContact O-N 2.91Å; P734-S736 VanDerWaalsContact O-N 3.1Å
737	Y	89.8	Confident	70.7	Confident	76 Å²	76	84.4 Å²	84.4	30%	0.298	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-92.5	-1.1	174	-71.9	-120.9	0	0	0	111.4	V689 H690 E691 F692 P734 I735	V689-Y737 PolarHBondContact N-O 3.18Å; H690-Y737 HydrophobicContact CB-CD1 3.46Å; H690-Y737 VanDerWaalsContact CB-CD1 3.46Å; H690-Y737 HydrophobicContact CB-CE1 3.8Å; H690-Y737 HydrophobicContact CB-CG 4.16Å; E691-Y737 WeakPolarHBondContact O-CE1 3.36Å; F692-Y737 HydrophobicContact CB-CD1 3.7Å; F692-Y737 HydrophobicContact CB-CE1 4.06Å; F692-Y737 HydrophobicContact CB-CG 4.46Å; F692-Y737 HydrophobicContact CD2-CD1 4.33Å; F692-Y737 HydrophobicContact CD2-CE1 4.14Å; F692-Y737 HydrophobicContact CG-CD1 4.41Å; P734-Y737 HydrophobicContact CB-CD2 3.76Å; P734-Y737 HydrophobicContact CB-CE2 4.19Å; P734-Y737 HydrophobicContact CG-CD2 3.87Å; P734-Y737 HydrophobicContact CG-CE2 4.07Å; P734-Y737 HydrophobicContact CG-CG 4.49Å; P734-Y737 WeakPolarHBondContact O-CB 3.27Å; P734-Y737 PolarHBondContact O-N 2.86Å; I735-Y737 PolarHBondContact O-N 3.49Å
738	L	89.3	Confident	68.6	Low	16 Å²	16	87 Å²	87	8%	0.084	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.2	-174.9	-60.1	-176.5	0	0	0	112.4	A686 V688 L702 V708 L710 I720 V722 V733 I735	A686-L738 HydrophobicContact CB-CB 3.99Å; A686-L738 HydrophobicContact CB-CD1 4.39Å; V688-L738 HydrophobicContact CG2-CD2 3.95Å; L702-L738 HydrophobicContact CD1-CD2 4.11Å; V708-L738 HydrophobicContact CG2-CD1 4.35Å; V708-L738 HydrophobicContact CG2-CD2 3.76Å; L710-L738 HydrophobicContact CD1-CD1 4.33Å; I720-L738 HydrophobicContact CG2-CD1 3.68Å; V722-L738 HydrophobicContact CG1-CD1 3.89Å; V733-L738 HydrophobicContact CG2-CD1 3.81Å; V733-L738 HydrophobicContact CG2-CD2 4.42Å; V733-L738 HydrophobicContact CG2-CG 4.25Å; I735-L738 PolarHBondContact O-N 3.18Å; I735-L738 VanDerWaalsContact O-N 3.09Å
739	K	87.1	Confident	66.3	Low	149 Å²	149	92.4 Å²	92.4	65%	0.648	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	102.2	169.4	-177.2	175.1	-178.5	-178.6	0	109.1	A686 T687 V689 S741	A686-K739 VanDerWaalsContact CA-O 3.32Å; A686-K739 WeakPolarHBondContact CA-O 3.36Å; T687-K739 PolarHBondContact N-O 2.86Å; T687-K739 PolarHBondContact O-N 3.37Å; V689-K739 HydrophobicContact CG2-CB 3.52Å; K739-S741 PolarHBondContact O-N 2.9Å
740	L	80.1	Confident	63.7	Low	89 Å²	89	92.3 Å²	92.3	47%	0.466	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	132.6	173.8	-70.6	165.7	0	0	0	110.8	A686 L710 S742	A686-L740 HydrophobicContact CB-CD2 4.41Å; L710-L740 HydrophobicContact CD2-CD2 3.5Å; L710-L740 VanDerWaalsContact CD2-CD2 3.5Å; L740-S742 PolarHBondContact O-N 3.32Å
741	S	64.5	Low	60.9	Low	76 Å²	76	97.1 Å²	97.1	53%	0.531	52%	0.521	S	S	.	.			trans	-83.2	93.7	176.3	63.2	0	0	0	0	111	R685 K739	R685-S741 PolarHBondContact O-N 3.33Å; R685-S741 PolarHBondContact O-OG 3.02Å; K739-S741 PolarHBondContact O-N 2.9Å
742	S	43.8	Very low	58	Low	111 Å²	111	103 Å²	103	78%	0.776	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-71.8	134.5	171.9	-68.1	0	0	0	0	111.7	L740	L740-S742 PolarHBondContact O-N 3.32Å
743	M	34.1	Very low	55	Low	173 Å²	173	107 Å²	107	85%	0.852	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-95.3	117.6	168.4	-70.1	179.2	66.5	0	0	110.5
744	D	32.7	Very low	52.2	Low	162 Å²	162	113.5 Å²	113.5	87%	0.866	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-81.3	132	168.2	-83.4	-52.3	0	0	0	111
745	V	31.6	Very low	49.2	Very low	111 Å²	111	119.7 Å²	119.7	67%	0.673	64%	0.636	S	S	*	*			trans	-126.3	110.8	-179.8	-179.7	0	0	0	0	110.5
746	P	30.1	Very low	46.4	Very low	125 Å²	125	120.9 Å²	120.9	81%	0.812	66%	0.661	S	S	*	*			trans	-84.5	129.2	178.4	31.4	-32.4	0	0	0	113.1
747	K	33.3	Very low	43.7	Very low	181 Å²	181	124.3 Å²	124.3	79%	0.787	67%	0.672	S	S	*	*			trans	-127.5	162.9	153.4	-53.3	-174.9	-179.6	-177.1	0	106.6
748	H	30.7	Very low	41	Very low	143 Å²	143	126.5 Å²	126.5	66%	0.662	70%	0.699	S	S	*	*			cis	-152.4	156.5	17.1	-140.3	-98.2	0	0	0	105
749	N	32.7	Very low	38.3	Very low	146 Å²	146	130.1 Å²	130.1	78%	0.781	73%	0.725	S	S	*	*				178.3	153.1	83.7	-102	-42.2	0	0	0	112.9
750	S	29.5	Very low	35.7	Very low	90 Å²	90	130.7 Å²	130.7	63%	0.629	73%	0.728	S	S	*	*			trans	-87.7	152.2	172.2	57.6	0	0	0	0	113.3
751	K	30.4	Very low	33.4	Very low	177 Å²	177	134.3 Å²	134.3	77%	0.77	74%	0.742	S	S	*	*				178.4	128	114.6	-101.5	178.1	172.2	-176.4	0	115.9
752	I	28.4	Very low	31.7	Very low	127 Å²	127	134.7 Å²	134.7	65%	0.651	75%	0.745	S	S	*	*				78	114.7	129.9	-75.1	171.9	0	0	0	120.8
753	L	28.5	Very low	31.1	Very low	136 Å²	136	136.9 Å²	136.9	71%	0.712	75%	0.746	S	S	*	*			trans	68.8	153.9	143.9	-87.3	51	0	0	0	119.4
754	M	31.2	Very low	31	Very low	138 Å²	138	133.8 Å²	133.8	68%	0.68	74%	0.741	S	S	*	*			cis	-140.2	153.9	2.8	-110.6	-50	-171.1	0	0	110.8
755	N	29.1	Very low	30.9	Very low	146 Å²	146	132.2 Å²	132.2	78%	0.781	74%	0.738	S	S	*	*			trans	22.1	145.5	147.9	-57.4	-5.6	0	0	0	123
756	G	30.3	Very low	31.1	Very low	77 Å²	77	131.3 Å²	131.3	79%	0.794	73%	0.734	S	S	*	*			trans	176.3	45.4	164.7	0	0	0	0	0	117.3
757	D	30	Very low	31.1	Very low	162 Å²	162	132.7 Å²	132.7	87%	0.866	73%	0.73	S	S	*	*			trans	-51.3	138.8	176.8	-80.9	-61.4	0	0	0	114.4
758	S	34.5	Very low	31.3	Very low	122 Å²	122	130.8 Å²	130.8	85%	0.853	73%	0.733	S	S	*	*				-168.4	123.1	122.9	-82.8	0	0	0	0	113.4
759	S	31.9	Very low	31.3	Very low	91 Å²	91	130.8 Å²	130.8	64%	0.636	74%	0.738	S	S	*	*			trans	-72.5	175	161.6	68.3	0	0	0	0	111.2
760	K	32.5	Very low	31.5	Very low	161 Å²	161	127.3 Å²	127.3	70%	0.7	74%	0.736	S	S	*	*			cis	-179.9	160.3	40.8	-135.9	161	-158.2	163.1	0	109.6
761	Q	31.9	Very low	31.8	Very low	166 Å²	166	127.6 Å²	127.6	78%	0.776	74%	0.738	S	S	*	*			trans	64.9	157	147.7	-79.4	157.6	-25.4	0	0	118.9
762	S	29.2	Very low	32.2	Very low	83 Å²	83	125.7 Å²	125.7	58%	0.58	74%	0.737	S	S	*	*			cis	-179.3	179.2	-21.9	53.7	0	0	0	0	110.6
763	I	30.1	Very low	32.5	Very low	158 Å²	158	126.2 Å²	126.2	81%	0.81	74%	0.74	S	S	*	*			trans	75.7	139.2	160.3	-63.1	162.2	0	0	0	113.3
764	S	33	Very low	32.7	Very low	107 Å²	107	125.9 Å²	125.9	75%	0.748	74%	0.738	S	S	*	*			cis	-150.5	160.3	3.7	37.1	0	0	0	0	113.9
765	T	29.9	Very low	32.9	Very low	129 Å²	129	126.6 Å²	126.6	79%	0.791	74%	0.739	S	S	*	*			trans	-88.2	-161.5	162.9	56.6	0	0	0	0	110.8
766	P	36	Very low	33	Very low	92 Å²	92	124.3 Å²	124.3	60%	0.597	73%	0.734	S	S	*	*			cis	-136.4	-171	-23.5	25.1	0.6	0	0	0	114.9
767	H	30.1	Very low	33	Very low	155 Å²	155	129.5 Å²	129.5	72%	0.718	74%	0.735	S	S	*	*			trans	63.7	136.6	151.5	-61.8	-58.9	0	0	0	123.3	D769	H767-D769 IonicContact ND1-OD2 3.66Å
768	T	36.4	Very low	32.8	Very low	141 Å²	141	128.7 Å²	128.7	87%	0.865	73%	0.73	S	S	*	*				-158.5	137.5	111.7	-65.8	0	0	0	0	109.3
769	D	31.6	Very low	32.6	Very low	143 Å²	143	129.1 Å²	129.1	77%	0.765	73%	0.728	S	S	*	*			trans	-99.2	162.3	-177.2	-69.3	-78.6	0	0	0	113.8	H767	H767-D769 IonicContact ND1-OD2 3.66Å
770	G	37.5	Very low	32.2	Very low	72 Å²	72	130.4 Å²	130.4	74%	0.742	73%	0.732	S	S	*	*			trans	150.5	128.3	154.6	0	0	0	0	0	116.4
771	S	36.2	Very low	31.9	Very low	96 Å²	96	128 Å²	128	67%	0.671	73%	0.734	S	S	*	*			cis	176.7	157.9	-22.9	44.9	0	0	0	0	109
772	N	37.1	Very low	31.8	Very low	137 Å²	137	124.7 Å²	124.7	73%	0.733	73%	0.729	S	S	*	*			trans	72.5	158.8	155.4	-57.4	-26	0	0	0	118
773	I	34.5	Very low	31.8	Very low	139 Å²	139	129.6 Å²	129.6	71%	0.713	74%	0.743	S	S	*	*			cis	-169.7	150.4	-15.7	-103.9	167.6	0	0	0	106.4
774	L	33.7	Very low	31.9	Very low	128 Å²	128	128.8 Å²	128.8	67%	0.67	74%	0.74	S	S	*	*			cis	-163.3	167.6	-28.4	-105.4	176	0	0	0	109.6
775	H	34.1	Very low	31.8	Very low	154 Å²	154	128.2 Å²	128.2	71%	0.713	74%	0.737	S	S	*	*			trans	59.3	103.5	147.4	-70.5	-37.9	0	0	0	124.9
776	S	31.7	Very low	32.1	Very low	97 Å²	97	128.3 Å²	128.3	68%	0.678	73%	0.732	S	S	*	*				86.7	126.7	100.8	80.4	0	0	0	0	125.2
777	K	30.1	Very low	32	Very low	186 Å²	186	129.9 Å²	129.9	81%	0.809	73%	0.732	S	S	*	*				64.3	127.2	129.4	-78.6	-165	169.2	-176.2	0	123.5
778	L	27.6	Very low	32.2	Very low	146 Å²	146	130.1 Å²	130.1	76%	0.764	73%	0.73	S	S	*	*			trans	46.2	133.2	136.8	-82.4	80.9	0	0	0	120.6
779	T	28.7	Very low	31.9	Very low	130 Å²	130	129.6 Å²	129.6	80%	0.798	72%	0.722	S	S	*	*				175.2	164.4	105	-68.4	0	0	0	0	110.6
780	T	24.4	Very low	31.7	Very low	118 Å²	118	127.1 Å²	127.1	72%	0.724	72%	0.717	S	S	*	*			trans	-76.8	-175.3	-171.1	49.5	0	0	0	0	116.3
781	C	27	Very low	31.3	Very low	112 Å²	112	132.7 Å²	132.7	76%	0.757	72%	0.72	S	S	*	*			trans	86.1	158	165.1	-54.9	0	0	0	0	116.3
782	S	27.8	Very low	31	Very low	96 Å²	96	137.7 Å²	137.7	67%	0.671	73%	0.73	S	S	*	*			cis	179	138.5	-41.9	-97.7	0	0	0	0	107.8
783	E	29.5	Very low	30.9	Very low	185 Å²	185	136.7 Å²	136.7	86%	0.864	73%	0.731	S	S	*	*			trans	66.1	157.4	153.2	-66.5	173.6	136.5	0	0	121.6
784	D	32.4	Very low	30.6	Very low	141 Å²	141	137 Å²	137	75%	0.754	73%	0.734	S	S	*	*			trans	65.4	105.6	164.7	-85.5	-45.3	0	0	0	124.2
785	S	31.4	Very low	30.4	Very low	96 Å²	96	138.4 Å²	138.4	67%	0.671	74%	0.737	S	S	*	*				54.2	119.7	113.3	-56.3	0	0	0	0	120.5
786	D	35.7	Very low	30.4	Very low	130 Å²	130	137.1 Å²	137.1	70%	0.695	74%	0.74	S	S	*	*				-164.8	159.6	85.2	-135.3	-12.1	0	0	0	116.9
787	Q	33.6	Very low	30.3	Very low	126 Å²	126	139 Å²	139	59%	0.589	74%	0.743	S	S	*	*			trans	3.1	146.6	147.7	-74.1	165.7	75.3	0	0	120.1
788	K	34.4	Very low	30.2	Very low	159 Å²	159	134.8 Å²	134.8	69%	0.691	74%	0.736	S	S	*	*			cis	-176.4	157.4	36.6	-128.6	158.4	-176	147.7	0	114.4
789	N	31.3	Very low	30.5	Very low	130 Å²	130	133.7 Å²	133.7	70%	0.695	74%	0.736	S	S	*	*			trans	53.8	95.6	143.2	-69.4	-2.7	0	0	0	124.4
790	S	26.9	Very low	30.4	Very low	92 Å²	92	136.3 Å²	136.3	64%	0.643	74%	0.736	S	S	*	*				62.6	142.3	104.1	86.1	0	0	0	0	124.7
791	K	29.4	Very low	30.8	Very low	189 Å²	189	139 Å²	139	82%	0.822	75%	0.745	S	S	*	*			trans	88.5	109.2	141.6	-76.9	166.9	-179.2	171.4	0	122
792	K	30.1	Very low	30.8	Very low	200 Å²	200	138.1 Å²	138.1	87%	0.87	74%	0.74	S	S	*	*			trans	89.5	141.8	132.9	-76.4	-166.5	168.8	-167.1	0	120.6
793	P	34.1	Very low	31	Very low	116 Å²	116	140.9 Å²	140.9	75%	0.753	75%	0.747	S	S	*	*			trans	-100.3	166.4	175.7	40.9	-35.9	0	0	0	113.8
794	N	29.6	Very low	31.3	Very low	147 Å²	147	137.5 Å²	137.5	79%	0.786	74%	0.741	S	S	*	*			trans	-166.4	148.8	153.8	-100	-1.8	0	0	0	105.3
795	Q	28.9	Very low	31.7	Very low	156 Å²	156	135.7 Å²	135.7	73%	0.729	74%	0.737	S	S	*	*			cis	123.7	107.5	20.6	179.1	-174.3	30.5	0	0	107.5
796	V	34.5	Very low	31.7	Very low	128 Å²	128	139.1 Å²	139.1	78%	0.776	74%	0.742	S	S	*	*			trans	-161.3	119	155.6	-96.4	0	0	0	0	104.4
797	D	28.9	Very low	31.9	Very low	137 Å²	137	140.7 Å²	140.7	73%	0.733	75%	0.749	S	S	*	*				66.5	142.6	82	-80.3	-47.7	0	0	0	114.2
798	S	28.3	Very low	31.9	Very low	96 Å²	96	141.8 Å²	141.8	67%	0.671	76%	0.759	S	S	*	*			cis	178.9	168.6	-21	-106.3	0	0	0	0	107.9
799	T	33.6	Very low	32.3	Very low	123 Å²	123	138.4 Å²	138.4	76%	0.755	75%	0.753	S	S	*	*			trans	111.2	106.7	153.3	-44.8	0	0	0	0	119
800	F	27.1	Very low	32.5	Very low	186 Å²	186	138 Å²	138	82%	0.816	76%	0.758	S	S	*	*			trans	14.1	140.3	140.2	-63.6	-95.6	0	0	0	122.5
801	L	32.1	Very low	32.7	Very low	173 Å²	173	144.6 Å²	144.6	91%	0.906	77%	0.768	S	S	*	*				-155.7	166.8	108.4	-104.4	168.4	0	0	0	111
802	S	26.9	Very low	32.9	Very low	94 Å²	94	143.7 Å²	143.7	66%	0.657	77%	0.772	S	S	*	*			trans	-147.1	159.7	-157.9	56.7	0	0	0	0	116.6
803	L	32.5	Very low	32.8	Very low	155 Å²	155	141.1 Å²	141.1	81%	0.812	77%	0.767	S	S	*	*			trans	-3.9	157.6	149.5	-93.7	81.4	0	0	0	119.5
804	P	34.7	Very low	32.7	Very low	114 Å²	114	141.6 Å²	141.6	74%	0.74	77%	0.771	S	S	*	*				-150.1	-143.1	56.1	46.5	-22.6	0	0	0	115.9
805	P	41.9	Very low	32.5	Very low	103 Å²	103	140 Å²	140	67%	0.669	77%	0.767	S	S	*	*				-120.1	-141	-128.5	29.4	-0.2	0	0	0	112.4
806	E	31.8	Very low	32.7	Very low	167 Å²	167	139.5 Å²	139.5	78%	0.78	77%	0.769	S	S	*	*			cis	-168.3	164.6	13.4	-156.7	172.6	91.2	0	0	111.9
807	I	38.9	Very low	32.6	Very low	164 Å²	164	142 Å²	142	84%	0.841	77%	0.773	S	S	*	*			trans	145.1	138.8	147.8	-74.2	161.4	0	0	0	111.9
808	D	33.7	Very low	32.6	Very low	148 Å²	148	144.1 Å²	144.1	79%	0.791	78%	0.782	S	S	*	*			trans	-144.3	-156.4	-154.4	-156.6	24.1	0	0	0	113.8
809	P	42.9	Very low	32.7	Very low	88 Å²	88	145 Å²	145	57%	0.571	79%	0.788	S	S	*	*				-131	-174.8	-117.6	44.4	-25	0	0	0	116.3
810	P	36.6	Very low	32.4	Very low	122 Å²	122	144 Å²	144	79%	0.792	79%	0.786	S	S	*	*			trans	-145.1	99.1	139.6	34.6	-16.3	0	0	0	117.3
811	R	31.3	Very low	32.5	Very low	230 Å²	230	143.7 Å²	143.7	87%	0.868	79%	0.787	S	S	*	*				41.9	130.4	129.4	-59.2	175.2	-180	170.1	0.8	122.3
812	L	32.6	Very low	32.3	Very low	170 Å²	170	144.6 Å²	144.6	89%	0.89	79%	0.787	S	S	*	*				-148.8	166.2	122.4	-111.1	171	0	0	0	109.9
813	L	28.2	Very low	32.3	Very low	147 Å²	147	148.8 Å²	148.8	77%	0.77	80%	0.798	S	S	*	*			trans	-115.8	142.4	-173.6	-62.9	89.5	0	0	0	112.4
814	C	30.9	Very low	32.4	Very low	125 Å²	125	146.1 Å²	146.1	85%	0.845	79%	0.792	S	S	*	*				-170.3	150.2	114.1	-95.3	0	0	0	0	114.1
815	T	27.3	Very low	32.8	Very low	115 Å²	115	148.7 Å²	148.7	71%	0.706	80%	0.795	S	S	*	*			trans	-61.4	164.7	156.7	39.7	0	0	0	0	111.9
816	D	31	Very low	33.1	Very low	144 Å²	144	148.3 Å²	148.3	77%	0.77	79%	0.792	S	S	*	*			cis	-156.7	-167.7	9.8	-117.5	-26.8	0	0	0	110.1
817	E	32.9	Very low	34.3	Very low	180 Å²	180	141.6 Å²	141.6	84%	0.841	76%	0.763	S	S	*	*			trans	87.1	123	164.8	-54.8	-160.9	169.3	0	0	119.3
818	I	30.2	Very low	35.4	Very low	183 Å²	183	140.6 Å²	140.6	94%	0.938	76%	0.758	S	S	*	*			trans	-113.3	112	162.4	-63.3	172.8	0	0	0	106.4
819	S	30.1	Very low	37.2	Very low	114 Å²	114	137.8 Å²	137.8	80%	0.797	75%	0.751	S	S	*	*			trans	-133.7	145.9	170.6	-168.7	0	0	0	0	110.1
820	S	26.6	Very low	38.8	Very low	101 Å²	101	134.9 Å²	134.9	71%	0.706	74%	0.737	S	S	*	*			trans	-101	141.5	-168	55.7	0	0	0	0	113.1
821	H	30.3	Very low	41.2	Very low	180 Å²	180	130.7 Å²	130.7	83%	0.833	71%	0.71	S	S	*	*			trans	57.8	78.6	166.1	-80.9	-80.2	0	0	0	116.6
822	E	26.2	Very low	44.1	Very low	193 Å²	193	119.9 Å²	119.9	90%	0.902	67%	0.669	S	S	*	*			trans	-75.7	122.2	143.9	-74	-162.9	123.4	0	0	109.4	S824	E822-S824 PolarHBondContact O-N 3.31Å
823	M	28.4	Very low	47	Very low	181 Å²	181	111.8 Å²	111.8	89%	0.892	63%	0.627	S	S	*	*			trans	-80.5	109.9	158	-77	173.7	60.8	0	0	107.5
824	S	33.4	Very low	50.1	Low	99 Å²	99	109 Å²	109	69%	0.692	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-59.2	144	-173.2	54.2	0	0	0	0	113.1	E822	E822-S824 PolarHBondContact O-N 3.31Å
825	Q	42.7	Very low	53	Low	169 Å²	169	103.3 Å²	103.3	79%	0.79	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-53.5	147.2	165.4	-67.8	-176.5	-7.1	0	0	110.8
826	P	49.6	Very low	55.9	Low	95 Å²	95	102.3 Å²	102.3	62%	0.617	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-60	135.5	175.6	25.4	-33.9	0	0	0	110.3	L828	P826-L828 PolarHBondContact O-N 3.43Å
827	P	57	Low	58.6	Low	26 Å²	26	99.7 Å²	99.7	17%	0.169	54%	0.542	C	S	.	.	P	Polyproline II helix	trans	-58.4	130.2	-178.3	20.6	-30.5	0	0	0	111.5	S831 V833 V857 W897	P827-S831 WeakPolarHBondContact CB-OG 3.3Å; P827-V833 HydrophobicContact CB-CG1 4.25Å; P827-V833 HydrophobicContact CG-CG1 4.1Å; P827-V857 HydrophobicContact CB-CG2 4.39Å; P827-V857 HydrophobicContact CG-CG2 4.33Å; P827-W897 HydrophobicContact CG-CE3 4Å; P827-W897 HydrophobicContact CG-CH2 3.42Å; P827-W897 VanDerWaalsContact CG-CH2 3.42Å; P827-W897 HydrophobicContact CG-CZ2 4.16Å; P827-W897 HydrophobicContact CG-CZ3 3.31Å
828	L	60.9	Low	61.5	Low	142 Å²	142	95.7 Å²	95.7	74%	0.743	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-65.2	143.3	178.8	-66.1	167.2	0	0	0	110.8	P826 G830 S831	P826-L828 PolarHBondContact O-N 3.43Å; L828-G830 PolarHBondContact O-N 3.22Å; L828-S831 VanDerWaalsContact O-CB 3.29Å; L828-S831 WeakPolarHBondContact O-CB 3.3Å; L828-S831 PolarHBondContact O-N 2.74Å; L828-S831 PolarHBondContact O-OG 3.15Å
829	S	71.7	Confident	64.5	Low	90 Å²	90	88.9 Å²	88.9	63%	0.629	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	124.8	171.8	-65.9	0	0	0	0	111.6	I858	S829-I858 WeakPolarHBondContact CB-O 3.49Å; S829-I858 PolarHBondContact OG-O 3.06Å
830	G	78	Confident	67.4	Low	27 Å²	27	93 Å²	93	28%	0.278	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.6	-7.4	-176	0	0	0	0	0	115.5	L828 V857	L828-G830 PolarHBondContact O-N 3.22Å; G830-V857 PolarHBondContact N-O 3.09Å
831	S	86.4	Confident	70.3	Confident	33 Å²	33	88.7 Å²	88.7	23%	0.231	46%	0.461	C	S	.	.			trans	-77.8	166.5	171.6	63.6	0	0	0	0	112.6	P827 L828 V857	P827-S831 WeakPolarHBondContact CB-OG 3.3Å; L828-S831 VanDerWaalsContact O-CB 3.29Å; L828-S831 WeakPolarHBondContact O-CB 3.3Å; L828-S831 PolarHBondContact O-N 2.74Å; L828-S831 PolarHBondContact O-OG 3.15Å; S831-V857 PolarHBondContact O-N 2.71Å
832	F	92.1	Very high	72.8	Confident	4 Å²	4	83.8 Å²	83.8	2%	0.018	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	141.5	178.8	-59.1	-94.8	0	0	0	111.4	V854 I855 R856 L902 L930 W938 M939 W942	F832-V854 HydrophobicContact CB-CG1 4.19Å; F832-V854 HydrophobicContact CD1-CG1 4.15Å; F832-I855 WeakPolarHBondContact CA-O 3.23Å; F832-R856 HydrophobicContact CD1-CB 3.78Å; F832-R856 HydrophobicContact CD1-CG 4.07Å; F832-R856 HydrophobicContact CE1-CB 3.74Å; F832-R856 HydrophobicContact CE1-CG 3.8Å; F832-R856 HydrophobicContact CZ-CG 4.18Å; F832-L902 HydrophobicContact CD1-CD1 3.97Å; F832-L902 HydrophobicContact CE1-CD1 3.95Å; F832-L930 HydrophobicContact CB-CD1 3.59Å; F832-L930 PolarHBondContact O-N 3.1Å; F832-L930 VanDerWaalsContact O-N 3.12Å; F832-W938 HydrophobicContact CD1-CB 3.84Å; F832-W938 HydrophobicContact CD2-CB 4.03Å; F832-W938 HydrophobicContact CE1-CB 3.87Å; F832-W938 HydrophobicContact CE2-CB 4.08Å; F832-W938 HydrophobicContact CG-CB 3.91Å; F832-W938 HydrophobicContact CZ-CB 3.99Å; F832-M939 HydrophobicContact CE2-CB 4.48Å; F832-M939 HydrophobicContact CE2-CG 3.73Å; F832-M939 HydrophobicContact CZ-CG 4.28Å; F832-W942 HydrophobicContact CE1-CB 4.39Å; F832-W942 HydrophobicContact CZ-CB 4.01Å; F832-W942 HydrophobicContact CZ-CG 4.45Å
833	V	93.3	Very high	75.6	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	151.7	175.2	-61.8	0	0	0	0	110.3	P827 V854 I855 V857 F922 V927 Q928	P827-V833 HydrophobicContact CB-CG1 4.25Å; P827-V833 HydrophobicContact CG-CG1 4.1Å; V833-V854 WeakPolarHBondContact O-CA 3.47Å; V833-I855 HydrophobicContact CG2-CB 3.97Å; V833-I855 PolarHBondContact N-O 3.22Å; V833-I855 PolarHBondContact O-N 2.85Å; V833-V857 HydrophobicContact CB-CG2 4.44Å; V833-V857 HydrophobicContact CG1-CG2 3.68Å; V833-V857 HydrophobicContact CG2-CG2 3.94Å; V833-F922 HydrophobicContact CG2-CE2 4.25Å; V833-F922 HydrophobicContact CG2-CZ 4.24Å; V833-V927 HydrophobicContact CB-CB 3.94Å; V833-V927 HydrophobicContact CB-CG2 3.98Å; V833-V927 HydrophobicContact CG1-CG2 4.28Å; V833-V927 HydrophobicContact CG2-CB 3.9Å; V833-V927 HydrophobicContact CG2-CG1 4.07Å; V833-V927 HydrophobicContact CG2-CG2 3.91Å; V833-Q928 CarbonylContact C-O 3.32Å; V833-Q928 VanDerWaalsContact CA-O 3.31Å; V833-Q928 WeakPolarHBondContact CA-O 3.43Å
834	R	92.7	Very high	78.1	Confident	89 Å²	89	77 Å²	77	34%	0.336	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	135.8	175.8	-172.2	-173.7	-64.5	-81	9.9	109.9	G852 A853 V854 V927 Q928 L930	R834-G852 PolarHBondContact NH1-O 2.79Å; R834-A853 CarbonylContact C-O 3.46Å; R834-A853 VanDerWaalsContact CA-O 3.29Å; R834-A853 WeakPolarHBondContact CA-O 3.39Å; R834-A853 WeakPolarHBondContact CG-O 3.29Å; R834-V854 HydrophobicContact CG-CG2 4.49Å; R834-V927 CarbonylContact O-C 3.52Å; R834-V927 VanDerWaalsContact O-CA 3.25Å; R834-V927 WeakPolarHBondContact O-CA 3.45Å; R834-Q928 PolarHBondContact N-O 3.47Å; R834-Q928 PolarHBondContact O-N 3.25Å; R834-L930 HydrophobicContact CB-CD1 4.41Å; R834-L930 HydrophobicContact CB-CD2 4.23Å; R834-L930 HydrophobicContact CB-CG 4.19Å
835	S	92.1	Very high	80.7	Confident	4 Å²	4	75.9 Å²	75.9	3%	0.028	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	137.2	174.3	52.8	0	0	0	0	112.3	F849 K850 G852 A853	S835-F849 VanDerWaalsContact CB-CD2 3.44Å; S835-F849 VanDerWaalsContact CB-CE2 3.47Å; S835-K850 PolarHBondContact OG-O 3.32Å; S835-G852 PolarHBondContact O-N 3.44Å; S835-G852 PolarHBondContact OG-N 3.47Å; S835-G852 VanDerWaalsContact OG-N 3.11Å; S835-A853 PolarHBondContact N-O 3.02Å; S835-A853 PolarHBondContact OG-N 2.84Å; S835-A853 PolarHBondContact OG-O 3.31Å
836	L	88.7	Confident	83.1	Confident	95 Å²	95	69.1 Å²	69.1	50%	0.497	38%	0.377	S	S	.	.	S	Bend	trans	-88.5	-28.9	177.7	-66.2	173.9	0	0	0	112.6	L926 Q928	L836-L926 PolarHBondContact N-O 3.36Å; L836-Q928 HydrophobicContact CD1-CB 4.4Å; L836-Q928 HydrophobicContact CD2-CB 3.94Å; L836-Q928 HydrophobicContact CG-CB 4.25Å
837	I	88.4	Confident	85	Confident	88 Å²	88	64.8 Å²	64.8	45%	0.451	35%	0.349	S	S	.	.	S	Bend	trans	-136.3	169.9	179.7	64.8	168.3	0	0	0	111.3	A851 L926	I837-A851 PolarHBondContact O-N 3.44Å; I837-L926 HydrophobicContact CD1-CD1 4.31Å; I837-L926 HydrophobicContact CD1-CD2 3.75Å; I837-L926 HydrophobicContact CG1-CB 4.46Å; I837-L926 HydrophobicContact CG1-CD1 4.46Å; I837-L926 HydrophobicContact CG1-CD2 4.15Å
838	D	92.6	Very high	86.7	Confident	96 Å²	96	66.8 Å²	66.8	51%	0.513	36%	0.363	S	S	.	.			trans	-69.1	136.7	164.7	-79.1	26.2	0	0	0	109.7	K850 A851	D838-K850 VanDerWaalsContact OD1-CA 3.24Å; D838-K850 WeakPolarHBondContact OD1-CA 3.34Å; D838-K850 WeakPolarHBondContact OD1-CB 3.37Å; D838-A851 PolarHBondContact OD1-N 2.97Å
839	F	92.7	Very high	88.2	Confident	40 Å²	40	60.6 Å²	60.6	18%	0.175	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-135.4	138.2	175.7	178.8	-107.5	0	0	0	109.9	L847 S848 F849 W896 P923 L926	F839-L847 WeakPolarHBondContact CD1-O 3.37Å; F839-L847 VanDerWaalsContact CE1-O 3.23Å; F839-L847 WeakPolarHBondContact CE1-O 3.18Å; F839-S848 WeakPolarHBondContact O-CA 3.2Å; F839-F849 HydrophobicContact CB-CD2 4.02Å; F839-F849 HydrophobicContact CB-CE1 4.1Å; F839-F849 HydrophobicContact CB-CE2 3.52Å; F839-F849 HydrophobicContact CB-CZ 3.57Å; F839-F849 HydrophobicContact CD1-CD1 4.29Å; F839-F849 AromaticContact CD1-CE1 3.61Å; F839-F849 HydrophobicContact CD1-CE1 3.61Å; F839-F849 AromaticContact CD1-CZ 3.77Å; F839-F849 HydrophobicContact CD1-CZ 3.77Å; F839-F849 HydrophobicContact CG-CE1 4.25Å; F839-F849 HydrophobicContact CG-CE2 4.4Å; F839-F849 AromaticContact CG-CZ 3.96Å; F839-F849 HydrophobicContact CG-CZ 3.96Å; F839-F849 PolarHBondContact N-O 2.94Å; F839-F849 PolarHBondContact O-N 3.48Å; F839-W896 HydrophobicContact CZ-CH2 4.07Å; F839-W896 HydrophobicContact CZ-CZ3 4.18Å; F839-P923 HydrophobicContact CD2-CG 4.49Å; F839-P923 HydrophobicContact CE1-CG 4.43Å; F839-P923 HydrophobicContact CE2-CG 3.84Å; F839-P923 HydrophobicContact CZ-CG 3.82Å; F839-L926 HydrophobicContact CB-CD1 4.03Å; F839-L926 HydrophobicContact CD2-CD1 3.43Å; F839-L926 VanDerWaalsContact CD2-CD1 3.43Å; F839-L926 HydrophobicContact CE2-CD1 4.12Å; F839-L926 HydrophobicContact CG-CD1 3.85Å
840	R	92.6	Very high	89.2	Confident	200 Å²	200	63.4 Å²	63.4	76%	0.755	33%	0.331	S	S	*	.			trans	-127.8	113.6	-177.8	-176	178.7	-173	-86.9	1.2	108.7
841	G	87.3	Confident	89.7	Confident	12 Å²	12	64.6 Å²	64.6	12%	0.124	34%	0.339	C	S	.	.			trans	-58	138	174.7	0	0	0	0	0	111.9	E846 S848	G841-E846 WeakPolarHBondContact CA-OE2 3.46Å; G841-S848 PolarHBondContact N-OG 3.09Å
842	T	83	Confident	89.9	Confident	77 Å²	77	64.7 Å²	64.7	47%	0.472	35%	0.345	S	S	.	.	S	Bend	trans	-94.1	-31.8	169.4	28.2	0	0	0	0	112.1	N395 E846	N395-T842 PolarHBondContact ND2-O 3.37Å; N395-T842 PolarHBondContact OD1-O 3.47Å; T842-E846 WeakPolarHBondContact CA-OE2 3.33Å; T842-E846 PolarHBondContact N-OE2 3.33Å; T842-E846 PolarHBondContact OG1-OE2 3.35Å
843	N	83.4	Confident	89.9	Confident	79 Å²	79	65.7 Å²	65.7	42%	0.422	35%	0.354	S	S	.	.	S	Bend	trans	-104.7	165.9	178.6	-61.1	-57.5	0	0	0	112.3	N395 D845 E846	N395-N843 PolarHBondContact ND2-OD1 3.31Å; N395-N843 VanDerWaalsContact ND2-OD1 3.08Å; N843-D845 VanDerWaalsContact C-N 3.3Å; N843-D845 WeakPolarHBondContact CB-OD1 3.4Å; N843-D845 PolarHBondContact O-N 2.91Å; N843-E846 HydrophobicContact CB-CG 4.03Å; N843-E846 PolarHBondContact N-OE2 3.29Å; N843-E846 PolarHBondContact ND2-OE1 3.02Å; N843-E846 PolarHBondContact O-N 3.47Å
844	T	82.5	Confident	89.9	Confident	152 Å²	152	65.9 Å²	65.9	93%	0.933	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-16.9	-172.9	47.3	0	0	0	0	114.3
845	D	87.3	Confident	89.9	Confident	76 Å²	76	61.6 Å²	61.6	41%	0.406	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-14.3	173	61.3	-40.1	0	0	0	113.2	N843 G920 V921	N843-D845 VanDerWaalsContact C-N 3.3Å; N843-D845 WeakPolarHBondContact CB-OD1 3.4Å; N843-D845 PolarHBondContact O-N 2.91Å; D845-G920 CarbonylContact O-C 3.47Å; D845-G920 WeakPolarHBondContact O-CA 3.25Å; D845-V921 HydrophobicContact CB-CG2 4.46Å; D845-V921 PolarHBondContact O-N 3.25Å; D845-V921 WeakPolarHBondContact OD2-CG2 3.27Å
846	E	92	Very high	89.9	Confident	26 Å²	26	64.2 Å²	64.2	12%	0.121	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-81.6	127.1	-176.8	-70.3	170.5	-174.3	0	0	112.7	G841 T842 N843 W896 V921	G841-E846 WeakPolarHBondContact CA-OE2 3.46Å; T842-E846 WeakPolarHBondContact CA-OE2 3.33Å; T842-E846 PolarHBondContact N-OE2 3.33Å; T842-E846 PolarHBondContact OG1-OE2 3.35Å; N843-E846 HydrophobicContact CB-CG 4.03Å; N843-E846 PolarHBondContact N-OE2 3.29Å; N843-E846 PolarHBondContact ND2-OE1 3.02Å; N843-E846 PolarHBondContact O-N 3.47Å; E846-W896 HydrophobicContact CG-CH2 4.21Å; E846-W896 HydrophobicContact CG-CZ3 3.92Å; E846-V921 WeakPolarHBondContact CA-O 3.41Å; E846-V921 HydrophobicContact CG-CG2 3.9Å
847	L	91.3	Very high	90.1	Very high	5 Å²	5	59.8 Å²	59.8	3%	0.026	33%	0.325	C	S	.	.			trans	-67	139.3	175.7	-68.6	174.4	0	0	0	111.4	F839 F849 I855 L901 I918 V921 F922	F839-L847 WeakPolarHBondContact CD1-O 3.37Å; F839-L847 VanDerWaalsContact CE1-O 3.23Å; F839-L847 WeakPolarHBondContact CE1-O 3.18Å; L847-F849 HydrophobicContact CB-CD1 3.94Å; L847-F849 HydrophobicContact CB-CE1 4.17Å; L847-I855 HydrophobicContact CD1-CD1 4.31Å; L847-I855 HydrophobicContact CD1-CG2 4.17Å; L847-L901 HydrophobicContact CD1-CB 4.19Å; L847-L901 HydrophobicContact CD2-CB 3.98Å; L847-I918 HydrophobicContact CD2-CB 4.47Å; L847-I918 HydrophobicContact CD2-CG2 4.12Å; L847-I918 WeakPolarHBondContact CD2-O 3.47Å; L847-V921 PolarHBondContact N-O 3.39Å; L847-F922 HydrophobicContact CD1-CB 4.49Å; L847-F922 HydrophobicContact CD1-CD1 3.9Å
848	S	92.6	Very high	90	Very high	67 Å²	67	57.5 Å²	57.5	47%	0.469	31%	0.313	S	S	.	.			trans	-110.1	124.2	168	-65.6	0	0	0	0	110.3	F839 G841 L901	F839-S848 WeakPolarHBondContact O-CA 3.2Å; G841-S848 PolarHBondContact N-OG 3.09Å; S848-L901 WeakPolarHBondContact O-CD2 3.43Å
849	F	92.7	Very high	89.6	Confident	12 Å²	12	53.9 Å²	53.9	5%	0.053	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-147.9	158.2	-175	52.6	-99	0	0	0	112.7	S835 F839 L847 A853 I855 L901 F922	S835-F849 VanDerWaalsContact CB-CD2 3.44Å; S835-F849 VanDerWaalsContact CB-CE2 3.47Å; F839-F849 HydrophobicContact CB-CD2 4.02Å; F839-F849 HydrophobicContact CB-CE1 4.1Å; F839-F849 HydrophobicContact CB-CE2 3.52Å; F839-F849 HydrophobicContact CB-CZ 3.57Å; F839-F849 HydrophobicContact CD1-CD1 4.29Å; F839-F849 AromaticContact CD1-CE1 3.61Å; F839-F849 HydrophobicContact CD1-CE1 3.61Å; F839-F849 AromaticContact CD1-CZ 3.77Å; F839-F849 HydrophobicContact CD1-CZ 3.77Å; F839-F849 HydrophobicContact CG-CE1 4.25Å; F839-F849 HydrophobicContact CG-CE2 4.4Å; F839-F849 AromaticContact CG-CZ 3.96Å; F839-F849 HydrophobicContact CG-CZ 3.96Å; F839-F849 PolarHBondContact N-O 2.94Å; F839-F849 PolarHBondContact O-N 3.48Å; L847-F849 HydrophobicContact CB-CD1 3.94Å; L847-F849 HydrophobicContact CB-CE1 4.17Å; F849-A853 HydrophobicContact CB-CB 4.14Å; F849-I855 HydrophobicContact CD1-CD1 3.81Å; F849-I855 HydrophobicContact CE1-CD1 3.71Å; F849-I855 HydrophobicContact CG-CD1 4.32Å; F849-I855 HydrophobicContact CZ-CD1 4.13Å; F849-L901 HydrophobicContact CB-CD1 3.88Å; F849-L901 HydrophobicContact CB-CD2 4.13Å; F849-F922 HydrophobicContact CE1-CB 3.78Å; F849-F922 HydrophobicContact CZ-CB 4.25Å
850	K	90.8	Very high	88.9	Confident	149 Å²	149	58.1 Å²	58.1	65%	0.648	31%	0.313	S	S	*	.			trans	-94.9	162.5	172.7	-64.3	-157.4	172.3	-155.7	0	111.8	S835 D838 A853	S835-K850 PolarHBondContact OG-O 3.32Å; D838-K850 VanDerWaalsContact OD1-CA 3.24Å; D838-K850 WeakPolarHBondContact OD1-CA 3.34Å; D838-K850 WeakPolarHBondContact OD1-CB 3.37Å; K850-A853 WeakPolarHBondContact O-CB 3.26Å; K850-A853 PolarHBondContact O-N 2.55Å
851	A	90.1	Very high	87.8	Confident	53 Å²	53	49.6 Å²	49.6	44%	0.438	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	138.3	170	0	0	0	0	0	111.2	I837 D838 A853	I837-A851 PolarHBondContact O-N 3.44Å; D838-A851 PolarHBondContact OD1-N 2.97Å; A851-A853 VanDerWaalsContact C-N 3.28Å; A851-A853 PolarHBondContact O-N 2.82Å
852	G	89.4	Confident	86.4	Confident	34 Å²	34	53.7 Å²	53.7	35%	0.351	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	-8.2	-178.5	0	0	0	0	0	115.9	R834 S835	R834-G852 PolarHBondContact NH1-O 2.79Å; S835-G852 PolarHBondContact O-N 3.44Å; S835-G852 PolarHBondContact OG-N 3.47Å; S835-G852 VanDerWaalsContact OG-N 3.11Å
853	A	92	Very high	84.7	Confident	26 Å²	26	53.3 Å²	53.3	22%	0.215	31%	0.305	C	S	.	.			trans	-61.5	160.3	170.1	0	0	0	0	0	111.7	R834 S835 F849 K850 A851 L901	R834-A853 CarbonylContact C-O 3.46Å; R834-A853 VanDerWaalsContact CA-O 3.29Å; R834-A853 WeakPolarHBondContact CA-O 3.39Å; R834-A853 WeakPolarHBondContact CG-O 3.29Å; S835-A853 PolarHBondContact N-O 3.02Å; S835-A853 PolarHBondContact OG-N 2.84Å; S835-A853 PolarHBondContact OG-O 3.31Å; F849-A853 HydrophobicContact CB-CB 4.14Å; K850-A853 WeakPolarHBondContact O-CB 3.26Å; K850-A853 PolarHBondContact O-N 2.55Å; A851-A853 VanDerWaalsContact C-N 3.28Å; A851-A853 PolarHBondContact O-N 2.82Å; A853-L901 HydrophobicContact CB-CD1 4.13Å
854	V	93.1	Very high	83.3	Confident	3 Å²	3	56.9 Å²	56.9	2%	0.018	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.4	-175.1	178.6	0	0	0	0	110.5	F832 V833 R834 L902 L930 W938	F832-V854 HydrophobicContact CB-CG1 4.19Å; F832-V854 HydrophobicContact CD1-CG1 4.15Å; V833-V854 WeakPolarHBondContact O-CA 3.47Å; R834-V854 HydrophobicContact CG-CG2 4.49Å; V854-L902 HydrophobicContact CB-CD1 4.3Å; V854-L902 HydrophobicContact CG1-CD1 3.84Å; V854-L902 PolarHBondContact O-N 3.41Å; V854-L930 HydrophobicContact CG1-CD1 3.62Å; V854-L930 HydrophobicContact CG2-CD1 4.11Å; V854-W938 HydrophobicContact CB-CD2 4.35Å; V854-W938 HydrophobicContact CB-CH2 4.3Å; V854-W938 HydrophobicContact CB-CZ2 4.01Å; V854-W938 HydrophobicContact CG1-CD2 3.92Å; V854-W938 HydrophobicContact CG1-CE3 4.36Å; V854-W938 HydrophobicContact CG1-CG 4.13Å; V854-W938 HydrophobicContact CG1-CZ2 4.46Å; V854-W938 HydrophobicContact CG2-CD2 4.49Å; V854-W938 HydrophobicContact CG2-CH2 4.36Å; V854-W938 HydrophobicContact CG2-CZ2 3.65Å
855	I	93.3	Very high	81.2	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136.4	-177.8	-52.2	172.6	0	0	0	107.8	F832 V833 L847 F849 D900 L901 F922 V927	F832-I855 WeakPolarHBondContact CA-O 3.23Å; V833-I855 HydrophobicContact CG2-CB 3.97Å; V833-I855 PolarHBondContact N-O 3.22Å; V833-I855 PolarHBondContact O-N 2.85Å; L847-I855 HydrophobicContact CD1-CD1 4.31Å; L847-I855 HydrophobicContact CD1-CG2 4.17Å; F849-I855 HydrophobicContact CD1-CD1 3.81Å; F849-I855 HydrophobicContact CE1-CD1 3.71Å; F849-I855 HydrophobicContact CG-CD1 4.32Å; F849-I855 HydrophobicContact CZ-CD1 4.13Å; I855-D900 CarbonylContact C-O 3.59Å; I855-D900 WeakPolarHBondContact CA-O 3.36Å; I855-L901 HydrophobicContact CG1-CD1 3.92Å; I855-F922 HydrophobicContact CD1-CD1 4.34Å; I855-F922 HydrophobicContact CD1-CD2 4.22Å; I855-F922 HydrophobicContact CD1-CE2 4.46Å; I855-F922 HydrophobicContact CD1-CG 4.16Å; I855-F922 HydrophobicContact CG2-CD1 4.23Å; I855-F922 HydrophobicContact CG2-CE1 3.73Å; I855-F922 HydrophobicContact CG2-CZ 4.08Å; I855-V927 HydrophobicContact CD1-CG1 4.47Å
856	R	92.9	Very high	79.1	Confident	58 Å²	58	58.8 Å²	58.8	22%	0.219	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	119.8	171.8	-174.3	178.6	167.1	-84.6	-8.2	109.3	F832 G899 D900 W942	F832-R856 HydrophobicContact CD1-CB 3.78Å; F832-R856 HydrophobicContact CD1-CG 4.07Å; F832-R856 HydrophobicContact CE1-CB 3.74Å; F832-R856 HydrophobicContact CE1-CG 3.8Å; F832-R856 HydrophobicContact CZ-CG 4.18Å; R856-G899 CarbonylContact O-C 3.45Å; R856-G899 WeakPolarHBondContact O-CA 3.39Å; R856-D900 HydrophobicContact CB-CB 4.29Å; R856-D900 PolarHBondContact N-O 3.5Å; R856-D900 IonicContact NH1-OD2 3.15Å; R856-D900 PolarHBondContact NH1-OD2 2.83Å; R856-D900 PolarHBondContact O-N 2.71Å; R856-W942 HydrophobicContact CB-CZ3 4.47Å; R856-W942 VanDerWaalsContact CD-CD2 3.47Å; R856-W942 VanDerWaalsContact CD-CE3 3.44Å
857	V	92	Very high	76.4	Confident	2 Å²	2	62.5 Å²	62.5	1%	0.012	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	128.2	-175.2	-174.4	0	0	0	0	110.2	P827 G830 S831 V833 F922	P827-V857 HydrophobicContact CB-CG2 4.39Å; P827-V857 HydrophobicContact CG-CG2 4.33Å; G830-V857 PolarHBondContact N-O 3.09Å; S831-V857 PolarHBondContact O-N 2.71Å; V833-V857 HydrophobicContact CB-CG2 4.44Å; V833-V857 HydrophobicContact CG1-CG2 3.68Å; V833-V857 HydrophobicContact CG2-CG2 3.94Å; V857-F922 HydrophobicContact CG2-CZ 4.46Å
858	I	87.4	Confident	73.7	Confident	41 Å²	41	69.2 Å²	69.2	21%	0.21	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-48	173.7	-62.5	170.9	0	0	0	109.7	S829 E898 R919	S829-I858 WeakPolarHBondContact CB-O 3.49Å; S829-I858 PolarHBondContact OG-O 3.06Å; I858-E898 HydrophobicContact CB-CB 4.45Å; I858-E898 HydrophobicContact CD1-CG 4.33Å; I858-E898 WeakPolarHBondContact CG2-OE2 3.46Å; I858-E898 PolarHBondContact N-O 3.36Å; I858-R919 HydrophobicContact CD1-CG 4.01Å
859	G	83.1	Confident	71	Confident	19 Å²	19	73.1 Å²	73.1	20%	0.196	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.8	-161.4	-179.3	0	0	0	0	0	112.8	W897 E898	G859-W897 CarbonylContact O-C 3.58Å; G859-W897 WeakPolarHBondContact O-CA 3.45Å; G859-W897 WeakPolarHBondContact O-CB 3.4Å; G859-E898 PolarHBondContact N-O 2.81Å; G859-E898 PolarHBondContact O-N 3.36Å
860	R	78.2	Confident	68	Low	130 Å²	130	79.9 Å²	79.9	49%	0.491	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	152.4	166.2	-72	-177.6	168.5	170.3	-3.8	110.2	D893	R860-D893 IonicContact CZ-OD2 3.41Å; R860-D893 IonicContact NE-OD1 3.5Å; R860-D893 IonicContact NE-OD2 2.85Å; R860-D893 IonicContact NH2-OD2 3.63Å; R860-D893 PolarHBondContact NH2-OD2 2.78Å
861	A	68.9	Low	65.3	Low	20 Å²	20	77.6 Å²	77.6	17%	0.165	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-61.6	144.1	173.5	0	0	0	0	0	111.3	W896 V921	A861-W896 HydrophobicContact CB-CB 3.81Å; A861-W896 PolarHBondContact N-O 3.44Å; A861-V921 HydrophobicContact CB-CG1 3.84Å
862	P	57.7	Low	62.8	Low	98 Å²	98	80.8 Å²	80.8	64%	0.636	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-74.6	130.7	173.3	30.3	-32.8	0	0	0	110.4	I864	P862-I864 PolarHBondContact O-N 3.02Å
863	N	48.8	Very low	60.1	Low	69 Å²	69	84.8 Å²	84.8	37%	0.369	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-77	120.8	-178.3	-158.5	-67.4	0	0	0	110.8	N865 D866	N863-N865 PolarHBondContact O-N 2.95Å; N863-N865 WeakPolarHBondContact OD1-CB 3.31Å; N863-N865 PolarHBondContact OD1-N 3.34Å; N863-N865 PolarHBondContact OD1-ND2 3.11Å; N863-D866 PolarHBondContact O-N 3.36Å
864	I	53.2	Low	57.3	Low	155 Å²	155	88.9 Å²	88.9	80%	0.795	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-9.6	-173.2	-65.3	172	0	0	0	113	P862	P862-I864 PolarHBondContact O-N 3.02Å
865	N	39.4	Very low	54.3	Low	138 Å²	138	93.6 Å²	93.6	74%	0.738	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-2.7	-177.3	-60.3	-81	0	0	0	115.4	N863 P867	N863-N865 PolarHBondContact O-N 2.95Å; N863-N865 WeakPolarHBondContact OD1-CB 3.31Å; N863-N865 PolarHBondContact OD1-N 3.34Å; N863-N865 PolarHBondContact OD1-ND2 3.11Å; N865-P867 WeakPolarHBondContact O-CD 3.27Å
866	D	42.4	Very low	51.4	Low	130 Å²	130	98.3 Å²	98.3	70%	0.695	59%	0.59	S	S	*	*			trans	-77.5	119.6	-178.1	-86	-41.2	0	0	0	112.7	N863 I868	N863-D866 PolarHBondContact O-N 3.36Å; D866-I868 PolarHBondContact O-N 3.29Å
867	P	35.7	Very low	48.4	Very low	104 Å²	104	100.4 Å²	100.4	68%	0.675	62%	0.62	S	S	*	*			trans	-77.6	124.1	-173.6	29.7	-34.5	0	0	0	113.1	N865 N869	N865-P867 WeakPolarHBondContact O-CD 3.27Å; P867-N869 PolarHBondContact O-N 3.41Å
868	I	34.7	Very low	45.5	Very low	145 Å²	145	106.7 Å²	106.7	74%	0.744	66%	0.658	S	S	*	*			trans	-70.3	89.3	-176.6	-52.9	175.2	0	0	0	111.7	D866 N870	D866-I868 PolarHBondContact O-N 3.29Å; I868-N870 PolarHBondContact O-N 3.01Å
869	N	35.7	Very low	42.9	Very low	150 Å²	150	111.1 Å²	111.1	80%	0.802	69%	0.687	S	S	*	*			trans	-78.2	79.8	172.9	-92.7	-43.2	0	0	0	112.2	P867 S871	P867-N869 PolarHBondContact O-N 3.41Å; N869-S871 PolarHBondContact O-N 2.95Å; N869-S871 VanDerWaalsContact O-N 3.16Å
870	N	29.7	Very low	40.3	Very low	153 Å²	153	121.8 Å²	121.8	82%	0.818	72%	0.721	S	S	*	*			trans	-62.6	109.3	172.8	-80.8	-46	0	0	0	112.3	I868	I868-N870 PolarHBondContact O-N 3.01Å
871	S	33.9	Very low	37.9	Very low	102 Å²	102	125.5 Å²	125.5	71%	0.713	74%	0.736	S	S	*	*			trans	-153.8	153.1	164.1	65.5	0	0	0	0	112.9	N869	N869-S871 PolarHBondContact O-N 2.95Å; N869-S871 VanDerWaalsContact O-N 3.16Å
872	S	38	Very low	36	Very low	119 Å²	119	130.7 Å²	130.7	83%	0.832	76%	0.761	S	S	*	*			trans	61.8	84	179.4	60.6	0	0	0	0	117.6
873	S	32	Very low	34.6	Very low	118 Å²	118	134.9 Å²	134.9	83%	0.825	77%	0.771	S	S	*	*			trans	-68.7	134.8	157.6	54.3	0	0	0	0	112.6
874	S	33.1	Very low	33.8	Very low	113 Å²	113	139 Å²	139	79%	0.79	79%	0.792	S	S	*	*				-179.6	118.7	128.3	59.5	0	0	0	0	115.5
875	A	30.8	Very low	32.5	Very low	101 Å²	101	137.7 Å²	137.7	84%	0.835	79%	0.792	S	S	*	*			trans	66.3	161.3	139.1	0	0	0	0	0	122.5
876	A	31.5	Very low	32	Very low	100 Å²	100	136.4 Å²	136.4	83%	0.826	79%	0.794	S	S	*	*			trans	71.4	89	166.2	0	0	0	0	0	118.4
877	A	29.7	Very low	31.5	Very low	102 Å²	102	137.4 Å²	137.4	84%	0.843	80%	0.798	S	S	*	*			trans	-70.9	136.4	159	0	0	0	0	0	111.3
878	T	30.9	Very low	31.2	Very low	133 Å²	133	138.6 Å²	138.6	82%	0.816	81%	0.808	S	S	*	*			trans	-156.9	128.2	154.3	-75.5	0	0	0	0	110.2	R880	T878-R880 PolarHBondContact O-N 3.25Å
879	T	33.4	Very low	30.9	Very low	134 Å²	134	134.5 Å²	134.5	82%	0.822	80%	0.802	S	S	*	*			trans	-37.5	123.1	171.6	-49.6	0	0	0	0	114.5
880	R	29.1	Very low	30.7	Very low	243 Å²	243	134 Å²	134	92%	0.917	81%	0.809	S	S	*	*			trans	-153.2	137	149.3	-118.2	163.5	-156.9	-163.1	2.6	115.4	T878	T878-R880 PolarHBondContact O-N 3.25Å
881	R	27.7	Very low	30.9	Very low	209 Å²	209	130.6 Å²	130.6	79%	0.789	80%	0.797	S	S	*	*			trans	-63.6	164.4	162	-122.1	176.4	176.6	91.4	-4.8	110.2
882	D	28.1	Very low	31.2	Very low	129 Å²	129	133 Å²	133	69%	0.69	80%	0.8	S	S	*	*			trans	63.9	75.1	157	-44.6	-29.1	0	0	0	117
883	Q	29.7	Very low	32	Very low	185 Å²	185	131.5 Å²	131.5	86%	0.864	78%	0.783	S	S	*	*			trans	-172.5	112.4	148.2	-105.3	146.2	109.2	0	0	111
884	L	30.2	Very low	33.7	Very low	155 Å²	155	129.1 Å²	129.1	81%	0.812	76%	0.761	S	S	*	*			trans	-167.6	53.2	154	-113.8	168.1	0	0	0	111.9
885	T	27.6	Very low	36.1	Very low	129 Å²	129	124.7 Å²	124.7	79%	0.791	73%	0.733	S	S	*	*			trans	-89.5	151.2	157.3	47.1	0	0	0	0	109
886	S	29	Very low	38.8	Very low	110 Å²	110	123.5 Å²	123.5	77%	0.769	71%	0.707	S	S	*	*			trans	65.1	86.7	-177.8	65.8	0	0	0	0	117.5
887	I	30.1	Very low	41.7	Very low	151 Å²	151	120.4 Å²	120.4	77%	0.774	67%	0.674	S	S	*	*			trans	-115.4	100.1	133.7	-63.1	-178.4	0	0	0	106.5
888	S	31	Very low	44.6	Very low	129 Å²	129	117.3 Å²	117.3	90%	0.902	64%	0.642	S	S	*	*			trans	-110.5	94.5	173.2	-173.9	0	0	0	0	107.4
889	G	28.2	Very low	47.6	Very low	60 Å²	60	111 Å²	111	62%	0.619	60%	0.603	S	S	*	*	S	Bend	trans	176.2	100.1	-175	0	0	0	0	0	114
890	C	30.2	Very low	50.4	Low	139 Å²	139	105.3 Å²	105.3	94%	0.939	57%	0.568	S	S	*	*			trans	51.5	78.7	151.1	-164.7	0	0	0	0	118.7
891	S	35.4	Very low	53.5	Low	82 Å²	82	94.2 Å²	94.2	57%	0.573	53%	0.527	S	S	*	.			trans	-136.8	154.8	139.4	70.1	0	0	0	0	109.8
892	I	38.8	Very low	56.5	Low	152 Å²	152	84.7 Å²	84.7	78%	0.779	49%	0.492	S	S	*	.			trans	-72.9	141	170.6	-67.7	169.9	0	0	0	107.5	D894	I892-D894 PolarHBondContact O-N 3Å
893	D	56.1	Low	59.2	Low	88 Å²	88	80.1 Å²	80.1	47%	0.471	47%	0.468	S	S	.	.			trans	-75.7	104.2	172.5	-154.7	-24.1	0	0	0	108.4	R860 G895	R860-D893 IonicContact CZ-OD2 3.41Å; R860-D893 IonicContact NE-OD1 3.5Å; R860-D893 IonicContact NE-OD2 2.85Å; R860-D893 IonicContact NH2-OD2 3.63Å; R860-D893 PolarHBondContact NH2-OD2 2.78Å; D893-G895 PolarHBondContact OD1-N 3.24Å
894	D	68	Low	61.6	Low	68 Å²	68	75 Å²	75	36%	0.364	45%	0.451	S	S	.	.			trans	-80.1	-6.2	175.5	52.6	32.7	0	0	0	112.5	I892 W896	I892-D894 PolarHBondContact O-N 3Å; D894-W896 VanDerWaalsContact C-N 3.34Å; D894-W896 VanDerWaalsContact O-CD1 3.32Å; D894-W896 PolarHBondContact OD1-N 2.9Å
895	G	83	Confident	63.4	Low	20 Å²	20	70.1 Å²	70.1	21%	0.206	43%	0.428	C	S	.	.	S	Bend	trans	82.1	3.8	178.7	0	0	0	0	0	114.8	D893 S924	D893-G895 PolarHBondContact OD1-N 3.24Å; G895-S924 VanDerWaalsContact O-CB 3.25Å; G895-S924 WeakPolarHBondContact O-CB 3.17Å; G895-S924 PolarHBondContact O-N 3.47Å; G895-S924 PolarHBondContact O-OG 2.91Å
896	W	87.2	Confident	64.8	Low	76 Å²	76	69.6 Å²	69.6	29%	0.288	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	132	-179.4	-67.9	84.3	0	0	0	112.3	F839 E846 A861 D894 V921 F922 P923	F839-W896 HydrophobicContact CZ-CH2 4.07Å; F839-W896 HydrophobicContact CZ-CZ3 4.18Å; E846-W896 HydrophobicContact CG-CH2 4.21Å; E846-W896 HydrophobicContact CG-CZ3 3.92Å; A861-W896 HydrophobicContact CB-CB 3.81Å; A861-W896 PolarHBondContact N-O 3.44Å; D894-W896 VanDerWaalsContact C-N 3.34Å; D894-W896 VanDerWaalsContact O-CD1 3.32Å; D894-W896 PolarHBondContact OD1-N 2.9Å; W896-V921 HydrophobicContact CE3-CB 4.23Å; W896-V921 HydrophobicContact CE3-CG2 4.02Å; W896-V921 HydrophobicContact CZ3-CG2 4.28Å; W896-F922 VanDerWaalsContact CE3-C 3.48Å; W896-P923 HydrophobicContact CD2-CG 4.49Å; W896-P923 HydrophobicContact CE3-CG 4.12Å; W896-P923 HydrophobicContact CH2-CG 3.82Å; W896-P923 HydrophobicContact CZ2-CG 4.16Å; W896-P923 HydrophobicContact CZ3-CG 3.77Å
897	W	91.5	Very high	66	Low	34 Å²	34	69.3 Å²	69.3	13%	0.129	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	150.9	175.4	-64.1	-13.7	0	0	0	110.7	P827 G859 V921 F922 S924 V927	P827-W897 HydrophobicContact CG-CE3 4Å; P827-W897 HydrophobicContact CG-CH2 3.42Å; P827-W897 VanDerWaalsContact CG-CH2 3.42Å; P827-W897 HydrophobicContact CG-CZ2 4.16Å; P827-W897 HydrophobicContact CG-CZ3 3.31Å; G859-W897 CarbonylContact O-C 3.58Å; G859-W897 WeakPolarHBondContact O-CA 3.45Å; G859-W897 WeakPolarHBondContact O-CB 3.4Å; W897-V921 CarbonylContact O-C 3.55Å; W897-V921 VanDerWaalsContact O-CA 3.23Å; W897-V921 WeakPolarHBondContact O-CA 3.38Å; W897-F922 HydrophobicContact CB-CE1 3.97Å; W897-F922 HydrophobicContact CB-CE2 4.18Å; W897-F922 HydrophobicContact CB-CZ 3.76Å; W897-F922 AromaticContact CE3-CE2 3.9Å; W897-F922 HydrophobicContact CE3-CE2 3.9Å; W897-F922 HydrophobicContact CE3-CZ 4.03Å; W897-F922 PolarHBondContact N-O 2.87Å; W897-F922 VanDerWaalsContact O-CD1 3.22Å; W897-F922 WeakPolarHBondContact O-CD1 3.37Å; W897-F922 PolarHBondContact O-N 3.35Å; W897-S924 VanDerWaalsContact CD2-CB 3.5Å; W897-V927 HydrophobicContact CE3-CG2 4.31Å; W897-V927 HydrophobicContact CZ3-CG2 3.81Å
898	E	92.1	Very high	66.8	Low	37 Å²	37	70.9 Å²	70.9	17%	0.173	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	140.3	172.5	-167.2	-169.9	-155.1	0	0	109.8	I858 G859 R919 G920 V921	I858-E898 HydrophobicContact CB-CB 4.45Å; I858-E898 HydrophobicContact CD1-CG 4.33Å; I858-E898 WeakPolarHBondContact CG2-OE2 3.46Å; I858-E898 PolarHBondContact N-O 3.36Å; G859-E898 PolarHBondContact N-O 2.81Å; G859-E898 PolarHBondContact O-N 3.36Å; E898-R919 IonicContact OE1-CZ 2.73Å; E898-R919 IonicContact OE1-NE 2.71Å; E898-R919 PolarHBondContact OE1-NE 2.9Å; E898-R919 IonicContact OE1-NH2 2.96Å; E898-R919 PolarHBondContact OE1-NH2 3.34Å; E898-R919 IonicContact OE2-CZ 2.7Å; E898-R919 IonicContact OE2-NE 3.98Å; E898-R919 IonicContact OE2-NH2 2.64Å; E898-R919 PolarHBondContact OE2-NH2 2.78Å; E898-G920 WeakPolarHBondContact CA-O 3.5Å; E898-V921 HydrophobicContact CB-CG1 4.46Å
899	G	92.5	Very high	67.5	Low	0 Å²	0	71 Å²	71	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	170.4	179.2	0	0	0	0	0	115.7	R856 R919 G920	R856-G899 CarbonylContact O-C 3.45Å; R856-G899 WeakPolarHBondContact O-CA 3.39Å; G899-R919 WeakPolarHBondContact O-CA 3.38Å; G899-G920 PolarHBondContact N-O 3.05Å; G899-G920 PolarHBondContact O-N 3.27Å
900	D	93.9	Very high	68.4	Low	15 Å²	15	76 Å²	76	8%	0.08	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	109.2	174.7	-54.9	-64	0	0	0	110.1	I855 R856 I918 W942	I855-D900 CarbonylContact C-O 3.59Å; I855-D900 WeakPolarHBondContact CA-O 3.36Å; R856-D900 HydrophobicContact CB-CB 4.29Å; R856-D900 PolarHBondContact N-O 3.5Å; R856-D900 IonicContact NH1-OD2 3.15Å; R856-D900 PolarHBondContact NH1-OD2 2.83Å; R856-D900 PolarHBondContact O-N 2.71Å; D900-I918 CarbonylContact C-O 3.57Å; D900-I918 WeakPolarHBondContact CA-O 3.46Å; D900-W942 HydrophobicContact CB-CH2 4.04Å; D900-W942 HydrophobicContact CB-CZ3 3.72Å; D900-W942 WeakPolarHBondContact OD2-CH2 2.99Å
901	L	93.3	Very high	69.3	Low	10 Å²	10	78.4 Å²	78.4	5%	0.052	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	127.2	171.9	174.7	65.3	0	0	0	110.6	L847 S848 F849 A853 I855 V903 S917 I918	L847-L901 HydrophobicContact CD1-CB 4.19Å; L847-L901 HydrophobicContact CD2-CB 3.98Å; S848-L901 WeakPolarHBondContact O-CD2 3.43Å; F849-L901 HydrophobicContact CB-CD1 3.88Å; F849-L901 HydrophobicContact CB-CD2 4.13Å; A853-L901 HydrophobicContact CB-CD1 4.13Å; I855-L901 HydrophobicContact CG1-CD1 3.92Å; L901-V903 HydrophobicContact CD2-CG2 4.14Å; L901-V903 HydrophobicContact CG-CG2 3.98Å; L901-S917 WeakPolarHBondContact O-CA 3.28Å; L901-I918 HydrophobicContact CB-CB 4.44Å; L901-I918 PolarHBondContact N-O 3.17Å; L901-I918 PolarHBondContact O-N 3.18Å
902	L	90.1	Very high	70	Confident	10 Å²	10	80.9 Å²	80.9	5%	0.052	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	111.8	-178.8	-71.8	138.9	0	0	0	111.4	F832 V854 W938 W942 I945	F832-L902 HydrophobicContact CD1-CD1 3.97Å; F832-L902 HydrophobicContact CE1-CD1 3.95Å; V854-L902 HydrophobicContact CB-CD1 4.3Å; V854-L902 HydrophobicContact CG1-CD1 3.84Å; V854-L902 PolarHBondContact O-N 3.41Å; L902-W938 HydrophobicContact CB-CZ3 4.11Å; L902-W938 HydrophobicContact CD1-CE3 3.89Å; L902-W938 HydrophobicContact CD1-CZ3 4.17Å; L902-W938 HydrophobicContact CD2-CE3 4.42Å; L902-W938 HydrophobicContact CD2-CZ3 4.39Å; L902-W938 HydrophobicContact CG-CZ3 4.46Å; L902-W942 HydrophobicContact CD2-CE3 4.32Å; L902-I945 HydrophobicContact CD2-CD1 3.67Å
903	V	85.3	Confident	70.8	Confident	32 Å²	32	80.5 Å²	80.5	19%	0.194	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.6	-178.8	-169.4	0	0	0	0	110.6	L901 F915 Y916 I918	L901-V903 HydrophobicContact CD2-CG2 4.14Å; L901-V903 HydrophobicContact CG-CG2 3.98Å; V903-F915 WeakPolarHBondContact O-CA 3.27Å; V903-Y916 HydrophobicContact CB-CD1 4.12Å; V903-Y916 HydrophobicContact CB-CD2 4.47Å; V903-Y916 HydrophobicContact CB-CE1 3.66Å; V903-Y916 HydrophobicContact CB-CE2 4.06Å; V903-Y916 HydrophobicContact CG1-CE1 3.63Å; V903-Y916 HydrophobicContact CG1-CE2 4.43Å; V903-Y916 WeakPolarHBondContact CG1-OH 3.44Å; V903-Y916 HydrophobicContact CG2-CE2 4.44Å; V903-Y916 PolarHBondContact N-O 2.82Å; V903-Y916 VanDerWaalsContact O-CD1 3.23Å; V903-Y916 WeakPolarHBondContact O-CD1 3.21Å; V903-Y916 PolarHBondContact O-N 2.79Å; V903-I918 HydrophobicContact CG2-CD1 3.9Å; V903-I918 HydrophobicContact CG2-CG1 4.27Å
904	P	80.2	Confident	71.3	Confident	77 Å²	77	80.5 Å²	80.5	50%	0.5	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	143.6	177.1	29.3	-34.1	0	0	0	111.9	F915	P904-F915 HydrophobicContact CB-CD1 4.11Å; P904-F915 HydrophobicContact CB-CE1 3.79Å; P904-F915 HydrophobicContact CB-CZ 4.22Å; P904-F915 HydrophobicContact CG-CE1 4.42Å
905	V	67.8	Low	71.5	Confident	53 Å²	53	78.3 Å²	78.3	32%	0.321	41%	0.407	S	S	.	.			trans	-79.6	128.1	174.3	-179.5	0	0	0	0	109.7	N907 Q914 Y916	V905-N907 PolarHBondContact O-N 2.84Å; V905-Q914 HydrophobicContact CB-CB 4.14Å; V905-Q914 HydrophobicContact CG2-CB 3.96Å; V905-Q914 PolarHBondContact N-O 2.84Å; V905-Y916 HydrophobicContact CG2-CD1 3.89Å
906	S	58.2	Low	71.5	Confident	118 Å²	118	81.7 Å²	81.7	83%	0.825	41%	0.414	S	S	*	.			trans	-79.7	61	-177.2	63.5	0	0	0	0	113.6
907	N	52.3	Low	71.5	Confident	105 Å²	105	80.5 Å²	80.5	56%	0.561	42%	0.418	S	S	*	.			trans	-90.7	142.1	171.8	-76.4	-27	0	0	0	111	V905 N909	V905-N907 PolarHBondContact O-N 2.84Å; N907-N909 VanDerWaalsContact C-N 3.29Å; N907-N909 PolarHBondContact O-N 2.79Å
908	K	48.2	Very low	71.3	Confident	183 Å²	183	82.5 Å²	82.5	80%	0.796	43%	0.43	S	S	*	.	S	Bend	trans	-86.9	23.3	-170	-66.7	-173.7	174.3	-177.6	0	115.2
909	N	46.3	Very low	71.3	Confident	131 Å²	131	87.9 Å²	87.9	70%	0.701	45%	0.449	S	S	*	.			trans	-124.2	118.5	-174.8	-61.4	1.5	0	0	0	109	N907 E911	N907-N909 VanDerWaalsContact C-N 3.29Å; N907-N909 PolarHBondContact O-N 2.79Å; N909-E911 VanDerWaalsContact C-N 3.29Å; N909-E911 PolarHBondContact O-N 3.12Å; N909-E911 VanDerWaalsContact O-N 3.13Å
910	D	47	Very low	71.2	Confident	166 Å²	166	88.2 Å²	88.2	89%	0.888	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-0.2	-162.5	-75.6	-56.1	0	0	0	117
911	E	48.7	Very low	71.2	Confident	190 Å²	190	88.1 Å²	88.1	89%	0.888	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-16.4	-173	-59.9	-159.6	140.9	0	0	115.7	N909	N909-E911 VanDerWaalsContact C-N 3.29Å; N909-E911 PolarHBondContact O-N 3.12Å; N909-E911 VanDerWaalsContact O-N 3.13Å
912	D	49.6	Very low	71.2	Confident	134 Å²	134	87.6 Å²	87.6	72%	0.717	45%	0.449	S	S	*	.			trans	-126.4	81.7	-179	-85.9	-51.3	0	0	0	112.5	Q914	D912-Q914 PolarHBondContact O-N 3.49Å
913	Q	55.8	Low	71.2	Confident	143 Å²	143	88.2 Å²	88.2	67%	0.668	45%	0.454	S	S	*	.			trans	-74.2	89.4	173.4	-75	-170.1	-10.7	0	0	112	F915	Q913-F915 HydrophobicContact CB-CE2 4.02Å; Q913-F915 VanDerWaalsContact O-CD2 3.29Å; Q913-F915 WeakPolarHBondContact O-CD2 3.48Å; Q913-F915 WeakPolarHBondContact O-CE2 3.49Å
914	Q	66.1	Low	71.4	Confident	89 Å²	89	88 Å²	88	42%	0.416	45%	0.454	S	S	.	.			trans	-73	148	168.9	-69.1	179.9	-25.3	0	0	111.9	V905 D912	V905-Q914 HydrophobicContact CB-CB 4.14Å; V905-Q914 HydrophobicContact CG2-CB 3.96Å; V905-Q914 PolarHBondContact N-O 2.84Å; D912-Q914 PolarHBondContact O-N 3.49Å
915	F	73.4	Confident	71.8	Confident	21 Å²	21	91.9 Å²	91.9	9%	0.092	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	151.9	176.9	-70.9	-99.8	0	0	0	110.6	V903 P904 Q913 W938 R941 I945	V903-F915 WeakPolarHBondContact O-CA 3.27Å; P904-F915 HydrophobicContact CB-CD1 4.11Å; P904-F915 HydrophobicContact CB-CE1 3.79Å; P904-F915 HydrophobicContact CB-CZ 4.22Å; P904-F915 HydrophobicContact CG-CE1 4.42Å; Q913-F915 HydrophobicContact CB-CE2 4.02Å; Q913-F915 VanDerWaalsContact O-CD2 3.29Å; Q913-F915 WeakPolarHBondContact O-CD2 3.48Å; Q913-F915 WeakPolarHBondContact O-CE2 3.49Å; F915-W938 HydrophobicContact CD1-CZ3 4.4Å; F915-W938 HydrophobicContact CE1-CH2 4.07Å; F915-W938 AromaticContact CE1-CZ3 3.99Å; F915-W938 HydrophobicContact CE1-CZ3 3.99Å; F915-W938 HydrophobicContact CZ-CH2 4.39Å; F915-W938 HydrophobicContact CZ-CZ3 4.36Å; F915-R941 HydrophobicContact CE2-CG 4.39Å; F915-I945 HydrophobicContact CB-CG1 4.4Å
916	Y	82.9	Confident	72.9	Confident	92 Å²	92	90.6 Å²	90.6	36%	0.361	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	154.8	168	65.9	-78.4	0	0	0	110.6	V903 V905 I918	V903-Y916 HydrophobicContact CB-CD1 4.12Å; V903-Y916 HydrophobicContact CB-CD2 4.47Å; V903-Y916 HydrophobicContact CB-CE1 3.66Å; V903-Y916 HydrophobicContact CB-CE2 4.06Å; V903-Y916 HydrophobicContact CG1-CE1 3.63Å; V903-Y916 HydrophobicContact CG1-CE2 4.43Å; V903-Y916 WeakPolarHBondContact CG1-OH 3.44Å; V903-Y916 HydrophobicContact CG2-CE2 4.44Å; V903-Y916 PolarHBondContact N-O 2.82Å; V903-Y916 VanDerWaalsContact O-CD1 3.23Å; V903-Y916 WeakPolarHBondContact O-CD1 3.21Å; V903-Y916 PolarHBondContact O-N 2.79Å; V905-Y916 HydrophobicContact CG2-CD1 3.89Å; Y916-I918 HydrophobicContact CD2-CG1 4.13Å; Y916-I918 HydrophobicContact CE2-CD1 3.94Å; Y916-I918 HydrophobicContact CE2-CG1 3.9Å
917	S	86.2	Confident	74.4	Confident	51 Å²	51	85.8 Å²	85.8	36%	0.357	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	129.5	-179.3	51.8	0	0	0	0	111.7	L901	L901-S917 WeakPolarHBondContact O-CA 3.28Å
918	I	88.4	Confident	76.3	Confident	76 Å²	76	86.7 Å²	86.7	39%	0.39	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	123.2	168.2	-51.8	177.3	0	0	0	107.5	L847 D900 L901 V903 Y916	L847-I918 HydrophobicContact CD2-CB 4.47Å; L847-I918 HydrophobicContact CD2-CG2 4.12Å; L847-I918 WeakPolarHBondContact CD2-O 3.47Å; D900-I918 CarbonylContact C-O 3.57Å; D900-I918 WeakPolarHBondContact CA-O 3.46Å; L901-I918 HydrophobicContact CB-CB 4.44Å; L901-I918 PolarHBondContact N-O 3.17Å; L901-I918 PolarHBondContact O-N 3.18Å; V903-I918 HydrophobicContact CG2-CD1 3.9Å; V903-I918 HydrophobicContact CG2-CG1 4.27Å; Y916-I918 HydrophobicContact CD2-CG1 4.13Å; Y916-I918 HydrophobicContact CE2-CD1 3.94Å; Y916-I918 HydrophobicContact CE2-CG1 3.9Å
919	R	91.1	Very high	78.2	Confident	149 Å²	149	80.9 Å²	80.9	56%	0.562	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	142.8	179.7	-178.4	172.2	171.9	159.4	0.5	111.2	I858 E898 G899	I858-R919 HydrophobicContact CD1-CG 4.01Å; E898-R919 IonicContact OE1-CZ 2.73Å; E898-R919 IonicContact OE1-NE 2.71Å; E898-R919 PolarHBondContact OE1-NE 2.9Å; E898-R919 IonicContact OE1-NH2 2.96Å; E898-R919 PolarHBondContact OE1-NH2 3.34Å; E898-R919 IonicContact OE2-CZ 2.7Å; E898-R919 IonicContact OE2-NE 3.98Å; E898-R919 IonicContact OE2-NH2 2.64Å; E898-R919 PolarHBondContact OE2-NH2 2.78Å; G899-R919 WeakPolarHBondContact O-CA 3.38Å
920	G	91.3	Very high	80	Confident	7 Å²	7	75.8 Å²	75.8	7%	0.072	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.5	-174.1	174.8	0	0	0	0	0	112.9	D845 E898 G899	D845-G920 CarbonylContact O-C 3.47Å; D845-G920 WeakPolarHBondContact O-CA 3.25Å; E898-G920 WeakPolarHBondContact CA-O 3.5Å; G899-G920 PolarHBondContact N-O 3.05Å; G899-G920 PolarHBondContact O-N 3.27Å
921	V	92.8	Very high	81.8	Confident	13 Å²	13	70.6 Å²	70.6	8%	0.079	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	153.2	177.4	-60.8	0	0	0	0	112.6	D845 E846 L847 A861 W896 W897 E898	D845-V921 HydrophobicContact CB-CG2 4.46Å; D845-V921 PolarHBondContact O-N 3.25Å; D845-V921 WeakPolarHBondContact OD2-CG2 3.27Å; E846-V921 WeakPolarHBondContact CA-O 3.41Å; E846-V921 HydrophobicContact CG-CG2 3.9Å; L847-V921 PolarHBondContact N-O 3.39Å; A861-V921 HydrophobicContact CB-CG1 3.84Å; W896-V921 HydrophobicContact CE3-CB 4.23Å; W896-V921 HydrophobicContact CE3-CG2 4.02Å; W896-V921 HydrophobicContact CZ3-CG2 4.28Å; W897-V921 CarbonylContact O-C 3.55Å; W897-V921 VanDerWaalsContact O-CA 3.23Å; W897-V921 WeakPolarHBondContact O-CA 3.38Å; E898-V921 HydrophobicContact CB-CG1 4.46Å
922	F	92.8	Very high	83	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	153	178.3	63.5	-80.4	0	0	0	111.8	V833 L847 F849 I855 V857 W896 W897 S924 V927	V833-F922 HydrophobicContact CG2-CE2 4.25Å; V833-F922 HydrophobicContact CG2-CZ 4.24Å; L847-F922 HydrophobicContact CD1-CB 4.49Å; L847-F922 HydrophobicContact CD1-CD1 3.9Å; F849-F922 HydrophobicContact CE1-CB 3.78Å; F849-F922 HydrophobicContact CZ-CB 4.25Å; I855-F922 HydrophobicContact CD1-CD1 4.34Å; I855-F922 HydrophobicContact CD1-CD2 4.22Å; I855-F922 HydrophobicContact CD1-CE2 4.46Å; I855-F922 HydrophobicContact CD1-CG 4.16Å; I855-F922 HydrophobicContact CG2-CD1 4.23Å; I855-F922 HydrophobicContact CG2-CE1 3.73Å; I855-F922 HydrophobicContact CG2-CZ 4.08Å; V857-F922 HydrophobicContact CG2-CZ 4.46Å; W896-F922 VanDerWaalsContact CE3-C 3.48Å; W897-F922 HydrophobicContact CB-CE1 3.97Å; W897-F922 HydrophobicContact CB-CE2 4.18Å; W897-F922 HydrophobicContact CB-CZ 3.76Å; W897-F922 AromaticContact CE3-CE2 3.9Å; W897-F922 HydrophobicContact CE3-CE2 3.9Å; W897-F922 HydrophobicContact CE3-CZ 4.03Å; W897-F922 PolarHBondContact N-O 2.87Å; W897-F922 VanDerWaalsContact O-CD1 3.22Å; W897-F922 WeakPolarHBondContact O-CD1 3.37Å; W897-F922 PolarHBondContact O-N 3.35Å; F922-S924 PolarHBondContact O-N 2.78Å; F922-V927 HydrophobicContact CD2-CG1 3.93Å; F922-V927 HydrophobicContact CE2-CG1 3.84Å; F922-V927 HydrophobicContact CE2-CG2 3.88Å
923	P	91.6	Very high	84.4	Confident	23 Å²	23	64.3 Å²	64.3	15%	0.149	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	124.1	177.5	-11.6	26.7	0	0	0	111.4	F839 W896 M925 L926	F839-P923 HydrophobicContact CD2-CG 4.49Å; F839-P923 HydrophobicContact CE1-CG 4.43Å; F839-P923 HydrophobicContact CE2-CG 3.84Å; F839-P923 HydrophobicContact CZ-CG 3.82Å; W896-P923 HydrophobicContact CD2-CG 4.49Å; W896-P923 HydrophobicContact CE3-CG 4.12Å; W896-P923 HydrophobicContact CH2-CG 3.82Å; W896-P923 HydrophobicContact CZ2-CG 4.16Å; W896-P923 HydrophobicContact CZ3-CG 3.77Å; P923-M925 PolarHBondContact O-N 2.68Å; P923-M925 VanDerWaalsContact O-N 3.15Å; P923-L926 HydrophobicContact CB-CD1 4.29Å; P923-L926 HydrophobicContact CB-CG 4.17Å; P923-L926 HydrophobicContact CG-CD1 3.99Å; P923-L926 HydrophobicContact CG-CG 4.42Å; P923-L926 PolarHBondContact O-N 2.9Å; P923-L926 VanDerWaalsContact O-N 3.1Å
924	S	88.9	Confident	85.5	Confident	28 Å²	28	60.2 Å²	60.2	20%	0.196	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-54	-31.8	-179.9	55.8	0	0	0	0	114.9	G895 W897 F922 L926 V927	G895-S924 VanDerWaalsContact O-CB 3.25Å; G895-S924 WeakPolarHBondContact O-CB 3.17Å; G895-S924 PolarHBondContact O-N 3.47Å; G895-S924 PolarHBondContact O-OG 2.91Å; W897-S924 VanDerWaalsContact CD2-CB 3.5Å; F922-S924 PolarHBondContact O-N 2.78Å; S924-L926 PolarHBondContact O-N 3.11Å; S924-V927 VanDerWaalsContact O-CG2 3.28Å; S924-V927 WeakPolarHBondContact O-CG2 3.45Å
925	M	89.1	Confident	86.3	Confident	158 Å²	158	57.3 Å²	57.3	78%	0.778	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-67.9	-17.6	-179.4	-170.6	176.3	67.4	0	0	113.6	P923	P923-M925 PolarHBondContact O-N 2.68Å; P923-M925 VanDerWaalsContact O-N 3.15Å
926	L	89.7	Confident	86.4	Confident	26 Å²	26	62 Å²	62	14%	0.136	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-92.5	5.9	-174.8	-54.6	-172.4	0	0	0	113.8	L836 I837 F839 P923 S924	L836-L926 PolarHBondContact N-O 3.36Å; I837-L926 HydrophobicContact CD1-CD1 4.31Å; I837-L926 HydrophobicContact CD1-CD2 3.75Å; I837-L926 HydrophobicContact CG1-CB 4.46Å; I837-L926 HydrophobicContact CG1-CD1 4.46Å; I837-L926 HydrophobicContact CG1-CD2 4.15Å; F839-L926 HydrophobicContact CB-CD1 4.03Å; F839-L926 HydrophobicContact CD2-CD1 3.43Å; F839-L926 VanDerWaalsContact CD2-CD1 3.43Å; F839-L926 HydrophobicContact CE2-CD1 4.12Å; F839-L926 HydrophobicContact CG-CD1 3.85Å; P923-L926 HydrophobicContact CB-CD1 4.29Å; P923-L926 HydrophobicContact CB-CG 4.17Å; P923-L926 HydrophobicContact CG-CD1 3.99Å; P923-L926 HydrophobicContact CG-CG 4.42Å; P923-L926 PolarHBondContact O-N 2.9Å; P923-L926 VanDerWaalsContact O-N 3.1Å; S924-L926 PolarHBondContact O-N 3.11Å
927	V	91.1	Very high	86.4	Confident	16 Å²	16	62.3 Å²	62.3	10%	0.097	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	159.6	-173.7	-58.7	0	0	0	0	113	V833 R834 I855 W897 F922 S924	V833-V927 HydrophobicContact CB-CB 3.94Å; V833-V927 HydrophobicContact CB-CG2 3.98Å; V833-V927 HydrophobicContact CG1-CG2 4.28Å; V833-V927 HydrophobicContact CG2-CB 3.9Å; V833-V927 HydrophobicContact CG2-CG1 4.07Å; V833-V927 HydrophobicContact CG2-CG2 3.91Å; R834-V927 CarbonylContact O-C 3.52Å; R834-V927 VanDerWaalsContact O-CA 3.25Å; R834-V927 WeakPolarHBondContact O-CA 3.45Å; I855-V927 HydrophobicContact CD1-CG1 4.47Å; W897-V927 HydrophobicContact CE3-CG2 4.31Å; W897-V927 HydrophobicContact CZ3-CG2 3.81Å; F922-V927 HydrophobicContact CD2-CG1 3.93Å; F922-V927 HydrophobicContact CE2-CG1 3.84Å; F922-V927 HydrophobicContact CE2-CG2 3.88Å; S924-V927 VanDerWaalsContact O-CG2 3.28Å; S924-V927 WeakPolarHBondContact O-CG2 3.45Å
928	Q	90.7	Very high	86.2	Confident	124 Å²	124	61.4 Å²	61.4	58%	0.579	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.2	137.9	174.8	-174.7	178.8	27.9	0	0	110.3	V833 R834 L836 L930	V833-Q928 CarbonylContact C-O 3.32Å; V833-Q928 VanDerWaalsContact CA-O 3.31Å; V833-Q928 WeakPolarHBondContact CA-O 3.43Å; R834-Q928 PolarHBondContact N-O 3.47Å; R834-Q928 PolarHBondContact O-N 3.25Å; L836-Q928 HydrophobicContact CD1-CB 4.4Å; L836-Q928 HydrophobicContact CD2-CB 3.94Å; L836-Q928 HydrophobicContact CG-CB 4.25Å; Q928-L930 PolarHBondContact O-N 3Å
929	S	88	Confident	85.9	Confident	61 Å²	61	62.6 Å²	62.6	43%	0.427	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	134.8	174.5	-56.5	0	0	0	0	111.8
930	L	85.7	Confident	85.3	Confident	25 Å²	25	59.9 Å²	59.9	13%	0.131	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-74.5	155.1	175.4	-80.2	150.7	0	0	0	111.6	F832 R834 V854 Q928 D934	F832-L930 HydrophobicContact CB-CD1 3.59Å; F832-L930 PolarHBondContact O-N 3.1Å; F832-L930 VanDerWaalsContact O-N 3.12Å; R834-L930 HydrophobicContact CB-CD1 4.41Å; R834-L930 HydrophobicContact CB-CD2 4.23Å; R834-L930 HydrophobicContact CB-CG 4.19Å; V854-L930 HydrophobicContact CG1-CD1 3.62Å; V854-L930 HydrophobicContact CG2-CD1 4.11Å; Q928-L930 PolarHBondContact O-N 3Å; L930-D934 HydrophobicContact CB-CB 4.12Å; L930-D934 HydrophobicContact CD2-CB 3.72Å; L930-D934 HydrophobicContact CG-CB 4.49Å
931	S	83.2	Confident	84.7	Confident	56 Å²	56	63.7 Å²	63.7	39%	0.392	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-65.5	159.1	174.7	81.2	0	0	0	0	111	V933 D934 S935	S931-V933 PolarHBondContact O-N 2.97Å; S931-V933 PolarHBondContact OG-N 3.48Å; S931-D934 WeakPolarHBondContact CB-OD2 3.45Å; S931-D934 PolarHBondContact O-N 3.26Å; S931-D934 PolarHBondContact OG-N 3.22Å; S931-D934 VanDerWaalsContact OG-N 3.13Å; S931-D934 PolarHBondContact OG-OD2 3.08Å; S931-S935 VanDerWaalsContact O-CB 3.27Å; S931-S935 WeakPolarHBondContact O-CB 3.42Å; S931-S935 PolarHBondContact O-N 3.32Å
932	S	75.5	Confident	84.1	Confident	89 Å²	89	66.3 Å²	66.3	62%	0.622	36%	0.356	S	S	*	.	H	α-helix	trans	-55.3	-39.6	176.2	-163.5	0	0	0	0	111.9	S935 E936	S932-S935 PolarHBondContact O-N 2.97Å; S932-E936 WeakPolarHBondContact O-CG 3.41Å; S932-E936 PolarHBondContact O-N 2.89Å
933	V	77.9	Confident	83.3	Confident	103 Å²	103	71.9 Å²	71.9	62%	0.624	39%	0.386	S	S	*	.	H	α-helix	trans	-66.6	-44.6	180	-176.5	0	0	0	0	111.2	S931 L937	S931-V933 PolarHBondContact O-N 2.97Å; S931-V933 PolarHBondContact OG-N 3.48Å; V933-L937 WeakPolarHBondContact O-CG 3.43Å; V933-L937 PolarHBondContact O-N 2.97Å
934	D	79.5	Confident	82.2	Confident	57 Å²	57	76.7 Å²	76.7	31%	0.305	41%	0.41	S	S	.	.	H	α-helix	trans	-66	-39.8	174.7	-64.7	-70	0	0	0	111.7	L930 S931 E936 L937 W938	L930-D934 HydrophobicContact CB-CB 4.12Å; L930-D934 HydrophobicContact CD2-CB 3.72Å; L930-D934 HydrophobicContact CG-CB 4.49Å; S931-D934 WeakPolarHBondContact CB-OD2 3.45Å; S931-D934 PolarHBondContact O-N 3.26Å; S931-D934 PolarHBondContact OG-N 3.22Å; S931-D934 VanDerWaalsContact OG-N 3.13Å; S931-D934 PolarHBondContact OG-OD2 3.08Å; D934-E936 VanDerWaalsContact C-N 3.31Å; D934-E936 PolarHBondContact O-N 2.97Å; D934-L937 WeakPolarHBondContact O-CB 3.3Å; D934-L937 PolarHBondContact O-N 2.88Å; D934-W938 PolarHBondContact O-N 2.65Å
935	S	81.8	Confident	81.1	Confident	29 Å²	29	77 Å²	77	20%	0.203	41%	0.409	C	S	.	.	H	α-helix	trans	-64.6	-33.9	-179.3	-172.3	0	0	0	0	112.1	S931 S932 M939	S931-S935 VanDerWaalsContact O-CB 3.27Å; S931-S935 WeakPolarHBondContact O-CB 3.42Å; S931-S935 PolarHBondContact O-N 3.32Å; S932-S935 PolarHBondContact O-N 2.97Å; S935-M939 PolarHBondContact O-N 3.15Å
936	E	77.3	Confident	79.3	Confident	118 Å²	118	75.3 Å²	75.3	55%	0.551	40%	0.403	S	S	*	.	H	α-helix	trans	-66.1	-44.9	171.1	-75.9	169.3	-146.9	0	0	111.6	S932 D934 W938 M939 V940	S932-E936 WeakPolarHBondContact O-CG 3.41Å; S932-E936 PolarHBondContact O-N 2.89Å; D934-E936 VanDerWaalsContact C-N 3.31Å; D934-E936 PolarHBondContact O-N 2.97Å; E936-W938 VanDerWaalsContact C-N 3.29Å; E936-W938 PolarHBondContact O-N 3.5Å; E936-M939 PolarHBondContact O-N 3.22Å; E936-V940 PolarHBondContact O-N 3.24Å; E936-V940 VanDerWaalsContact O-N 3.12Å
937	L	81.2	Confident	76.8	Confident	99 Å²	99	79.8 Å²	79.8	52%	0.518	44%	0.436	S	S	.	.	H	α-helix	trans	-61.6	-35.6	175.4	-65.8	172.6	0	0	0	112.4	V933 D934 R941	V933-L937 WeakPolarHBondContact O-CG 3.43Å; V933-L937 PolarHBondContact O-N 2.97Å; D934-L937 WeakPolarHBondContact O-CB 3.3Å; D934-L937 PolarHBondContact O-N 2.88Å; L937-R941 PolarHBondContact O-N 2.94Å
938	W	83.7	Confident	74.2	Confident	32 Å²	32	86.3 Å²	86.3	12%	0.121	47%	0.468	C	S	.	.	H	α-helix	trans	-77.1	-29.9	175.3	-76.5	107.3	0	0	0	113.7	F832 V854 L902 F915 D934 E936 V940 R941 W942	F832-W938 HydrophobicContact CD1-CB 3.84Å; F832-W938 HydrophobicContact CD2-CB 4.03Å; F832-W938 HydrophobicContact CE1-CB 3.87Å; F832-W938 HydrophobicContact CE2-CB 4.08Å; F832-W938 HydrophobicContact CG-CB 3.91Å; F832-W938 HydrophobicContact CZ-CB 3.99Å; V854-W938 HydrophobicContact CB-CD2 4.35Å; V854-W938 HydrophobicContact CB-CH2 4.3Å; V854-W938 HydrophobicContact CB-CZ2 4.01Å; V854-W938 HydrophobicContact CG1-CD2 3.92Å; V854-W938 HydrophobicContact CG1-CE3 4.36Å; V854-W938 HydrophobicContact CG1-CG 4.13Å; V854-W938 HydrophobicContact CG1-CZ2 4.46Å; V854-W938 HydrophobicContact CG2-CD2 4.49Å; V854-W938 HydrophobicContact CG2-CH2 4.36Å; V854-W938 HydrophobicContact CG2-CZ2 3.65Å; L902-W938 HydrophobicContact CB-CZ3 4.11Å; L902-W938 HydrophobicContact CD1-CE3 3.89Å; L902-W938 HydrophobicContact CD1-CZ3 4.17Å; L902-W938 HydrophobicContact CD2-CE3 4.42Å; L902-W938 HydrophobicContact CD2-CZ3 4.39Å; L902-W938 HydrophobicContact CG-CZ3 4.46Å; F915-W938 HydrophobicContact CD1-CZ3 4.4Å; F915-W938 HydrophobicContact CE1-CH2 4.07Å; F915-W938 AromaticContact CE1-CZ3 3.99Å; F915-W938 HydrophobicContact CE1-CZ3 3.99Å; F915-W938 HydrophobicContact CZ-CH2 4.39Å; F915-W938 HydrophobicContact CZ-CZ3 4.36Å; D934-W938 PolarHBondContact O-N 2.65Å; E936-W938 VanDerWaalsContact C-N 3.29Å; E936-W938 PolarHBondContact O-N 3.5Å; W938-V940 VanDerWaalsContact C-N 3.34Å; W938-R941 HydrophobicContact CE3-CB 4.14Å; W938-R941 HydrophobicContact CE3-CG 4.49Å; W938-R941 PolarHBondContact O-N 3.01Å; W938-W942 WeakPolarHBondContact O-CB 3.4Å; W938-W942 PolarHBondContact O-N 2.9Å
939	M	81.6	Confident	71.2	Confident	101 Å²	101	84.5 Å²	84.5	50%	0.498	47%	0.469	S	S	.	.	H	α-helix	trans	-61.3	-41.1	167.4	-86.7	-142.9	-61.9	0	0	112.3	F832 S935 E936 R941 W942 N943	F832-M939 HydrophobicContact CE2-CB 4.48Å; F832-M939 HydrophobicContact CE2-CG 3.73Å; F832-M939 HydrophobicContact CZ-CG 4.28Å; S935-M939 PolarHBondContact O-N 3.15Å; E936-M939 PolarHBondContact O-N 3.22Å; M939-R941 VanDerWaalsContact C-N 3.34Å; M939-R941 PolarHBondContact O-N 3.19Å; M939-W942 PolarHBondContact O-N 3.38Å; M939-N943 VanDerWaalsContact O-CG 3.24Å; M939-N943 PolarHBondContact O-N 3.38Å; M939-N943 PolarHBondContact O-ND2 3.42Å; M939-N943 VanDerWaalsContact O-ND2 3.15Å
940	V	78.7	Confident	68.4	Low	93 Å²	93	88.7 Å²	88.7	56%	0.564	49%	0.485	S	S	*	.	H	α-helix	trans	-62.2	-41.9	176.8	176.4	0	0	0	0	111.1	E936 W938	E936-V940 PolarHBondContact O-N 3.24Å; E936-V940 VanDerWaalsContact O-N 3.12Å; W938-V940 VanDerWaalsContact C-N 3.34Å
941	R	78.4	Confident	65.6	Low	87 Å²	87	93.6 Å²	93.6	33%	0.328	51%	0.512	S	S	.	.	H	α-helix	trans	-66.2	-42.9	174.3	-70.4	-175.6	176.6	102.6	-0.3	112.7	F915 L937 W938 M939 N943 N944	F915-R941 HydrophobicContact CE2-CG 4.39Å; L937-R941 PolarHBondContact O-N 2.94Å; W938-R941 HydrophobicContact CE3-CB 4.14Å; W938-R941 HydrophobicContact CE3-CG 4.49Å; W938-R941 PolarHBondContact O-N 3.01Å; M939-R941 VanDerWaalsContact C-N 3.34Å; M939-R941 PolarHBondContact O-N 3.19Å; R941-N943 VanDerWaalsContact C-N 3.3Å; R941-N943 PolarHBondContact O-N 2.94Å; R941-N944 PolarHBondContact O-N 3.11Å
942	W	79.3	Confident	63	Low	67 Å²	67	97.9 Å²	97.9	25%	0.254	53%	0.53	S	S	.	.	H	α-helix	trans	-58	-41.2	178.9	173.8	-93.5	0	0	0	112.5	F832 R856 D900 L902 W938 M939 N944 I945	F832-W942 HydrophobicContact CE1-CB 4.39Å; F832-W942 HydrophobicContact CZ-CB 4.01Å; F832-W942 HydrophobicContact CZ-CG 4.45Å; R856-W942 HydrophobicContact CB-CZ3 4.47Å; R856-W942 VanDerWaalsContact CD-CD2 3.47Å; R856-W942 VanDerWaalsContact CD-CE3 3.44Å; D900-W942 HydrophobicContact CB-CH2 4.04Å; D900-W942 HydrophobicContact CB-CZ3 3.72Å; D900-W942 WeakPolarHBondContact OD2-CH2 2.99Å; L902-W942 HydrophobicContact CD2-CE3 4.32Å; W938-W942 WeakPolarHBondContact O-CB 3.4Å; W938-W942 PolarHBondContact O-N 2.9Å; M939-W942 PolarHBondContact O-N 3.38Å; W942-N944 PolarHBondContact O-N 3.47Å; W942-N944 VanDerWaalsContact O-N 3.12Å; W942-I945 HydrophobicContact CD2-CD1 4.08Å; W942-I945 HydrophobicContact CE3-CD1 3.45Å; W942-I945 VanDerWaalsContact CE3-CD1 3.45Å; W942-I945 HydrophobicContact CZ3-CD1 3.84Å; W942-I945 WeakPolarHBondContact O-CG1 3.29Å; W942-I945 PolarHBondContact O-N 3.09Å
943	N	76	Confident	60.7	Low	117 Å²	117	98.9 Å²	98.9	63%	0.626	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-11.5	178.5	-67	-28.5	0	0	0	114.1	M939 R941	M939-N943 VanDerWaalsContact O-CG 3.24Å; M939-N943 PolarHBondContact O-N 3.38Å; M939-N943 PolarHBondContact O-ND2 3.42Å; M939-N943 VanDerWaalsContact O-ND2 3.15Å; R941-N943 VanDerWaalsContact C-N 3.3Å; R941-N943 PolarHBondContact O-N 2.94Å
944	N	69.4	Low	58.5	Low	125 Å²	125	100.5 Å²	100.5	67%	0.668	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	11.1	-179.3	-66.2	-10.9	0	0	0	113.3	R941 W942	R941-N944 PolarHBondContact O-N 3.11Å; W942-N944 PolarHBondContact O-N 3.47Å; W942-N944 VanDerWaalsContact O-N 3.12Å
945	I	66.6	Low	56.1	Low	34 Å²	34	105.8 Å²	105.8	17%	0.174	57%	0.57	C	S	.	*	P	Polyproline II helix	trans	-75.1	134.8	178.6	-65.6	173.8	0	0	0	110.8	L902 F915 W942	L902-I945 HydrophobicContact CD2-CD1 3.67Å; F915-I945 HydrophobicContact CB-CG1 4.4Å; W942-I945 HydrophobicContact CD2-CD1 4.08Å; W942-I945 HydrophobicContact CE3-CD1 3.45Å; W942-I945 VanDerWaalsContact CE3-CD1 3.45Å; W942-I945 HydrophobicContact CZ3-CD1 3.84Å; W942-I945 WeakPolarHBondContact O-CG1 3.29Å; W942-I945 PolarHBondContact O-N 3.09Å
946	L	50.8	Low	53.5	Low	122 Å²	122	113.2 Å²	113.2	64%	0.639	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-82.2	119.8	171.7	-86.9	158	0	0	0	110.7	M948	L946-M948 PolarHBondContact O-N 2.88Å
947	S	37.3	Very low	51.4	Low	120 Å²	120	112.5 Å²	112.5	84%	0.839	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-64	120.7	171.5	-55.7	0	0	0	0	111	S949	S947-S949 PolarHBondContact O-N 3.24Å
948	M	36.6	Very low	49.2	Very low	154 Å²	154	116.3 Å²	116.3	76%	0.759	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-74.8	118.1	161	-69.8	-176.9	64.3	0	0	108.9	L946	L946-M948 PolarHBondContact O-N 2.88Å
949	S	27	Very low	46.7	Very low	86 Å²	86	121.9 Å²	121.9	60%	0.601	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-78.8	133.2	156.5	72.4	0	0	0	0	108.2	S947 D951	S947-S949 PolarHBondContact O-N 3.24Å; S949-D951 WeakPolarHBondContact CB-OD2 3.32Å; S949-D951 PolarHBondContact OG-OD2 2.94Å
950	L	30.1	Very low	44.3	Very low	148 Å²	148	122 Å²	122	78%	0.775	67%	0.668	S	S	*	*			trans	-102.6	57.4	176.1	-160.6	73.5	0	0	0	109.5	N952	L950-N952 PolarHBondContact O-N 3.44Å; L950-N952 VanDerWaalsContact O-N 3.08Å
951	D	25.7	Very low	42.1	Very low	129 Å²	129	125.9 Å²	125.9	69%	0.69	68%	0.68	S	S	*	*			trans	-71.1	99.1	176.3	-65.6	-65	0	0	0	110	S949	S949-D951 WeakPolarHBondContact CB-OD2 3.32Å; S949-D951 PolarHBondContact OG-OD2 2.94Å
952	N	29.4	Very low	39.8	Very low	146 Å²	146	127.1 Å²	127.1	78%	0.781	69%	0.693	S	S	*	*			trans	-139.8	72.1	167.1	-93.1	-53	0	0	0	110.1	L950 V954	L950-N952 PolarHBondContact O-N 3.44Å; L950-N952 VanDerWaalsContact O-N 3.08Å; N952-V954 PolarHBondContact O-N 3.33Å
953	S	27.6	Very low	37.7	Very low	110 Å²	110	131 Å²	131	77%	0.769	71%	0.714	S	S	*	*			trans	-69.2	109.1	169	53.1	0	0	0	0	110.5	E955	S953-E955 PolarHBondContact O-N 2.89Å
954	V	30.1	Very low	35.7	Very low	136 Å²	136	130.9 Å²	130.9	82%	0.824	71%	0.713	S	S	*	*			trans	-81.8	98.4	164.3	179.4	0	0	0	0	107.8	N952 E956	N952-V954 PolarHBondContact O-N 3.33Å; V954-E956 PolarHBondContact O-N 2.69Å
955	E	29.8	Very low	34	Very low	169 Å²	169	131.8 Å²	131.8	79%	0.79	72%	0.718	S	S	*	*			trans	-74.2	110.1	167.7	-72.8	-165.2	140.8	0	0	109.9	S953 S957	S953-E955 PolarHBondContact O-N 2.89Å; E955-S957 PolarHBondContact O-N 3.29Å
956	E	28.1	Very low	32.6	Very low	184 Å²	184	134.2 Å²	134.2	86%	0.86	74%	0.738	S	S	*	*			trans	-68.5	125.1	157.1	-74.3	-165.9	115.7	0	0	109.2	V954	V954-E956 PolarHBondContact O-N 2.69Å
957	S	31.5	Very low	31.8	Very low	103 Å²	103	135.1 Å²	135.1	72%	0.72	74%	0.743	S	S	*	*			trans	-155.7	101.9	171.6	-87.4	0	0	0	0	112.4	E955	E955-S957 PolarHBondContact O-N 3.29Å
958	Q	35.4	Very low	31.8	Very low	180 Å²	180	135.4 Å²	135.4	84%	0.841	73%	0.734	S	S	*	*			trans	-136.3	139.8	155.4	-71.5	-161.9	0.9	0	0	110.4
959	N	30.9	Very low	31.8	Very low	149 Å²	149	134 Å²	134	80%	0.797	73%	0.73	S	S	*	*			trans	63.8	112.6	178.9	-53.9	-41.6	0	0	0	114.6
960	S	31.8	Very low	32.2	Very low	104 Å²	104	136.2 Å²	136.2	73%	0.727	74%	0.735	S	S	*	*			cis	-160.2	146.8	40.4	-58.1	0	0	0	0	113.4
961	Q	31.6	Very low	32.5	Very low	173 Å²	173	135.6 Å²	135.6	81%	0.808	73%	0.731	S	S	*	*			trans	41	123.6	146.2	-66	-177.2	-7.4	0	0	118.6
962	N	31.3	Very low	33	Very low	113 Å²	113	135.9 Å²	135.9	60%	0.604	73%	0.732	S	S	*	*			cis	-178.4	145.2	45.6	-114.4	-40.1	0	0	0	110.4
963	Q	34.1	Very low	33.2	Very low	148 Å²	148	134 Å²	134	69%	0.692	73%	0.731	S	S	*	*			trans	61.1	148	142	-61.9	175.3	46.5	0	0	119.9
964	N	33.8	Very low	33.5	Very low	115 Å²	115	134.8 Å²	134.8	62%	0.615	73%	0.733	S	S	*	*			cis	-165	144.3	-10.1	-105.5	-18.1	0	0	0	108.7
965	N	33.6	Very low	33.5	Very low	144 Å²	144	137.6 Å²	137.6	77%	0.77	73%	0.734	S	S	*	*			trans	54.3	144.7	144.6	-63.5	-13	0	0	0	121.1
966	S	38.4	Very low	33.5	Very low	85 Å²	85	138 Å²	138	59%	0.594	74%	0.74	S	S	*	*			cis	-178.7	154.5	-5.9	49.7	0	0	0	0	111.1
967	N	33.3	Very low	33.4	Very low	141 Å²	141	133.7 Å²	133.7	75%	0.754	73%	0.73	S	S	*	*			trans	70.8	151.3	146.6	-66.8	4.9	0	0	0	118.3
968	I	37.9	Very low	33.2	Very low	127 Å²	127	134.5 Å²	134.5	65%	0.651	73%	0.731	S	S	*	*			cis	-151.5	139.3	4	-127.7	161.9	0	0	0	113.1
969	D	36.5	Very low	32.8	Very low	124 Å²	124	135.4 Å²	135.4	66%	0.663	73%	0.732	S	S	*	*			trans	51.4	142.3	144.3	-57.1	-5.2	0	0	0	127.5
970	N	34.5	Very low	32.8	Very low	133 Å²	133	136.9 Å²	136.9	71%	0.711	73%	0.734	S	S	*	*			trans	78.9	140.2	137.2	-73.2	-15.9	0	0	0	120.9
971	I	36.9	Very low	32.6	Very low	134 Å²	134	139 Å²	139	69%	0.687	74%	0.737	S	S	*	*			cis	-159.9	170.6	-6.3	-130.4	164.3	0	0	0	112
972	N	36.6	Very low	32.6	Very low	135 Å²	135	139.5 Å²	139.5	72%	0.722	74%	0.739	S	S	*	*			trans	80.3	89.5	167.8	-75.6	-26.3	0	0	0	121.2
973	S	33.2	Very low	32.6	Very low	106 Å²	106	139.1 Å²	139.1	74%	0.741	74%	0.741	S	S	*	*				52.4	146.6	104.4	-55.7	0	0	0	0	122.7
974	P	35.1	Very low	32.4	Very low	127 Å²	127	138 Å²	138	83%	0.825	74%	0.744	S	S	*	*			cis	-135.6	178.8	-20.2	39.6	-21.2	0	0	0	115.4
975	K	29.2	Very low	32.1	Very low	195 Å²	195	139.4 Å²	139.4	85%	0.848	75%	0.751	S	S	*	*			trans	-67.3	155.9	179.2	-52.6	166.8	-178.5	175.8	0	113.6
976	I	29.1	Very low	31.9	Very low	177 Å²	177	139.4 Å²	139.4	91%	0.908	75%	0.751	S	S	*	*				-165.5	160.5	117.8	-101.5	159.5	0	0	0	111
977	S	26.9	Very low	31.9	Very low	94 Å²	94	143 Å²	143	66%	0.657	76%	0.758	S	S	*	*			trans	-100.6	177.7	-167.6	-166.6	0	0	0	0	114.1
978	T	26.6	Very low	32.1	Very low	121 Å²	121	143.2 Å²	143.2	74%	0.742	75%	0.754	S	S	*	*			trans	66.1	123.6	164.8	61.5	0	0	0	0	119.1
979	K	28	Very low	32	Very low	198 Å²	198	143.8 Å²	143.8	86%	0.861	75%	0.754	S	S	*	*				-172.7	146.7	117.5	-103	163	-174.8	178.4	0	113.3
980	Q	29.6	Very low	31.7	Very low	180 Å²	180	143.4 Å²	143.4	84%	0.841	75%	0.752	S	S	*	*			trans	-70.9	151.6	157.6	-60.4	162.3	-59.9	0	0	109.4
981	L	28.9	Very low	31.5	Very low	150 Å²	150	143.1 Å²	143.1	79%	0.785	75%	0.75	S	S	*	*			trans	-141.3	97.1	161.4	-79.9	179.2	0	0	0	112
982	H	31.9	Very low	31.1	Very low	183 Å²	183	143.3 Å²	143.3	85%	0.847	75%	0.753	S	S	*	*			trans	-80.4	135.4	139.3	-78.4	-106.3	0	0	0	108
983	T	29.8	Very low	30.6	Very low	105 Å²	105	143.9 Å²	143.9	64%	0.644	76%	0.755	S	S	*	*			trans	-165.1	112.8	156.5	27.2	0	0	0	0	108
984	T	30	Very low	30.4	Very low	124 Å²	124	144.3 Å²	144.3	76%	0.761	75%	0.753	S	S	*	*				61.9	133.9	78.4	67.1	0	0	0	0	115.5
985	L	29	Very low	30.1	Very low	145 Å²	145	144.6 Å²	144.6	76%	0.759	75%	0.748	S	S	*	*			trans	-122.1	125.7	166.2	-145.8	163.7	0	0	0	107.7
986	N	28.7	Very low	30.2	Very low	144 Å²	144	142.2 Å²	142.2	77%	0.77	74%	0.744	S	S	*	*			trans	-147.7	135.4	-165.8	-144.5	-0.6	0	0	0	110.9
987	H	38.2	Very low	30.3	Very low	161 Å²	161	139.7 Å²	139.7	75%	0.745	74%	0.741	S	S	*	*			trans	-154.3	142.2	-179.4	-95.4	34.2	0	0	0	109.1
988	H	37.2	Very low	30.8	Very low	145 Å²	145	139.7 Å²	139.7	67%	0.671	74%	0.739	S	S	*	*			cis	-158.6	143.2	-13.4	-142.9	78.1	0	0	0	110.9
989	H	35.6	Very low	31.1	Very low	139 Å²	139	140.9 Å²	140.9	64%	0.644	74%	0.74	S	S	*	*			trans	27.8	123.5	161.1	-82.4	-42	0	0	0	125.6
990	N	30.4	Very low	31.4	Very low	115 Å²	115	138.3 Å²	138.3	62%	0.615	74%	0.736	S	S	*	*				74.9	118.4	119.1	-66.3	9.5	0	0	0	124.6
991	N	30.3	Very low	31.7	Very low	127 Å²	127	134.1 Å²	134.1	68%	0.679	72%	0.723	S	S	*	*				70.3	117.7	121.2	-59.5	-3.6	0	0	0	123
992	N	29.1	Very low	32	Very low	138 Å²	138	132.7 Å²	132.7	74%	0.738	72%	0.716	S	S	*	*				84.6	133.8	128.5	-74.3	-6.9	0	0	0	122.4
993	L	26.9	Very low	32.1	Very low	148 Å²	148	132.1 Å²	132.1	78%	0.775	71%	0.711	S	S	*	*			trans	74.1	103.4	150.4	-93.6	74.5	0	0	0	120.3
994	V	27.7	Very low	32.3	Very low	114 Å²	114	132.2 Å²	132.2	69%	0.691	72%	0.715	S	S	*	*				86	123.6	115.1	163.7	0	0	0	0	120.1
995	N	28.1	Very low	32.2	Very low	134 Å²	134	132.9 Å²	132.9	72%	0.717	72%	0.72	S	S	*	*			trans	84.9	128.4	152.8	-74.7	-1.8	0	0	0	122.7
996	N	32.1	Very low	32.3	Very low	144 Å²	144	135.1 Å²	135.1	77%	0.77	72%	0.723	S	S	*	*			trans	82.1	91.6	141.6	-59.8	-0.4	0	0	0	120.9
997	C	30.9	Very low	32.3	Very low	124 Å²	124	133.6 Å²	133.6	84%	0.838	72%	0.724	S	S	*	*				-27.5	171.3	124.1	-99	0	0	0	0	116.8
998	P	37.5	Very low	31.8	Very low	95 Å²	95	130.9 Å²	130.9	62%	0.617	72%	0.722	S	S	*	*			cis	-139.8	-172.6	17.2	44.1	-26.3	0	0	0	116.8
999	D	33.7	Very low	31.4	Very low	146 Å²	146	132.3 Å²	132.3	78%	0.781	73%	0.729	S	S	*	*			trans	62.7	147.9	150.9	-56.6	-24.5	0	0	0	120.6
1000	D	33.9	Very low	31.1	Very low	143 Å²	143	132.6 Å²	132.6	77%	0.765	73%	0.734	S	S	*	*			cis	-167.9	-174.2	-28.4	-154.2	14.4	0	0	0	105.3
1001	V	36.9	Very low	31.2	Very low	93 Å²	93	134.9 Å²	134.9	56%	0.564	74%	0.744	S	S	*	*			cis	-159.6	147.5	5.7	69.2	0	0	0	0	111.5
1002	N	34.6	Very low	31.3	Very low	120 Å²	120	135.7 Å²	135.7	64%	0.642	75%	0.749	S	S	*	*			trans	60.6	143.9	159.9	-78.1	-34.8	0	0	0	119.2
1003	K	34.2	Very low	31.5	Very low	171 Å²	171	132.4 Å²	132.4	74%	0.743	75%	0.748	S	S	*	*			cis	-161.1	155	-6.5	-135.7	162	-165.9	166.8	0	112.8
1004	S	33.1	Very low	31.8	Very low	106 Å²	106	132.9 Å²	132.9	74%	0.741	75%	0.746	S	S	*	*			trans	50.1	84.4	156.1	57	0	0	0	0	118.5
1005	T	27.8	Very low	32.2	Very low	138 Å²	138	135.2 Å²	135.2	85%	0.847	76%	0.755	S	S	*	*			trans	-42.7	143.7	140.5	36.4	0	0	0	0	113.6
1006	K	32.4	Very low	32.2	Very low	193 Å²	193	139.1 Å²	139.1	84%	0.839	76%	0.761	S	S	*	*			trans	-159.4	80.3	139.9	-117.2	176.9	-176.3	-176.3	0	112.1
1007	S	27	Very low	32.1	Very low	112 Å²	112	138.8 Å²	138.8	78%	0.783	76%	0.758	S	S	*	*			trans	-73.3	140.6	149.9	178.8	0	0	0	0	108
1008	C	27.7	Very low	32.1	Very low	104 Å²	104	140.2 Å²	140.2	70%	0.703	75%	0.752	S	S	*	*			trans	-133	137.4	169.1	-72.5	0	0	0	0	109.3
1009	H	29.7	Very low	31.8	Very low	175 Å²	175	144.4 Å²	144.4	81%	0.81	77%	0.768	S	S	*	*			trans	-67.9	162.7	-173.6	-84	-98.1	0	0	0	113.5
1010	L	28.4	Very low	31.6	Very low	145 Å²	145	144.8 Å²	144.8	76%	0.759	77%	0.765	S	S	*	*			trans	-49.3	138.8	154.4	-76.7	63.3	0	0	0	109.8
1011	I	33.5	Very low	31.4	Very low	162 Å²	162	142.5 Å²	142.5	83%	0.831	76%	0.76	S	S	*	*			trans	-129.8	96.3	156.2	-60.2	178.8	0	0	0	104.7
1012	D	32.1	Very low	31.3	Very low	145 Å²	145	147.6 Å²	147.6	78%	0.775	78%	0.775	S	S	*	*			trans	-76.3	135.8	166.2	-69.7	-59.7	0	0	0	108.5
1013	G	34.3	Very low	31.1	Very low	69 Å²	69	148 Å²	148	71%	0.711	78%	0.782	S	S	*	*			trans	172.4	95.9	-174	0	0	0	0	0	111.3
1014	E	32.7	Very low	30.9	Very low	157 Å²	157	147.6 Å²	147.6	73%	0.734	79%	0.786	S	S	*	*			trans	9.2	105.3	164.7	-61.7	177	168.3	0	0	117.6	Q364	Q364-E1014 PolarHBondContact NE2-OE1 3.3Å; Q364-E1014 PolarHBondContact NE2-OE2 2.73Å
1015	D	36	Very low	30.8	Very low	164 Å²	164	148 Å²	148	88%	0.877	79%	0.786	S	S	*	*			trans	-150.9	157.6	142.1	-138.1	-25.5	0	0	0	112.3
1016	Y	28.1	Very low	30.8	Very low	215 Å²	215	146.9 Å²	146.9	84%	0.843	78%	0.784	S	S	*	*			trans	-85.7	170.5	177.9	-127	-110.4	0	0	0	110.3
1017	I	30.2	Very low	30.6	Very low	138 Å²	138	142.6 Å²	142.6	71%	0.708	78%	0.779	S	S	*	*			trans	98.2	138.2	163.3	-56.5	154.1	0	0	0	118.3
1018	Q	31.2	Very low	30.9	Very low	153 Å²	153	145.9 Å²	145.9	72%	0.715	78%	0.782	S	S	*	*			trans	66.8	96.9	161.4	-81	158.3	6.1	0	0	120.8	H1020	Q1018-H1020 VanDerWaalsContact C-N 3.33Å; Q1018-H1020 PolarHBondContact O-N 3.44Å
1019	L	29.4	Very low	30.9	Very low	183 Å²	183	147 Å²	147	96%	0.958	79%	0.785	S	S	*	*			trans	-57	94.6	141	-82.8	166.4	0	0	0	110	S1021	L1019-S1021 PolarHBondContact O-N 3.17Å; L1019-S1021 VanDerWaalsContact O-N 3.16Å
1020	H	31.1	Very low	31	Very low	154 Å²	154	144.9 Å²	144.9	71%	0.713	78%	0.784	S	S	*	*			trans	-76.8	104	-179.3	-141.5	-60.8	0	0	0	110.8	Q1018 K1022	Q1018-H1020 VanDerWaalsContact C-N 3.33Å; Q1018-H1020 PolarHBondContact O-N 3.44Å; H1020-K1022 PolarHBondContact O-N 3.19Å
1021	S	30	Very low	31.1	Very low	96 Å²	96	145 Å²	145	67%	0.671	78%	0.781	S	S	*	*			trans	-61.4	105.6	175.8	57	0	0	0	0	110.8	L1019 V1023	L1019-S1021 PolarHBondContact O-N 3.17Å; L1019-S1021 VanDerWaalsContact O-N 3.16Å; S1021-V1023 PolarHBondContact O-N 3.01Å
1022	K	33.4	Very low	31	Very low	199 Å²	199	143.9 Å²	143.9	87%	0.865	78%	0.781	S	S	*	*			trans	-74.7	104.7	168.1	-84.5	-173.2	175.3	176.7	0	109.3	H1020 L1024	H1020-K1022 PolarHBondContact O-N 3.19Å; K1022-L1024 PolarHBondContact O-N 3.31Å
1023	V	30.2	Very low	31	Very low	130 Å²	130	145.4 Å²	145.4	79%	0.788	78%	0.781	S	S	*	*			trans	-59.4	115.7	174.2	178.3	0	0	0	0	109.7	S1021	S1021-V1023 PolarHBondContact O-N 3.01Å
1024	L	31.3	Very low	31	Very low	161 Å²	161	146.9 Å²	146.9	84%	0.843	78%	0.781	S	S	*	*			trans	-107.3	145.7	156.8	-125.2	67.7	0	0	0	107.6	K1022	K1022-L1024 PolarHBondContact O-N 3.31Å
1025	P	30.2	Very low	31.5	Very low	114 Å²	114	145.6 Å²	145.6	74%	0.74	79%	0.786	S	S	*	*			trans	-81.6	150.4	-152.2	30.9	-35.5	0	0	0	114.2	S1027	P1025-S1027 PolarHBondContact O-N 2.86Å
1026	S	27.6	Very low	31.3	Very low	115 Å²	115	143 Å²	143	80%	0.804	78%	0.776	S	S	*	*			trans	-62.9	117.1	168.1	53	0	0	0	0	112.1
1027	S	29.3	Very low	31.5	Very low	103 Å²	103	138.9 Å²	138.9	72%	0.72	78%	0.777	S	S	*	*			trans	175.4	120.2	138.8	-82.5	0	0	0	0	111.9	P1025	P1025-S1027 PolarHBondContact O-N 2.86Å
1028	H	31.9	Very low	31.5	Very low	182 Å²	182	139.7 Å²	139.7	84%	0.843	78%	0.778	S	S	*	*				-175.5	93.5	114.6	-98.8	-61.7	0	0	0	111.4	V1030	H1028-V1030 PolarHBondContact O-N 2.97Å
1029	T	29	Very low	31.8	Very low	127 Å²	127	139.9 Å²	139.9	78%	0.779	78%	0.782	S	S	*	*			trans	-66.3	116.3	165	-51.9	0	0	0	0	109.5	Q1031	T1029-Q1031 PolarHBondContact O-N 3.21Å
1030	V	31.3	Very low	32.1	Very low	130 Å²	130	139 Å²	139	79%	0.788	77%	0.772	S	S	*	*			trans	-75.2	93.9	172.2	179.7	0	0	0	0	109.1	H1028 V1032	H1028-V1030 PolarHBondContact O-N 2.97Å; V1030-V1032 PolarHBondContact O-N 3.4Å
1031	Q	29.9	Very low	32.3	Very low	147 Å²	147	136.3 Å²	136.3	69%	0.687	77%	0.771	S	S	*	*			trans	-71.3	109.1	171.2	-73.3	-171.1	-11.7	0	0	111	T1029 K1033	T1029-Q1031 PolarHBondContact O-N 3.21Å; Q1031-K1033 PolarHBondContact O-N 3.39Å
1032	V	32.9	Very low	32.7	Very low	140 Å²	140	137.2 Å²	137.2	85%	0.848	78%	0.777	S	S	*	*			trans	-81.2	109.1	157.1	-179.6	0	0	0	0	107.6	V1030 S1034	V1030-V1032 PolarHBondContact O-N 3.4Å; V1032-S1034 PolarHBondContact O-N 2.92Å
1033	K	31.1	Very low	33.3	Very low	177 Å²	177	133.3 Å²	133.3	77%	0.77	77%	0.772	S	S	*	*			trans	-78.8	117.3	-170.6	-66.2	175.2	179.7	174.5	0	112.4	Q1031	Q1031-K1033 PolarHBondContact O-N 3.39Å
1034	S	34.1	Very low	33.7	Very low	100 Å²	100	132.1 Å²	132.1	70%	0.699	77%	0.77	S	S	*	*			trans	-82.7	133.3	156.5	53.3	0	0	0	0	110.4	V1032 T1036	V1032-S1034 PolarHBondContact O-N 2.92Å; S1034-T1036 PolarHBondContact O-N 2.92Å
1035	P	42.9	Very low	34	Very low	130 Å²	130	132.8 Å²	132.8	84%	0.844	77%	0.769	S	S	*	*			trans	-77.1	114.8	-178.7	29.9	-33.3	0	0	0	111.8
1036	T	31.7	Very low	34.3	Very low	109 Å²	109	131.5 Å²	131.5	67%	0.669	76%	0.762	S	S	*	*			trans	-78.7	144.2	170.5	-58.7	0	0	0	0	110.6	S1034	S1034-T1036 PolarHBondContact O-N 2.92Å
1037	C	32	Very low	34.8	Very low	128 Å²	128	133.3 Å²	133.3	87%	0.865	76%	0.761	S	S	*	*			trans	-129.5	146.4	154.6	-145.9	0	0	0	0	109.2
1038	H	31.9	Very low	35.2	Very low	156 Å²	156	138 Å²	138	72%	0.722	77%	0.769	S	S	*	*			trans	-95.1	-170.1	-162.3	-72.1	-78.1	0	0	0	114.1
1039	I	36.2	Very low	35.3	Very low	157 Å²	157	136.9 Å²	136.9	81%	0.805	77%	0.768	S	S	*	*			trans	101.1	124.4	160.3	-55.3	160.7	0	0	0	114.4
1040	H	35.8	Very low	35.9	Very low	163 Å²	163	135.7 Å²	135.7	76%	0.755	76%	0.763	S	S	*	*			cis	-169.9	165.1	-24.5	-130.5	-87.8	0	0	0	110.4
1041	S	36.2	Very low	36.5	Very low	98 Å²	98	138.3 Å²	138.3	69%	0.685	77%	0.766	S	S	*	*			trans	73.7	89.1	151.2	-55.9	0	0	0	0	122.3
1042	S	37.3	Very low	37.2	Very low	115 Å²	115	136.3 Å²	136.3	80%	0.804	77%	0.766	S	S	*	*				-13.5	-180	126.9	-33	0	0	0	0	120.8
1043	P	46.6	Very low	37.4	Very low	117 Å²	117	134.1 Å²	134.1	76%	0.76	76%	0.757	S	S	*	*				-139.6	-140.1	-75.9	44.6	-23.8	0	0	0	112.7
1044	S	37.5	Very low	37.7	Very low	105 Å²	105	133.4 Å²	133.4	73%	0.734	76%	0.76	S	S	*	*			trans	85.6	148.9	169	81.3	0	0	0	0	117.2
1045	E	37.7	Very low	37.9	Very low	175 Å²	175	132.5 Å²	132.5	82%	0.818	75%	0.754	S	S	*	*			cis	-156.7	156.1	-3	-136.2	169.4	-160.1	0	0	115.7
1046	S	37.6	Very low	37.7	Very low	87 Å²	87	133 Å²	133	61%	0.608	75%	0.749	S	S	*	*			trans	38.6	117.6	150.2	67.9	0	0	0	0	125.9
1047	I	37.9	Very low	38.1	Very low	153 Å²	153	134.7 Å²	134.7	79%	0.785	76%	0.755	S	S	*	*				54.9	114	117.1	-56.3	158.5	0	0	0	120.4
1048	K	37.9	Very low	38.5	Very low	202 Å²	202	132.7 Å²	132.7	88%	0.878	74%	0.739	S	S	*	*				178.4	154.9	101.6	-127.8	151.5	-172.1	173.9	0	115.1
1049	L	33.3	Very low	38.9	Very low	159 Å²	159	133.3 Å²	133.3	83%	0.832	74%	0.739	S	S	*	*			trans	-98.3	178.4	165.9	-72.3	156.9	0	0	0	109.1
1050	P	42.7	Very low	39.2	Very low	101 Å²	101	133.8 Å²	133.8	66%	0.656	74%	0.737	S	S	*	*			cis	-145.2	168.9	11.2	44.1	-25.3	0	0	0	119.5
1051	H	42.4	Very low	39.4	Very low	185 Å²	185	130.8 Å²	130.8	86%	0.856	74%	0.735	S	S	*	*			trans	65.9	160.6	142	-77.2	-48.4	0	0	0	123.1
1052	P	44.6	Very low	39.6	Very low	106 Å²	106	130.2 Å²	130.2	69%	0.688	74%	0.736	S	S	*	*			trans	-133.3	-180	-141.5	46	-31.3	0	0	0	116.5
1053	S	37.2	Very low	39.7	Very low	94 Å²	94	129.6 Å²	129.6	66%	0.657	73%	0.732	S	S	*	*				158.6	150.5	121.3	53.4	0	0	0	0	113.8
1054	L	37.5	Very low	39.3	Very low	161 Å²	161	131 Å²	131	84%	0.843	73%	0.733	S	S	*	*			trans	62.6	152.9	167.3	-59.4	134.8	0	0	0	117.1
1055	S	39.2	Very low	39.2	Very low	81 Å²	81	133.3 Å²	133.3	57%	0.566	74%	0.737	S	S	*	*			cis	-160.1	174.2	-28.7	59.2	0	0	0	0	110.1
1056	D	38.8	Very low	39.4	Very low	140 Å²	140	130.4 Å²	130.4	75%	0.749	73%	0.734	S	S	*	*			trans	66.9	94.1	150.9	-49.9	-35.2	0	0	0	122.8
1057	D	39.6	Very low	39.3	Very low	146 Å²	146	132.3 Å²	132.3	78%	0.781	74%	0.741	S	S	*	*				90.2	156	105.2	-150.5	16.9	0	0	0	122.8
1058	T	40.1	Very low	39.2	Very low	86 Å²	86	131 Å²	131	53%	0.528	74%	0.74	S	S	.	*			trans	87.3	102.4	160.8	61.8	0	0	0	0	123.1
1059	K	40.9	Very low	39	Very low	169 Å²	169	126.1 Å²	126.1	74%	0.735	73%	0.732	S	S	*	*			trans	65.5	133.6	131.6	-53	158.6	-171.4	156.9	0	118
1060	H	42.5	Very low	39.1	Very low	166 Å²	166	129.9 Å²	129.9	77%	0.769	74%	0.735	S	S	*	*				-163.5	161.7	63.5	-105.4	-83.8	0	0	0	115.9
1061	S	39.2	Very low	38.5	Very low	101 Å²	101	133.8 Å²	133.8	71%	0.706	74%	0.744	S	S	*	*			trans	-31.5	166.3	160.7	47.1	0	0	0	0	120.7
1062	A	41	Very low	38.6	Very low	86 Å²	86	129.6 Å²	129.6	71%	0.711	73%	0.734	S	S	*	*			cis	179.1	156.6	-21.1	0	0	0	0	0	112.7
1063	S	39.9	Very low	38.3	Very low	101 Å²	101	132.6 Å²	132.6	71%	0.706	74%	0.738	S	S	*	*			trans	79.8	143.4	148.5	83.8	0	0	0	0	123.4
1064	N	39	Very low	38.4	Very low	146 Å²	146	134.8 Å²	134.8	78%	0.781	74%	0.738	S	S	*	*			trans	75.4	103.1	144.5	-59.1	-17	0	0	0	123.6
1065	N	34.7	Very low	38.4	Very low	155 Å²	155	133.7 Å²	133.7	83%	0.829	73%	0.733	S	S	*	*				11.4	158.6	113.9	-70.5	-11.5	0	0	0	120.6
1066	P	40.8	Very low	38.4	Very low	114 Å²	114	134.3 Å²	134.3	74%	0.74	74%	0.737	S	S	*	*			cis	-139.6	170.1	8	36.6	-15.6	0	0	0	118.8
1067	V	35.2	Very low	38.4	Very low	127 Å²	127	135.7 Å²	135.7	77%	0.77	74%	0.739	S	S	*	*			trans	1.2	125.4	146.4	-171.1	0	0	0	0	120.2
1068	T	37.2	Very low	38.3	Very low	124 Å²	124	133.6 Å²	133.6	76%	0.761	74%	0.735	S	S	*	*				-179.7	121.4	119.2	23	0	0	0	0	117.7
1069	S	32.3	Very low	38.2	Very low	100 Å²	100	136.5 Å²	136.5	70%	0.699	75%	0.746	S	S	*	*			trans	75.5	156.9	137.4	82.8	0	0	0	0	124.1
1070	R	36.2	Very low	38.1	Very low	239 Å²	239	134.7 Å²	134.7	90%	0.902	74%	0.74	S	S	*	*			trans	90.5	95.7	157.8	-65	179.7	-176	-146	-1.8	121.6
1071	Q	30.4	Very low	37.9	Very low	183 Å²	183	133.5 Å²	133.5	86%	0.855	74%	0.735	S	S	*	*			trans	-58.4	-174.3	143.7	-110.5	-174.9	-4.1	0	0	113.5
1072	P	43.9	Very low	37.7	Very low	97 Å²	97	138.7 Å²	138.7	63%	0.63	74%	0.739	S	S	*	*			cis	-134.8	-175.1	-22.1	37.6	-19.9	0	0	0	113.3
1073	H	38.9	Very low	37.6	Very low	168 Å²	168	143.9 Å²	143.9	78%	0.778	75%	0.748	S	S	*	*			trans	168.3	153.7	150.8	-91.6	-71.3	0	0	0	108.7
1074	Q	39.7	Very low	37.4	Very low	141 Å²	141	146.2 Å²	146.2	66%	0.659	75%	0.747	S	S	*	*			cis	-168.2	156.1	-29.8	-142.9	177.3	9	0	0	110.2
1075	N	37.6	Very low	37.2	Very low	137 Å²	137	149 Å²	149	73%	0.733	75%	0.753	S	S	*	*			trans	67.5	154.4	158.5	-62.8	-23.5	0	0	0	121
1076	S	38.8	Very low	37.1	Very low	95 Å²	95	151.8 Å²	151.8	66%	0.664	75%	0.751	S	S	*	*			cis	-170.2	166.3	-32.7	-154	0	0	0	0	112.4
1077	Q	38.4	Very low	36.8	Very low	168 Å²	168	157 Å²	157	79%	0.785	76%	0.758	S	S	*	*			trans	68.3	114.9	167.4	-60.2	171.1	6.7	0	0	116.1
1078	C	37	Very low	36.8	Very low	102 Å²	102	158.7 Å²	158.7	69%	0.689	76%	0.757	S	S	*	*				73.9	148	61	-60.6	0	0	0	0	112.8
1079	L	38.1	Very low	36.7	Very low	148 Å²	148	161.7 Å²	161.7	78%	0.775	76%	0.762	S	S	*	*			cis	-141.3	171.5	25.2	-83.1	88.4	0	0	0	110.6
1080	H	39	Very low	36.9	Very low	130 Å²	130	165.4 Å²	165.4	60%	0.602	77%	0.774	S	S	*	*			cis	-172.8	154.3	-23.5	-105.4	8.5	0	0	0	111.8
1081	H	38	Very low	36.8	Very low	141 Å²	141	159.4 Å²	159.4	65%	0.653	77%	0.768	S	S	*	*			trans	71.2	151.3	150	-75	44.7	0	0	0	119.1
1082	R	35.2	Very low	37.3	Very low	211 Å²	211	160.4 Å²	160.4	80%	0.796	77%	0.77	S	S	*	*			cis	-154.7	129.6	5.5	-143	175.2	-161.6	166.4	4.1	112.4
1083	H	38.7	Very low	36.8	Very low	194 Å²	194	159.9 Å²	159.9	90%	0.898	77%	0.774	S	S	*	*			trans	-174.9	120	131.1	-113.5	-84.1	0	0	0	110.1
1084	H	36.6	Very low	36.7	Very low	151 Å²	151	159 Å²	159	70%	0.699	77%	0.774	S	S	*	*			trans	-100.9	127.6	-172.1	-110.1	-61.4	0	0	0	112.2
1085	K	35.1	Very low	36.3	Very low	205 Å²	205	161.6 Å²	161.6	89%	0.891	79%	0.787	S	S	*	*			trans	-84.1	147.9	136.1	-74.7	-179.1	177.3	176.3	0	108
1086	R	33	Very low	36.3	Very low	212 Å²	212	161.3 Å²	161.3	80%	0.8	79%	0.789	S	S	*	*			trans	-139.1	128.7	170.5	-93.9	-170.7	-178.1	179.7	-0.2	109.2
1087	Y	33.9	Very low	36.1	Very low	223 Å²	223	161.7 Å²	161.7	88%	0.875	79%	0.79	S	S	*	*			trans	-146.5	147.1	161.1	-99.4	-82.8	0	0	0	107.2
1088	H	35.1	Very low	36.3	Very low	164 Å²	164	159.7 Å²	159.7	76%	0.759	78%	0.783	S	S	*	*			trans	53.4	106.5	178	-70.9	-79.8	0	0	0	117.6
1089	E	35.9	Very low	36.1	Very low	186 Å²	186	159.1 Å²	159.1	87%	0.869	79%	0.786	S	S	*	*				-164.7	137	97.8	-106.1	-163.2	141.6	0	0	111.4
1090	L	36.5	Very low	35.9	Very low	179 Å²	179	161 Å²	161	94%	0.937	79%	0.79	S	S	*	*			trans	-171.6	104.7	151.5	-111.4	167.6	0	0	0	108
1091	S	33.7	Very low	35.6	Very low	112 Å²	112	161.3 Å²	161.3	78%	0.783	80%	0.802	S	S	*	*			trans	-118.8	112.9	172.5	-176.7	0	0	0	0	109.3
1092	K	39.9	Very low	35.5	Very low	205 Å²	205	162.4 Å²	162.4	89%	0.891	81%	0.809	S	S	*	*			trans	-166.3	157.7	159.7	-108.5	157	-172.9	176.2	0	109.1
1093	A	34.3	Very low	35.5	Very low	86 Å²	86	159.8 Å²	159.8	71%	0.711	81%	0.81	S	S	*	*			trans	-55.2	138.2	-170.5	0	0	0	0	0	113.5
1094	D	36.3	Very low	35.4	Very low	148 Å²	148	157.9 Å²	157.9	79%	0.791	81%	0.805	S	S	*	*				-166.1	176.9	101.5	-86.3	-21.8	0	0	0	110.1	V1096	D1094-V1096 PolarHBondContact O-N 2.59Å; D1094-V1096 VanDerWaalsContact O-N 3.16Å
1095	E	31.3	Very low	35.3	Very low	196 Å²	196	158.3 Å²	158.3	92%	0.916	81%	0.811	S	S	*	*			trans	-66.6	107.3	-174.4	-62.1	-178.5	123	0	0	112.3	P1097	E1095-P1097 WeakPolarHBondContact O-CD 3.3Å
1096	V	38.2	Very low	35.3	Very low	131 Å²	131	155.4 Å²	155.4	79%	0.794	81%	0.806	S	S	*	*			trans	-75.7	120.5	175	-179.2	0	0	0	0	110	D1094	D1094-V1096 PolarHBondContact O-N 2.59Å; D1094-V1096 VanDerWaalsContact O-N 3.16Å
1097	P	33.6	Very low	35.5	Very low	103 Å²	103	151.6 Å²	151.6	67%	0.669	81%	0.806	S	S	*	*			trans	-73	147.2	-179.6	29.6	-34.4	0	0	0	112.2	E1095 A1099	E1095-P1097 WeakPolarHBondContact O-CD 3.3Å; P1097-A1099 PolarHBondContact O-N 3.02Å
1098	I	43.6	Very low	35.6	Very low	127 Å²	127	146.5 Å²	146.5	65%	0.651	80%	0.802	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	8.9	-174	-78.3	151.7	0	0	0	116.2	L226	L226-I1098 HydrophobicContact CD1-CD1 3.79Å; L226-I1098 HydrophobicContact CD1-CG1 4.18Å; L226-I1098 HydrophobicContact CD1-CG2 3.86Å; L226-I1098 HydrophobicContact CD2-CG2 3.43Å; L226-I1098 VanDerWaalsContact CD2-CG2 3.43Å; L226-I1098 HydrophobicContact CG-CG2 4.29Å
1099	A	33	Very low	35.6	Very low	90 Å²	90	145.2 Å²	145.2	74%	0.744	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.7	5.4	-163	0	0	0	0	0	116.5	P1097	P1097-A1099 PolarHBondContact O-N 3.02Å
1100	E	33.9	Very low	35.6	Very low	186 Å²	186	141.8 Å²	141.8	87%	0.869	80%	0.799	S	S	*	*			trans	-131	29.9	-170.6	-115.3	170.2	-154.7	0	0	115
1101	V	32.8	Very low	35.5	Very low	138 Å²	138	138.4 Å²	138.4	84%	0.836	79%	0.787	S	S	*	*			trans	-138.7	0	171	-149.1	0	0	0	0	111.2	N233	N233-V1101 HydrophobicContact CB-CG1 4.21Å; N233-V1101 VanDerWaalsContact ND2-CG1 3.34Å; N233-V1101 WeakPolarHBondContact ND2-CG1 3.49Å

Retrieved 1,101 of 1,101 residues in 435.1 ms (Link to these results)

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