A0A5K4F1D5_SCHMA Loading...

Otopetrin

AlphaFold DB , UniProt , Accession A0A5K4F1D5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,044 aa.

						>A0A5K4F1D5_SCHMA|A0A5K4F1D5
MSVKEQNNDTENYVDTSMAPRKNRQNDRQTICLLYASSVVAASLSIAVASMQYAEEVDQQTITAKWGRPLFSSSLYATCCLLLIIMAGYFEFHRMETFEAVYRGTGPVPFSVKFSVKGEKVNLYLRLGLAMFGLMSIGHVAVKCVEEAEITDAVFNLYLKSILEMAFYVLQTLFILRYHRLVILQYNEVMGAFLVHLLTTNLCIWADISVGKIDKTLWYGNQKKSSEHTYNRSEMNNNLTLLDNRTHLYNLVDISFYLLPTVSEYCLLAAALLYEIIMRIGQPTFIEIERPHDLKKDHKILRDCRGWSTSSGAWFGIITVLIIIALTTLTVSAPNHIDLKQNLWKCIVVLAEEAILSLFGILFVLMAFYQTRRLKFSIATRQSRVDEFLLYTAFFFAANYTITTIILAADLEAKGNGISNTSGSEKHLLIGRCLVDAFEFIQMVLQTYFVQDSFYRCSDRIEQQIVKPGRQSIVALLGINLALWIQKSFQLKSADILFMLETNRGTYGWILFVVTMPISLFYRYHCTVCLSQCFNKLYEDETHRFEEMWRHQVDPFTDILVRSTDSFSEYEQAKTSLKPTSEVQVTIENDDRQNRKLAVFSKTKPWRTFDLTDETENDGKATLMGQNHHVHNKLQVNKNGHDENIPMGNSIQDDENYLKPNKQLSDSEIHTESQNQDNLRCDSNVSAHDDEDKSPKASKTPEICLSDTSAVITQKNDDHLTKDRLTSARNSYTCLATRRYSLVILPSDQHSSKNEEFNAVTIDSKTFDKNLQDHLSGVRQTPERRQVRRRRTLKNLETAKHRVLAAELAHRMVIERTSGASPSAYFVDANISNLDNNNQFYHELKNSLLFSTRPSDAVENSPKLTCVQSSANEFRIAKAVTETAAITIAPVESKIAANIPLITFNQYPDPLNKQSDISHKSHLSVLQFHHRRSAANINRVMDELKNEDEFQKRLHKRSSFKEGNWPSKIGFHKSFKNHFTKSSSPESNLAQKHLKPEHSISNEKSNTCPIIITSDQTNDKNPINLTLSSNPEVPICDLKLTKGE
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.5	Very low	28.7	Very low	244 Å²	244	167.3 Å²	167.3	100%	1.202	86%	0.864	S	S	*	*				0	97.4	0	-176.5	176.7	-172.2	0	0	108.6
2	S	28.3	Very low	28.6	Very low	105 Å²	105	166.1 Å²	166.1	73%	0.734	86%	0.86	S	S	*	*			cis	157.1	97.6	-22.5	179	0	0	0	0	106.3
3	V	27	Very low	28.4	Very low	140 Å²	140	170.8 Å²	170.8	85%	0.848	86%	0.863	S	S	*	*			trans	50.8	95	160.2	-168.9	0	0	0	0	116.7
4	K	29.7	Very low	28.6	Very low	207 Å²	207	166.4 Å²	166.4	90%	0.9	85%	0.848	S	S	*	*			trans	-152	13	160.5	-131.4	-178.8	-178.4	-173.4	0	117.7
5	E	30.7	Very low	28.7	Very low	196 Å²	196	165.3 Å²	165.3	92%	0.916	85%	0.845	S	S	*	*	S	Bend	trans	-125.1	30.8	-174.6	-69.5	-175.9	129.7	0	0	114.5
6	Q	27.9	Very low	28.9	Very low	185 Å²	185	162.3 Å²	162.3	86%	0.864	84%	0.837	S	S	*	*			trans	-138.2	87.9	167.9	-79	-170.4	-44.2	0	0	110
7	N	25	Very low	29.4	Very low	142 Å²	142	156.4 Å²	156.4	76%	0.759	81%	0.813	S	S	*	*			trans	-167.2	25.3	166	-120.1	7.5	0	0	0	116.4
8	N	29.1	Very low	29.8	Very low	158 Å²	158	155.6 Å²	155.6	85%	0.845	81%	0.807	S	S	*	*	S	Bend	trans	-105.9	-7.2	-178.4	-89.4	25.3	0	0	0	115.5
9	D	28.4	Very low	30.2	Very low	165 Å²	165	150.3 Å²	150.3	88%	0.882	79%	0.788	S	S	*	*	S	Bend	trans	-98.5	8.5	-172.7	-59.4	-53.3	0	0	0	114.3
10	T	27.1	Very low	30.7	Very low	108 Å²	108	146.8 Å²	146.8	66%	0.663	78%	0.775	S	S	*	*			trans	-109.1	2.9	-163.4	-5.1	0	0	0	0	115.6
11	E	27.2	Very low	31.4	Very low	190 Å²	190	149.9 Å²	149.9	89%	0.888	78%	0.776	S	S	*	*	S	Bend	trans	-102	2.4	-169.5	-142.2	165.1	-141.3	0	0	115
12	N	27	Very low	31.8	Very low	153 Å²	153	141.6 Å²	141.6	82%	0.818	73%	0.733	S	S	*	*			trans	-102.7	23.3	-179.8	-91	-46.7	0	0	0	115	V14	N12-V14 PolarHBondContact O-N 3.46Å
13	Y	25.8	Very low	33	Very low	228 Å²	228	141.5 Å²	141.5	89%	0.894	72%	0.724	S	S	*	*			trans	-87.1	80.9	168.8	-123.2	-89.3	0	0	0	110.6	D15	Y13-D15 PolarHBondContact O-N 3.16Å
14	V	31.1	Very low	34.7	Very low	109 Å²	109	143.9 Å²	143.9	66%	0.661	72%	0.718	S	S	*	*			trans	-57.2	121.5	176.2	175.5	0	0	0	0	109.6	N12 T16	N12-V14 PolarHBondContact O-N 3.46Å; V14-T16 VanDerWaalsContact C-N 3.27Å; V14-T16 HydrophobicContact CG1-CG2 4.37Å; V14-T16 PolarHBondContact O-N 3.43Å
15	D	29.9	Very low	36.3	Very low	149 Å²	149	137.3 Å²	137.3	80%	0.797	69%	0.691	S	S	*	*			trans	-72.8	80.9	-179.3	-155.6	-11.4	0	0	0	109.9	Y13 S17	Y13-D15 PolarHBondContact O-N 3.16Å; D15-S17 PolarHBondContact O-N 3.42Å
16	T	32.8	Very low	38.1	Very low	118 Å²	118	130.8 Å²	130.8	72%	0.724	66%	0.662	S	S	*	*			trans	-69.3	78	176.2	58.5	0	0	0	0	109.2	V14	V14-T16 VanDerWaalsContact C-N 3.27Å; V14-T16 HydrophobicContact CG1-CG2 4.37Å; V14-T16 PolarHBondContact O-N 3.43Å
17	S	37.1	Very low	40.4	Very low	61 Å²	61	126.2 Å²	126.2	43%	0.427	64%	0.643	S	S	.	*			trans	-51.5	139.6	-167.1	61.2	0	0	0	0	112.6	D15 A19 P20	D15-S17 PolarHBondContact O-N 3.42Å; S17-A19 PolarHBondContact O-N 3.28Å; S17-P20 VanDerWaalsContact O-CD 3.3Å; S17-P20 WeakPolarHBondContact O-CD 3.39Å; S17-P20 WeakPolarHBondContact O-CG 3.31Å; S17-P20 WeakPolarHBondContact OG-CD 3.27Å
18	M	36.9	Very low	42.7	Very low	143 Å²	143	121.7 Å²	121.7	70%	0.704	62%	0.616	S	S	*	*	H	α-helix	trans	-67.8	-22.8	174.6	-70.4	-171.4	173.4	0	0	112.1	R21 K22	M18-R21 PolarHBondContact O-N 3.09Å; M18-R21 VanDerWaalsContact O-N 3.16Å; M18-K22 VanDerWaalsContact O-CB 3.23Å; M18-K22 WeakPolarHBondContact O-CB 3.39Å; M18-K22 PolarHBondContact O-N 3.43Å
19	A	36.6	Very low	45	Very low	54 Å²	54	118.8 Å²	118.8	45%	0.446	60%	0.597	S	S	.	*	H	α-helix	trans	-50.4	-52.3	-175.6	0	0	0	0	0	115.6	S17 R21 K22 N23	S17-A19 PolarHBondContact O-N 3.28Å; A19-R21 PolarHBondContact O-N 3.45Å; A19-K22 WeakPolarHBondContact O-CA 3.48Å; A19-K22 WeakPolarHBondContact O-CB 3.48Å; A19-K22 PolarHBondContact O-N 3.02Å; A19-N23 PolarHBondContact O-N 2.94Å
20	P	41.4	Very low	47.6	Very low	81 Å²	81	115.4 Å²	115.4	53%	0.526	58%	0.582	S	S	.	*	H	α-helix	trans	-62.5	-35.7	177.4	21.8	-34.7	0	0	0	113.9	S17 K22 R24	S17-P20 VanDerWaalsContact O-CD 3.3Å; S17-P20 WeakPolarHBondContact O-CD 3.39Å; S17-P20 WeakPolarHBondContact O-CG 3.31Å; S17-P20 WeakPolarHBondContact OG-CD 3.27Å; P20-K22 VanDerWaalsContact C-N 3.34Å; P20-R24 WeakPolarHBondContact O-CB 3.28Å; P20-R24 PolarHBondContact O-N 2.98Å
21	R	44.2	Very low	50.4	Low	212 Å²	212	115.8 Å²	115.8	80%	0.8	58%	0.58	S	S	*	*	H	α-helix	trans	-68.9	-36.5	171.2	-75.5	-178.9	171.3	161	-1.5	111.4	M18 A19 Q25	M18-R21 PolarHBondContact O-N 3.09Å; M18-R21 VanDerWaalsContact O-N 3.16Å; A19-R21 PolarHBondContact O-N 3.45Å; R21-Q25 PolarHBondContact O-N 2.85Å
22	K	45.1	Very low	53.3	Low	70 Å²	70	108.1 Å²	108.1	30%	0.304	55%	0.546	S	S	.	.	H	α-helix	trans	-67.2	-44.8	-176.9	-166.1	174.4	-169.1	-172.4	0	112.2	M18 A19 P20 P555 F556	M18-K22 VanDerWaalsContact O-CB 3.23Å; M18-K22 WeakPolarHBondContact O-CB 3.39Å; M18-K22 PolarHBondContact O-N 3.43Å; A19-K22 WeakPolarHBondContact O-CA 3.48Å; A19-K22 WeakPolarHBondContact O-CB 3.48Å; A19-K22 PolarHBondContact O-N 3.02Å; P20-K22 VanDerWaalsContact C-N 3.34Å; K22-P555 VanDerWaalsContact CE-O 3.31Å; K22-P555 WeakPolarHBondContact CE-O 3.21Å; K22-P555 PolarHBondContact NZ-O 3.07Å; K22-F556 HydrophobicContact CB-CE2 4.37Å; K22-F556 HydrophobicContact CB-CZ 4.5Å; K22-F556 HydrophobicContact CD-CE1 4.35Å; K22-F556 HydrophobicContact CD-CE2 4.06Å; K22-F556 HydrophobicContact CD-CZ 3.94Å; K22-F556 VanDerWaalsContact CE-CE1 3.47Å; K22-F556 VanDerWaalsContact CE-CZ 3.45Å; K22-F556 HydrophobicContact CG-CD2 4.04Å; K22-F556 HydrophobicContact CG-CE1 4.16Å; K22-F556 HydrophobicContact CG-CE2 3.21Å; K22-F556 HydrophobicContact CG-CZ 3.28Å; K22-F556 WeakPolarHBondContact O-CE2 3.37Å
23	N	52.2	Low	56.1	Low	102 Å²	102	106.7 Å²	106.7	55%	0.545	54%	0.538	S	S	.	.	H	α-helix	trans	-66.2	-49.5	175.6	-72.1	11.5	0	0	0	111.5	A19 Q25 N26 D27	A19-N23 PolarHBondContact O-N 2.94Å; N23-Q25 PolarHBondContact O-N 3.46Å; N23-N26 WeakPolarHBondContact O-CA 3.35Å; N23-N26 WeakPolarHBondContact O-CB 3.45Å; N23-N26 PolarHBondContact O-N 3.45Å; N23-D27 VanDerWaalsContact O-CG 3.32Å; N23-D27 PolarHBondContact O-N 2.99Å
24	R	63.3	Low	59.2	Low	191 Å²	191	101.5 Å²	101.5	72%	0.721	53%	0.525	S	S	*	.	H	α-helix	trans	-57	-29.7	-174.2	-161.6	175.3	-171	178	3.6	114	P20 D27 R28	P20-R24 WeakPolarHBondContact O-CB 3.28Å; P20-R24 PolarHBondContact O-N 2.98Å; R24-D27 WeakPolarHBondContact CA-OD2 3.49Å; R24-R28 WeakPolarHBondContact O-CB 3.43Å; R24-R28 PolarHBondContact O-N 3.35Å; R24-R28 VanDerWaalsContact O-N 3.14Å
25	Q	63.7	Low	62.3	Low	69 Å²	69	100.7 Å²	100.7	32%	0.322	51%	0.511	S	S	.	.	H	α-helix	trans	-76.7	-30.4	175.1	-178.4	144.5	-61.8	0	0	113.4	R21 N23 Q29	R21-Q25 PolarHBondContact O-N 2.85Å; N23-Q25 PolarHBondContact O-N 3.46Å; Q25-Q29 WeakPolarHBondContact O-CG 3.46Å; Q25-Q29 PolarHBondContact O-N 3.18Å; Q25-Q29 VanDerWaalsContact O-N 3.15Å
26	N	69.1	Low	65.2	Low	58 Å²	58	94.4 Å²	94.4	31%	0.31	48%	0.48	S	S	.	.	H	α-helix	trans	-72	-41.8	171.6	-74.7	12.9	0	0	0	111	N23 R28 Q29 T30 F556	N23-N26 WeakPolarHBondContact O-CA 3.35Å; N23-N26 WeakPolarHBondContact O-CB 3.45Å; N23-N26 PolarHBondContact O-N 3.45Å; N26-R28 VanDerWaalsContact C-N 3.3Å; N26-R28 PolarHBondContact O-N 2.8Å; N26-Q29 PolarHBondContact O-N 2.92Å; N26-Q29 VanDerWaalsContact O-N 3.17Å; N26-T30 WeakPolarHBondContact O-CB 3.4Å; N26-T30 PolarHBondContact O-N 2.89Å; N26-T30 PolarHBondContact O-OG1 3.2Å; N26-F556 VanDerWaalsContact ND2-CE1 3.3Å; N26-F556 WeakPolarHBondContact ND2-CE1 3.3Å; N26-F556 WeakPolarHBondContact ND2-CZ 3.34Å; N26-F556 WeakPolarHBondContact OD1-CE2 3.45Å; N26-F556 WeakPolarHBondContact OD1-CZ 3.41Å
27	D	75.5	Confident	68.1	Low	89 Å²	89	91.8 Å²	91.8	48%	0.476	47%	0.466	S	S	.	.	H	α-helix	trans	-57.7	-46.4	176.2	-54.4	-33.9	0	0	0	110	N23 R24 Q29 T30 I31	N23-D27 VanDerWaalsContact O-CG 3.32Å; N23-D27 PolarHBondContact O-N 2.99Å; R24-D27 WeakPolarHBondContact CA-OD2 3.49Å; D27-Q29 PolarHBondContact O-N 3.1Å; D27-T30 WeakPolarHBondContact O-CB 3.32Å; D27-T30 PolarHBondContact O-N 3.18Å; D27-I31 VanDerWaalsContact O-CG1 3.3Å; D27-I31 WeakPolarHBondContact O-CG1 3.5Å; D27-I31 PolarHBondContact O-N 3.43Å
28	R	73.8	Confident	70.8	Confident	47 Å²	47	92 Å²	92	18%	0.177	47%	0.468	C	S	.	.	H	α-helix	trans	-55.1	-49.8	172.5	-175.1	-177.5	84.3	-140.8	-1.8	112.9	R24 N26 T30 I31 C32 E188	R24-R28 WeakPolarHBondContact O-CB 3.43Å; R24-R28 PolarHBondContact O-N 3.35Å; R24-R28 VanDerWaalsContact O-N 3.14Å; N26-R28 VanDerWaalsContact C-N 3.3Å; N26-R28 PolarHBondContact O-N 2.8Å; R28-T30 VanDerWaalsContact C-N 3.27Å; R28-T30 PolarHBondContact O-N 3.41Å; R28-I31 PolarHBondContact O-N 3.18Å; R28-C32 WeakPolarHBondContact O-CB 3.45Å; R28-C32 PolarHBondContact O-N 3.15Å; R28-C32 PolarHBondContact O-SG 2.92Å; R28-C32 VanDerWaalsContact O-SG 3.36Å; R28-E188 WeakPolarHBondContact CD-OE1 3.31Å; R28-E188 WeakPolarHBondContact CD-OE2 3.38Å; R28-E188 IonicContact CZ-OE1 2.7Å; R28-E188 IonicContact NE-OE1 3.36Å; R28-E188 IonicContact NH1-OE1 3.3Å; R28-E188 PolarHBondContact NH1-OE1 3.38Å
29	Q	76.2	Confident	73.6	Confident	98 Å²	98	86.4 Å²	86.4	46%	0.458	44%	0.441	S	S	.	.	H	α-helix	trans	-62	-37.8	178.7	-75.8	-179.2	-5.3	0	0	111.8	Q25 N26 D27 L33	Q25-Q29 WeakPolarHBondContact O-CG 3.46Å; Q25-Q29 PolarHBondContact O-N 3.18Å; Q25-Q29 VanDerWaalsContact O-N 3.15Å; N26-Q29 PolarHBondContact O-N 2.92Å; N26-Q29 VanDerWaalsContact O-N 3.17Å; D27-Q29 PolarHBondContact O-N 3.1Å; Q29-L33 VanDerWaalsContact O-CB 3.3Å; Q29-L33 WeakPolarHBondContact O-CB 3.47Å; Q29-L33 PolarHBondContact O-N 2.68Å
30	T	83.2	Confident	76.3	Confident	93 Å²	93	85.6 Å²	85.6	57%	0.571	43%	0.431	S	S	*	.	H	α-helix	trans	-67.6	-46.1	179	-54.6	0	0	0	0	111.1	N26 D27 R28 L33 L34	N26-T30 WeakPolarHBondContact O-CB 3.4Å; N26-T30 PolarHBondContact O-N 2.89Å; N26-T30 PolarHBondContact O-OG1 3.2Å; D27-T30 WeakPolarHBondContact O-CB 3.32Å; D27-T30 PolarHBondContact O-N 3.18Å; R28-T30 VanDerWaalsContact C-N 3.27Å; R28-T30 PolarHBondContact O-N 3.41Å; T30-L33 PolarHBondContact O-N 2.95Å; T30-L34 WeakPolarHBondContact O-CB 3.4Å; T30-L34 PolarHBondContact O-N 3.35Å
31	I	87.1	Confident	78.8	Confident	117 Å²	117	84.5 Å²	84.5	60%	0.6	43%	0.429	S	S	*	.	H	α-helix	trans	-61.6	-46.1	176.3	-67.7	163.3	0	0	0	110.8	D27 R28 L33 L34 Y35	D27-I31 VanDerWaalsContact O-CG1 3.3Å; D27-I31 WeakPolarHBondContact O-CG1 3.5Å; D27-I31 PolarHBondContact O-N 3.43Å; R28-I31 PolarHBondContact O-N 3.18Å; I31-L33 VanDerWaalsContact C-N 3.31Å; I31-L33 PolarHBondContact O-N 3.3Å; I31-L34 PolarHBondContact O-N 2.91Å; I31-Y35 WeakPolarHBondContact O-CB 3.4Å; I31-Y35 PolarHBondContact O-N 2.85Å
32	C	87	Confident	81.1	Confident	28 Å²	28	76.2 Å²	76.2	19%	0.189	41%	0.406	C	S	.	.	H	α-helix	trans	-61.1	-37.9	176.3	-75.2	0	0	0	0	112.8	R28 A36 V195	R28-C32 WeakPolarHBondContact O-CB 3.45Å; R28-C32 PolarHBondContact O-N 3.15Å; R28-C32 PolarHBondContact O-SG 2.92Å; R28-C32 VanDerWaalsContact O-SG 3.36Å; C32-A36 WeakPolarHBondContact O-CB 3.42Å; C32-A36 PolarHBondContact O-N 3.01Å; C32-V195 HydrophobicContact CB-CG1 4.03Å; C32-V195 HydrophobicContact CB-CG2 4.05Å
33	L	86	Confident	83.4	Confident	123 Å²	123	73.1 Å²	73.1	64%	0.644	39%	0.393	S	S	*	.	H	α-helix	trans	-73.5	-40	179	-165.1	155.2	0	0	0	111.6	Q29 T30 I31 Y35 A36 S37	Q29-L33 VanDerWaalsContact O-CB 3.3Å; Q29-L33 WeakPolarHBondContact O-CB 3.47Å; Q29-L33 PolarHBondContact O-N 2.68Å; T30-L33 PolarHBondContact O-N 2.95Å; I31-L33 VanDerWaalsContact C-N 3.31Å; I31-L33 PolarHBondContact O-N 3.3Å; L33-Y35 VanDerWaalsContact C-N 3.35Å; L33-A36 PolarHBondContact O-N 3.39Å; L33-S37 WeakPolarHBondContact O-CB 3.35Å; L33-S37 PolarHBondContact O-N 3.33Å; L33-S37 PolarHBondContact O-OG 3.36Å
34	L	91.9	Very high	85.2	Confident	120 Å²	120	72 Å²	72	63%	0.628	39%	0.387	S	S	*	.	H	α-helix	trans	-64.4	-38.6	174.4	-162.8	83.1	0	0	0	112	T30 I31 S37 S38	T30-L34 WeakPolarHBondContact O-CB 3.4Å; T30-L34 PolarHBondContact O-N 3.35Å; I31-L34 PolarHBondContact O-N 2.91Å; L34-S37 PolarHBondContact O-OG 3.02Å; L34-S38 WeakPolarHBondContact O-CB 3.33Å; L34-S38 PolarHBondContact O-N 3.11Å; L34-S38 VanDerWaalsContact O-N 3.08Å; L34-S38 PolarHBondContact O-OG 3.44Å
35	Y	94.4	Very high	86.5	Confident	91 Å²	91	66.8 Å²	66.8	36%	0.357	38%	0.379	S	S	.	.	H	α-helix	trans	-62.7	-50.7	171.5	174.9	-96	0	0	0	111.2	I31 L33 S37 S38 V39 V195 H196 T199	I31-Y35 WeakPolarHBondContact O-CB 3.4Å; I31-Y35 PolarHBondContact O-N 2.85Å; L33-Y35 VanDerWaalsContact C-N 3.35Å; Y35-S37 PolarHBondContact O-N 3.44Å; Y35-S38 PolarHBondContact O-N 3.47Å; Y35-S38 PolarHBondContact O-OG 3.27Å; Y35-S38 VanDerWaalsContact O-OG 3.08Å; Y35-V39 HydrophobicContact CD2-CG2 4.18Å; Y35-V39 HydrophobicContact CE1-CG2 4.31Å; Y35-V39 HydrophobicContact CE2-CG2 3.73Å; Y35-V39 WeakPolarHBondContact O-CG2 3.38Å; Y35-V39 PolarHBondContact O-N 3.47Å; Y35-V39 VanDerWaalsContact O-N 3.11Å; Y35-V195 HydrophobicContact CD1-CG1 4.28Å; Y35-H196 HydrophobicContact CE1-CB 4.39Å; Y35-H196 AromaticContact CZ-ND1 3.87Å; Y35-H196 PolarHBondContact OH-ND1 3.25Å; Y35-T199 HydrophobicContact CE1-CG2 4.28Å
36	A	92.5	Very high	87.8	Confident	17 Å²	17	65.4 Å²	65.4	14%	0.14	37%	0.373	C	S	.	.	H	α-helix	trans	-61	-43.9	-179.1	0	0	0	0	0	112.4	C32 L33 V40 T199	C32-A36 WeakPolarHBondContact O-CB 3.42Å; C32-A36 PolarHBondContact O-N 3.01Å; L33-A36 PolarHBondContact O-N 3.39Å; A36-V40 WeakPolarHBondContact O-CB 3.47Å; A36-V40 VanDerWaalsContact O-CG2 3.27Å; A36-V40 WeakPolarHBondContact O-CG2 3.35Å; A36-V40 PolarHBondContact O-N 3.32Å; A36-V40 VanDerWaalsContact O-N 3.14Å; A36-T199 WeakPolarHBondContact CA-OG1 3.49Å; A36-T199 HydrophobicContact CB-CG2 4.4Å; A36-T199 WeakPolarHBondContact CB-OG1 3.45Å
37	S	92.4	Very high	88.8	Confident	64 Å²	64	62.6 Å²	62.6	45%	0.448	36%	0.359	S	S	.	.	H	α-helix	trans	-69.4	-40.3	-179.6	64.5	0	0	0	0	112.9	L33 L34 Y35 A41	L33-S37 WeakPolarHBondContact O-CB 3.35Å; L33-S37 PolarHBondContact O-N 3.33Å; L33-S37 PolarHBondContact O-OG 3.36Å; L34-S37 PolarHBondContact O-OG 3.02Å; Y35-S37 PolarHBondContact O-N 3.44Å; S37-A41 VanDerWaalsContact O-CB 3.25Å; S37-A41 WeakPolarHBondContact O-CB 3.34Å; S37-A41 PolarHBondContact O-N 2.67Å
38	S	94.8	Very high	89.3	Confident	66 Å²	66	62 Å²	62	46%	0.462	36%	0.358	S	S	.	.	H	α-helix	trans	-67.8	-39.6	179	53.7	0	0	0	0	112.9	L34 Y35 A41 A42	L34-S38 WeakPolarHBondContact O-CB 3.33Å; L34-S38 PolarHBondContact O-N 3.11Å; L34-S38 VanDerWaalsContact O-N 3.08Å; L34-S38 PolarHBondContact O-OG 3.44Å; Y35-S38 PolarHBondContact O-N 3.47Å; Y35-S38 PolarHBondContact O-OG 3.27Å; Y35-S38 VanDerWaalsContact O-OG 3.08Å; S38-A41 PolarHBondContact O-N 3.05Å; S38-A42 WeakPolarHBondContact O-CB 3.48Å; S38-A42 PolarHBondContact O-N 3.43Å
39	V	95.2	Very high	89.8	Confident	24 Å²	24	61.9 Å²	61.9	15%	0.145	37%	0.367	C	S	.	.	H	α-helix	trans	-72	-37	177.9	179.8	0	0	0	0	111.9	Y35 A42 S43 F71 L75 T199	Y35-V39 HydrophobicContact CD2-CG2 4.18Å; Y35-V39 HydrophobicContact CE1-CG2 4.31Å; Y35-V39 HydrophobicContact CE2-CG2 3.73Å; Y35-V39 WeakPolarHBondContact O-CG2 3.38Å; Y35-V39 PolarHBondContact O-N 3.47Å; Y35-V39 VanDerWaalsContact O-N 3.11Å; V39-A42 PolarHBondContact O-N 3.22Å; V39-S43 PolarHBondContact O-N 2.76Å; V39-F71 HydrophobicContact CG1-CZ 4.18Å; V39-L75 HydrophobicContact CG1-CD2 4.33Å; V39-T199 HydrophobicContact CB-CG2 3.73Å; V39-T199 HydrophobicContact CG1-CG2 3.87Å
40	V	93.3	Very high	90.2	Very high	37 Å²	37	57.6 Å²	57.6	22%	0.224	35%	0.348	C	S	.	.	H	α-helix	trans	-69.2	-35.9	173	172.6	0	0	0	0	111.8	A36 S43 L44 T199 L202	A36-V40 WeakPolarHBondContact O-CB 3.47Å; A36-V40 VanDerWaalsContact O-CG2 3.27Å; A36-V40 WeakPolarHBondContact O-CG2 3.35Å; A36-V40 PolarHBondContact O-N 3.32Å; A36-V40 VanDerWaalsContact O-N 3.14Å; V40-S43 PolarHBondContact O-N 3Å; V40-S43 PolarHBondContact O-OG 2.89Å; V40-L44 WeakPolarHBondContact O-CB 3.25Å; V40-L44 PolarHBondContact O-N 3.39Å; V40-T199 HydrophobicContact CG2-CG2 4.24Å; V40-L202 HydrophobicContact CG2-CB 3.73Å
41	A	93.5	Very high	90	Very high	58 Å²	58	54.5 Å²	54.5	48%	0.479	33%	0.327	S	S	.	.	H	α-helix	trans	-64.4	-41	172.7	0	0	0	0	0	111.6	S37 S38 S45	S37-A41 VanDerWaalsContact O-CB 3.25Å; S37-A41 WeakPolarHBondContact O-CB 3.34Å; S37-A41 PolarHBondContact O-N 2.67Å; S38-A41 PolarHBondContact O-N 3.05Å; A41-S45 VanDerWaalsContact O-CB 3.29Å; A41-S45 WeakPolarHBondContact O-CB 3.3Å; A41-S45 PolarHBondContact O-N 3.48Å
42	A	93.2	Very high	89.1	Confident	39 Å²	39	55.7 Å²	55.7	32%	0.322	33%	0.33	S	S	.	.	H	α-helix	trans	-63.6	-44.5	173.9	0	0	0	0	0	112	S38 V39 L44 S45 I46 F71	S38-A42 WeakPolarHBondContact O-CB 3.48Å; S38-A42 PolarHBondContact O-N 3.43Å; V39-A42 PolarHBondContact O-N 3.22Å; A42-L44 PolarHBondContact O-N 3.23Å; A42-S45 PolarHBondContact O-N 3.33Å; A42-I46 VanDerWaalsContact O-CG1 3.29Å; A42-I46 WeakPolarHBondContact O-CG1 3.34Å; A42-I46 PolarHBondContact O-N 2.8Å; A42-F71 HydrophobicContact CB-CE2 4.44Å; A42-F71 HydrophobicContact CB-CZ 4.43Å
43	S	93.3	Very high	87.7	Confident	4 Å²	4	61.2 Å²	61.2	3%	0.028	35%	0.348	C	S	.	.	H	α-helix	trans	-63	-42.9	177.9	76.2	0	0	0	0	112.1	V39 V40 A47 F71 C203	V39-S43 PolarHBondContact O-N 2.76Å; V40-S43 PolarHBondContact O-N 3Å; V40-S43 PolarHBondContact O-OG 2.89Å; S43-A47 VanDerWaalsContact O-CB 3.27Å; S43-A47 WeakPolarHBondContact O-CB 3.35Å; S43-A47 PolarHBondContact O-N 2.77Å; S43-F71 VanDerWaalsContact CB-CE1 3.49Å; S43-C203 WeakPolarHBondContact OG-CA 3.46Å; S43-C203 WeakPolarHBondContact OG-CB 3.31Å
44	L	90.6	Very high	86.1	Confident	80 Å²	80	57.8 Å²	57.8	42%	0.419	34%	0.337	S	S	.	.	H	α-helix	trans	-65.6	-41.9	177.3	-176.3	64.3	0	0	0	111.5	V40 A42 A47 V48 V210	V40-L44 WeakPolarHBondContact O-CB 3.25Å; V40-L44 PolarHBondContact O-N 3.39Å; A42-L44 PolarHBondContact O-N 3.23Å; L44-A47 PolarHBondContact O-N 2.9Å; L44-V48 HydrophobicContact CD1-CG2 4.22Å; L44-V48 HydrophobicContact CG-CG2 4.5Å; L44-V48 WeakPolarHBondContact O-CB 3.48Å; L44-V48 WeakPolarHBondContact O-CG2 3.32Å; L44-V48 PolarHBondContact O-N 2.85Å; L44-V210 HydrophobicContact CD1-CG2 3.79Å
45	S	91	Very high	84.3	Confident	80 Å²	80	60.2 Å²	60.2	56%	0.559	35%	0.345	S	S	*	.	H	α-helix	trans	-62.1	-46.1	176.7	178.1	0	0	0	0	112.1	A41 A42 A49	A41-S45 VanDerWaalsContact O-CB 3.29Å; A41-S45 WeakPolarHBondContact O-CB 3.3Å; A41-S45 PolarHBondContact O-N 3.48Å; A42-S45 PolarHBondContact O-N 3.33Å; S45-A49 WeakPolarHBondContact O-CB 3.37Å; S45-A49 PolarHBondContact O-N 3.03Å
46	I	90.6	Very high	82.5	Confident	40 Å²	40	64.7 Å²	64.7	21%	0.205	37%	0.37	C	S	.	.	H	α-helix	trans	-65.3	-41.1	176.9	-66.8	165	0	0	0	111	A42 S50 T63 R68 F71	A42-I46 VanDerWaalsContact O-CG1 3.29Å; A42-I46 WeakPolarHBondContact O-CG1 3.34Å; A42-I46 PolarHBondContact O-N 2.8Å; I46-S50 WeakPolarHBondContact O-CB 3.41Å; I46-S50 PolarHBondContact O-N 2.98Å; I46-S50 VanDerWaalsContact O-N 3.12Å; I46-T63 HydrophobicContact CG2-CG2 4.4Å; I46-R68 HydrophobicContact CG2-CB 3.86Å; I46-R68 HydrophobicContact CG2-CG 4.45Å; I46-F71 HydrophobicContact CD1-CB 4.11Å; I46-F71 HydrophobicContact CD1-CD1 4.31Å; I46-F71 HydrophobicContact CD1-CD2 3.68Å; I46-F71 HydrophobicContact CD1-CE2 4.16Å; I46-F71 HydrophobicContact CD1-CG 3.76Å
47	A	89.1	Confident	81.1	Confident	0 Å²	0	68 Å²	68	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-64.2	-47.3	178	0	0	0	0	0	111.8	S43 L44 S50 M51 D207 V210	S43-A47 VanDerWaalsContact O-CB 3.27Å; S43-A47 WeakPolarHBondContact O-CB 3.35Å; S43-A47 PolarHBondContact O-N 2.77Å; L44-A47 PolarHBondContact O-N 2.9Å; A47-S50 PolarHBondContact O-N 2.59Å; A47-S50 VanDerWaalsContact O-N 3.16Å; A47-S50 PolarHBondContact O-OG 3.46Å; A47-M51 PolarHBondContact O-N 3.42Å; A47-D207 HydrophobicContact CB-CB 4.48Å; A47-V210 HydrophobicContact CB-CB 3.98Å; A47-V210 HydrophobicContact CB-CG1 4.06Å; A47-V210 HydrophobicContact CB-CG2 4.1Å
48	V	86	Confident	79.6	Confident	76 Å²	76	71.3 Å²	71.3	46%	0.461	40%	0.401	S	S	.	.	H	α-helix	trans	-65.7	-42.3	177.9	172.6	0	0	0	0	111.4	L44 S50 M51 V210	L44-V48 HydrophobicContact CD1-CG2 4.22Å; L44-V48 HydrophobicContact CG-CG2 4.5Å; L44-V48 WeakPolarHBondContact O-CB 3.48Å; L44-V48 WeakPolarHBondContact O-CG2 3.32Å; L44-V48 PolarHBondContact O-N 2.85Å; V48-S50 PolarHBondContact O-N 3.03Å; V48-S50 VanDerWaalsContact O-N 3.15Å; V48-M51 WeakPolarHBondContact O-CB 3.46Å; V48-M51 PolarHBondContact O-N 3.13Å; V48-M51 VanDerWaalsContact O-N 3.13Å; V48-V210 HydrophobicContact CG2-CG1 4.38Å; V48-V210 HydrophobicContact CG2-CG2 4.07Å
49	A	85	Confident	78.3	Confident	44 Å²	44	75.3 Å²	75.3	36%	0.364	41%	0.412	S	S	.	.	H	α-helix	trans	-67	-10.3	175.3	0	0	0	0	0	114.1	S45 T63	S45-A49 WeakPolarHBondContact O-CB 3.37Å; S45-A49 PolarHBondContact O-N 3.03Å; A49-T63 HydrophobicContact CB-CG2 4.15Å
50	S	83.7	Confident	76.9	Confident	8 Å²	8	75.3 Å²	75.3	6%	0.056	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-5.6	174.1	77.4	0	0	0	0	114.6	I46 A47 V48 R68	I46-S50 WeakPolarHBondContact O-CB 3.41Å; I46-S50 PolarHBondContact O-N 2.98Å; I46-S50 VanDerWaalsContact O-N 3.12Å; A47-S50 PolarHBondContact O-N 2.59Å; A47-S50 VanDerWaalsContact O-N 3.16Å; A47-S50 PolarHBondContact O-OG 3.46Å; V48-S50 PolarHBondContact O-N 3.03Å; V48-S50 VanDerWaalsContact O-N 3.15Å; S50-R68 WeakPolarHBondContact OG-CD 3.4Å; S50-R68 PolarHBondContact OG-NH1 3.07Å
51	M	79.5	Confident	75.7	Confident	28 Å²	28	77.1 Å²	77.1	14%	0.138	42%	0.422	C	S	.	.			trans	-64	140	180	-71.6	-176	66.9	0	0	111	A47 V48 Y53 A54 Q60 V210 I213 D214 L217	A47-M51 PolarHBondContact O-N 3.42Å; V48-M51 WeakPolarHBondContact O-CB 3.46Å; V48-M51 PolarHBondContact O-N 3.13Å; V48-M51 VanDerWaalsContact O-N 3.13Å; M51-Y53 PolarHBondContact O-N 3.34Å; M51-Y53 VanDerWaalsContact O-N 3.12Å; M51-A54 PolarHBondContact O-N 3.42Å; M51-Q60 PolarHBondContact O-NE2 2.96Å; M51-V210 HydrophobicContact CG-CG1 3.61Å; M51-V210 HydrophobicContact SD-CG1 3.66Å; M51-I213 HydrophobicContact CE-CG2 3.87Å; M51-D214 WeakPolarHBondContact CA-OD1 3.21Å; M51-D214 WeakPolarHBondContact CB-OD1 3.42Å; M51-D214 HydrophobicContact CE-CB 4.09Å; M51-D214 HydrophobicContact CG-CB 4.2Å; M51-L217 HydrophobicContact CE-CD1 4.05Å
52	Q	68.1	Low	75.1	Confident	142 Å²	142	79.2 Å²	79.2	66%	0.664	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-8.5	-177.6	-153	97	42.5	0	0	113	D214	Q52-D214 PolarHBondContact N-OD1 2.94Å
53	Y	57.7	Low	74.6	Confident	145 Å²	145	79.1 Å²	79.1	57%	0.569	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-4.3	-176.2	-144.9	-85.9	0	0	0	114.4	M51	M51-Y53 PolarHBondContact O-N 3.34Å; M51-Y53 VanDerWaalsContact O-N 3.12Å
54	A	52	Low	73.9	Confident	50 Å²	50	80.9 Å²	80.9	41%	0.413	43%	0.434	S	S	.	.	S	Bend	trans	-78	154.2	165.5	0	0	0	0	0	110.3	M51 Q60	M51-A54 PolarHBondContact O-N 3.42Å; A54-Q60 PolarHBondContact O-NE2 3.45Å
55	E	54.3	Low	73.3	Confident	171 Å²	171	84.2 Å²	84.2	80%	0.799	45%	0.445	S	S	*	.			trans	-59.3	140.6	-179.6	-63.1	178.8	129.4	0	0	111.7	V57 Q60	E55-V57 PolarHBondContact O-N 3.04Å; E55-Q60 PolarHBondContact O-OE1 2.93Å; E55-Q60 VanDerWaalsContact O-OE1 3.07Å
56	E	56.6	Low	72.9	Confident	186 Å²	186	86.5 Å²	86.5	87%	0.869	44%	0.441	S	S	*	.			trans	-64.9	90.8	-178.2	-70	-170.3	134.9	0	0	111.9
57	V	62.3	Low	72.6	Confident	86 Å²	86	85.9 Å²	85.9	52%	0.521	45%	0.445	S	S	.	.			trans	-116.2	136.2	172.2	-179.9	0	0	0	0	107.7	E55 Q59 Q60	E55-V57 PolarHBondContact O-N 3.04Å; V57-Q59 HydrophobicContact CG1-CB 4.39Å; V57-Q59 PolarHBondContact O-N 3.25Å; V57-Q60 VanDerWaalsContact O-CB 3.24Å; V57-Q60 WeakPolarHBondContact O-CB 3.39Å; V57-Q60 PolarHBondContact O-N 3.21Å
58	D	62.6	Low	72.6	Confident	134 Å²	134	88.2 Å²	88.2	72%	0.717	45%	0.454	S	S	*	.	H	α-helix	trans	-49.9	-28.1	-176.4	-67.3	-49.1	0	0	0	114.4	T61 I62	D58-T61 PolarHBondContact O-OG1 3.41Å; D58-I62 WeakPolarHBondContact O-CD1 3.44Å; D58-I62 VanDerWaalsContact O-CG1 3.26Å; D58-I62 WeakPolarHBondContact O-CG1 3.45Å; D58-I62 PolarHBondContact O-N 3.26Å; D58-I62 VanDerWaalsContact O-N 3.12Å
59	Q	66.3	Low	72.6	Confident	149 Å²	149	86.3 Å²	86.3	70%	0.696	44%	0.443	S	S	*	.	H	α-helix	trans	-72.8	-27.7	179	-160.1	161.7	-5.6	0	0	113.3	V57 T63	V57-Q59 HydrophobicContact CG1-CB 4.39Å; V57-Q59 PolarHBondContact O-N 3.25Å; Q59-T63 VanDerWaalsContact O-CB 3.31Å; Q59-T63 WeakPolarHBondContact O-CB 3.29Å; Q59-T63 PolarHBondContact O-N 3.07Å; Q59-T63 PolarHBondContact O-OG1 3.24Å
60	Q	65.3	Low	72.8	Confident	24 Å²	24	89.6 Å²	89.6	11%	0.112	45%	0.454	C	S	.	.	H	α-helix	trans	-68.2	-49.6	172	-177.5	-161.1	20.5	0	0	110.4	M51 A54 E55 V57 I62 T63 A64	M51-Q60 PolarHBondContact O-NE2 2.96Å; A54-Q60 PolarHBondContact O-NE2 3.45Å; E55-Q60 PolarHBondContact O-OE1 2.93Å; E55-Q60 VanDerWaalsContact O-OE1 3.07Å; V57-Q60 VanDerWaalsContact O-CB 3.24Å; V57-Q60 WeakPolarHBondContact O-CB 3.39Å; V57-Q60 PolarHBondContact O-N 3.21Å; Q60-I62 VanDerWaalsContact C-N 3.34Å; Q60-I62 PolarHBondContact O-N 3.35Å; Q60-T63 PolarHBondContact O-N 3.13Å; Q60-T63 VanDerWaalsContact O-N 3.1Å; Q60-A64 WeakPolarHBondContact O-CB 3.45Å; Q60-A64 PolarHBondContact O-N 3.08Å
61	T	69.6	Low	73.2	Confident	76 Å²	76	91.6 Å²	91.6	47%	0.466	46%	0.462	S	S	.	.	H	α-helix	trans	-63.4	-37.6	179	39.8	0	0	0	0	111.9	D58 K65	D58-T61 PolarHBondContact O-OG1 3.41Å; T61-K65 WeakPolarHBondContact O-CB 3.3Å; T61-K65 PolarHBondContact O-N 3.39Å
62	I	79.6	Confident	73.8	Confident	102 Å²	102	91.4 Å²	91.4	52%	0.523	46%	0.463	S	S	.	.	H	α-helix	trans	-63.2	-45.1	170.6	-67.5	165.2	0	0	0	111.4	D58 Q60 W66 G67	D58-I62 WeakPolarHBondContact O-CD1 3.44Å; D58-I62 VanDerWaalsContact O-CG1 3.26Å; D58-I62 WeakPolarHBondContact O-CG1 3.45Å; D58-I62 PolarHBondContact O-N 3.26Å; D58-I62 VanDerWaalsContact O-N 3.12Å; Q60-I62 VanDerWaalsContact C-N 3.34Å; Q60-I62 PolarHBondContact O-N 3.35Å; I62-W66 PolarHBondContact O-N 3.45Å; I62-G67 PolarHBondContact O-N 3.49Å
63	T	83.1	Confident	74.9	Confident	36 Å²	36	85.7 Å²	85.7	22%	0.221	44%	0.439	C	S	.	.	I	π-helix	trans	-66.3	-41	-178	-59.8	0	0	0	0	112.1	I46 A49 Q59 Q60 G67 R68	I46-T63 HydrophobicContact CG2-CG2 4.4Å; A49-T63 HydrophobicContact CB-CG2 4.15Å; Q59-T63 VanDerWaalsContact O-CB 3.31Å; Q59-T63 WeakPolarHBondContact O-CB 3.29Å; Q59-T63 PolarHBondContact O-N 3.07Å; Q59-T63 PolarHBondContact O-OG1 3.24Å; Q60-T63 PolarHBondContact O-N 3.13Å; Q60-T63 VanDerWaalsContact O-N 3.1Å; T63-G67 CarbonylContact O-C 3.51Å; T63-G67 WeakPolarHBondContact O-CA 3.44Å; T63-G67 PolarHBondContact O-N 2.63Å; T63-G67 VanDerWaalsContact O-N 3.08Å; T63-R68 PolarHBondContact O-N 3.49Å
64	A	78.9	Confident	76.6	Confident	41 Å²	41	81.6 Å²	81.6	34%	0.339	43%	0.431	S	S	.	.	I	π-helix	trans	-70	-48.3	176.1	0	0	0	0	0	112.5	Q60 P69	Q60-A64 WeakPolarHBondContact O-CB 3.45Å; Q60-A64 PolarHBondContact O-N 3.08Å; A64-P69 WeakPolarHBondContact O-CD 3.47Å
65	K	78.4	Confident	78.7	Confident	151 Å²	151	79.8 Å²	79.8	66%	0.657	42%	0.415	S	S	*	.	I	π-helix	trans	-73.2	-31.4	-174.5	-169.4	167	-175.9	169.3	0	113.6	T61 P69	T61-K65 WeakPolarHBondContact O-CB 3.3Å; T61-K65 PolarHBondContact O-N 3.39Å; K65-P69 WeakPolarHBondContact O-CG 3.33Å
66	W	81.4	Confident	80.6	Confident	127 Å²	127	71.8 Å²	71.8	48%	0.481	38%	0.377	S	S	.	.	I	π-helix	trans	-124.3	-50.8	-175.7	-57.4	105.2	0	0	0	113.5	I62 R68 P69 L70	I62-W66 PolarHBondContact O-N 3.45Å; W66-R68 PolarHBondContact O-N 2.83Å; W66-P69 WeakPolarHBondContact O-CD 3.33Å; W66-P69 WeakPolarHBondContact O-CG 3.19Å; W66-L70 HydrophobicContact CB-CD1 4.27Å; W66-L70 VanDerWaalsContact O-CB 3.23Å; W66-L70 WeakPolarHBondContact O-CB 3.14Å; W66-L70 WeakPolarHBondContact O-CD1 3.33Å; W66-L70 WeakPolarHBondContact O-CG 3.23Å; W66-L70 PolarHBondContact O-N 3.37Å
67	G	86	Confident	82.5	Confident	28 Å²	28	64.8 Å²	64.8	29%	0.289	35%	0.351	S	S	.	.	I	π-helix	trans	-57.6	-54.2	-172.2	0	0	0	0	0	113.6	I62 T63 F71	I62-G67 PolarHBondContact O-N 3.49Å; T63-G67 CarbonylContact O-C 3.51Å; T63-G67 WeakPolarHBondContact O-CA 3.44Å; T63-G67 PolarHBondContact O-N 2.63Å; T63-G67 VanDerWaalsContact O-N 3.08Å; G67-F71 VanDerWaalsContact O-CB 3.31Å; G67-F71 WeakPolarHBondContact O-CB 3.42Å; G67-F71 PolarHBondContact O-N 2.97Å
68	R	87.5	Confident	84.1	Confident	48 Å²	48	63.5 Å²	63.5	18%	0.181	34%	0.343	C	S	.	.	H	α-helix	trans	-60.6	-53.6	179	-177.6	168.2	177.7	-167	-1.1	113.9	I46 S50 T63 W66 L70 F71 S72 D207	I46-R68 HydrophobicContact CG2-CB 3.86Å; I46-R68 HydrophobicContact CG2-CG 4.45Å; S50-R68 WeakPolarHBondContact OG-CD 3.4Å; S50-R68 PolarHBondContact OG-NH1 3.07Å; T63-R68 PolarHBondContact O-N 3.49Å; W66-R68 PolarHBondContact O-N 2.83Å; R68-L70 PolarHBondContact O-N 3.39Å; R68-F71 PolarHBondContact O-N 3.23Å; R68-S72 WeakPolarHBondContact O-CB 3.14Å; R68-S72 PolarHBondContact O-N 3.06Å; R68-D207 IonicContact CZ-OD1 3.39Å; R68-D207 IonicContact CZ-OD2 3.42Å; R68-D207 IonicContact NE-OD1 3.79Å; R68-D207 PolarHBondContact NE-OD1 3.36Å; R68-D207 IonicContact NE-OD2 3.3Å; R68-D207 PolarHBondContact NE-OD2 3.26Å; R68-D207 VanDerWaalsContact NH2-CG 3.34Å; R68-D207 PolarHBondContact NH2-O 2.98Å; R68-D207 IonicContact NH2-OD1 2.76Å; R68-D207 PolarHBondContact NH2-OD1 2.98Å; R68-D207 IonicContact NH2-OD2 2.73Å; R68-D207 PolarHBondContact NH2-OD2 2.97Å
69	P	86.3	Confident	85.8	Confident	36 Å²	36	57.1 Å²	57.1	23%	0.234	31%	0.309	C	S	.	.	H	α-helix	trans	-65.8	-34.9	179	23	-32.2	0	0	0	113.3	A64 K65 W66 S73 K160	A64-P69 WeakPolarHBondContact O-CD 3.47Å; K65-P69 WeakPolarHBondContact O-CG 3.33Å; W66-P69 WeakPolarHBondContact O-CD 3.33Å; W66-P69 WeakPolarHBondContact O-CG 3.19Å; P69-S73 VanDerWaalsContact O-CB 3.23Å; P69-S73 WeakPolarHBondContact O-CB 3.42Å; P69-S73 PolarHBondContact O-N 3.25Å; P69-S73 PolarHBondContact O-OG 3Å; P69-K160 HydrophobicContact CB-CD 4.4Å
70	L	89.6	Confident	87.2	Confident	113 Å²	113	50.5 Å²	50.5	59%	0.592	28%	0.279	S	S	*	.	H	α-helix	trans	-66.5	-46.3	175.4	-73.3	170.6	0	0	0	111.7	W66 R68 S73 S74	W66-L70 HydrophobicContact CB-CD1 4.27Å; W66-L70 VanDerWaalsContact O-CB 3.23Å; W66-L70 WeakPolarHBondContact O-CB 3.14Å; W66-L70 WeakPolarHBondContact O-CD1 3.33Å; W66-L70 WeakPolarHBondContact O-CG 3.23Å; W66-L70 PolarHBondContact O-N 3.37Å; R68-L70 PolarHBondContact O-N 3.39Å; L70-S73 PolarHBondContact O-N 2.81Å; L70-S74 WeakPolarHBondContact O-CB 3.42Å; L70-S74 PolarHBondContact O-N 3.22Å
71	F	92.6	Very high	88.7	Confident	51 Å²	51	54.4 Å²	54.4	22%	0.224	30%	0.301	C	S	.	.	H	α-helix	trans	-59.5	-50.4	178	-178.9	-91.8	0	0	0	111.4	V39 A42 S43 I46 G67 R68 S73 S74 L75	V39-F71 HydrophobicContact CG1-CZ 4.18Å; A42-F71 HydrophobicContact CB-CE2 4.44Å; A42-F71 HydrophobicContact CB-CZ 4.43Å; S43-F71 VanDerWaalsContact CB-CE1 3.49Å; I46-F71 HydrophobicContact CD1-CB 4.11Å; I46-F71 HydrophobicContact CD1-CD1 4.31Å; I46-F71 HydrophobicContact CD1-CD2 3.68Å; I46-F71 HydrophobicContact CD1-CE2 4.16Å; I46-F71 HydrophobicContact CD1-CG 3.76Å; G67-F71 VanDerWaalsContact O-CB 3.31Å; G67-F71 WeakPolarHBondContact O-CB 3.42Å; G67-F71 PolarHBondContact O-N 2.97Å; R68-F71 PolarHBondContact O-N 3.23Å; F71-S73 PolarHBondContact O-N 2.94Å; F71-S74 PolarHBondContact O-N 3.12Å; F71-S74 PolarHBondContact O-OG 3.3Å; F71-L75 HydrophobicContact CD1-CD1 4.17Å; F71-L75 HydrophobicContact CE1-CD1 3.56Å; F71-L75 HydrophobicContact CE1-CG 4.32Å; F71-L75 HydrophobicContact CZ-CD1 4.06Å; F71-L75 PolarHBondContact O-N 2.86Å
72	S	91.2	Very high	89.9	Confident	24 Å²	24	52 Å²	52	17%	0.168	29%	0.285	C	S	.	.	H	α-helix	trans	-60.1	-46.1	177	177.7	0	0	0	0	112.5	R68 S74 L75 Y76	R68-S72 WeakPolarHBondContact O-CB 3.14Å; R68-S72 PolarHBondContact O-N 3.06Å; S72-S74 VanDerWaalsContact C-N 3.28Å; S72-S74 PolarHBondContact O-N 3.47Å; S72-L75 PolarHBondContact O-N 3.29Å; S72-Y76 VanDerWaalsContact O-CD2 3.29Å; S72-Y76 WeakPolarHBondContact O-CD2 3.5Å; S72-Y76 PolarHBondContact O-N 3.3Å; S72-Y76 VanDerWaalsContact O-N 3.1Å; S72-Y76 WeakPolarHBondContact OG-CE2 3.27Å
73	S	91.6	Very high	90.7	Very high	22 Å²	22	47.4 Å²	47.4	15%	0.154	26%	0.261	C	S	.	.	H	α-helix	trans	-61.3	-36	177.2	-57.8	0	0	0	0	112.6	P69 L70 F71 Y76 A77	P69-S73 VanDerWaalsContact O-CB 3.23Å; P69-S73 WeakPolarHBondContact O-CB 3.42Å; P69-S73 PolarHBondContact O-N 3.25Å; P69-S73 PolarHBondContact O-OG 3Å; L70-S73 PolarHBondContact O-N 2.81Å; F71-S73 PolarHBondContact O-N 2.94Å; S73-Y76 PolarHBondContact O-N 3.02Å; S73-A77 WeakPolarHBondContact O-CB 3.27Å; S73-A77 PolarHBondContact O-N 2.69Å
74	S	94	Very high	91.2	Very high	58 Å²	58	50.6 Å²	50.6	41%	0.406	28%	0.276	S	S	.	.	H	α-helix	trans	-64.5	-42.2	177.5	78.5	0	0	0	0	112.1	L70 F71 S72 A77 T78	L70-S74 WeakPolarHBondContact O-CB 3.42Å; L70-S74 PolarHBondContact O-N 3.22Å; F71-S74 PolarHBondContact O-N 3.12Å; F71-S74 PolarHBondContact O-OG 3.3Å; S72-S74 VanDerWaalsContact C-N 3.28Å; S72-S74 PolarHBondContact O-N 3.47Å; S74-A77 PolarHBondContact O-N 2.91Å; S74-T78 PolarHBondContact O-N 3.01Å; S74-T78 PolarHBondContact O-OG1 3.3Å; S74-T78 VanDerWaalsContact O-OG1 3.07Å
75	L	95	Very high	91.9	Very high	12 Å²	12	52.5 Å²	52.5	6%	0.063	28%	0.279	C	S	.	.	H	α-helix	trans	-66.5	-39.6	176.8	-65.9	179.2	0	0	0	112.4	V39 F71 S72 T78 C79 T200 C203	V39-L75 HydrophobicContact CG1-CD2 4.33Å; F71-L75 HydrophobicContact CD1-CD1 4.17Å; F71-L75 HydrophobicContact CE1-CD1 3.56Å; F71-L75 HydrophobicContact CE1-CG 4.32Å; F71-L75 HydrophobicContact CZ-CD1 4.06Å; F71-L75 PolarHBondContact O-N 2.86Å; S72-L75 PolarHBondContact O-N 3.29Å; L75-T78 WeakPolarHBondContact CA-OG1 3.32Å; L75-T78 PolarHBondContact O-OG1 3.11Å; L75-C79 VanDerWaalsContact O-CB 3.3Å; L75-C79 WeakPolarHBondContact O-CB 3.29Å; L75-C79 PolarHBondContact O-N 3.29Å; L75-C79 PolarHBondContact O-SG 3.34Å; L75-T200 HydrophobicContact CB-CG2 3.79Å; L75-C203 HydrophobicContact CD1-CB 3.8Å
76	Y	95.7	Very high	92.5	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-62.6	-44.4	173.2	-68.1	-47.4	0	0	0	111.5	S72 S73 C80 E164 F167 Y168 I204	S72-Y76 VanDerWaalsContact O-CD2 3.29Å; S72-Y76 WeakPolarHBondContact O-CD2 3.5Å; S72-Y76 PolarHBondContact O-N 3.3Å; S72-Y76 VanDerWaalsContact O-N 3.1Å; S72-Y76 WeakPolarHBondContact OG-CE2 3.27Å; S73-Y76 PolarHBondContact O-N 3.02Å; Y76-C80 WeakPolarHBondContact O-CB 3.25Å; Y76-C80 PolarHBondContact O-N 3.48Å; Y76-C80 PolarHBondContact O-SG 3.43Å; Y76-E164 HydrophobicContact CD2-CB 3.77Å; Y76-E164 HydrophobicContact CD2-CG 4.17Å; Y76-E164 HydrophobicContact CE1-CG 4.13Å; Y76-E164 HydrophobicContact CE2-CB 3.61Å; Y76-E164 HydrophobicContact CE2-CG 3.5Å; Y76-E164 VanDerWaalsContact CE2-CG 3.5Å; Y76-E164 HydrophobicContact CG-CB 4.33Å; Y76-E164 VanDerWaalsContact CZ-CG 3.48Å; Y76-E164 PolarHBondContact OH-OE1 3.04Å; Y76-F167 HydrophobicContact CD1-CB 3.72Å; Y76-F167 AromaticContact CD1-CD1 3.65Å; Y76-F167 HydrophobicContact CD1-CD1 3.65Å; Y76-F167 HydrophobicContact CD1-CD2 4.27Å; Y76-F167 HydrophobicContact CD1-CE1 4.31Å; Y76-F167 AromaticContact CD1-CG 3.61Å; Y76-F167 HydrophobicContact CD1-CG 3.61Å; Y76-F167 HydrophobicContact CE1-CB 4.39Å; Y76-F167 AromaticContact CE1-CD1 3.58Å; Y76-F167 HydrophobicContact CE1-CD1 3.58Å; Y76-F167 HydrophobicContact CE1-CE1 4.03Å; Y76-F167 HydrophobicContact CE1-CG 4.06Å; Y76-F167 HydrophobicContact CG-CB 4.46Å; Y76-Y168 PolarHBondContact OH-OH 3.46Å; Y76-I204 HydrophobicContact CD1-CD1 4.16Å; Y76-I204 HydrophobicContact CE1-CD1 3.38Å; Y76-I204 HydrophobicContact CE1-CG1 3.99Å
77	A	95.5	Very high	92.9	Very high	38 Å²	38	40.9 Å²	40.9	31%	0.314	24%	0.238	S	C	.	.	H	α-helix	trans	-63.6	-47.2	178.6	0	0	0	0	0	112.7	S73 S74 C80 L81 L163	S73-A77 WeakPolarHBondContact O-CB 3.27Å; S73-A77 PolarHBondContact O-N 2.69Å; S74-A77 PolarHBondContact O-N 2.91Å; A77-C80 PolarHBondContact O-N 2.86Å; A77-L81 WeakPolarHBondContact O-CB 3.27Å; A77-L81 PolarHBondContact O-N 2.82Å; A77-L163 HydrophobicContact CB-CD1 4.23Å; A77-L163 HydrophobicContact CB-CD2 4.22Å
78	T	96.4	Very high	93.1	Very high	59 Å²	59	41.6 Å²	41.6	36%	0.362	25%	0.246	S	C	.	.	H	α-helix	trans	-65.4	-42.2	177.7	50.5	0	0	0	0	111.7	S74 L75 L81 L82 H196	S74-T78 PolarHBondContact O-N 3.01Å; S74-T78 PolarHBondContact O-OG1 3.3Å; S74-T78 VanDerWaalsContact O-OG1 3.07Å; L75-T78 WeakPolarHBondContact CA-OG1 3.32Å; L75-T78 PolarHBondContact O-OG1 3.11Å; T78-L81 PolarHBondContact O-N 2.9Å; T78-L82 WeakPolarHBondContact O-CB 3.19Å; T78-L82 VanDerWaalsContact O-CG 3.3Å; T78-L82 WeakPolarHBondContact O-CG 3.26Å; T78-L82 PolarHBondContact O-N 2.97Å; T78-H196 WeakPolarHBondContact CB-NE2 3.42Å; T78-H196 PolarHBondContact OG1-CE1 2.91Å; T78-H196 VanDerWaalsContact OG1-CE1 3.3Å; T78-H196 PolarHBondContact OG1-NE2 3.31Å
79	C	97.2	Very high	93	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.1	-42.9	175.1	-78.6	0	0	0	0	112.6	L75 L81 L82 L83 F167 H196 L197 T200	L75-C79 VanDerWaalsContact O-CB 3.3Å; L75-C79 WeakPolarHBondContact O-CB 3.29Å; L75-C79 PolarHBondContact O-N 3.29Å; L75-C79 PolarHBondContact O-SG 3.34Å; C79-L81 PolarHBondContact O-N 2.76Å; C79-L82 PolarHBondContact O-N 2.82Å; C79-L83 VanDerWaalsContact O-CB 3.28Å; C79-L83 WeakPolarHBondContact O-CB 3.4Å; C79-L83 WeakPolarHBondContact O-CD1 3.32Å; C79-L83 WeakPolarHBondContact O-CG 3.37Å; C79-L83 PolarHBondContact O-N 3.36Å; C79-F167 HydrophobicContact CB-CD2 3.64Å; C79-F167 HydrophobicContact CB-CE2 3.73Å; C79-H196 PolarHBondContact SG-CD2 2.69Å; C79-L197 HydrophobicContact CB-CD1 4.37Å; C79-T200 WeakPolarHBondContact SG-CB 3.41Å; C79-T200 PolarHBondContact SG-OG1 3.45Å
80	C	96.7	Very high	92.9	Very high	10 Å²	10	40 Å²	40	7%	0.068	24%	0.236	C	C	.	.	H	α-helix	trans	-60.5	-45.2	176	-71.2	0	0	0	0	112	Y76 A77 L83 I84 F167 L170	Y76-C80 WeakPolarHBondContact O-CB 3.25Å; Y76-C80 PolarHBondContact O-N 3.48Å; Y76-C80 PolarHBondContact O-SG 3.43Å; A77-C80 PolarHBondContact O-N 2.86Å; C80-L83 PolarHBondContact O-N 2.77Å; C80-I84 VanDerWaalsContact O-CG1 3.3Å; C80-I84 WeakPolarHBondContact O-CG1 3.4Å; C80-I84 PolarHBondContact O-N 3Å; C80-F167 PolarHBondContact SG-N 3.21Å; C80-F167 VanDerWaalsContact SG-N 3.39Å; C80-L170 HydrophobicContact CB-CD1 4.12Å
81	L	96.4	Very high	92.6	Very high	107 Å²	107	37.8 Å²	37.8	56%	0.56	22%	0.222	S	C	*	.	H	α-helix	trans	-59	-49.8	176.7	-173.8	75.6	0	0	0	111.3	A77 T78 C79 L83 I84 I85	A77-L81 WeakPolarHBondContact O-CB 3.27Å; A77-L81 PolarHBondContact O-N 2.82Å; T78-L81 PolarHBondContact O-N 2.9Å; C79-L81 PolarHBondContact O-N 2.76Å; L81-L83 PolarHBondContact O-N 3.31Å; L81-I84 PolarHBondContact O-N 3.45Å; L81-I85 HydrophobicContact CD1-CD1 4.5Å; L81-I85 HydrophobicContact CD2-CD1 4.46Å; L81-I85 HydrophobicContact CG-CD1 3.95Å; L81-I85 VanDerWaalsContact O-CG1 3.32Å; L81-I85 WeakPolarHBondContact O-CG1 3.07Å; L81-I85 PolarHBondContact O-N 3.45Å
82	L	95.7	Very high	92.1	Very high	25 Å²	25	42.9 Å²	42.9	13%	0.131	24%	0.244	C	C	.	.	H	α-helix	trans	-66.5	-37	-179.8	-66.1	-177.5	0	0	0	112.5	T78 C79 I85 M86 F193 H196 L197	T78-L82 WeakPolarHBondContact O-CB 3.19Å; T78-L82 VanDerWaalsContact O-CG 3.3Å; T78-L82 WeakPolarHBondContact O-CG 3.26Å; T78-L82 PolarHBondContact O-N 2.97Å; C79-L82 PolarHBondContact O-N 2.82Å; L82-I85 HydrophobicContact CD2-CD1 4.5Å; L82-I85 PolarHBondContact O-N 3.15Å; L82-M86 VanDerWaalsContact O-CB 3.27Å; L82-M86 WeakPolarHBondContact O-CB 3.2Å; L82-M86 WeakPolarHBondContact O-CG 3.41Å; L82-M86 PolarHBondContact O-N 2.83Å; L82-F193 HydrophobicContact CD1-CB 4.16Å; L82-F193 HydrophobicContact CD1-CD1 3.89Å; L82-F193 HydrophobicContact CD1-CG 4.08Å; L82-F193 HydrophobicContact CD2-CD1 3.62Å; L82-F193 HydrophobicContact CD2-CD2 3.94Å; L82-F193 HydrophobicContact CD2-CE1 3.55Å; L82-F193 HydrophobicContact CD2-CE2 3.87Å; L82-F193 HydrophobicContact CD2-CG 3.82Å; L82-F193 HydrophobicContact CD2-CZ 3.67Å; L82-F193 HydrophobicContact CG-CD1 4.34Å; L82-F193 HydrophobicContact CG-CG 4.37Å; L82-H196 HydrophobicContact CD1-CB 4.31Å; L82-L197 HydrophobicContact CB-CD1 4.2Å
83	L	95.4	Very high	91.2	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-60.6	-43.5	173.6	-80.1	161.4	0	0	0	111.8	C79 C80 L81 A87 L170 Q171 F174 L197	C79-L83 VanDerWaalsContact O-CB 3.28Å; C79-L83 WeakPolarHBondContact O-CB 3.4Å; C79-L83 WeakPolarHBondContact O-CD1 3.32Å; C79-L83 WeakPolarHBondContact O-CG 3.37Å; C79-L83 PolarHBondContact O-N 3.36Å; C80-L83 PolarHBondContact O-N 2.77Å; L81-L83 PolarHBondContact O-N 3.31Å; L83-A87 VanDerWaalsContact O-CB 3.24Å; L83-A87 WeakPolarHBondContact O-CB 3.43Å; L83-A87 PolarHBondContact O-N 3.45Å; L83-L170 HydrophobicContact CB-CB 4.29Å; L83-L170 HydrophobicContact CD1-CB 3.89Å; L83-Q171 HydrophobicContact CD1-CB 3.92Å; L83-F174 HydrophobicContact CD2-CB 3.53Å; L83-F174 HydrophobicContact CD2-CD1 3.98Å; L83-F174 HydrophobicContact CD2-CD2 3.92Å; L83-F174 HydrophobicContact CD2-CG 3.53Å; L83-L197 HydrophobicContact CD1-CD2 4.49Å; L83-L197 HydrophobicContact CD2-CD2 3.64Å; L83-L197 HydrophobicContact CG-CD2 3.92Å
84	I	94.7	Very high	90.2	Very high	104 Å²	104	45.9 Å²	45.9	53%	0.533	25%	0.25	S	S	.	.	H	α-helix	trans	-67.4	-45.3	177.9	-68.4	165.4	0	0	0	110.7	C80 L81 M86 A87 G88 L170	C80-I84 VanDerWaalsContact O-CG1 3.3Å; C80-I84 WeakPolarHBondContact O-CG1 3.4Å; C80-I84 PolarHBondContact O-N 3Å; L81-I84 PolarHBondContact O-N 3.45Å; I84-M86 PolarHBondContact O-N 3.01Å; I84-A87 PolarHBondContact O-N 3.16Å; I84-G88 PolarHBondContact O-N 3.2Å; I84-L170 HydrophobicContact CD1-CD1 4.16Å; I84-L170 HydrophobicContact CG1-CD1 4.12Å
85	I	93.6	Very high	88.4	Confident	80 Å²	80	48.7 Å²	48.7	41%	0.41	26%	0.259	S	S	.	.	H	α-helix	trans	-59	-47.5	176.1	-69.9	166.8	0	0	0	110.8	L81 L82 Y89 F193	L81-I85 HydrophobicContact CD1-CD1 4.5Å; L81-I85 HydrophobicContact CD2-CD1 4.46Å; L81-I85 HydrophobicContact CG-CD1 3.95Å; L81-I85 VanDerWaalsContact O-CG1 3.32Å; L81-I85 WeakPolarHBondContact O-CG1 3.07Å; L81-I85 PolarHBondContact O-N 3.45Å; L82-I85 HydrophobicContact CD2-CD1 4.5Å; L82-I85 PolarHBondContact O-N 3.15Å; I85-Y89 VanDerWaalsContact O-CB 3.27Å; I85-Y89 WeakPolarHBondContact O-CB 3.23Å; I85-Y89 PolarHBondContact O-N 3.29Å; I85-F193 HydrophobicContact CG2-CE2 4.23Å
86	M	90.6	Very high	86.7	Confident	4 Å²	4	51.6 Å²	51.6	2%	0.02	27%	0.272	C	S	.	.	H	α-helix	trans	-65.1	-45.2	179.6	-73.2	-74.3	-82.2	0	0	112.4	L82 I84 Y89 F90 F174 I183 M190 F193 L194	L82-M86 VanDerWaalsContact O-CB 3.27Å; L82-M86 WeakPolarHBondContact O-CB 3.2Å; L82-M86 WeakPolarHBondContact O-CG 3.41Å; L82-M86 PolarHBondContact O-N 2.83Å; I84-M86 PolarHBondContact O-N 3.01Å; M86-Y89 PolarHBondContact O-N 3.32Å; M86-F90 HydrophobicContact CB-CE2 4.4Å; M86-F90 HydrophobicContact CE-CE2 3.9Å; M86-F90 HydrophobicContact CE-CZ 3.63Å; M86-F90 WeakPolarHBondContact O-CD2 3.46Å; M86-F90 VanDerWaalsContact O-CG 3.26Å; M86-F90 WeakPolarHBondContact O-CG 3.3Å; M86-F90 PolarHBondContact O-N 3.47Å; M86-F90 HydrophobicContact SD-CZ 4.35Å; M86-F174 HydrophobicContact CB-CE2 3.77Å; M86-F174 HydrophobicContact CB-CZ 4.38Å; M86-F174 HydrophobicContact CE-CZ 4.32Å; M86-I183 HydrophobicContact CE-CD1 4.18Å; M86-M190 HydrophobicContact CE-CB 4.02Å; M86-M190 HydrophobicContact CE-CG 4.39Å; M86-M190 HydrophobicContact CE-SD 4.37Å; M86-M190 HydrophobicContact SD-CB 4.29Å; M86-M190 HydrophobicContact SD-CE 3.94Å; M86-M190 HydrophobicContact SD-CG 4.17Å; M86-M190 HydrophobicContact SD-SD 3.42Å; M86-F193 HydrophobicContact CG-CD2 3.95Å; M86-F193 HydrophobicContact SD-CD2 3.85Å; M86-L194 HydrophobicContact CE-CD1 4.09Å; M86-L194 HydrophobicContact CE-CG 4.14Å
87	A	89.9	Confident	84.6	Confident	30 Å²	30	51.8 Å²	51.8	25%	0.248	27%	0.273	C	S	.	.	H	α-helix	trans	-65.4	-41.8	178	0	0	0	0	0	112.1	L83 I84 F90 E91 Y178	L83-A87 VanDerWaalsContact O-CB 3.24Å; L83-A87 WeakPolarHBondContact O-CB 3.43Å; L83-A87 PolarHBondContact O-N 3.45Å; I84-A87 PolarHBondContact O-N 3.16Å; A87-F90 PolarHBondContact O-N 3.36Å; A87-E91 PolarHBondContact O-N 3.31Å; A87-Y178 HydrophobicContact CB-CE2 4.33Å
88	G	89	Confident	82.3	Confident	44 Å²	44	55.8 Å²	55.8	45%	0.454	28%	0.284	S	S	.	.	H	α-helix	trans	-62.7	-45.7	175	0	0	0	0	0	112.2	I84 F90 E91 F92	I84-G88 PolarHBondContact O-N 3.2Å; G88-F90 PolarHBondContact O-N 3.13Å; G88-E91 PolarHBondContact O-N 3.31Å; G88-F92 VanDerWaalsContact O-CB 3.29Å; G88-F92 WeakPolarHBondContact O-CB 3.42Å; G88-F92 PolarHBondContact O-N 3.19Å
89	Y	86.6	Confident	79.7	Confident	42 Å²	42	57.7 Å²	57.7	17%	0.165	29%	0.288	C	S	.	.	H	α-helix	trans	-59.2	-43.6	175	179	-94.8	0	0	0	112.2	I85 M86 H93 F110 Y186 M190	I85-Y89 VanDerWaalsContact O-CB 3.27Å; I85-Y89 WeakPolarHBondContact O-CB 3.23Å; I85-Y89 PolarHBondContact O-N 3.29Å; M86-Y89 PolarHBondContact O-N 3.32Å; Y89-H93 AromaticContact CD2-CE1 3.39Å; Y89-H93 WeakPolarHBondContact CD2-CE1 3.43Å; Y89-H93 AromaticContact CD2-ND1 3.66Å; Y89-H93 AromaticContact CE2-CE1 3.21Å; Y89-H93 WeakPolarHBondContact CE2-CE1 3.41Å; Y89-H93 AromaticContact CE2-ND1 3.62Å; Y89-H93 AromaticContact CE2-NE2 3.97Å; Y89-H93 AromaticContact CZ-CE1 3.92Å; Y89-H93 AromaticContact CZ-ND1 3.96Å; Y89-H93 PolarHBondContact O-N 2.64Å; Y89-H93 PolarHBondContact O-ND1 2.88Å; Y89-F110 AromaticContact CE1-CE2 3.79Å; Y89-F110 HydrophobicContact CE1-CE2 3.79Å; Y89-Y186 HydrophobicContact CE2-CD2 4.44Å; Y89-Y186 HydrophobicContact CE2-CE2 4.47Å; Y89-Y186 WeakPolarHBondContact OH-CD2 2.99Å; Y89-M190 HydrophobicContact CD1-CE 3.38Å; Y89-M190 HydrophobicContact CD2-CE 4.18Å; Y89-M190 HydrophobicContact CE1-CE 3.49Å; Y89-M190 VanDerWaalsContact CE1-CE 3.49Å; Y89-M190 HydrophobicContact CE2-CE 4.27Å; Y89-M190 HydrophobicContact CG-CE 3.77Å
90	F	83.2	Confident	77.4	Confident	8 Å²	8	58.8 Å²	58.8	4%	0.035	30%	0.298	C	S	.	.	H	α-helix	trans	-72.7	-35.6	179.7	-65.9	-33.7	0	0	0	114.4	M86 A87 G88 R94 F174 Y178 L181 I183	M86-F90 HydrophobicContact CB-CE2 4.4Å; M86-F90 HydrophobicContact CE-CE2 3.9Å; M86-F90 HydrophobicContact CE-CZ 3.63Å; M86-F90 WeakPolarHBondContact O-CD2 3.46Å; M86-F90 VanDerWaalsContact O-CG 3.26Å; M86-F90 WeakPolarHBondContact O-CG 3.3Å; M86-F90 PolarHBondContact O-N 3.47Å; M86-F90 HydrophobicContact SD-CZ 4.35Å; A87-F90 PolarHBondContact O-N 3.36Å; G88-F90 PolarHBondContact O-N 3.13Å; F90-R94 WeakPolarHBondContact O-CB 3.22Å; F90-R94 PolarHBondContact O-N 3.45Å; F90-F174 HydrophobicContact CD2-CE2 4.16Å; F90-F174 AromaticContact CE2-CE2 3.83Å; F90-F174 HydrophobicContact CE2-CE2 3.83Å; F90-F174 AromaticContact CE2-CZ 3.95Å; F90-F174 HydrophobicContact CE2-CZ 3.95Å; F90-Y178 HydrophobicContact CB-CE1 4.06Å; F90-Y178 HydrophobicContact CD2-CD1 4.25Å; F90-Y178 HydrophobicContact CD2-CD2 4.25Å; F90-Y178 HydrophobicContact CD2-CE1 4.26Å; F90-Y178 HydrophobicContact CD2-CE2 4.28Å; F90-Y178 HydrophobicContact CD2-CG 4.24Å; F90-L181 HydrophobicContact CB-CD1 4.3Å; F90-L181 HydrophobicContact CD1-CD1 3.95Å; F90-L181 HydrophobicContact CD1-CD2 4.29Å; F90-L181 HydrophobicContact CD2-CD1 3.65Å; F90-L181 HydrophobicContact CE1-CD1 4.15Å; F90-L181 HydrophobicContact CE1-CD2 3.78Å; F90-L181 HydrophobicContact CE2-CD1 3.86Å; F90-L181 HydrophobicContact CE2-CD2 4.3Å; F90-L181 HydrophobicContact CG-CD1 3.71Å; F90-L181 HydrophobicContact CZ-CD1 4.12Å; F90-L181 HydrophobicContact CZ-CD2 3.79Å; F90-I183 HydrophobicContact CE1-CD1 4.37Å; F90-I183 HydrophobicContact CE1-CG1 4.29Å; F90-I183 HydrophobicContact CZ-CD1 3.77Å; F90-I183 HydrophobicContact CZ-CG1 4.06Å
91	E	83.2	Confident	75.1	Confident	67 Å²	67	62.3 Å²	62.3	31%	0.313	32%	0.319	S	S	.	.	H	α-helix	trans	-77.5	-32.4	177.7	-72.7	-70.8	161.1	0	0	112.2	A87 G88 R94 R177 Y178	A87-E91 PolarHBondContact O-N 3.31Å; G88-E91 PolarHBondContact O-N 3.31Å; E91-R94 WeakPolarHBondContact O-CB 3.47Å; E91-R94 PolarHBondContact O-N 3.2Å; E91-R94 IonicContact OE1-NH1 2.77Å; E91-R94 WeakPolarHBondContact OE2-CD 3.5Å; E91-R94 IonicContact OE2-CZ 2.81Å; E91-R94 IonicContact OE2-NE 2.66Å; E91-R94 IonicContact OE2-NH1 3.82Å; E91-R94 PolarHBondContact OE2-NH1 2.74Å; E91-R177 IonicContact OE1-CZ 3.92Å; E91-R177 IonicContact OE1-NE 3.72Å; E91-R177 PolarHBondContact OE1-NE 3.42Å; E91-R177 IonicContact OE1-NH2 3.49Å; E91-R177 PolarHBondContact OE1-NH2 3.38Å; E91-R177 IonicContact OE2-NH2 2.59Å; E91-Y178 WeakPolarHBondContact CG-OH 3.15Å; E91-Y178 PolarHBondContact OE1-OH 3.31Å
92	F	82.4	Confident	72.6	Confident	157 Å²	157	67.5 Å²	67.5	69%	0.689	33%	0.332	S	S	*	.	H	α-helix	trans	-61.7	-56.1	174.3	-176.6	-90.2	0	0	0	111.8	G88 R94	G88-F92 VanDerWaalsContact O-CB 3.29Å; G88-F92 WeakPolarHBondContact O-CB 3.42Å; G88-F92 PolarHBondContact O-N 3.19Å; F92-R94 PolarHBondContact O-N 3.36Å
93	H	72.7	Confident	70	Confident	39 Å²	39	74.2 Å²	74.2	18%	0.181	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	1.6	-178.1	-55.5	88	0	0	0	113.2	Y89 M95 E96 F110	Y89-H93 AromaticContact CD2-CE1 3.39Å; Y89-H93 WeakPolarHBondContact CD2-CE1 3.43Å; Y89-H93 AromaticContact CD2-ND1 3.66Å; Y89-H93 AromaticContact CE2-CE1 3.21Å; Y89-H93 WeakPolarHBondContact CE2-CE1 3.41Å; Y89-H93 AromaticContact CE2-ND1 3.62Å; Y89-H93 AromaticContact CE2-NE2 3.97Å; Y89-H93 AromaticContact CZ-CE1 3.92Å; Y89-H93 AromaticContact CZ-ND1 3.96Å; Y89-H93 PolarHBondContact O-N 2.64Å; Y89-H93 PolarHBondContact O-ND1 2.88Å; H93-M95 PolarHBondContact O-N 3.2Å; H93-M95 VanDerWaalsContact O-N 3.13Å; H93-E96 IonicContact CD2-OE1 3.79Å; H93-E96 IonicContact CD2-OE2 3.57Å; H93-E96 PolarHBondContact CD2-OE2 3.44Å; H93-E96 PolarHBondContact O-N 3.01Å; H93-F110 HydrophobicContact CB-CD1 3.5Å; H93-F110 VanDerWaalsContact CB-CD1 3.5Å; H93-F110 HydrophobicContact CB-CD2 3.92Å; H93-F110 HydrophobicContact CB-CE1 3.31Å; H93-F110 HydrophobicContact CB-CE2 3.74Å; H93-F110 HydrophobicContact CB-CG 3.8Å; H93-F110 HydrophobicContact CB-CZ 3.43Å; H93-F110 VanDerWaalsContact CB-CZ 3.43Å; H93-F110 WeakPolarHBondContact O-CD1 3.22Å; H93-F110 WeakPolarHBondContact O-CE1 3.32Å
94	R	70.3	Confident	67.6	Low	71 Å²	71	77.2 Å²	77.2	27%	0.268	39%	0.389	S	S	.	.	H	α-helix	trans	-61.6	-24.7	-173.6	-152.6	-170.9	74.5	-163.6	2.2	114.1	F90 E91 F92 T97 F98	F90-R94 WeakPolarHBondContact O-CB 3.22Å; F90-R94 PolarHBondContact O-N 3.45Å; E91-R94 WeakPolarHBondContact O-CB 3.47Å; E91-R94 PolarHBondContact O-N 3.2Å; E91-R94 IonicContact OE1-NH1 2.77Å; E91-R94 WeakPolarHBondContact OE2-CD 3.5Å; E91-R94 IonicContact OE2-CZ 2.81Å; E91-R94 IonicContact OE2-NE 2.66Å; E91-R94 IonicContact OE2-NH1 3.82Å; E91-R94 PolarHBondContact OE2-NH1 2.74Å; F92-R94 PolarHBondContact O-N 3.36Å; R94-T97 PolarHBondContact O-OG1 2.88Å; R94-F98 WeakPolarHBondContact O-CD2 3.36Å
95	M	56.8	Low	64.6	Low	117 Å²	117	77.5 Å²	77.5	58%	0.576	40%	0.395	S	S	*	.	H	α-helix	trans	-82.3	-36.5	-179	-58.2	-53.8	-177.3	0	0	111.8	H93 T97 F98 E99	H93-M95 PolarHBondContact O-N 3.2Å; H93-M95 VanDerWaalsContact O-N 3.13Å; M95-T97 VanDerWaalsContact C-N 3.27Å; M95-T97 PolarHBondContact O-N 3.48Å; M95-F98 PolarHBondContact O-N 3.27Å; M95-F98 VanDerWaalsContact O-N 3.12Å; M95-E99 PolarHBondContact O-N 3.44Å
96	E	58.5	Low	62.2	Low	73 Å²	73	76.3 Å²	76.3	34%	0.341	40%	0.402	S	S	.	.	H	α-helix	trans	-57.5	-40.2	178.4	-56.6	178.9	171.4	0	0	111.5	H93 A100 F110	H93-E96 IonicContact CD2-OE1 3.79Å; H93-E96 IonicContact CD2-OE2 3.57Å; H93-E96 PolarHBondContact CD2-OE2 3.44Å; H93-E96 PolarHBondContact O-N 3.01Å; E96-A100 VanDerWaalsContact O-CB 3.31Å; E96-A100 WeakPolarHBondContact O-CB 3.18Å; E96-A100 PolarHBondContact O-N 3.12Å; E96-F110 HydrophobicContact CB-CD1 4.32Å; E96-F110 WeakPolarHBondContact OE2-CB 3.3Å
97	T	51.2	Low	59.6	Low	7 Å²	7	79.6 Å²	79.6	4%	0.043	42%	0.424	C	S	.	.	H	α-helix	trans	-71	-32.9	177.2	36.2	0	0	0	0	114.6	R94 M95 V101 F110 V112	R94-T97 PolarHBondContact O-OG1 2.88Å; M95-T97 VanDerWaalsContact C-N 3.27Å; M95-T97 PolarHBondContact O-N 3.48Å; T97-V101 VanDerWaalsContact O-CG2 3.27Å; T97-V101 WeakPolarHBondContact O-CG2 3.23Å; T97-V101 PolarHBondContact O-N 3.46Å; T97-F110 HydrophobicContact CG2-CD1 3.46Å; T97-F110 VanDerWaalsContact CG2-CD1 3.46Å; T97-F110 HydrophobicContact CG2-CE1 3.43Å; T97-F110 VanDerWaalsContact CG2-CE1 3.43Å; T97-V112 WeakPolarHBondContact CB-O 3.24Å; T97-V112 HydrophobicContact CG2-CB 4.03Å; T97-V112 WeakPolarHBondContact CG2-O 3.15Å
98	F	47.1	Very low	57.2	Low	122 Å²	122	80.5 Å²	80.5	54%	0.535	43%	0.426	S	S	.	.	H	α-helix	trans	-73.1	-41.6	173.8	-92.2	-81.2	0	0	0	111.4	R94 M95 V101 Y102 F114	R94-F98 WeakPolarHBondContact O-CD2 3.36Å; M95-F98 PolarHBondContact O-N 3.27Å; M95-F98 VanDerWaalsContact O-N 3.12Å; F98-V101 PolarHBondContact O-N 2.92Å; F98-Y102 WeakPolarHBondContact O-CB 3.27Å; F98-Y102 PolarHBondContact O-N 3.41Å; F98-F114 HydrophobicContact CE2-CE2 4.19Å
99	E	43.5	Very low	54.8	Low	99 Å²	99	83.2 Å²	83.2	46%	0.463	44%	0.436	S	S	.	.	H	α-helix	trans	-65.1	-39.9	178	-174.8	152.9	-145.7	0	0	112.2	M95 V101 Y102 R103	M95-E99 PolarHBondContact O-N 3.44Å; E99-V101 PolarHBondContact O-N 2.91Å; E99-Y102 PolarHBondContact O-N 2.8Å; E99-R103 HydrophobicContact CG-CG 4.09Å; E99-R103 WeakPolarHBondContact O-CB 3.14Å; E99-R103 WeakPolarHBondContact O-CG 3.39Å; E99-R103 PolarHBondContact O-N 3.45Å; E99-R103 IonicContact OE1-CZ 3.14Å; E99-R103 IonicContact OE1-NE 3.44Å; E99-R103 PolarHBondContact OE1-NE 2.98Å; E99-R103 IonicContact OE1-NH2 2.68Å; E99-R103 PolarHBondContact OE1-NH2 3.08Å
100	A	47	Very low	52.6	Low	24 Å²	24	81.4 Å²	81.4	20%	0.198	43%	0.429	C	S	.	.	H	α-helix	trans	-59.3	-43.8	172.6	0	0	0	0	0	113.7	E96 Y102 G104 V108	E96-A100 VanDerWaalsContact O-CB 3.31Å; E96-A100 WeakPolarHBondContact O-CB 3.18Å; E96-A100 PolarHBondContact O-N 3.12Å; A100-Y102 VanDerWaalsContact C-N 3.3Å; A100-G104 PolarHBondContact O-N 3.39Å; A100-V108 HydrophobicContact CB-CB 4.13Å; A100-V108 HydrophobicContact CB-CG1 3.62Å; A100-V108 HydrophobicContact CB-CG2 3.41Å; A100-V108 VanDerWaalsContact CB-CG2 3.41Å
101	V	48.9	Very low	50.7	Low	83 Å²	83	82 Å²	82	50%	0.503	43%	0.434	S	S	.	.	H	α-helix	trans	-68.1	-32.8	178.7	168.9	0	0	0	0	111.1	T97 F98 E99 K113	T97-V101 VanDerWaalsContact O-CG2 3.27Å; T97-V101 WeakPolarHBondContact O-CG2 3.23Å; T97-V101 PolarHBondContact O-N 3.46Å; F98-V101 PolarHBondContact O-N 2.92Å; E99-V101 PolarHBondContact O-N 2.91Å; V101-K113 HydrophobicContact CG2-CG 4.46Å
102	Y	43.6	Very low	48.9	Very low	216 Å²	216	79.2 Å²	79.2	85%	0.847	42%	0.422	S	S	*	.	H	α-helix	trans	-84	-37.3	-178.2	-144.3	-84.2	0	0	0	113.8	F98 E99 A100	F98-Y102 WeakPolarHBondContact O-CB 3.27Å; F98-Y102 PolarHBondContact O-N 3.41Å; E99-Y102 PolarHBondContact O-N 2.8Å; A100-Y102 VanDerWaalsContact C-N 3.3Å
103	R	41	Very low	47	Very low	166 Å²	166	73.4 Å²	73.4	63%	0.626	40%	0.396	S	S	*	.	H	α-helix	trans	-79.5	-21.2	-179.5	-70.5	-172.8	-178.5	-126.1	10.2	114	E99 T105	E99-R103 HydrophobicContact CG-CG 4.09Å; E99-R103 WeakPolarHBondContact O-CB 3.14Å; E99-R103 WeakPolarHBondContact O-CG 3.39Å; E99-R103 PolarHBondContact O-N 3.45Å; E99-R103 IonicContact OE1-CZ 3.14Å; E99-R103 IonicContact OE1-NE 3.44Å; E99-R103 PolarHBondContact OE1-NE 2.98Å; E99-R103 IonicContact OE1-NH2 2.68Å; E99-R103 PolarHBondContact OE1-NH2 3.08Å; R103-T105 PolarHBondContact O-N 3.47Å; R103-T105 PolarHBondContact O-OG1 2.96Å
104	G	46	Very low	45.5	Very low	69 Å²	69	75.4 Å²	75.4	71%	0.711	40%	0.404	S	S	*	.			trans	60.6	14.6	175.5	0	0	0	0	0	115.8	A100	A100-G104 PolarHBondContact O-N 3.39Å
105	T	31.8	Very low	44.3	Very low	110 Å²	110	72.1 Å²	72.1	68%	0.675	39%	0.393	S	S	*	.			trans	-137.8	129.6	-166.6	39.3	0	0	0	0	111.6	R103	R103-T105 PolarHBondContact O-N 3.47Å; R103-T105 PolarHBondContact O-OG1 2.96Å
106	G	43	Very low	43.6	Very low	54 Å²	54	69.9 Å²	69.9	56%	0.557	39%	0.385	S	S	*	.	S	Bend	trans	83.2	168.3	172.3	0	0	0	0	0	116.7
107	P	37	Very low	42.7	Very low	73 Å²	73	70.5 Å²	70.5	47%	0.474	39%	0.387	S	S	.	.			trans	-70.9	131.2	166.3	22.5	-21.3	0	0	0	110.3	T817	P107-T817 HydrophobicContact CB-CG2 4.07Å
108	V	39.3	Very low	42.3	Very low	50 Å²	50	70.3 Å²	70.3	30%	0.303	39%	0.386	S	S	.	.			trans	-89.9	134.5	148.3	-96.6	0	0	0	0	109.4	A100 F110	A100-V108 HydrophobicContact CB-CB 4.13Å; A100-V108 HydrophobicContact CB-CG1 3.62Å; A100-V108 HydrophobicContact CB-CG2 3.41Å; A100-V108 VanDerWaalsContact CB-CG2 3.41Å; V108-F110 WeakPolarHBondContact CB-O 3.49Å; V108-F110 VanDerWaalsContact CG2-O 3.25Å; V108-F110 WeakPolarHBondContact CG2-O 3.5Å; V108-F110 PolarHBondContact O-N 3.23Å
109	P	38.6	Very low	42.4	Very low	101 Å²	101	66.9 Å²	66.9	66%	0.656	37%	0.372	S	S	*	.	S	Bend	trans	-76.3	24.1	167.4	36.4	-36.8	0	0	0	112.1	Q185	P109-Q185 PolarHBondContact O-NE2 3.37Å; P109-Q185 PolarHBondContact O-OE1 3.49Å
110	F	38.7	Very low	42.8	Very low	4 Å²	4	69.6 Å²	69.6	2%	0.018	38%	0.382	C	S	.	.			trans	-160.6	115.9	172	177.7	-100.9	0	0	0	109.7	Y89 H93 E96 T97 V108 V112	Y89-F110 AromaticContact CE1-CE2 3.79Å; Y89-F110 HydrophobicContact CE1-CE2 3.79Å; H93-F110 HydrophobicContact CB-CD1 3.5Å; H93-F110 VanDerWaalsContact CB-CD1 3.5Å; H93-F110 HydrophobicContact CB-CD2 3.92Å; H93-F110 HydrophobicContact CB-CE1 3.31Å; H93-F110 HydrophobicContact CB-CE2 3.74Å; H93-F110 HydrophobicContact CB-CG 3.8Å; H93-F110 HydrophobicContact CB-CZ 3.43Å; H93-F110 VanDerWaalsContact CB-CZ 3.43Å; H93-F110 WeakPolarHBondContact O-CD1 3.22Å; H93-F110 WeakPolarHBondContact O-CE1 3.32Å; E96-F110 HydrophobicContact CB-CD1 4.32Å; E96-F110 WeakPolarHBondContact OE2-CB 3.3Å; T97-F110 HydrophobicContact CG2-CD1 3.46Å; T97-F110 VanDerWaalsContact CG2-CD1 3.46Å; T97-F110 HydrophobicContact CG2-CE1 3.43Å; T97-F110 VanDerWaalsContact CG2-CE1 3.43Å; V108-F110 WeakPolarHBondContact CB-O 3.49Å; V108-F110 VanDerWaalsContact CG2-O 3.25Å; V108-F110 WeakPolarHBondContact CG2-O 3.5Å; V108-F110 PolarHBondContact O-N 3.23Å; F110-V112 HydrophobicContact CD2-CG2 4.45Å; F110-V112 HydrophobicContact CE1-CB 3.78Å; F110-V112 HydrophobicContact CE1-CG2 4.02Å; F110-V112 HydrophobicContact CE2-CB 4.23Å; F110-V112 HydrophobicContact CE2-CG2 3.52Å; F110-V112 HydrophobicContact CZ-CB 3.51Å; F110-V112 HydrophobicContact CZ-CG2 3.26Å
111	S	44.5	Very low	43.2	Very low	20 Å²	20	68.8 Å²	68.8	14%	0.14	38%	0.375	C	S	.	.			trans	-130.6	52.8	-175.4	176.6	0	0	0	0	112.8	K113	S111-K113 PolarHBondContact O-N 2.96Å; S111-K113 WeakPolarHBondContact OG-CD 3.17Å; S111-K113 WeakPolarHBondContact OG-CE 3.09Å; S111-K113 PolarHBondContact OG-NZ 2.83Å
112	V	44.8	Very low	44	Very low	9 Å²	9	66.2 Å²	66.2	6%	0.055	36%	0.358	C	S	.	.			trans	-67	84	163.1	172	0	0	0	0	110.2	T97 F110 L181	T97-V112 WeakPolarHBondContact CB-O 3.24Å; T97-V112 HydrophobicContact CG2-CB 4.03Å; T97-V112 WeakPolarHBondContact CG2-O 3.15Å; F110-V112 HydrophobicContact CD2-CG2 4.45Å; F110-V112 HydrophobicContact CE1-CB 3.78Å; F110-V112 HydrophobicContact CE1-CG2 4.02Å; F110-V112 HydrophobicContact CE2-CB 4.23Å; F110-V112 HydrophobicContact CE2-CG2 3.52Å; F110-V112 HydrophobicContact CZ-CB 3.51Å; F110-V112 HydrophobicContact CZ-CG2 3.26Å; V112-L181 HydrophobicContact CB-CD2 4.5Å; V112-L181 HydrophobicContact CG1-CD1 3.89Å; V112-L181 HydrophobicContact CG1-CD2 3.57Å; V112-L181 HydrophobicContact CG1-CG 3.4Å; V112-L181 VanDerWaalsContact CG1-CG 3.4Å; V112-L181 HydrophobicContact CG2-CD2 4.05Å
113	K	42.6	Very low	45.2	Very low	34 Å²	34	61.5 Å²	61.5	15%	0.148	35%	0.347	C	S	.	.			trans	-87.1	118.8	174.3	-71.8	169.2	-176.5	153.1	0	108.6	V101 S111 S115 I286	V101-K113 HydrophobicContact CG2-CG 4.46Å; S111-K113 PolarHBondContact O-N 2.96Å; S111-K113 WeakPolarHBondContact OG-CD 3.17Å; S111-K113 WeakPolarHBondContact OG-CE 3.09Å; S111-K113 PolarHBondContact OG-NZ 2.83Å; K113-S115 PolarHBondContact O-N 3.43Å; K113-I286 HydrophobicContact CB-CD1 4.21Å; K113-I286 HydrophobicContact CB-CG1 4.32Å; K113-I286 HydrophobicContact CB-CG2 3.82Å; K113-I286 HydrophobicContact CD-CD1 4.31Å; K113-I286 HydrophobicContact CD-CG2 3.48Å; K113-I286 VanDerWaalsContact CD-CG2 3.48Å; K113-I286 HydrophobicContact CG-CG2 4.27Å
114	F	42.5	Very low	46.6	Very low	81 Å²	81	59.7 Å²	59.7	36%	0.355	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-62.4	120	173.1	-68.8	-83.4	0	0	0	109.6	F98 V116	F98-F114 HydrophobicContact CE2-CE2 4.19Å; F114-V116 PolarHBondContact O-N 3.39Å
115	S	43.2	Very low	47.9	Very low	3 Å²	3	57.2 Å²	57.2	2%	0.021	31%	0.312	C	S	.	.			trans	-73.2	102.9	174.8	-175.5	0	0	0	0	109.4	K113 K117 G118 R180 F285	K113-S115 PolarHBondContact O-N 3.43Å; S115-K117 PolarHBondContact O-N 2.93Å; S115-G118 PolarHBondContact O-N 2.89Å; S115-G118 WeakPolarHBondContact OG-CA 3.08Å; S115-G118 PolarHBondContact OG-N 2.72Å; S115-R180 PolarHBondContact N-O 3.47Å; S115-R180 WeakPolarHBondContact O-CD 3.46Å; S115-F285 WeakPolarHBondContact CB-O 3.47Å; S115-F285 PolarHBondContact OG-O 3.3Å
116	V	42.4	Very low	50.2	Low	69 Å²	69	54.3 Å²	54.3	42%	0.418	29%	0.288	S	S	.	.	S	Bend	trans	-58.6	-36.2	-179.7	-177.6	0	0	0	0	111	F114 R180	F114-V116 PolarHBondContact O-N 3.39Å; V116-R180 PolarHBondContact O-NH1 3.5Å
117	K	40.6	Very low	52	Low	87 Å²	87	56.9 Å²	56.9	38%	0.378	29%	0.288	S	S	.	.	S	Bend	trans	-103	-8.3	-176.4	-140.5	-179.9	-174	-178	0	114.1	S115 E119 E287 E546	S115-K117 PolarHBondContact O-N 2.93Å; K117-E119 PolarHBondContact O-N 3.45Å; K117-E287 VanDerWaalsContact CD-CD 3.44Å; K117-E287 WeakPolarHBondContact CD-OE1 3.28Å; K117-E287 VanDerWaalsContact CD-OE2 3.26Å; K117-E287 WeakPolarHBondContact CD-OE2 3.23Å; K117-E287 WeakPolarHBondContact CE-OE2 3.39Å; K117-E287 IonicContact NZ-OE1 3.46Å; K117-E287 PolarHBondContact NZ-OE1 3.28Å; K117-E287 IonicContact NZ-OE2 3.48Å; K117-E287 PolarHBondContact NZ-OE2 3.32Å; K117-E546 IonicContact NZ-OE1 3.92Å
118	G	42.7	Very low	54.1	Low	3 Å²	3	54 Å²	54	3%	0.031	27%	0.273	C	S	.	.	S	Bend	trans	-54.8	129.7	-177.7	0	0	0	0	0	110.1	S115 K120	S115-G118 PolarHBondContact O-N 2.89Å; S115-G118 WeakPolarHBondContact OG-CA 3.08Å; S115-G118 PolarHBondContact OG-N 2.72Å; G118-K120 PolarHBondContact O-N 3.03Å; G118-K120 VanDerWaalsContact O-N 3.17Å
119	E	48.2	Very low	56.5	Low	50 Å²	50	51.7 Å²	51.7	23%	0.234	26%	0.258	C	S	.	.			trans	-42.4	119.5	-156.9	-172.7	175.8	174.1	0	0	111	K117 V121 R279 K536	K117-E119 PolarHBondContact O-N 3.45Å; E119-V121 VanDerWaalsContact C-N 3.28Å; E119-V121 PolarHBondContact O-N 3.08Å; E119-R279 PolarHBondContact O-NH1 2.81Å; E119-R279 PolarHBondContact O-NH2 2.67Å; E119-R279 VanDerWaalsContact O-NH2 3.11Å; E119-K536 WeakPolarHBondContact OE1-CE 3.39Å; E119-K536 IonicContact OE1-NZ 2.76Å; E119-K536 PolarHBondContact OE1-NZ 2.7Å; E119-K536 IonicContact OE2-NZ 2.76Å
120	K	52.3	Low	58.9	Low	155 Å²	155	48.6 Å²	48.6	67%	0.674	24%	0.242	S	C	*	.			trans	-67.7	85.9	-164.7	-76.9	178.1	-179.1	166	0	110	G118 N122	G118-K120 PolarHBondContact O-N 3.03Å; G118-K120 VanDerWaalsContact O-N 3.17Å; K120-N122 VanDerWaalsContact O-CA 3.3Å; K120-N122 WeakPolarHBondContact O-CA 3.17Å; K120-N122 PolarHBondContact O-N 3.34Å
121	V	56.4	Low	61.4	Low	8 Å²	8	53.5 Å²	53.5	5%	0.048	27%	0.266	C	S	.	.			trans	-38.7	111.7	174.3	-178.7	0	0	0	0	108.6	E119 L125 R126 H179 L272	E119-V121 VanDerWaalsContact C-N 3.28Å; E119-V121 PolarHBondContact O-N 3.08Å; V121-L125 HydrophobicContact CG1-CD2 4.3Å; V121-R126 HydrophobicContact CG1-CG 3.92Å; V121-R126 PolarHBondContact O-NE 3.4Å; V121-R126 PolarHBondContact O-NH2 3.16Å; V121-R126 VanDerWaalsContact O-NH2 3.09Å; V121-H179 HydrophobicContact CB-CB 4.45Å; V121-H179 HydrophobicContact CG2-CB 4.17Å; V121-L272 HydrophobicContact CG1-CD2 3.28Å
122	N	64.4	Low	63.5	Low	28 Å²	28	53.3 Å²	53.3	15%	0.15	26%	0.262	C	S	.	.			trans	-59.3	142	-151.6	-160.7	-2	0	0	0	110.1	K120 Y124 L125 R126 S531	K120-N122 VanDerWaalsContact O-CA 3.3Å; K120-N122 WeakPolarHBondContact O-CA 3.17Å; K120-N122 PolarHBondContact O-N 3.34Å; N122-Y124 PolarHBondContact O-N 3.45Å; N122-Y124 WeakPolarHBondContact OD1-CD2 3.26Å; N122-L125 HydrophobicContact CB-CB 4.08Å; N122-L125 WeakPolarHBondContact O-CA 3.5Å; N122-L125 VanDerWaalsContact O-CB 3.31Å; N122-L125 WeakPolarHBondContact O-CB 3.32Å; N122-L125 PolarHBondContact O-N 3.04Å; N122-R126 PolarHBondContact O-N 2.85Å; N122-R126 VanDerWaalsContact O-N 3.08Å; N122-S531 PolarHBondContact ND2-O 3.09Å; N122-S531 PolarHBondContact ND2-OG 2.88Å
123	L	69.4	Low	65.8	Low	117 Å²	117	52.9 Å²	52.9	61%	0.613	26%	0.26	S	S	*	.	H	α-helix	trans	-59.6	-37.1	-174	-175.6	63.4	0	0	0	110.8	R126 L127	L123-R126 PolarHBondContact O-N 3.4Å; L123-L127 WeakPolarHBondContact O-CB 3.5Å; L123-L127 PolarHBondContact O-N 3.41Å
124	Y	69.9	Low	68.2	Low	128 Å²	128	56.9 Å²	56.9	50%	0.502	28%	0.282	S	S	.	.	H	α-helix	trans	-61.1	-39.2	172.6	-53.8	-75.6	0	0	0	113.1	N122 L127 G128	N122-Y124 PolarHBondContact O-N 3.45Å; N122-Y124 WeakPolarHBondContact OD1-CD2 3.26Å; Y124-L127 PolarHBondContact O-N 3.34Å; Y124-G128 PolarHBondContact O-N 2.83Å
125	L	72.8	Confident	70.5	Confident	18 Å²	18	55.8 Å²	55.8	9%	0.094	28%	0.279	C	S	.	.	H	α-helix	trans	-68	-41.1	-179.4	-154.2	67.7	0	0	0	111	V121 N122 L129 L268 L272 V528	V121-L125 HydrophobicContact CG1-CD2 4.3Å; N122-L125 HydrophobicContact CB-CB 4.08Å; N122-L125 WeakPolarHBondContact O-CA 3.5Å; N122-L125 VanDerWaalsContact O-CB 3.31Å; N122-L125 WeakPolarHBondContact O-CB 3.32Å; N122-L125 PolarHBondContact O-N 3.04Å; L125-L129 PolarHBondContact O-N 2.99Å; L125-L129 VanDerWaalsContact O-N 3.09Å; L125-L268 HydrophobicContact CD1-CD1 3.32Å; L125-L268 HydrophobicContact CG-CD1 3.64Å; L125-L272 HydrophobicContact CD2-CD2 3.64Å; L125-L272 HydrophobicContact CD2-CG 4.38Å; L125-L272 HydrophobicContact CG-CD2 4.14Å; L125-V528 HydrophobicContact CD1-CG1 3.92Å; L125-V528 HydrophobicContact CD1-CG2 3.89Å
126	R	81.5	Confident	72.8	Confident	49 Å²	49	55.6 Å²	55.6	19%	0.185	28%	0.278	C	S	.	.	H	α-helix	trans	-73.2	-34.4	174.4	-75.6	-176.8	-69	122.1	5.3	113.3	V121 N122 L123 L129 A130 L176	V121-R126 HydrophobicContact CG1-CG 3.92Å; V121-R126 PolarHBondContact O-NE 3.4Å; V121-R126 PolarHBondContact O-NH2 3.16Å; V121-R126 VanDerWaalsContact O-NH2 3.09Å; N122-R126 PolarHBondContact O-N 2.85Å; N122-R126 VanDerWaalsContact O-N 3.08Å; L123-R126 PolarHBondContact O-N 3.4Å; R126-L129 PolarHBondContact O-N 2.82Å; R126-A130 PolarHBondContact O-N 3.01Å; R126-L176 HydrophobicContact CB-CD2 3.64Å; R126-L176 HydrophobicContact CG-CD2 3.92Å
127	L	81.3	Confident	75.3	Confident	107 Å²	107	54.2 Å²	54.2	56%	0.56	27%	0.268	S	S	*	.	H	α-helix	trans	-66.5	-42.8	172.5	-176.6	63.5	0	0	0	111.2	L123 Y124 L129 A130 M131	L123-L127 WeakPolarHBondContact O-CB 3.5Å; L123-L127 PolarHBondContact O-N 3.41Å; Y124-L127 PolarHBondContact O-N 3.34Å; L127-L129 VanDerWaalsContact C-N 3.34Å; L127-L129 PolarHBondContact O-N 2.93Å; L127-A130 PolarHBondContact O-N 3.01Å; L127-M131 WeakPolarHBondContact O-CG 3.46Å; L127-M131 PolarHBondContact O-N 3.49Å
128	G	80.7	Confident	77.7	Confident	14 Å²	14	51.5 Å²	51.5	14%	0.144	26%	0.264	C	S	.	.	H	α-helix	trans	-57.9	-44.3	173.6	0	0	0	0	0	112.3	Y124 A130 M131 F132	Y124-G128 PolarHBondContact O-N 2.83Å; G128-A130 VanDerWaalsContact C-N 3.34Å; G128-A130 PolarHBondContact O-N 3.38Å; G128-M131 PolarHBondContact O-N 2.98Å; G128-F132 WeakPolarHBondContact O-CB 3.5Å; G128-F132 VanDerWaalsContact O-CD2 3.29Å; G128-F132 WeakPolarHBondContact O-CD2 3.41Å; G128-F132 WeakPolarHBondContact O-CG 3.45Å; G128-F132 PolarHBondContact O-N 3.38Å
129	L	88.1	Confident	79.9	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.6	-42.2	177.8	-171.9	76.3	0	0	0	111.9	L125 R126 L127 G133 T172 I175 Y265 L268 A269 L272	L125-L129 PolarHBondContact O-N 2.99Å; L125-L129 VanDerWaalsContact O-N 3.09Å; R126-L129 PolarHBondContact O-N 2.82Å; L127-L129 VanDerWaalsContact C-N 3.34Å; L127-L129 PolarHBondContact O-N 2.93Å; L129-G133 PolarHBondContact O-N 2.73Å; L129-T172 HydrophobicContact CD2-CG2 4.49Å; L129-T172 HydrophobicContact CG-CG2 4.37Å; L129-I175 HydrophobicContact CD2-CB 3.76Å; L129-I175 HydrophobicContact CD2-CD1 4.15Å; L129-I175 HydrophobicContact CD2-CG2 3.61Å; L129-Y265 HydrophobicContact CD1-CD2 3.85Å; L129-Y265 HydrophobicContact CD1-CE2 3.45Å; L129-Y265 VanDerWaalsContact CD1-CE2 3.45Å; L129-Y265 HydrophobicContact CG-CE2 3.96Å; L129-L268 HydrophobicContact CB-CD2 3.96Å; L129-L268 HydrophobicContact CB-CG 4.39Å; L129-L268 HydrophobicContact CD1-CD2 4.3Å; L129-L268 HydrophobicContact CD1-CG 4.14Å; L129-L268 VanDerWaalsContact N-CD2 3.29Å; L129-A269 HydrophobicContact CD1-CB 4.03Å; L129-L272 HydrophobicContact CB-CD1 4.28Å; L129-L272 HydrophobicContact CD1-CD1 4.21Å; L129-L272 HydrophobicContact CD2-CD1 3.89Å; L129-L272 HydrophobicContact CG-CD1 4.35Å
130	A	91	Very high	82	Confident	37 Å²	37	49.2 Å²	49.2	31%	0.306	25%	0.253	S	S	.	.	H	α-helix	trans	-64.7	-43.8	176.1	0	0	0	0	0	112.3	R126 L127 G128 L134 L176	R126-A130 PolarHBondContact O-N 3.01Å; L127-A130 PolarHBondContact O-N 3.01Å; G128-A130 VanDerWaalsContact C-N 3.34Å; G128-A130 PolarHBondContact O-N 3.38Å; A130-L134 WeakPolarHBondContact O-CB 3.4Å; A130-L134 PolarHBondContact O-N 3.41Å; A130-L134 VanDerWaalsContact O-N 3.07Å; A130-L176 HydrophobicContact CB-CD1 4.34Å
131	M	89.2	Confident	83.8	Confident	107 Å²	107	44 Å²	44	53%	0.527	24%	0.239	S	C	.	.	H	α-helix	trans	-66.2	-50	179.3	-71.8	-60.8	-59.7	0	0	112.3	L127 G128 G133 L134 M135	L127-M131 WeakPolarHBondContact O-CG 3.46Å; L127-M131 PolarHBondContact O-N 3.49Å; G128-M131 PolarHBondContact O-N 2.98Å; M131-G133 VanDerWaalsContact C-N 3.34Å; M131-G133 PolarHBondContact O-N 3.5Å; M131-L134 PolarHBondContact O-N 2.95Å; M131-M135 WeakPolarHBondContact O-CB 3.47Å; M131-M135 PolarHBondContact O-N 2.94Å
132	F	90	Very high	85.3	Confident	15 Å²	15	45 Å²	45	7%	0.066	24%	0.244	C	C	.	.	H	α-helix	trans	-70	-30.5	178.9	-62.4	-45.6	0	0	0	112.3	G128 M135 S136 E264 Y265 L268 W484 Y524	G128-F132 WeakPolarHBondContact O-CB 3.5Å; G128-F132 VanDerWaalsContact O-CD2 3.29Å; G128-F132 WeakPolarHBondContact O-CD2 3.41Å; G128-F132 WeakPolarHBondContact O-CG 3.45Å; G128-F132 PolarHBondContact O-N 3.38Å; F132-M135 HydrophobicContact CD1-CE 3.92Å; F132-M135 HydrophobicContact CE1-CE 4.24Å; F132-M135 PolarHBondContact O-N 3.3Å; F132-S136 VanDerWaalsContact O-CB 3.32Å; F132-S136 WeakPolarHBondContact O-CB 3.35Å; F132-S136 PolarHBondContact O-N 2.93Å; F132-S136 PolarHBondContact O-OG 3.04Å; F132-E264 HydrophobicContact CD2-CB 3.97Å; F132-E264 HydrophobicContact CE1-CB 4.44Å; F132-E264 HydrophobicContact CE2-CB 3.81Å; F132-E264 HydrophobicContact CG-CB 4.36Å; F132-E264 HydrophobicContact CZ-CB 4.06Å; F132-E264 HydrophobicContact CZ-CG 4.38Å; F132-Y265 HydrophobicContact CB-CD2 4.23Å; F132-L268 HydrophobicContact CD2-CD2 3.96Å; F132-L268 HydrophobicContact CE2-CD2 4.43Å; F132-W484 AromaticContact CE1-CH2 3.61Å; F132-W484 HydrophobicContact CE1-CH2 3.61Å; F132-W484 HydrophobicContact CE1-CZ2 4.08Å; F132-W484 HydrophobicContact CE1-CZ3 4.26Å; F132-W484 AromaticContact CZ-CH2 3.93Å; F132-W484 HydrophobicContact CZ-CH2 3.93Å; F132-W484 HydrophobicContact CZ-CZ2 4.13Å; F132-W484 HydrophobicContact CZ-CZ3 4.39Å; F132-Y524 HydrophobicContact CE2-CD2 4.36Å; F132-Y524 AromaticContact CE2-CE2 3.64Å; F132-Y524 HydrophobicContact CE2-CE2 3.64Å; F132-Y524 AromaticContact CE2-CZ 3.98Å; F132-Y524 HydrophobicContact CZ-CD2 4.45Å; F132-Y524 HydrophobicContact CZ-CE2 4.02Å
133	G	92.4	Very high	86.3	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-63.5	-46.9	172.5	0	0	0	0	0	111.8	L129 M131 M135 S136 I137 Y265	L129-G133 PolarHBondContact O-N 2.73Å; M131-G133 VanDerWaalsContact C-N 3.34Å; M131-G133 PolarHBondContact O-N 3.5Å; G133-M135 VanDerWaalsContact C-N 3.33Å; G133-M135 PolarHBondContact O-N 2.97Å; G133-S136 PolarHBondContact O-N 3.34Å; G133-I137 WeakPolarHBondContact O-CD1 3.41Å; G133-I137 VanDerWaalsContact O-CG1 3.31Å; G133-I137 WeakPolarHBondContact O-CG1 3.41Å; G133-I137 PolarHBondContact O-N 3.4Å; G133-Y265 VanDerWaalsContact CA-CD2 3.46Å; G133-Y265 VanDerWaalsContact N-CD2 3.33Å
134	L	92.9	Very high	87.1	Confident	117 Å²	117	41.6 Å²	41.6	61%	0.613	23%	0.226	S	C	*	.	H	α-helix	trans	-62.6	-38.3	174.6	-178.8	61.9	0	0	0	112.5	A130 M131 I137 G138	A130-L134 WeakPolarHBondContact O-CB 3.4Å; A130-L134 PolarHBondContact O-N 3.41Å; A130-L134 VanDerWaalsContact O-N 3.07Å; M131-L134 PolarHBondContact O-N 2.95Å; L134-I137 WeakPolarHBondContact O-CB 3.28Å; L134-I137 PolarHBondContact O-N 2.86Å; L134-G138 PolarHBondContact O-N 2.88Å
135	M	90.2	Very high	87.9	Confident	58 Å²	58	38.7 Å²	38.7	29%	0.286	22%	0.221	S	C	.	.	H	α-helix	trans	-75.4	-29.9	-179.8	-157.5	148.2	45.4	0	0	112.4	M131 F132 G133 G138 H139 L258 T261	M131-M135 WeakPolarHBondContact O-CB 3.47Å; M131-M135 PolarHBondContact O-N 2.94Å; F132-M135 HydrophobicContact CD1-CE 3.92Å; F132-M135 HydrophobicContact CE1-CE 4.24Å; F132-M135 PolarHBondContact O-N 3.3Å; G133-M135 VanDerWaalsContact C-N 3.33Å; G133-M135 PolarHBondContact O-N 2.97Å; M135-G138 PolarHBondContact O-N 2.83Å; M135-H139 PolarHBondContact O-N 2.8Å; M135-L258 HydrophobicContact CG-CD2 3.77Å; M135-L258 HydrophobicContact SD-CD2 4.46Å; M135-T261 HydrophobicContact CE-CG2 3.61Å; M135-T261 HydrophobicContact CG-CG2 3.8Å; M135-T261 HydrophobicContact SD-CG2 3.9Å
136	S	92.9	Very high	88.3	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.1	-40.2	169.1	-56.3	0	0	0	0	111.9	F132 G133 G138 H139 V140 V262	F132-S136 VanDerWaalsContact O-CB 3.32Å; F132-S136 WeakPolarHBondContact O-CB 3.35Å; F132-S136 PolarHBondContact O-N 2.93Å; F132-S136 PolarHBondContact O-OG 3.04Å; G133-S136 PolarHBondContact O-N 3.34Å; S136-G138 VanDerWaalsContact C-N 3.27Å; S136-G138 PolarHBondContact O-N 3.22Å; S136-H139 WeakPolarHBondContact O-CB 3.45Å; S136-H139 PolarHBondContact O-N 2.91Å; S136-V140 VanDerWaalsContact O-CG2 3.26Å; S136-V140 WeakPolarHBondContact O-CG2 3.44Å; S136-V140 PolarHBondContact O-N 3.41Å; S136-V262 WeakPolarHBondContact OG-CA 3.15Å
137	I	93.6	Very high	88.2	Confident	40 Å²	40	38.7 Å²	38.7	21%	0.205	22%	0.223	C	C	.	.	H	α-helix	trans	-58.5	-40.8	170.6	-74.4	162.7	0	0	0	110.5	G133 L134 V140 A141 M165 V169	G133-I137 WeakPolarHBondContact O-CD1 3.41Å; G133-I137 VanDerWaalsContact O-CG1 3.31Å; G133-I137 WeakPolarHBondContact O-CG1 3.41Å; G133-I137 PolarHBondContact O-N 3.4Å; L134-I137 WeakPolarHBondContact O-CB 3.28Å; L134-I137 PolarHBondContact O-N 2.86Å; I137-V140 PolarHBondContact O-N 3.05Å; I137-A141 PolarHBondContact O-N 3.42Å; I137-A141 VanDerWaalsContact O-N 3.1Å; I137-M165 HydrophobicContact CB-SD 3.9Å; I137-M165 HydrophobicContact CG1-SD 3.98Å; I137-M165 HydrophobicContact CG2-CE 3.82Å; I137-M165 HydrophobicContact CG2-SD 3.66Å; I137-M165 VanDerWaalsContact O-CE 3.24Å; I137-M165 WeakPolarHBondContact O-CE 3.5Å; I137-M165 VanDerWaalsContact O-SD 3.4Å; I137-V169 HydrophobicContact CD1-CG2 3.53Å; I137-V169 HydrophobicContact CG1-CG2 4.41Å
138	G	90.9	Very high	88.3	Confident	29 Å²	29	35 Å²	35	30%	0.299	21%	0.208	S	C	.	.	H	α-helix	trans	-60.4	-47.3	171.7	0	0	0	0	0	113.8	L134 M135 S136 V140 A141 V142	L134-G138 PolarHBondContact O-N 2.88Å; M135-G138 PolarHBondContact O-N 2.83Å; S136-G138 VanDerWaalsContact C-N 3.27Å; S136-G138 PolarHBondContact O-N 3.22Å; G138-V140 VanDerWaalsContact C-N 3.35Å; G138-V140 PolarHBondContact O-N 3.08Å; G138-A141 PolarHBondContact O-N 2.88Å; G138-V142 WeakPolarHBondContact O-CG2 3.3Å; G138-V142 PolarHBondContact O-N 2.98Å; G138-V142 VanDerWaalsContact O-N 3.11Å
139	H	90.6	Very high	88.1	Confident	4 Å²	4	38.7 Å²	38.7	2%	0.019	22%	0.221	C	C	.	.	H	α-helix	trans	-55.3	-48	175.2	164	-98.6	0	0	0	112.1	M135 S136 A141 V142 K143 L258 L259 V262	M135-H139 PolarHBondContact O-N 2.8Å; S136-H139 WeakPolarHBondContact O-CB 3.45Å; S136-H139 PolarHBondContact O-N 2.91Å; H139-A141 VanDerWaalsContact C-N 3.33Å; H139-A141 PolarHBondContact O-N 3.23Å; H139-V142 PolarHBondContact O-N 3.43Å; H139-K143 VanDerWaalsContact O-CB 3.28Å; H139-K143 WeakPolarHBondContact O-CB 3.47Å; H139-K143 PolarHBondContact O-N 2.9Å; H139-L258 HydrophobicContact CB-CB 3.8Å; H139-L258 HydrophobicContact CB-CD1 4.37Å; H139-L259 VanDerWaalsContact NE2-CD1 3.33Å; H139-L259 WeakPolarHBondContact NE2-CD1 3.49Å; H139-V262 HydrophobicContact CB-CG2 3.9Å
140	V	91.2	Very high	87.4	Confident	1 Å²	1	44.3 Å²	44.3	1%	0.006	25%	0.25	C	S	.	.	H	α-helix	trans	-67.7	-35	-176.5	179.1	0	0	0	0	111.3	S136 I137 G138 C144 E164 M165 Y168	S136-V140 VanDerWaalsContact O-CG2 3.26Å; S136-V140 WeakPolarHBondContact O-CG2 3.44Å; S136-V140 PolarHBondContact O-N 3.41Å; I137-V140 PolarHBondContact O-N 3.05Å; G138-V140 VanDerWaalsContact C-N 3.35Å; G138-V140 PolarHBondContact O-N 3.08Å; V140-C144 VanDerWaalsContact O-CB 3.22Å; V140-C144 WeakPolarHBondContact O-CB 3.26Å; V140-C144 PolarHBondContact O-N 2.93Å; V140-E164 HydrophobicContact CB-CG 4.46Å; V140-E164 HydrophobicContact CG1-CB 4.17Å; V140-E164 HydrophobicContact CG1-CG 3.94Å; V140-E164 HydrophobicContact CG2-CG 3.61Å; V140-M165 HydrophobicContact CB-CG 4.31Å; V140-M165 HydrophobicContact CB-SD 3.89Å; V140-M165 HydrophobicContact CG1-CG 3.77Å; V140-M165 HydrophobicContact CG1-SD 4.03Å; V140-Y168 HydrophobicContact CG2-CD2 4.2Å; V140-Y168 HydrophobicContact CG2-CE2 3.84Å
141	A	90.6	Very high	86.6	Confident	46 Å²	46	45.1 Å²	45.1	38%	0.38	25%	0.251	S	S	.	.	H	α-helix	trans	-62.8	-48	172.7	0	0	0	0	0	112.2	I137 G138 H139 C144 V145 M165	I137-A141 PolarHBondContact O-N 3.42Å; I137-A141 VanDerWaalsContact O-N 3.1Å; G138-A141 PolarHBondContact O-N 2.88Å; H139-A141 VanDerWaalsContact C-N 3.33Å; H139-A141 PolarHBondContact O-N 3.23Å; A141-C144 PolarHBondContact O-N 3.46Å; A141-V145 PolarHBondContact O-N 2.59Å; A141-M165 HydrophobicContact CB-CE 3.85Å
142	V	88.3	Confident	85.7	Confident	28 Å²	28	47.9 Å²	47.9	17%	0.17	27%	0.269	C	S	.	.	H	α-helix	trans	-62.5	-48	177.7	173.2	0	0	0	0	110.9	G138 H139 C144 V145 E146 L251 I254 L258	G138-V142 WeakPolarHBondContact O-CG2 3.3Å; G138-V142 PolarHBondContact O-N 2.98Å; G138-V142 VanDerWaalsContact O-N 3.11Å; H139-V142 PolarHBondContact O-N 3.43Å; V142-C144 VanDerWaalsContact C-N 3.27Å; V142-C144 PolarHBondContact O-N 3.25Å; V142-V145 PolarHBondContact O-N 3.33Å; V142-E146 PolarHBondContact O-N 3.27Å; V142-L251 HydrophobicContact CG1-CD2 4.01Å; V142-I254 HydrophobicContact CG1-CB 4.3Å; V142-I254 HydrophobicContact CG1-CG2 4.07Å; V142-I254 HydrophobicContact CG2-CG2 3.95Å; V142-L258 HydrophobicContact CG2-CD1 4.41Å
143	K	84.8	Confident	85.3	Confident	55 Å²	55	49 Å²	49	24%	0.239	28%	0.28	C	S	.	.	H	α-helix	trans	-63.3	-30.5	179.1	-176.2	174.8	172.6	-177.2	0	113	H139 V145 E146 E147	H139-K143 VanDerWaalsContact O-CB 3.28Å; H139-K143 WeakPolarHBondContact O-CB 3.47Å; H139-K143 PolarHBondContact O-N 2.9Å; K143-V145 VanDerWaalsContact C-N 3.31Å; K143-E146 PolarHBondContact O-N 3.13Å; K143-E147 WeakPolarHBondContact CE-OE1 3.41Å; K143-E147 HydrophobicContact CG-CG 4.38Å; K143-E147 IonicContact NZ-OE1 3.25Å; K143-E147 WeakPolarHBondContact O-CB 3.41Å; K143-E147 WeakPolarHBondContact O-CG 3.49Å; K143-E147 PolarHBondContact O-N 2.93Å
144	C	87.1	Confident	84.7	Confident	20 Å²	20	51.4 Å²	51.4	14%	0.135	30%	0.295	C	S	.	.	H	α-helix	trans	-66.8	-32.3	173.6	-172.8	0	0	0	0	112.2	V140 A141 V142 A148 S161	V140-C144 VanDerWaalsContact O-CB 3.22Å; V140-C144 WeakPolarHBondContact O-CB 3.26Å; V140-C144 PolarHBondContact O-N 2.93Å; A141-C144 PolarHBondContact O-N 3.46Å; V142-C144 VanDerWaalsContact C-N 3.27Å; V142-C144 PolarHBondContact O-N 3.25Å; C144-A148 WeakPolarHBondContact O-CB 3.43Å; C144-A148 PolarHBondContact O-N 2.84Å; C144-S161 PolarHBondContact SG-OG 3.11Å
145	V	85.6	Confident	84.3	Confident	66 Å²	66	53.1 Å²	53.1	40%	0.4	30%	0.297	S	S	.	.	H	α-helix	trans	-75.9	-46.6	172.7	-176.6	0	0	0	0	110.5	A141 V142 K143 E147 A148 E149 L251	A141-V145 PolarHBondContact O-N 2.59Å; V142-V145 PolarHBondContact O-N 3.33Å; K143-V145 VanDerWaalsContact C-N 3.31Å; V145-E147 VanDerWaalsContact C-N 3.35Å; V145-E147 PolarHBondContact O-N 2.94Å; V145-A148 PolarHBondContact O-N 3.03Å; V145-A148 VanDerWaalsContact O-N 3.08Å; V145-E149 PolarHBondContact O-N 2.84Å; V145-L251 HydrophobicContact CB-CD1 4.44Å; V145-L251 HydrophobicContact CG1-CD1 3.76Å
146	E	81.3	Confident	84	Confident	20 Å²	20	54.5 Å²	54.5	9%	0.093	31%	0.306	C	S	.	.	H	α-helix	trans	-50.4	-49.4	175	-175.3	-172.8	175.5	0	0	112	V142 K143 I150 K215 V252 S255	V142-E146 PolarHBondContact O-N 3.27Å; K143-E146 PolarHBondContact O-N 3.13Å; E146-I150 WeakPolarHBondContact O-CD1 3.31Å; E146-K215 IonicContact OE1-NZ 2.65Å; E146-K215 PolarHBondContact OE1-NZ 2.9Å; E146-K215 IonicContact OE2-NZ 2.93Å; E146-V252 HydrophobicContact CG-CG2 4.03Å; E146-S255 WeakPolarHBondContact OE2-CB 3.28Å; E146-S255 PolarHBondContact OE2-OG 2.65Å
147	E	80.3	Confident	83.7	Confident	47 Å²	47	54.8 Å²	54.8	22%	0.22	31%	0.308	C	S	.	.	H	α-helix	trans	-76.7	-22.5	179.7	-68.5	-176.6	-164.1	0	0	113.4	K143 V145 I150 T151 L157 K160	K143-E147 WeakPolarHBondContact CE-OE1 3.41Å; K143-E147 HydrophobicContact CG-CG 4.38Å; K143-E147 IonicContact NZ-OE1 3.25Å; K143-E147 WeakPolarHBondContact O-CB 3.41Å; K143-E147 WeakPolarHBondContact O-CG 3.49Å; K143-E147 PolarHBondContact O-N 2.93Å; V145-E147 VanDerWaalsContact C-N 3.35Å; V145-E147 PolarHBondContact O-N 2.94Å; E147-I150 PolarHBondContact O-N 3.46Å; E147-T151 WeakPolarHBondContact O-CB 3.38Å; E147-T151 PolarHBondContact O-N 3.2Å; E147-T151 PolarHBondContact O-OG1 3.34Å; E147-L157 HydrophobicContact CB-CD1 3.75Å; E147-L157 HydrophobicContact CB-CD2 3.79Å; E147-L157 HydrophobicContact CB-CG 4.44Å; E147-L157 WeakPolarHBondContact OE2-CD1 3.28Å; E147-K160 IonicContact OE1-NZ 2.72Å; E147-K160 PolarHBondContact OE1-NZ 3.39Å; E147-K160 IonicContact OE2-NZ 3.45Å; E147-K160 PolarHBondContact OE2-NZ 2.92Å
148	A	83.1	Confident	83.5	Confident	31 Å²	31	58.7 Å²	58.7	26%	0.256	32%	0.321	S	S	.	.	H	α-helix	trans	-78.7	-28.6	-176	0	0	0	0	0	113.7	C144 V145 I150 L157	C144-A148 WeakPolarHBondContact O-CB 3.43Å; C144-A148 PolarHBondContact O-N 2.84Å; V145-A148 PolarHBondContact O-N 3.03Å; V145-A148 VanDerWaalsContact O-N 3.08Å; A148-I150 PolarHBondContact O-N 2.7Å; A148-L157 VanDerWaalsContact CA-CD2 3.47Å; A148-L157 HydrophobicContact CB-CD2 3.71Å
149	E	75.5	Confident	83.4	Confident	90 Å²	90	61.2 Å²	61.2	42%	0.421	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-13.2	172.2	-67.2	-173.7	-162.1	0	0	112.6	V145 H247	V145-E149 PolarHBondContact O-N 2.84Å; E149-H247 IonicContact OE1-ND1 2.73Å
150	I	73.2	Confident	83.3	Confident	119 Å²	119	62.3 Å²	62.3	61%	0.61	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	-20	-170.9	-55.9	174.3	0	0	0	112.8	E146 E147 A148	E146-I150 WeakPolarHBondContact O-CD1 3.31Å; E147-I150 PolarHBondContact O-N 3.46Å; A148-I150 PolarHBondContact O-N 2.7Å
151	T	74.5	Confident	83.4	Confident	53 Å²	53	62.7 Å²	62.7	33%	0.325	34%	0.335	S	S	.	.			trans	-120.9	110.9	-161.9	-51.6	0	0	0	0	114	E147 A153	E147-T151 WeakPolarHBondContact O-CB 3.38Å; E147-T151 PolarHBondContact O-N 3.2Å; E147-T151 PolarHBondContact O-OG1 3.34Å; T151-A153 HydrophobicContact CG2-CB 4.13Å; T151-A153 PolarHBondContact O-N 3.16Å; T151-A153 VanDerWaalsContact O-N 3.13Å
152	D	71.6	Confident	83.5	Confident	166 Å²	166	65.8 Å²	65.8	89%	0.888	34%	0.343	S	S	*	.	S	Bend	trans	-57	-29.6	176	-53	-59.3	0	0	0	113.8	V154	D152-V154 PolarHBondContact O-N 3.45Å
153	A	79.8	Confident	83.8	Confident	38 Å²	38	66.5 Å²	66.5	31%	0.314	35%	0.346	S	S	.	.			trans	-81.5	44.5	-176.1	0	0	0	0	0	113.5	T151 F155 N156 L157	T151-A153 HydrophobicContact CG2-CB 4.13Å; T151-A153 PolarHBondContact O-N 3.16Å; T151-A153 VanDerWaalsContact O-N 3.13Å; A153-F155 PolarHBondContact O-N 3.21Å; A153-N156 PolarHBondContact O-N 3.14Å; A153-L157 PolarHBondContact O-N 3.3Å
154	V	81.1	Confident	84.2	Confident	51 Å²	51	64.3 Å²	64.3	31%	0.309	34%	0.337	S	S	.	.	H	α-helix	trans	-53.6	-33.7	-166.6	-150.8	0	0	0	0	114.2	D152 N156 L157 Y158	D152-V154 PolarHBondContact O-N 3.45Å; V154-N156 PolarHBondContact O-N 3.42Å; V154-L157 WeakPolarHBondContact O-CB 3.36Å; V154-L157 PolarHBondContact O-N 3.42Å; V154-Y158 HydrophobicContact CB-CE2 4.37Å; V154-Y158 HydrophobicContact CG1-CD2 4.01Å; V154-Y158 HydrophobicContact CG1-CE1 4.26Å; V154-Y158 HydrophobicContact CG1-CE2 3.45Å; V154-Y158 VanDerWaalsContact CG1-CE2 3.45Å; V154-Y158 WeakPolarHBondContact O-CD2 3.22Å; V154-Y158 PolarHBondContact O-N 2.93Å
155	F	84	Confident	84.6	Confident	153 Å²	153	66 Å²	66	67%	0.671	34%	0.343	S	S	*	.	H	α-helix	trans	-61.1	-43.3	176.8	178.1	-95.8	0	0	0	113	A153 L157 Y158 L159	A153-F155 PolarHBondContact O-N 3.21Å; F155-L157 VanDerWaalsContact C-N 3.31Å; F155-L157 PolarHBondContact O-N 3.01Å; F155-Y158 PolarHBondContact O-N 3.05Å; F155-L159 HydrophobicContact CE1-CD2 4.45Å; F155-L159 WeakPolarHBondContact O-CB 3.23Å; F155-L159 PolarHBondContact O-N 2.9Å
156	N	83.8	Confident	85.1	Confident	87 Å²	87	64.4 Å²	64.4	47%	0.465	34%	0.337	S	S	.	.	H	α-helix	trans	-68.3	-35.5	179.6	-69.3	-19.4	0	0	0	111.1	A153 V154 K160	A153-N156 PolarHBondContact O-N 3.14Å; V154-N156 PolarHBondContact O-N 3.42Å; N156-K160 WeakPolarHBondContact O-CB 3.21Å; N156-K160 PolarHBondContact O-N 3.04Å
157	L	85.8	Confident	85.8	Confident	7 Å²	7	63.4 Å²	63.4	4%	0.037	33%	0.333	C	S	.	.	H	α-helix	trans	-62	-53.4	172.9	171.5	57.6	0	0	0	111.3	E147 A148 A153 V154 F155 L159 K160 S161	E147-L157 HydrophobicContact CB-CD1 3.75Å; E147-L157 HydrophobicContact CB-CD2 3.79Å; E147-L157 HydrophobicContact CB-CG 4.44Å; E147-L157 WeakPolarHBondContact OE2-CD1 3.28Å; A148-L157 VanDerWaalsContact CA-CD2 3.47Å; A148-L157 HydrophobicContact CB-CD2 3.71Å; A153-L157 PolarHBondContact O-N 3.3Å; V154-L157 WeakPolarHBondContact O-CB 3.36Å; V154-L157 PolarHBondContact O-N 3.42Å; F155-L157 VanDerWaalsContact C-N 3.31Å; F155-L157 PolarHBondContact O-N 3.01Å; L157-L159 VanDerWaalsContact C-N 3.3Å; L157-L159 PolarHBondContact O-N 3.41Å; L157-K160 WeakPolarHBondContact O-CB 3.2Å; L157-K160 PolarHBondContact O-N 3.38Å; L157-S161 PolarHBondContact O-N 3.23Å; L157-S161 PolarHBondContact O-OG 2.85Å
158	Y	89.8	Confident	86.6	Confident	121 Å²	121	61.2 Å²	61.2	48%	0.475	32%	0.322	S	S	.	.	H	α-helix	trans	-60.6	-39	178.1	-67.3	-37.5	0	0	0	112.2	V154 F155 S161 I162	V154-Y158 HydrophobicContact CB-CE2 4.37Å; V154-Y158 HydrophobicContact CG1-CD2 4.01Å; V154-Y158 HydrophobicContact CG1-CE1 4.26Å; V154-Y158 HydrophobicContact CG1-CE2 3.45Å; V154-Y158 VanDerWaalsContact CG1-CE2 3.45Å; V154-Y158 WeakPolarHBondContact O-CD2 3.22Å; V154-Y158 PolarHBondContact O-N 2.93Å; F155-Y158 PolarHBondContact O-N 3.05Å; Y158-S161 PolarHBondContact O-N 3.15Å; Y158-I162 WeakPolarHBondContact O-CB 3.5Å; Y158-I162 WeakPolarHBondContact O-CD1 3.23Å; Y158-I162 WeakPolarHBondContact O-CG1 3.38Å; Y158-I162 PolarHBondContact O-N 2.95Å
159	L	89.6	Confident	87.2	Confident	83 Å²	83	62.9 Å²	62.9	44%	0.435	33%	0.329	S	S	.	.	H	α-helix	trans	-62	-47.4	176.4	-172.7	68.3	0	0	0	112	F155 L157 I162 L163	F155-L159 HydrophobicContact CE1-CD2 4.45Å; F155-L159 WeakPolarHBondContact O-CB 3.23Å; F155-L159 PolarHBondContact O-N 2.9Å; L157-L159 VanDerWaalsContact C-N 3.3Å; L157-L159 PolarHBondContact O-N 3.41Å; L159-I162 PolarHBondContact O-N 3.4Å; L159-L163 HydrophobicContact CG-CD1 4.24Å; L159-L163 VanDerWaalsContact O-CG 3.31Å; L159-L163 WeakPolarHBondContact O-CG 3.3Å; L159-L163 PolarHBondContact O-N 3.48Å
160	K	89.1	Confident	88.2	Confident	26 Å²	26	61.1 Å²	61.1	11%	0.113	32%	0.322	C	S	.	.	H	α-helix	trans	-54.5	-54.4	172.8	163.1	-170.8	161.9	-167.8	0	110.9	P69 E147 N156 L157 I162 L163 E164	P69-K160 HydrophobicContact CB-CD 4.4Å; E147-K160 IonicContact OE1-NZ 2.72Å; E147-K160 PolarHBondContact OE1-NZ 3.39Å; E147-K160 IonicContact OE2-NZ 3.45Å; E147-K160 PolarHBondContact OE2-NZ 2.92Å; N156-K160 WeakPolarHBondContact O-CB 3.21Å; N156-K160 PolarHBondContact O-N 3.04Å; L157-K160 WeakPolarHBondContact O-CB 3.2Å; L157-K160 PolarHBondContact O-N 3.38Å; K160-I162 PolarHBondContact O-N 3.32Å; K160-L163 PolarHBondContact O-N 2.97Å; K160-E164 WeakPolarHBondContact O-CB 3.26Å; K160-E164 PolarHBondContact O-N 3.07Å
161	S	92.2	Very high	89.2	Confident	10 Å²	10	55.4 Å²	55.4	7%	0.07	29%	0.293	C	S	.	.	H	α-helix	trans	-64.6	-36.4	-177.3	-63	0	0	0	0	112.8	C144 L157 Y158 M165	C144-S161 PolarHBondContact SG-OG 3.11Å; L157-S161 PolarHBondContact O-N 3.23Å; L157-S161 PolarHBondContact O-OG 2.85Å; Y158-S161 PolarHBondContact O-N 3.15Å; S161-M165 VanDerWaalsContact O-CB 3.29Å; S161-M165 WeakPolarHBondContact O-CB 3.19Å; S161-M165 WeakPolarHBondContact O-CG 3.37Å; S161-M165 PolarHBondContact O-N 3.17Å
162	I	92.9	Very high	90.2	Very high	110 Å²	110	53.6 Å²	53.6	56%	0.564	28%	0.282	S	S	*	.	H	α-helix	trans	-66.3	-42.6	175.4	-71.7	164.9	0	0	0	111.2	Y158 L159 K160 A166	Y158-I162 WeakPolarHBondContact O-CB 3.5Å; Y158-I162 WeakPolarHBondContact O-CD1 3.23Å; Y158-I162 WeakPolarHBondContact O-CG1 3.38Å; Y158-I162 PolarHBondContact O-N 2.95Å; L159-I162 PolarHBondContact O-N 3.4Å; K160-I162 PolarHBondContact O-N 3.32Å; I162-A166 VanDerWaalsContact O-CB 3.23Å; I162-A166 WeakPolarHBondContact O-CB 3.37Å; I162-A166 PolarHBondContact O-N 2.97Å
163	L	93.7	Very high	91.2	Very high	44 Å²	44	50.8 Å²	50.8	23%	0.23	27%	0.266	C	S	.	.	H	α-helix	trans	-65.5	-42.7	176.5	-71.9	168.1	0	0	0	112	A77 L159 K160 A166 F167	A77-L163 HydrophobicContact CB-CD1 4.23Å; A77-L163 HydrophobicContact CB-CD2 4.22Å; L159-L163 HydrophobicContact CG-CD1 4.24Å; L159-L163 VanDerWaalsContact O-CG 3.31Å; L159-L163 WeakPolarHBondContact O-CG 3.3Å; L159-L163 PolarHBondContact O-N 3.48Å; K160-L163 PolarHBondContact O-N 2.97Å; L163-A166 PolarHBondContact O-N 2.77Å; L163-F167 WeakPolarHBondContact O-CB 3.5Å; L163-F167 PolarHBondContact O-N 3.16Å
164	E	94.9	Very high	91.8	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.037	25%	0.253	C	S	.	.	H	α-helix	trans	-63.7	-45.3	177	-178.5	164.4	-153.4	0	0	111.4	Y76 V140 K160 F167 Y168	Y76-E164 HydrophobicContact CD2-CB 3.77Å; Y76-E164 HydrophobicContact CD2-CG 4.17Å; Y76-E164 HydrophobicContact CE1-CG 4.13Å; Y76-E164 HydrophobicContact CE2-CB 3.61Å; Y76-E164 HydrophobicContact CE2-CG 3.5Å; Y76-E164 VanDerWaalsContact CE2-CG 3.5Å; Y76-E164 HydrophobicContact CG-CB 4.33Å; Y76-E164 VanDerWaalsContact CZ-CG 3.48Å; Y76-E164 PolarHBondContact OH-OE1 3.04Å; V140-E164 HydrophobicContact CB-CG 4.46Å; V140-E164 HydrophobicContact CG1-CB 4.17Å; V140-E164 HydrophobicContact CG1-CG 3.94Å; V140-E164 HydrophobicContact CG2-CG 3.61Å; K160-E164 WeakPolarHBondContact O-CB 3.26Å; K160-E164 PolarHBondContact O-N 3.07Å; E164-F167 PolarHBondContact O-N 3.09Å; E164-Y168 HydrophobicContact CG-CD2 4.24Å; E164-Y168 HydrophobicContact CG-CE2 3.59Å; E164-Y168 WeakPolarHBondContact O-CD2 3.18Å; E164-Y168 PolarHBondContact O-N 2.88Å
165	M	95	Very high	92.2	Very high	55 Å²	55	47 Å²	47	27%	0.271	24%	0.239	S	C	.	.	H	α-helix	trans	-60.1	-46.4	171.8	-73.8	-70.3	-130.9	0	0	112.6	I137 V140 A141 S161 F167 Y168 V169	I137-M165 HydrophobicContact CB-SD 3.9Å; I137-M165 HydrophobicContact CG1-SD 3.98Å; I137-M165 HydrophobicContact CG2-CE 3.82Å; I137-M165 HydrophobicContact CG2-SD 3.66Å; I137-M165 VanDerWaalsContact O-CE 3.24Å; I137-M165 WeakPolarHBondContact O-CE 3.5Å; I137-M165 VanDerWaalsContact O-SD 3.4Å; V140-M165 HydrophobicContact CB-CG 4.31Å; V140-M165 HydrophobicContact CB-SD 3.89Å; V140-M165 HydrophobicContact CG1-CG 3.77Å; V140-M165 HydrophobicContact CG1-SD 4.03Å; A141-M165 HydrophobicContact CB-CE 3.85Å; S161-M165 VanDerWaalsContact O-CB 3.29Å; S161-M165 WeakPolarHBondContact O-CB 3.19Å; S161-M165 WeakPolarHBondContact O-CG 3.37Å; S161-M165 PolarHBondContact O-N 3.17Å; M165-F167 VanDerWaalsContact C-N 3.3Å; M165-F167 PolarHBondContact O-N 3.46Å; M165-Y168 PolarHBondContact O-N 3.26Å; M165-V169 WeakPolarHBondContact O-CG2 3.31Å; M165-V169 PolarHBondContact O-N 2.8Å; M165-V169 VanDerWaalsContact O-N 3.08Å
166	A	95.8	Very high	92.4	Very high	33 Å²	33	42.3 Å²	42.3	27%	0.273	22%	0.22	S	C	.	.	H	α-helix	trans	-61.9	-38.9	179.6	0	0	0	0	0	111.6	I162 L163 V169 L170	I162-A166 VanDerWaalsContact O-CB 3.23Å; I162-A166 WeakPolarHBondContact O-CB 3.37Å; I162-A166 PolarHBondContact O-N 2.97Å; L163-A166 PolarHBondContact O-N 2.77Å; A166-V169 PolarHBondContact O-N 3.48Å; A166-L170 HydrophobicContact CB-CD1 4.47Å; A166-L170 VanDerWaalsContact O-CB 3.23Å; A166-L170 WeakPolarHBondContact O-CB 3.33Å; A166-L170 WeakPolarHBondContact O-CG 2.96Å; A166-L170 PolarHBondContact O-N 3.33Å
167	F	96.8	Very high	92.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.8	-52.5	174.7	169.1	-102.3	0	0	0	111.7	Y76 C79 C80 L163 E164 M165 V169 L170 Q171 T200 I204	Y76-F167 HydrophobicContact CD1-CB 3.72Å; Y76-F167 AromaticContact CD1-CD1 3.65Å; Y76-F167 HydrophobicContact CD1-CD1 3.65Å; Y76-F167 HydrophobicContact CD1-CD2 4.27Å; Y76-F167 HydrophobicContact CD1-CE1 4.31Å; Y76-F167 AromaticContact CD1-CG 3.61Å; Y76-F167 HydrophobicContact CD1-CG 3.61Å; Y76-F167 HydrophobicContact CE1-CB 4.39Å; Y76-F167 AromaticContact CE1-CD1 3.58Å; Y76-F167 HydrophobicContact CE1-CD1 3.58Å; Y76-F167 HydrophobicContact CE1-CE1 4.03Å; Y76-F167 HydrophobicContact CE1-CG 4.06Å; Y76-F167 HydrophobicContact CG-CB 4.46Å; C79-F167 HydrophobicContact CB-CD2 3.64Å; C79-F167 HydrophobicContact CB-CE2 3.73Å; C80-F167 PolarHBondContact SG-N 3.21Å; C80-F167 VanDerWaalsContact SG-N 3.39Å; L163-F167 WeakPolarHBondContact O-CB 3.5Å; L163-F167 PolarHBondContact O-N 3.16Å; E164-F167 PolarHBondContact O-N 3.09Å; M165-F167 VanDerWaalsContact C-N 3.3Å; M165-F167 PolarHBondContact O-N 3.46Å; F167-V169 VanDerWaalsContact C-N 3.33Å; F167-V169 PolarHBondContact O-N 3.45Å; F167-L170 PolarHBondContact O-N 3.5Å; F167-Q171 HydrophobicContact CE2-CB 4.48Å; F167-Q171 WeakPolarHBondContact O-CB 3.47Å; F167-Q171 PolarHBondContact O-N 3.14Å; F167-T200 HydrophobicContact CE2-CG2 4.21Å; F167-T200 HydrophobicContact CZ-CG2 4.24Å; F167-I204 HydrophobicContact CD1-CD1 4.4Å; F167-I204 HydrophobicContact CE1-CD1 3.65Å; F167-I204 HydrophobicContact CZ-CD1 3.89Å
168	Y	95.8	Very high	92.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-38.7	179.6	-68.1	-59.8	0	0	0	112.6	Y76 V140 E164 M165 T172 V262 Y265	Y76-Y168 PolarHBondContact OH-OH 3.46Å; V140-Y168 HydrophobicContact CG2-CD2 4.2Å; V140-Y168 HydrophobicContact CG2-CE2 3.84Å; E164-Y168 HydrophobicContact CG-CD2 4.24Å; E164-Y168 HydrophobicContact CG-CE2 3.59Å; E164-Y168 WeakPolarHBondContact O-CD2 3.18Å; E164-Y168 PolarHBondContact O-N 2.88Å; M165-Y168 PolarHBondContact O-N 3.26Å; Y168-T172 WeakPolarHBondContact O-CB 3.17Å; Y168-T172 PolarHBondContact O-N 3.17Å; Y168-T172 PolarHBondContact O-OG1 2.83Å; Y168-V262 HydrophobicContact CE1-CG1 4.13Å; Y168-V262 WeakPolarHBondContact OH-CG1 3.33Å; Y168-Y265 AromaticContact CD1-CD1 3.59Å; Y168-Y265 HydrophobicContact CD1-CD1 3.59Å; Y168-Y265 AromaticContact CD1-CE1 3.45Å; Y168-Y265 HydrophobicContact CD1-CE1 3.45Å; Y168-Y265 VanDerWaalsContact CD1-CE1 3.45Å; Y168-Y265 HydrophobicContact CD1-CG 4.33Å; Y168-Y265 AromaticContact CE1-CD1 3.57Å; Y168-Y265 HydrophobicContact CE1-CD1 3.57Å; Y168-Y265 AromaticContact CE1-CE1 3.78Å; Y168-Y265 HydrophobicContact CE1-CE1 3.78Å; Y168-Y265 HydrophobicContact CE1-CG 4.45Å
169	V	96	Very high	91.7	Very high	66 Å²	66	40.4 Å²	40.4	40%	0.4	21%	0.206	S	C	.	.	H	α-helix	trans	-67.4	-56.4	175.4	174.1	0	0	0	0	111.4	I137 M165 A166 F167 Q171 T172 L173	I137-V169 HydrophobicContact CD1-CG2 3.53Å; I137-V169 HydrophobicContact CG1-CG2 4.41Å; M165-V169 WeakPolarHBondContact O-CG2 3.31Å; M165-V169 PolarHBondContact O-N 2.8Å; M165-V169 VanDerWaalsContact O-N 3.08Å; A166-V169 PolarHBondContact O-N 3.48Å; F167-V169 VanDerWaalsContact C-N 3.33Å; F167-V169 PolarHBondContact O-N 3.45Å; V169-Q171 PolarHBondContact O-N 3.39Å; V169-T172 PolarHBondContact O-N 3.26Å; V169-L173 HydrophobicContact CG1-CD1 3.82Å; V169-L173 WeakPolarHBondContact O-CB 3.31Å; V169-L173 WeakPolarHBondContact O-CG 3.43Å; V169-L173 PolarHBondContact O-N 3.44Å
170	L	96.1	Very high	90.8	Very high	53 Å²	53	39.9 Å²	39.9	28%	0.277	20%	0.198	S	C	.	.	H	α-helix	trans	-63.9	-43.5	-173.4	-70.4	171	0	0	0	111.8	C80 L83 I84 A166 F167 L173 F174	C80-L170 HydrophobicContact CB-CD1 4.12Å; L83-L170 HydrophobicContact CB-CB 4.29Å; L83-L170 HydrophobicContact CD1-CB 3.89Å; I84-L170 HydrophobicContact CD1-CD1 4.16Å; I84-L170 HydrophobicContact CG1-CD1 4.12Å; A166-L170 HydrophobicContact CB-CD1 4.47Å; A166-L170 VanDerWaalsContact O-CB 3.23Å; A166-L170 WeakPolarHBondContact O-CB 3.33Å; A166-L170 WeakPolarHBondContact O-CG 2.96Å; A166-L170 PolarHBondContact O-N 3.33Å; F167-L170 PolarHBondContact O-N 3.5Å; L170-L173 PolarHBondContact O-N 3.26Å; L170-F174 WeakPolarHBondContact O-CB 3.32Å; L170-F174 PolarHBondContact O-N 3.04Å
171	Q	95.9	Very high	89.8	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67.2	-42.1	-179.9	-174.7	175.2	-103.1	0	0	111.6	L83 F167 V169 F174 I175 N201 Y265	L83-Q171 HydrophobicContact CD1-CB 3.92Å; F167-Q171 HydrophobicContact CE2-CB 4.48Å; F167-Q171 WeakPolarHBondContact O-CB 3.47Å; F167-Q171 PolarHBondContact O-N 3.14Å; V169-Q171 PolarHBondContact O-N 3.39Å; Q171-F174 PolarHBondContact O-N 2.92Å; Q171-I175 HydrophobicContact CG-CD1 3.77Å; Q171-I175 HydrophobicContact CG-CG1 4.33Å; Q171-I175 WeakPolarHBondContact O-CG1 3.32Å; Q171-I175 PolarHBondContact O-N 2.91Å; Q171-N201 PolarHBondContact NE2-ND2 3.4Å; Q171-N201 PolarHBondContact NE2-OD1 2.9Å; Q171-N201 PolarHBondContact OE1-ND2 2.97Å; Q171-Y265 VanDerWaalsContact NE2-CE1 3.28Å; Q171-Y265 PolarHBondContact NE2-OH 3.23Å
172	T	94.4	Very high	88.5	Confident	15 Å²	15	38.8 Å²	38.8	9%	0.092	19%	0.193	C	C	.	.	H	α-helix	trans	-62.6	-46.7	177.6	-57.7	0	0	0	0	111	L129 Y168 V169 L176 Y265	L129-T172 HydrophobicContact CD2-CG2 4.49Å; L129-T172 HydrophobicContact CG-CG2 4.37Å; Y168-T172 WeakPolarHBondContact O-CB 3.17Å; Y168-T172 PolarHBondContact O-N 3.17Å; Y168-T172 PolarHBondContact O-OG1 2.83Å; V169-T172 PolarHBondContact O-N 3.26Å; T172-L176 HydrophobicContact CG2-CD1 3.85Å; T172-L176 HydrophobicContact CG2-CG 4.43Å; T172-L176 WeakPolarHBondContact O-CB 3.37Å; T172-L176 WeakPolarHBondContact O-CG 3.3Å; T172-L176 PolarHBondContact O-N 3.36Å; T172-Y265 PolarHBondContact N-OH 3.27Å; T172-Y265 VanDerWaalsContact OG1-CE2 3.22Å; T172-Y265 WeakPolarHBondContact OG1-CE2 3.48Å; T172-Y265 PolarHBondContact OG1-OH 2.88Å
173	L	93.1	Very high	87.4	Confident	106 Å²	106	33.8 Å²	33.8	56%	0.555	17%	0.167	S	C	*	.	H	α-helix	trans	-61.9	-44.8	175.9	-69.8	174.2	0	0	0	111.8	V169 L170 L176 R177	V169-L173 HydrophobicContact CG1-CD1 3.82Å; V169-L173 WeakPolarHBondContact O-CB 3.31Å; V169-L173 WeakPolarHBondContact O-CG 3.43Å; V169-L173 PolarHBondContact O-N 3.44Å; L170-L173 PolarHBondContact O-N 3.26Å; L173-L176 PolarHBondContact O-N 3.05Å; L173-R177 WeakPolarHBondContact O-CB 3.49Å; L173-R177 PolarHBondContact O-N 3.24Å
174	F	92.3	Very high	85.9	Confident	10 Å²	10	33.9 Å²	33.9	4%	0.044	17%	0.168	C	C	.	.	H	α-helix	trans	-59	-52.8	178.3	178.2	-87.7	0	0	0	112	L83 M86 F90 L170 Q171 L176 R177 Y178 L194	L83-F174 HydrophobicContact CD2-CB 3.53Å; L83-F174 HydrophobicContact CD2-CD1 3.98Å; L83-F174 HydrophobicContact CD2-CD2 3.92Å; L83-F174 HydrophobicContact CD2-CG 3.53Å; M86-F174 HydrophobicContact CB-CE2 3.77Å; M86-F174 HydrophobicContact CB-CZ 4.38Å; M86-F174 HydrophobicContact CE-CZ 4.32Å; F90-F174 HydrophobicContact CD2-CE2 4.16Å; F90-F174 AromaticContact CE2-CE2 3.83Å; F90-F174 HydrophobicContact CE2-CE2 3.83Å; F90-F174 AromaticContact CE2-CZ 3.95Å; F90-F174 HydrophobicContact CE2-CZ 3.95Å; L170-F174 WeakPolarHBondContact O-CB 3.32Å; L170-F174 PolarHBondContact O-N 3.04Å; Q171-F174 PolarHBondContact O-N 2.92Å; F174-L176 PolarHBondContact O-N 3.49Å; F174-R177 PolarHBondContact O-N 3.13Å; F174-Y178 HydrophobicContact CB-CD2 4.41Å; F174-Y178 HydrophobicContact CD1-CD2 4.49Å; F174-Y178 AromaticContact CD2-CD2 3.41Å; F174-Y178 HydrophobicContact CD2-CD2 3.41Å; F174-Y178 VanDerWaalsContact CD2-CD2 3.41Å; F174-Y178 AromaticContact CD2-CE2 3.7Å; F174-Y178 HydrophobicContact CD2-CE2 3.7Å; F174-Y178 AromaticContact CE2-CD2 3.62Å; F174-Y178 HydrophobicContact CE2-CD2 3.62Å; F174-Y178 HydrophobicContact CE2-CE2 4.07Å; F174-Y178 AromaticContact CG-CD2 3.87Å; F174-Y178 HydrophobicContact CG-CD2 3.87Å; F174-Y178 HydrophobicContact CG-CE2 4.43Å; F174-Y178 HydrophobicContact CZ-CD2 4.27Å; F174-Y178 WeakPolarHBondContact O-CB 3.48Å; F174-Y178 VanDerWaalsContact O-CD2 3.23Å; F174-Y178 WeakPolarHBondContact O-CD2 3.08Å; F174-Y178 PolarHBondContact O-N 3.39Å; F174-L194 HydrophobicContact CE1-CD2 3.81Å; F174-L194 HydrophobicContact CZ-CD2 4.09Å
175	I	90.2	Very high	84.4	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-63.2	-46.6	-179.2	-64.9	171.6	0	0	0	110.1	L129 Q171 R177 Y178 H179 A269 L272 L273	L129-I175 HydrophobicContact CD2-CB 3.76Å; L129-I175 HydrophobicContact CD2-CD1 4.15Å; L129-I175 HydrophobicContact CD2-CG2 3.61Å; Q171-I175 HydrophobicContact CG-CD1 3.77Å; Q171-I175 HydrophobicContact CG-CG1 4.33Å; Q171-I175 WeakPolarHBondContact O-CG1 3.32Å; Q171-I175 PolarHBondContact O-N 2.91Å; I175-R177 PolarHBondContact O-N 2.88Å; I175-Y178 PolarHBondContact O-N 3.42Å; I175-H179 VanDerWaalsContact O-CB 3.32Å; I175-H179 WeakPolarHBondContact O-CB 3.3Å; I175-H179 PolarHBondContact O-N 3.4Å; I175-A269 HydrophobicContact CD1-CB 4.12Å; I175-L272 HydrophobicContact CG2-CB 3.94Å; I175-L272 HydrophobicContact CG2-CD1 3.9Å; I175-L272 HydrophobicContact CG2-CG 4.44Å; I175-L273 HydrophobicContact CD1-CD1 4.42Å; I175-L273 HydrophobicContact CD1-CD2 4.28Å; I175-L273 HydrophobicContact CD1-CG 4.01Å; I175-L273 HydrophobicContact CG1-CD2 4.3Å
176	L	88.1	Confident	83.5	Confident	53 Å²	53	40.9 Å²	40.9	28%	0.277	20%	0.195	S	C	.	.	H	α-helix	trans	-59.8	-43.7	178.7	-70.8	174.8	0	0	0	112.5	R126 A130 T172 L173 F174 H179	R126-L176 HydrophobicContact CB-CD2 3.64Å; R126-L176 HydrophobicContact CG-CD2 3.92Å; A130-L176 HydrophobicContact CB-CD1 4.34Å; T172-L176 HydrophobicContact CG2-CD1 3.85Å; T172-L176 HydrophobicContact CG2-CG 4.43Å; T172-L176 WeakPolarHBondContact O-CB 3.37Å; T172-L176 WeakPolarHBondContact O-CG 3.3Å; T172-L176 PolarHBondContact O-N 3.36Å; L173-L176 PolarHBondContact O-N 3.05Å; F174-L176 PolarHBondContact O-N 3.49Å; L176-H179 PolarHBondContact O-ND1 2.91Å
177	R	85.8	Confident	82.5	Confident	138 Å²	138	41 Å²	41	52%	0.521	19%	0.191	S	C	.	.	H	α-helix	trans	-69.8	-43	-179.4	-178.9	66.9	171.3	163.7	-0.3	112.6	E91 L173 F174 I175	E91-R177 IonicContact OE1-CZ 3.92Å; E91-R177 IonicContact OE1-NE 3.72Å; E91-R177 PolarHBondContact OE1-NE 3.42Å; E91-R177 IonicContact OE1-NH2 3.49Å; E91-R177 PolarHBondContact OE1-NH2 3.38Å; E91-R177 IonicContact OE2-NH2 2.59Å; L173-R177 WeakPolarHBondContact O-CB 3.49Å; L173-R177 PolarHBondContact O-N 3.24Å; F174-R177 PolarHBondContact O-N 3.13Å; I175-R177 PolarHBondContact O-N 2.88Å
178	Y	81.4	Confident	81.7	Confident	18 Å²	18	45.7 Å²	45.7	7%	0.071	21%	0.213	C	C	.	.	H	α-helix	trans	-110.2	8.7	-166.2	-55	-60.1	0	0	0	115.2	A87 F90 E91 F174 I175 R180 L181	A87-Y178 HydrophobicContact CB-CE2 4.33Å; F90-Y178 HydrophobicContact CB-CE1 4.06Å; F90-Y178 HydrophobicContact CD2-CD1 4.25Å; F90-Y178 HydrophobicContact CD2-CD2 4.25Å; F90-Y178 HydrophobicContact CD2-CE1 4.26Å; F90-Y178 HydrophobicContact CD2-CE2 4.28Å; F90-Y178 HydrophobicContact CD2-CG 4.24Å; E91-Y178 WeakPolarHBondContact CG-OH 3.15Å; E91-Y178 PolarHBondContact OE1-OH 3.31Å; F174-Y178 HydrophobicContact CB-CD2 4.41Å; F174-Y178 HydrophobicContact CD1-CD2 4.49Å; F174-Y178 AromaticContact CD2-CD2 3.41Å; F174-Y178 HydrophobicContact CD2-CD2 3.41Å; F174-Y178 VanDerWaalsContact CD2-CD2 3.41Å; F174-Y178 AromaticContact CD2-CE2 3.7Å; F174-Y178 HydrophobicContact CD2-CE2 3.7Å; F174-Y178 AromaticContact CE2-CD2 3.62Å; F174-Y178 HydrophobicContact CE2-CD2 3.62Å; F174-Y178 HydrophobicContact CE2-CE2 4.07Å; F174-Y178 AromaticContact CG-CD2 3.87Å; F174-Y178 HydrophobicContact CG-CD2 3.87Å; F174-Y178 HydrophobicContact CG-CE2 4.43Å; F174-Y178 HydrophobicContact CZ-CD2 4.27Å; F174-Y178 WeakPolarHBondContact O-CB 3.48Å; F174-Y178 VanDerWaalsContact O-CD2 3.23Å; F174-Y178 WeakPolarHBondContact O-CD2 3.08Å; F174-Y178 PolarHBondContact O-N 3.39Å; I175-Y178 PolarHBondContact O-N 3.42Å; Y178-R180 PolarHBondContact O-N 2.84Å; Y178-L181 HydrophobicContact CD1-CD1 3.49Å; Y178-L181 VanDerWaalsContact CD1-CD1 3.49Å; Y178-L181 HydrophobicContact CE1-CD1 4.24Å; Y178-L181 HydrophobicContact CG-CD1 4Å; Y178-L181 WeakPolarHBondContact O-CB 3.41Å; Y178-L181 PolarHBondContact O-N 3.38Å
179	H	77.2	Confident	81.2	Confident	19 Å²	19	48.9 Å²	48.9	9%	0.088	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-6.4	178.5	72.3	-81.2	0	0	0	117.7	V121 I175 L176	V121-H179 HydrophobicContact CB-CB 4.45Å; V121-H179 HydrophobicContact CG2-CB 4.17Å; I175-H179 VanDerWaalsContact O-CB 3.32Å; I175-H179 WeakPolarHBondContact O-CB 3.3Å; I175-H179 PolarHBondContact O-N 3.4Å; L176-H179 PolarHBondContact O-ND1 2.91Å
180	R	69.7	Low	80.7	Confident	73 Å²	73	46.2 Å²	46.2	28%	0.275	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120	9.6	175.7	-50.1	-163.6	-170.2	-173.9	6.7	114.2	S115 V116 Y178 V182	S115-R180 PolarHBondContact N-O 3.47Å; S115-R180 WeakPolarHBondContact O-CD 3.46Å; V116-R180 PolarHBondContact O-NH1 3.5Å; Y178-R180 PolarHBondContact O-N 2.84Å; R180-V182 PolarHBondContact O-N 2.88Å
181	L	69.6	Low	80.1	Confident	10 Å²	10	44.1 Å²	44.1	5%	0.052	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-80.6	114	-172.5	-162.6	154.7	0	0	0	109.2	F90 V112 Y178 I183	F90-L181 HydrophobicContact CB-CD1 4.3Å; F90-L181 HydrophobicContact CD1-CD1 3.95Å; F90-L181 HydrophobicContact CD1-CD2 4.29Å; F90-L181 HydrophobicContact CD2-CD1 3.65Å; F90-L181 HydrophobicContact CE1-CD1 4.15Å; F90-L181 HydrophobicContact CE1-CD2 3.78Å; F90-L181 HydrophobicContact CE2-CD1 3.86Å; F90-L181 HydrophobicContact CE2-CD2 4.3Å; F90-L181 HydrophobicContact CG-CD1 3.71Å; F90-L181 HydrophobicContact CZ-CD1 4.12Å; F90-L181 HydrophobicContact CZ-CD2 3.79Å; V112-L181 HydrophobicContact CB-CD2 4.5Å; V112-L181 HydrophobicContact CG1-CD1 3.89Å; V112-L181 HydrophobicContact CG1-CD2 3.57Å; V112-L181 HydrophobicContact CG1-CG 3.4Å; V112-L181 VanDerWaalsContact CG1-CG 3.4Å; V112-L181 HydrophobicContact CG2-CD2 4.05Å; Y178-L181 HydrophobicContact CD1-CD1 3.49Å; Y178-L181 VanDerWaalsContact CD1-CD1 3.49Å; Y178-L181 HydrophobicContact CE1-CD1 4.24Å; Y178-L181 HydrophobicContact CG-CD1 4Å; Y178-L181 WeakPolarHBondContact O-CB 3.41Å; Y178-L181 PolarHBondContact O-N 3.38Å; L181-I183 HydrophobicContact CD2-CD1 4.38Å; L181-I183 HydrophobicContact CD2-CG1 3.43Å; L181-I183 VanDerWaalsContact CD2-CG1 3.43Å
182	V	64.4	Low	79.8	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.018	23%	0.225	C	C	.	.			trans	-92.6	109.4	173.2	-177.5	0	0	0	0	107.9	R180 L184 F285 I286	R180-V182 PolarHBondContact O-N 2.88Å; V182-L184 HydrophobicContact CG1-CG 4.4Å; V182-F285 HydrophobicContact CG2-CB 4.22Å; V182-I286 HydrophobicContact CG1-CD1 4.34Å; V182-I286 HydrophobicContact CG1-CG1 4.47Å
183	I	68.4	Low	79.7	Confident	5 Å²	5	48 Å²	48	3%	0.026	23%	0.231	C	C	.	.			trans	-80.6	121.3	175.7	-53.8	175.6	0	0	0	107.7	M86 F90 L181 Q185 N187 M190 L194 I280 G281	M86-I183 HydrophobicContact CE-CD1 4.18Å; F90-I183 HydrophobicContact CE1-CD1 4.37Å; F90-I183 HydrophobicContact CE1-CG1 4.29Å; F90-I183 HydrophobicContact CZ-CD1 3.77Å; F90-I183 HydrophobicContact CZ-CG1 4.06Å; L181-I183 HydrophobicContact CD2-CD1 4.38Å; L181-I183 HydrophobicContact CD2-CG1 3.43Å; L181-I183 VanDerWaalsContact CD2-CG1 3.43Å; I183-Q185 VanDerWaalsContact CG2-O 3.25Å; I183-Q185 WeakPolarHBondContact CG2-O 3.4Å; I183-N187 PolarHBondContact O-OD1 2.87Å; I183-M190 HydrophobicContact CD1-CB 3.85Å; I183-M190 HydrophobicContact CD1-CG 4.45Å; I183-M190 HydrophobicContact CG2-CB 4.14Å; I183-M190 HydrophobicContact CG2-CG 4.09Å; I183-L194 HydrophobicContact CD1-CD1 3.98Å; I183-I280 HydrophobicContact CB-CG1 4.37Å; I183-I280 HydrophobicContact CB-CG2 4.25Å; I183-I280 HydrophobicContact CD1-CD1 4.26Å; I183-I280 HydrophobicContact CD1-CG1 4.25Å; I183-G281 PolarHBondContact O-N 2.95Å
184	L	63	Low	79.6	Confident	46 Å²	46	43.1 Å²	43.1	24%	0.241	21%	0.205	C	C	.	.			trans	-110.3	-6.3	176.9	-79.5	177.7	0	0	0	113.7	V182 P283 I286	V182-L184 HydrophobicContact CG1-CG 4.4Å; L184-P283 HydrophobicContact CD2-CB 4.21Å; L184-I286 HydrophobicContact CD1-CD1 3.6Å; L184-I286 HydrophobicContact CG-CD1 4.36Å
185	Q	64.3	Low	79.6	Confident	67 Å²	67	43.4 Å²	43.4	31%	0.313	21%	0.208	S	C	.	.	S	Bend	trans	-139.7	144.7	-170.7	-161.7	160.4	-33.1	0	0	111	P109 I183 N187	P109-Q185 PolarHBondContact O-NE2 3.37Å; P109-Q185 PolarHBondContact O-OE1 3.49Å; I183-Q185 VanDerWaalsContact CG2-O 3.25Å; I183-Q185 WeakPolarHBondContact CG2-O 3.4Å; Q185-N187 PolarHBondContact N-OD1 3.43Å; Q185-N187 PolarHBondContact O-N 2.92Å
186	Y	75	Confident	79.9	Confident	142 Å²	142	44.3 Å²	44.3	56%	0.557	21%	0.212	S	C	*	.	S	Bend	trans	53.4	31.4	-168.2	-54.6	-69.1	0	0	0	114	Y89 E188 V189 M190	Y89-Y186 HydrophobicContact CE2-CD2 4.44Å; Y89-Y186 HydrophobicContact CE2-CE2 4.47Å; Y89-Y186 WeakPolarHBondContact OH-CD2 2.99Å; Y186-E188 PolarHBondContact O-N 3.34Å; Y186-V189 PolarHBondContact O-N 3.44Å; Y186-M190 WeakPolarHBondContact O-CG 3.5Å; Y186-M190 PolarHBondContact O-N 3.03Å
187	N	75.6	Confident	80.2	Confident	37 Å²	37	42 Å²	42	20%	0.198	20%	0.2	C	C	.	.	H	α-helix	trans	-50	-32.4	-176.9	-60.6	-14.9	0	0	0	113.9	I183 Q185 G191 I280	I183-N187 PolarHBondContact O-OD1 2.87Å; Q185-N187 PolarHBondContact N-OD1 3.43Å; Q185-N187 PolarHBondContact O-N 2.92Å; N187-G191 WeakPolarHBondContact O-CA 3.3Å; N187-G191 PolarHBondContact O-N 3.45Å; N187-I280 HydrophobicContact CB-CG2 3.75Å
188	E	79.3	Confident	80.6	Confident	97 Å²	97	36.6 Å²	36.6	45%	0.453	18%	0.182	S	C	.	.	H	α-helix	trans	-62.5	-57.4	174.4	-54.9	-59.2	118.7	0	0	111.9	R28 Y186 A192	R28-E188 WeakPolarHBondContact CD-OE1 3.31Å; R28-E188 WeakPolarHBondContact CD-OE2 3.38Å; R28-E188 IonicContact CZ-OE1 2.7Å; R28-E188 IonicContact NE-OE1 3.36Å; R28-E188 IonicContact NH1-OE1 3.3Å; R28-E188 PolarHBondContact NH1-OE1 3.38Å; Y186-E188 PolarHBondContact O-N 3.34Å; E188-A192 WeakPolarHBondContact O-CB 3.16Å; E188-A192 PolarHBondContact O-N 3.43Å
189	V	85.1	Confident	81.3	Confident	67 Å²	67	35.8 Å²	35.8	41%	0.406	18%	0.178	S	C	.	.	H	α-helix	trans	-68.8	-47.4	-176.5	-179.3	0	0	0	0	110.5	Y186 G191 A192 F193	Y186-V189 PolarHBondContact O-N 3.44Å; V189-G191 VanDerWaalsContact C-N 3.3Å; V189-G191 PolarHBondContact O-N 3.33Å; V189-A192 PolarHBondContact O-N 3.41Å; V189-F193 HydrophobicContact CG1-CD1 4.33Å; V189-F193 HydrophobicContact CG1-CD2 4.3Å; V189-F193 HydrophobicContact CG1-CE1 3.75Å; V189-F193 HydrophobicContact CG1-CE2 3.73Å; V189-F193 HydrophobicContact CG1-CZ 3.42Å; V189-F193 VanDerWaalsContact CG1-CZ 3.42Å; V189-F193 WeakPolarHBondContact O-CD1 3.41Å; V189-F193 WeakPolarHBondContact O-CG 3.46Å; V189-F193 PolarHBondContact O-N 3.02Å
190	M	84.9	Confident	82.2	Confident	10 Å²	10	34.9 Å²	34.9	5%	0.049	17%	0.174	C	C	.	.	H	α-helix	trans	-67.6	-33.7	-179.6	-54.8	-32.4	-153.5	0	0	111.8	M86 Y89 I183 Y186 F193 L194	M86-M190 HydrophobicContact CE-CB 4.02Å; M86-M190 HydrophobicContact CE-CG 4.39Å; M86-M190 HydrophobicContact CE-SD 4.37Å; M86-M190 HydrophobicContact SD-CB 4.29Å; M86-M190 HydrophobicContact SD-CE 3.94Å; M86-M190 HydrophobicContact SD-CG 4.17Å; M86-M190 HydrophobicContact SD-SD 3.42Å; Y89-M190 HydrophobicContact CD1-CE 3.38Å; Y89-M190 HydrophobicContact CD2-CE 4.18Å; Y89-M190 HydrophobicContact CE1-CE 3.49Å; Y89-M190 VanDerWaalsContact CE1-CE 3.49Å; Y89-M190 HydrophobicContact CE2-CE 4.27Å; Y89-M190 HydrophobicContact CG-CE 3.77Å; I183-M190 HydrophobicContact CD1-CB 3.85Å; I183-M190 HydrophobicContact CD1-CG 4.45Å; I183-M190 HydrophobicContact CG2-CB 4.14Å; I183-M190 HydrophobicContact CG2-CG 4.09Å; Y186-M190 WeakPolarHBondContact O-CG 3.5Å; Y186-M190 PolarHBondContact O-N 3.03Å; M190-F193 HydrophobicContact SD-CD2 4.33Å; M190-F193 HydrophobicContact SD-CE2 4.5Å; M190-L194 WeakPolarHBondContact O-CD1 3.29Å; M190-L194 WeakPolarHBondContact O-CG 3.23Å; M190-L194 PolarHBondContact O-N 3.02Å; M190-L194 VanDerWaalsContact O-N 3.09Å
191	G	85.4	Confident	83.4	Confident	10 Å²	10	31.4 Å²	31.4	10%	0.103	16%	0.161	C	C	.	.	H	α-helix	trans	-64.8	-46.9	171.4	0	0	0	0	0	112	N187 V189 F193 L194 V195	N187-G191 WeakPolarHBondContact O-CA 3.3Å; N187-G191 PolarHBondContact O-N 3.45Å; V189-G191 VanDerWaalsContact C-N 3.3Å; V189-G191 PolarHBondContact O-N 3.33Å; G191-F193 PolarHBondContact O-N 3.02Å; G191-L194 PolarHBondContact O-N 2.89Å; G191-V195 WeakPolarHBondContact O-CB 3.37Å; G191-V195 VanDerWaalsContact O-CG2 3.28Å; G191-V195 WeakPolarHBondContact O-CG2 3.3Å; G191-V195 PolarHBondContact O-N 2.92Å
192	A	88.7	Confident	84.5	Confident	46 Å²	46	33.5 Å²	33.5	38%	0.38	17%	0.172	S	C	.	.	H	α-helix	trans	-60.5	-41.9	176.2	0	0	0	0	0	112.4	E188 V189 V195 H196	E188-A192 WeakPolarHBondContact O-CB 3.16Å; E188-A192 PolarHBondContact O-N 3.43Å; V189-A192 PolarHBondContact O-N 3.41Å; A192-V195 PolarHBondContact O-N 2.93Å; A192-H196 PolarHBondContact O-N 3.3Å
193	F	92.8	Very high	85.9	Confident	50 Å²	50	33.5 Å²	33.5	22%	0.219	17%	0.172	C	C	.	.	H	α-helix	trans	-62.5	-46.9	176.2	-67.2	-5.3	0	0	0	111.8	L82 I85 M86 V189 M190 G191 V195 H196 L197	L82-F193 HydrophobicContact CD1-CB 4.16Å; L82-F193 HydrophobicContact CD1-CD1 3.89Å; L82-F193 HydrophobicContact CD1-CG 4.08Å; L82-F193 HydrophobicContact CD2-CD1 3.62Å; L82-F193 HydrophobicContact CD2-CD2 3.94Å; L82-F193 HydrophobicContact CD2-CE1 3.55Å; L82-F193 HydrophobicContact CD2-CE2 3.87Å; L82-F193 HydrophobicContact CD2-CG 3.82Å; L82-F193 HydrophobicContact CD2-CZ 3.67Å; L82-F193 HydrophobicContact CG-CD1 4.34Å; L82-F193 HydrophobicContact CG-CG 4.37Å; I85-F193 HydrophobicContact CG2-CE2 4.23Å; M86-F193 HydrophobicContact CG-CD2 3.95Å; M86-F193 HydrophobicContact SD-CD2 3.85Å; V189-F193 HydrophobicContact CG1-CD1 4.33Å; V189-F193 HydrophobicContact CG1-CD2 4.3Å; V189-F193 HydrophobicContact CG1-CE1 3.75Å; V189-F193 HydrophobicContact CG1-CE2 3.73Å; V189-F193 HydrophobicContact CG1-CZ 3.42Å; V189-F193 VanDerWaalsContact CG1-CZ 3.42Å; V189-F193 WeakPolarHBondContact O-CD1 3.41Å; V189-F193 WeakPolarHBondContact O-CG 3.46Å; V189-F193 PolarHBondContact O-N 3.02Å; M190-F193 HydrophobicContact SD-CD2 4.33Å; M190-F193 HydrophobicContact SD-CE2 4.5Å; G191-F193 PolarHBondContact O-N 3.02Å; F193-V195 VanDerWaalsContact C-N 3.34Å; F193-V195 PolarHBondContact O-N 2.91Å; F193-H196 WeakPolarHBondContact O-CB 3.28Å; F193-H196 PolarHBondContact O-N 3.39Å; F193-L197 VanDerWaalsContact O-CD1 3.26Å; F193-L197 WeakPolarHBondContact O-CD1 3.37Å; F193-L197 PolarHBondContact O-N 3.5Å
194	L	91.4	Very high	87.1	Confident	3 Å²	3	33.6 Å²	33.6	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-68.2	-33.2	178.5	-72.3	163.3	0	0	0	112.6	M86 F174 I183 M190 G191 L197 L198 L273 I276 I277 I280	M86-L194 HydrophobicContact CE-CD1 4.09Å; M86-L194 HydrophobicContact CE-CG 4.14Å; F174-L194 HydrophobicContact CE1-CD2 3.81Å; F174-L194 HydrophobicContact CZ-CD2 4.09Å; I183-L194 HydrophobicContact CD1-CD1 3.98Å; M190-L194 WeakPolarHBondContact O-CD1 3.29Å; M190-L194 WeakPolarHBondContact O-CG 3.23Å; M190-L194 PolarHBondContact O-N 3.02Å; M190-L194 VanDerWaalsContact O-N 3.09Å; G191-L194 PolarHBondContact O-N 2.89Å; L194-L197 HydrophobicContact CD2-CD2 4.48Å; L194-L197 PolarHBondContact O-N 3.04Å; L194-L198 WeakPolarHBondContact O-CB 3.45Å; L194-L198 PolarHBondContact O-N 3.39Å; L194-L273 HydrophobicContact CD2-CD2 3.76Å; L194-I276 HydrophobicContact CD1-CG2 4.01Å; L194-I277 HydrophobicContact CB-CD1 4.05Å; L194-I277 HydrophobicContact CB-CG1 3.58Å; L194-I280 HydrophobicContact CD1-CD1 3.72Å
195	V	92.1	Very high	88.4	Confident	17 Å²	17	34.3 Å²	34.3	10%	0.103	17%	0.172	C	C	.	.	H	α-helix	trans	-63.6	-40	170	166.1	0	0	0	0	111.2	C32 Y35 G191 A192 F193 L198 T199 I277	C32-V195 HydrophobicContact CB-CG1 4.03Å; C32-V195 HydrophobicContact CB-CG2 4.05Å; Y35-V195 HydrophobicContact CD1-CG1 4.28Å; G191-V195 WeakPolarHBondContact O-CB 3.37Å; G191-V195 VanDerWaalsContact O-CG2 3.28Å; G191-V195 WeakPolarHBondContact O-CG2 3.3Å; G191-V195 PolarHBondContact O-N 2.92Å; A192-V195 PolarHBondContact O-N 2.93Å; F193-V195 VanDerWaalsContact C-N 3.34Å; F193-V195 PolarHBondContact O-N 2.91Å; V195-L198 PolarHBondContact O-N 3.05Å; V195-T199 VanDerWaalsContact O-CB 3.28Å; V195-T199 WeakPolarHBondContact O-CB 3.43Å; V195-T199 PolarHBondContact O-N 3.02Å; V195-T199 PolarHBondContact O-OG1 3.4Å; V195-I277 HydrophobicContact CG2-CD1 4.12Å; V195-I277 HydrophobicContact CG2-CG2 4.44Å
196	H	95.1	Very high	89.6	Confident	19 Å²	19	31.4 Å²	31.4	9%	0.088	16%	0.16	C	C	.	.	H	α-helix	trans	-64.4	-40.9	174.9	176.9	76.8	0	0	0	112.5	Y35 T78 C79 L82 A192 F193 T199 T200	Y35-H196 HydrophobicContact CE1-CB 4.39Å; Y35-H196 AromaticContact CZ-ND1 3.87Å; Y35-H196 PolarHBondContact OH-ND1 3.25Å; T78-H196 WeakPolarHBondContact CB-NE2 3.42Å; T78-H196 PolarHBondContact OG1-CE1 2.91Å; T78-H196 VanDerWaalsContact OG1-CE1 3.3Å; T78-H196 PolarHBondContact OG1-NE2 3.31Å; C79-H196 PolarHBondContact SG-CD2 2.69Å; L82-H196 HydrophobicContact CD1-CB 4.31Å; A192-H196 PolarHBondContact O-N 3.3Å; F193-H196 WeakPolarHBondContact O-CB 3.28Å; F193-H196 PolarHBondContact O-N 3.39Å; H196-T199 PolarHBondContact O-N 3.34Å; H196-T200 WeakPolarHBondContact O-CB 3.17Å; H196-T200 PolarHBondContact O-N 3.17Å; H196-T200 PolarHBondContact O-OG1 2.91Å
197	L	95.3	Very high	90.2	Very high	5 Å²	5	26 Å²	26	3%	0.026	14%	0.141	C	C	.	.	H	α-helix	trans	-60.3	-49.8	171.7	-89.5	64.6	0	0	0	111.2	C79 L82 L83 F193 L194 T199 T200 N201 L273	C79-L197 HydrophobicContact CB-CD1 4.37Å; L82-L197 HydrophobicContact CB-CD1 4.2Å; L83-L197 HydrophobicContact CD1-CD2 4.49Å; L83-L197 HydrophobicContact CD2-CD2 3.64Å; L83-L197 HydrophobicContact CG-CD2 3.92Å; F193-L197 VanDerWaalsContact O-CD1 3.26Å; F193-L197 WeakPolarHBondContact O-CD1 3.37Å; F193-L197 PolarHBondContact O-N 3.5Å; L194-L197 HydrophobicContact CD2-CD2 4.48Å; L194-L197 PolarHBondContact O-N 3.04Å; L197-T199 VanDerWaalsContact C-N 3.33Å; L197-T199 PolarHBondContact O-N 2.97Å; L197-T200 PolarHBondContact O-N 3.17Å; L197-N201 PolarHBondContact O-N 2.95Å; L197-N201 PolarHBondContact O-ND2 3.42Å; L197-L273 HydrophobicContact CB-CD1 3.87Å; L197-L273 HydrophobicContact CB-CD2 4.29Å; L197-L273 HydrophobicContact CD2-CD2 4.15Å
198	L	94.2	Very high	90.7	Very high	25 Å²	25	25 Å²	25	13%	0.131	14%	0.135	C	C	.	.	H	α-helix	trans	-58	-46.1	178	177.3	152.5	0	0	0	111.4	L194 V195 T200 N201 L202 A270 L273 Y274 I277	L194-L198 WeakPolarHBondContact O-CB 3.45Å; L194-L198 PolarHBondContact O-N 3.39Å; V195-L198 PolarHBondContact O-N 3.05Å; L198-T200 PolarHBondContact O-N 3.12Å; L198-N201 PolarHBondContact O-N 3.02Å; L198-L202 HydrophobicContact CD2-CD1 3.76Å; L198-L202 HydrophobicContact CD2-CG 4.47Å; L198-L202 PolarHBondContact O-N 2.94Å; L198-L202 VanDerWaalsContact O-N 3.15Å; L198-A270 HydrophobicContact CG-CB 4.48Å; L198-L273 HydrophobicContact CB-CB 4.21Å; L198-Y274 HydrophobicContact CD1-CD2 4.32Å; L198-I277 HydrophobicContact CB-CD1 4.15Å; L198-I277 HydrophobicContact CD1-CD1 3.81Å
199	T	95.5	Very high	90.9	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.1	-47.6	177.1	-58.2	0	0	0	0	110.7	Y35 A36 V39 V40 V195 H196 L197 N201 L202 C203	Y35-T199 HydrophobicContact CE1-CG2 4.28Å; A36-T199 WeakPolarHBondContact CA-OG1 3.49Å; A36-T199 HydrophobicContact CB-CG2 4.4Å; A36-T199 WeakPolarHBondContact CB-OG1 3.45Å; V39-T199 HydrophobicContact CB-CG2 3.73Å; V39-T199 HydrophobicContact CG1-CG2 3.87Å; V40-T199 HydrophobicContact CG2-CG2 4.24Å; V195-T199 VanDerWaalsContact O-CB 3.28Å; V195-T199 WeakPolarHBondContact O-CB 3.43Å; V195-T199 PolarHBondContact O-N 3.02Å; V195-T199 PolarHBondContact O-OG1 3.4Å; H196-T199 PolarHBondContact O-N 3.34Å; L197-T199 VanDerWaalsContact C-N 3.33Å; L197-T199 PolarHBondContact O-N 2.97Å; T199-N201 PolarHBondContact O-N 3.28Å; T199-L202 WeakPolarHBondContact O-CB 3.45Å; T199-L202 PolarHBondContact O-N 3.46Å; T199-L202 VanDerWaalsContact O-N 3.1Å; T199-C203 PolarHBondContact O-N 2.89Å; T199-C203 PolarHBondContact O-SG 2.85Å
200	T	96.2	Very high	90.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.1	-42.3	179.4	-65.9	0	0	0	0	112.2	L75 C79 F167 H196 L197 L198 L202 C203 I204	L75-T200 HydrophobicContact CB-CG2 3.79Å; C79-T200 WeakPolarHBondContact SG-CB 3.41Å; C79-T200 PolarHBondContact SG-OG1 3.45Å; F167-T200 HydrophobicContact CE2-CG2 4.21Å; F167-T200 HydrophobicContact CZ-CG2 4.24Å; H196-T200 WeakPolarHBondContact O-CB 3.17Å; H196-T200 PolarHBondContact O-N 3.17Å; H196-T200 PolarHBondContact O-OG1 2.91Å; L197-T200 PolarHBondContact O-N 3.17Å; L198-T200 PolarHBondContact O-N 3.12Å; T200-L202 VanDerWaalsContact C-N 3.34Å; T200-L202 PolarHBondContact O-N 3.34Å; T200-C203 WeakPolarHBondContact O-CB 3.3Å; T200-C203 PolarHBondContact O-N 3.36Å; T200-I204 HydrophobicContact CG2-CD1 3.64Å; T200-I204 HydrophobicContact CG2-CG1 4.37Å; T200-I204 WeakPolarHBondContact O-CD1 3.34Å; T200-I204 VanDerWaalsContact O-CG1 3.24Å; T200-I204 WeakPolarHBondContact O-CG1 3.32Å; T200-I204 PolarHBondContact O-N 3.21Å
201	N	95.1	Very high	90.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.7	-39.6	175.1	-73.3	-86.8	0	0	0	112.1	Q171 L197 L198 T199 I204 W205 C266 A269 A270	Q171-N201 PolarHBondContact NE2-ND2 3.4Å; Q171-N201 PolarHBondContact NE2-OD1 2.9Å; Q171-N201 PolarHBondContact OE1-ND2 2.97Å; L197-N201 PolarHBondContact O-N 2.95Å; L197-N201 PolarHBondContact O-ND2 3.42Å; L198-N201 PolarHBondContact O-N 3.02Å; T199-N201 PolarHBondContact O-N 3.28Å; N201-I204 PolarHBondContact O-N 3.17Å; N201-W205 WeakPolarHBondContact O-CB 3.42Å; N201-W205 PolarHBondContact O-N 3.38Å; N201-C266 HydrophobicContact CB-CB 4.29Å; N201-C266 WeakPolarHBondContact CB-O 3.48Å; N201-C266 WeakPolarHBondContact O-CB 3.18Å; N201-A269 WeakPolarHBondContact OD1-CB 3.19Å; N201-A270 HydrophobicContact CB-CB 4.12Å
202	L	92.8	Very high	90.4	Very high	55 Å²	55	18.5 Å²	18.5	29%	0.288	10%	0.102	S	C	.	.	H	α-helix	trans	-65.8	-38.2	174.5	-65	176.2	0	0	0	112.1	V40 L198 T199 T200 W205 A206 A270	V40-L202 HydrophobicContact CG2-CB 3.73Å; L198-L202 HydrophobicContact CD2-CD1 3.76Å; L198-L202 HydrophobicContact CD2-CG 4.47Å; L198-L202 PolarHBondContact O-N 2.94Å; L198-L202 VanDerWaalsContact O-N 3.15Å; T199-L202 WeakPolarHBondContact O-CB 3.45Å; T199-L202 PolarHBondContact O-N 3.46Å; T199-L202 VanDerWaalsContact O-N 3.1Å; T200-L202 VanDerWaalsContact C-N 3.34Å; T200-L202 PolarHBondContact O-N 3.34Å; L202-W205 PolarHBondContact O-N 3.41Å; L202-A206 WeakPolarHBondContact O-CB 3.32Å; L202-A206 PolarHBondContact O-N 3.19Å; L202-A270 HydrophobicContact CD2-CB 4.15Å; L202-A270 HydrophobicContact CG-CB 4.42Å
203	C	94.6	Very high	89.9	Confident	3 Å²	3	17.5 Å²	17.5	2%	0.02	9%	0.09	C	C	.	.	H	α-helix	trans	-62.3	-47	174.8	-63.4	0	0	0	0	112.2	S43 L75 T199 T200 A206 D207	S43-C203 WeakPolarHBondContact OG-CA 3.46Å; S43-C203 WeakPolarHBondContact OG-CB 3.31Å; L75-C203 HydrophobicContact CD1-CB 3.8Å; T199-C203 PolarHBondContact O-N 2.89Å; T199-C203 PolarHBondContact O-SG 2.85Å; T200-C203 WeakPolarHBondContact O-CB 3.3Å; T200-C203 PolarHBondContact O-N 3.36Å; C203-A206 PolarHBondContact O-N 3.47Å; C203-D207 WeakPolarHBondContact O-CB 3.4Å; C203-D207 PolarHBondContact O-N 2.86Å
204	I	92.9	Very high	89.2	Confident	7 Å²	7	16.2 Å²	16.2	4%	0.036	9%	0.086	C	C	.	.	H	α-helix	trans	-64.8	-42.5	178.4	-62.2	154.9	0	0	0	110.3	Y76 F167 T200 N201 A206 D207 I208 C266	Y76-I204 HydrophobicContact CD1-CD1 4.16Å; Y76-I204 HydrophobicContact CE1-CD1 3.38Å; Y76-I204 HydrophobicContact CE1-CG1 3.99Å; F167-I204 HydrophobicContact CD1-CD1 4.4Å; F167-I204 HydrophobicContact CE1-CD1 3.65Å; F167-I204 HydrophobicContact CZ-CD1 3.89Å; T200-I204 HydrophobicContact CG2-CD1 3.64Å; T200-I204 HydrophobicContact CG2-CG1 4.37Å; T200-I204 WeakPolarHBondContact O-CD1 3.34Å; T200-I204 VanDerWaalsContact O-CG1 3.24Å; T200-I204 WeakPolarHBondContact O-CG1 3.32Å; T200-I204 PolarHBondContact O-N 3.21Å; N201-I204 PolarHBondContact O-N 3.17Å; I204-A206 VanDerWaalsContact C-N 3.33Å; I204-A206 PolarHBondContact O-N 3.39Å; I204-D207 PolarHBondContact O-N 3.01Å; I204-I208 HydrophobicContact CG2-CD1 3.64Å; I204-I208 HydrophobicContact CG2-CG1 4.29Å; I204-I208 WeakPolarHBondContact O-CB 3.1Å; I204-I208 VanDerWaalsContact O-CG1 3.29Å; I204-I208 WeakPolarHBondContact O-CG1 3.04Å; I204-I208 PolarHBondContact O-N 3.47Å; I204-C266 VanDerWaalsContact CG2-SG 3.54Å
205	W	90.5	Very high	88.5	Confident	61 Å²	61	18.8 Å²	18.8	23%	0.231	10%	0.097	C	C	.	.	H	α-helix	trans	-59.5	-42.6	174.8	171.4	81.1	0	0	0	112.4	N201 L202 S209 C266 L267	N201-W205 WeakPolarHBondContact O-CB 3.42Å; N201-W205 PolarHBondContact O-N 3.38Å; L202-W205 PolarHBondContact O-N 3.41Å; W205-S209 VanDerWaalsContact O-CB 3.3Å; W205-S209 WeakPolarHBondContact O-CB 3.44Å; W205-S209 PolarHBondContact O-N 3.04Å; W205-S209 PolarHBondContact O-OG 3.01Å; W205-C266 HydrophobicContact CB-CB 3.99Å; W205-L267 VanDerWaalsContact CD1-CG 3.46Å; W205-L267 HydrophobicContact CD2-CD2 4.17Å; W205-L267 HydrophobicContact CG-CD2 4.08Å; W205-L267 HydrophobicContact CG-CG 4.03Å
206	A	88	Confident	87.6	Confident	6 Å²	6	18.3 Å²	18.3	5%	0.05	9%	0.094	C	C	.	.	H	α-helix	trans	-65.9	-48.2	177.2	0	0	0	0	0	111.7	L202 C203 I204 I208 S209 V210	L202-A206 WeakPolarHBondContact O-CB 3.32Å; L202-A206 PolarHBondContact O-N 3.19Å; C203-A206 PolarHBondContact O-N 3.47Å; I204-A206 VanDerWaalsContact C-N 3.33Å; I204-A206 PolarHBondContact O-N 3.39Å; A206-I208 PolarHBondContact O-N 2.92Å; A206-S209 PolarHBondContact O-N 2.7Å; A206-S209 VanDerWaalsContact O-N 3.16Å; A206-V210 WeakPolarHBondContact O-CG2 3.45Å; A206-V210 PolarHBondContact O-N 3.3Å
207	D	88.8	Confident	86.6	Confident	29 Å²	29	18.5 Å²	18.5	16%	0.155	10%	0.095	C	C	.	.	H	α-helix	trans	-58.2	-45.1	178	-175.1	96.5	0	0	0	112.2	A47 R68 C203 I204 V210 G211	A47-D207 HydrophobicContact CB-CB 4.48Å; R68-D207 IonicContact CZ-OD1 3.39Å; R68-D207 IonicContact CZ-OD2 3.42Å; R68-D207 IonicContact NE-OD1 3.79Å; R68-D207 PolarHBondContact NE-OD1 3.36Å; R68-D207 IonicContact NE-OD2 3.3Å; R68-D207 PolarHBondContact NE-OD2 3.26Å; R68-D207 VanDerWaalsContact NH2-CG 3.34Å; R68-D207 PolarHBondContact NH2-O 2.98Å; R68-D207 IonicContact NH2-OD1 2.76Å; R68-D207 PolarHBondContact NH2-OD1 2.98Å; R68-D207 IonicContact NH2-OD2 2.73Å; R68-D207 PolarHBondContact NH2-OD2 2.97Å; C203-D207 WeakPolarHBondContact O-CB 3.4Å; C203-D207 PolarHBondContact O-N 2.86Å; I204-D207 PolarHBondContact O-N 3.01Å; D207-V210 PolarHBondContact O-N 2.78Å; D207-G211 PolarHBondContact O-N 2.75Å
208	I	86.7	Confident	85.4	Confident	15 Å²	15	23.7 Å²	23.7	8%	0.077	12%	0.115	C	C	.	.	H	α-helix	trans	-69.5	-33.8	177.8	-68.4	177.6	0	0	0	111.3	I204 A206 G211 K212 L259 V262	I204-I208 HydrophobicContact CG2-CD1 3.64Å; I204-I208 HydrophobicContact CG2-CG1 4.29Å; I204-I208 WeakPolarHBondContact O-CB 3.1Å; I204-I208 VanDerWaalsContact O-CG1 3.29Å; I204-I208 WeakPolarHBondContact O-CG1 3.04Å; I204-I208 PolarHBondContact O-N 3.47Å; A206-I208 PolarHBondContact O-N 2.92Å; I208-G211 PolarHBondContact O-N 2.67Å; I208-K212 WeakPolarHBondContact O-CG 3.29Å; I208-K212 PolarHBondContact O-N 3.43Å; I208-L259 HydrophobicContact CG2-CD2 4.28Å; I208-L259 HydrophobicContact CG2-CG 4.2Å; I208-V262 HydrophobicContact CD1-CB 3.69Å; I208-V262 HydrophobicContact CD1-CG1 3.34Å
209	S	83.5	Confident	84	Confident	13 Å²	13	26.4 Å²	26.4	9%	0.091	12%	0.124	C	C	.	.	H	α-helix	trans	-66.6	-42.4	175.1	-62	0	0	0	0	111.7	W205 A206 K212 I213	W205-S209 VanDerWaalsContact O-CB 3.3Å; W205-S209 WeakPolarHBondContact O-CB 3.44Å; W205-S209 PolarHBondContact O-N 3.04Å; W205-S209 PolarHBondContact O-OG 3.01Å; A206-S209 PolarHBondContact O-N 2.7Å; A206-S209 VanDerWaalsContact O-N 3.16Å; S209-K212 PolarHBondContact O-N 3.44Å; S209-I213 WeakPolarHBondContact O-CD1 3.4Å; S209-I213 WeakPolarHBondContact O-CG1 3.2Å; S209-I213 PolarHBondContact O-N 3.33Å
210	V	84.2	Confident	82.4	Confident	9 Å²	9	27 Å²	27	6%	0.055	13%	0.129	C	C	.	.	H	α-helix	trans	-63.7	-42.5	170.4	176.8	0	0	0	0	111.1	L44 A47 V48 M51 A206 D207 K212 I213 D214	L44-V210 HydrophobicContact CD1-CG2 3.79Å; A47-V210 HydrophobicContact CB-CB 3.98Å; A47-V210 HydrophobicContact CB-CG1 4.06Å; A47-V210 HydrophobicContact CB-CG2 4.1Å; V48-V210 HydrophobicContact CG2-CG1 4.38Å; V48-V210 HydrophobicContact CG2-CG2 4.07Å; M51-V210 HydrophobicContact CG-CG1 3.61Å; M51-V210 HydrophobicContact SD-CG1 3.66Å; A206-V210 WeakPolarHBondContact O-CG2 3.45Å; A206-V210 PolarHBondContact O-N 3.3Å; D207-V210 PolarHBondContact O-N 2.78Å; V210-K212 VanDerWaalsContact C-N 3.32Å; V210-K212 PolarHBondContact O-N 3.1Å; V210-I213 WeakPolarHBondContact O-CB 3.24Å; V210-I213 PolarHBondContact O-N 3.26Å; V210-I213 VanDerWaalsContact O-N 3.08Å; V210-D214 WeakPolarHBondContact O-CB 3.45Å; V210-D214 PolarHBondContact O-N 2.93Å
211	G	81.5	Confident	80.8	Confident	11 Å²	11	31.1 Å²	31.1	11%	0.113	15%	0.151	C	C	.	.	H	α-helix	trans	-62.2	-32.8	176.1	0	0	0	0	0	114.3	D207 I208 K215	D207-G211 PolarHBondContact O-N 2.75Å; I208-G211 PolarHBondContact O-N 2.67Å; G211-K215 WeakPolarHBondContact O-CB 3.41Å; G211-K215 PolarHBondContact O-N 3.4Å
212	K	78	Confident	79.1	Confident	15 Å²	15	33.7 Å²	33.7	7%	0.065	16%	0.164	C	C	.	.	H	α-helix	trans	-64.4	-46.4	169.5	-73	175	-170.7	171.2	0	110.9	I208 S209 V210 T216 L259 S263 P517	I208-K212 WeakPolarHBondContact O-CG 3.29Å; I208-K212 PolarHBondContact O-N 3.43Å; S209-K212 PolarHBondContact O-N 3.44Å; V210-K212 VanDerWaalsContact C-N 3.32Å; V210-K212 PolarHBondContact O-N 3.1Å; K212-T216 VanDerWaalsContact O-CB 3.27Å; K212-T216 WeakPolarHBondContact O-CB 3.44Å; K212-T216 PolarHBondContact O-N 2.67Å; K212-T216 PolarHBondContact O-OG1 3.22Å; K212-L259 HydrophobicContact CG-CB 4.33Å; K212-L259 HydrophobicContact CG-CD2 3.73Å; K212-S263 PolarHBondContact NZ-OG 3.3Å; K212-P517 HydrophobicContact CB-CG 4.42Å; K212-P517 HydrophobicContact CD-CB 4.11Å; K212-P517 HydrophobicContact CD-CG 3.98Å
213	I	79.3	Confident	77.4	Confident	24 Å²	24	33.3 Å²	33.3	12%	0.123	16%	0.16	C	C	.	.	H	α-helix	trans	-60.7	-49.5	-179	-66.9	158.2	0	0	0	109.7	M51 S209 V210 T216 L217 V513 V514	M51-I213 HydrophobicContact CE-CG2 3.87Å; S209-I213 WeakPolarHBondContact O-CD1 3.4Å; S209-I213 WeakPolarHBondContact O-CG1 3.2Å; S209-I213 PolarHBondContact O-N 3.33Å; V210-I213 WeakPolarHBondContact O-CB 3.24Å; V210-I213 PolarHBondContact O-N 3.26Å; V210-I213 VanDerWaalsContact O-N 3.08Å; I213-T216 PolarHBondContact O-N 2.83Å; I213-L217 HydrophobicContact CG2-CD1 3.87Å; I213-L217 HydrophobicContact CG2-CG 4.47Å; I213-L217 WeakPolarHBondContact O-CG 3.21Å; I213-L217 PolarHBondContact O-N 2.95Å; I213-V513 HydrophobicContact CB-CG1 4.1Å; I213-V513 HydrophobicContact CG1-CG1 4.13Å; I213-V513 HydrophobicContact CG2-CG1 3.98Å; I213-V514 HydrophobicContact CD1-CB 4.39Å; I213-V514 HydrophobicContact CD1-CG2 3.98Å; I213-V514 HydrophobicContact CG1-CG2 4.3Å; I213-V514 HydrophobicContact CG2-CG2 4.23Å
214	D	78	Confident	75.3	Confident	24 Å²	24	35.9 Å²	35.9	13%	0.128	17%	0.17	C	C	.	.	H	α-helix	trans	-61.8	-53.5	-180	-162	52.2	0	0	0	112.6	M51 Q52 V210 T216 L217 W218	M51-D214 WeakPolarHBondContact CA-OD1 3.21Å; M51-D214 WeakPolarHBondContact CB-OD1 3.42Å; M51-D214 HydrophobicContact CE-CB 4.09Å; M51-D214 HydrophobicContact CG-CB 4.2Å; Q52-D214 PolarHBondContact N-OD1 2.94Å; V210-D214 WeakPolarHBondContact O-CB 3.45Å; V210-D214 PolarHBondContact O-N 2.93Å; D214-T216 PolarHBondContact O-N 3.2Å; D214-L217 PolarHBondContact O-N 3.46Å; D214-W218 WeakPolarHBondContact O-CB 3.31Å; D214-W218 PolarHBondContact O-N 3.35Å
215	K	75.7	Confident	73.2	Confident	57 Å²	57	39 Å²	39	25%	0.248	19%	0.193	C	C	.	.	H	α-helix	trans	-58.3	-33.2	174.9	-82.7	-161.6	169.6	-166.7	0	112.2	E146 G211 Y219 S255 F256	E146-K215 IonicContact OE1-NZ 2.65Å; E146-K215 PolarHBondContact OE1-NZ 2.9Å; E146-K215 IonicContact OE2-NZ 2.93Å; G211-K215 WeakPolarHBondContact O-CB 3.41Å; G211-K215 PolarHBondContact O-N 3.4Å; K215-Y219 WeakPolarHBondContact O-CB 3.22Å; K215-Y219 PolarHBondContact O-N 3.42Å; K215-S255 PolarHBondContact NZ-OG 3.44Å; K215-F256 HydrophobicContact CB-CD2 3.96Å; K215-F256 HydrophobicContact CB-CE2 3.7Å; K215-F256 HydrophobicContact CD-CD2 4.03Å
216	T	74.2	Confident	71.3	Confident	7 Å²	7	38.9 Å²	38.9	4%	0.043	20%	0.201	C	C	.	.	H	α-helix	trans	-75	-42.2	179.6	-53	0	0	0	0	112.8	K212 I213 D214 W218 Y219 G220 F256 F498 W509 V513	K212-T216 VanDerWaalsContact O-CB 3.27Å; K212-T216 WeakPolarHBondContact O-CB 3.44Å; K212-T216 PolarHBondContact O-N 2.67Å; K212-T216 PolarHBondContact O-OG1 3.22Å; I213-T216 PolarHBondContact O-N 2.83Å; D214-T216 PolarHBondContact O-N 3.2Å; T216-W218 VanDerWaalsContact C-N 3.33Å; T216-Y219 PolarHBondContact O-N 3.41Å; T216-G220 PolarHBondContact O-N 3.42Å; T216-G220 VanDerWaalsContact O-N 3.16Å; T216-F256 WeakPolarHBondContact OG1-CZ 3.22Å; T216-F498 HydrophobicContact CG2-CE1 3.8Å; T216-F498 HydrophobicContact CG2-CZ 4.19Å; T216-W509 HydrophobicContact CG2-CH2 4.41Å; T216-W509 HydrophobicContact CG2-CZ2 3.91Å; T216-V513 HydrophobicContact CG2-CB 4.42Å; T216-V513 HydrophobicContact CG2-CG1 3.92Å; T216-V513 HydrophobicContact CG2-CG2 3.57Å
217	L	74	Confident	69.3	Low	22 Å²	22	44 Å²	44	12%	0.115	22%	0.224	C	C	.	.	H	α-helix	trans	-62.6	-42.3	173.6	-70.9	170.1	0	0	0	111	M51 I213 D214 G220 N221 I510	M51-L217 HydrophobicContact CE-CD1 4.05Å; I213-L217 HydrophobicContact CG2-CD1 3.87Å; I213-L217 HydrophobicContact CG2-CG 4.47Å; I213-L217 WeakPolarHBondContact O-CG 3.21Å; I213-L217 PolarHBondContact O-N 2.95Å; D214-L217 PolarHBondContact O-N 3.46Å; L217-G220 PolarHBondContact O-N 3.49Å; L217-N221 PolarHBondContact O-N 3.32Å; L217-I510 HydrophobicContact CD2-CG1 4.04Å
218	W	69.8	Low	67.1	Low	115 Å²	115	50.1 Å²	50.1	44%	0.436	25%	0.251	S	S	.	.	H	α-helix	trans	-62.3	-46	175.9	-178.5	90.7	0	0	0	112.5	D214 T216 G220 N221 Q222	D214-W218 WeakPolarHBondContact O-CB 3.31Å; D214-W218 PolarHBondContact O-N 3.35Å; T216-W218 VanDerWaalsContact C-N 3.33Å; W218-G220 PolarHBondContact O-N 2.96Å; W218-N221 CarbonylContact O-C 3.58Å; W218-N221 WeakPolarHBondContact O-CA 3.34Å; W218-N221 PolarHBondContact O-N 3.43Å; W218-Q222 HydrophobicContact CH2-CB 4.45Å; W218-Q222 HydrophobicContact CH2-CG 4.31Å; W218-Q222 VanDerWaalsContact CH2-OE1 3.25Å; W218-Q222 HydrophobicContact CZ2-CG 4.4Å; W218-Q222 HydrophobicContact CZ3-CB 4.47Å; W218-Q222 PolarHBondContact O-N 2.86Å
219	Y	63.9	Low	65.1	Low	82 Å²	82	53 Å²	53	32%	0.322	27%	0.27	S	S	.	.	H	α-helix	trans	-60.6	-43	179.2	-166.4	-88.4	0	0	0	112	K215 T216 N221 Q222 K223	K215-Y219 WeakPolarHBondContact O-CB 3.22Å; K215-Y219 PolarHBondContact O-N 3.42Å; T216-Y219 PolarHBondContact O-N 3.41Å; Y219-N221 PolarHBondContact O-N 2.92Å; Y219-Q222 PolarHBondContact O-N 2.92Å; Y219-K223 PolarHBondContact O-N 3.36Å
220	G	62.6	Low	63.2	Low	12 Å²	12	60.3 Å²	60.3	12%	0.124	30%	0.297	C	S	.	.	H	α-helix	trans	-63.2	-23.6	173.1	0	0	0	0	0	114.1	T216 L217 W218 K224	T216-G220 PolarHBondContact O-N 3.42Å; T216-G220 VanDerWaalsContact O-N 3.16Å; L217-G220 PolarHBondContact O-N 3.49Å; W218-G220 PolarHBondContact O-N 2.96Å; G220-K224 WeakPolarHBondContact O-CE 3.37Å
221	N	63	Low	61.3	Low	86 Å²	86	67.2 Å²	67.2	46%	0.46	33%	0.334	S	S	.	.	H	α-helix	trans	-90	-37.9	177	-149.2	40.3	0	0	0	113	L217 W218 Y219 K223 K224	L217-N221 PolarHBondContact O-N 3.32Å; W218-N221 CarbonylContact O-C 3.58Å; W218-N221 WeakPolarHBondContact O-CA 3.34Å; W218-N221 PolarHBondContact O-N 3.43Å; Y219-N221 PolarHBondContact O-N 2.92Å; N221-K223 VanDerWaalsContact C-N 3.28Å; N221-K223 PolarHBondContact O-N 3.25Å; N221-K224 WeakPolarHBondContact O-CB 3.48Å; N221-K224 PolarHBondContact O-N 3.35Å; N221-K224 WeakPolarHBondContact OD1-CD 3.34Å; N221-K224 WeakPolarHBondContact OD1-CE 3.45Å; N221-K224 PolarHBondContact OD1-NZ 3.29Å
222	Q	59.7	Low	59.4	Low	55 Å²	55	77.5 Å²	77.5	26%	0.257	37%	0.369	S	S	.	.	H	α-helix	trans	-61.2	-39.1	177.6	-165.4	-172.5	39.1	0	0	111.4	W218 Y219 K224 S225 S226	W218-Q222 HydrophobicContact CH2-CB 4.45Å; W218-Q222 HydrophobicContact CH2-CG 4.31Å; W218-Q222 VanDerWaalsContact CH2-OE1 3.25Å; W218-Q222 HydrophobicContact CZ2-CG 4.4Å; W218-Q222 HydrophobicContact CZ3-CB 4.47Å; W218-Q222 PolarHBondContact O-N 2.86Å; Y219-Q222 PolarHBondContact O-N 2.92Å; Q222-K224 PolarHBondContact O-N 2.93Å; Q222-S225 WeakPolarHBondContact O-CB 3.35Å; Q222-S225 PolarHBondContact O-N 3.07Å; Q222-S226 PolarHBondContact O-N 2.93Å; Q222-S226 VanDerWaalsContact O-N 3.09Å; Q222-S226 PolarHBondContact O-OG 3.49Å
223	K	55.8	Low	57.8	Low	47 Å²	47	80.8 Å²	80.8	20%	0.204	39%	0.394	C	S	.	.	H	α-helix	trans	-50.9	-41.8	177	-157.9	-178.4	-168.1	-176.1	0	112.8	Y219 N221 S225 S226 E227 F498 M499	Y219-K223 PolarHBondContact O-N 3.36Å; N221-K223 VanDerWaalsContact C-N 3.28Å; N221-K223 PolarHBondContact O-N 3.25Å; K223-S225 VanDerWaalsContact C-N 3.31Å; K223-S225 PolarHBondContact O-N 2.87Å; K223-S226 PolarHBondContact O-N 3Å; K223-E227 PolarHBondContact O-N 2.76Å; K223-F498 PolarHBondContact NZ-O 2.91Å; K223-M499 PolarHBondContact NZ-O 2.78Å
224	K	51.8	Low	56.2	Low	57 Å²	57	89.1 Å²	89.1	25%	0.248	43%	0.432	C	S	.	.	H	α-helix	trans	-63.2	-34.8	177.6	-43.8	-178.2	-167.8	-177.8	0	112.7	G220 N221 Q222 H228 T502 N503	G220-K224 WeakPolarHBondContact O-CE 3.37Å; N221-K224 WeakPolarHBondContact O-CB 3.48Å; N221-K224 PolarHBondContact O-N 3.35Å; N221-K224 WeakPolarHBondContact OD1-CD 3.34Å; N221-K224 WeakPolarHBondContact OD1-CE 3.45Å; N221-K224 PolarHBondContact OD1-NZ 3.29Å; Q222-K224 PolarHBondContact O-N 2.93Å; K224-H228 PolarHBondContact O-CD2 3.02Å; K224-T502 VanDerWaalsContact CD-O 3.27Å; K224-T502 WeakPolarHBondContact CD-O 3.41Å; K224-T502 WeakPolarHBondContact CE-O 3.49Å; K224-T502 HydrophobicContact CG-CG2 4.02Å; K224-T502 PolarHBondContact NZ-O 3.49Å; K224-N503 PolarHBondContact NZ-OD1 3.42Å
225	S	48.5	Very low	54.7	Low	73 Å²	73	96 Å²	96	51%	0.51	47%	0.466	S	S	.	.	H	α-helix	trans	-78.2	-35.5	-178.8	-153.9	0	0	0	0	111.7	Q222 K223 H228 T229	Q222-S225 WeakPolarHBondContact O-CB 3.35Å; Q222-S225 PolarHBondContact O-N 3.07Å; K223-S225 VanDerWaalsContact C-N 3.31Å; K223-S225 PolarHBondContact O-N 2.87Å; S225-H228 PolarHBondContact O-N 3.3Å; S225-T229 WeakPolarHBondContact O-CB 3.47Å; S225-T229 PolarHBondContact O-N 3.17Å; S225-T229 VanDerWaalsContact O-N 3.08Å; S225-T229 PolarHBondContact O-OG1 2.9Å
226	S	49.4	Very low	53.4	Low	58 Å²	58	100 Å²	100	41%	0.406	49%	0.49	S	S	.	.	H	α-helix	trans	-64.6	-42.8	176.6	-62.4	0	0	0	0	112.9	Q222 K223 H228 T229 Y230	Q222-S226 PolarHBondContact O-N 2.93Å; Q222-S226 VanDerWaalsContact O-N 3.09Å; Q222-S226 PolarHBondContact O-OG 3.49Å; K223-S226 PolarHBondContact O-N 3Å; S226-H228 VanDerWaalsContact C-N 3.3Å; S226-H228 PolarHBondContact O-N 3.38Å; S226-T229 PolarHBondContact O-N 3.16Å; S226-T229 VanDerWaalsContact O-N 3.09Å; S226-Y230 PolarHBondContact O-N 3.08Å
227	E	46.1	Very low	52.3	Low	113 Å²	113	107.3 Å²	107.3	53%	0.528	53%	0.529	S	S	.	.	H	α-helix	trans	-58.8	-39.7	176.5	-72.2	-178.3	162.4	0	0	112.3	K223	K223-E227 PolarHBondContact O-N 2.76Å
228	H	43.4	Very low	51.3	Low	157 Å²	157	111.4 Å²	111.4	73%	0.727	55%	0.551	S	S	*	*	H	α-helix	trans	-74.7	-25.9	175.5	-76.6	-58.5	0	0	0	114.1	K224 S225 S226	K224-H228 PolarHBondContact O-CD2 3.02Å; S225-H228 PolarHBondContact O-N 3.3Å; S226-H228 VanDerWaalsContact C-N 3.3Å; S226-H228 PolarHBondContact O-N 3.38Å
229	T	45.2	Very low	50.7	Low	77 Å²	77	112.6 Å²	112.6	47%	0.472	57%	0.565	S	S	.	*	H	α-helix	trans	-86.2	-31.7	-175.3	-57	0	0	0	0	112.8	S225 S226 N231 R232	S225-T229 WeakPolarHBondContact O-CB 3.47Å; S225-T229 PolarHBondContact O-N 3.17Å; S225-T229 VanDerWaalsContact O-N 3.08Å; S225-T229 PolarHBondContact O-OG1 2.9Å; S226-T229 PolarHBondContact O-N 3.16Å; S226-T229 VanDerWaalsContact O-N 3.09Å; T229-N231 VanDerWaalsContact C-N 3.26Å; T229-N231 PolarHBondContact O-N 3.47Å; T229-R232 PolarHBondContact O-N 3.37Å
230	Y	43.8	Very low	50.4	Low	165 Å²	165	114.3 Å²	114.3	65%	0.647	58%	0.584	S	S	*	*	H	α-helix	trans	-59	-37.5	-177.4	-128.4	-86.4	0	0	0	112.6	S226 R232 S233 I337	S226-Y230 PolarHBondContact O-N 3.08Å; Y230-R232 PolarHBondContact O-N 3.33Å; Y230-S233 PolarHBondContact O-N 3.25Å; Y230-I337 HydrophobicContact CD1-CD1 4.38Å; Y230-I337 HydrophobicContact CE1-CD1 3.81Å; Y230-I337 HydrophobicContact CE2-CD1 3.97Å
231	N	43.7	Very low	50.1	Low	155 Å²	155	118.1 Å²	118.1	83%	0.829	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	3	176.5	-66.2	-18.5	0	0	0	115	T229	T229-N231 VanDerWaalsContact C-N 3.26Å; T229-N231 PolarHBondContact O-N 3.47Å
232	R	42.1	Very low	49.7	Very low	226 Å²	226	119.4 Å²	119.4	85%	0.853	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.4	-11.5	-176.8	-172.1	172.9	-72	-168.2	-2.4	114.2	T229 Y230	T229-R232 PolarHBondContact O-N 3.37Å; Y230-R232 PolarHBondContact O-N 3.33Å
233	S	42.9	Very low	49.6	Very low	85 Å²	85	122.1 Å²	122.1	59%	0.594	62%	0.623	S	S	*	*			trans	-105.1	8.9	-161.2	-164	0	0	0	0	116.4	Y230 M235	Y230-S233 PolarHBondContact O-N 3.25Å; S233-M235 PolarHBondContact O-N 3.17Å
234	E	47.1	Very low	49.8	Very low	198 Å²	198	124.9 Å²	124.9	93%	0.925	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	9.3	-170.9	-152.1	174.4	-151.4	0	0	115.3
235	M	45.3	Very low	50.4	Low	170 Å²	170	129.1 Å²	129.1	84%	0.837	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.4	17.8	-161.1	-141	177.9	87.7	0	0	117.1	S233	S233-M235 PolarHBondContact O-N 3.17Å
236	N	48.9	Very low	51.1	Low	140 Å²	140	128.6 Å²	128.6	75%	0.749	65%	0.649	S	S	*	*			trans	-144.1	101.8	176.1	-92.7	-51	0	0	0	114.3	N238	N236-N238 PolarHBondContact O-N 2.82Å; N236-N238 VanDerWaalsContact O-N 3.15Å
237	N	50.5	Low	51.9	Low	160 Å²	160	130.5 Å²	130.5	86%	0.856	65%	0.651	S	S	*	*			trans	-88.3	63.8	-175.2	-72.1	-24.2	0	0	0	114.1	L239	N237-L239 PolarHBondContact O-N 3.31Å; N237-L239 VanDerWaalsContact O-N 3.14Å
238	N	54.1	Low	52.8	Low	108 Å²	108	127.3 Å²	127.3	58%	0.578	64%	0.638	S	S	*	*			trans	-85.4	76.9	170.7	-76.4	-9.3	0	0	0	111.1	N236 T240 L241 L242	N236-N238 PolarHBondContact O-N 2.82Å; N236-N238 VanDerWaalsContact O-N 3.15Å; N238-T240 VanDerWaalsContact C-N 3.3Å; N238-T240 PolarHBondContact O-N 2.81Å; N238-L241 HydrophobicContact CB-CB 4.11Å; N238-L241 WeakPolarHBondContact O-CB 3.36Å; N238-L241 PolarHBondContact O-N 2.65Å; N238-L242 PolarHBondContact O-N 3.09Å
239	L	57	Low	53.9	Low	140 Å²	140	125.9 Å²	125.9	73%	0.733	63%	0.626	S	S	*	*	H	α-helix	trans	-49.7	-42.8	-172.2	-174.4	64.8	0	0	0	114.2	N237 L242 D243	N237-L239 PolarHBondContact O-N 3.31Å; N237-L239 VanDerWaalsContact O-N 3.14Å; L239-L242 WeakPolarHBondContact O-CB 3.3Å; L239-L242 PolarHBondContact O-N 2.79Å; L239-D243 PolarHBondContact O-N 3.47Å
240	T	58.4	Low	55.1	Low	118 Å²	118	126.9 Å²	126.9	72%	0.724	63%	0.629	S	S	*	*	H	α-helix	trans	-71.9	-30.7	-179.2	49.8	0	0	0	0	113.8	N238 L242 N244	N238-T240 VanDerWaalsContact C-N 3.3Å; N238-T240 PolarHBondContact O-N 2.81Å; T240-L242 VanDerWaalsContact C-N 3.31Å; T240-N244 PolarHBondContact O-N 3.43Å
241	L	56.3	Low	56.4	Low	92 Å²	92	120 Å²	120	48%	0.482	60%	0.603	S	S	.	*	H	α-helix	trans	-72.3	-30.9	174.1	-169.6	77.1	0	0	0	111.1	N238 R245	N238-L241 HydrophobicContact CB-CB 4.11Å; N238-L241 WeakPolarHBondContact O-CB 3.36Å; N238-L241 PolarHBondContact O-N 2.65Å; L241-R245 WeakPolarHBondContact O-CB 3.24Å; L241-R245 WeakPolarHBondContact O-CG 3.38Å; L241-R245 PolarHBondContact O-N 3.21Å
242	L	54.2	Low	57.7	Low	113 Å²	113	114.3 Å²	114.3	59%	0.592	57%	0.574	S	S	*	*	H	α-helix	trans	-70.2	-42.6	178.5	-159.1	73.5	0	0	0	111.3	N238 L239 T240 R245 T246	N238-L242 PolarHBondContact O-N 3.09Å; L239-L242 WeakPolarHBondContact O-CB 3.3Å; L239-L242 PolarHBondContact O-N 2.79Å; T240-L242 VanDerWaalsContact C-N 3.31Å; L242-R245 WeakPolarHBondContact O-CB 3.34Å; L242-R245 PolarHBondContact O-N 2.63Å; L242-T246 PolarHBondContact O-N 3.41Å; L242-T246 PolarHBondContact O-OG1 2.91Å
243	D	57.8	Low	58.9	Low	112 Å²	112	105.9 Å²	105.9	60%	0.599	55%	0.546	S	S	*	.	H	α-helix	trans	-69.2	-42.2	-176.6	-158.4	42.5	0	0	0	113.1	L239 R245 T246 H247	L239-D243 PolarHBondContact O-N 3.47Å; D243-R245 VanDerWaalsContact C-N 3.27Å; D243-R245 PolarHBondContact O-N 2.92Å; D243-T246 WeakPolarHBondContact CA-OG1 3.28Å; D243-T246 PolarHBondContact O-N 3.11Å; D243-T246 PolarHBondContact O-OG1 3.02Å; D243-H247 WeakPolarHBondContact O-CB 3.45Å; D243-H247 PolarHBondContact O-N 3.44Å
244	N	60	Low	60.4	Low	105 Å²	105	105.8 Å²	105.8	56%	0.561	54%	0.538	S	S	*	.	H	α-helix	trans	-61.9	-36.5	170.3	-88	39.1	0	0	0	111.8	T240 L248	T240-N244 PolarHBondContact O-N 3.43Å; N244-L248 WeakPolarHBondContact O-CB 3.19Å; N244-L248 PolarHBondContact O-N 2.85Å
245	R	63.5	Low	61.8	Low	146 Å²	146	96.4 Å²	96.4	55%	0.551	49%	0.494	S	S	*	.	H	α-helix	trans	-68.1	-44.4	177.3	-81.1	177.4	169.7	-178.4	-2.7	112.2	L241 L242 D243 H247 L248 Y249	L241-R245 WeakPolarHBondContact O-CB 3.24Å; L241-R245 WeakPolarHBondContact O-CG 3.38Å; L241-R245 PolarHBondContact O-N 3.21Å; L242-R245 WeakPolarHBondContact O-CB 3.34Å; L242-R245 PolarHBondContact O-N 2.63Å; D243-R245 VanDerWaalsContact C-N 3.27Å; D243-R245 PolarHBondContact O-N 2.92Å; R245-H247 VanDerWaalsContact C-N 3.32Å; R245-H247 PolarHBondContact O-N 2.75Å; R245-L248 PolarHBondContact O-N 3.49Å; R245-Y249 HydrophobicContact CB-CD2 4.48Å; R245-Y249 HydrophobicContact CB-CE2 4.36Å; R245-Y249 WeakPolarHBondContact O-CD2 3.34Å; R245-Y249 PolarHBondContact O-N 3.07Å
246	T	63.2	Low	63.2	Low	62 Å²	62	88.9 Å²	88.9	38%	0.38	46%	0.457	S	S	.	.	H	α-helix	trans	-64.6	-37.7	176.4	49.5	0	0	0	0	111.5	L242 D243 Y249 N250	L242-T246 PolarHBondContact O-N 3.41Å; L242-T246 PolarHBondContact O-OG1 2.91Å; D243-T246 WeakPolarHBondContact CA-OG1 3.28Å; D243-T246 PolarHBondContact O-N 3.11Å; D243-T246 PolarHBondContact O-OG1 3.02Å; T246-Y249 PolarHBondContact O-N 2.92Å; T246-N250 WeakPolarHBondContact O-CB 3.43Å; T246-N250 PolarHBondContact O-N 2.71Å; T246-N250 PolarHBondContact O-ND2 3.42Å; T246-N250 VanDerWaalsContact O-ND2 3.13Å
247	H	65.9	Low	64.5	Low	99 Å²	99	84.1 Å²	84.1	46%	0.458	43%	0.429	S	S	.	.	H	α-helix	trans	-59.5	-49.9	172.1	-172.9	-108.8	0	0	0	112.1	E149 D243 R245 Y249 N250 L251	E149-H247 IonicContact OE1-ND1 2.73Å; D243-H247 WeakPolarHBondContact O-CB 3.45Å; D243-H247 PolarHBondContact O-N 3.44Å; R245-H247 VanDerWaalsContact C-N 3.32Å; R245-H247 PolarHBondContact O-N 2.75Å; H247-Y249 PolarHBondContact O-N 3.39Å; H247-N250 PolarHBondContact O-N 3.49Å; H247-L251 WeakPolarHBondContact O-CG 3.38Å; H247-L251 PolarHBondContact O-N 2.95Å
248	L	66.3	Low	65.9	Low	46 Å²	46	78 Å²	78	24%	0.241	40%	0.396	C	S	.	.	H	α-helix	trans	-62.4	-43	178.2	-174.3	65.4	0	0	0	112.4	N244 R245 N250 L251 V252	N244-L248 WeakPolarHBondContact O-CB 3.19Å; N244-L248 PolarHBondContact O-N 2.85Å; R245-L248 PolarHBondContact O-N 3.49Å; L248-N250 PolarHBondContact O-N 2.88Å; L248-L251 WeakPolarHBondContact O-CB 3.31Å; L248-L251 PolarHBondContact O-N 2.91Å; L248-V252 VanDerWaalsContact O-CG2 3.32Å; L248-V252 WeakPolarHBondContact O-CG2 3.27Å; L248-V252 PolarHBondContact O-N 3.43Å
249	Y	65.9	Low	67.1	Low	126 Å²	126	73.4 Å²	73.4	49%	0.494	37%	0.371	S	S	.	.	H	α-helix	trans	-60.8	-43.8	175.3	-77.5	-59.5	0	0	0	112.1	R245 T246 H247 L251 V252 D253	R245-Y249 HydrophobicContact CB-CD2 4.48Å; R245-Y249 HydrophobicContact CB-CE2 4.36Å; R245-Y249 WeakPolarHBondContact O-CD2 3.34Å; R245-Y249 PolarHBondContact O-N 3.07Å; T246-Y249 PolarHBondContact O-N 2.92Å; H247-Y249 PolarHBondContact O-N 3.39Å; Y249-L251 VanDerWaalsContact C-N 3.33Å; Y249-L251 PolarHBondContact O-N 3.31Å; Y249-V252 PolarHBondContact O-N 2.88Å; Y249-D253 PolarHBondContact O-N 3.19Å
250	N	70.8	Confident	68.1	Low	99 Å²	99	66.9 Å²	66.9	53%	0.529	34%	0.337	S	S	.	.	H	α-helix	trans	-62	-39	175.9	-70	-28	0	0	0	112.1	T246 H247 L248 D253 I254	T246-N250 WeakPolarHBondContact O-CB 3.43Å; T246-N250 PolarHBondContact O-N 2.71Å; T246-N250 PolarHBondContact O-ND2 3.42Å; T246-N250 VanDerWaalsContact O-ND2 3.13Å; H247-N250 PolarHBondContact O-N 3.49Å; L248-N250 PolarHBondContact O-N 2.88Å; N250-D253 PolarHBondContact O-N 3.42Å; N250-I254 WeakPolarHBondContact O-CD1 3.23Å; N250-I254 VanDerWaalsContact O-CG1 3.23Å; N250-I254 WeakPolarHBondContact O-CG1 3.35Å; N250-I254 PolarHBondContact O-N 3.48Å
251	L	71.1	Confident	69.2	Low	20 Å²	20	61.3 Å²	61.3	11%	0.105	30%	0.303	C	S	.	.	H	α-helix	trans	-63.8	-44.3	174.2	-75.1	169.2	0	0	0	112.2	V142 V145 H247 L248 Y249 D253 I254 S255	V142-L251 HydrophobicContact CG1-CD2 4.01Å; V145-L251 HydrophobicContact CB-CD1 4.44Å; V145-L251 HydrophobicContact CG1-CD1 3.76Å; H247-L251 WeakPolarHBondContact O-CG 3.38Å; H247-L251 PolarHBondContact O-N 2.95Å; L248-L251 WeakPolarHBondContact O-CB 3.31Å; L248-L251 PolarHBondContact O-N 2.91Å; Y249-L251 VanDerWaalsContact C-N 3.33Å; Y249-L251 PolarHBondContact O-N 3.31Å; L251-D253 VanDerWaalsContact C-N 3.32Å; L251-D253 PolarHBondContact O-N 3.27Å; L251-I254 PolarHBondContact O-N 2.91Å; L251-S255 WeakPolarHBondContact O-CB 3.49Å; L251-S255 PolarHBondContact O-N 3.38Å
252	V	69.8	Low	70.8	Confident	36 Å²	36	56.9 Å²	56.9	22%	0.218	28%	0.28	C	S	.	.	H	α-helix	trans	-60.9	-40.4	177.6	170.3	0	0	0	0	111.4	E146 L248 Y249 S255 F256	E146-V252 HydrophobicContact CG-CG2 4.03Å; L248-V252 VanDerWaalsContact O-CG2 3.32Å; L248-V252 WeakPolarHBondContact O-CG2 3.27Å; L248-V252 PolarHBondContact O-N 3.43Å; Y249-V252 PolarHBondContact O-N 2.88Å; V252-S255 WeakPolarHBondContact O-CB 3.48Å; V252-F256 WeakPolarHBondContact O-CB 3.44Å; V252-F256 PolarHBondContact O-N 3.4Å
253	D	68.7	Low	72.3	Confident	49 Å²	49	51.7 Å²	51.7	26%	0.262	25%	0.253	S	S	.	.	H	α-helix	trans	-67.3	-47.9	175.5	-86.8	-10	0	0	0	111.9	Y249 N250 L251 S255 F256 Y257	Y249-D253 PolarHBondContact O-N 3.19Å; N250-D253 PolarHBondContact O-N 3.42Å; L251-D253 VanDerWaalsContact C-N 3.32Å; L251-D253 PolarHBondContact O-N 3.27Å; D253-S255 VanDerWaalsContact C-N 3.31Å; D253-S255 PolarHBondContact O-N 2.91Å; D253-F256 CarbonylContact O-C 3.59Å; D253-F256 WeakPolarHBondContact O-CA 3.48Å; D253-F256 PolarHBondContact O-N 3.09Å; D253-Y257 HydrophobicContact CB-CD2 4.48Å; D253-Y257 HydrophobicContact CB-CE2 4.22Å; D253-Y257 WeakPolarHBondContact O-CD2 3.36Å; D253-Y257 PolarHBondContact O-N 2.97Å
254	I	74.6	Confident	73.4	Confident	82 Å²	82	46.5 Å²	46.5	42%	0.421	23%	0.225	S	C	.	.	H	α-helix	trans	-58.7	-44.1	176.7	-66.8	163.1	0	0	0	110.8	V142 N250 L251 F256 Y257 L258	V142-I254 HydrophobicContact CG1-CB 4.3Å; V142-I254 HydrophobicContact CG1-CG2 4.07Å; V142-I254 HydrophobicContact CG2-CG2 3.95Å; N250-I254 WeakPolarHBondContact O-CD1 3.23Å; N250-I254 VanDerWaalsContact O-CG1 3.23Å; N250-I254 WeakPolarHBondContact O-CG1 3.35Å; N250-I254 PolarHBondContact O-N 3.48Å; L251-I254 PolarHBondContact O-N 2.91Å; I254-F256 VanDerWaalsContact C-N 3.35Å; I254-F256 PolarHBondContact O-N 2.91Å; I254-Y257 PolarHBondContact O-N 2.8Å; I254-L258 HydrophobicContact CG2-CD1 3.91Å; I254-L258 WeakPolarHBondContact O-CG 3.24Å; I254-L258 PolarHBondContact O-N 3.42Å; I254-L258 VanDerWaalsContact O-N 3.08Å
255	S	76.4	Confident	74.9	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.007	20%	0.198	C	C	.	.	H	α-helix	trans	-53	-50.9	171.3	174.6	0	0	0	0	110.8	E146 K215 L251 V252 D253 Y257 L258 L259	E146-S255 WeakPolarHBondContact OE2-CB 3.28Å; E146-S255 PolarHBondContact OE2-OG 2.65Å; K215-S255 PolarHBondContact NZ-OG 3.44Å; L251-S255 WeakPolarHBondContact O-CB 3.49Å; L251-S255 PolarHBondContact O-N 3.38Å; V252-S255 WeakPolarHBondContact O-CB 3.48Å; D253-S255 VanDerWaalsContact C-N 3.31Å; D253-S255 PolarHBondContact O-N 2.91Å; S255-Y257 PolarHBondContact O-N 3.05Å; S255-L258 PolarHBondContact O-N 3.46Å; S255-L258 VanDerWaalsContact O-N 3.15Å; S255-L259 WeakPolarHBondContact O-CD1 3.48Å; S255-L259 PolarHBondContact O-N 3.08Å
256	F	74.8	Confident	76.3	Confident	13 Å²	13	34.5 Å²	34.5	6%	0.057	17%	0.172	C	C	.	.	H	α-helix	trans	-67.8	-28.1	179.9	-169	-129.3	0	0	0	114.7	K215 T216 V252 D253 I254 K492	K215-F256 HydrophobicContact CB-CD2 3.96Å; K215-F256 HydrophobicContact CB-CE2 3.7Å; K215-F256 HydrophobicContact CD-CD2 4.03Å; T216-F256 WeakPolarHBondContact OG1-CZ 3.22Å; V252-F256 WeakPolarHBondContact O-CB 3.44Å; V252-F256 PolarHBondContact O-N 3.4Å; D253-F256 CarbonylContact O-C 3.59Å; D253-F256 WeakPolarHBondContact O-CA 3.48Å; D253-F256 PolarHBondContact O-N 3.09Å; I254-F256 VanDerWaalsContact C-N 3.35Å; I254-F256 PolarHBondContact O-N 2.91Å; F256-K492 HydrophobicContact CD1-CD 3.87Å; F256-K492 VanDerWaalsContact CD1-NZ 3.28Å; F256-K492 VanDerWaalsContact CD2-NZ 3.26Å; F256-K492 HydrophobicContact CE1-CD 3.52Å; F256-K492 HydrophobicContact CE1-CG 4.23Å; F256-K492 VanDerWaalsContact CG-NZ 3.31Å; F256-K492 HydrophobicContact CZ-CD 4.07Å; F256-K492 PolarHBondContact O-NZ 3.2Å
257	Y	74.7	Confident	77.3	Confident	40 Å²	40	32.9 Å²	32.9	16%	0.157	16%	0.16	C	C	.	.	H	α-helix	trans	-74.6	-27.8	171.3	-74.2	-62.7	0	0	0	113.3	D253 I254 S255 P260 V331 F489 S493	D253-Y257 HydrophobicContact CB-CD2 4.48Å; D253-Y257 HydrophobicContact CB-CE2 4.22Å; D253-Y257 WeakPolarHBondContact O-CD2 3.36Å; D253-Y257 PolarHBondContact O-N 2.97Å; I254-Y257 PolarHBondContact O-N 2.8Å; S255-Y257 PolarHBondContact O-N 3.05Å; Y257-P260 VanDerWaalsContact O-CD 3.28Å; Y257-P260 WeakPolarHBondContact O-CD 3.21Å; Y257-V331 HydrophobicContact CE1-CG1 4.22Å; Y257-V331 HydrophobicContact CE1-CG2 4.31Å; Y257-V331 HydrophobicContact CE2-CG1 3.92Å; Y257-F489 VanDerWaalsContact CE1-O 3.24Å; Y257-F489 WeakPolarHBondContact CE1-O 3.22Å; Y257-F489 VanDerWaalsContact O-CE1 3.31Å; Y257-F489 WeakPolarHBondContact O-CE1 3.48Å; Y257-S493 VanDerWaalsContact OH-CB 3.28Å; Y257-S493 WeakPolarHBondContact OH-CB 3.44Å; Y257-S493 PolarHBondContact OH-OG 2.59Å
258	L	81.3	Confident	78.1	Confident	30 Å²	30	28.4 Å²	28.4	16%	0.157	14%	0.14	C	C	.	.	H	α-helix	trans	-87.4	-19.4	-179.2	-65.1	168.4	0	0	0	113.8	M135 H139 V142 I254 S255 P260 T261	M135-L258 HydrophobicContact CG-CD2 3.77Å; M135-L258 HydrophobicContact SD-CD2 4.46Å; H139-L258 HydrophobicContact CB-CB 3.8Å; H139-L258 HydrophobicContact CB-CD1 4.37Å; V142-L258 HydrophobicContact CG2-CD1 4.41Å; I254-L258 HydrophobicContact CG2-CD1 3.91Å; I254-L258 WeakPolarHBondContact O-CG 3.24Å; I254-L258 PolarHBondContact O-N 3.42Å; I254-L258 VanDerWaalsContact O-N 3.08Å; S255-L258 PolarHBondContact O-N 3.46Å; S255-L258 VanDerWaalsContact O-N 3.15Å; L258-P260 VanDerWaalsContact C-N 3.35Å; L258-T261 WeakPolarHBondContact O-CB 3.33Å; L258-T261 PolarHBondContact O-N 2.95Å; L258-T261 PolarHBondContact O-OG1 3.4Å
259	L	77.8	Confident	79.3	Confident	13 Å²	13	26.2 Å²	26.2	7%	0.068	13%	0.128	C	C	.	.	H	α-helix	trans	-47.4	-40.5	176.3	-104.6	80.3	0	0	0	115.7	H139 I208 K212 S255 T261 V262 S263	H139-L259 VanDerWaalsContact NE2-CD1 3.33Å; H139-L259 WeakPolarHBondContact NE2-CD1 3.49Å; I208-L259 HydrophobicContact CG2-CD2 4.28Å; I208-L259 HydrophobicContact CG2-CG 4.2Å; K212-L259 HydrophobicContact CG-CB 4.33Å; K212-L259 HydrophobicContact CG-CD2 3.73Å; S255-L259 WeakPolarHBondContact O-CD1 3.48Å; S255-L259 PolarHBondContact O-N 3.08Å; L259-T261 VanDerWaalsContact C-N 3.27Å; L259-T261 PolarHBondContact O-N 3.3Å; L259-V262 PolarHBondContact O-N 3.31Å; L259-S263 PolarHBondContact O-N 3.02Å; L259-S263 PolarHBondContact O-OG 2.95Å
260	P	77.7	Confident	80.4	Confident	3 Å²	3	20.6 Å²	20.6	2%	0.019	11%	0.108	C	C	.	.	H	α-helix	trans	-57.9	-37.8	174.8	-25.1	35.5	0	0	0	113.3	Y257 L258 V262 S263 E264	Y257-P260 VanDerWaalsContact O-CD 3.28Å; Y257-P260 WeakPolarHBondContact O-CD 3.21Å; L258-P260 VanDerWaalsContact C-N 3.35Å; P260-V262 VanDerWaalsContact C-N 3.31Å; P260-V262 PolarHBondContact O-N 3.43Å; P260-S263 WeakPolarHBondContact CA-OG 3.37Å; P260-S263 PolarHBondContact O-N 3.02Å; P260-S263 PolarHBondContact O-OG 3.11Å; P260-E264 PolarHBondContact O-N 3.08Å
261	T	82.9	Confident	80.9	Confident	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-68.2	-33.4	-172.9	76.5	0	0	0	0	112	M135 L258 L259 Y265 F489	M135-T261 HydrophobicContact CE-CG2 3.61Å; M135-T261 HydrophobicContact CG-CG2 3.8Å; M135-T261 HydrophobicContact SD-CG2 3.9Å; L258-T261 WeakPolarHBondContact O-CB 3.33Å; L258-T261 PolarHBondContact O-N 2.95Å; L258-T261 PolarHBondContact O-OG1 3.4Å; L259-T261 VanDerWaalsContact C-N 3.27Å; L259-T261 PolarHBondContact O-N 3.3Å; T261-Y265 PolarHBondContact O-N 3.43Å; T261-F489 HydrophobicContact CG2-CE1 4.41Å; T261-F489 HydrophobicContact CG2-CZ 4.05Å
262	V	88.9	Confident	81.5	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-71.2	-41.8	174.5	-161.9	0	0	0	0	111.4	S136 H139 Y168 I208 L259 P260 E264 Y265 C266	S136-V262 WeakPolarHBondContact OG-CA 3.15Å; H139-V262 HydrophobicContact CB-CG2 3.9Å; Y168-V262 HydrophobicContact CE1-CG1 4.13Å; Y168-V262 WeakPolarHBondContact OH-CG1 3.33Å; I208-V262 HydrophobicContact CD1-CB 3.69Å; I208-V262 HydrophobicContact CD1-CG1 3.34Å; L259-V262 PolarHBondContact O-N 3.31Å; P260-V262 VanDerWaalsContact C-N 3.31Å; P260-V262 PolarHBondContact O-N 3.43Å; V262-E264 PolarHBondContact O-N 2.72Å; V262-Y265 WeakPolarHBondContact O-CB 3.41Å; V262-Y265 PolarHBondContact O-N 3.08Å; V262-C266 PolarHBondContact O-N 3.26Å; V262-C266 PolarHBondContact O-SG 2.96Å; V262-C266 VanDerWaalsContact O-SG 3.34Å
263	S	86.4	Confident	82.4	Confident	3 Å²	3	15.8 Å²	15.8	2%	0.021	9%	0.088	C	C	.	.	H	α-helix	trans	-63.8	-39.3	176.9	49.5	0	0	0	0	113	K212 L259 P260 C266 L267	K212-S263 PolarHBondContact NZ-OG 3.3Å; L259-S263 PolarHBondContact O-N 3.02Å; L259-S263 PolarHBondContact O-OG 2.95Å; P260-S263 WeakPolarHBondContact CA-OG 3.37Å; P260-S263 PolarHBondContact O-N 3.02Å; P260-S263 PolarHBondContact O-OG 3.11Å; S263-C266 PolarHBondContact O-N 3.48Å; S263-L267 WeakPolarHBondContact O-CG 3.39Å; S263-L267 PolarHBondContact O-N 3.42Å; S263-L267 VanDerWaalsContact O-N 3.15Å
264	E	81.6	Confident	83.2	Confident	3 Å²	3	17.4 Å²	17.4	1%	0.014	9%	0.091	C	C	.	.	H	α-helix	trans	-69	-38.2	174.4	-59	-56	170.1	0	0	111.7	F132 P260 V262 C266 L267 L268 W484	F132-E264 HydrophobicContact CD2-CB 3.97Å; F132-E264 HydrophobicContact CE1-CB 4.44Å; F132-E264 HydrophobicContact CE2-CB 3.81Å; F132-E264 HydrophobicContact CG-CB 4.36Å; F132-E264 HydrophobicContact CZ-CB 4.06Å; F132-E264 HydrophobicContact CZ-CG 4.38Å; P260-E264 PolarHBondContact O-N 3.08Å; V262-E264 PolarHBondContact O-N 2.72Å; E264-C266 VanDerWaalsContact C-N 3.34Å; E264-C266 PolarHBondContact O-N 3.01Å; E264-L267 PolarHBondContact O-N 3.46Å; E264-L268 WeakPolarHBondContact O-CB 3.42Å; E264-L268 PolarHBondContact O-N 3.25Å; E264-W484 HydrophobicContact CG-CZ2 3.6Å; E264-W484 PolarHBondContact OE1-NE1 2.91Å
265	Y	90.9	Very high	83.2	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-55.1	-50.1	173.2	177.8	-93.1	0	0	0	111.5	L129 F132 G133 Y168 Q171 T172 T261 V262 L268 A269	L129-Y265 HydrophobicContact CD1-CD2 3.85Å; L129-Y265 HydrophobicContact CD1-CE2 3.45Å; L129-Y265 VanDerWaalsContact CD1-CE2 3.45Å; L129-Y265 HydrophobicContact CG-CE2 3.96Å; F132-Y265 HydrophobicContact CB-CD2 4.23Å; G133-Y265 VanDerWaalsContact CA-CD2 3.46Å; G133-Y265 VanDerWaalsContact N-CD2 3.33Å; Y168-Y265 AromaticContact CD1-CD1 3.59Å; Y168-Y265 HydrophobicContact CD1-CD1 3.59Å; Y168-Y265 AromaticContact CD1-CE1 3.45Å; Y168-Y265 HydrophobicContact CD1-CE1 3.45Å; Y168-Y265 VanDerWaalsContact CD1-CE1 3.45Å; Y168-Y265 HydrophobicContact CD1-CG 4.33Å; Y168-Y265 AromaticContact CE1-CD1 3.57Å; Y168-Y265 HydrophobicContact CE1-CD1 3.57Å; Y168-Y265 AromaticContact CE1-CE1 3.78Å; Y168-Y265 HydrophobicContact CE1-CE1 3.78Å; Y168-Y265 HydrophobicContact CE1-CG 4.45Å; Q171-Y265 VanDerWaalsContact NE2-CE1 3.28Å; Q171-Y265 PolarHBondContact NE2-OH 3.23Å; T172-Y265 PolarHBondContact N-OH 3.27Å; T172-Y265 VanDerWaalsContact OG1-CE2 3.22Å; T172-Y265 WeakPolarHBondContact OG1-CE2 3.48Å; T172-Y265 PolarHBondContact OG1-OH 2.88Å; T261-Y265 PolarHBondContact O-N 3.43Å; V262-Y265 WeakPolarHBondContact O-CB 3.41Å; V262-Y265 PolarHBondContact O-N 3.08Å; Y265-L268 PolarHBondContact O-N 3.23Å; Y265-A269 HydrophobicContact CE1-CB 4.14Å; Y265-A269 VanDerWaalsContact O-CB 3.24Å; Y265-A269 WeakPolarHBondContact O-CB 3.46Å; Y265-A269 PolarHBondContact O-N 3.48Å
266	C	91.9	Very high	83.4	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.9	-44.2	-177.1	-70	0	0	0	0	112.4	N201 I204 W205 V262 S263 E264 A269 A270	N201-C266 HydrophobicContact CB-CB 4.29Å; N201-C266 WeakPolarHBondContact CB-O 3.48Å; N201-C266 WeakPolarHBondContact O-CB 3.18Å; I204-C266 VanDerWaalsContact CG2-SG 3.54Å; W205-C266 HydrophobicContact CB-CB 3.99Å; V262-C266 PolarHBondContact O-N 3.26Å; V262-C266 PolarHBondContact O-SG 2.96Å; V262-C266 VanDerWaalsContact O-SG 3.34Å; S263-C266 PolarHBondContact O-N 3.48Å; E264-C266 VanDerWaalsContact C-N 3.34Å; E264-C266 PolarHBondContact O-N 3.01Å; C266-A269 PolarHBondContact O-N 2.93Å; C266-A270 VanDerWaalsContact O-CB 3.28Å; C266-A270 WeakPolarHBondContact O-CB 3.13Å; C266-A270 PolarHBondContact O-N 2.91Å
267	L	84.7	Confident	83.7	Confident	27 Å²	27	16.1 Å²	16.1	14%	0.141	8%	0.084	C	C	.	.	H	α-helix	trans	-62.7	-44.7	175.7	-72.9	165.7	0	0	0	112	W205 S263 E264 A270 A271 F521	W205-L267 VanDerWaalsContact CD1-CG 3.46Å; W205-L267 HydrophobicContact CD2-CD2 4.17Å; W205-L267 HydrophobicContact CG-CD2 4.08Å; W205-L267 HydrophobicContact CG-CG 4.03Å; S263-L267 WeakPolarHBondContact O-CG 3.39Å; S263-L267 PolarHBondContact O-N 3.42Å; S263-L267 VanDerWaalsContact O-N 3.15Å; E264-L267 PolarHBondContact O-N 3.46Å; L267-A270 PolarHBondContact O-N 3.32Å; L267-A271 WeakPolarHBondContact O-CB 3.26Å; L267-A271 PolarHBondContact O-N 3.46Å; L267-F521 HydrophobicContact CD1-CB 4.23Å; L267-F521 HydrophobicContact CD1-CD2 3.56Å; L267-F521 HydrophobicContact CD1-CE2 4.14Å; L267-F521 HydrophobicContact CD1-CG 3.99Å
268	L	83.4	Confident	83.6	Confident	5 Å²	5	16.8 Å²	16.8	3%	0.026	9%	0.089	C	C	.	.	H	α-helix	trans	-64.9	-42.3	179	-178.1	59.3	0	0	0	112.1	L125 L129 F132 E264 Y265 L272 Y524	L125-L268 HydrophobicContact CD1-CD1 3.32Å; L125-L268 HydrophobicContact CG-CD1 3.64Å; L129-L268 HydrophobicContact CB-CD2 3.96Å; L129-L268 HydrophobicContact CB-CG 4.39Å; L129-L268 HydrophobicContact CD1-CD2 4.3Å; L129-L268 HydrophobicContact CD1-CG 4.14Å; L129-L268 VanDerWaalsContact N-CD2 3.29Å; F132-L268 HydrophobicContact CD2-CD2 3.96Å; F132-L268 HydrophobicContact CE2-CD2 4.43Å; E264-L268 WeakPolarHBondContact O-CB 3.42Å; E264-L268 PolarHBondContact O-N 3.25Å; Y265-L268 PolarHBondContact O-N 3.23Å; L268-L272 HydrophobicContact CD1-CD1 4.28Å; L268-L272 HydrophobicContact CG-CD1 4.22Å; L268-L272 WeakPolarHBondContact O-CB 3.19Å; L268-L272 VanDerWaalsContact O-CG 3.23Å; L268-L272 WeakPolarHBondContact O-CG 3.28Å; L268-L272 PolarHBondContact O-N 2.87Å; L268-Y524 HydrophobicContact CD1-CE1 4.36Å
269	A	90.9	Very high	83	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.9	-44.2	173.8	0	0	0	0	0	111.5	L129 I175 N201 Y265 C266 A271 L272 L273	L129-A269 HydrophobicContact CD1-CB 4.03Å; I175-A269 HydrophobicContact CD1-CB 4.12Å; N201-A269 WeakPolarHBondContact OD1-CB 3.19Å; Y265-A269 HydrophobicContact CE1-CB 4.14Å; Y265-A269 VanDerWaalsContact O-CB 3.24Å; Y265-A269 WeakPolarHBondContact O-CB 3.46Å; Y265-A269 PolarHBondContact O-N 3.48Å; C266-A269 PolarHBondContact O-N 2.93Å; A269-A271 PolarHBondContact O-N 3.14Å; A269-L272 PolarHBondContact O-N 3.42Å; A269-L273 VanDerWaalsContact O-CB 3.3Å; A269-L273 WeakPolarHBondContact O-CB 3.44Å; A269-L273 WeakPolarHBondContact O-CD1 3.48Å; A269-L273 WeakPolarHBondContact O-CG 3.24Å; A269-L273 PolarHBondContact O-N 3.12Å
270	A	89.2	Confident	82.6	Confident	9 Å²	9	16.5 Å²	16.5	7%	0.074	9%	0.087	C	C	.	.	H	α-helix	trans	-60.9	-43	176.8	0	0	0	0	0	112.2	L198 N201 L202 C266 L267 L273 Y274	L198-A270 HydrophobicContact CG-CB 4.48Å; N201-A270 HydrophobicContact CB-CB 4.12Å; L202-A270 HydrophobicContact CD2-CB 4.15Å; L202-A270 HydrophobicContact CG-CB 4.42Å; C266-A270 VanDerWaalsContact O-CB 3.28Å; C266-A270 WeakPolarHBondContact O-CB 3.13Å; C266-A270 PolarHBondContact O-N 2.91Å; L267-A270 PolarHBondContact O-N 3.32Å; A270-L273 PolarHBondContact O-N 2.92Å; A270-Y274 WeakPolarHBondContact O-CB 3.22Å; A270-Y274 PolarHBondContact O-N 2.95Å
271	A	81.1	Confident	81.6	Confident	49 Å²	49	17.8 Å²	17.8	41%	0.405	10%	0.1	S	C	.	.	H	α-helix	trans	-63.8	-44	175.4	0	0	0	0	0	112.4	L267 A269 Y274 E275	L267-A271 WeakPolarHBondContact O-CB 3.26Å; L267-A271 PolarHBondContact O-N 3.46Å; A269-A271 PolarHBondContact O-N 3.14Å; A271-Y274 WeakPolarHBondContact O-CB 3.23Å; A271-Y274 PolarHBondContact O-N 3.05Å; A271-E275 PolarHBondContact O-N 3.21Å
272	L	84.2	Confident	80.5	Confident	4 Å²	4	18.4 Å²	18.4	2%	0.021	10%	0.103	C	C	.	.	H	α-helix	trans	-66.6	-37.9	176.8	-72.9	171.5	0	0	0	112.6	V121 L125 L129 I175 L268 A269 E275 I276	V121-L272 HydrophobicContact CG1-CD2 3.28Å; L125-L272 HydrophobicContact CD2-CD2 3.64Å; L125-L272 HydrophobicContact CD2-CG 4.38Å; L125-L272 HydrophobicContact CG-CD2 4.14Å; L129-L272 HydrophobicContact CB-CD1 4.28Å; L129-L272 HydrophobicContact CD1-CD1 4.21Å; L129-L272 HydrophobicContact CD2-CD1 3.89Å; L129-L272 HydrophobicContact CG-CD1 4.35Å; I175-L272 HydrophobicContact CG2-CB 3.94Å; I175-L272 HydrophobicContact CG2-CD1 3.9Å; I175-L272 HydrophobicContact CG2-CG 4.44Å; L268-L272 HydrophobicContact CD1-CD1 4.28Å; L268-L272 HydrophobicContact CG-CD1 4.22Å; L268-L272 WeakPolarHBondContact O-CB 3.19Å; L268-L272 VanDerWaalsContact O-CG 3.23Å; L268-L272 WeakPolarHBondContact O-CG 3.28Å; L268-L272 PolarHBondContact O-N 2.87Å; A269-L272 PolarHBondContact O-N 3.42Å; L272-E275 PolarHBondContact O-N 2.9Å; L272-I276 VanDerWaalsContact O-CG1 3.3Å; L272-I276 WeakPolarHBondContact O-CG1 3.39Å; L272-I276 PolarHBondContact O-N 3.44Å; L272-I276 VanDerWaalsContact O-N 3.09Å
273	L	89.1	Confident	78.5	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.8	-39.9	173.1	-72.7	163.7	0	0	0	111	I175 L194 L197 L198 A269 A270 I276 I277	I175-L273 HydrophobicContact CD1-CD1 4.42Å; I175-L273 HydrophobicContact CD1-CD2 4.28Å; I175-L273 HydrophobicContact CD1-CG 4.01Å; I175-L273 HydrophobicContact CG1-CD2 4.3Å; L194-L273 HydrophobicContact CD2-CD2 3.76Å; L197-L273 HydrophobicContact CB-CD1 3.87Å; L197-L273 HydrophobicContact CB-CD2 4.29Å; L197-L273 HydrophobicContact CD2-CD2 4.15Å; L198-L273 HydrophobicContact CB-CB 4.21Å; A269-L273 VanDerWaalsContact O-CB 3.3Å; A269-L273 WeakPolarHBondContact O-CB 3.44Å; A269-L273 WeakPolarHBondContact O-CD1 3.48Å; A269-L273 WeakPolarHBondContact O-CG 3.24Å; A269-L273 PolarHBondContact O-N 3.12Å; A270-L273 PolarHBondContact O-N 2.92Å; L273-I276 PolarHBondContact O-N 3.13Å; L273-I276 VanDerWaalsContact O-N 3.17Å; L273-I277 WeakPolarHBondContact O-CD1 3.36Å; L273-I277 WeakPolarHBondContact O-CG1 3.41Å; L273-I277 PolarHBondContact O-N 3.1Å
274	Y	83.9	Confident	76.7	Confident	84 Å²	84	22.1 Å²	22.1	33%	0.329	13%	0.127	S	C	.	.	H	α-helix	trans	-59.8	-46.6	174.1	-178.9	-96.2	0	0	0	111.6	L198 A270 A271 I276 I277 M278	L198-Y274 HydrophobicContact CD1-CD2 4.32Å; A270-Y274 WeakPolarHBondContact O-CB 3.22Å; A270-Y274 PolarHBondContact O-N 2.95Å; A271-Y274 WeakPolarHBondContact O-CB 3.23Å; A271-Y274 PolarHBondContact O-N 3.05Å; Y274-I276 VanDerWaalsContact C-N 3.3Å; Y274-I276 PolarHBondContact O-N 3.18Å; Y274-I277 PolarHBondContact O-N 3.39Å; Y274-M278 HydrophobicContact CD1-CG 4.06Å; Y274-M278 HydrophobicContact CD2-CE 4.44Å; Y274-M278 HydrophobicContact CE1-CG 3.64Å; Y274-M278 HydrophobicContact CE1-SD 4.41Å; Y274-M278 HydrophobicContact CE2-CE 3.87Å; Y274-M278 HydrophobicContact CE2-CG 4.14Å; Y274-M278 HydrophobicContact CE2-SD 4.23Å; Y274-M278 HydrophobicContact CG-CG 4.47Å; Y274-M278 WeakPolarHBondContact O-CG 3.36Å; Y274-M278 PolarHBondContact O-N 3.31Å
275	E	76.2	Confident	75.2	Confident	28 Å²	28	22.6 Å²	22.6	13%	0.131	13%	0.129	C	C	.	.	H	α-helix	trans	-56.4	-42.5	172.8	-86.5	-162.4	-126.1	0	0	112.4	A271 L272 R279	A271-E275 PolarHBondContact O-N 3.21Å; L272-E275 PolarHBondContact O-N 2.9Å; E275-R279 VanDerWaalsContact O-CD 3.26Å; E275-R279 WeakPolarHBondContact O-CD 3.4Å; E275-R279 WeakPolarHBondContact O-CG 3.48Å; E275-R279 PolarHBondContact O-N 3.33Å; E275-R279 PolarHBondContact O-NE 2.59Å; E275-R279 IonicContact OE2-CZ 3.31Å; E275-R279 IonicContact OE2-NE 2.64Å; E275-R279 IonicContact OE2-NH2 2.89Å; E275-R279 PolarHBondContact OE2-NH2 2.95Å
276	I	80	Confident	73.2	Confident	14 Å²	14	23.6 Å²	23.6	7%	0.072	13%	0.134	C	C	.	.	H	α-helix	trans	-66.8	-45.5	178	-66.9	164.3	0	0	0	110.6	L194 L272 L273 Y274 M278 R279 I280	L194-I276 HydrophobicContact CD1-CG2 4.01Å; L272-I276 VanDerWaalsContact O-CG1 3.3Å; L272-I276 WeakPolarHBondContact O-CG1 3.39Å; L272-I276 PolarHBondContact O-N 3.44Å; L272-I276 VanDerWaalsContact O-N 3.09Å; L273-I276 PolarHBondContact O-N 3.13Å; L273-I276 VanDerWaalsContact O-N 3.17Å; Y274-I276 VanDerWaalsContact C-N 3.3Å; Y274-I276 PolarHBondContact O-N 3.18Å; I276-M278 VanDerWaalsContact C-N 3.35Å; I276-M278 PolarHBondContact O-N 3.44Å; I276-R279 PolarHBondContact O-N 3.47Å; I276-R279 VanDerWaalsContact O-N 3.13Å; I276-I280 PolarHBondContact O-N 3.23Å
277	I	81.3	Confident	70.9	Confident	26 Å²	26	26.1 Å²	26.1	13%	0.133	15%	0.146	C	C	.	.	H	α-helix	trans	-60.3	-43.3	178.9	-66.1	157.9	0	0	0	111	L194 V195 L198 L273 Y274 R279 I280	L194-I277 HydrophobicContact CB-CD1 4.05Å; L194-I277 HydrophobicContact CB-CG1 3.58Å; V195-I277 HydrophobicContact CG2-CD1 4.12Å; V195-I277 HydrophobicContact CG2-CG2 4.44Å; L198-I277 HydrophobicContact CB-CD1 4.15Å; L198-I277 HydrophobicContact CD1-CD1 3.81Å; L273-I277 WeakPolarHBondContact O-CD1 3.36Å; L273-I277 WeakPolarHBondContact O-CG1 3.41Å; L273-I277 PolarHBondContact O-N 3.1Å; Y274-I277 PolarHBondContact O-N 3.39Å; I277-R279 PolarHBondContact O-N 3.4Å; I277-I280 WeakPolarHBondContact O-CB 3.32Å; I277-I280 WeakPolarHBondContact O-CG1 3.49Å; I277-I280 PolarHBondContact O-N 3.15Å
278	M	72.9	Confident	69	Low	54 Å²	54	30.1 Å²	30.1	27%	0.266	17%	0.166	S	C	.	.	H	α-helix	trans	-65.5	-21.4	178.7	-70.2	-62.5	107.8	0	0	113.5	Y274 I276 R381	Y274-M278 HydrophobicContact CD1-CG 4.06Å; Y274-M278 HydrophobicContact CD2-CE 4.44Å; Y274-M278 HydrophobicContact CE1-CG 3.64Å; Y274-M278 HydrophobicContact CE1-SD 4.41Å; Y274-M278 HydrophobicContact CE2-CE 3.87Å; Y274-M278 HydrophobicContact CE2-CG 4.14Å; Y274-M278 HydrophobicContact CE2-SD 4.23Å; Y274-M278 HydrophobicContact CG-CG 4.47Å; Y274-M278 WeakPolarHBondContact O-CG 3.36Å; Y274-M278 PolarHBondContact O-N 3.31Å; I276-M278 VanDerWaalsContact C-N 3.35Å; I276-M278 PolarHBondContact O-N 3.44Å; M278-R381 PolarHBondContact SD-NH2 2.86Å
279	R	68.2	Low	66.7	Low	21 Å²	21	35.9 Å²	35.9	8%	0.079	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-8.2	176.9	-64.2	162.8	-169.3	-131.9	7.2	113.3	E119 E275 I276 I277	E119-R279 PolarHBondContact O-NH1 2.81Å; E119-R279 PolarHBondContact O-NH2 2.67Å; E119-R279 VanDerWaalsContact O-NH2 3.11Å; E275-R279 VanDerWaalsContact O-CD 3.26Å; E275-R279 WeakPolarHBondContact O-CD 3.4Å; E275-R279 WeakPolarHBondContact O-CG 3.48Å; E275-R279 PolarHBondContact O-N 3.33Å; E275-R279 PolarHBondContact O-NE 2.59Å; E275-R279 IonicContact OE2-CZ 3.31Å; E275-R279 IonicContact OE2-NE 2.64Å; E275-R279 IonicContact OE2-NH2 2.89Å; E275-R279 PolarHBondContact OE2-NH2 2.95Å; I276-R279 PolarHBondContact O-N 3.47Å; I276-R279 VanDerWaalsContact O-N 3.13Å; I277-R279 PolarHBondContact O-N 3.4Å
280	I	69.6	Low	64	Low	17 Å²	17	42 Å²	42	9%	0.087	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	133.2	-179.1	-62.2	174.9	0	0	0	110.7	I183 N187 L194 I276 I277 Q282	I183-I280 HydrophobicContact CB-CG1 4.37Å; I183-I280 HydrophobicContact CB-CG2 4.25Å; I183-I280 HydrophobicContact CD1-CD1 4.26Å; I183-I280 HydrophobicContact CD1-CG1 4.25Å; N187-I280 HydrophobicContact CB-CG2 3.75Å; L194-I280 HydrophobicContact CD1-CD1 3.72Å; I276-I280 PolarHBondContact O-N 3.23Å; I277-I280 WeakPolarHBondContact O-CB 3.32Å; I277-I280 WeakPolarHBondContact O-CG1 3.49Å; I277-I280 PolarHBondContact O-N 3.15Å; I280-Q282 PolarHBondContact O-N 3.22Å
281	G	57.2	Low	61.2	Low	29 Å²	29	48 Å²	48	30%	0.299	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	0.2	173.9	0	0	0	0	0	115.6	I183 P283	I183-G281 PolarHBondContact O-N 2.95Å; G281-P283 WeakPolarHBondContact O-CD 3.31Å
282	Q	58	Low	59	Low	14 Å²	14	51.4 Å²	51.4	7%	0.065	26%	0.261	C	S	.	.			trans	-97.3	99.7	179.2	-66.9	-164.8	-32	0	0	111.4	I280 T284 F285 D554	I280-Q282 PolarHBondContact O-N 3.22Å; Q282-T284 PolarHBondContact O-N 2.9Å; Q282-F285 HydrophobicContact CB-CD2 3.86Å; Q282-F285 HydrophobicContact CB-CE2 3.95Å; Q282-F285 VanDerWaalsContact OE1-CE2 3.24Å; Q282-D554 VanDerWaalsContact NE2-CG 3.28Å; Q282-D554 PolarHBondContact NE2-OD1 3.21Å; Q282-D554 PolarHBondContact NE2-OD2 3.15Å
283	P	48.7	Very low	56.7	Low	52 Å²	52	57.3 Å²	57.3	34%	0.338	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-69.2	-14.8	-178.8	29	-36.4	0	0	0	113.7	L184 G281 F285 I286	L184-P283 HydrophobicContact CD2-CB 4.21Å; G281-P283 WeakPolarHBondContact O-CD 3.31Å; P283-F285 PolarHBondContact O-N 3.26Å; P283-F285 VanDerWaalsContact O-N 3.08Å; P283-I286 WeakPolarHBondContact O-CB 3.04Å; P283-I286 PolarHBondContact O-N 3.44Å
284	T	47.5	Very low	54.6	Low	29 Å²	29	61.6 Å²	61.6	18%	0.178	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-63.1	-12.3	-179.1	50.1	0	0	0	0	114.5	Q282 I286 R550 V553	Q282-T284 PolarHBondContact O-N 2.9Å; T284-I286 VanDerWaalsContact C-N 3.35Å; T284-R550 PolarHBondContact OG1-O 3.44Å; T284-V553 HydrophobicContact CG2-CB 4Å; T284-V553 HydrophobicContact CG2-CG1 4.29Å; T284-V553 HydrophobicContact CG2-CG2 3.79Å
285	F	49.9	Very low	52.5	Low	13 Å²	13	67.2 Å²	67.2	6%	0.057	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-85	-7.9	175.2	-69.7	-95.2	0	0	0	113.3	S115 V182 Q282 P283 E287 H551	S115-F285 WeakPolarHBondContact CB-O 3.47Å; S115-F285 PolarHBondContact OG-O 3.3Å; V182-F285 HydrophobicContact CG2-CB 4.22Å; Q282-F285 HydrophobicContact CB-CD2 3.86Å; Q282-F285 HydrophobicContact CB-CE2 3.95Å; Q282-F285 VanDerWaalsContact OE1-CE2 3.24Å; P283-F285 PolarHBondContact O-N 3.26Å; P283-F285 VanDerWaalsContact O-N 3.08Å; F285-E287 PolarHBondContact O-N 3.04Å; F285-E287 VanDerWaalsContact O-N 3.13Å; F285-H551 AromaticContact CE1-CE1 4Å; F285-H551 AromaticContact CZ-CD2 3.88Å; F285-H551 AromaticContact CZ-CE1 3.66Å; F285-H551 AromaticContact CZ-NE2 3.57Å
286	I	49.5	Very low	50.8	Low	21 Å²	21	74.1 Å²	74.1	11%	0.108	37%	0.371	C	S	.	.			trans	-90.2	80.8	-172.5	-59.2	171.5	0	0	0	109.8	K113 V182 L184 P283 T284	K113-I286 HydrophobicContact CB-CD1 4.21Å; K113-I286 HydrophobicContact CB-CG1 4.32Å; K113-I286 HydrophobicContact CB-CG2 3.82Å; K113-I286 HydrophobicContact CD-CD1 4.31Å; K113-I286 HydrophobicContact CD-CG2 3.48Å; K113-I286 VanDerWaalsContact CD-CG2 3.48Å; K113-I286 HydrophobicContact CG-CG2 4.27Å; V182-I286 HydrophobicContact CG1-CD1 4.34Å; V182-I286 HydrophobicContact CG1-CG1 4.47Å; L184-I286 HydrophobicContact CD1-CD1 3.6Å; L184-I286 HydrophobicContact CG-CD1 4.36Å; P283-I286 WeakPolarHBondContact O-CB 3.04Å; P283-I286 PolarHBondContact O-N 3.44Å; T284-I286 VanDerWaalsContact C-N 3.35Å
287	E	43.6	Very low	49.2	Very low	53 Å²	53	79.2 Å²	79.2	25%	0.248	40%	0.398	C	S	.	.			trans	-83.3	113.9	162.6	-103.1	-177	-103.2	0	0	110.5	K117 F285 E289 R550	K117-E287 VanDerWaalsContact CD-CD 3.44Å; K117-E287 WeakPolarHBondContact CD-OE1 3.28Å; K117-E287 VanDerWaalsContact CD-OE2 3.26Å; K117-E287 WeakPolarHBondContact CD-OE2 3.23Å; K117-E287 WeakPolarHBondContact CE-OE2 3.39Å; K117-E287 IonicContact NZ-OE1 3.46Å; K117-E287 PolarHBondContact NZ-OE1 3.28Å; K117-E287 IonicContact NZ-OE2 3.48Å; K117-E287 PolarHBondContact NZ-OE2 3.32Å; F285-E287 PolarHBondContact O-N 3.04Å; F285-E287 VanDerWaalsContact O-N 3.13Å; E287-E289 PolarHBondContact O-N 3.38Å; E287-R550 IonicContact OE1-CZ 2.74Å; E287-R550 VanDerWaalsContact OE1-CZ 3.23Å; E287-R550 IonicContact OE1-NH1 3.47Å; E287-R550 PolarHBondContact OE1-NH1 3.48Å; E287-R550 IonicContact OE1-NH2 2.75Å; E287-R550 PolarHBondContact OE1-NH2 2.93Å
288	I	43.7	Very low	47.5	Very low	110 Å²	110	82.7 Å²	82.7	56%	0.564	41%	0.414	S	S	*	.			trans	-80.9	107.1	162.7	-58.7	174.4	0	0	0	106.6	R290	I288-R290 PolarHBondContact O-N 3.35Å
289	E	36.7	Very low	46.1	Very low	127 Å²	127	87.5 Å²	87.5	59%	0.593	43%	0.433	S	S	*	.			trans	-67.7	102.1	-178.6	-169.3	164.2	-128.4	0	0	110	E287	E287-E289 PolarHBondContact O-N 3.38Å
290	R	32.8	Very low	45.1	Very low	129 Å²	129	92.8 Å²	92.8	49%	0.487	46%	0.462	S	S	.	.			trans	-66.4	134	172.2	-69.7	-175.7	-177	155.6	2.4	109	I288 H292	I288-R290 PolarHBondContact O-N 3.35Å; R290-H292 VanDerWaalsContact C-N 3.33Å; R290-H292 PolarHBondContact O-N 3.34Å
291	P	31.1	Very low	44.1	Very low	134 Å²	134	97.2 Å²	97.2	87%	0.87	49%	0.485	S	S	*	.			trans	-75.5	80.8	-177.6	31.2	-36	0	0	0	111.8
292	H	35.7	Very low	43.5	Very low	121 Å²	121	104.8 Å²	104.8	56%	0.56	51%	0.505	S	S	*	.			trans	-114.9	109	174.4	-89.7	-64.2	0	0	0	112.8	R290 L294	R290-H292 VanDerWaalsContact C-N 3.33Å; R290-H292 PolarHBondContact O-N 3.34Å; H292-L294 VanDerWaalsContact C-N 3.31Å; H292-L294 PolarHBondContact O-N 3Å
293	D	35.6	Very low	42.7	Very low	127 Å²	127	109.9 Å²	109.9	68%	0.679	53%	0.532	S	S	*	.			trans	59.9	11.1	138.3	-58.8	-65.1	0	0	0	121.1	K295 K296	D293-K295 PolarHBondContact O-N 3.43Å; D293-K296 PolarHBondContact O-N 3.47Å
294	L	44	Very low	42.8	Very low	91 Å²	91	111.2 Å²	111.2	48%	0.476	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-9.5	171.2	-80.1	112.2	0	0	0	115.2	H292 K296 H298	H292-L294 VanDerWaalsContact C-N 3.31Å; H292-L294 PolarHBondContact O-N 3Å; L294-K296 PolarHBondContact O-N 3.34Å; L294-K296 VanDerWaalsContact O-N 3.16Å; L294-H298 VanDerWaalsContact CD2-CE1 3.5Å; L294-H298 WeakPolarHBondContact CD2-CE1 3.39Å; L294-H298 VanDerWaalsContact O-CB 3.32Å; L294-H298 WeakPolarHBondContact O-CB 3.49Å; L294-H298 PolarHBondContact O-N 2.88Å
295	K	41	Very low	42.8	Very low	202 Å²	202	119.7 Å²	119.7	88%	0.878	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	-18.8	176.3	-77.3	-177.9	177.3	173.3	0	114.7	D293	D293-K295 PolarHBondContact O-N 3.43Å
296	K	39.7	Very low	42.5	Very low	173 Å²	173	122.1 Å²	122.1	75%	0.752	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-57.2	177	-71.8	-179.4	178.7	173.8	0	112.4	D293 L294 H298 K299	D293-K296 PolarHBondContact O-N 3.47Å; L294-K296 PolarHBondContact O-N 3.34Å; L294-K296 VanDerWaalsContact O-N 3.16Å; K296-H298 VanDerWaalsContact C-N 3.33Å; K296-H298 PolarHBondContact O-N 3.48Å; K296-K299 PolarHBondContact O-N 2.82Å
297	D	46.7	Very low	42.2	Very low	121 Å²	121	133 Å²	133	65%	0.647	64%	0.639	S	S	*	*	H	α-helix	trans	-69.4	-28.6	-174.3	-60	-26.1	0	0	0	113.5	K299 L301	D297-K299 PolarHBondContact O-N 3.37Å; D297-L301 WeakPolarHBondContact O-CB 3.37Å; D297-L301 PolarHBondContact O-N 3.04Å; D297-L301 VanDerWaalsContact O-N 3.12Å
298	H	46.2	Very low	42.4	Very low	98 Å²	98	133.7 Å²	133.7	45%	0.454	65%	0.65	S	S	.	*	H	α-helix	trans	-65.4	-16.2	175.3	-86.6	2.7	0	0	0	114.7	L294 K296 R302	L294-H298 VanDerWaalsContact CD2-CE1 3.5Å; L294-H298 WeakPolarHBondContact CD2-CE1 3.39Å; L294-H298 VanDerWaalsContact O-CB 3.32Å; L294-H298 WeakPolarHBondContact O-CB 3.49Å; L294-H298 PolarHBondContact O-N 2.88Å; K296-H298 VanDerWaalsContact C-N 3.33Å; K296-H298 PolarHBondContact O-N 3.48Å; H298-R302 VanDerWaalsContact O-CB 3.31Å; H298-R302 WeakPolarHBondContact O-CB 3.14Å; H298-R302 WeakPolarHBondContact O-CG 2.81Å; H298-R302 PolarHBondContact O-N 2.82Å
299	K	42.1	Very low	42.8	Very low	155 Å²	155	133.4 Å²	133.4	67%	0.674	65%	0.653	S	S	*	*	H	α-helix	trans	-74.5	-55.1	176.1	-155.3	176.7	-176.6	-173.2	0	110.3	K296 D297 L301 R302 D303	K296-K299 PolarHBondContact O-N 2.82Å; D297-K299 PolarHBondContact O-N 3.37Å; K299-L301 VanDerWaalsContact C-N 3.31Å; K299-L301 PolarHBondContact O-N 2.94Å; K299-R302 PolarHBondContact O-N 3.29Å; K299-D303 PolarHBondContact O-N 2.94Å
300	I	48.2	Very low	44.2	Very low	132 Å²	132	128.1 Å²	128.1	68%	0.677	63%	0.63	S	S	*	*	H	α-helix	trans	-60.6	-40.3	178.7	-57.4	175.6	0	0	0	111.1	R302	I300-R302 PolarHBondContact O-N 3.36Å
301	L	47.6	Very low	46.4	Very low	111 Å²	111	125.5 Å²	125.5	58%	0.581	63%	0.632	S	S	*	*	H	α-helix	trans	-75.9	-17.3	-179.1	-162.7	68.1	0	0	0	114.2	D297 K299	D297-L301 WeakPolarHBondContact O-CB 3.37Å; D297-L301 PolarHBondContact O-N 3.04Å; D297-L301 VanDerWaalsContact O-N 3.12Å; K299-L301 VanDerWaalsContact C-N 3.31Å; K299-L301 PolarHBondContact O-N 2.94Å
302	R	44.4	Very low	48.7	Very low	188 Å²	188	119.3 Å²	119.3	71%	0.709	59%	0.592	S	S	*	*	H	α-helix	trans	-79.5	-41.2	175.8	-86.4	178.8	70	137.3	1	112.1	H298 K299 I300 C304 R305	H298-R302 VanDerWaalsContact O-CB 3.31Å; H298-R302 WeakPolarHBondContact O-CB 3.14Å; H298-R302 WeakPolarHBondContact O-CG 2.81Å; H298-R302 PolarHBondContact O-N 2.82Å; K299-R302 PolarHBondContact O-N 3.29Å; I300-R302 PolarHBondContact O-N 3.36Å; R302-C304 PolarHBondContact O-N 3.08Å; R302-R305 VanDerWaalsContact O-CB 3.28Å; R302-R305 WeakPolarHBondContact O-CB 3.27Å; R302-R305 PolarHBondContact O-N 2.79Å
303	D	42.5	Very low	51.1	Low	120 Å²	120	114.8 Å²	114.8	64%	0.642	58%	0.576	S	S	*	*	H	α-helix	trans	-69.3	-35.5	-170.8	-61.2	-18.6	0	0	0	111.5	K299 R305	K299-D303 PolarHBondContact O-N 2.94Å; D303-R305 PolarHBondContact O-N 3.3Å
304	C	50.1	Low	53.7	Low	80 Å²	80	115.8 Å²	115.8	54%	0.541	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.9	-10.5	170.4	-60.6	0	0	0	0	114.7	R302	R302-C304 PolarHBondContact O-N 3.08Å
305	R	47.3	Very low	56	Low	207 Å²	207	114.1 Å²	114.1	78%	0.781	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-17.3	-174.1	-165.4	169.7	179.4	160.1	-0.5	113.6	R302 D303	R302-R305 VanDerWaalsContact O-CB 3.28Å; R302-R305 WeakPolarHBondContact O-CB 3.27Å; R302-R305 PolarHBondContact O-N 2.79Å; D303-R305 PolarHBondContact O-N 3.3Å
306	G	43.4	Very low	58.4	Low	64 Å²	64	104.8 Å²	104.8	66%	0.66	52%	0.52	S	S	*	.	S	Bend	trans	-76.8	-27.4	179.5	0	0	0	0	0	114.8	S308	G306-S308 PolarHBondContact O-N 3.11Å
307	W	43.4	Very low	60.8	Low	250 Å²	250	100.8 Å²	100.8	95%	0.947	51%	0.506	S	S	*	.	S	Bend	trans	-99.1	32.2	-165.8	-140.2	-47.3	0	0	0	114.5
308	S	48.1	Very low	63.1	Low	67 Å²	67	99.1 Å²	99.1	47%	0.469	50%	0.496	S	S	.	.			trans	-140.3	47.9	-179.3	-150.5	0	0	0	0	114	G306 S310	G306-S308 PolarHBondContact O-N 3.11Å; S308-S310 PolarHBondContact O-N 3.32Å
309	T	51.4	Low	65.4	Low	105 Å²	105	95.4 Å²	95.4	64%	0.644	48%	0.48	S	S	*	.			trans	-69.9	72.6	154.8	-45.3	0	0	0	0	108	W314	T309-W314 HydrophobicContact CG2-CZ2 4.37Å
310	S	67.8	Low	67.9	Low	15 Å²	15	89 Å²	89	11%	0.105	45%	0.454	C	S	.	.			trans	-66	145.1	-162.2	85.3	0	0	0	0	112.5	S308 G312 A313 W314	S308-S310 PolarHBondContact O-N 3.32Å; S310-G312 PolarHBondContact O-N 3.1Å; S310-A313 WeakPolarHBondContact O-CA 3.4Å; S310-A313 VanDerWaalsContact O-CB 3.28Å; S310-A313 WeakPolarHBondContact O-CB 3.46Å; S310-A313 PolarHBondContact O-N 3.45Å; S310-W314 PolarHBondContact O-N 3.45Å
311	S	77.2	Confident	70.1	Confident	74 Å²	74	87.7 Å²	87.7	52%	0.517	45%	0.448	S	S	.	.	H	α-helix	trans	-51.4	-41.1	178.5	46.9	0	0	0	0	113.1	A313 W314 F315 Q471	S311-A313 PolarHBondContact O-N 3.42Å; S311-W314 PolarHBondContact O-N 3.01Å; S311-F315 PolarHBondContact O-N 3.2Å; S311-Q471 PolarHBondContact OG-OE1 3.47Å
312	G	81.1	Confident	72.4	Confident	4 Å²	4	86.7 Å²	86.7	4%	0.041	44%	0.442	C	S	.	.	H	α-helix	trans	-63	-22.1	175.6	0	0	0	0	0	115.1	S310 G316 A475	S310-G312 PolarHBondContact O-N 3.1Å; G312-G316 PolarHBondContact O-N 2.97Å; G312-G316 VanDerWaalsContact O-N 3.07Å; G312-A475 PolarHBondContact O-N 3.14Å
313	A	85.5	Confident	74.8	Confident	26 Å²	26	78 Å²	78	22%	0.215	41%	0.41	C	S	.	.	H	α-helix	trans	-77.8	-43.2	172.9	0	0	0	0	0	111.7	S310 S311 G316 I317 V474	S310-A313 WeakPolarHBondContact O-CA 3.4Å; S310-A313 VanDerWaalsContact O-CB 3.28Å; S310-A313 WeakPolarHBondContact O-CB 3.46Å; S310-A313 PolarHBondContact O-N 3.45Å; S311-A313 PolarHBondContact O-N 3.42Å; A313-G316 PolarHBondContact O-N 3.05Å; A313-I317 WeakPolarHBondContact O-CB 3.4Å; A313-I317 WeakPolarHBondContact O-CD1 3.46Å; A313-I317 VanDerWaalsContact O-CG1 3.26Å; A313-I317 WeakPolarHBondContact O-CG1 3.29Å; A313-I317 PolarHBondContact O-N 3.41Å; A313-V474 HydrophobicContact CB-CG1 3.86Å
314	W	89.2	Confident	77.2	Confident	149 Å²	149	75.8 Å²	75.8	56%	0.564	40%	0.397	S	S	*	.	H	α-helix	trans	-62.2	-43.6	171.2	-77.2	114.7	0	0	0	111.5	T309 S310 S311 I317 I318	T309-W314 HydrophobicContact CG2-CZ2 4.37Å; S310-W314 PolarHBondContact O-N 3.45Å; S311-W314 PolarHBondContact O-N 3.01Å; W314-I317 PolarHBondContact O-N 3.25Å; W314-I318 HydrophobicContact CB-CD1 4.46Å; W314-I318 VanDerWaalsContact O-CB 3.32Å; W314-I318 WeakPolarHBondContact O-CB 3.29Å; W314-I318 WeakPolarHBondContact O-CD1 3.42Å; W314-I318 WeakPolarHBondContact O-CG1 3.25Å; W314-I318 PolarHBondContact O-N 3.4Å
315	F	92.6	Very high	79.3	Confident	56 Å²	56	74.8 Å²	74.8	25%	0.246	40%	0.395	C	S	.	.	H	α-helix	trans	-54.1	-56.4	173.2	-177.8	-86.6	0	0	0	111	S311 I317 I318 T319 F359 F363 A475 I479	S311-F315 PolarHBondContact O-N 3.2Å; F315-I317 VanDerWaalsContact C-N 3.33Å; F315-I317 PolarHBondContact O-N 3Å; F315-I318 PolarHBondContact O-N 2.69Å; F315-T319 WeakPolarHBondContact CE1-OG1 3.37Å; F315-T319 WeakPolarHBondContact O-CB 3.11Å; F315-T319 PolarHBondContact O-N 3.36Å; F315-T319 PolarHBondContact O-OG1 2.83Å; F315-F359 HydrophobicContact CE2-CE1 4.46Å; F315-F359 HydrophobicContact CZ-CB 4.47Å; F315-F359 HydrophobicContact CZ-CD1 4.11Å; F315-F359 HydrophobicContact CZ-CD2 4.32Å; F315-F359 HydrophobicContact CZ-CE1 4.44Å; F315-F359 HydrophobicContact CZ-CG 4.07Å; F315-F363 AromaticContact CD1-CE2 3.99Å; F315-F363 HydrophobicContact CD1-CE2 3.99Å; F315-F363 HydrophobicContact CD1-CZ 4.18Å; F315-F363 HydrophobicContact CD2-CZ 4.45Å; F315-F363 HydrophobicContact CE1-CD2 4.28Å; F315-F363 AromaticContact CE1-CE2 3.54Å; F315-F363 HydrophobicContact CE1-CE2 3.54Å; F315-F363 HydrophobicContact CE1-CZ 4.18Å; F315-F363 HydrophobicContact CE2-CE2 4.15Å; F315-F363 HydrophobicContact CE2-CZ 4.43Å; F315-F363 HydrophobicContact CG-CE2 4.49Å; F315-F363 HydrophobicContact CG-CZ 4.34Å; F315-F363 AromaticContact CZ-CE2 3.64Å; F315-F363 HydrophobicContact CZ-CE2 3.64Å; F315-F363 HydrophobicContact CZ-CZ 4.31Å; F315-A475 HydrophobicContact CD1-CB 3.91Å; F315-I479 HydrophobicContact CE1-CD1 4.03Å; F315-I479 HydrophobicContact CE1-CG1 4.14Å
316	G	91.3	Very high	81.4	Confident	5 Å²	5	67.4 Å²	67.4	5%	0.052	37%	0.37	C	S	.	.	H	α-helix	trans	-58.9	-39.8	-179.1	0	0	0	0	0	114	G312 A313 V320	G312-G316 PolarHBondContact O-N 2.97Å; G312-G316 VanDerWaalsContact O-N 3.07Å; A313-G316 PolarHBondContact O-N 3.05Å; G316-V320 VanDerWaalsContact O-CG2 3.3Å; G316-V320 WeakPolarHBondContact O-CG2 3.36Å; G316-V320 PolarHBondContact O-N 3.45Å; G316-V320 VanDerWaalsContact O-N 3.1Å
317	I	91.4	Very high	83.6	Confident	90 Å²	90	64.9 Å²	64.9	46%	0.462	34%	0.342	S	S	.	.	H	α-helix	trans	-67.4	-45.7	176.5	-68.8	165.4	0	0	0	111	A313 W314 F315 V320 L321	A313-I317 WeakPolarHBondContact O-CB 3.4Å; A313-I317 WeakPolarHBondContact O-CD1 3.46Å; A313-I317 VanDerWaalsContact O-CG1 3.26Å; A313-I317 WeakPolarHBondContact O-CG1 3.29Å; A313-I317 PolarHBondContact O-N 3.41Å; W314-I317 PolarHBondContact O-N 3.25Å; F315-I317 VanDerWaalsContact C-N 3.33Å; F315-I317 PolarHBondContact O-N 3Å; I317-V320 PolarHBondContact O-N 3.39Å; I317-L321 HydrophobicContact CG2-CD1 3.86Å; I317-L321 HydrophobicContact CG2-CG 4.41Å; I317-L321 WeakPolarHBondContact O-CB 3.44Å; I317-L321 VanDerWaalsContact O-CG 3.32Å; I317-L321 WeakPolarHBondContact O-CG 3.26Å; I317-L321 PolarHBondContact O-N 2.66Å
318	I	94.5	Very high	85.7	Confident	86 Å²	86	56.7 Å²	56.7	44%	0.441	32%	0.32	S	S	.	.	H	α-helix	trans	-64.2	-44	179.7	-69.9	165.5	0	0	0	110.5	W314 F315 V320 L321 I322	W314-I318 HydrophobicContact CB-CD1 4.46Å; W314-I318 VanDerWaalsContact O-CB 3.32Å; W314-I318 WeakPolarHBondContact O-CB 3.29Å; W314-I318 WeakPolarHBondContact O-CD1 3.42Å; W314-I318 WeakPolarHBondContact O-CG1 3.25Å; W314-I318 PolarHBondContact O-N 3.4Å; F315-I318 PolarHBondContact O-N 2.69Å; I318-V320 PolarHBondContact O-N 3.07Å; I318-L321 PolarHBondContact O-N 3.36Å; I318-I322 HydrophobicContact CG2-CD1 3.68Å; I318-I322 HydrophobicContact CG2-CG1 4.37Å; I318-I322 WeakPolarHBondContact O-CB 3.27Å; I318-I322 VanDerWaalsContact O-CG1 3.3Å; I318-I322 WeakPolarHBondContact O-CG1 3.36Å; I318-I322 PolarHBondContact O-N 3.24Å
319	T	94.5	Very high	87.7	Confident	19 Å²	19	58.4 Å²	58.4	12%	0.117	32%	0.323	C	S	.	.	H	α-helix	trans	-57.4	-48.3	174.5	-58	0	0	0	0	111.5	F315 L321 I322 I323 L356 A482	F315-T319 WeakPolarHBondContact CE1-OG1 3.37Å; F315-T319 WeakPolarHBondContact O-CB 3.11Å; F315-T319 PolarHBondContact O-N 3.36Å; F315-T319 PolarHBondContact O-OG1 2.83Å; T319-L321 PolarHBondContact O-N 3.19Å; T319-I322 PolarHBondContact O-N 3.32Å; T319-I323 VanDerWaalsContact O-CG1 3.28Å; T319-I323 WeakPolarHBondContact O-CG1 3.45Å; T319-I323 PolarHBondContact O-N 3.03Å; T319-L356 HydrophobicContact CG2-CD2 3.44Å; T319-L356 VanDerWaalsContact CG2-CD2 3.44Å; T319-A482 HydrophobicContact CG2-CB 4.02Å
320	V	94	Very high	89.4	Confident	21 Å²	21	53.4 Å²	53.4	13%	0.127	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-41.2	178.4	168.3	0	0	0	0	111.7	G316 I317 I318 I323 I324 G478 L481 A482 I485	G316-V320 VanDerWaalsContact O-CG2 3.3Å; G316-V320 WeakPolarHBondContact O-CG2 3.36Å; G316-V320 PolarHBondContact O-N 3.45Å; G316-V320 VanDerWaalsContact O-N 3.1Å; I317-V320 PolarHBondContact O-N 3.39Å; I318-V320 PolarHBondContact O-N 3.07Å; V320-I323 PolarHBondContact O-N 3.49Å; V320-I324 HydrophobicContact CG1-CD1 3.76Å; V320-I324 HydrophobicContact CG1-CG1 4.47Å; V320-I324 WeakPolarHBondContact O-CB 3.39Å; V320-I324 VanDerWaalsContact O-CG1 3.24Å; V320-I324 WeakPolarHBondContact O-CG1 3.44Å; V320-I324 PolarHBondContact O-N 3.38Å; V320-G478 WeakPolarHBondContact CG2-O 3.32Å; V320-L481 HydrophobicContact CG1-CD2 4.43Å; V320-L481 HydrophobicContact CG2-CB 4.23Å; V320-L481 HydrophobicContact CG2-CD2 4.14Å; V320-L481 HydrophobicContact CG2-CG 4.2Å; V320-A482 HydrophobicContact CG2-CB 4.2Å; V320-I485 HydrophobicContact CG1-CD1 3.95Å
321	L	94.8	Very high	90.1	Very high	105 Å²	105	54.9 Å²	54.9	55%	0.55	30%	0.301	S	S	.	.	H	α-helix	trans	-65.8	-40.4	177.4	-72.4	171.4	0	0	0	112.9	I317 I318 T319 I324 A325	I317-L321 HydrophobicContact CG2-CD1 3.86Å; I317-L321 HydrophobicContact CG2-CG 4.41Å; I317-L321 WeakPolarHBondContact O-CB 3.44Å; I317-L321 VanDerWaalsContact O-CG 3.32Å; I317-L321 WeakPolarHBondContact O-CG 3.26Å; I317-L321 PolarHBondContact O-N 2.66Å; I318-L321 PolarHBondContact O-N 3.36Å; T319-L321 PolarHBondContact O-N 3.19Å; L321-I324 PolarHBondContact O-N 3.4Å; L321-A325 PolarHBondContact O-N 3.45Å
322	I	95.8	Very high	90.4	Very high	89 Å²	89	55.6 Å²	55.6	46%	0.456	31%	0.306	S	S	.	.	H	α-helix	trans	-62.1	-47.7	175.4	-71.5	167.6	0	0	0	110.2	I318 T319 I324 A325 L326	I318-I322 HydrophobicContact CG2-CD1 3.68Å; I318-I322 HydrophobicContact CG2-CG1 4.37Å; I318-I322 WeakPolarHBondContact O-CB 3.27Å; I318-I322 VanDerWaalsContact O-CG1 3.3Å; I318-I322 WeakPolarHBondContact O-CG1 3.36Å; I318-I322 PolarHBondContact O-N 3.24Å; T319-I322 PolarHBondContact O-N 3.32Å; I322-I324 VanDerWaalsContact C-N 3.34Å; I322-I324 PolarHBondContact O-N 3.33Å; I322-A325 WeakPolarHBondContact O-CB 3.38Å; I322-A325 PolarHBondContact O-N 2.98Å; I322-A325 VanDerWaalsContact O-N 3.13Å; I322-L326 HydrophobicContact CG2-CD1 3.75Å; I322-L326 HydrophobicContact CG2-CG 4.34Å; I322-L326 WeakPolarHBondContact O-CG 3.49Å; I322-L326 PolarHBondContact O-N 2.85Å
323	I	94.9	Very high	90.4	Very high	7 Å²	7	56.4 Å²	56.4	4%	0.036	31%	0.313	C	S	.	.	H	α-helix	trans	-68.4	-33.1	-178.8	-61.9	-67.9	0	0	0	111.4	T319 V320 T327 E352 L356 A482 I485 Q486	T319-I323 VanDerWaalsContact O-CG1 3.28Å; T319-I323 WeakPolarHBondContact O-CG1 3.45Å; T319-I323 PolarHBondContact O-N 3.03Å; V320-I323 PolarHBondContact O-N 3.49Å; I323-T327 WeakPolarHBondContact O-CB 3.42Å; I323-T327 PolarHBondContact O-N 3.26Å; I323-T327 PolarHBondContact O-OG1 2.85Å; I323-E352 HydrophobicContact CD1-CB 4.01Å; I323-E352 HydrophobicContact CD1-CG 3.69Å; I323-E352 WeakPolarHBondContact CD1-OE2 3.37Å; I323-L356 HydrophobicContact CD1-CD1 3.88Å; I323-L356 HydrophobicContact CD1-CG 4.47Å; I323-L356 HydrophobicContact CG1-CD1 4.18Å; I323-A482 HydrophobicContact CB-CB 4.37Å; I323-A482 HydrophobicContact CG1-CB 4.11Å; I323-I485 HydrophobicContact CG2-CG2 4.33Å; I323-Q486 HydrophobicContact CG2-CB 4.11Å; I323-Q486 HydrophobicContact CG2-CG 4.47Å
324	I	92.5	Very high	89.9	Confident	72 Å²	72	59.5 Å²	59.5	37%	0.369	33%	0.33	S	S	.	.	H	α-helix	trans	-62.6	-44.4	169.6	-71.2	165.7	0	0	0	110.9	V320 L321 I322 T328 I485	V320-I324 HydrophobicContact CG1-CD1 3.76Å; V320-I324 HydrophobicContact CG1-CG1 4.47Å; V320-I324 WeakPolarHBondContact O-CB 3.39Å; V320-I324 VanDerWaalsContact O-CG1 3.24Å; V320-I324 WeakPolarHBondContact O-CG1 3.44Å; V320-I324 PolarHBondContact O-N 3.38Å; L321-I324 PolarHBondContact O-N 3.4Å; I322-I324 VanDerWaalsContact C-N 3.34Å; I322-I324 PolarHBondContact O-N 3.33Å; I324-T328 WeakPolarHBondContact O-CB 3.46Å; I324-T328 PolarHBondContact O-N 3.36Å; I324-T328 PolarHBondContact O-OG1 3.32Å; I324-I485 HydrophobicContact CD1-CD1 4.13Å; I324-I485 HydrophobicContact CG1-CD1 3.93Å; I324-I485 HydrophobicContact CG1-CG2 4.38Å
325	A	93.7	Very high	89.1	Confident	59 Å²	59	56.2 Å²	56.2	49%	0.488	32%	0.324	S	S	.	.	H	α-helix	trans	-64.6	-44.3	178.8	0	0	0	0	0	112.1	L321 I322 T328 L329	L321-A325 PolarHBondContact O-N 3.45Å; I322-A325 WeakPolarHBondContact O-CB 3.38Å; I322-A325 PolarHBondContact O-N 2.98Å; I322-A325 VanDerWaalsContact O-N 3.13Å; A325-T328 WeakPolarHBondContact O-CB 2.91Å; A325-T328 PolarHBondContact O-N 3.39Å; A325-L329 PolarHBondContact O-N 2.75Å
326	L	92.8	Very high	88.1	Confident	52 Å²	52	57.5 Å²	57.5	27%	0.272	33%	0.331	S	S	.	.	H	α-helix	trans	-70.4	-36.2	178.4	-64.7	171.7	0	0	0	112.6	I322 T328 L329 T330 E352	I322-L326 HydrophobicContact CG2-CD1 3.75Å; I322-L326 HydrophobicContact CG2-CG 4.34Å; I322-L326 WeakPolarHBondContact O-CG 3.49Å; I322-L326 PolarHBondContact O-N 2.85Å; L326-T328 VanDerWaalsContact C-N 3.32Å; L326-T328 PolarHBondContact O-N 2.88Å; L326-L329 PolarHBondContact O-N 2.84Å; L326-T330 WeakPolarHBondContact O-CB 3.47Å; L326-T330 WeakPolarHBondContact O-CG2 3.29Å; L326-T330 PolarHBondContact O-N 2.7Å; L326-T330 PolarHBondContact O-OG1 3.11Å; L326-E352 WeakPolarHBondContact CB-OE1 3.29Å; L326-E352 HydrophobicContact CD1-CG 3.87Å; L326-E352 WeakPolarHBondContact CD1-OE1 3.43Å
327	T	89.5	Confident	86.9	Confident	11 Å²	11	63.5 Å²	63.5	7%	0.067	36%	0.36	C	S	.	.	H	α-helix	trans	-58.3	-45.6	168	-60.4	0	0	0	0	110.8	I323 L329 T330 V331 F489 Q490	I323-T327 WeakPolarHBondContact O-CB 3.42Å; I323-T327 PolarHBondContact O-N 3.26Å; I323-T327 PolarHBondContact O-OG1 2.85Å; T327-L329 VanDerWaalsContact C-N 3.33Å; T327-L329 PolarHBondContact O-N 2.97Å; T327-T330 PolarHBondContact O-N 3.46Å; T327-T330 PolarHBondContact O-OG1 3.09Å; T327-V331 HydrophobicContact CG2-CG2 4.3Å; T327-V331 VanDerWaalsContact O-CB 3.31Å; T327-V331 WeakPolarHBondContact O-CB 3.36Å; T327-V331 VanDerWaalsContact O-CG2 3.29Å; T327-V331 WeakPolarHBondContact O-CG2 3.32Å; T327-V331 PolarHBondContact O-N 2.92Å; T327-F489 HydrophobicContact CG2-CB 3.48Å; T327-F489 VanDerWaalsContact CG2-CB 3.48Å; T327-F489 HydrophobicContact CG2-CG 4.33Å; T327-Q490 HydrophobicContact CG2-CG 4.01Å; T327-Q490 PolarHBondContact OG1-NE2 3.02Å
328	T	87.8	Confident	85.9	Confident	79 Å²	79	63.7 Å²	63.7	49%	0.485	36%	0.362	S	S	.	.	H	α-helix	trans	-62.8	-41.7	177.9	-52.9	0	0	0	0	110.8	I324 A325 L326 S332	I324-T328 WeakPolarHBondContact O-CB 3.46Å; I324-T328 PolarHBondContact O-N 3.36Å; I324-T328 PolarHBondContact O-OG1 3.32Å; A325-T328 WeakPolarHBondContact O-CB 2.91Å; A325-T328 PolarHBondContact O-N 3.39Å; L326-T328 VanDerWaalsContact C-N 3.32Å; L326-T328 PolarHBondContact O-N 2.88Å; T328-S332 WeakPolarHBondContact O-CB 3.49Å; T328-S332 PolarHBondContact O-N 3.36Å; T328-S332 PolarHBondContact O-OG 2.93Å
329	L	90.2	Very high	84.8	Confident	102 Å²	102	61.8 Å²	61.8	53%	0.534	35%	0.352	S	S	.	.	H	α-helix	trans	-66.4	-46.5	178.4	178	63.2	0	0	0	113.1	A325 L326 T327 A333	A325-L329 PolarHBondContact O-N 2.75Å; L326-L329 PolarHBondContact O-N 2.84Å; T327-L329 VanDerWaalsContact C-N 3.33Å; T327-L329 PolarHBondContact O-N 2.97Å; L329-A333 WeakPolarHBondContact O-CB 3.08Å; L329-A333 PolarHBondContact O-N 3.26Å
330	T	86.8	Confident	83.9	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-70.2	-38.6	-177	46.4	0	0	0	0	112.6	L326 T327 W344 V348	L326-T330 WeakPolarHBondContact O-CB 3.47Å; L326-T330 WeakPolarHBondContact O-CG2 3.29Å; L326-T330 PolarHBondContact O-N 2.7Å; L326-T330 PolarHBondContact O-OG1 3.11Å; T327-T330 PolarHBondContact O-N 3.46Å; T327-T330 PolarHBondContact O-OG1 3.09Å; T330-W344 HydrophobicContact CG2-CZ3 4.26Å; T330-V348 HydrophobicContact CG2-CB 4.38Å; T330-V348 HydrophobicContact CG2-CG1 3.83Å
331	V	82.6	Confident	83.2	Confident	46 Å²	46	71.1 Å²	71.1	28%	0.279	39%	0.391	S	S	.	.	H	α-helix	trans	-76.6	-38.1	177.5	176	0	0	0	0	112.4	Y257 T327 A333 F489	Y257-V331 HydrophobicContact CE1-CG1 4.22Å; Y257-V331 HydrophobicContact CE1-CG2 4.31Å; Y257-V331 HydrophobicContact CE2-CG1 3.92Å; T327-V331 HydrophobicContact CG2-CG2 4.3Å; T327-V331 VanDerWaalsContact O-CB 3.31Å; T327-V331 WeakPolarHBondContact O-CB 3.36Å; T327-V331 VanDerWaalsContact O-CG2 3.29Å; T327-V331 WeakPolarHBondContact O-CG2 3.32Å; T327-V331 PolarHBondContact O-N 2.92Å; V331-A333 VanDerWaalsContact C-N 3.34Å; V331-F489 WeakPolarHBondContact CG2-O 3.33Å
332	S	82.5	Confident	82.5	Confident	89 Å²	89	66.2 Å²	66.2	62%	0.622	37%	0.365	S	S	*	.	H	α-helix	trans	-76.4	-19.1	-180	-48.8	0	0	0	0	113.7	T328	T328-S332 WeakPolarHBondContact O-CB 3.49Å; T328-S332 PolarHBondContact O-N 3.36Å; T328-S332 PolarHBondContact O-OG 2.93Å
333	A	82.5	Confident	82	Confident	22 Å²	22	62.9 Å²	62.9	18%	0.182	35%	0.348	C	S	.	.	S	Bend	trans	-72.4	132.3	175.1	0	0	0	0	0	110	L329 V331 W344 K345	L329-A333 WeakPolarHBondContact O-CB 3.08Å; L329-A333 PolarHBondContact O-N 3.26Å; V331-A333 VanDerWaalsContact C-N 3.34Å; A333-W344 HydrophobicContact CB-CH2 3.71Å; A333-W344 HydrophobicContact CB-CZ2 3.65Å; A333-K345 PolarHBondContact O-NZ 3.26Å
334	P	75	Confident	81.7	Confident	91 Å²	91	67.5 Å²	67.5	59%	0.591	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-59.8	153.5	179.9	25.8	-34.7	0	0	0	111.8	K345	P334-K345 PolarHBondContact O-NZ 3.01Å
335	N	70.7	Confident	81.6	Confident	79 Å²	79	64.1 Å²	64.1	42%	0.422	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-88.5	118.4	170.3	-72.9	-24.7	0	0	0	108.6	K345	N335-K345 PolarHBondContact OD1-NZ 2.94Å
336	H	72.1	Confident	81.3	Confident	84 Å²	84	61.6 Å²	61.6	39%	0.389	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-81.5	154.4	175.7	-67.8	-96.8	0	0	0	110.3	D338 Q341 N342	H336-D338 VanDerWaalsContact C-N 3.34Å; H336-Q341 HydrophobicContact CB-CB 3.75Å; H336-Q341 PolarHBondContact ND1-OE1 3.25Å; H336-N342 PolarHBondContact N-OD1 3.08Å; H336-N342 PolarHBondContact O-ND2 3.17Å
337	I	66.8	Low	81.2	Confident	131 Å²	131	63.8 Å²	63.8	67%	0.672	34%	0.338	S	S	*	.	S	Bend	trans	-67.2	-39.7	176	-57.2	173.1	0	0	0	109.9	Y230 L339	Y230-I337 HydrophobicContact CD1-CD1 4.38Å; Y230-I337 HydrophobicContact CE1-CD1 3.81Å; Y230-I337 HydrophobicContact CE2-CD1 3.97Å; I337-L339 PolarHBondContact O-N 3.1Å
338	D	69.7	Low	81.3	Confident	94 Å²	94	65.3 Å²	65.3	50%	0.503	35%	0.347	S	S	.	.	S	Bend	trans	-65.9	111.5	173.5	-78.2	-22	0	0	0	111.7	H336 K340 Q341	H336-D338 VanDerWaalsContact C-N 3.34Å; D338-K340 PolarHBondContact O-N 3.39Å; D338-K340 VanDerWaalsContact O-N 3.11Å; D338-Q341 HydrophobicContact CB-CB 4.2Å; D338-Q341 HydrophobicContact CB-CG 3.77Å; D338-Q341 PolarHBondContact O-N 3.39Å; D338-Q341 PolarHBondContact OD2-NE2 2.92Å
339	L	71.6	Confident	81.5	Confident	45 Å²	45	61.6 Å²	61.6	24%	0.236	32%	0.324	C	S	.	.	H	α-helix	trans	-48.2	-41.6	172.5	176.9	60.3	0	0	0	112.2	I337 Q341 N342 L343 E425 M499 L500	I337-L339 PolarHBondContact O-N 3.1Å; L339-Q341 PolarHBondContact O-N 3.05Å; L339-N342 PolarHBondContact O-N 3.34Å; L339-L343 HydrophobicContact CD1-CD2 4.32Å; L339-L343 HydrophobicContact CG-CD2 4.24Å; L339-L343 WeakPolarHBondContact O-CG 3.28Å; L339-L343 PolarHBondContact O-N 2.98Å; L339-E425 HydrophobicContact CD2-CG 4.25Å; L339-M499 HydrophobicContact CD1-CB 3.79Å; L339-M499 HydrophobicContact CD1-CE 3.62Å; L339-M499 HydrophobicContact CD1-CG 4.2Å; L339-L500 HydrophobicContact CD2-CD1 3.97Å
340	K	75.9	Confident	81.6	Confident	148 Å²	148	57.9 Å²	57.9	64%	0.643	30%	0.304	S	S	*	.	H	α-helix	trans	-55	-35.5	177.7	-72.1	-178.6	179.6	173.7	0	113.7	D338 N342	D338-K340 PolarHBondContact O-N 3.39Å; D338-K340 VanDerWaalsContact O-N 3.11Å; K340-N342 VanDerWaalsContact C-N 3.33Å
341	Q	78.5	Confident	81.9	Confident	88 Å²	88	59.9 Å²	59.9	41%	0.411	32%	0.321	S	S	.	.	H	α-helix	trans	-78.5	-17.6	179.7	-61.9	-174.4	31.3	0	0	112.5	H336 D338 L339 W344	H336-Q341 HydrophobicContact CB-CB 3.75Å; H336-Q341 PolarHBondContact ND1-OE1 3.25Å; D338-Q341 HydrophobicContact CB-CB 4.2Å; D338-Q341 HydrophobicContact CB-CG 3.77Å; D338-Q341 PolarHBondContact O-N 3.39Å; D338-Q341 PolarHBondContact OD2-NE2 2.92Å; L339-Q341 PolarHBondContact O-N 3.05Å; Q341-W344 PolarHBondContact O-NE1 2.96Å; Q341-W344 VanDerWaalsContact O-NE1 3.1Å
342	N	81.4	Confident	82.4	Confident	3 Å²	3	58.2 Å²	58.2	2%	0.016	31%	0.311	C	S	.	.	H	α-helix	trans	-93.2	-14.3	174.9	-60.8	-39.6	0	0	0	113.5	H336 L339 K340 W344 K345	H336-N342 PolarHBondContact N-OD1 3.08Å; H336-N342 PolarHBondContact O-ND2 3.17Å; L339-N342 PolarHBondContact O-N 3.34Å; K340-N342 VanDerWaalsContact C-N 3.33Å; N342-W344 PolarHBondContact O-N 3.45Å; N342-K345 WeakPolarHBondContact O-CB 3.33Å; N342-K345 PolarHBondContact O-N 2.95Å
343	L	85.6	Confident	82.9	Confident	19 Å²	19	54 Å²	54	10%	0.099	28%	0.281	C	S	.	.	H	α-helix	trans	-56	-29.1	-174.9	-66.3	179.9	0	0	0	114.3	L339 K345 C346 I347 L428 I496	L339-L343 HydrophobicContact CD1-CD2 4.32Å; L339-L343 HydrophobicContact CG-CD2 4.24Å; L339-L343 WeakPolarHBondContact O-CG 3.28Å; L339-L343 PolarHBondContact O-N 2.98Å; L343-K345 VanDerWaalsContact C-N 3.25Å; L343-K345 PolarHBondContact O-N 2.9Å; L343-C346 WeakPolarHBondContact O-CB 3.4Å; L343-C346 PolarHBondContact O-N 2.97Å; L343-I347 WeakPolarHBondContact O-CG1 3.14Å; L343-I347 PolarHBondContact O-N 2.98Å; L343-L428 HydrophobicContact CD2-CD1 3.82Å; L343-I496 HydrophobicContact CD2-CD1 4.31Å
344	W	88.2	Confident	83.5	Confident	103 Å²	103	54.6 Å²	54.6	39%	0.39	29%	0.285	S	S	.	.	H	α-helix	trans	-63.4	-32.3	176.1	69.8	-94.6	0	0	0	112.3	T330 A333 Q341 N342 I347 V348	T330-W344 HydrophobicContact CG2-CZ3 4.26Å; A333-W344 HydrophobicContact CB-CH2 3.71Å; A333-W344 HydrophobicContact CB-CZ2 3.65Å; Q341-W344 PolarHBondContact O-NE1 2.96Å; Q341-W344 VanDerWaalsContact O-NE1 3.1Å; N342-W344 PolarHBondContact O-N 3.45Å; W344-I347 PolarHBondContact O-N 3.41Å; W344-V348 HydrophobicContact CE3-CG2 4.32Å; W344-V348 VanDerWaalsContact O-CG2 3.31Å; W344-V348 WeakPolarHBondContact O-CG2 3.35Å; W344-V348 PolarHBondContact O-N 3.34Å
345	K	89.1	Confident	84.5	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.009	28%	0.28	C	S	.	.	H	α-helix	trans	-63.7	-47.2	174.4	-52.2	-171.2	-173	-171.6	0	109.7	A333 P334 N335 N342 L343 I347 V348 V349 A494	A333-K345 PolarHBondContact O-NZ 3.26Å; P334-K345 PolarHBondContact O-NZ 3.01Å; N335-K345 PolarHBondContact OD1-NZ 2.94Å; N342-K345 WeakPolarHBondContact O-CB 3.33Å; N342-K345 PolarHBondContact O-N 2.95Å; L343-K345 VanDerWaalsContact C-N 3.25Å; L343-K345 PolarHBondContact O-N 2.9Å; K345-I347 VanDerWaalsContact C-N 3.33Å; K345-I347 PolarHBondContact O-N 2.93Å; K345-V348 PolarHBondContact O-N 2.95Å; K345-V348 VanDerWaalsContact O-N 3.12Å; K345-V349 WeakPolarHBondContact O-CG2 3.38Å; K345-V349 PolarHBondContact O-N 3.47Å; K345-A494 HydrophobicContact CB-CB 3.65Å
346	C	88.2	Confident	85.7	Confident	5 Å²	5	51.2 Å²	51.2	3%	0.034	26%	0.262	C	S	.	.	H	α-helix	trans	-58.4	-42.7	176.1	-49.5	0	0	0	0	112.5	L343 L350 L428 A494	L343-C346 WeakPolarHBondContact O-CB 3.4Å; L343-C346 PolarHBondContact O-N 2.97Å; C346-L350 WeakPolarHBondContact O-CB 3.42Å; C346-L350 PolarHBondContact O-N 3.42Å; C346-L428 HydrophobicContact CB-CD1 4.33Å; C346-A494 WeakPolarHBondContact CA-O 3.17Å; C346-A494 PolarHBondContact N-O 3.01Å; C346-A494 PolarHBondContact SG-O 2.96Å; C346-A494 VanDerWaalsContact SG-O 3.35Å
347	I	90.8	Very high	86.8	Confident	99 Å²	99	47.2 Å²	47.2	51%	0.508	24%	0.243	S	C	.	.	H	α-helix	trans	-62.8	-42.4	176	-67.2	164.1	0	0	0	111	L343 W344 K345 A351 L428	L343-I347 WeakPolarHBondContact O-CG1 3.14Å; L343-I347 PolarHBondContact O-N 2.98Å; W344-I347 PolarHBondContact O-N 3.41Å; K345-I347 VanDerWaalsContact C-N 3.33Å; K345-I347 PolarHBondContact O-N 2.93Å; I347-A351 WeakPolarHBondContact O-CB 3.1Å; I347-A351 PolarHBondContact O-N 3.3Å; I347-L428 HydrophobicContact CG1-CD2 3.88Å
348	V	92.3	Very high	88.2	Confident	42 Å²	42	46.7 Å²	46.7	26%	0.255	24%	0.241	S	C	.	.	H	α-helix	trans	-65.1	-51.1	179.1	166.8	0	0	0	0	111.6	T330 W344 K345 L350 A351 E352	T330-V348 HydrophobicContact CG2-CB 4.38Å; T330-V348 HydrophobicContact CG2-CG1 3.83Å; W344-V348 HydrophobicContact CE3-CG2 4.32Å; W344-V348 VanDerWaalsContact O-CG2 3.31Å; W344-V348 WeakPolarHBondContact O-CG2 3.35Å; W344-V348 PolarHBondContact O-N 3.34Å; K345-V348 PolarHBondContact O-N 2.95Å; K345-V348 VanDerWaalsContact O-N 3.12Å; V348-L350 VanDerWaalsContact C-N 3.34Å; V348-L350 PolarHBondContact O-N 2.8Å; V348-A351 PolarHBondContact O-N 3.27Å; V348-E352 WeakPolarHBondContact CG1-OE1 3.48Å; V348-E352 WeakPolarHBondContact O-CG 3.49Å; V348-E352 PolarHBondContact O-N 2.89Å
349	V	91	Very high	89.4	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.012	23%	0.234	C	C	.	.	H	α-helix	trans	-57.8	-47.2	177.8	179.1	0	0	0	0	111.1	K345 A351 E352 E353 Q486 Q490 A494	K345-V349 WeakPolarHBondContact O-CG2 3.38Å; K345-V349 PolarHBondContact O-N 3.47Å; V349-A351 VanDerWaalsContact C-N 3.34Å; V349-A351 PolarHBondContact O-N 3.47Å; V349-E352 PolarHBondContact O-N 3.22Å; V349-E353 WeakPolarHBondContact O-CB 3.38Å; V349-E353 PolarHBondContact O-N 3.22Å; V349-Q486 PolarHBondContact O-NE2 3.37Å; V349-Q490 HydrophobicContact CG2-CB 4.1Å; V349-A494 HydrophobicContact CG2-CB 3.4Å; V349-A494 VanDerWaalsContact CG2-CB 3.4Å
350	L	92.1	Very high	90.6	Very high	23 Å²	23	44 Å²	44	12%	0.12	22%	0.223	C	C	.	.	H	α-helix	trans	-64.9	-38	-178.5	-172.4	67.6	0	0	0	111.8	C346 V348 A354 L428 R432 V435	C346-L350 WeakPolarHBondContact O-CB 3.42Å; C346-L350 PolarHBondContact O-N 3.42Å; V348-L350 VanDerWaalsContact C-N 3.34Å; V348-L350 PolarHBondContact O-N 2.8Å; L350-A354 VanDerWaalsContact O-CB 3.27Å; L350-A354 WeakPolarHBondContact O-CB 3.45Å; L350-A354 PolarHBondContact O-N 3.3Å; L350-L428 HydrophobicContact CD2-CD2 4.05Å; L350-R432 HydrophobicContact CD1-CB 4.4Å; L350-V435 HydrophobicContact CD1-CB 3.72Å; L350-V435 HydrophobicContact CD1-CG1 4.14Å; L350-V435 HydrophobicContact CD1-CG2 3.58Å; L350-V435 HydrophobicContact CG-CG2 4.05Å
351	A	93.5	Very high	91.6	Very high	43 Å²	43	38.2 Å²	38.2	36%	0.355	20%	0.199	S	C	.	.	H	α-helix	trans	-70	-43.5	175.9	0	0	0	0	0	112.5	I347 V348 V349 E353 A354 I355	I347-A351 WeakPolarHBondContact O-CB 3.1Å; I347-A351 PolarHBondContact O-N 3.3Å; V348-A351 PolarHBondContact O-N 3.27Å; V349-A351 VanDerWaalsContact C-N 3.34Å; V349-A351 PolarHBondContact O-N 3.47Å; A351-E353 VanDerWaalsContact C-N 3.32Å; A351-E353 PolarHBondContact O-N 3.42Å; A351-A354 PolarHBondContact O-N 2.74Å; A351-I355 WeakPolarHBondContact O-CB 3.45Å; A351-I355 WeakPolarHBondContact O-CD1 3.24Å; A351-I355 WeakPolarHBondContact O-CG1 3.36Å; A351-I355 PolarHBondContact O-N 2.75Å
352	E	93.9	Very high	92.4	Very high	11 Å²	11	38.1 Å²	38.1	5%	0.051	20%	0.201	C	C	.	.	H	α-helix	trans	-55.7	-48.4	173.2	-79.4	176.7	-131.1	0	0	111	I323 L326 V348 V349 I355 L356 Q490	I323-E352 HydrophobicContact CD1-CB 4.01Å; I323-E352 HydrophobicContact CD1-CG 3.69Å; I323-E352 WeakPolarHBondContact CD1-OE2 3.37Å; L326-E352 WeakPolarHBondContact CB-OE1 3.29Å; L326-E352 HydrophobicContact CD1-CG 3.87Å; L326-E352 WeakPolarHBondContact CD1-OE1 3.43Å; V348-E352 WeakPolarHBondContact CG1-OE1 3.48Å; V348-E352 WeakPolarHBondContact O-CG 3.49Å; V348-E352 PolarHBondContact O-N 2.89Å; V349-E352 PolarHBondContact O-N 3.22Å; E352-I355 PolarHBondContact O-N 2.75Å; E352-L356 WeakPolarHBondContact O-CB 3.46Å; E352-L356 VanDerWaalsContact O-CG 3.24Å; E352-L356 WeakPolarHBondContact O-CG 3.24Å; E352-L356 PolarHBondContact O-N 3.33Å; E352-Q490 PolarHBondContact OE1-NE2 3.07Å; E352-Q490 PolarHBondContact OE2-NE2 3.18Å; E352-Q490 PolarHBondContact OE2-OE1 3.06Å
353	E	93.1	Very high	93.1	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-70.1	-37.3	-175.9	-167.7	157.9	-137.3	0	0	112.4	V349 A351 S357 R432 V435 L483 K487	V349-E353 WeakPolarHBondContact O-CB 3.38Å; V349-E353 PolarHBondContact O-N 3.22Å; A351-E353 VanDerWaalsContact C-N 3.32Å; A351-E353 PolarHBondContact O-N 3.42Å; E353-S357 WeakPolarHBondContact O-CB 3.34Å; E353-S357 PolarHBondContact O-N 3.4Å; E353-S357 PolarHBondContact O-OG 3.31Å; E353-R432 IonicContact OE2-CZ 2.69Å; E353-R432 IonicContact OE2-NH1 3.77Å; E353-R432 PolarHBondContact OE2-NH1 2.96Å; E353-R432 IonicContact OE2-NH2 3.97Å; E353-R432 PolarHBondContact OE2-NH2 3.35Å; E353-V435 HydrophobicContact CB-CG1 3.96Å; E353-V435 HydrophobicContact CG-CG1 3.8Å; E353-L483 HydrophobicContact CG-CD2 4.48Å; E353-K487 VanDerWaalsContact OE1-CE 3.27Å; E353-K487 WeakPolarHBondContact OE1-CE 3.33Å; E353-K487 IonicContact OE1-NZ 3.91Å; E353-K487 PolarHBondContact OE1-NZ 2.95Å
354	A	94.7	Very high	93.7	Very high	33 Å²	33	39.1 Å²	39.1	27%	0.273	20%	0.204	S	C	.	.	H	α-helix	trans	-62	-47.6	171.2	0	0	0	0	0	112.2	L350 A351 S357 L358 V435	L350-A354 VanDerWaalsContact O-CB 3.27Å; L350-A354 WeakPolarHBondContact O-CB 3.45Å; L350-A354 PolarHBondContact O-N 3.3Å; A351-A354 PolarHBondContact O-N 2.74Å; A354-S357 PolarHBondContact O-N 3.48Å; A354-L358 WeakPolarHBondContact O-CB 3.43Å; A354-L358 PolarHBondContact O-N 2.97Å; A354-V435 HydrophobicContact CB-CG1 4.38Å; A354-V435 HydrophobicContact CB-CG2 3.73Å
355	I	95.5	Very high	94.1	Very high	93 Å²	93	38.6 Å²	38.6	48%	0.477	21%	0.209	S	C	.	.	H	α-helix	trans	-66.7	-45.2	-178.4	-70.9	167	0	0	0	110.6	A351 E352 L358 F359	A351-I355 WeakPolarHBondContact O-CB 3.45Å; A351-I355 WeakPolarHBondContact O-CD1 3.24Å; A351-I355 WeakPolarHBondContact O-CG1 3.36Å; A351-I355 PolarHBondContact O-N 2.75Å; E352-I355 PolarHBondContact O-N 2.75Å; I355-L358 PolarHBondContact O-N 3.47Å; I355-F359 HydrophobicContact CG2-CD2 3.68Å; I355-F359 HydrophobicContact CG2-CE2 3.71Å; I355-F359 VanDerWaalsContact O-CD2 3.3Å; I355-F359 WeakPolarHBondContact O-CD2 3.01Å; I355-F359 PolarHBondContact O-N 3.47Å
356	L	95.7	Very high	94.3	Very high	7 Å²	7	43 Å²	43	4%	0.037	23%	0.23	C	C	.	.	H	α-helix	trans	-63.4	-39.4	176.1	-72.5	171.9	0	0	0	112	T319 I323 E352 G360 I479 A482 L483	T319-L356 HydrophobicContact CG2-CD2 3.44Å; T319-L356 VanDerWaalsContact CG2-CD2 3.44Å; I323-L356 HydrophobicContact CD1-CD1 3.88Å; I323-L356 HydrophobicContact CD1-CG 4.47Å; I323-L356 HydrophobicContact CG1-CD1 4.18Å; E352-L356 WeakPolarHBondContact O-CB 3.46Å; E352-L356 VanDerWaalsContact O-CG 3.24Å; E352-L356 WeakPolarHBondContact O-CG 3.24Å; E352-L356 PolarHBondContact O-N 3.33Å; L356-G360 WeakPolarHBondContact O-CA 3.42Å; L356-G360 PolarHBondContact O-N 2.92Å; L356-I479 HydrophobicContact CB-CG2 4.48Å; L356-I479 HydrophobicContact CD2-CG2 4.37Å; L356-A482 HydrophobicContact CD1-CB 4.25Å; L356-A482 HydrophobicContact CD2-CB 4.03Å; L356-L483 HydrophobicContact CB-CD2 3.7Å; L356-L483 HydrophobicContact CB-CG 4.01Å; L356-L483 HydrophobicContact CD1-CD2 3.76Å; L356-L483 HydrophobicContact CD1-CG 4.02Å; L356-L483 HydrophobicContact CG-CD2 4.38Å
357	S	95.1	Very high	94.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.7	-43.9	176.3	-63.4	0	0	0	0	112.1	E353 A354 G360 I361	E353-S357 WeakPolarHBondContact O-CB 3.34Å; E353-S357 PolarHBondContact O-N 3.4Å; E353-S357 PolarHBondContact O-OG 3.31Å; A354-S357 PolarHBondContact O-N 3.48Å; S357-G360 WeakPolarHBondContact O-CA 3.42Å; S357-G360 PolarHBondContact O-N 3.39Å; S357-I361 WeakPolarHBondContact O-CG1 3.45Å; S357-I361 PolarHBondContact O-N 3.44Å
358	L	95.7	Very high	94.7	Very high	120 Å²	120	39.7 Å²	39.7	63%	0.628	21%	0.212	S	C	*	.	H	α-helix	trans	-63.8	-47.6	177.8	-178.1	62.6	0	0	0	112.1	A354 I355 G360 I361 L362	A354-L358 WeakPolarHBondContact O-CB 3.43Å; A354-L358 PolarHBondContact O-N 2.97Å; I355-L358 PolarHBondContact O-N 3.47Å; L358-G360 VanDerWaalsContact C-N 3.28Å; L358-G360 PolarHBondContact O-N 2.75Å; L358-I361 PolarHBondContact O-N 3.34Å; L358-L362 PolarHBondContact O-N 2.94Å; L358-L362 VanDerWaalsContact O-N 3.08Å
359	F	96	Very high	94.8	Very high	82 Å²	82	44.8 Å²	44.8	36%	0.36	23%	0.228	S	C	.	.	H	α-helix	trans	-63.1	-36.7	172.2	-80.8	-60.8	0	0	0	111.6	F315 I355 L362 F363 I479	F315-F359 HydrophobicContact CE2-CE1 4.46Å; F315-F359 HydrophobicContact CZ-CB 4.47Å; F315-F359 HydrophobicContact CZ-CD1 4.11Å; F315-F359 HydrophobicContact CZ-CD2 4.32Å; F315-F359 HydrophobicContact CZ-CE1 4.44Å; F315-F359 HydrophobicContact CZ-CG 4.07Å; I355-F359 HydrophobicContact CG2-CD2 3.68Å; I355-F359 HydrophobicContact CG2-CE2 3.71Å; I355-F359 VanDerWaalsContact O-CD2 3.3Å; I355-F359 WeakPolarHBondContact O-CD2 3.01Å; I355-F359 PolarHBondContact O-N 3.47Å; F359-L362 HydrophobicContact CD1-CD2 4.4Å; F359-L362 PolarHBondContact O-N 2.94Å; F359-F363 HydrophobicContact CB-CD2 4.32Å; F359-F363 HydrophobicContact CD1-CE2 4.1Å; F359-F363 WeakPolarHBondContact O-CB 3.26Å; F359-F363 VanDerWaalsContact O-CD2 3.27Å; F359-F363 WeakPolarHBondContact O-CD2 3.16Å; F359-F363 PolarHBondContact O-N 3.2Å; F359-I479 HydrophobicContact CB-CD1 4Å
360	G	96.2	Very high	94.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.4	-48.4	174.6	0	0	0	0	0	112.3	L356 S357 L358 V364	L356-G360 WeakPolarHBondContact O-CA 3.42Å; L356-G360 PolarHBondContact O-N 2.92Å; S357-G360 WeakPolarHBondContact O-CA 3.42Å; S357-G360 PolarHBondContact O-N 3.39Å; L358-G360 VanDerWaalsContact C-N 3.28Å; L358-G360 PolarHBondContact O-N 2.75Å; G360-V364 WeakPolarHBondContact O-CB 3.06Å; G360-V364 VanDerWaalsContact O-CG2 3.26Å; G360-V364 WeakPolarHBondContact O-CG2 3.31Å; G360-V364 PolarHBondContact O-N 2.93Å
361	I	97	Very high	94.7	Very high	27 Å²	27	46.4 Å²	46.4	14%	0.138	24%	0.235	C	C	.	.	H	α-helix	trans	-60.6	-49.7	175.8	-67.2	167.2	0	0	0	110.2	S357 L358 F363 V364 L365 I441 Q442 L445	S357-I361 WeakPolarHBondContact O-CG1 3.45Å; S357-I361 PolarHBondContact O-N 3.44Å; L358-I361 PolarHBondContact O-N 3.34Å; I361-F363 PolarHBondContact O-N 3.45Å; I361-V364 PolarHBondContact O-N 3.32Å; I361-L365 HydrophobicContact CG2-CD1 3.87Å; I361-L365 HydrophobicContact CG2-CG 4.44Å; I361-L365 WeakPolarHBondContact O-CG 3.38Å; I361-L365 PolarHBondContact O-N 3.08Å; I361-I441 HydrophobicContact CD1-CG2 4.13Å; I361-Q442 HydrophobicContact CD1-CB 4.32Å; I361-Q442 HydrophobicContact CG1-CB 3.73Å; I361-Q442 HydrophobicContact CG1-CG 3.96Å; I361-L445 HydrophobicContact CG2-CD1 4.15Å
362	L	96.2	Very high	94.5	Very high	85 Å²	85	51.7 Å²	51.7	45%	0.445	25%	0.245	S	C	.	.	H	α-helix	trans	-58.1	-47.8	-179.5	179	62	0	0	0	112.3	L358 F359 L365 M366	L358-L362 PolarHBondContact O-N 2.94Å; L358-L362 VanDerWaalsContact O-N 3.08Å; F359-L362 HydrophobicContact CD1-CD2 4.4Å; F359-L362 PolarHBondContact O-N 2.94Å; L362-L365 PolarHBondContact O-N 3.36Å; L362-M366 HydrophobicContact CD1-CE 4.31Å; L362-M366 HydrophobicContact CD1-CG 4.41Å; L362-M366 WeakPolarHBondContact O-CB 3.42Å; L362-M366 VanDerWaalsContact O-CG 3.26Å; L362-M366 WeakPolarHBondContact O-CG 2.96Å; L362-M366 PolarHBondContact O-N 2.94Å
363	F	96.2	Very high	94.1	Very high	39 Å²	39	59.6 Å²	59.6	17%	0.171	28%	0.275	C	S	.	.	H	α-helix	trans	-72.4	-30.3	-179.7	-79.2	-69.2	0	0	0	113.2	F315 F359 I361 A367 A475 L476 I479	F315-F363 AromaticContact CD1-CE2 3.99Å; F315-F363 HydrophobicContact CD1-CE2 3.99Å; F315-F363 HydrophobicContact CD1-CZ 4.18Å; F315-F363 HydrophobicContact CD2-CZ 4.45Å; F315-F363 HydrophobicContact CE1-CD2 4.28Å; F315-F363 AromaticContact CE1-CE2 3.54Å; F315-F363 HydrophobicContact CE1-CE2 3.54Å; F315-F363 HydrophobicContact CE1-CZ 4.18Å; F315-F363 HydrophobicContact CE2-CE2 4.15Å; F315-F363 HydrophobicContact CE2-CZ 4.43Å; F315-F363 HydrophobicContact CG-CE2 4.49Å; F315-F363 HydrophobicContact CG-CZ 4.34Å; F315-F363 AromaticContact CZ-CE2 3.64Å; F315-F363 HydrophobicContact CZ-CE2 3.64Å; F315-F363 HydrophobicContact CZ-CZ 4.31Å; F359-F363 HydrophobicContact CB-CD2 4.32Å; F359-F363 HydrophobicContact CD1-CE2 4.1Å; F359-F363 WeakPolarHBondContact O-CB 3.26Å; F359-F363 VanDerWaalsContact O-CD2 3.27Å; F359-F363 WeakPolarHBondContact O-CD2 3.16Å; F359-F363 PolarHBondContact O-N 3.2Å; I361-F363 PolarHBondContact O-N 3.45Å; F363-A367 WeakPolarHBondContact O-CB 3.43Å; F363-A367 PolarHBondContact O-N 3.13Å; F363-A475 HydrophobicContact CD1-CB 3.71Å; F363-A475 HydrophobicContact CD2-CB 4.08Å; F363-A475 HydrophobicContact CE1-CB 3.7Å; F363-A475 HydrophobicContact CE2-CB 4.09Å; F363-A475 HydrophobicContact CG-CB 3.9Å; F363-A475 HydrophobicContact CZ-CB 3.9Å; F363-L476 HydrophobicContact CB-CD2 3.64Å; F363-L476 HydrophobicContact CB-CG 3.82Å; F363-I479 HydrophobicContact CD2-CD1 3.68Å; F363-I479 HydrophobicContact CE2-CD1 4.35Å; F363-I479 HydrophobicContact CG-CD1 4.47Å
364	V	96.7	Very high	93.8	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.024	28%	0.276	C	S	.	.	H	α-helix	trans	-64	-48.6	170.8	168.5	0	0	0	0	110.7	G360 I361 M366 A367 F368 L445 Q446 F449 L476	G360-V364 WeakPolarHBondContact O-CB 3.06Å; G360-V364 VanDerWaalsContact O-CG2 3.26Å; G360-V364 WeakPolarHBondContact O-CG2 3.31Å; G360-V364 PolarHBondContact O-N 2.93Å; I361-V364 PolarHBondContact O-N 3.32Å; V364-M366 PolarHBondContact O-N 2.97Å; V364-A367 PolarHBondContact O-N 2.61Å; V364-F368 WeakPolarHBondContact O-CB 3.48Å; V364-F368 PolarHBondContact O-N 3.46Å; V364-L445 HydrophobicContact CG1-CB 3.9Å; V364-Q446 HydrophobicContact CG2-CB 3.82Å; V364-Q446 HydrophobicContact CG2-CG 4.12Å; V364-F449 HydrophobicContact CG1-CB 3.93Å; V364-F449 HydrophobicContact CG1-CG 4.47Å; V364-L476 HydrophobicContact CG2-CD1 3.89Å; V364-L476 HydrophobicContact CG2-CD2 3.69Å; V364-L476 HydrophobicContact CG2-CG 4.46Å
365	L	96.3	Very high	93.3	Very high	92 Å²	92	58.5 Å²	58.5	48%	0.482	26%	0.264	S	S	.	.	H	α-helix	trans	-62	-43.2	178.9	-67.2	172.9	0	0	0	111.5	I361 L362 F368 Y369	I361-L365 HydrophobicContact CG2-CD1 3.87Å; I361-L365 HydrophobicContact CG2-CG 4.44Å; I361-L365 WeakPolarHBondContact O-CG 3.38Å; I361-L365 PolarHBondContact O-N 3.08Å; L362-L365 PolarHBondContact O-N 3.36Å; L365-F368 PolarHBondContact O-N 3.07Å; L365-Y369 WeakPolarHBondContact O-CB 3.38Å; L365-Y369 PolarHBondContact O-N 3.42Å
366	M	94.4	Very high	92.7	Very high	94 Å²	94	59.7 Å²	59.7	46%	0.463	27%	0.266	S	S	.	.	H	α-helix	trans	-63	-41	174.1	-75.2	-70.7	-179.4	0	0	112.8	L362 V364 Q370	L362-M366 HydrophobicContact CD1-CE 4.31Å; L362-M366 HydrophobicContact CD1-CG 4.41Å; L362-M366 WeakPolarHBondContact O-CB 3.42Å; L362-M366 VanDerWaalsContact O-CG 3.26Å; L362-M366 WeakPolarHBondContact O-CG 2.96Å; L362-M366 PolarHBondContact O-N 2.94Å; V364-M366 PolarHBondContact O-N 2.97Å; M366-Q370 VanDerWaalsContact O-CG 3.28Å; M366-Q370 WeakPolarHBondContact O-CG 3.28Å; M366-Q370 PolarHBondContact O-N 3.49Å; M366-Q370 PolarHBondContact O-NE2 3.46Å; M366-Q370 VanDerWaalsContact O-NE2 3.12Å
367	A	94	Very high	91.9	Very high	0 Å²	0	60 Å²	60	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.3	-49.2	177.4	0	0	0	0	0	110.8	F363 V364 Y369 Q370 T371 F449 L476	F363-A367 WeakPolarHBondContact O-CB 3.43Å; F363-A367 PolarHBondContact O-N 3.13Å; V364-A367 PolarHBondContact O-N 2.61Å; A367-Y369 PolarHBondContact O-N 2.89Å; A367-Q370 PolarHBondContact O-N 3.26Å; A367-Q370 VanDerWaalsContact O-N 3.16Å; A367-T371 WeakPolarHBondContact O-CG2 3.45Å; A367-T371 PolarHBondContact O-N 3.07Å; A367-T371 PolarHBondContact O-OG1 2.79Å; A367-T371 VanDerWaalsContact O-OG1 3.08Å; A367-F449 HydrophobicContact CB-CD2 4.16Å; A367-F449 HydrophobicContact CB-CE1 4.08Å; A367-F449 HydrophobicContact CB-CE2 3.52Å; A367-F449 HydrophobicContact CB-CZ 3.49Å; A367-F449 VanDerWaalsContact CB-CZ 3.49Å; A367-L476 HydrophobicContact CB-CD1 4.15Å
368	F	93.4	Very high	90.9	Very high	35 Å²	35	64.4 Å²	64.4	15%	0.154	29%	0.291	C	S	.	.	H	α-helix	trans	-61	-41.3	179	-171.7	-116	0	0	0	112.4	V364 L365 Q370 R372 Y448 F449 D452	V364-F368 WeakPolarHBondContact O-CB 3.48Å; V364-F368 PolarHBondContact O-N 3.46Å; L365-F368 PolarHBondContact O-N 3.07Å; F368-Q370 PolarHBondContact O-N 3.21Å; F368-R372 VanDerWaalsContact CE1-CZ 3.44Å; F368-R372 VanDerWaalsContact O-CB 3.28Å; F368-R372 WeakPolarHBondContact O-CB 3.31Å; F368-R372 WeakPolarHBondContact O-CG 3.21Å; F368-R372 PolarHBondContact O-N 2.97Å; F368-R372 VanDerWaalsContact O-N 3.1Å; F368-Y448 HydrophobicContact CE2-CD1 4.37Å; F368-Y448 AromaticContact CE2-CE1 3.93Å; F368-Y448 HydrophobicContact CE2-CE1 3.93Å; F368-Y448 HydrophobicContact CZ-CD1 4.46Å; F368-Y448 AromaticContact CZ-CE1 3.76Å; F368-Y448 HydrophobicContact CZ-CE1 3.76Å; F368-F449 HydrophobicContact CB-CD2 3.94Å; F368-F449 HydrophobicContact CD2-CD2 4.2Å; F368-D452 HydrophobicContact CE2-CB 4.26Å; F368-D452 WeakPolarHBondContact CE2-OD2 3.45Å
369	Y	93.2	Very high	89.7	Confident	150 Å²	150	59 Å²	59	59%	0.588	26%	0.264	S	S	*	.	H	α-helix	trans	-61.6	-41.5	174.2	-179	-91.9	0	0	0	112.4	L365 A367	L365-Y369 WeakPolarHBondContact O-CB 3.38Å; L365-Y369 PolarHBondContact O-N 3.42Å; A367-Y369 PolarHBondContact O-N 2.89Å
370	Q	92.1	Very high	88.5	Confident	59 Å²	59	55.3 Å²	55.3	28%	0.276	25%	0.248	S	C	.	.	H	α-helix	trans	-76.7	-43.7	-178.8	-69.5	172.8	60.3	0	0	113.1	M366 A367 F368 R372 G469 S472	M366-Q370 VanDerWaalsContact O-CG 3.28Å; M366-Q370 WeakPolarHBondContact O-CG 3.28Å; M366-Q370 PolarHBondContact O-N 3.49Å; M366-Q370 PolarHBondContact O-NE2 3.46Å; M366-Q370 VanDerWaalsContact O-NE2 3.12Å; A367-Q370 PolarHBondContact O-N 3.26Å; A367-Q370 VanDerWaalsContact O-N 3.16Å; F368-Q370 PolarHBondContact O-N 3.21Å; Q370-R372 VanDerWaalsContact C-N 3.29Å; Q370-R372 PolarHBondContact O-N 3.11Å; Q370-G469 VanDerWaalsContact OE1-CA 3.25Å; Q370-S472 PolarHBondContact NE2-OG 3Å
371	T	90.1	Very high	86.9	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-71.3	-22	179.7	60.8	0	0	0	0	112.7	A367 R373 L374 F449 R456 I473 L537	A367-T371 WeakPolarHBondContact O-CG2 3.45Å; A367-T371 PolarHBondContact O-N 3.07Å; A367-T371 PolarHBondContact O-OG1 2.79Å; A367-T371 VanDerWaalsContact O-OG1 3.08Å; T371-R373 PolarHBondContact O-N 3.15Å; T371-L374 HydrophobicContact CG2-CD1 4.37Å; T371-L374 VanDerWaalsContact O-CB 3.25Å; T371-L374 WeakPolarHBondContact O-CB 3.46Å; T371-L374 PolarHBondContact O-N 3.21Å; T371-F449 HydrophobicContact CG2-CE2 4Å; T371-F449 HydrophobicContact CG2-CZ 4.28Å; T371-R456 WeakPolarHBondContact O-CD 3.43Å; T371-I473 HydrophobicContact CG2-CD1 4.25Å; T371-L537 HydrophobicContact CG2-CD1 4.26Å
372	R	89.3	Confident	85.5	Confident	153 Å²	153	58.9 Å²	58.9	58%	0.577	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-22.3	173.8	-96.5	173.3	165.2	-155.6	-6.9	114.8	F368 Q370 L374 R456	F368-R372 VanDerWaalsContact CE1-CZ 3.44Å; F368-R372 VanDerWaalsContact O-CB 3.28Å; F368-R372 WeakPolarHBondContact O-CB 3.31Å; F368-R372 WeakPolarHBondContact O-CG 3.21Å; F368-R372 PolarHBondContact O-N 2.97Å; F368-R372 VanDerWaalsContact O-N 3.1Å; Q370-R372 VanDerWaalsContact C-N 3.29Å; Q370-R372 PolarHBondContact O-N 3.11Å; R372-L374 VanDerWaalsContact C-N 3.33Å; R372-R456 PolarHBondContact O-NH1 3.48Å
373	R	84.3	Confident	84.4	Confident	178 Å²	178	55 Å²	55	67%	0.672	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-11.3	174.8	-60	-171.6	-178.3	-157.4	0.7	114.4	T371 Q463	T371-R373 PolarHBondContact O-N 3.15Å; R373-Q463 PolarHBondContact O-NE2 3.01Å
374	L	87.2	Confident	83.4	Confident	6 Å²	6	58.7 Å²	58.7	3%	0.031	25%	0.254	C	S	.	.	S	Bend	trans	-78.7	158.1	175.6	-63.1	168.9	0	0	0	111.4	T371 R372 R456 Q463 P468 L537 Y538	T371-L374 HydrophobicContact CG2-CD1 4.37Å; T371-L374 VanDerWaalsContact O-CB 3.25Å; T371-L374 WeakPolarHBondContact O-CB 3.46Å; T371-L374 PolarHBondContact O-N 3.21Å; R372-L374 VanDerWaalsContact C-N 3.33Å; L374-R456 HydrophobicContact CB-CB 4.22Å; L374-R456 HydrophobicContact CB-CG 4.41Å; L374-R456 PolarHBondContact O-NH1 3.23Å; L374-Q463 HydrophobicContact CD2-CB 4.27Å; L374-P468 HydrophobicContact CD2-CG 4.39Å; L374-L537 HydrophobicContact CD1-CB 4.22Å; L374-L537 HydrophobicContact CD1-CD2 3.91Å; L374-Y538 HydrophobicContact CD1-CE1 4.44Å
375	K	84.3	Confident	82.3	Confident	4 Å²	4	60.8 Å²	60.8	2%	0.017	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	142.2	-177.1	170.1	175.7	175.4	-163.8	0	111.2	R456 C457 D459 E541	K375-R456 CarbonylContact O-C 3.58Å; K375-R456 VanDerWaalsContact O-CA 3.31Å; K375-R456 WeakPolarHBondContact O-CA 3.27Å; K375-C457 PolarHBondContact N-O 3.49Å; K375-C457 PolarHBondContact O-N 3.48Å; K375-D459 HydrophobicContact CB-CB 3.95Å; K375-D459 HydrophobicContact CD-CB 3.63Å; K375-D459 WeakPolarHBondContact CD-OD1 3.37Å; K375-D459 WeakPolarHBondContact CE-OD1 3.48Å; K375-D459 HydrophobicContact CG-CB 4.48Å; K375-D459 IonicContact NZ-OD1 2.71Å; K375-D459 PolarHBondContact NZ-OD1 3.47Å; K375-E541 WeakPolarHBondContact CE-OE1 3.35Å; K375-E541 IonicContact NZ-OE1 2.71Å; K375-E541 PolarHBondContact NZ-OE1 3.24Å; K375-E541 IonicContact NZ-OE2 3.71Å; K375-E541 PolarHBondContact NZ-OE2 3.39Å
376	F	84.3	Confident	81.6	Confident	118 Å²	118	56.9 Å²	56.9	52%	0.518	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	132.5	168	-73.5	-69.8	0	0	0	111.3	D452 Y455 R456	F376-D452 WeakPolarHBondContact CE1-OD1 3.4Å; F376-Y455 CarbonylContact C-O 3.58Å; F376-Y455 VanDerWaalsContact CA-O 3.24Å; F376-Y455 WeakPolarHBondContact CA-O 3.38Å; F376-R456 HydrophobicContact CD1-CG 4.42Å; F376-R456 HydrophobicContact CE1-CG 4.43Å
377	S	78.8	Confident	81.2	Confident	13 Å²	13	53.3 Å²	53.3	9%	0.091	23%	0.229	C	C	.	.			trans	-144.3	166.7	-179.1	-156.5	0	0	0	0	110.7	Y455 E541	S377-Y455 PolarHBondContact N-O 2.87Å; S377-E541 PolarHBondContact OG-OE1 3.24Å; S377-E541 VanDerWaalsContact OG-OE1 3.12Å
378	I	74.1	Confident	80.7	Confident	93 Å²	93	60.4 Å²	60.4	48%	0.477	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-74.7	129.8	-173	-61.8	177.9	0	0	0	110.3	R544 F545 M548	I378-R544 VanDerWaalsContact C-NH2 3.32Å; I378-R544 PolarHBondContact O-NE 3.2Å; I378-R544 PolarHBondContact O-NH2 2.98Å; I378-F545 HydrophobicContact CD1-CE1 4.39Å; I378-M548 HydrophobicContact CB-CE 4.1Å; I378-M548 HydrophobicContact CB-SD 4.28Å; I378-M548 HydrophobicContact CG2-CE 4.18Å; I378-M548 HydrophobicContact CG2-SD 3.72Å
379	A	69.8	Low	80.2	Confident	8 Å²	8	61.4 Å²	61.4	7%	0.066	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-60.6	139.8	178.6	0	0	0	0	0	112.2	R384 Y455	A379-R384 HydrophobicContact CB-CG 4.45Å; A379-Y455 HydrophobicContact CB-CD1 3.91Å; A379-Y455 HydrophobicContact CB-CE1 3.42Å; A379-Y455 VanDerWaalsContact CB-CE1 3.42Å; A379-Y455 HydrophobicContact CB-CE2 4.36Å
380	T	70	Confident	80	Confident	4 Å²	4	54.4 Å²	54.4	3%	0.025	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-69.3	162.1	176.8	73.1	0	0	0	0	110.9	Q382 S383 R384 R544	T380-Q382 VanDerWaalsContact C-N 3.26Å; T380-Q382 PolarHBondContact O-N 3.43Å; T380-S383 PolarHBondContact O-N 2.8Å; T380-S383 PolarHBondContact OG1-N 2.71Å; T380-S383 VanDerWaalsContact OG1-N 3.08Å; T380-S383 PolarHBondContact OG1-OG 2.94Å; T380-R384 PolarHBondContact O-N 3.12Å; T380-R544 HydrophobicContact CG2-CG 4.09Å
381	R	62.4	Low	79.9	Confident	66 Å²	66	56.2 Å²	56.2	25%	0.249	24%	0.244	C	C	.	.	H	α-helix	trans	-56.2	-43.7	174	177.8	178.3	167.9	-175.3	-8.9	111.2	M278 R384 V385	M278-R381 PolarHBondContact SD-NH2 2.86Å; R381-R384 PolarHBondContact O-N 3.38Å; R381-V385 PolarHBondContact O-N 2.84Å
382	Q	68.7	Low	79.8	Confident	35 Å²	35	58.7 Å²	58.7	16%	0.164	26%	0.259	C	S	.	.	H	α-helix	trans	-59.9	-48.7	177.6	-175.2	52.3	41.1	0	0	111.1	T380 R384 V385 D386	T380-Q382 VanDerWaalsContact C-N 3.26Å; T380-Q382 PolarHBondContact O-N 3.43Å; Q382-R384 PolarHBondContact O-N 2.77Å; Q382-R384 VanDerWaalsContact O-N 3.11Å; Q382-V385 WeakPolarHBondContact O-CB 3.07Å; Q382-V385 PolarHBondContact O-N 3.11Å; Q382-D386 WeakPolarHBondContact CG-OD2 3.48Å; Q382-D386 VanDerWaalsContact NE2-CG 3.34Å; Q382-D386 PolarHBondContact NE2-OD1 2.76Å; Q382-D386 PolarHBondContact NE2-OD2 3.33Å; Q382-D386 PolarHBondContact O-N 3.13Å
383	S	73.7	Confident	79.7	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-55	-32.8	177.2	-55.3	0	0	0	0	113.9	T380 E387	T380-S383 PolarHBondContact O-N 2.8Å; T380-S383 PolarHBondContact OG1-N 2.71Å; T380-S383 VanDerWaalsContact OG1-N 3.08Å; T380-S383 PolarHBondContact OG1-OG 2.94Å; S383-E387 WeakPolarHBondContact O-CB 3.29Å; S383-E387 PolarHBondContact O-N 3.4Å
384	R	73.3	Confident	80	Confident	117 Å²	117	45 Å²	45	44%	0.442	21%	0.209	S	C	.	.	H	α-helix	trans	-72.2	-32.8	176	-70.3	-168.2	-69.4	155.1	-4.3	113.3	A379 T380 R381 Q382 F388	A379-R384 HydrophobicContact CB-CG 4.45Å; T380-R384 PolarHBondContact O-N 3.12Å; R381-R384 PolarHBondContact O-N 3.38Å; Q382-R384 PolarHBondContact O-N 2.77Å; Q382-R384 VanDerWaalsContact O-N 3.11Å; R384-F388 PolarHBondContact O-N 2.83Å; R384-F388 VanDerWaalsContact O-N 3.13Å
385	V	74.9	Confident	80.2	Confident	48 Å²	48	50.3 Å²	50.3	29%	0.291	23%	0.232	S	C	.	.	H	α-helix	trans	-70.9	-45	173.7	-179.3	0	0	0	0	109.5	R381 Q382 E387 F388 L389	R381-V385 PolarHBondContact O-N 2.84Å; Q382-V385 WeakPolarHBondContact O-CB 3.07Å; Q382-V385 PolarHBondContact O-N 3.11Å; V385-E387 VanDerWaalsContact C-N 3.34Å; V385-E387 PolarHBondContact O-N 3.41Å; V385-F388 PolarHBondContact O-N 3.2Å; V385-L389 VanDerWaalsContact O-CB 3.32Å; V385-L389 WeakPolarHBondContact O-CB 3.41Å; V385-L389 PolarHBondContact O-N 3.39Å
386	D	81.3	Confident	80.4	Confident	10 Å²	10	53.6 Å²	53.6	5%	0.053	25%	0.247	C	C	.	.	H	α-helix	trans	-64.7	-35.7	177.2	-66.5	-49.6	0	0	0	112.6	Q382 L390 F454 H525 Q532	Q382-D386 WeakPolarHBondContact CG-OD2 3.48Å; Q382-D386 VanDerWaalsContact NE2-CG 3.34Å; Q382-D386 PolarHBondContact NE2-OD1 2.76Å; Q382-D386 PolarHBondContact NE2-OD2 3.33Å; Q382-D386 PolarHBondContact O-N 3.13Å; D386-L390 WeakPolarHBondContact O-CB 3.43Å; D386-L390 PolarHBondContact O-N 3.41Å; D386-F454 HydrophobicContact CB-CE2 4.37Å; D386-F454 HydrophobicContact CB-CZ 3.87Å; D386-H525 PolarHBondContact O-NE2 2.64Å; D386-H525 IonicContact OD1-CE1 3.61Å; D386-Q532 PolarHBondContact OD2-NE2 2.67Å; D386-Q532 PolarHBondContact OD2-OE1 3.03Å
387	E	85.8	Confident	80.7	Confident	20 Å²	20	48.1 Å²	48.1	9%	0.093	22%	0.223	C	C	.	.	H	α-helix	trans	-64.4	-47.7	172.9	-179.5	172.8	-165.2	0	0	112	S383 V385 L390 Y391 Q451 F454 Y455	S383-E387 WeakPolarHBondContact O-CB 3.29Å; S383-E387 PolarHBondContact O-N 3.4Å; V385-E387 VanDerWaalsContact C-N 3.34Å; V385-E387 PolarHBondContact O-N 3.41Å; E387-L390 PolarHBondContact O-N 2.93Å; E387-Y391 HydrophobicContact CG-CD2 4.02Å; E387-Y391 HydrophobicContact CG-CE2 3.77Å; E387-Y391 WeakPolarHBondContact O-CD2 3.37Å; E387-Y391 PolarHBondContact O-N 3.05Å; E387-Q451 HydrophobicContact CG-CG 4.46Å; E387-Q451 VanDerWaalsContact OE1-CG 3.3Å; E387-Q451 WeakPolarHBondContact OE1-CG 3.33Å; E387-Q451 PolarHBondContact OE1-NE2 3.39Å; E387-F454 HydrophobicContact CB-CD2 4.06Å; E387-F454 HydrophobicContact CB-CE2 4Å; E387-Y455 WeakPolarHBondContact OE2-CE2 3.46Å; E387-Y455 PolarHBondContact OE2-OH 3.42Å
388	F	84	Confident	81.3	Confident	149 Å²	149	48 Å²	48	65%	0.654	22%	0.223	S	C	*	.	H	α-helix	trans	-62.4	-44.2	175.6	176.1	-96.4	0	0	0	112.3	R384 V385 L390 Y391 T392	R384-F388 PolarHBondContact O-N 2.83Å; R384-F388 VanDerWaalsContact O-N 3.13Å; V385-F388 PolarHBondContact O-N 3.2Å; F388-L390 VanDerWaalsContact C-N 3.34Å; F388-Y391 PolarHBondContact O-N 3.02Å; F388-T392 PolarHBondContact O-N 3.49Å; F388-T392 PolarHBondContact O-OG1 2.95Å
389	L	82.8	Confident	82.1	Confident	56 Å²	56	46.4 Å²	46.4	29%	0.293	22%	0.215	S	C	.	.	H	α-helix	trans	-66.8	-36.8	179.2	-172	55.7	0	0	0	111.7	V385 T392 A393 F521	V385-L389 VanDerWaalsContact O-CB 3.32Å; V385-L389 WeakPolarHBondContact O-CB 3.41Å; V385-L389 PolarHBondContact O-N 3.39Å; L389-T392 PolarHBondContact O-N 3.48Å; L389-A393 WeakPolarHBondContact O-CB 3.48Å; L389-A393 PolarHBondContact O-N 3.37Å; L389-F521 HydrophobicContact CD1-CE1 3.77Å; L389-F521 HydrophobicContact CD1-CZ 3.76Å; L389-F521 HydrophobicContact CD2-CZ 4.04Å; L389-F521 HydrophobicContact CG-CE1 4.16Å; L389-F521 HydrophobicContact CG-CZ 3.82Å
390	L	88.4	Confident	83.1	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-62.9	-45	172.1	177.2	65.6	0	0	0	112	D386 E387 F388 A393 F394 T447 V450 Y522 H525 C526	D386-L390 WeakPolarHBondContact O-CB 3.43Å; D386-L390 PolarHBondContact O-N 3.41Å; E387-L390 PolarHBondContact O-N 2.93Å; F388-L390 VanDerWaalsContact C-N 3.34Å; L390-A393 PolarHBondContact O-N 3.01Å; L390-F394 WeakPolarHBondContact O-CB 3.32Å; L390-F394 PolarHBondContact O-N 3.06Å; L390-T447 HydrophobicContact CD2-CG2 4.26Å; L390-T447 HydrophobicContact CG-CG2 4.21Å; L390-V450 HydrophobicContact CD2-CB 3.98Å; L390-V450 HydrophobicContact CD2-CG1 3.61Å; L390-Y522 HydrophobicContact CD1-CD2 4.19Å; L390-Y522 HydrophobicContact CD1-CE2 3.79Å; L390-H525 PolarHBondContact N-NE2 2.96Å; L390-C526 WeakPolarHBondContact CD1-SG 3.4Å
391	Y	90.9	Very high	84.1	Confident	98 Å²	98	46.2 Å²	46.2	38%	0.384	21%	0.213	S	C	.	.	H	α-helix	trans	-64.6	-39.6	175.7	-81.2	-57.4	0	0	0	112.9	E387 F388 F394 F395 T447 Q451	E387-Y391 HydrophobicContact CG-CD2 4.02Å; E387-Y391 HydrophobicContact CG-CE2 3.77Å; E387-Y391 WeakPolarHBondContact O-CD2 3.37Å; E387-Y391 PolarHBondContact O-N 3.05Å; F388-Y391 PolarHBondContact O-N 3.02Å; Y391-F394 PolarHBondContact O-N 2.95Å; Y391-F395 PolarHBondContact O-N 3.29Å; Y391-T447 HydrophobicContact CE1-CG2 4.41Å; Y391-Q451 PolarHBondContact OH-NE2 3.26Å; Y391-Q451 PolarHBondContact OH-OE1 3.38Å
392	T	86.7	Confident	85.5	Confident	52 Å²	52	46.6 Å²	46.6	32%	0.319	22%	0.219	S	C	.	.	H	α-helix	trans	-62.4	-47.4	176.4	-53.9	0	0	0	0	110.7	F388 L389 F395 F396	F388-T392 PolarHBondContact O-N 3.49Å; F388-T392 PolarHBondContact O-OG1 2.95Å; L389-T392 PolarHBondContact O-N 3.48Å; T392-F395 PolarHBondContact O-N 3.16Å; T392-F396 HydrophobicContact CG2-CD2 4.5Å; T392-F396 HydrophobicContact CG2-CE2 4.21Å; T392-F396 VanDerWaalsContact O-CD2 3.27Å; T392-F396 WeakPolarHBondContact O-CD2 3.12Å; T392-F396 PolarHBondContact O-N 3.2Å
393	A	87.4	Confident	86.5	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-66.4	-41.5	177.7	0	0	0	0	0	112.2	L389 L390 F395 F396 A397 F521 Y522	L389-A393 WeakPolarHBondContact O-CB 3.48Å; L389-A393 PolarHBondContact O-N 3.37Å; L390-A393 PolarHBondContact O-N 3.01Å; A393-F395 VanDerWaalsContact C-N 3.33Å; A393-F395 PolarHBondContact O-N 3.4Å; A393-F396 PolarHBondContact O-N 2.83Å; A393-A397 WeakPolarHBondContact O-CB 3.3Å; A393-A397 PolarHBondContact O-N 3.23Å; A393-F521 HydrophobicContact CB-CD1 3.77Å; A393-F521 HydrophobicContact CB-CE1 3.86Å; A393-Y522 HydrophobicContact CB-CD2 4.27Å
394	F	92.1	Very high	87.2	Confident	43 Å²	43	45.5 Å²	45.5	19%	0.189	21%	0.214	C	C	.	.	H	α-helix	trans	-58.9	-40.9	175.6	168.4	-96.3	0	0	0	112	L390 Y391 F396 A397 A398 M443 V444 T447 Y522	L390-F394 WeakPolarHBondContact O-CB 3.32Å; L390-F394 PolarHBondContact O-N 3.06Å; Y391-F394 PolarHBondContact O-N 2.95Å; F394-F396 PolarHBondContact O-N 2.89Å; F394-A397 PolarHBondContact O-N 2.76Å; F394-A398 HydrophobicContact CZ-CB 4.49Å; F394-A398 VanDerWaalsContact O-CB 3.26Å; F394-A398 WeakPolarHBondContact O-CB 3.13Å; F394-A398 PolarHBondContact O-N 2.76Å; F394-M443 HydrophobicContact CD2-CG 3.77Å; F394-M443 HydrophobicContact CD2-SD 4.33Å; F394-M443 HydrophobicContact CE2-CE 4.32Å; F394-M443 HydrophobicContact CE2-CG 3.86Å; F394-V444 HydrophobicContact CE2-CG2 3.98Å; F394-V444 HydrophobicContact CZ-CG2 3.93Å; F394-T447 HydrophobicContact CB-CG2 4.33Å; F394-T447 HydrophobicContact CD2-CG2 4.21Å; F394-T447 VanDerWaalsContact CD2-OG1 3.3Å; F394-T447 WeakPolarHBondContact CD2-OG1 3.44Å; F394-T447 HydrophobicContact CG-CG2 4.17Å; F394-Y522 HydrophobicContact CB-CD2 4.05Å; F394-Y522 HydrophobicContact CB-CE2 4.04Å; F394-Y522 HydrophobicContact CD2-CE2 4.35Å
395	F	91	Very high	88.1	Confident	117 Å²	117	42.2 Å²	42.2	51%	0.513	21%	0.205	S	C	.	.	H	α-helix	trans	-59	-47.8	177	173.5	-97.9	0	0	0	111.9	Y391 T392 A393 A398 N399	Y391-F395 PolarHBondContact O-N 3.29Å; T392-F395 PolarHBondContact O-N 3.16Å; A393-F395 VanDerWaalsContact C-N 3.33Å; A393-F395 PolarHBondContact O-N 3.4Å; F395-A398 PolarHBondContact O-N 3.17Å; F395-N399 WeakPolarHBondContact CE2-ND2 3.49Å; F395-N399 VanDerWaalsContact CZ-ND2 3.33Å; F395-N399 WeakPolarHBondContact CZ-ND2 3.4Å; F395-N399 PolarHBondContact O-N 3.33Å; F395-N399 PolarHBondContact O-ND2 2.96Å
396	F	87.4	Confident	88.8	Confident	73 Å²	73	45 Å²	45	32%	0.32	22%	0.217	S	C	.	.	H	α-helix	trans	-71.3	-34.9	178.5	-70.4	-72	0	0	0	112.9	T392 A393 F394 N399 Y400 I518	T392-F396 HydrophobicContact CG2-CD2 4.5Å; T392-F396 HydrophobicContact CG2-CE2 4.21Å; T392-F396 VanDerWaalsContact O-CD2 3.27Å; T392-F396 WeakPolarHBondContact O-CD2 3.12Å; T392-F396 PolarHBondContact O-N 3.2Å; A393-F396 PolarHBondContact O-N 2.83Å; F394-F396 PolarHBondContact O-N 2.89Å; F396-N399 PolarHBondContact O-N 2.87Å; F396-Y400 PolarHBondContact O-N 2.87Å; F396-I518 HydrophobicContact CB-CB 3.77Å; F396-I518 HydrophobicContact CB-CD1 4.27Å; F396-I518 HydrophobicContact CB-CG2 3.48Å; F396-I518 VanDerWaalsContact CB-CG2 3.48Å; F396-I518 HydrophobicContact CD1-CD1 3.86Å; F396-I518 HydrophobicContact CD2-CD1 4.28Å; F396-I518 HydrophobicContact CD2-CG2 3.81Å; F396-I518 HydrophobicContact CE1-CD1 4.25Å; F396-I518 HydrophobicContact CG-CB 4.26Å; F396-I518 HydrophobicContact CG-CD1 3.88Å; F396-I518 HydrophobicContact CG-CG2 3.8Å
397	A	90.6	Very high	89.1	Confident	2 Å²	2	44.6 Å²	44.6	2%	0.017	22%	0.215	C	C	.	.	H	α-helix	trans	-66	-37.7	174	0	0	0	0	0	112.5	A393 F394 Y400 T401 M443 Y522	A393-A397 WeakPolarHBondContact O-CB 3.3Å; A393-A397 PolarHBondContact O-N 3.23Å; F394-A397 PolarHBondContact O-N 2.76Å; A397-Y400 WeakPolarHBondContact O-CB 3.37Å; A397-Y400 PolarHBondContact O-N 3.13Å; A397-T401 PolarHBondContact O-N 2.96Å; A397-T401 PolarHBondContact O-OG1 2.93Å; A397-M443 HydrophobicContact CB-CE 4.23Å; A397-M443 HydrophobicContact CB-SD 3.5Å; A397-M443 WeakPolarHBondContact CB-SD 3.46Å; A397-Y522 HydrophobicContact CB-CD1 3.97Å; A397-Y522 HydrophobicContact CB-CG 3.77Å
398	A	92.7	Very high	89.2	Confident	11 Å²	11	43.7 Å²	43.7	9%	0.091	21%	0.211	C	C	.	.	H	α-helix	trans	-60.4	-50.8	171.1	0	0	0	0	0	111.2	F394 F395 Y400 T401 I402 F440 M443	F394-A398 HydrophobicContact CZ-CB 4.49Å; F394-A398 VanDerWaalsContact O-CB 3.26Å; F394-A398 WeakPolarHBondContact O-CB 3.13Å; F394-A398 PolarHBondContact O-N 2.76Å; F395-A398 PolarHBondContact O-N 3.17Å; A398-Y400 VanDerWaalsContact C-N 3.29Å; A398-Y400 PolarHBondContact O-N 3.42Å; A398-T401 PolarHBondContact O-N 2.84Å; A398-T401 PolarHBondContact O-OG1 2.69Å; A398-I402 WeakPolarHBondContact O-CB 3.3Å; A398-I402 VanDerWaalsContact O-CG1 3.27Å; A398-I402 WeakPolarHBondContact O-CG1 3.2Å; A398-I402 PolarHBondContact O-N 3.38Å; A398-F440 HydrophobicContact CB-CE2 3.91Å; A398-M443 HydrophobicContact CB-CE 4.19Å
399	N	90.8	Very high	89.4	Confident	60 Å²	60	38.9 Å²	38.9	32%	0.321	20%	0.199	S	C	.	.	H	α-helix	trans	-59.4	-38.5	176.5	-78.6	-84.4	0	0	0	112.3	F395 F396 T403 T515	F395-N399 WeakPolarHBondContact CE2-ND2 3.49Å; F395-N399 VanDerWaalsContact CZ-ND2 3.33Å; F395-N399 WeakPolarHBondContact CZ-ND2 3.4Å; F395-N399 PolarHBondContact O-N 3.33Å; F395-N399 PolarHBondContact O-ND2 2.96Å; F396-N399 PolarHBondContact O-N 2.87Å; N399-T403 WeakPolarHBondContact O-CB 3.35Å; N399-T403 PolarHBondContact O-N 2.87Å; N399-T403 PolarHBondContact O-OG1 3.48Å; N399-T515 HydrophobicContact CB-CG2 4.3Å
400	Y	89.5	Confident	89.5	Confident	5 Å²	5	38.6 Å²	38.6	2%	0.02	20%	0.198	C	C	.	.	H	α-helix	trans	-57.2	-59.3	171	172	-95.3	0	0	0	111.3	F396 A397 A398 I402 T403 T404 L491 F512 T515 M516	F396-Y400 PolarHBondContact O-N 2.87Å; A397-Y400 WeakPolarHBondContact O-CB 3.37Å; A397-Y400 PolarHBondContact O-N 3.13Å; A398-Y400 VanDerWaalsContact C-N 3.29Å; A398-Y400 PolarHBondContact O-N 3.42Å; Y400-I402 VanDerWaalsContact C-N 3.3Å; Y400-I402 PolarHBondContact O-N 3.12Å; Y400-T403 PolarHBondContact O-N 3.34Å; Y400-T404 PolarHBondContact O-N 3.24Å; Y400-T404 PolarHBondContact O-OG1 3.24Å; Y400-T404 VanDerWaalsContact O-OG1 3.05Å; Y400-L491 VanDerWaalsContact OH-CD2 3.32Å; Y400-L491 WeakPolarHBondContact OH-CD2 3.28Å; Y400-F512 HydrophobicContact CD2-CD2 4.24Å; Y400-F512 HydrophobicContact CD2-CE2 4.49Å; Y400-F512 AromaticContact CE2-CD2 3.66Å; Y400-F512 HydrophobicContact CE2-CD2 3.66Å; Y400-F512 AromaticContact CE2-CE2 3.5Å; Y400-F512 HydrophobicContact CE2-CE2 3.5Å; Y400-F512 VanDerWaalsContact CE2-CE2 3.5Å; Y400-F512 HydrophobicContact CE2-CZ 4.36Å; Y400-F512 AromaticContact CZ-CE2 3.78Å; Y400-F512 WeakPolarHBondContact OH-CE2 3.47Å; Y400-T515 WeakPolarHBondContact CA-OG1 3.32Å; Y400-T515 WeakPolarHBondContact CB-OG1 3.38Å; Y400-M516 HydrophobicContact CD2-CB 4.09Å; Y400-M516 HydrophobicContact CE2-CB 3.8Å; Y400-M516 HydrophobicContact CE2-CG 4.13Å
401	T	91.7	Very high	89.2	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.012	20%	0.199	C	C	.	.	H	α-helix	trans	-58.5	-39.5	-178	49.6	0	0	0	0	113	A397 A398 T404 I405 F440 M443	A397-T401 PolarHBondContact O-N 2.96Å; A397-T401 PolarHBondContact O-OG1 2.93Å; A398-T401 PolarHBondContact O-N 2.84Å; A398-T401 PolarHBondContact O-OG1 2.69Å; T401-T404 PolarHBondContact O-N 2.8Å; T401-I405 WeakPolarHBondContact O-CD1 3.5Å; T401-I405 VanDerWaalsContact O-CG1 3.3Å; T401-I405 WeakPolarHBondContact O-CG1 3.45Å; T401-I405 PolarHBondContact O-N 2.82Å; T401-I405 VanDerWaalsContact O-N 3.13Å; T401-F440 WeakPolarHBondContact OG1-CD2 3.41Å; T401-M443 HydrophobicContact CG2-CE 4.14Å
402	I	91.6	Very high	88.9	Confident	75 Å²	75	36.3 Å²	36.3	39%	0.385	19%	0.191	S	C	.	.	H	α-helix	trans	-67.1	-39.5	177.3	-68.1	165.3	0	0	0	110.8	A398 Y400 I405 I406 F440	A398-I402 WeakPolarHBondContact O-CB 3.3Å; A398-I402 VanDerWaalsContact O-CG1 3.27Å; A398-I402 WeakPolarHBondContact O-CG1 3.2Å; A398-I402 PolarHBondContact O-N 3.38Å; Y400-I402 VanDerWaalsContact C-N 3.3Å; Y400-I402 PolarHBondContact O-N 3.12Å; I402-I405 PolarHBondContact O-N 2.87Å; I402-I406 HydrophobicContact CG2-CD1 3.76Å; I402-I406 HydrophobicContact CG2-CG1 4.48Å; I402-I406 VanDerWaalsContact O-CG1 3.27Å; I402-I406 WeakPolarHBondContact O-CG1 3.07Å; I402-I406 PolarHBondContact O-N 3.15Å; I402-F440 HydrophobicContact CD1-CE2 4.29Å
403	T	89.3	Confident	88.7	Confident	13 Å²	13	36.7 Å²	36.7	8%	0.08	20%	0.199	C	C	.	.	H	α-helix	trans	-66.6	-41.5	177.3	-55	0	0	0	0	111.6	N399 Y400 I405 I406 L407 G508 L511 F512	N399-T403 WeakPolarHBondContact O-CB 3.35Å; N399-T403 PolarHBondContact O-N 2.87Å; N399-T403 PolarHBondContact O-OG1 3.48Å; Y400-T403 PolarHBondContact O-N 3.34Å; T403-I405 PolarHBondContact O-N 2.66Å; T403-I406 PolarHBondContact O-N 3.16Å; T403-L407 VanDerWaalsContact O-CB 3.31Å; T403-L407 WeakPolarHBondContact O-CB 3.28Å; T403-L407 PolarHBondContact O-N 3.12Å; T403-G508 VanDerWaalsContact CG2-O 3.27Å; T403-G508 WeakPolarHBondContact CG2-O 3.28Å; T403-L511 HydrophobicContact CG2-CB 3.69Å; T403-F512 HydrophobicContact CG2-CB 4.05Å
404	T	89.2	Confident	88.1	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-43.8	176.5	-42.7	0	0	0	0	111.4	Y400 T401 L407 A408 R432 D436 L497 F512	Y400-T404 PolarHBondContact O-N 3.24Å; Y400-T404 PolarHBondContact O-OG1 3.24Å; Y400-T404 VanDerWaalsContact O-OG1 3.05Å; T401-T404 PolarHBondContact O-N 2.8Å; T404-L407 PolarHBondContact O-N 2.93Å; T404-A408 VanDerWaalsContact O-CB 3.27Å; T404-A408 WeakPolarHBondContact O-CB 3.23Å; T404-A408 PolarHBondContact O-N 3.46Å; T404-R432 HydrophobicContact CG2-CG 4.43Å; T404-D436 WeakPolarHBondContact CB-OD2 3.42Å; T404-D436 WeakPolarHBondContact CG2-OD2 3.48Å; T404-L497 HydrophobicContact CG2-CD2 4.05Å; T404-F512 HydrophobicContact CG2-CD2 4.4Å; T404-F512 HydrophobicContact CG2-CE2 4.1Å
405	I	91.6	Very high	86.9	Confident	48 Å²	48	38.5 Å²	38.5	25%	0.246	21%	0.207	C	C	.	.	H	α-helix	trans	-60.8	-47.8	174.9	-66.8	164	0	0	0	111.3	T401 I402 T403 L407 A409 D436 A437	T401-I405 WeakPolarHBondContact O-CD1 3.5Å; T401-I405 VanDerWaalsContact O-CG1 3.3Å; T401-I405 WeakPolarHBondContact O-CG1 3.45Å; T401-I405 PolarHBondContact O-N 2.82Å; T401-I405 VanDerWaalsContact O-N 3.13Å; I402-I405 PolarHBondContact O-N 2.87Å; T403-I405 PolarHBondContact O-N 2.66Å; I405-L407 VanDerWaalsContact C-N 3.35Å; I405-L407 PolarHBondContact O-N 2.91Å; I405-A409 VanDerWaalsContact O-CB 3.29Å; I405-A409 WeakPolarHBondContact O-CB 3.35Å; I405-A409 PolarHBondContact O-N 3.39Å; I405-D436 HydrophobicContact CD1-CB 3.94Å; I405-D436 HydrophobicContact CG1-CB 3.53Å; I405-A437 HydrophobicContact CD1-CB 4.49Å
406	I	89.3	Confident	85.4	Confident	106 Å²	106	37.4 Å²	37.4	54%	0.544	21%	0.206	S	C	.	.	H	α-helix	trans	-61.1	-44.4	179.4	-71.3	167.1	0	0	0	110.9	I402 T403 A409 D410	I402-I406 HydrophobicContact CG2-CD1 3.76Å; I402-I406 HydrophobicContact CG2-CG1 4.48Å; I402-I406 VanDerWaalsContact O-CG1 3.27Å; I402-I406 WeakPolarHBondContact O-CG1 3.07Å; I402-I406 PolarHBondContact O-N 3.15Å; T403-I406 PolarHBondContact O-N 3.16Å; I406-A409 PolarHBondContact O-N 3.18Å; I406-D410 WeakPolarHBondContact O-CB 3.22Å; I406-D410 PolarHBondContact O-N 2.82Å
407	L	87.4	Confident	83.8	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-73.5	-38.6	-176.2	-172	56.2	0	0	0	112.1	T403 T404 I405 D410 L411 L497 W509 F512	T403-L407 VanDerWaalsContact O-CB 3.31Å; T403-L407 WeakPolarHBondContact O-CB 3.28Å; T403-L407 PolarHBondContact O-N 3.12Å; T404-L407 PolarHBondContact O-N 2.93Å; I405-L407 VanDerWaalsContact C-N 3.35Å; I405-L407 PolarHBondContact O-N 2.91Å; L407-D410 PolarHBondContact O-N 3.41Å; L407-L411 HydrophobicContact CG-CD1 4.46Å; L407-L411 WeakPolarHBondContact O-CB 3.44Å; L407-L411 VanDerWaalsContact O-CG 3.28Å; L407-L411 WeakPolarHBondContact O-CG 3.39Å; L407-L411 PolarHBondContact O-N 3.16Å; L407-L497 HydrophobicContact CD2-CD1 3.63Å; L407-L497 HydrophobicContact CD2-CD2 4.01Å; L407-L497 HydrophobicContact CD2-CG 4.34Å; L407-L497 HydrophobicContact CG-CD1 3.7Å; L407-W509 HydrophobicContact CD2-CB 4.38Å; L407-W509 HydrophobicContact CD2-CE3 4.29Å; L407-F512 HydrophobicContact CD2-CB 4.38Å
408	A	88.3	Confident	82	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-64.9	-38.2	172.8	0	0	0	0	0	112.1	T404 E412 L429 R432 C433	T404-A408 VanDerWaalsContact O-CB 3.27Å; T404-A408 WeakPolarHBondContact O-CB 3.23Å; T404-A408 PolarHBondContact O-N 3.46Å; A408-E412 WeakPolarHBondContact O-CB 3.31Å; A408-E412 PolarHBondContact O-N 2.96Å; A408-L429 HydrophobicContact CB-CD2 4.27Å; A408-R432 HydrophobicContact CB-CG 3.92Å; A408-C433 VanDerWaalsContact CB-SG 3.55Å
409	A	88.2	Confident	80	Confident	47 Å²	47	46.2 Å²	46.2	39%	0.388	28%	0.28	S	S	.	.	H	α-helix	trans	-68.7	-40.2	174.4	0	0	0	0	0	113	I405 I406 E412 A413	I405-A409 VanDerWaalsContact O-CB 3.29Å; I405-A409 WeakPolarHBondContact O-CB 3.35Å; I405-A409 PolarHBondContact O-N 3.39Å; I406-A409 PolarHBondContact O-N 3.18Å; A409-E412 PolarHBondContact O-N 3.43Å; A409-A413 WeakPolarHBondContact O-CB 3.24Å; A409-A413 PolarHBondContact O-N 2.88Å
410	D	85.1	Confident	78.3	Confident	51 Å²	51	49.8 Å²	49.8	27%	0.273	30%	0.299	S	S	.	.	H	α-helix	trans	-64.5	-39.9	175.3	176.2	69.8	0	0	0	112.2	I406 L407 K414	I406-D410 WeakPolarHBondContact O-CB 3.22Å; I406-D410 PolarHBondContact O-N 2.82Å; L407-D410 PolarHBondContact O-N 3.41Å; D410-K414 WeakPolarHBondContact O-CB 3.32Å; D410-K414 WeakPolarHBondContact O-CG 3.44Å; D410-K414 PolarHBondContact O-N 3.31Å; D410-K414 WeakPolarHBondContact OD1-CE 3.41Å; D410-K414 IonicContact OD1-NZ 3.8Å; D410-K414 PolarHBondContact OD1-NZ 3.26Å; D410-K414 IonicContact OD2-NZ 2.91Å; D410-K414 PolarHBondContact OD2-NZ 2.73Å
411	L	82.4	Confident	76.8	Confident	6 Å²	6	51 Å²	51	3%	0.031	31%	0.307	C	S	.	.	H	α-helix	trans	-66.9	-37.7	173.8	-72.3	171.8	0	0	0	112.7	L407 G415 L429 L497 L500 R504	L407-L411 HydrophobicContact CG-CD1 4.46Å; L407-L411 WeakPolarHBondContact O-CB 3.44Å; L407-L411 VanDerWaalsContact O-CG 3.28Å; L407-L411 WeakPolarHBondContact O-CG 3.39Å; L407-L411 PolarHBondContact O-N 3.16Å; L411-G415 PolarHBondContact O-N 3.48Å; L411-L429 HydrophobicContact CB-CD1 4.22Å; L411-L429 HydrophobicContact CB-CD2 4.18Å; L411-L497 HydrophobicContact CD1-CD1 3.52Å; L411-L500 HydrophobicContact CD1-CB 4.36Å; L411-R504 HydrophobicContact CD2-CB 3.8Å
412	E	84.5	Confident	75.6	Confident	46 Å²	46	52.7 Å²	52.7	22%	0.215	32%	0.319	C	S	.	.	H	α-helix	trans	-64	-51.2	174.1	-165.9	-69.3	142.8	0	0	110.7	A408 A409 K414 G415 N416 L429 I430	A408-E412 WeakPolarHBondContact O-CB 3.31Å; A408-E412 PolarHBondContact O-N 2.96Å; A409-E412 PolarHBondContact O-N 3.43Å; E412-K414 VanDerWaalsContact C-N 3.34Å; E412-K414 PolarHBondContact O-N 3.25Å; E412-G415 CarbonylContact O-C 3.5Å; E412-G415 VanDerWaalsContact O-CA 3.32Å; E412-G415 WeakPolarHBondContact O-CA 3.43Å; E412-G415 PolarHBondContact O-N 3.5Å; E412-N416 VanDerWaalsContact CD-ND2 3.27Å; E412-N416 PolarHBondContact O-N 3.32Å; E412-N416 VanDerWaalsContact O-N 3.11Å; E412-N416 PolarHBondContact O-ND2 2.84Å; E412-N416 PolarHBondContact OE1-ND2 2.74Å; E412-N416 PolarHBondContact OE2-ND2 2.96Å; E412-L429 HydrophobicContact CB-CB 4.26Å; E412-L429 HydrophobicContact CB-CD1 4.23Å; E412-I430 HydrophobicContact CG-CG1 4.14Å
413	A	82.3	Confident	74.9	Confident	59 Å²	59	51 Å²	51	49%	0.488	32%	0.321	S	S	.	.	H	α-helix	trans	-58.8	-43.8	-180	0	0	0	0	0	111.8	A409 G415 N416	A409-A413 WeakPolarHBondContact O-CB 3.24Å; A409-A413 PolarHBondContact O-N 2.88Å; A413-G415 VanDerWaalsContact C-N 3.34Å; A413-N416 PolarHBondContact O-N 2.95Å
414	K	75.7	Confident	74.5	Confident	81 Å²	81	53.5 Å²	53.5	35%	0.352	34%	0.338	S	S	.	.	H	α-helix	trans	-68.6	-32	173.8	-72.6	166.4	178.9	161.3	0	112.4	D410 E412 N416 G417 R504	D410-K414 WeakPolarHBondContact O-CB 3.32Å; D410-K414 WeakPolarHBondContact O-CG 3.44Å; D410-K414 PolarHBondContact O-N 3.31Å; D410-K414 WeakPolarHBondContact OD1-CE 3.41Å; D410-K414 IonicContact OD1-NZ 3.8Å; D410-K414 PolarHBondContact OD1-NZ 3.26Å; D410-K414 IonicContact OD2-NZ 2.91Å; D410-K414 PolarHBondContact OD2-NZ 2.73Å; E412-K414 VanDerWaalsContact C-N 3.34Å; E412-K414 PolarHBondContact O-N 3.25Å; K414-N416 PolarHBondContact O-N 3.4Å; K414-G417 PolarHBondContact O-N 2.8Å; K414-G417 VanDerWaalsContact O-N 3.11Å; K414-R504 HydrophobicContact CD-CB 4.21Å; K414-R504 PolarHBondContact NZ-O 3.36Å
415	G	67.5	Low	74.1	Confident	2 Å²	2	54.6 Å²	54.6	2%	0.021	34%	0.343	C	S	.	.	H	α-helix	trans	-65.9	-16	173	0	0	0	0	0	114.5	L411 E412 A413 T421 K426	L411-G415 PolarHBondContact O-N 3.48Å; E412-G415 CarbonylContact O-C 3.5Å; E412-G415 VanDerWaalsContact O-CA 3.32Å; E412-G415 WeakPolarHBondContact O-CA 3.43Å; E412-G415 PolarHBondContact O-N 3.5Å; A413-G415 VanDerWaalsContact C-N 3.34Å; G415-T421 WeakPolarHBondContact CA-OG1 3.29Å; G415-T421 WeakPolarHBondContact O-CB 3.44Å; G415-T421 PolarHBondContact O-OG1 3.49Å; G415-K426 WeakPolarHBondContact O-CE 3.35Å; G415-K426 PolarHBondContact O-NZ 3Å
416	N	57.6	Low	73.8	Confident	94 Å²	94	54.5 Å²	54.5	50%	0.503	34%	0.341	S	S	.	.	H	α-helix	trans	-82	-21.7	170.1	-71.9	-46.5	0	0	0	113.7	E412 A413 K414 K426	E412-N416 VanDerWaalsContact CD-ND2 3.27Å; E412-N416 PolarHBondContact O-N 3.32Å; E412-N416 VanDerWaalsContact O-N 3.11Å; E412-N416 PolarHBondContact O-ND2 2.84Å; E412-N416 PolarHBondContact OE1-ND2 2.74Å; E412-N416 PolarHBondContact OE2-ND2 2.96Å; A413-N416 PolarHBondContact O-N 2.95Å; K414-N416 PolarHBondContact O-N 3.4Å; N416-K426 PolarHBondContact OD1-NZ 3.34Å
417	G	54.7	Low	73.7	Confident	70 Å²	70	56.2 Å²	56.2	72%	0.722	35%	0.347	S	S	*	.	S	Bend	trans	-83	-10	179.4	0	0	0	0	0	115.6	K414	K414-G417 PolarHBondContact O-N 2.8Å; K414-G417 VanDerWaalsContact O-N 3.11Å
418	I	51.7	Low	73.8	Confident	82 Å²	82	57 Å²	57	42%	0.421	35%	0.35	S	S	.	.	S	Bend	trans	-129.2	123.2	-175.9	-64.8	169.8	0	0	0	109.3	N420 T421 R504	I418-N420 PolarHBondContact O-N 3.37Å; I418-T421 PolarHBondContact O-OG1 2.76Å; I418-R504 VanDerWaalsContact CD1-NH2 3.26Å
419	S	51.8	Low	73.9	Confident	118 Å²	118	57 Å²	57	83%	0.825	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-4.9	-166.2	54.2	0	0	0	0	116.8
420	N	55.3	Low	74	Confident	136 Å²	136	58.5 Å²	58.5	73%	0.727	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	-8	-168.5	-64	12.6	0	0	0	113.8	I418 S422	I418-N420 PolarHBondContact O-N 3.37Å; N420-S422 PolarHBondContact O-N 2.7Å
421	T	57.5	Low	74.4	Confident	29 Å²	29	56.9 Å²	56.9	18%	0.178	35%	0.346	C	S	.	.			trans	-63.4	118.9	176.7	-41.3	0	0	0	0	109.9	G415 I418 E425 K426	G415-T421 WeakPolarHBondContact CA-OG1 3.29Å; G415-T421 WeakPolarHBondContact O-CB 3.44Å; G415-T421 PolarHBondContact O-OG1 3.49Å; I418-T421 PolarHBondContact O-OG1 2.76Å; T421-E425 HydrophobicContact CG2-CB 4.31Å; T421-E425 WeakPolarHBondContact CG2-OE2 3.27Å; T421-K426 HydrophobicContact CG2-CG 4.09Å
422	S	66.2	Low	74.8	Confident	38 Å²	38	56.8 Å²	56.8	27%	0.266	35%	0.345	S	S	.	.			trans	-70.7	144	-174.8	-155.5	0	0	0	0	111.3	N420 S424 E425 K426	N420-S422 PolarHBondContact O-N 2.7Å; S422-S424 PolarHBondContact O-N 3.22Å; S422-S424 VanDerWaalsContact O-N 3.13Å; S422-E425 VanDerWaalsContact CB-CD 3.48Å; S422-E425 WeakPolarHBondContact CB-OE1 3.23Å; S422-E425 PolarHBondContact N-OE2 2.71Å; S422-E425 WeakPolarHBondContact O-CB 3.25Å; S422-E425 PolarHBondContact O-N 3.06Å; S422-K426 PolarHBondContact O-N 2.78Å
423	G	77.1	Confident	75.3	Confident	41 Å²	41	55.8 Å²	55.8	42%	0.423	34%	0.344	S	S	.	.	H	α-helix	trans	-55	-35.7	-179.2	0	0	0	0	0	113.1	E425 K426 H427	G423-E425 VanDerWaalsContact C-N 3.32Å; G423-E425 PolarHBondContact O-N 3.39Å; G423-K426 PolarHBondContact O-N 3.45Å; G423-H427 PolarHBondContact O-CD2 3.37Å; G423-H427 PolarHBondContact O-N 3.49Å
424	S	81.5	Confident	75.8	Confident	65 Å²	65	57.9 Å²	57.9	46%	0.455	35%	0.346	S	S	.	.	H	α-helix	trans	-59.9	-36.1	174.5	-52.9	0	0	0	0	113.7	S422 L428	S422-S424 PolarHBondContact O-N 3.22Å; S422-S424 VanDerWaalsContact O-N 3.13Å; S424-L428 WeakPolarHBondContact O-CG 3.38Å; S424-L428 PolarHBondContact O-N 3.2Å; S424-L428 VanDerWaalsContact O-N 3.08Å
425	E	81.4	Confident	76.8	Confident	23 Å²	23	54.6 Å²	54.6	11%	0.107	33%	0.333	C	S	.	.	H	α-helix	trans	-68.9	-42.7	178.6	-66.7	144.4	-151.2	0	0	110.6	L339 T421 S422 G423 L428 L429	L339-E425 HydrophobicContact CD2-CG 4.25Å; T421-E425 HydrophobicContact CG2-CB 4.31Å; T421-E425 WeakPolarHBondContact CG2-OE2 3.27Å; S422-E425 VanDerWaalsContact CB-CD 3.48Å; S422-E425 WeakPolarHBondContact CB-OE1 3.23Å; S422-E425 PolarHBondContact N-OE2 2.71Å; S422-E425 WeakPolarHBondContact O-CB 3.25Å; S422-E425 PolarHBondContact O-N 3.06Å; G423-E425 VanDerWaalsContact C-N 3.32Å; G423-E425 PolarHBondContact O-N 3.39Å; E425-L428 PolarHBondContact O-N 2.88Å; E425-L429 WeakPolarHBondContact O-CG 3.32Å; E425-L429 PolarHBondContact O-N 2.99Å
426	K	83.9	Confident	78	Confident	46 Å²	46	54.7 Å²	54.7	20%	0.2	33%	0.332	C	S	.	.	H	α-helix	trans	-63.2	-44.2	176.2	-59	-171.8	-176.8	-174.6	0	111.8	G415 N416 T421 S422 G423 L428 L429 I430	G415-K426 WeakPolarHBondContact O-CE 3.35Å; G415-K426 PolarHBondContact O-NZ 3Å; N416-K426 PolarHBondContact OD1-NZ 3.34Å; T421-K426 HydrophobicContact CG2-CG 4.09Å; S422-K426 PolarHBondContact O-N 2.78Å; G423-K426 PolarHBondContact O-N 3.45Å; K426-L428 VanDerWaalsContact C-N 3.28Å; K426-L428 PolarHBondContact O-N 3.34Å; K426-L429 PolarHBondContact O-N 3Å; K426-I430 VanDerWaalsContact O-CG1 3.31Å; K426-I430 WeakPolarHBondContact O-CG1 3.31Å; K426-I430 PolarHBondContact O-N 3.01Å
427	H	87.8	Confident	79.8	Confident	143 Å²	143	52 Å²	52	66%	0.662	32%	0.323	S	S	*	.	H	α-helix	trans	-62	-34.7	175	-69	-53.2	0	0	0	112.8	G423 G431	G423-H427 PolarHBondContact O-CD2 3.37Å; G423-H427 PolarHBondContact O-N 3.49Å; H427-G431 PolarHBondContact O-N 3.37Å
428	L	90.3	Very high	81.7	Confident	18 Å²	18	53.8 Å²	53.8	9%	0.094	31%	0.312	C	S	.	.	H	α-helix	trans	-71.5	-38.9	174.8	-76.1	167.9	0	0	0	113.1	L343 C346 I347 L350 S424 E425 K426 G431 R432 I496	L343-L428 HydrophobicContact CD2-CD1 3.82Å; C346-L428 HydrophobicContact CB-CD1 4.33Å; I347-L428 HydrophobicContact CG1-CD2 3.88Å; L350-L428 HydrophobicContact CD2-CD2 4.05Å; S424-L428 WeakPolarHBondContact O-CG 3.38Å; S424-L428 PolarHBondContact O-N 3.2Å; S424-L428 VanDerWaalsContact O-N 3.08Å; E425-L428 PolarHBondContact O-N 2.88Å; K426-L428 VanDerWaalsContact C-N 3.28Å; K426-L428 PolarHBondContact O-N 3.34Å; L428-G431 PolarHBondContact O-N 3.24Å; L428-R432 WeakPolarHBondContact O-CB 3.24Å; L428-R432 PolarHBondContact O-N 3.49Å; L428-I496 HydrophobicContact CB-CG1 4.22Å; L428-I496 HydrophobicContact CD1-CD1 4.32Å
429	L	89.7	Confident	83.7	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-64.2	-44.9	174.3	-71.5	166.6	0	0	0	111.7	A408 L411 E412 E425 K426 G431 R432 C433 I496 L500	A408-L429 HydrophobicContact CB-CD2 4.27Å; L411-L429 HydrophobicContact CB-CD1 4.22Å; L411-L429 HydrophobicContact CB-CD2 4.18Å; E412-L429 HydrophobicContact CB-CB 4.26Å; E412-L429 HydrophobicContact CB-CD1 4.23Å; E425-L429 WeakPolarHBondContact O-CG 3.32Å; E425-L429 PolarHBondContact O-N 2.99Å; K426-L429 PolarHBondContact O-N 3Å; L429-G431 VanDerWaalsContact C-N 3.31Å; L429-G431 PolarHBondContact O-N 3.42Å; L429-R432 WeakPolarHBondContact O-CB 3.43Å; L429-R432 PolarHBondContact O-N 3.47Å; L429-C433 PolarHBondContact O-N 3.03Å; L429-C433 PolarHBondContact O-SG 3.29Å; L429-I496 HydrophobicContact CD2-CG1 4.49Å; L429-I496 HydrophobicContact CD2-CG2 4.33Å; L429-L500 HydrophobicContact CD1-CD2 3.91Å; L429-L500 HydrophobicContact CD2-CD2 4.41Å
430	I	90.7	Very high	85.8	Confident	79 Å²	79	47.8 Å²	47.8	41%	0.405	27%	0.268	S	S	.	.	H	α-helix	trans	-62	-41.4	174	-65.3	164.8	0	0	0	110.4	E412 K426 C433 L434	E412-I430 HydrophobicContact CG-CG1 4.14Å; K426-I430 VanDerWaalsContact O-CG1 3.31Å; K426-I430 WeakPolarHBondContact O-CG1 3.31Å; K426-I430 PolarHBondContact O-N 3.01Å; I430-C433 PolarHBondContact O-N 3.45Å; I430-L434 HydrophobicContact CG2-CD1 4.25Å; I430-L434 WeakPolarHBondContact O-CG 3.47Å; I430-L434 PolarHBondContact O-N 3.49Å; I430-L434 VanDerWaalsContact O-N 3.12Å
431	G	92.4	Very high	87.7	Confident	16 Å²	16	45.3 Å²	45.3	17%	0.165	25%	0.254	C	S	.	.	H	α-helix	trans	-60.1	-45.4	174.4	0	0	0	0	0	113	H427 L428 L429 L434 V435	H427-G431 PolarHBondContact O-N 3.37Å; L428-G431 PolarHBondContact O-N 3.24Å; L429-G431 VanDerWaalsContact C-N 3.31Å; L429-G431 PolarHBondContact O-N 3.42Å; G431-L434 PolarHBondContact O-N 3.49Å; G431-V435 WeakPolarHBondContact O-CG2 3.31Å; G431-V435 PolarHBondContact O-N 3.02Å
432	R	92.4	Very high	89.5	Confident	4 Å²	4	44 Å²	44	2%	0.015	25%	0.245	C	C	.	.	H	α-helix	trans	-55.5	-51.8	174.3	169.8	55	69.1	-155.1	2.3	110.9	L350 E353 T404 A408 L428 L429 L434 V435 D436 D495 I496	L350-R432 HydrophobicContact CD1-CB 4.4Å; E353-R432 IonicContact OE2-CZ 2.69Å; E353-R432 IonicContact OE2-NH1 3.77Å; E353-R432 PolarHBondContact OE2-NH1 2.96Å; E353-R432 IonicContact OE2-NH2 3.97Å; E353-R432 PolarHBondContact OE2-NH2 3.35Å; T404-R432 HydrophobicContact CG2-CG 4.43Å; A408-R432 HydrophobicContact CB-CG 3.92Å; L428-R432 WeakPolarHBondContact O-CB 3.24Å; L428-R432 PolarHBondContact O-N 3.49Å; L429-R432 WeakPolarHBondContact O-CB 3.43Å; L429-R432 PolarHBondContact O-N 3.47Å; R432-L434 VanDerWaalsContact C-N 3.3Å; R432-L434 PolarHBondContact O-N 2.92Å; R432-V435 PolarHBondContact O-N 2.96Å; R432-D436 VanDerWaalsContact CD-CG 3.47Å; R432-D436 VanDerWaalsContact CD-OD1 3.25Å; R432-D436 WeakPolarHBondContact CD-OD1 3.48Å; R432-D436 WeakPolarHBondContact CD-OD2 3.3Å; R432-D436 IonicContact CZ-OD1 3.48Å; R432-D436 IonicContact NE-OD1 3.34Å; R432-D436 IonicContact NH1-OD1 3.06Å; R432-D436 PolarHBondContact NH1-OD1 3.28Å; R432-D436 WeakPolarHBondContact O-CB 3.4Å; R432-D436 PolarHBondContact O-N 2.88Å; R432-D495 IonicContact CZ-OD1 2.7Å; R432-D495 IonicContact NE-OD1 2.76Å; R432-D495 PolarHBondContact NE-OD1 3.17Å; R432-D495 IonicContact NE-OD2 2.79Å; R432-D495 IonicContact NH2-OD1 2.69Å; R432-D495 PolarHBondContact NH2-OD1 3.21Å; R432-D495 IonicContact NH2-OD2 3.33Å; R432-I496 HydrophobicContact CB-CG2 4.36Å
433	C	93.2	Very high	90.9	Very high	26 Å²	26	42.2 Å²	42.2	18%	0.176	23%	0.233	C	C	.	.	H	α-helix	trans	-55.9	-40.6	176	-67.3	0	0	0	0	113.6	A408 L429 I430 A437	A408-C433 VanDerWaalsContact CB-SG 3.55Å; L429-C433 PolarHBondContact O-N 3.03Å; L429-C433 PolarHBondContact O-SG 3.29Å; I430-C433 PolarHBondContact O-N 3.45Å; C433-A437 WeakPolarHBondContact O-CB 3.46Å; C433-A437 PolarHBondContact O-N 2.84Å; C433-A437 VanDerWaalsContact O-N 3.17Å
434	L	94.5	Very high	91.8	Very high	103 Å²	103	43.1 Å²	43.1	54%	0.539	23%	0.23	S	C	.	.	H	α-helix	trans	-70.8	-40.9	178.7	-70.1	170.7	0	0	0	112.5	I430 G431 R432 A437 F438	I430-L434 HydrophobicContact CG2-CD1 4.25Å; I430-L434 WeakPolarHBondContact O-CG 3.47Å; I430-L434 PolarHBondContact O-N 3.49Å; I430-L434 VanDerWaalsContact O-N 3.12Å; G431-L434 PolarHBondContact O-N 3.49Å; R432-L434 VanDerWaalsContact C-N 3.3Å; R432-L434 PolarHBondContact O-N 2.92Å; L434-A437 PolarHBondContact O-N 3.46Å; L434-F438 WeakPolarHBondContact O-CD2 3.37Å; L434-F438 PolarHBondContact O-N 3.21Å
435	V	95.2	Very high	92.5	Very high	12 Å²	12	42.8 Å²	42.8	7%	0.073	22%	0.223	C	C	.	.	H	α-helix	trans	-68.7	-43	178.8	171.3	0	0	0	0	111.3	L350 E353 A354 G431 R432 A437 F438 E439	L350-V435 HydrophobicContact CD1-CB 3.72Å; L350-V435 HydrophobicContact CD1-CG1 4.14Å; L350-V435 HydrophobicContact CD1-CG2 3.58Å; L350-V435 HydrophobicContact CG-CG2 4.05Å; E353-V435 HydrophobicContact CB-CG1 3.96Å; E353-V435 HydrophobicContact CG-CG1 3.8Å; A354-V435 HydrophobicContact CB-CG1 4.38Å; A354-V435 HydrophobicContact CB-CG2 3.73Å; G431-V435 WeakPolarHBondContact O-CG2 3.31Å; G431-V435 PolarHBondContact O-N 3.02Å; R432-V435 PolarHBondContact O-N 2.96Å; V435-A437 VanDerWaalsContact C-N 3.27Å; V435-A437 PolarHBondContact O-N 3.05Å; V435-F438 CarbonylContact O-C 3.58Å; V435-F438 PolarHBondContact O-N 3.25Å; V435-F438 VanDerWaalsContact O-N 3.14Å; V435-E439 PolarHBondContact O-N 3.15Å
436	D	93.6	Very high	93.2	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.016	22%	0.218	C	C	.	.	H	α-helix	trans	-64.3	-33.8	176.5	-62.2	-12.2	0	0	0	111.5	T404 I405 R432 E439 F440	T404-D436 WeakPolarHBondContact CB-OD2 3.42Å; T404-D436 WeakPolarHBondContact CG2-OD2 3.48Å; I405-D436 HydrophobicContact CD1-CB 3.94Å; I405-D436 HydrophobicContact CG1-CB 3.53Å; R432-D436 VanDerWaalsContact CD-CG 3.47Å; R432-D436 VanDerWaalsContact CD-OD1 3.25Å; R432-D436 WeakPolarHBondContact CD-OD1 3.48Å; R432-D436 WeakPolarHBondContact CD-OD2 3.3Å; R432-D436 IonicContact CZ-OD1 3.48Å; R432-D436 IonicContact NE-OD1 3.34Å; R432-D436 IonicContact NH1-OD1 3.06Å; R432-D436 PolarHBondContact NH1-OD1 3.28Å; R432-D436 WeakPolarHBondContact O-CB 3.4Å; R432-D436 PolarHBondContact O-N 2.88Å; D436-E439 PolarHBondContact O-N 3.4Å; D436-F440 WeakPolarHBondContact O-CB 3.3Å; D436-F440 PolarHBondContact O-N 3.03Å
437	A	94.8	Very high	93.7	Very high	38 Å²	38	39.9 Å²	39.9	31%	0.314	21%	0.211	S	C	.	.	H	α-helix	trans	-67.3	-39.5	172.6	0	0	0	0	0	112.5	I405 C433 L434 V435 F440 I441	I405-A437 HydrophobicContact CD1-CB 4.49Å; C433-A437 WeakPolarHBondContact O-CB 3.46Å; C433-A437 PolarHBondContact O-N 2.84Å; C433-A437 VanDerWaalsContact O-N 3.17Å; L434-A437 PolarHBondContact O-N 3.46Å; V435-A437 VanDerWaalsContact C-N 3.27Å; V435-A437 PolarHBondContact O-N 3.05Å; A437-F440 PolarHBondContact O-N 3Å; A437-I441 WeakPolarHBondContact O-CG1 3.41Å; A437-I441 PolarHBondContact O-N 2.81Å; A437-I441 VanDerWaalsContact O-N 3.1Å
438	F	94.8	Very high	94	Very high	108 Å²	108	39.1 Å²	39.1	47%	0.474	20%	0.203	S	C	.	.	H	α-helix	trans	-65.8	-38	170.3	-71.4	-56.2	0	0	0	112	L434 V435 I441 Q442	L434-F438 WeakPolarHBondContact O-CD2 3.37Å; L434-F438 PolarHBondContact O-N 3.21Å; V435-F438 CarbonylContact O-C 3.58Å; V435-F438 PolarHBondContact O-N 3.25Å; V435-F438 VanDerWaalsContact O-N 3.14Å; F438-I441 PolarHBondContact O-N 3.44Å; F438-Q442 WeakPolarHBondContact O-CB 3.25Å; F438-Q442 PolarHBondContact O-N 3.03Å
439	E	94.2	Very high	94.2	Very high	5 Å²	5	38.3 Å²	38.3	2%	0.023	20%	0.198	C	C	.	.	H	α-helix	trans	-60.8	-45.8	173.8	-167	-168.5	-179.2	0	0	110.6	V435 D436 I441 Q442 M443 K487 R523	V435-E439 PolarHBondContact O-N 3.15Å; D436-E439 PolarHBondContact O-N 3.4Å; E439-I441 PolarHBondContact O-N 2.97Å; E439-Q442 WeakPolarHBondContact O-CB 3.41Å; E439-Q442 PolarHBondContact O-N 3.38Å; E439-M443 VanDerWaalsContact O-CB 3.22Å; E439-M443 WeakPolarHBondContact O-CB 3.49Å; E439-M443 PolarHBondContact O-N 3.08Å; E439-K487 VanDerWaalsContact CD-NZ 3.28Å; E439-K487 WeakPolarHBondContact OE1-CE 3.29Å; E439-K487 IonicContact OE1-NZ 3.78Å; E439-K487 PolarHBondContact OE1-NZ 3.4Å; E439-K487 WeakPolarHBondContact OE2-CE 3.31Å; E439-K487 IonicContact OE2-NZ 3.62Å; E439-K487 PolarHBondContact OE2-NZ 3.45Å; E439-R523 IonicContact OE1-CZ 2.84Å; E439-R523 IonicContact OE1-NE 3.97Å; E439-R523 PolarHBondContact OE1-NE 2.75Å; E439-R523 IonicContact OE1-NH2 3.79Å; E439-R523 PolarHBondContact OE1-NH2 2.71Å
440	F	95.3	Very high	94.4	Very high	69 Å²	69	38.2 Å²	38.2	30%	0.303	20%	0.198	S	C	.	.	H	α-helix	trans	-60	-44.6	178.6	-176.1	-102.9	0	0	0	112.1	A398 T401 I402 D436 A437 M443 V444	A398-F440 HydrophobicContact CB-CE2 3.91Å; T401-F440 WeakPolarHBondContact OG1-CD2 3.41Å; I402-F440 HydrophobicContact CD1-CE2 4.29Å; D436-F440 WeakPolarHBondContact O-CB 3.3Å; D436-F440 PolarHBondContact O-N 3.03Å; A437-F440 PolarHBondContact O-N 3Å; F440-M443 HydrophobicContact CD2-CE 3.83Å; F440-M443 HydrophobicContact CE2-CE 4.38Å; F440-M443 PolarHBondContact O-N 2.81Å; F440-V444 HydrophobicContact CD1-CG2 4.4Å; F440-V444 HydrophobicContact CE1-CG2 4.05Å; F440-V444 HydrophobicContact CE2-CG2 4.4Å; F440-V444 HydrophobicContact CZ-CG2 4.05Å; F440-V444 WeakPolarHBondContact O-CG2 3.46Å; F440-V444 PolarHBondContact O-N 3.46Å
441	I	95.3	Very high	94.4	Very high	84 Å²	84	36.5 Å²	36.5	43%	0.431	19%	0.188	S	C	.	.	H	α-helix	trans	-62.1	-45	174.5	-67.5	165.9	0	0	0	111	I361 A437 F438 E439 M443 V444 L445	I361-I441 HydrophobicContact CD1-CG2 4.13Å; A437-I441 WeakPolarHBondContact O-CG1 3.41Å; A437-I441 PolarHBondContact O-N 2.81Å; A437-I441 VanDerWaalsContact O-N 3.1Å; F438-I441 PolarHBondContact O-N 3.44Å; E439-I441 PolarHBondContact O-N 2.97Å; I441-M443 VanDerWaalsContact C-N 3.3Å; I441-M443 PolarHBondContact O-N 3.32Å; I441-V444 PolarHBondContact O-N 3.31Å; I441-L445 HydrophobicContact CG2-CD1 3.91Å; I441-L445 HydrophobicContact CG2-CG 4.49Å; I441-L445 WeakPolarHBondContact O-CB 3.32Å; I441-L445 VanDerWaalsContact O-CG 3.31Å; I441-L445 WeakPolarHBondContact O-CG 3.41Å; I441-L445 PolarHBondContact O-N 3.36Å
442	Q	95.9	Very high	94.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-57.6	-44.4	175.9	-167.5	-76.1	-35.5	0	0	111.4	I361 F438 E439 Q446	I361-Q442 HydrophobicContact CD1-CB 4.32Å; I361-Q442 HydrophobicContact CG1-CB 3.73Å; I361-Q442 HydrophobicContact CG1-CG 3.96Å; F438-Q442 WeakPolarHBondContact O-CB 3.25Å; F438-Q442 PolarHBondContact O-N 3.03Å; E439-Q442 WeakPolarHBondContact O-CB 3.41Å; E439-Q442 PolarHBondContact O-N 3.38Å; Q442-Q446 VanDerWaalsContact O-CB 3.24Å; Q442-Q446 WeakPolarHBondContact O-CB 3.49Å; Q442-Q446 PolarHBondContact O-N 3.38Å
443	M	94.6	Very high	94.3	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-67.1	-44.5	-177.6	-179.8	165.4	67.8	0	0	112.4	F394 A397 A398 T401 E439 F440 I441 Q446 T447 Y522	F394-M443 HydrophobicContact CD2-CG 3.77Å; F394-M443 HydrophobicContact CD2-SD 4.33Å; F394-M443 HydrophobicContact CE2-CE 4.32Å; F394-M443 HydrophobicContact CE2-CG 3.86Å; A397-M443 HydrophobicContact CB-CE 4.23Å; A397-M443 HydrophobicContact CB-SD 3.5Å; A397-M443 WeakPolarHBondContact CB-SD 3.46Å; A398-M443 HydrophobicContact CB-CE 4.19Å; T401-M443 HydrophobicContact CG2-CE 4.14Å; E439-M443 VanDerWaalsContact O-CB 3.22Å; E439-M443 WeakPolarHBondContact O-CB 3.49Å; E439-M443 PolarHBondContact O-N 3.08Å; F440-M443 HydrophobicContact CD2-CE 3.83Å; F440-M443 HydrophobicContact CE2-CE 4.38Å; F440-M443 PolarHBondContact O-N 2.81Å; I441-M443 VanDerWaalsContact C-N 3.3Å; I441-M443 PolarHBondContact O-N 3.32Å; M443-Q446 PolarHBondContact O-N 3.46Å; M443-T447 WeakPolarHBondContact O-CB 3.32Å; M443-T447 PolarHBondContact O-N 3.16Å; M443-T447 PolarHBondContact O-OG1 3.43Å; M443-Y522 HydrophobicContact CB-CE1 4.47Å; M443-Y522 HydrophobicContact CG-CD1 4.34Å; M443-Y522 HydrophobicContact CG-CE1 3.56Å; M443-Y522 HydrophobicContact CG-CE2 4.32Å; M443-Y522 PolarHBondContact O-OH 2.71Å; M443-Y522 HydrophobicContact SD-CD1 3.91Å; M443-Y522 HydrophobicContact SD-CE1 3.72Å
444	V	96	Very high	94	Very high	61 Å²	61	35.4 Å²	35.4	37%	0.37	18%	0.177	S	C	.	.	H	α-helix	trans	-61.4	-50.8	174.8	170.1	0	0	0	0	110.9	F394 F440 I441 Q446 T447 Y448	F394-V444 HydrophobicContact CE2-CG2 3.98Å; F394-V444 HydrophobicContact CZ-CG2 3.93Å; F440-V444 HydrophobicContact CD1-CG2 4.4Å; F440-V444 HydrophobicContact CE1-CG2 4.05Å; F440-V444 HydrophobicContact CE2-CG2 4.4Å; F440-V444 HydrophobicContact CZ-CG2 4.05Å; F440-V444 WeakPolarHBondContact O-CG2 3.46Å; F440-V444 PolarHBondContact O-N 3.46Å; I441-V444 PolarHBondContact O-N 3.31Å; V444-Q446 VanDerWaalsContact C-N 3.33Å; V444-Q446 PolarHBondContact O-N 2.9Å; V444-T447 PolarHBondContact O-N 3.15Å; V444-Y448 PolarHBondContact O-N 3.09Å
445	L	96.2	Very high	93.6	Very high	58 Å²	58	34.1 Å²	34.1	30%	0.304	17%	0.166	S	C	.	.	H	α-helix	trans	-61.4	-41.9	179.9	-70.1	173	0	0	0	111.7	I361 V364 I441 F449	I361-L445 HydrophobicContact CG2-CD1 4.15Å; V364-L445 HydrophobicContact CG1-CB 3.9Å; I441-L445 HydrophobicContact CG2-CD1 3.91Å; I441-L445 HydrophobicContact CG2-CG 4.49Å; I441-L445 WeakPolarHBondContact O-CB 3.32Å; I441-L445 VanDerWaalsContact O-CG 3.31Å; I441-L445 WeakPolarHBondContact O-CG 3.41Å; I441-L445 PolarHBondContact O-N 3.36Å; L445-F449 WeakPolarHBondContact O-CB 3.47Å; L445-F449 PolarHBondContact O-N 3.41Å
446	Q	96	Very high	93.3	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-67.2	-45.3	179.3	-173.7	176	-77.9	0	0	112.4	V364 Q442 M443 V444 Y448 F449 V450 N480 Y522 C526	V364-Q446 HydrophobicContact CG2-CB 3.82Å; V364-Q446 HydrophobicContact CG2-CG 4.12Å; Q442-Q446 VanDerWaalsContact O-CB 3.24Å; Q442-Q446 WeakPolarHBondContact O-CB 3.49Å; Q442-Q446 PolarHBondContact O-N 3.38Å; M443-Q446 PolarHBondContact O-N 3.46Å; V444-Q446 VanDerWaalsContact C-N 3.33Å; V444-Q446 PolarHBondContact O-N 2.9Å; Q446-Y448 VanDerWaalsContact C-N 3.28Å; Q446-Y448 PolarHBondContact O-N 3.09Å; Q446-F449 PolarHBondContact O-N 2.97Å; Q446-F449 VanDerWaalsContact O-N 3.15Å; Q446-V450 HydrophobicContact CG-CG2 4.38Å; Q446-V450 WeakPolarHBondContact O-CG2 3.19Å; Q446-V450 PolarHBondContact O-N 3.33Å; Q446-N480 PolarHBondContact NE2-ND2 2.83Å; Q446-N480 PolarHBondContact NE2-OD1 3.47Å; Q446-N480 PolarHBondContact OE1-ND2 2.94Å; Q446-N480 PolarHBondContact OE1-OD1 3.12Å; Q446-Y522 PolarHBondContact NE2-OH 3.3Å; Q446-C526 PolarHBondContact NE2-SG 2.92Å
447	T	95.1	Very high	92.9	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.043	16%	0.163	C	C	.	.	H	α-helix	trans	-57	-45.9	179.2	-61.1	0	0	0	0	110.3	L390 Y391 F394 M443 V444 V450 Q451 Y522	L390-T447 HydrophobicContact CD2-CG2 4.26Å; L390-T447 HydrophobicContact CG-CG2 4.21Å; Y391-T447 HydrophobicContact CE1-CG2 4.41Å; F394-T447 HydrophobicContact CB-CG2 4.33Å; F394-T447 HydrophobicContact CD2-CG2 4.21Å; F394-T447 VanDerWaalsContact CD2-OG1 3.3Å; F394-T447 WeakPolarHBondContact CD2-OG1 3.44Å; F394-T447 HydrophobicContact CG-CG2 4.17Å; M443-T447 WeakPolarHBondContact O-CB 3.32Å; M443-T447 PolarHBondContact O-N 3.16Å; M443-T447 PolarHBondContact O-OG1 3.43Å; V444-T447 PolarHBondContact O-N 3.15Å; T447-V450 PolarHBondContact O-N 2.99Å; T447-Q451 PolarHBondContact O-N 3.25Å; T447-Y522 PolarHBondContact OG1-OH 3.03Å; T447-Y522 VanDerWaalsContact OG1-OH 3.12Å
448	Y	94.2	Very high	92.4	Very high	127 Å²	127	32 Å²	32	50%	0.498	15%	0.148	S	C	.	.	H	α-helix	trans	-65.2	-40	176.3	-176.8	-112.9	0	0	0	113.2	F368 V444 Q446 Q451 D452	F368-Y448 HydrophobicContact CE2-CD1 4.37Å; F368-Y448 AromaticContact CE2-CE1 3.93Å; F368-Y448 HydrophobicContact CE2-CE1 3.93Å; F368-Y448 HydrophobicContact CZ-CD1 4.46Å; F368-Y448 AromaticContact CZ-CE1 3.76Å; F368-Y448 HydrophobicContact CZ-CE1 3.76Å; V444-Y448 PolarHBondContact O-N 3.09Å; Q446-Y448 VanDerWaalsContact C-N 3.28Å; Q446-Y448 PolarHBondContact O-N 3.09Å; Y448-Q451 PolarHBondContact O-N 3.13Å; Y448-D452 WeakPolarHBondContact O-CB 3.47Å; Y448-D452 PolarHBondContact O-N 3.13Å
449	F	94.7	Very high	91.5	Very high	1 Å²	1	28.8 Å²	28.8	0%	0.004	14%	0.136	C	C	.	.	H	α-helix	trans	-63.2	-39.8	174.3	165.9	-99.2	0	0	0	113	V364 A367 F368 T371 L445 Q446 S453 I473 L476 L530	V364-F449 HydrophobicContact CG1-CB 3.93Å; V364-F449 HydrophobicContact CG1-CG 4.47Å; A367-F449 HydrophobicContact CB-CD2 4.16Å; A367-F449 HydrophobicContact CB-CE1 4.08Å; A367-F449 HydrophobicContact CB-CE2 3.52Å; A367-F449 HydrophobicContact CB-CZ 3.49Å; A367-F449 VanDerWaalsContact CB-CZ 3.49Å; F368-F449 HydrophobicContact CB-CD2 3.94Å; F368-F449 HydrophobicContact CD2-CD2 4.2Å; T371-F449 HydrophobicContact CG2-CE2 4Å; T371-F449 HydrophobicContact CG2-CZ 4.28Å; L445-F449 WeakPolarHBondContact O-CB 3.47Å; L445-F449 PolarHBondContact O-N 3.41Å; Q446-F449 PolarHBondContact O-N 2.97Å; Q446-F449 VanDerWaalsContact O-N 3.15Å; F449-S453 WeakPolarHBondContact CZ-OG 3.47Å; F449-S453 VanDerWaalsContact O-CB 3.32Å; F449-S453 WeakPolarHBondContact O-CB 3.41Å; F449-S453 PolarHBondContact O-N 2.98Å; F449-S453 PolarHBondContact O-OG 3.29Å; F449-I473 HydrophobicContact CE1-CG1 4.23Å; F449-I473 HydrophobicContact CZ-CD1 4.2Å; F449-I473 HydrophobicContact CZ-CG1 3.82Å; F449-L476 HydrophobicContact CD1-CD1 4.42Å; F449-L476 HydrophobicContact CE1-CD1 4.24Å; F449-L530 HydrophobicContact CD1-CD2 4.33Å; F449-L530 HydrophobicContact CE1-CD2 3.83Å
450	V	93.3	Very high	90.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.7	-43.4	177	173.2	0	0	0	0	110.3	L390 Q446 T447 S453 F454 C529 L530	L390-V450 HydrophobicContact CD2-CB 3.98Å; L390-V450 HydrophobicContact CD2-CG1 3.61Å; Q446-V450 HydrophobicContact CG-CG2 4.38Å; Q446-V450 WeakPolarHBondContact O-CG2 3.19Å; Q446-V450 PolarHBondContact O-N 3.33Å; T447-V450 PolarHBondContact O-N 2.99Å; V450-S453 WeakPolarHBondContact O-CB 3.43Å; V450-S453 PolarHBondContact O-N 2.92Å; V450-F454 HydrophobicContact CG1-CE1 4.41Å; V450-F454 HydrophobicContact CG1-CE2 4.1Å; V450-F454 HydrophobicContact CG1-CZ 3.9Å; V450-F454 PolarHBondContact O-N 3.43Å; V450-F454 VanDerWaalsContact O-N 3.16Å; V450-C529 HydrophobicContact CG1-CB 3.57Å; V450-L530 HydrophobicContact CG2-CD2 3.92Å; V450-L530 HydrophobicContact CG2-CG 4.15Å
451	Q	91.8	Very high	89.8	Confident	44 Å²	44	37.9 Å²	37.9	21%	0.206	18%	0.176	C	C	.	.	H	α-helix	trans	-58.3	-55.4	173.8	-168.8	-164.4	18.6	0	0	111.8	E387 Y391 T447 Y448 S453 F454 Y455	E387-Q451 HydrophobicContact CG-CG 4.46Å; E387-Q451 VanDerWaalsContact OE1-CG 3.3Å; E387-Q451 WeakPolarHBondContact OE1-CG 3.33Å; E387-Q451 PolarHBondContact OE1-NE2 3.39Å; Y391-Q451 PolarHBondContact OH-NE2 3.26Å; Y391-Q451 PolarHBondContact OH-OE1 3.38Å; T447-Q451 PolarHBondContact O-N 3.25Å; Y448-Q451 PolarHBondContact O-N 3.13Å; Q451-S453 PolarHBondContact O-N 2.82Å; Q451-S453 VanDerWaalsContact O-N 3.15Å; Q451-F454 WeakPolarHBondContact O-CB 3.44Å; Q451-F454 PolarHBondContact O-N 2.68Å; Q451-Y455 HydrophobicContact CG-CE2 4.34Å; Q451-Y455 WeakPolarHBondContact O-CD2 3.45Å
452	D	90.7	Very high	88.9	Confident	14 Å²	14	39.3 Å²	39.3	8%	0.075	18%	0.181	C	C	.	.	H	α-helix	trans	-56.6	-31.8	178.3	177.5	65.5	0	0	0	111.9	F368 F376 Y448 Y455 R456	F368-D452 HydrophobicContact CE2-CB 4.26Å; F368-D452 WeakPolarHBondContact CE2-OD2 3.45Å; F376-D452 WeakPolarHBondContact CE1-OD1 3.4Å; Y448-D452 WeakPolarHBondContact O-CB 3.47Å; Y448-D452 PolarHBondContact O-N 3.13Å; D452-Y455 PolarHBondContact O-N 3.49Å; D452-R456 VanDerWaalsContact CG-NE 3.33Å; D452-R456 VanDerWaalsContact CG-NH2 3.27Å; D452-R456 WeakPolarHBondContact O-CG 3.24Å; D452-R456 PolarHBondContact O-N 3.23Å; D452-R456 IonicContact OD1-CZ 3.24Å; D452-R456 IonicContact OD1-NE 3.85Å; D452-R456 PolarHBondContact OD1-NE 2.91Å; D452-R456 IonicContact OD1-NH2 3.85Å; D452-R456 PolarHBondContact OD1-NH2 2.76Å; D452-R456 IonicContact OD2-CZ 2.93Å; D452-R456 VanDerWaalsContact OD2-CZ 3.25Å; D452-R456 IonicContact OD2-NE 2.7Å; D452-R456 PolarHBondContact OD2-NE 3.01Å; D452-R456 IonicContact OD2-NH2 2.94Å; D452-R456 PolarHBondContact OD2-NH2 3.21Å
453	S	90.4	Very high	88.1	Confident	3 Å²	3	41 Å²	41	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-68.2	-36.1	174.3	-64	0	0	0	0	113.8	F449 V450 Q451 Y455 R456 L537	F449-S453 WeakPolarHBondContact CZ-OG 3.47Å; F449-S453 VanDerWaalsContact O-CB 3.32Å; F449-S453 WeakPolarHBondContact O-CB 3.41Å; F449-S453 PolarHBondContact O-N 2.98Å; F449-S453 PolarHBondContact O-OG 3.29Å; V450-S453 WeakPolarHBondContact O-CB 3.43Å; V450-S453 PolarHBondContact O-N 2.92Å; Q451-S453 PolarHBondContact O-N 2.82Å; Q451-S453 VanDerWaalsContact O-N 3.15Å; S453-Y455 PolarHBondContact O-N 2.87Å; S453-R456 PolarHBondContact O-N 2.99Å; S453-R456 VanDerWaalsContact O-N 3.09Å; S453-L537 WeakPolarHBondContact O-CD2 3.24Å
454	F	87.8	Confident	87.3	Confident	6 Å²	6	43.2 Å²	43.2	3%	0.026	20%	0.199	C	C	.	.	H	α-helix	trans	-61.5	-33.7	174.9	-66.7	-35.8	0	0	0	112.4	D386 E387 V450 Q451 R456 C529 R544	D386-F454 HydrophobicContact CB-CE2 4.37Å; D386-F454 HydrophobicContact CB-CZ 3.87Å; E387-F454 HydrophobicContact CB-CD2 4.06Å; E387-F454 HydrophobicContact CB-CE2 4Å; V450-F454 HydrophobicContact CG1-CE1 4.41Å; V450-F454 HydrophobicContact CG1-CE2 4.1Å; V450-F454 HydrophobicContact CG1-CZ 3.9Å; V450-F454 PolarHBondContact O-N 3.43Å; V450-F454 VanDerWaalsContact O-N 3.16Å; Q451-F454 WeakPolarHBondContact O-CB 3.44Å; Q451-F454 PolarHBondContact O-N 2.68Å; F454-R456 VanDerWaalsContact C-N 3.33Å; F454-C529 HydrophobicContact CE1-CB 4.35Å; F454-C529 HydrophobicContact CZ-CB 3.94Å; F454-R544 PolarHBondContact O-NH1 2.91Å; F454-R544 PolarHBondContact O-NH2 3.36Å
455	Y	86.6	Confident	86.5	Confident	75 Å²	75	45.1 Å²	45.1	29%	0.294	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	5.1	177.3	-64.6	-87	0	0	0	113.6	F376 S377 A379 E387 Q451 D452 S453	F376-Y455 CarbonylContact C-O 3.58Å; F376-Y455 VanDerWaalsContact CA-O 3.24Å; F376-Y455 WeakPolarHBondContact CA-O 3.38Å; S377-Y455 PolarHBondContact N-O 2.87Å; A379-Y455 HydrophobicContact CB-CD1 3.91Å; A379-Y455 HydrophobicContact CB-CE1 3.42Å; A379-Y455 VanDerWaalsContact CB-CE1 3.42Å; A379-Y455 HydrophobicContact CB-CE2 4.36Å; E387-Y455 WeakPolarHBondContact OE2-CE2 3.46Å; E387-Y455 PolarHBondContact OE2-OH 3.42Å; Q451-Y455 HydrophobicContact CG-CE2 4.34Å; Q451-Y455 WeakPolarHBondContact O-CD2 3.45Å; D452-Y455 PolarHBondContact O-N 3.49Å; S453-Y455 PolarHBondContact O-N 2.87Å
456	R	87.8	Confident	85.7	Confident	10 Å²	10	47.8 Å²	47.8	4%	0.038	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	148	178.6	-77.9	177.4	-167.9	-60.1	-17	114.3	T371 R372 L374 K375 F376 D452 S453 F454 L537 R544	T371-R456 WeakPolarHBondContact O-CD 3.43Å; R372-R456 PolarHBondContact O-NH1 3.48Å; L374-R456 HydrophobicContact CB-CB 4.22Å; L374-R456 HydrophobicContact CB-CG 4.41Å; L374-R456 PolarHBondContact O-NH1 3.23Å; K375-R456 CarbonylContact O-C 3.58Å; K375-R456 VanDerWaalsContact O-CA 3.31Å; K375-R456 WeakPolarHBondContact O-CA 3.27Å; F376-R456 HydrophobicContact CD1-CG 4.42Å; F376-R456 HydrophobicContact CE1-CG 4.43Å; D452-R456 VanDerWaalsContact CG-NE 3.33Å; D452-R456 VanDerWaalsContact CG-NH2 3.27Å; D452-R456 WeakPolarHBondContact O-CG 3.24Å; D452-R456 PolarHBondContact O-N 3.23Å; D452-R456 IonicContact OD1-CZ 3.24Å; D452-R456 IonicContact OD1-NE 3.85Å; D452-R456 PolarHBondContact OD1-NE 2.91Å; D452-R456 IonicContact OD1-NH2 3.85Å; D452-R456 PolarHBondContact OD1-NH2 2.76Å; D452-R456 IonicContact OD2-CZ 2.93Å; D452-R456 VanDerWaalsContact OD2-CZ 3.25Å; D452-R456 IonicContact OD2-NE 2.7Å; D452-R456 PolarHBondContact OD2-NE 3.01Å; D452-R456 IonicContact OD2-NH2 2.94Å; D452-R456 PolarHBondContact OD2-NH2 3.21Å; S453-R456 PolarHBondContact O-N 2.99Å; S453-R456 VanDerWaalsContact O-N 3.09Å; F454-R456 VanDerWaalsContact C-N 3.33Å; R456-L537 HydrophobicContact CB-CD2 3.56Å; R456-R544 PolarHBondContact O-NH1 3.16Å
457	C	84.8	Confident	85.3	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	166.4	171.4	-128.4	0	0	0	0	112.2	K375 K536 L537 E539 R544	K375-C457 PolarHBondContact N-O 3.49Å; K375-C457 PolarHBondContact O-N 3.48Å; C457-K536 PolarHBondContact SG-O 3.38Å; C457-K536 VanDerWaalsContact SG-O 3.4Å; C457-L537 CarbonylContact C-O 3.5Å; C457-E539 PolarHBondContact SG-O 3.21Å; C457-E539 VanDerWaalsContact SG-O 3.32Å; C457-R544 WeakPolarHBondContact SG-CD 3.41Å
458	S	84	Confident	84.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.243	C	C	.	.			trans	-70.7	146	170.8	73.9	0	0	0	0	112.4	Q464 L537 E539	S458-Q464 WeakPolarHBondContact OG-CG 3.47Å; S458-Q464 PolarHBondContact OG-NE2 3.44Å; S458-L537 PolarHBondContact N-O 3.17Å; S458-L537 VanDerWaalsContact N-O 3.13Å; S458-E539 PolarHBondContact OG-O 3.28Å
459	D	77.2	Confident	84.6	Confident	40 Å²	40	45.7 Å²	45.7	21%	0.214	22%	0.22	C	C	.	.			trans	-118.3	-5.7	172.3	-170	71.2	0	0	0	112.6	K375 R791	K375-D459 HydrophobicContact CB-CB 3.95Å; K375-D459 HydrophobicContact CD-CB 3.63Å; K375-D459 WeakPolarHBondContact CD-OD1 3.37Å; K375-D459 WeakPolarHBondContact CE-OD1 3.48Å; K375-D459 HydrophobicContact CG-CB 4.48Å; K375-D459 IonicContact NZ-OD1 2.71Å; K375-D459 PolarHBondContact NZ-OD1 3.47Å; D459-R791 IonicContact OD2-NH1 2.62Å
460	R	77	Confident	84.4	Confident	142 Å²	142	48.5 Å²	48.5	54%	0.536	23%	0.231	S	C	.	.	S	Bend	trans	-139.2	144.5	-179	-60.2	-170.1	179.6	-166.5	-3.1	111.2	E462 Q463 Q464	R460-E462 HydrophobicContact CB-CB 4.25Å; R460-E462 WeakPolarHBondContact CD-OE2 3.39Å; R460-E462 IonicContact CZ-OE2 3.26Å; R460-E462 IonicContact NE-OE2 2.72Å; R460-E462 IonicContact NH1-OE1 3.23Å; R460-E462 IonicContact NH1-OE2 3.38Å; R460-E462 PolarHBondContact NH1-OE2 2.72Å; R460-E462 PolarHBondContact O-N 2.85Å; R460-Q463 HydrophobicContact CB-CG 4.29Å; R460-Q463 WeakPolarHBondContact O-CB 3.27Å; R460-Q463 PolarHBondContact O-N 3Å; R460-Q464 PolarHBondContact O-N 3.18Å
461	I	75.5	Confident	84.2	Confident	123 Å²	123	52.8 Å²	52.8	63%	0.631	25%	0.251	S	S	*	.	H	α-helix	trans	-57.2	-35.9	172.7	-56.8	173.1	0	0	0	110.7	Q463 Q464 I465	I461-Q463 VanDerWaalsContact C-N 3.28Å; I461-Q463 PolarHBondContact O-N 2.69Å; I461-Q464 CarbonylContact O-C 3.59Å; I461-Q464 WeakPolarHBondContact O-CA 3.2Å; I461-Q464 WeakPolarHBondContact O-CB 3.49Å; I461-Q464 PolarHBondContact O-N 2.97Å; I461-I465 HydrophobicContact CG2-CD1 3.93Å; I461-I465 HydrophobicContact CG2-CG1 4.36Å; I461-I465 WeakPolarHBondContact O-CG1 3.21Å; I461-I465 PolarHBondContact O-N 2.94Å
462	E	76.5	Confident	84.3	Confident	114 Å²	114	51 Å²	51	53%	0.533	24%	0.244	S	C	.	.	H	α-helix	trans	-49.9	-45.2	170.7	-60	169.2	158.6	0	0	112.6	R460 I465 V466	R460-E462 HydrophobicContact CB-CB 4.25Å; R460-E462 WeakPolarHBondContact CD-OE2 3.39Å; R460-E462 IonicContact CZ-OE2 3.26Å; R460-E462 IonicContact NE-OE2 2.72Å; R460-E462 IonicContact NH1-OE1 3.23Å; R460-E462 IonicContact NH1-OE2 3.38Å; R460-E462 PolarHBondContact NH1-OE2 2.72Å; R460-E462 PolarHBondContact O-N 2.85Å; E462-I465 PolarHBondContact O-N 3.47Å; E462-V466 WeakPolarHBondContact O-CB 3.34Å; E462-V466 WeakPolarHBondContact O-CG2 3.43Å; E462-V466 PolarHBondContact O-N 2.99Å
463	Q	80	Confident	84.4	Confident	35 Å²	35	50.4 Å²	50.4	16%	0.164	24%	0.24	C	C	.	.	H	α-helix	trans	-73.2	-29.4	179.6	-62.6	-179.9	-38.1	0	0	112	R373 L374 R460 I461 K467	R373-Q463 PolarHBondContact O-NE2 3.01Å; L374-Q463 HydrophobicContact CD2-CB 4.27Å; R460-Q463 HydrophobicContact CB-CG 4.29Å; R460-Q463 WeakPolarHBondContact O-CB 3.27Å; R460-Q463 PolarHBondContact O-N 3Å; I461-Q463 VanDerWaalsContact C-N 3.28Å; I461-Q463 PolarHBondContact O-N 2.69Å; Q463-K467 VanDerWaalsContact O-CA 3.31Å; Q463-K467 WeakPolarHBondContact O-CA 3.04Å; Q463-K467 PolarHBondContact O-N 3.29Å
464	Q	78.6	Confident	84.4	Confident	47 Å²	47	51.5 Å²	51.5	22%	0.22	25%	0.247	C	C	.	.	H	α-helix	trans	-73.7	-26.1	174.6	-61.5	172.6	-4.3	0	0	112.3	S458 R460 I461 K467	S458-Q464 WeakPolarHBondContact OG-CG 3.47Å; S458-Q464 PolarHBondContact OG-NE2 3.44Å; R460-Q464 PolarHBondContact O-N 3.18Å; I461-Q464 CarbonylContact O-C 3.59Å; I461-Q464 WeakPolarHBondContact O-CA 3.2Å; I461-Q464 WeakPolarHBondContact O-CB 3.49Å; I461-Q464 PolarHBondContact O-N 2.97Å; Q464-K467 WeakPolarHBondContact O-CE 3.49Å; Q464-K467 VanDerWaalsContact O-CG 3.27Å; Q464-K467 WeakPolarHBondContact O-CG 3.47Å
465	I	77.3	Confident	84.7	Confident	102 Å²	102	51.2 Å²	51.2	52%	0.523	25%	0.246	S	C	.	.	H	α-helix	trans	-83.4	-54.9	174.3	-64.6	166.5	0	0	0	110.4	I461 E462	I461-I465 HydrophobicContact CG2-CD1 3.93Å; I461-I465 HydrophobicContact CG2-CG1 4.36Å; I461-I465 WeakPolarHBondContact O-CG1 3.21Å; I461-I465 PolarHBondContact O-N 2.94Å; E462-I465 PolarHBondContact O-N 3.47Å
466	V	81.1	Confident	85	Confident	114 Å²	114	47.7 Å²	47.7	69%	0.691	23%	0.232	S	C	*	.	H	α-helix	trans	-71.9	-32.1	-174.4	175.4	0	0	0	0	112.7	E462	E462-V466 WeakPolarHBondContact O-CB 3.34Å; E462-V466 WeakPolarHBondContact O-CG2 3.43Å; E462-V466 PolarHBondContact O-N 2.99Å
467	K	86.2	Confident	85.2	Confident	61 Å²	61	48.7 Å²	48.7	27%	0.265	24%	0.238	S	C	.	.			trans	48.8	64.5	179.2	-55.6	-164.9	175.1	-160.2	0	114.3	Q463 Q464 R470 Y538	Q463-K467 VanDerWaalsContact O-CA 3.31Å; Q463-K467 WeakPolarHBondContact O-CA 3.04Å; Q463-K467 PolarHBondContact O-N 3.29Å; Q464-K467 WeakPolarHBondContact O-CE 3.49Å; Q464-K467 VanDerWaalsContact O-CG 3.27Å; Q464-K467 WeakPolarHBondContact O-CG 3.47Å; K467-R470 HydrophobicContact CB-CB 4.05Å; K467-R470 WeakPolarHBondContact O-CB 3.43Å; K467-R470 PolarHBondContact O-N 2.94Å; K467-Y538 VanDerWaalsContact CA-CE1 3.43Å; K467-Y538 HydrophobicContact CB-CD1 3.71Å; K467-Y538 HydrophobicContact CB-CD2 4.22Å; K467-Y538 HydrophobicContact CB-CE1 3.65Å; K467-Y538 HydrophobicContact CB-CE2 4.15Å; K467-Y538 HydrophobicContact CB-CG 4.01Å; K467-Y538 HydrophobicContact CD-CD1 4.29Å; K467-Y538 HydrophobicContact CD-CD2 3.81Å; K467-Y538 HydrophobicContact CD-CE2 4.41Å; K467-Y538 HydrophobicContact CD-CG 3.73Å; K467-Y538 HydrophobicContact CG-CD1 3.76Å; K467-Y538 HydrophobicContact CG-CD2 4.17Å; K467-Y538 HydrophobicContact CG-CE1 4.24Å; K467-Y538 HydrophobicContact CG-CG 3.72Å
468	P	86.8	Confident	85.6	Confident	27 Å²	27	49 Å²	49	18%	0.175	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	141.6	179.8	26.3	-35.7	0	0	0	112	L374 R470 Y538	L374-P468 HydrophobicContact CD2-CG 4.39Å; P468-R470 PolarHBondContact O-N 3.44Å; P468-Y538 WeakPolarHBondContact O-CE1 3.33Å; P468-Y538 PolarHBondContact O-OH 2.85Å
469	G	89.3	Confident	86.1	Confident	1 Å²	1	49 Å²	49	1%	0.01	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	-14.4	-178.1	0	0	0	0	0	114.9	Q370 Q471 S472 I473	Q370-G469 VanDerWaalsContact OE1-CA 3.25Å; G469-Q471 VanDerWaalsContact C-N 3.31Å; G469-Q471 PolarHBondContact O-N 3.35Å; G469-S472 PolarHBondContact O-N 3.1Å; G469-S472 VanDerWaalsContact O-N 3.14Å; G469-I473 WeakPolarHBondContact O-CG1 3.31Å; G469-I473 PolarHBondContact O-N 3.42Å
470	R	88.8	Confident	86.9	Confident	61 Å²	61	47.1 Å²	47.1	23%	0.23	23%	0.23	C	C	.	.	H	α-helix	trans	-61.2	-36.4	-169.8	-166.5	175.7	-168	-140.8	1.5	113.7	K467 P468 I473 V474 F534 Y538	K467-R470 HydrophobicContact CB-CB 4.05Å; K467-R470 WeakPolarHBondContact O-CB 3.43Å; K467-R470 PolarHBondContact O-N 2.94Å; P468-R470 PolarHBondContact O-N 3.44Å; R470-I473 PolarHBondContact O-N 3.07Å; R470-V474 WeakPolarHBondContact O-CG2 3.45Å; R470-V474 PolarHBondContact O-N 3.29Å; R470-V474 VanDerWaalsContact O-N 3.17Å; R470-F534 HydrophobicContact CG-CD2 3.63Å; R470-F534 HydrophobicContact CG-CE2 3.53Å; R470-F534 VanDerWaalsContact CZ-CZ 3.44Å; R470-Y538 WeakPolarHBondContact CA-OH 3.48Å; R470-Y538 HydrophobicContact CB-CE2 4.07Å; R470-Y538 WeakPolarHBondContact CB-OH 3.45Å; R470-Y538 HydrophobicContact CG-CE2 3.99Å; R470-Y538 PolarHBondContact N-OH 2.98Å
471	Q	90.7	Very high	87.5	Confident	90 Å²	90	43 Å²	43	42%	0.421	22%	0.219	S	C	.	.	H	α-helix	trans	-65.7	-45.5	178.3	-54.2	-164.9	-19	0	0	111.3	S311 G469 I473 V474 A475	S311-Q471 PolarHBondContact OG-OE1 3.47Å; G469-Q471 VanDerWaalsContact C-N 3.31Å; G469-Q471 PolarHBondContact O-N 3.35Å; Q471-I473 PolarHBondContact O-N 3.48Å; Q471-V474 PolarHBondContact O-N 3.17Å; Q471-A475 PolarHBondContact O-N 3.23Å
472	S	93	Very high	88.3	Confident	7 Å²	7	37.1 Å²	37.1	5%	0.049	19%	0.189	C	C	.	.	H	α-helix	trans	-64.4	-38	177.2	-50.9	0	0	0	0	112	Q370 G469 V474 A475 L476	Q370-S472 PolarHBondContact NE2-OG 3Å; G469-S472 PolarHBondContact O-N 3.1Å; G469-S472 VanDerWaalsContact O-N 3.14Å; S472-V474 PolarHBondContact O-N 3.31Å; S472-A475 PolarHBondContact O-N 3.37Å; S472-L476 VanDerWaalsContact O-CG 3.31Å; S472-L476 WeakPolarHBondContact O-CG 3.37Å; S472-L476 PolarHBondContact O-N 3.35Å
473	I	92.8	Very high	89.1	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.6	-40.9	175.3	-67	165.1	0	0	0	111.6	T371 F449 G469 R470 Q471 L476 L477 L530 F534 L537	T371-I473 HydrophobicContact CG2-CD1 4.25Å; F449-I473 HydrophobicContact CE1-CG1 4.23Å; F449-I473 HydrophobicContact CZ-CD1 4.2Å; F449-I473 HydrophobicContact CZ-CG1 3.82Å; G469-I473 WeakPolarHBondContact O-CG1 3.31Å; G469-I473 PolarHBondContact O-N 3.42Å; R470-I473 PolarHBondContact O-N 3.07Å; Q471-I473 PolarHBondContact O-N 3.48Å; I473-L476 PolarHBondContact O-N 2.99Å; I473-L477 WeakPolarHBondContact O-CB 3.41Å; I473-L477 PolarHBondContact O-N 3.2Å; I473-L530 HydrophobicContact CG2-CD2 4.34Å; I473-F534 HydrophobicContact CG2-CB 4.01Å; I473-L537 HydrophobicContact CD1-CD1 3.46Å; I473-L537 VanDerWaalsContact CD1-CD1 3.46Å
474	V	90.7	Very high	89.5	Confident	27 Å²	27	30.5 Å²	30.5	16%	0.164	16%	0.157	C	C	.	.	H	α-helix	trans	-71.2	-37.9	176.5	-177.5	0	0	0	0	111.7	A313 R470 Q471 S472 L476 L477 G478 F534	A313-V474 HydrophobicContact CB-CG1 3.86Å; R470-V474 WeakPolarHBondContact O-CG2 3.45Å; R470-V474 PolarHBondContact O-N 3.29Å; R470-V474 VanDerWaalsContact O-N 3.17Å; Q471-V474 PolarHBondContact O-N 3.17Å; S472-V474 PolarHBondContact O-N 3.31Å; V474-L476 VanDerWaalsContact C-N 3.33Å; V474-L476 PolarHBondContact O-N 3.25Å; V474-L477 WeakPolarHBondContact O-CB 3.35Å; V474-L477 PolarHBondContact O-N 2.87Å; V474-G478 PolarHBondContact O-N 3.2Å; V474-F534 HydrophobicContact CG2-CD2 3.48Å; V474-F534 VanDerWaalsContact CG2-CD2 3.48Å; V474-F534 HydrophobicContact CG2-CE2 3.21Å; V474-F534 HydrophobicContact CG2-CZ 4.16Å
475	A	93	Very high	90	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59.7	-44	173.6	0	0	0	0	0	111.3	G312 F315 F363 Q471 S472 L477 G478 I479	G312-A475 PolarHBondContact O-N 3.14Å; F315-A475 HydrophobicContact CD1-CB 3.91Å; F363-A475 HydrophobicContact CD1-CB 3.71Å; F363-A475 HydrophobicContact CD2-CB 4.08Å; F363-A475 HydrophobicContact CE1-CB 3.7Å; F363-A475 HydrophobicContact CE2-CB 4.09Å; F363-A475 HydrophobicContact CG-CB 3.9Å; F363-A475 HydrophobicContact CZ-CB 3.9Å; Q471-A475 PolarHBondContact O-N 3.23Å; S472-A475 PolarHBondContact O-N 3.37Å; A475-L477 PolarHBondContact O-N 2.87Å; A475-G478 PolarHBondContact O-N 3.4Å; A475-I479 WeakPolarHBondContact O-CG1 3.47Å; A475-I479 PolarHBondContact O-N 3.2Å
476	L	94.5	Very high	90.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.6	-37.2	174.2	-70.2	170.7	0	0	0	113.4	F363 V364 A367 F449 S472 I473 V474 G478 I479 N480 L530	F363-L476 HydrophobicContact CB-CD2 3.64Å; F363-L476 HydrophobicContact CB-CG 3.82Å; V364-L476 HydrophobicContact CG2-CD1 3.89Å; V364-L476 HydrophobicContact CG2-CD2 3.69Å; V364-L476 HydrophobicContact CG2-CG 4.46Å; A367-L476 HydrophobicContact CB-CD1 4.15Å; F449-L476 HydrophobicContact CD1-CD1 4.42Å; F449-L476 HydrophobicContact CE1-CD1 4.24Å; S472-L476 VanDerWaalsContact O-CG 3.31Å; S472-L476 WeakPolarHBondContact O-CG 3.37Å; S472-L476 PolarHBondContact O-N 3.35Å; I473-L476 PolarHBondContact O-N 2.99Å; V474-L476 VanDerWaalsContact C-N 3.33Å; V474-L476 PolarHBondContact O-N 3.25Å; L476-G478 VanDerWaalsContact C-N 3.31Å; L476-I479 PolarHBondContact O-N 3.01Å; L476-N480 PolarHBondContact O-N 3.07Å; L476-N480 PolarHBondContact O-ND2 2.87Å; L476-L530 HydrophobicContact CB-CD1 3.88Å; L476-L530 HydrophobicContact CB-CD2 4.48Å
477	L	92	Very high	90.8	Very high	32 Å²	32	19.1 Å²	19.1	17%	0.168	10%	0.095	C	C	.	.	H	α-helix	trans	-62.3	-41.8	174.9	-164	162	0	0	0	110.3	I473 V474 A475 L481 T527 L530	I473-L477 WeakPolarHBondContact O-CB 3.41Å; I473-L477 PolarHBondContact O-N 3.2Å; V474-L477 WeakPolarHBondContact O-CB 3.35Å; V474-L477 PolarHBondContact O-N 2.87Å; A475-L477 PolarHBondContact O-N 2.87Å; L477-L481 WeakPolarHBondContact O-CB 3.28Å; L477-L481 PolarHBondContact O-N 2.94Å; L477-L481 VanDerWaalsContact O-N 3.13Å; L477-T527 HydrophobicContact CD2-CG2 3.69Å; L477-T527 HydrophobicContact CG-CG2 3.79Å; L477-L530 HydrophobicContact CB-CB 4.49Å
478	G	91.9	Very high	90.6	Very high	6 Å²	6	16.2 Å²	16.2	6%	0.062	8%	0.082	C	C	.	.	H	α-helix	trans	-63.1	-45.8	171.4	0	0	0	0	0	113.6	V320 V474 A475 L476 N480 L481 A482	V320-G478 WeakPolarHBondContact CG2-O 3.32Å; V474-G478 PolarHBondContact O-N 3.2Å; A475-G478 PolarHBondContact O-N 3.4Å; L476-G478 VanDerWaalsContact C-N 3.31Å; G478-N480 PolarHBondContact O-N 3.25Å; G478-L481 PolarHBondContact O-N 3.21Å; G478-A482 VanDerWaalsContact O-CB 3.3Å; G478-A482 WeakPolarHBondContact O-CB 3.41Å; G478-A482 PolarHBondContact O-N 2.86Å
479	I	95	Very high	90.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.5	-41.5	179.8	-68.6	162.4	0	0	0	111.8	F315 L356 F359 F363 A475 L476 A482 L483	F315-I479 HydrophobicContact CE1-CD1 4.03Å; F315-I479 HydrophobicContact CE1-CG1 4.14Å; L356-I479 HydrophobicContact CB-CG2 4.48Å; L356-I479 HydrophobicContact CD2-CG2 4.37Å; F359-I479 HydrophobicContact CB-CD1 4Å; F363-I479 HydrophobicContact CD2-CD1 3.68Å; F363-I479 HydrophobicContact CE2-CD1 4.35Å; F363-I479 HydrophobicContact CG-CD1 4.47Å; A475-I479 WeakPolarHBondContact O-CG1 3.47Å; A475-I479 PolarHBondContact O-N 3.2Å; L476-I479 PolarHBondContact O-N 3.01Å; I479-A482 PolarHBondContact O-N 3.24Å; I479-L483 HydrophobicContact CG2-CD1 4.03Å; I479-L483 WeakPolarHBondContact O-CB 3.24Å; I479-L483 WeakPolarHBondContact O-CG 3.2Å; I479-L483 PolarHBondContact O-N 2.99Å
480	N	93.6	Very high	90.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-71.9	-36.2	178.4	-75.7	-87.5	0	0	0	112.5	Q446 L476 G478 A482 W484 R523 T527	Q446-N480 PolarHBondContact NE2-ND2 2.83Å; Q446-N480 PolarHBondContact NE2-OD1 3.47Å; Q446-N480 PolarHBondContact OE1-ND2 2.94Å; Q446-N480 PolarHBondContact OE1-OD1 3.12Å; L476-N480 PolarHBondContact O-N 3.07Å; L476-N480 PolarHBondContact O-ND2 2.87Å; G478-N480 PolarHBondContact O-N 3.25Å; N480-A482 VanDerWaalsContact C-N 3.33Å; N480-W484 VanDerWaalsContact O-CB 3.29Å; N480-W484 WeakPolarHBondContact O-CB 3.36Å; N480-W484 PolarHBondContact O-N 3.03Å; N480-R523 PolarHBondContact OD1-NH1 3.13Å; N480-T527 VanDerWaalsContact CB-OG1 3.25Å; N480-T527 WeakPolarHBondContact CB-OG1 3.11Å
481	L	90	Very high	89.3	Confident	56 Å²	56	14 Å²	14	29%	0.293	7%	0.071	S	C	.	.	H	α-helix	trans	-63.8	-40.3	171.5	-178	59.7	0	0	0	111.3	V320 L477 G478 W484 I485 T527	V320-L481 HydrophobicContact CG1-CD2 4.43Å; V320-L481 HydrophobicContact CG2-CB 4.23Å; V320-L481 HydrophobicContact CG2-CD2 4.14Å; V320-L481 HydrophobicContact CG2-CG 4.2Å; L477-L481 WeakPolarHBondContact O-CB 3.28Å; L477-L481 PolarHBondContact O-N 2.94Å; L477-L481 VanDerWaalsContact O-N 3.13Å; G478-L481 PolarHBondContact O-N 3.21Å; L481-W484 HydrophobicContact CD1-CE3 4.1Å; L481-W484 PolarHBondContact O-N 2.94Å; L481-I485 HydrophobicContact CG-CD1 4.31Å; L481-I485 VanDerWaalsContact O-CG1 3.31Å; L481-I485 WeakPolarHBondContact O-CG1 3.41Å; L481-I485 PolarHBondContact O-N 3.08Å; L481-T527 HydrophobicContact CB-CG2 4.4Å
482	A	93.2	Very high	88.2	Confident	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-63.1	-50	175.3	0	0	0	0	0	112.3	T319 V320 I323 L356 G478 I479 N480 W484 I485 Q486	T319-A482 HydrophobicContact CG2-CB 4.02Å; V320-A482 HydrophobicContact CG2-CB 4.2Å; I323-A482 HydrophobicContact CB-CB 4.37Å; I323-A482 HydrophobicContact CG1-CB 4.11Å; L356-A482 HydrophobicContact CD1-CB 4.25Å; L356-A482 HydrophobicContact CD2-CB 4.03Å; G478-A482 VanDerWaalsContact O-CB 3.3Å; G478-A482 WeakPolarHBondContact O-CB 3.41Å; G478-A482 PolarHBondContact O-N 2.86Å; I479-A482 PolarHBondContact O-N 3.24Å; N480-A482 VanDerWaalsContact C-N 3.33Å; A482-W484 VanDerWaalsContact C-N 3.28Å; A482-W484 PolarHBondContact O-N 3.29Å; A482-I485 PolarHBondContact O-N 3.2Å; A482-Q486 WeakPolarHBondContact O-CB 3.42Å; A482-Q486 PolarHBondContact O-N 2.62Å
483	L	92.3	Very high	87	Confident	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-59.5	-37.1	174.4	-74.9	168.3	0	0	0	112.4	E353 L356 I479 K487	E353-L483 HydrophobicContact CG-CD2 4.48Å; L356-L483 HydrophobicContact CB-CD2 3.7Å; L356-L483 HydrophobicContact CB-CG 4.01Å; L356-L483 HydrophobicContact CD1-CD2 3.76Å; L356-L483 HydrophobicContact CD1-CG 4.02Å; L356-L483 HydrophobicContact CG-CD2 4.38Å; I479-L483 HydrophobicContact CG2-CD1 4.03Å; I479-L483 WeakPolarHBondContact O-CB 3.24Å; I479-L483 WeakPolarHBondContact O-CG 3.2Å; I479-L483 PolarHBondContact O-N 2.99Å; L483-K487 WeakPolarHBondContact O-CB 3.49Å; L483-K487 WeakPolarHBondContact O-CG 3.45Å; L483-K487 PolarHBondContact O-N 3.38Å
484	W	89.8	Confident	85.9	Confident	9 Å²	9	10.7 Å²	10.7	3%	0.034	6%	0.056	C	C	.	.	H	α-helix	trans	-66.1	-43.4	175.2	175.8	87.2	0	0	0	112.1	F132 E264 N480 L481 A482 S488 F489 R523	F132-W484 AromaticContact CE1-CH2 3.61Å; F132-W484 HydrophobicContact CE1-CH2 3.61Å; F132-W484 HydrophobicContact CE1-CZ2 4.08Å; F132-W484 HydrophobicContact CE1-CZ3 4.26Å; F132-W484 AromaticContact CZ-CH2 3.93Å; F132-W484 HydrophobicContact CZ-CH2 3.93Å; F132-W484 HydrophobicContact CZ-CZ2 4.13Å; F132-W484 HydrophobicContact CZ-CZ3 4.39Å; E264-W484 HydrophobicContact CG-CZ2 3.6Å; E264-W484 PolarHBondContact OE1-NE1 2.91Å; N480-W484 VanDerWaalsContact O-CB 3.29Å; N480-W484 WeakPolarHBondContact O-CB 3.36Å; N480-W484 PolarHBondContact O-N 3.03Å; L481-W484 HydrophobicContact CD1-CE3 4.1Å; L481-W484 PolarHBondContact O-N 2.94Å; A482-W484 VanDerWaalsContact C-N 3.28Å; A482-W484 PolarHBondContact O-N 3.29Å; W484-S488 WeakPolarHBondContact O-CB 3.17Å; W484-S488 PolarHBondContact O-N 3.41Å; W484-S488 PolarHBondContact O-OG 2.87Å; W484-F489 HydrophobicContact CH2-CE2 4.41Å; W484-F489 HydrophobicContact CZ3-CE2 4.46Å; W484-R523 HydrophobicContact CB-CB 4.01Å
485	I	88.1	Confident	85.4	Confident	16 Å²	16	9.5 Å²	9.5	8%	0.082	5%	0.049	C	C	.	.	H	α-helix	trans	-59.7	-52	173.1	-70	167.6	0	0	0	109.4	V320 I323 I324 L481 A482 K487 S488 F489	V320-I485 HydrophobicContact CG1-CD1 3.95Å; I323-I485 HydrophobicContact CG2-CG2 4.33Å; I324-I485 HydrophobicContact CD1-CD1 4.13Å; I324-I485 HydrophobicContact CG1-CD1 3.93Å; I324-I485 HydrophobicContact CG1-CG2 4.38Å; L481-I485 HydrophobicContact CG-CD1 4.31Å; L481-I485 VanDerWaalsContact O-CG1 3.31Å; L481-I485 WeakPolarHBondContact O-CG1 3.41Å; L481-I485 PolarHBondContact O-N 3.08Å; A482-I485 PolarHBondContact O-N 3.2Å; I485-K487 PolarHBondContact O-N 3.44Å; I485-S488 PolarHBondContact O-N 2.97Å; I485-F489 HydrophobicContact CG2-CD2 4.01Å; I485-F489 VanDerWaalsContact O-CD2 3.27Å; I485-F489 WeakPolarHBondContact O-CD2 3.31Å; I485-F489 PolarHBondContact O-N 3.37Å
486	Q	89.4	Confident	84.7	Confident	3 Å²	3	9.8 Å²	9.8	1%	0.014	5%	0.05	C	C	.	.	H	α-helix	trans	-56.3	-53.5	-176.2	-159	-162.4	-11	0	0	111.8	I323 V349 A482 S488 F489 Q490	I323-Q486 HydrophobicContact CG2-CB 4.11Å; I323-Q486 HydrophobicContact CG2-CG 4.47Å; V349-Q486 PolarHBondContact O-NE2 3.37Å; A482-Q486 WeakPolarHBondContact O-CB 3.42Å; A482-Q486 PolarHBondContact O-N 2.62Å; Q486-S488 VanDerWaalsContact C-N 3.32Å; Q486-S488 PolarHBondContact O-N 3.43Å; Q486-F489 PolarHBondContact O-N 3.5Å; Q486-Q490 HydrophobicContact CG-CB 4.46Å; Q486-Q490 VanDerWaalsContact CG-CD 3.43Å; Q486-Q490 HydrophobicContact CG-CG 4.2Å; Q486-Q490 WeakPolarHBondContact O-CB 3.5Å; Q486-Q490 PolarHBondContact O-N 3.4Å
487	K	85.7	Confident	84	Confident	5 Å²	5	9.8 Å²	9.8	2%	0.022	5%	0.05	C	C	.	.	H	α-helix	trans	-68.9	-26.1	179.7	-68.1	176.9	-176	-74.8	0	113.5	E353 E439 L483 I485 M516 L520	E353-K487 VanDerWaalsContact OE1-CE 3.27Å; E353-K487 WeakPolarHBondContact OE1-CE 3.33Å; E353-K487 IonicContact OE1-NZ 3.91Å; E353-K487 PolarHBondContact OE1-NZ 2.95Å; E439-K487 VanDerWaalsContact CD-NZ 3.28Å; E439-K487 WeakPolarHBondContact OE1-CE 3.29Å; E439-K487 IonicContact OE1-NZ 3.78Å; E439-K487 PolarHBondContact OE1-NZ 3.4Å; E439-K487 WeakPolarHBondContact OE2-CE 3.31Å; E439-K487 IonicContact OE2-NZ 3.62Å; E439-K487 PolarHBondContact OE2-NZ 3.45Å; L483-K487 WeakPolarHBondContact O-CB 3.49Å; L483-K487 WeakPolarHBondContact O-CG 3.45Å; L483-K487 PolarHBondContact O-N 3.38Å; I485-K487 PolarHBondContact O-N 3.44Å; K487-M516 WeakPolarHBondContact O-CE 3.5Å; K487-L520 HydrophobicContact CB-CD2 3.53Å
488	S	82.2	Confident	83.2	Confident	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-73.7	-37.4	176.8	-65.3	0	0	0	0	113	W484 I485 Q486	W484-S488 WeakPolarHBondContact O-CB 3.17Å; W484-S488 PolarHBondContact O-N 3.41Å; W484-S488 PolarHBondContact O-OG 2.87Å; I485-S488 PolarHBondContact O-N 2.97Å; Q486-S488 VanDerWaalsContact C-N 3.32Å; Q486-S488 PolarHBondContact O-N 3.43Å
489	F	82.5	Confident	82.2	Confident	40 Å²	40	10.6 Å²	10.6	18%	0.175	5%	0.052	C	C	.	.	H	α-helix	trans	-116.8	-33.1	-167.3	-61.9	-68.9	0	0	0	115.2	Y257 T261 T327 V331 W484 I485 Q486	Y257-F489 VanDerWaalsContact CE1-O 3.24Å; Y257-F489 WeakPolarHBondContact CE1-O 3.22Å; Y257-F489 VanDerWaalsContact O-CE1 3.31Å; Y257-F489 WeakPolarHBondContact O-CE1 3.48Å; T261-F489 HydrophobicContact CG2-CE1 4.41Å; T261-F489 HydrophobicContact CG2-CZ 4.05Å; T327-F489 HydrophobicContact CG2-CB 3.48Å; T327-F489 VanDerWaalsContact CG2-CB 3.48Å; T327-F489 HydrophobicContact CG2-CG 4.33Å; V331-F489 WeakPolarHBondContact CG2-O 3.33Å; W484-F489 HydrophobicContact CH2-CE2 4.41Å; W484-F489 HydrophobicContact CZ3-CE2 4.46Å; I485-F489 HydrophobicContact CG2-CD2 4.01Å; I485-F489 VanDerWaalsContact O-CD2 3.27Å; I485-F489 WeakPolarHBondContact O-CD2 3.31Å; I485-F489 PolarHBondContact O-N 3.37Å; Q486-F489 PolarHBondContact O-N 3.5Å
490	Q	83.2	Confident	81.1	Confident	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-39.3	-177.6	-60.9	-178.8	0.9	0	0	113.7	T327 V349 E352 Q486 K492 S493 A494	T327-Q490 HydrophobicContact CG2-CG 4.01Å; T327-Q490 PolarHBondContact OG1-NE2 3.02Å; V349-Q490 HydrophobicContact CG2-CB 4.1Å; E352-Q490 PolarHBondContact OE1-NE2 3.07Å; E352-Q490 PolarHBondContact OE2-NE2 3.18Å; E352-Q490 PolarHBondContact OE2-OE1 3.06Å; Q486-Q490 HydrophobicContact CG-CB 4.46Å; Q486-Q490 VanDerWaalsContact CG-CD 3.43Å; Q486-Q490 HydrophobicContact CG-CG 4.2Å; Q486-Q490 WeakPolarHBondContact O-CB 3.5Å; Q486-Q490 PolarHBondContact O-N 3.4Å; Q490-K492 PolarHBondContact O-N 3.43Å; Q490-S493 PolarHBondContact O-N 3.3Å; Q490-S493 VanDerWaalsContact O-N 3.1Å; Q490-S493 PolarHBondContact O-OG 2.93Å; Q490-A494 PolarHBondContact O-N 2.83Å; Q490-A494 VanDerWaalsContact O-N 3.12Å
491	L	72.2	Confident	79.5	Confident	3 Å²	3	13 Å²	13	2%	0.016	6%	0.064	C	C	.	.	H	α-helix	trans	-52.6	-41.7	-164.9	-168.3	81.2	0	0	0	113.2	Y400 S493 D495 F498 F512 M516	Y400-L491 VanDerWaalsContact OH-CD2 3.32Å; Y400-L491 WeakPolarHBondContact OH-CD2 3.28Å; L491-S493 PolarHBondContact O-N 3.07Å; L491-D495 HydrophobicContact CD1-CB 3.93Å; L491-D495 HydrophobicContact CG-CB 4.18Å; L491-D495 WeakPolarHBondContact O-CB 3.19Å; L491-D495 PolarHBondContact O-N 3.12Å; L491-D495 VanDerWaalsContact O-N 3.09Å; L491-F498 HydrophobicContact CD2-CE2 3.98Å; L491-F498 HydrophobicContact CG-CD2 4.44Å; L491-F498 HydrophobicContact CG-CE2 4.06Å; L491-F498 WeakPolarHBondContact O-CD2 3.18Å; L491-F512 HydrophobicContact CD2-CZ 4.15Å; L491-M516 HydrophobicContact CD2-CE 3.75Å; L491-M516 HydrophobicContact CD2-CG 4.38Å; L491-M516 HydrophobicContact CD2-SD 4.11Å
492	K	66.6	Low	77.8	Confident	17 Å²	17	12.7 Å²	12.7	7%	0.074	7%	0.065	C	C	.	.	H	α-helix	trans	-65	-33.1	-175.6	-64.1	171	165.7	-157.9	0	114.4	F256 Q490 F498 M516	F256-K492 HydrophobicContact CD1-CD 3.87Å; F256-K492 VanDerWaalsContact CD1-NZ 3.28Å; F256-K492 VanDerWaalsContact CD2-NZ 3.26Å; F256-K492 HydrophobicContact CE1-CD 3.52Å; F256-K492 HydrophobicContact CE1-CG 4.23Å; F256-K492 VanDerWaalsContact CG-NZ 3.31Å; F256-K492 HydrophobicContact CZ-CD 4.07Å; F256-K492 PolarHBondContact O-NZ 3.2Å; Q490-K492 PolarHBondContact O-N 3.43Å; K492-F498 HydrophobicContact CB-CE1 4.43Å; K492-F498 HydrophobicContact CG-CE1 4.36Å; K492-F498 HydrophobicContact CG-CZ 4.19Å; K492-M516 HydrophobicContact CG-CE 4.4Å
493	S	67.8	Low	75.9	Confident	9 Å²	9	18.5 Å²	18.5	6%	0.063	10%	0.095	C	C	.	.	H	α-helix	trans	-106.6	-13.9	-171.8	49.5	0	0	0	0	113.7	Y257 Q490 L491	Y257-S493 VanDerWaalsContact OH-CB 3.28Å; Y257-S493 WeakPolarHBondContact OH-CB 3.44Å; Y257-S493 PolarHBondContact OH-OG 2.59Å; Q490-S493 PolarHBondContact O-N 3.3Å; Q490-S493 VanDerWaalsContact O-N 3.1Å; Q490-S493 PolarHBondContact O-OG 2.93Å; L491-S493 PolarHBondContact O-N 3.07Å
494	A	70.7	Confident	74.1	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.008	12%	0.116	C	C	.	.	H	α-helix	trans	-137.5	0.1	-169.1	0	0	0	0	0	114.9	K345 C346 V349 Q490	K345-A494 HydrophobicContact CB-CB 3.65Å; C346-A494 WeakPolarHBondContact CA-O 3.17Å; C346-A494 PolarHBondContact N-O 3.01Å; C346-A494 PolarHBondContact SG-O 2.96Å; C346-A494 VanDerWaalsContact SG-O 3.35Å; V349-A494 HydrophobicContact CG2-CB 3.4Å; V349-A494 VanDerWaalsContact CG2-CB 3.4Å; Q490-A494 PolarHBondContact O-N 2.83Å; Q490-A494 VanDerWaalsContact O-N 3.12Å
495	D	79.7	Confident	72.5	Confident	3 Å²	3	24 Å²	24	2%	0.016	12%	0.12	C	C	.	.			trans	-82.4	141.9	171.4	-169.4	23.2	0	0	0	112.4	R432 L491 L497 F498 M499	R432-D495 IonicContact CZ-OD1 2.7Å; R432-D495 IonicContact NE-OD1 2.76Å; R432-D495 PolarHBondContact NE-OD1 3.17Å; R432-D495 IonicContact NE-OD2 2.79Å; R432-D495 IonicContact NH2-OD1 2.69Å; R432-D495 PolarHBondContact NH2-OD1 3.21Å; R432-D495 IonicContact NH2-OD2 3.33Å; L491-D495 HydrophobicContact CD1-CB 3.93Å; L491-D495 HydrophobicContact CG-CB 4.18Å; L491-D495 WeakPolarHBondContact O-CB 3.19Å; L491-D495 PolarHBondContact O-N 3.12Å; L491-D495 VanDerWaalsContact O-N 3.09Å; D495-L497 PolarHBondContact O-N 3.04Å; D495-F498 HydrophobicContact CB-CD2 4.24Å; D495-F498 PolarHBondContact O-N 3.28Å; D495-M499 PolarHBondContact O-N 3.32Å
496	I	79	Confident	71.5	Confident	5 Å²	5	27 Å²	27	3%	0.026	14%	0.139	C	C	.	.	H	α-helix	trans	-61.5	-30.4	179.8	-170.1	61.4	0	0	0	111.8	L343 L428 L429 R432 M499 L500	L343-I496 HydrophobicContact CD2-CD1 4.31Å; L428-I496 HydrophobicContact CB-CG1 4.22Å; L428-I496 HydrophobicContact CD1-CD1 4.32Å; L429-I496 HydrophobicContact CD2-CG1 4.49Å; L429-I496 HydrophobicContact CD2-CG2 4.33Å; R432-I496 HydrophobicContact CB-CG2 4.36Å; I496-M499 WeakPolarHBondContact O-CA 3.45Å; I496-M499 WeakPolarHBondContact O-CB 3.43Å; I496-M499 PolarHBondContact O-N 3.4Å; I496-L500 HydrophobicContact CD1-CD1 3.97Å; I496-L500 HydrophobicContact CG1-CD1 4.43Å; I496-L500 PolarHBondContact O-N 3.36Å
497	L	79.8	Confident	70.8	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-68.5	-48.4	-180	178.9	57.3	0	0	0	112.4	T404 L407 L411 D495 M499 L500 E501 W509 F512	T404-L497 HydrophobicContact CG2-CD2 4.05Å; L407-L497 HydrophobicContact CD2-CD1 3.63Å; L407-L497 HydrophobicContact CD2-CD2 4.01Å; L407-L497 HydrophobicContact CD2-CG 4.34Å; L407-L497 HydrophobicContact CG-CD1 3.7Å; L411-L497 HydrophobicContact CD1-CD1 3.52Å; D495-L497 PolarHBondContact O-N 3.04Å; L497-M499 PolarHBondContact O-N 3.5Å; L497-L500 PolarHBondContact O-N 3.39Å; L497-E501 PolarHBondContact O-N 3.3Å; L497-W509 HydrophobicContact CG-CZ3 4.14Å; L497-F512 HydrophobicContact CD2-CD1 4.05Å; L497-F512 HydrophobicContact CD2-CD2 3.8Å; L497-F512 HydrophobicContact CD2-CE1 3.85Å; L497-F512 HydrophobicContact CD2-CE2 3.57Å; L497-F512 HydrophobicContact CD2-CG 4.03Å; L497-F512 HydrophobicContact CD2-CZ 3.6Å; L497-F512 HydrophobicContact CG-CE1 4.45Å; L497-F512 HydrophobicContact CG-CZ 4.45Å
498	F	74.6	Confident	70.2	Confident	20 Å²	20	36.9 Å²	36.9	9%	0.088	18%	0.183	C	C	.	.	H	α-helix	trans	-60.2	-24.2	169.9	-84.2	-92.9	0	0	0	112.5	T216 K223 L491 K492 D495 W509 F512 M516	T216-F498 HydrophobicContact CG2-CE1 3.8Å; T216-F498 HydrophobicContact CG2-CZ 4.19Å; K223-F498 PolarHBondContact NZ-O 2.91Å; L491-F498 HydrophobicContact CD2-CE2 3.98Å; L491-F498 HydrophobicContact CG-CD2 4.44Å; L491-F498 HydrophobicContact CG-CE2 4.06Å; L491-F498 WeakPolarHBondContact O-CD2 3.18Å; K492-F498 HydrophobicContact CB-CE1 4.43Å; K492-F498 HydrophobicContact CG-CE1 4.36Å; K492-F498 HydrophobicContact CG-CZ 4.19Å; D495-F498 HydrophobicContact CB-CD2 4.24Å; D495-F498 PolarHBondContact O-N 3.28Å; F498-W509 AromaticContact CD1-CH2 3.82Å; F498-W509 HydrophobicContact CD1-CH2 3.82Å; F498-W509 AromaticContact CE1-CH2 3.88Å; F498-W509 HydrophobicContact CE1-CH2 3.88Å; F498-W509 HydrophobicContact CG-CH2 4.15Å; F498-W509 HydrophobicContact CZ-CH2 4.27Å; F498-F512 HydrophobicContact CD2-CE1 4.15Å; F498-F512 HydrophobicContact CD2-CZ 4.22Å; F498-F512 AromaticContact CE2-CE1 3.53Å; F498-F512 HydrophobicContact CE2-CE1 3.53Å; F498-F512 AromaticContact CE2-CZ 3.66Å; F498-F512 HydrophobicContact CE2-CZ 3.66Å; F498-F512 AromaticContact CZ-CE1 3.99Å; F498-F512 HydrophobicContact CZ-CE1 3.99Å; F498-F512 HydrophobicContact CZ-CZ 4.48Å; F498-M516 HydrophobicContact CZ-SD 4.46Å
499	M	71.7	Confident	70	Confident	35 Å²	35	37.9 Å²	37.9	17%	0.172	19%	0.186	C	C	.	.	H	α-helix	trans	-79.4	-37.8	175	-73.6	-53.6	-59.5	0	0	114.1	K223 L339 D495 I496 L497	K223-M499 PolarHBondContact NZ-O 2.78Å; L339-M499 HydrophobicContact CD1-CB 3.79Å; L339-M499 HydrophobicContact CD1-CE 3.62Å; L339-M499 HydrophobicContact CD1-CG 4.2Å; D495-M499 PolarHBondContact O-N 3.32Å; I496-M499 WeakPolarHBondContact O-CA 3.45Å; I496-M499 WeakPolarHBondContact O-CB 3.43Å; I496-M499 PolarHBondContact O-N 3.4Å; L497-M499 PolarHBondContact O-N 3.5Å
500	L	70.7	Confident	69.7	Low	35 Å²	35	38.8 Å²	38.8	18%	0.183	19%	0.193	C	C	.	.	H	α-helix	trans	-92.8	-16.6	-173.1	-112.4	69.7	0	0	0	116.4	L339 L411 L429 I496 L497 T502	L339-L500 HydrophobicContact CD2-CD1 3.97Å; L411-L500 HydrophobicContact CD1-CB 4.36Å; L429-L500 HydrophobicContact CD1-CD2 3.91Å; L429-L500 HydrophobicContact CD2-CD2 4.41Å; I496-L500 HydrophobicContact CD1-CD1 3.97Å; I496-L500 HydrophobicContact CG1-CD1 4.43Å; I496-L500 PolarHBondContact O-N 3.36Å; L497-L500 PolarHBondContact O-N 3.39Å; L500-T502 VanDerWaalsContact C-N 3.34Å; L500-T502 PolarHBondContact O-N 3.35Å
501	E	60.8	Low	69.5	Low	15 Å²	15	43.3 Å²	43.3	7%	0.07	22%	0.216	C	C	.	.			trans	-76.5	79.9	-172.6	-168.8	63.6	-109.5	0	0	113.2	L497 R504 G505 W509	L497-E501 PolarHBondContact O-N 3.3Å; E501-R504 PolarHBondContact OE1-N 3.12Å; E501-G505 PolarHBondContact OE1-N 2.9Å; E501-W509 HydrophobicContact CB-CD2 4.35Å; E501-W509 HydrophobicContact CB-CE3 4.08Å; E501-W509 HydrophobicContact CB-CZ3 4.23Å; E501-W509 HydrophobicContact CG-CB 4.25Å; E501-W509 HydrophobicContact CG-CD2 3.71Å; E501-W509 HydrophobicContact CG-CE3 3.84Å; E501-W509 HydrophobicContact CG-CG 3.89Å; E501-W509 HydrophobicContact CG-CZ3 4.45Å
502	T	54.3	Low	70	Confident	50 Å²	50	43.1 Å²	43.1	31%	0.307	22%	0.215	S	C	.	.	S	Bend	trans	-96.2	-24.8	174.8	-32.1	0	0	0	0	112.9	K224 L500	K224-T502 VanDerWaalsContact CD-O 3.27Å; K224-T502 WeakPolarHBondContact CD-O 3.41Å; K224-T502 WeakPolarHBondContact CE-O 3.49Å; K224-T502 HydrophobicContact CG-CG2 4.02Å; K224-T502 PolarHBondContact NZ-O 3.49Å; L500-T502 VanDerWaalsContact C-N 3.34Å; L500-T502 PolarHBondContact O-N 3.35Å
503	N	52.2	Low	70.5	Confident	121 Å²	121	42.6 Å²	42.6	65%	0.647	21%	0.213	S	C	*	.	S	Bend	trans	-175.6	12.6	178.2	-115.1	2.1	0	0	0	117.5	K224	K224-N503 PolarHBondContact NZ-OD1 3.42Å
504	R	54.3	Low	71.1	Confident	114 Å²	114	45 Å²	45	43%	0.43	23%	0.228	S	C	.	.	S	Bend	trans	-105.1	-18.4	-155.9	-77.4	-173.5	-179.9	141	12.4	117.2	L411 K414 I418 E501	L411-R504 HydrophobicContact CD2-CB 3.8Å; K414-R504 HydrophobicContact CD-CB 4.21Å; K414-R504 PolarHBondContact NZ-O 3.36Å; I418-R504 VanDerWaalsContact CD1-NH2 3.26Å; E501-R504 PolarHBondContact OE1-N 3.12Å
505	G	57.7	Low	71.6	Confident	11 Å²	11	45.4 Å²	45.4	11%	0.113	23%	0.23	C	C	.	.			trans	-139.7	44.6	-173.1	0	0	0	0	0	116.3	E501 Y507 G508 W509	E501-G505 PolarHBondContact OE1-N 2.9Å; G505-Y507 VanDerWaalsContact C-N 3.33Å; G505-Y507 PolarHBondContact O-N 3.38Å; G505-G508 CarbonylContact O-C 3.6Å; G505-G508 WeakPolarHBondContact O-CA 3.28Å; G505-G508 PolarHBondContact O-N 3.01Å; G505-W509 PolarHBondContact O-N 3.41Å
506	T	67.1	Low	71.5	Confident	80 Å²	80	46 Å²	46	49%	0.491	23%	0.233	S	C	.	.	H	α-helix	trans	-39.1	-50.7	-168.5	-39.9	0	0	0	0	115.6	I510	T506-I510 HydrophobicContact CG2-CD1 4.06Å; T506-I510 WeakPolarHBondContact O-CB 3.45Å; T506-I510 WeakPolarHBondContact O-CD1 3.16Å; T506-I510 WeakPolarHBondContact O-CG1 3.5Å; T506-I510 PolarHBondContact O-N 2.95Å
507	Y	73.9	Confident	71.3	Confident	198 Å²	198	46 Å²	46	78%	0.776	23%	0.234	S	C	*	.	H	α-helix	trans	-69.1	-41	178.1	-72.1	-75.3	0	0	0	113.7	G505 L511	G505-Y507 VanDerWaalsContact C-N 3.33Å; G505-Y507 PolarHBondContact O-N 3.38Å; Y507-L511 WeakPolarHBondContact O-CB 3.48Å; Y507-L511 WeakPolarHBondContact O-CG 3.48Å; Y507-L511 PolarHBondContact O-N 3.15Å
508	G	73.8	Confident	71.2	Confident	17 Å²	17	47.5 Å²	47.5	18%	0.175	24%	0.241	C	C	.	.	H	α-helix	trans	-65.6	-42.9	176	0	0	0	0	0	111.6	T403 G505 L511 F512	T403-G508 VanDerWaalsContact CG2-O 3.27Å; T403-G508 WeakPolarHBondContact CG2-O 3.28Å; G505-G508 CarbonylContact O-C 3.6Å; G505-G508 WeakPolarHBondContact O-CA 3.28Å; G505-G508 PolarHBondContact O-N 3.01Å; G508-L511 PolarHBondContact O-N 3.41Å; G508-F512 VanDerWaalsContact O-CB 3.32Å; G508-F512 WeakPolarHBondContact O-CB 3.3Å; G508-F512 PolarHBondContact O-N 3.39Å
509	W	77.2	Confident	71.5	Confident	20 Å²	20	46.9 Å²	46.9	8%	0.076	24%	0.239	C	C	.	.	H	α-helix	trans	-61.8	-47	174.9	-179.6	-113.6	0	0	0	111.8	T216 L407 L497 F498 E501 G505 L511 F512 V513	T216-W509 HydrophobicContact CG2-CH2 4.41Å; T216-W509 HydrophobicContact CG2-CZ2 3.91Å; L407-W509 HydrophobicContact CD2-CB 4.38Å; L407-W509 HydrophobicContact CD2-CE3 4.29Å; L497-W509 HydrophobicContact CG-CZ3 4.14Å; F498-W509 AromaticContact CD1-CH2 3.82Å; F498-W509 HydrophobicContact CD1-CH2 3.82Å; F498-W509 AromaticContact CE1-CH2 3.88Å; F498-W509 HydrophobicContact CE1-CH2 3.88Å; F498-W509 HydrophobicContact CG-CH2 4.15Å; F498-W509 HydrophobicContact CZ-CH2 4.27Å; E501-W509 HydrophobicContact CB-CD2 4.35Å; E501-W509 HydrophobicContact CB-CE3 4.08Å; E501-W509 HydrophobicContact CB-CZ3 4.23Å; E501-W509 HydrophobicContact CG-CB 4.25Å; E501-W509 HydrophobicContact CG-CD2 3.71Å; E501-W509 HydrophobicContact CG-CE3 3.84Å; E501-W509 HydrophobicContact CG-CG 3.89Å; E501-W509 HydrophobicContact CG-CZ3 4.45Å; G505-W509 PolarHBondContact O-N 3.41Å; W509-L511 PolarHBondContact O-N 3.02Å; W509-F512 AromaticContact CE3-CD1 3.72Å; W509-F512 HydrophobicContact CE3-CD1 3.72Å; W509-F512 HydrophobicContact CE3-CE1 4.19Å; W509-F512 HydrophobicContact CH2-CD1 4.35Å; W509-F512 HydrophobicContact CH2-CE1 4.15Å; W509-F512 AromaticContact CZ3-CD1 3.59Å; W509-F512 HydrophobicContact CZ3-CD1 3.59Å; W509-F512 AromaticContact CZ3-CE1 3.57Å; W509-F512 HydrophobicContact CZ3-CE1 3.57Å; W509-F512 PolarHBondContact O-N 3.22Å; W509-V513 HydrophobicContact CD2-CG2 3.95Å; W509-V513 HydrophobicContact CE3-CG2 4.4Å; W509-V513 HydrophobicContact CG-CG2 4.42Å; W509-V513 HydrophobicContact CH2-CG2 4.33Å; W509-V513 HydrophobicContact CZ2-CG2 3.87Å; W509-V513 WeakPolarHBondContact O-CB 3.36Å; W509-V513 VanDerWaalsContact O-CG2 3.26Å; W509-V513 WeakPolarHBondContact O-CG2 3.41Å; W509-V513 PolarHBondContact O-N 3.14Å
510	I	77.4	Confident	71.9	Confident	60 Å²	60	45.4 Å²	45.4	31%	0.308	23%	0.232	S	C	.	.	H	α-helix	trans	-58.6	-46.5	175.2	-71.2	165.2	0	0	0	110.8	L217 T506 F512 V513 V514	L217-I510 HydrophobicContact CD2-CG1 4.04Å; T506-I510 HydrophobicContact CG2-CD1 4.06Å; T506-I510 WeakPolarHBondContact O-CB 3.45Å; T506-I510 WeakPolarHBondContact O-CD1 3.16Å; T506-I510 WeakPolarHBondContact O-CG1 3.5Å; T506-I510 PolarHBondContact O-N 2.95Å; I510-F512 PolarHBondContact O-N 2.92Å; I510-V513 PolarHBondContact O-N 3.32Å; I510-V514 HydrophobicContact CG2-CG2 4.16Å; I510-V514 VanDerWaalsContact O-CB 3.3Å; I510-V514 WeakPolarHBondContact O-CB 3.36Å; I510-V514 WeakPolarHBondContact O-CG2 3.31Å; I510-V514 PolarHBondContact O-N 2.86Å
511	L	78.3	Confident	72.4	Confident	94 Å²	94	44.8 Å²	44.8	49%	0.492	23%	0.228	S	C	.	.	H	α-helix	trans	-63.6	-40.3	178.3	-75.3	169.8	0	0	0	112.7	T403 Y507 G508 W509 V514 T515	T403-L511 HydrophobicContact CG2-CB 3.69Å; Y507-L511 WeakPolarHBondContact O-CB 3.48Å; Y507-L511 WeakPolarHBondContact O-CG 3.48Å; Y507-L511 PolarHBondContact O-N 3.15Å; G508-L511 PolarHBondContact O-N 3.41Å; W509-L511 PolarHBondContact O-N 3.02Å; L511-V514 PolarHBondContact O-N 3.42Å; L511-T515 WeakPolarHBondContact O-CB 3.33Å; L511-T515 VanDerWaalsContact O-CG2 3.32Å; L511-T515 WeakPolarHBondContact O-CG2 3.43Å; L511-T515 PolarHBondContact O-N 3.39Å; L511-T515 PolarHBondContact O-OG1 2.76Å
512	F	81.9	Confident	73.7	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.7	-50.4	175.3	168.7	-102.7	0	0	0	110.9	Y400 T403 T404 L407 L491 L497 F498 G508 W509 I510 V514 T515 M516	Y400-F512 HydrophobicContact CD2-CD2 4.24Å; Y400-F512 HydrophobicContact CD2-CE2 4.49Å; Y400-F512 AromaticContact CE2-CD2 3.66Å; Y400-F512 HydrophobicContact CE2-CD2 3.66Å; Y400-F512 AromaticContact CE2-CE2 3.5Å; Y400-F512 HydrophobicContact CE2-CE2 3.5Å; Y400-F512 VanDerWaalsContact CE2-CE2 3.5Å; Y400-F512 HydrophobicContact CE2-CZ 4.36Å; Y400-F512 AromaticContact CZ-CE2 3.78Å; Y400-F512 WeakPolarHBondContact OH-CE2 3.47Å; T403-F512 HydrophobicContact CG2-CB 4.05Å; T404-F512 HydrophobicContact CG2-CD2 4.4Å; T404-F512 HydrophobicContact CG2-CE2 4.1Å; L407-F512 HydrophobicContact CD2-CB 4.38Å; L491-F512 HydrophobicContact CD2-CZ 4.15Å; L497-F512 HydrophobicContact CD2-CD1 4.05Å; L497-F512 HydrophobicContact CD2-CD2 3.8Å; L497-F512 HydrophobicContact CD2-CE1 3.85Å; L497-F512 HydrophobicContact CD2-CE2 3.57Å; L497-F512 HydrophobicContact CD2-CG 4.03Å; L497-F512 HydrophobicContact CD2-CZ 3.6Å; L497-F512 HydrophobicContact CG-CE1 4.45Å; L497-F512 HydrophobicContact CG-CZ 4.45Å; F498-F512 HydrophobicContact CD2-CE1 4.15Å; F498-F512 HydrophobicContact CD2-CZ 4.22Å; F498-F512 AromaticContact CE2-CE1 3.53Å; F498-F512 HydrophobicContact CE2-CE1 3.53Å; F498-F512 AromaticContact CE2-CZ 3.66Å; F498-F512 HydrophobicContact CE2-CZ 3.66Å; F498-F512 AromaticContact CZ-CE1 3.99Å; F498-F512 HydrophobicContact CZ-CE1 3.99Å; F498-F512 HydrophobicContact CZ-CZ 4.48Å; G508-F512 VanDerWaalsContact O-CB 3.32Å; G508-F512 WeakPolarHBondContact O-CB 3.3Å; G508-F512 PolarHBondContact O-N 3.39Å; W509-F512 AromaticContact CE3-CD1 3.72Å; W509-F512 HydrophobicContact CE3-CD1 3.72Å; W509-F512 HydrophobicContact CE3-CE1 4.19Å; W509-F512 HydrophobicContact CH2-CD1 4.35Å; W509-F512 HydrophobicContact CH2-CE1 4.15Å; W509-F512 AromaticContact CZ3-CD1 3.59Å; W509-F512 HydrophobicContact CZ3-CD1 3.59Å; W509-F512 AromaticContact CZ3-CE1 3.57Å; W509-F512 HydrophobicContact CZ3-CE1 3.57Å; W509-F512 PolarHBondContact O-N 3.22Å; I510-F512 PolarHBondContact O-N 2.92Å; F512-V514 PolarHBondContact O-N 3.06Å; F512-T515 PolarHBondContact O-N 3.17Å; F512-T515 PolarHBondContact O-OG1 3.04Å; F512-M516 WeakPolarHBondContact O-CB 3.34Å; F512-M516 PolarHBondContact O-N 3.44Å
513	V	78.1	Confident	75.4	Confident	5 Å²	5	41.9 Å²	41.9	3%	0.03	21%	0.21	C	C	.	.	H	α-helix	trans	-64.6	-38.3	179.2	173.4	0	0	0	0	112.3	I213 T216 W509 I510 P517	I213-V513 HydrophobicContact CB-CG1 4.1Å; I213-V513 HydrophobicContact CG1-CG1 4.13Å; I213-V513 HydrophobicContact CG2-CG1 3.98Å; T216-V513 HydrophobicContact CG2-CB 4.42Å; T216-V513 HydrophobicContact CG2-CG1 3.92Å; T216-V513 HydrophobicContact CG2-CG2 3.57Å; W509-V513 HydrophobicContact CD2-CG2 3.95Å; W509-V513 HydrophobicContact CE3-CG2 4.4Å; W509-V513 HydrophobicContact CG-CG2 4.42Å; W509-V513 HydrophobicContact CH2-CG2 4.33Å; W509-V513 HydrophobicContact CZ2-CG2 3.87Å; W509-V513 WeakPolarHBondContact O-CB 3.36Å; W509-V513 VanDerWaalsContact O-CG2 3.26Å; W509-V513 WeakPolarHBondContact O-CG2 3.41Å; W509-V513 PolarHBondContact O-N 3.14Å; I510-V513 PolarHBondContact O-N 3.32Å; V513-P517 VanDerWaalsContact O-CD 3.31Å; V513-P517 WeakPolarHBondContact O-CD 3.26Å
514	V	80.1	Confident	76.8	Confident	60 Å²	60	37.2 Å²	37.2	36%	0.364	18%	0.184	S	C	.	.	H	α-helix	trans	-71.3	-34.5	178.2	168.5	0	0	0	0	112.5	I213 I510 L511 F512 P517	I213-V514 HydrophobicContact CD1-CB 4.39Å; I213-V514 HydrophobicContact CD1-CG2 3.98Å; I213-V514 HydrophobicContact CG1-CG2 4.3Å; I213-V514 HydrophobicContact CG2-CG2 4.23Å; I510-V514 HydrophobicContact CG2-CG2 4.16Å; I510-V514 VanDerWaalsContact O-CB 3.3Å; I510-V514 WeakPolarHBondContact O-CB 3.36Å; I510-V514 WeakPolarHBondContact O-CG2 3.31Å; I510-V514 PolarHBondContact O-N 2.86Å; L511-V514 PolarHBondContact O-N 3.42Å; F512-V514 PolarHBondContact O-N 3.06Å; V514-P517 WeakPolarHBondContact O-CD 3.3Å
515	T	81.4	Confident	78.1	Confident	10 Å²	10	32.3 Å²	32.3	6%	0.061	17%	0.166	C	C	.	.	H	α-helix	trans	-88.5	-24.4	-177	55.5	0	0	0	0	113.7	N399 Y400 L511 F512 I518 S519	N399-T515 HydrophobicContact CB-CG2 4.3Å; Y400-T515 WeakPolarHBondContact CA-OG1 3.32Å; Y400-T515 WeakPolarHBondContact CB-OG1 3.38Å; L511-T515 WeakPolarHBondContact O-CB 3.33Å; L511-T515 VanDerWaalsContact O-CG2 3.32Å; L511-T515 WeakPolarHBondContact O-CG2 3.43Å; L511-T515 PolarHBondContact O-N 3.39Å; L511-T515 PolarHBondContact O-OG1 2.76Å; F512-T515 PolarHBondContact O-N 3.17Å; F512-T515 PolarHBondContact O-OG1 3.04Å; T515-I518 PolarHBondContact O-N 2.88Å; T515-S519 PolarHBondContact O-N 2.95Å
516	M	78.3	Confident	79.7	Confident	14 Å²	14	31.8 Å²	31.8	7%	0.069	16%	0.16	C	C	.	.	H	α-helix	trans	-51.2	-45.5	178.4	-176.8	-161.1	172.9	0	0	114.3	Y400 K487 L491 K492 F498 F512 I518 S519 L520	Y400-M516 HydrophobicContact CD2-CB 4.09Å; Y400-M516 HydrophobicContact CE2-CB 3.8Å; Y400-M516 HydrophobicContact CE2-CG 4.13Å; K487-M516 WeakPolarHBondContact O-CE 3.5Å; L491-M516 HydrophobicContact CD2-CE 3.75Å; L491-M516 HydrophobicContact CD2-CG 4.38Å; L491-M516 HydrophobicContact CD2-SD 4.11Å; K492-M516 HydrophobicContact CG-CE 4.4Å; F498-M516 HydrophobicContact CZ-SD 4.46Å; F512-M516 WeakPolarHBondContact O-CB 3.34Å; F512-M516 PolarHBondContact O-N 3.44Å; M516-I518 PolarHBondContact O-N 3.2Å; M516-S519 PolarHBondContact O-N 3.36Å; M516-S519 PolarHBondContact O-OG 2.99Å; M516-S519 VanDerWaalsContact O-OG 3.07Å; M516-L520 PolarHBondContact O-N 2.92Å
517	P	73.7	Confident	80.7	Confident	7 Å²	7	28.6 Å²	28.6	5%	0.045	14%	0.141	C	C	.	.	H	α-helix	trans	-62.8	-25.3	-179.9	-23.5	35.5	0	0	0	113.8	K212 V513 V514	K212-P517 HydrophobicContact CB-CG 4.42Å; K212-P517 HydrophobicContact CD-CB 4.11Å; K212-P517 HydrophobicContact CD-CG 3.98Å; V513-P517 VanDerWaalsContact O-CD 3.31Å; V513-P517 WeakPolarHBondContact O-CD 3.26Å; V514-P517 WeakPolarHBondContact O-CD 3.3Å
518	I	76.9	Confident	81.1	Confident	32 Å²	32	20 Å²	20	16%	0.164	11%	0.109	C	C	.	.	H	α-helix	trans	-94.7	-27.7	-175.6	-40.8	176.9	0	0	0	111.2	F396 T515 M516 L520 F521 Y522	F396-I518 HydrophobicContact CB-CB 3.77Å; F396-I518 HydrophobicContact CB-CD1 4.27Å; F396-I518 HydrophobicContact CB-CG2 3.48Å; F396-I518 VanDerWaalsContact CB-CG2 3.48Å; F396-I518 HydrophobicContact CD1-CD1 3.86Å; F396-I518 HydrophobicContact CD2-CD1 4.28Å; F396-I518 HydrophobicContact CD2-CG2 3.81Å; F396-I518 HydrophobicContact CE1-CD1 4.25Å; F396-I518 HydrophobicContact CG-CB 4.26Å; F396-I518 HydrophobicContact CG-CD1 3.88Å; F396-I518 HydrophobicContact CG-CG2 3.8Å; T515-I518 PolarHBondContact O-N 2.88Å; M516-I518 PolarHBondContact O-N 3.2Å; I518-L520 VanDerWaalsContact C-N 3.31Å; I518-L520 PolarHBondContact O-N 3.04Å; I518-F521 WeakPolarHBondContact O-CB 3.44Å; I518-F521 PolarHBondContact O-N 2.77Å; I518-Y522 PolarHBondContact O-N 2.82Å; I518-Y522 VanDerWaalsContact O-N 3.12Å
519	S	81.8	Confident	81.8	Confident	7 Å²	7	19.2 Å²	19.2	5%	0.049	10%	0.101	C	C	.	.	H	α-helix	trans	-67.1	-31.8	171.3	70.4	0	0	0	0	112.4	T515 M516 Y522 R523	T515-S519 PolarHBondContact O-N 2.95Å; M516-S519 PolarHBondContact O-N 3.36Å; M516-S519 PolarHBondContact O-OG 2.99Å; M516-S519 VanDerWaalsContact O-OG 3.07Å; S519-Y522 PolarHBondContact O-N 2.93Å; S519-R523 PolarHBondContact O-N 3.38Å
520	L	81	Confident	82.4	Confident	3 Å²	3	18.3 Å²	18.3	2%	0.016	10%	0.097	C	C	.	.	H	α-helix	trans	-59.7	-48.6	167.3	-66.4	177.6	0	0	0	111.7	K487 M516 I518 Y522 R523 Y524	K487-L520 HydrophobicContact CB-CD2 3.53Å; M516-L520 PolarHBondContact O-N 2.92Å; I518-L520 VanDerWaalsContact C-N 3.31Å; I518-L520 PolarHBondContact O-N 3.04Å; L520-Y522 VanDerWaalsContact C-N 3.29Å; L520-Y522 PolarHBondContact O-N 3.45Å; L520-R523 PolarHBondContact O-N 3.4Å; L520-Y524 PolarHBondContact O-N 2.83Å
521	F	79.2	Confident	82.8	Confident	23 Å²	23	15.8 Å²	15.8	10%	0.101	9%	0.085	C	C	.	.	H	α-helix	trans	-59.1	-37.7	178.8	172.9	-120.1	0	0	0	112.6	L267 L389 A393 I518 R523 Y524 H525	L267-F521 HydrophobicContact CD1-CB 4.23Å; L267-F521 HydrophobicContact CD1-CD2 3.56Å; L267-F521 HydrophobicContact CD1-CE2 4.14Å; L267-F521 HydrophobicContact CD1-CG 3.99Å; L389-F521 HydrophobicContact CD1-CE1 3.77Å; L389-F521 HydrophobicContact CD1-CZ 3.76Å; L389-F521 HydrophobicContact CD2-CZ 4.04Å; L389-F521 HydrophobicContact CG-CE1 4.16Å; L389-F521 HydrophobicContact CG-CZ 3.82Å; A393-F521 HydrophobicContact CB-CD1 3.77Å; A393-F521 HydrophobicContact CB-CE1 3.86Å; I518-F521 WeakPolarHBondContact O-CB 3.44Å; I518-F521 PolarHBondContact O-N 2.77Å; F521-R523 PolarHBondContact O-N 3.32Å; F521-Y524 PolarHBondContact O-N 2.98Å; F521-H525 HydrophobicContact CD2-CB 4.42Å; F521-H525 HydrophobicContact CE2-CB 3.97Å; F521-H525 HydrophobicContact CZ-CB 4.07Å; F521-H525 WeakPolarHBondContact O-CB 3.26Å; F521-H525 PolarHBondContact O-N 3.22Å
522	Y	88.9	Confident	83	Confident	1 Å²	1	12.6 Å²	12.6	0%	0.004	7%	0.068	C	C	.	.	H	α-helix	trans	-57.6	-47.2	172.3	167.1	-95.3	0	0	0	112.2	L390 A393 F394 A397 M443 Q446 T447 I518 S519 L520 Y524 H525 C526	L390-Y522 HydrophobicContact CD1-CD2 4.19Å; L390-Y522 HydrophobicContact CD1-CE2 3.79Å; A393-Y522 HydrophobicContact CB-CD2 4.27Å; F394-Y522 HydrophobicContact CB-CD2 4.05Å; F394-Y522 HydrophobicContact CB-CE2 4.04Å; F394-Y522 HydrophobicContact CD2-CE2 4.35Å; A397-Y522 HydrophobicContact CB-CD1 3.97Å; A397-Y522 HydrophobicContact CB-CG 3.77Å; M443-Y522 HydrophobicContact CB-CE1 4.47Å; M443-Y522 HydrophobicContact CG-CD1 4.34Å; M443-Y522 HydrophobicContact CG-CE1 3.56Å; M443-Y522 HydrophobicContact CG-CE2 4.32Å; M443-Y522 PolarHBondContact O-OH 2.71Å; M443-Y522 HydrophobicContact SD-CD1 3.91Å; M443-Y522 HydrophobicContact SD-CE1 3.72Å; Q446-Y522 PolarHBondContact NE2-OH 3.3Å; T447-Y522 PolarHBondContact OG1-OH 3.03Å; T447-Y522 VanDerWaalsContact OG1-OH 3.12Å; I518-Y522 PolarHBondContact O-N 2.82Å; I518-Y522 VanDerWaalsContact O-N 3.12Å; S519-Y522 PolarHBondContact O-N 2.93Å; L520-Y522 VanDerWaalsContact C-N 3.29Å; L520-Y522 PolarHBondContact O-N 3.45Å; Y522-Y524 VanDerWaalsContact C-N 3.33Å; Y522-Y524 PolarHBondContact O-N 3.03Å; Y522-H525 PolarHBondContact O-N 3.44Å; Y522-C526 VanDerWaalsContact CE2-SG 3.55Å; Y522-C526 VanDerWaalsContact O-CB 3.31Å; Y522-C526 WeakPolarHBondContact O-CB 3.43Å; Y522-C526 PolarHBondContact O-N 3.36Å; Y522-C526 PolarHBondContact OH-SG 3.31Å; Y522-C526 VanDerWaalsContact OH-SG 3.39Å
523	R	90.3	Very high	83.2	Confident	2 Å²	2	12.7 Å²	12.7	1%	0.008	7%	0.069	C	C	.	.	H	α-helix	trans	-64.1	-38.6	179.1	-67.2	-68.5	176.1	-167.4	-1.8	111.7	E439 N480 W484 S519 L520 F521 T527	E439-R523 IonicContact OE1-CZ 2.84Å; E439-R523 IonicContact OE1-NE 3.97Å; E439-R523 PolarHBondContact OE1-NE 2.75Å; E439-R523 IonicContact OE1-NH2 3.79Å; E439-R523 PolarHBondContact OE1-NH2 2.71Å; N480-R523 PolarHBondContact OD1-NH1 3.13Å; W484-R523 HydrophobicContact CB-CB 4.01Å; S519-R523 PolarHBondContact O-N 3.38Å; L520-R523 PolarHBondContact O-N 3.4Å; F521-R523 PolarHBondContact O-N 3.32Å; R523-T527 PolarHBondContact O-N 2.63Å; R523-T527 PolarHBondContact O-OG1 2.89Å
524	Y	81.3	Confident	83.5	Confident	24 Å²	24	13.8 Å²	13.8	9%	0.094	7%	0.073	C	C	.	.	H	α-helix	trans	-66.4	-52.3	174.1	-172.9	-100.6	0	0	0	112.4	F132 L268 L520 F521 Y522 C526 T527 V528	F132-Y524 HydrophobicContact CE2-CD2 4.36Å; F132-Y524 AromaticContact CE2-CE2 3.64Å; F132-Y524 HydrophobicContact CE2-CE2 3.64Å; F132-Y524 AromaticContact CE2-CZ 3.98Å; F132-Y524 HydrophobicContact CZ-CD2 4.45Å; F132-Y524 HydrophobicContact CZ-CE2 4.02Å; L268-Y524 HydrophobicContact CD1-CE1 4.36Å; L520-Y524 PolarHBondContact O-N 2.83Å; F521-Y524 PolarHBondContact O-N 2.98Å; Y522-Y524 VanDerWaalsContact C-N 3.33Å; Y522-Y524 PolarHBondContact O-N 3.03Å; Y524-C526 VanDerWaalsContact C-N 3.34Å; Y524-C526 PolarHBondContact O-N 3.49Å; Y524-T527 WeakPolarHBondContact O-CA 3.5Å; Y524-T527 VanDerWaalsContact O-CB 3.22Å; Y524-T527 WeakPolarHBondContact O-CB 3.3Å; Y524-T527 PolarHBondContact O-N 3.24Å; Y524-V528 HydrophobicContact CD1-CG2 4.15Å; Y524-V528 HydrophobicContact CE1-CG2 3.63Å; Y524-V528 PolarHBondContact O-N 2.91Å
525	H	82.6	Confident	83.4	Confident	10 Å²	10	13.9 Å²	13.9	5%	0.046	7%	0.071	C	C	.	.	H	α-helix	trans	-63.1	-37.9	-178.8	-171.7	59.3	0	0	0	112.3	D386 L390 F521 Y522 T527 V528 C529	D386-H525 PolarHBondContact O-NE2 2.64Å; D386-H525 IonicContact OD1-CE1 3.61Å; L390-H525 PolarHBondContact N-NE2 2.96Å; F521-H525 HydrophobicContact CD2-CB 4.42Å; F521-H525 HydrophobicContact CE2-CB 3.97Å; F521-H525 HydrophobicContact CZ-CB 4.07Å; F521-H525 WeakPolarHBondContact O-CB 3.26Å; F521-H525 PolarHBondContact O-N 3.22Å; Y522-H525 PolarHBondContact O-N 3.44Å; H525-T527 VanDerWaalsContact C-N 3.29Å; H525-T527 PolarHBondContact O-N 3.49Å; H525-V528 CarbonylContact O-C 3.53Å; H525-V528 WeakPolarHBondContact O-CA 3.32Å; H525-V528 WeakPolarHBondContact O-CB 3.48Å; H525-V528 PolarHBondContact O-N 2.85Å; H525-V528 VanDerWaalsContact O-N 3.09Å; H525-C529 PolarHBondContact NE2-SG 2.9Å; H525-C529 VanDerWaalsContact NE2-SG 3.37Å; H525-C529 PolarHBondContact O-N 3.32Å; H525-C529 PolarHBondContact O-SG 3.49Å
526	C	90	Very high	83.3	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-57.5	-40.5	169.6	-101.6	0	0	0	0	113.1	L390 Q446 Y522 Y524 V528 C529 L530	L390-C526 WeakPolarHBondContact CD1-SG 3.4Å; Q446-C526 PolarHBondContact NE2-SG 2.92Å; Y522-C526 VanDerWaalsContact CE2-SG 3.55Å; Y522-C526 VanDerWaalsContact O-CB 3.31Å; Y522-C526 WeakPolarHBondContact O-CB 3.43Å; Y522-C526 PolarHBondContact O-N 3.36Å; Y522-C526 PolarHBondContact OH-SG 3.31Å; Y522-C526 VanDerWaalsContact OH-SG 3.39Å; Y524-C526 VanDerWaalsContact C-N 3.34Å; Y524-C526 PolarHBondContact O-N 3.49Å; C526-V528 VanDerWaalsContact C-N 3.32Å; C526-V528 PolarHBondContact O-N 3.46Å; C526-C529 PolarHBondContact O-N 2.85Å; C526-L530 WeakPolarHBondContact O-CB 3.27Å; C526-L530 VanDerWaalsContact O-CG 3.23Å; C526-L530 WeakPolarHBondContact O-CG 3.22Å; C526-L530 PolarHBondContact O-N 2.87Å
527	T	88.4	Confident	83.7	Confident	14 Å²	14	13.7 Å²	13.7	9%	0.086	7%	0.069	C	C	.	.	H	α-helix	trans	-63.2	-39.8	175	-53.4	0	0	0	0	111	L477 N480 L481 R523 Y524 H525 S531	L477-T527 HydrophobicContact CD2-CG2 3.69Å; L477-T527 HydrophobicContact CG-CG2 3.79Å; N480-T527 VanDerWaalsContact CB-OG1 3.25Å; N480-T527 WeakPolarHBondContact CB-OG1 3.11Å; L481-T527 HydrophobicContact CB-CG2 4.4Å; R523-T527 PolarHBondContact O-N 2.63Å; R523-T527 PolarHBondContact O-OG1 2.89Å; Y524-T527 WeakPolarHBondContact O-CA 3.5Å; Y524-T527 VanDerWaalsContact O-CB 3.22Å; Y524-T527 WeakPolarHBondContact O-CB 3.3Å; Y524-T527 PolarHBondContact O-N 3.24Å; H525-T527 VanDerWaalsContact C-N 3.29Å; H525-T527 PolarHBondContact O-N 3.49Å; T527-S531 WeakPolarHBondContact O-CB 3.24Å; T527-S531 PolarHBondContact O-N 3.16Å
528	V	83	Confident	84.2	Confident	18 Å²	18	13.8 Å²	13.8	11%	0.109	7%	0.069	C	C	.	.	H	α-helix	trans	-64.2	-51.3	174	177.1	0	0	0	0	111.6	L125 Y524 H525 C526 L530 S531 Q532	L125-V528 HydrophobicContact CD1-CG1 3.92Å; L125-V528 HydrophobicContact CD1-CG2 3.89Å; Y524-V528 HydrophobicContact CD1-CG2 4.15Å; Y524-V528 HydrophobicContact CE1-CG2 3.63Å; Y524-V528 PolarHBondContact O-N 2.91Å; H525-V528 CarbonylContact O-C 3.53Å; H525-V528 WeakPolarHBondContact O-CA 3.32Å; H525-V528 WeakPolarHBondContact O-CB 3.48Å; H525-V528 PolarHBondContact O-N 2.85Å; H525-V528 VanDerWaalsContact O-N 3.09Å; C526-V528 VanDerWaalsContact C-N 3.32Å; C526-V528 PolarHBondContact O-N 3.46Å; V528-L530 PolarHBondContact O-N 2.93Å; V528-S531 WeakPolarHBondContact O-CA 3.41Å; V528-S531 WeakPolarHBondContact O-CB 3.34Å; V528-S531 PolarHBondContact O-N 2.83Å; V528-S531 PolarHBondContact O-OG 3.43Å; V528-Q532 PolarHBondContact O-N 3.48Å
529	C	87.7	Confident	84.3	Confident	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.7	-42	178.8	-62.4	0	0	0	0	112.4	V450 F454 H525 C526 S531 Q532 C533	V450-C529 HydrophobicContact CG1-CB 3.57Å; F454-C529 HydrophobicContact CE1-CB 4.35Å; F454-C529 HydrophobicContact CZ-CB 3.94Å; H525-C529 PolarHBondContact NE2-SG 2.9Å; H525-C529 VanDerWaalsContact NE2-SG 3.37Å; H525-C529 PolarHBondContact O-N 3.32Å; H525-C529 PolarHBondContact O-SG 3.49Å; C526-C529 PolarHBondContact O-N 2.85Å; C529-S531 VanDerWaalsContact C-N 3.28Å; C529-S531 PolarHBondContact O-N 3.22Å; C529-Q532 WeakPolarHBondContact O-CB 3.47Å; C529-Q532 PolarHBondContact O-N 3.47Å; C529-Q532 VanDerWaalsContact O-N 3.16Å; C529-C533 PolarHBondContact O-N 3.27Å; C529-C533 PolarHBondContact O-SG 3.08Å; C529-C533 VanDerWaalsContact O-SG 3.37Å
530	L	90.2	Very high	83.9	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-60.3	-38.3	172.8	-72.8	167.8	0	0	0	111.6	F449 V450 I473 L476 L477 C526 V528 Q532 C533 F534	F449-L530 HydrophobicContact CD1-CD2 4.33Å; F449-L530 HydrophobicContact CE1-CD2 3.83Å; V450-L530 HydrophobicContact CG2-CD2 3.92Å; V450-L530 HydrophobicContact CG2-CG 4.15Å; I473-L530 HydrophobicContact CG2-CD2 4.34Å; L476-L530 HydrophobicContact CB-CD1 3.88Å; L476-L530 HydrophobicContact CB-CD2 4.48Å; L477-L530 HydrophobicContact CB-CB 4.49Å; C526-L530 WeakPolarHBondContact O-CB 3.27Å; C526-L530 VanDerWaalsContact O-CG 3.23Å; C526-L530 WeakPolarHBondContact O-CG 3.22Å; C526-L530 PolarHBondContact O-N 2.87Å; V528-L530 PolarHBondContact O-N 2.93Å; L530-Q532 VanDerWaalsContact C-N 3.34Å; L530-Q532 PolarHBondContact O-N 2.92Å; L530-C533 PolarHBondContact O-N 2.89Å; L530-F534 WeakPolarHBondContact O-CB 3.01Å; L530-F534 PolarHBondContact O-N 3.44Å
531	S	85.5	Confident	83.7	Confident	7 Å²	7	17 Å²	17	5%	0.049	8%	0.084	C	C	.	.	H	α-helix	trans	-67.2	-29.9	175.8	89.7	0	0	0	0	113.7	N122 T527 V528 C529 N535	N122-S531 PolarHBondContact ND2-O 3.09Å; N122-S531 PolarHBondContact ND2-OG 2.88Å; T527-S531 WeakPolarHBondContact O-CB 3.24Å; T527-S531 PolarHBondContact O-N 3.16Å; V528-S531 WeakPolarHBondContact O-CA 3.41Å; V528-S531 WeakPolarHBondContact O-CB 3.34Å; V528-S531 PolarHBondContact O-N 2.83Å; V528-S531 PolarHBondContact O-OG 3.43Å; C529-S531 VanDerWaalsContact C-N 3.28Å; C529-S531 PolarHBondContact O-N 3.22Å; S531-N535 PolarHBondContact O-ND2 3.1Å
532	Q	82.1	Confident	83.4	Confident	27 Å²	27	16.7 Å²	16.7	13%	0.126	8%	0.084	C	C	.	.	H	α-helix	trans	-72.4	-51.4	171.5	-65.4	177.6	-10.3	0	0	110.3	D386 V528 C529 L530 F534 N535 K536	D386-Q532 PolarHBondContact OD2-NE2 2.67Å; D386-Q532 PolarHBondContact OD2-OE1 3.03Å; V528-Q532 PolarHBondContact O-N 3.48Å; C529-Q532 WeakPolarHBondContact O-CB 3.47Å; C529-Q532 PolarHBondContact O-N 3.47Å; C529-Q532 VanDerWaalsContact O-N 3.16Å; L530-Q532 VanDerWaalsContact C-N 3.34Å; L530-Q532 PolarHBondContact O-N 2.92Å; Q532-F534 VanDerWaalsContact C-N 3.28Å; Q532-F534 PolarHBondContact O-N 2.96Å; Q532-N535 PolarHBondContact O-N 2.92Å; Q532-K536 PolarHBondContact O-N 3.04Å
533	C	85.9	Confident	82.5	Confident	3 Å²	3	19.4 Å²	19.4	2%	0.02	10%	0.097	C	C	.	.	H	α-helix	trans	-55.9	-41.3	179.9	-72.3	0	0	0	0	112.1	C529 L530 N535 K536 L537	C529-C533 PolarHBondContact O-N 3.27Å; C529-C533 PolarHBondContact O-SG 3.08Å; C529-C533 VanDerWaalsContact O-SG 3.37Å; L530-C533 PolarHBondContact O-N 2.89Å; C533-N535 PolarHBondContact O-N 3.13Å; C533-K536 PolarHBondContact O-N 2.91Å; C533-L537 HydrophobicContact CB-CD1 4.01Å; C533-L537 HydrophobicContact CB-CG 4.31Å; C533-L537 VanDerWaalsContact O-CB 3.24Å; C533-L537 WeakPolarHBondContact O-CB 3.26Å; C533-L537 WeakPolarHBondContact O-CD1 3.47Å; C533-L537 VanDerWaalsContact O-CG 3.24Å; C533-L537 WeakPolarHBondContact O-CG 3.08Å; C533-L537 PolarHBondContact O-N 3.17Å
534	F	85.3	Confident	81.5	Confident	28 Å²	28	19.5 Å²	19.5	12%	0.123	10%	0.097	C	C	.	.	H	α-helix	trans	-52.9	-26.1	173.9	171.8	-97.6	0	0	0	114.7	R470 I473 V474 L530 Q532 Y538	R470-F534 HydrophobicContact CG-CD2 3.63Å; R470-F534 HydrophobicContact CG-CE2 3.53Å; R470-F534 VanDerWaalsContact CZ-CZ 3.44Å; I473-F534 HydrophobicContact CG2-CB 4.01Å; V474-F534 HydrophobicContact CG2-CD2 3.48Å; V474-F534 VanDerWaalsContact CG2-CD2 3.48Å; V474-F534 HydrophobicContact CG2-CE2 3.21Å; V474-F534 HydrophobicContact CG2-CZ 4.16Å; L530-F534 WeakPolarHBondContact O-CB 3.01Å; L530-F534 PolarHBondContact O-N 3.44Å; Q532-F534 VanDerWaalsContact C-N 3.28Å; Q532-F534 PolarHBondContact O-N 2.96Å; F534-Y538 WeakPolarHBondContact O-CD2 3.49Å
535	N	78.4	Confident	81.1	Confident	61 Å²	61	18.8 Å²	18.8	33%	0.326	10%	0.095	S	C	.	.	H	α-helix	trans	-95.9	-61.2	171.6	-64.5	-53.9	0	0	0	110.9	S531 Q532 C533 L537 Y538	S531-N535 PolarHBondContact O-ND2 3.1Å; Q532-N535 PolarHBondContact O-N 2.92Å; C533-N535 PolarHBondContact O-N 3.13Å; N535-L537 VanDerWaalsContact C-N 3.33Å; N535-L537 PolarHBondContact O-N 3.12Å; N535-Y538 PolarHBondContact O-N 3.45Å; N535-Y538 VanDerWaalsContact O-N 3.11Å
536	K	79.7	Confident	80.5	Confident	19 Å²	19	18.9 Å²	18.9	8%	0.083	10%	0.095	C	C	.	.	H	α-helix	trans	-63.8	-27.8	-167.9	-66.8	-160.7	175	-157.5	0	114.8	E119 C457 Q532 C533 Y538 E539 E547	E119-K536 WeakPolarHBondContact OE1-CE 3.39Å; E119-K536 IonicContact OE1-NZ 2.76Å; E119-K536 PolarHBondContact OE1-NZ 2.7Å; E119-K536 IonicContact OE2-NZ 2.76Å; C457-K536 PolarHBondContact SG-O 3.38Å; C457-K536 VanDerWaalsContact SG-O 3.4Å; Q532-K536 PolarHBondContact O-N 3.04Å; C533-K536 PolarHBondContact O-N 2.91Å; K536-Y538 PolarHBondContact O-N 2.86Å; K536-E539 PolarHBondContact O-N 3Å; K536-E547 IonicContact NZ-OE2 3.75Å; K536-E547 PolarHBondContact NZ-OE2 2.71Å
537	L	86.5	Confident	79.5	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.005	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.9	175.9	-76.2	168.4	0	0	0	113.4	T371 L374 S453 R456 C457 S458 I473 C533 N535	T371-L537 HydrophobicContact CG2-CD1 4.26Å; L374-L537 HydrophobicContact CD1-CB 4.22Å; L374-L537 HydrophobicContact CD1-CD2 3.91Å; S453-L537 WeakPolarHBondContact O-CD2 3.24Å; R456-L537 HydrophobicContact CB-CD2 3.56Å; C457-L537 CarbonylContact C-O 3.5Å; S458-L537 PolarHBondContact N-O 3.17Å; S458-L537 VanDerWaalsContact N-O 3.13Å; I473-L537 HydrophobicContact CD1-CD1 3.46Å; I473-L537 VanDerWaalsContact CD1-CD1 3.46Å; C533-L537 HydrophobicContact CB-CD1 4.01Å; C533-L537 HydrophobicContact CB-CG 4.31Å; C533-L537 VanDerWaalsContact O-CB 3.24Å; C533-L537 WeakPolarHBondContact O-CB 3.26Å; C533-L537 WeakPolarHBondContact O-CD1 3.47Å; C533-L537 VanDerWaalsContact O-CG 3.24Å; C533-L537 WeakPolarHBondContact O-CG 3.08Å; C533-L537 PolarHBondContact O-N 3.17Å; N535-L537 VanDerWaalsContact C-N 3.33Å; N535-L537 PolarHBondContact O-N 3.12Å
538	Y	84.6	Confident	78.4	Confident	10 Å²	10	20.7 Å²	20.7	4%	0.039	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	15.5	-174.6	-45	-67.8	0	0	0	112.9	L374 K467 P468 R470 F534 N535 K536	L374-Y538 HydrophobicContact CD1-CE1 4.44Å; K467-Y538 VanDerWaalsContact CA-CE1 3.43Å; K467-Y538 HydrophobicContact CB-CD1 3.71Å; K467-Y538 HydrophobicContact CB-CD2 4.22Å; K467-Y538 HydrophobicContact CB-CE1 3.65Å; K467-Y538 HydrophobicContact CB-CE2 4.15Å; K467-Y538 HydrophobicContact CB-CG 4.01Å; K467-Y538 HydrophobicContact CD-CD1 4.29Å; K467-Y538 HydrophobicContact CD-CD2 3.81Å; K467-Y538 HydrophobicContact CD-CE2 4.41Å; K467-Y538 HydrophobicContact CD-CG 3.73Å; K467-Y538 HydrophobicContact CG-CD1 3.76Å; K467-Y538 HydrophobicContact CG-CD2 4.17Å; K467-Y538 HydrophobicContact CG-CE1 4.24Å; K467-Y538 HydrophobicContact CG-CG 3.72Å; P468-Y538 WeakPolarHBondContact O-CE1 3.33Å; P468-Y538 PolarHBondContact O-OH 2.85Å; R470-Y538 WeakPolarHBondContact CA-OH 3.48Å; R470-Y538 HydrophobicContact CB-CE2 4.07Å; R470-Y538 WeakPolarHBondContact CB-OH 3.45Å; R470-Y538 HydrophobicContact CG-CE2 3.99Å; R470-Y538 PolarHBondContact N-OH 2.98Å; F534-Y538 WeakPolarHBondContact O-CD2 3.49Å; N535-Y538 PolarHBondContact O-N 3.45Å; N535-Y538 VanDerWaalsContact O-N 3.11Å; K536-Y538 PolarHBondContact O-N 2.86Å
539	E	77.5	Confident	77.5	Confident	48 Å²	48	22.7 Å²	22.7	22%	0.224	11%	0.109	C	C	.	.	S	Bend	trans	-82.6	158.6	167	-70.4	178.2	-152.3	0	0	110.7	C457 S458 K536 H543	C457-E539 PolarHBondContact SG-O 3.21Å; C457-E539 VanDerWaalsContact SG-O 3.32Å; S458-E539 PolarHBondContact OG-O 3.28Å; K536-E539 PolarHBondContact O-N 3Å; E539-H543 IonicContact OE2-CE1 3.43Å; E539-H543 IonicContact OE2-CG 3.12Å; E539-H543 IonicContact OE2-ND1 3.67Å; E539-H543 PolarHBondContact OE2-ND1 3.41Å
540	D	74.7	Confident	76.3	Confident	60 Å²	60	23.9 Å²	23.9	32%	0.321	11%	0.113	S	C	.	.			trans	-75.9	148.1	173.9	179.7	53.8	0	0	0	111.5	T542 H543	D540-T542 VanDerWaalsContact C-N 3.26Å; D540-T542 PolarHBondContact O-N 3.48Å; D540-T542 VanDerWaalsContact OD2-CB 3.24Å; D540-T542 WeakPolarHBondContact OD2-CB 3.37Å; D540-T542 WeakPolarHBondContact OD2-CG2 3.47Å; D540-T542 PolarHBondContact OD2-N 3.49Å; D540-T542 PolarHBondContact OD2-OG1 3.43Å; D540-H543 WeakPolarHBondContact O-CB 3.42Å; D540-H543 PolarHBondContact O-N 3.01Å
541	E	76	Confident	74.6	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-63.9	-29.4	-179.2	-175.5	175.1	-104.2	0	0	112.9	K375 S377 H543 R544 F545 T792 N795	K375-E541 WeakPolarHBondContact CE-OE1 3.35Å; K375-E541 IonicContact NZ-OE1 2.71Å; K375-E541 PolarHBondContact NZ-OE1 3.24Å; K375-E541 IonicContact NZ-OE2 3.71Å; K375-E541 PolarHBondContact NZ-OE2 3.39Å; S377-E541 PolarHBondContact OG-OE1 3.24Å; S377-E541 VanDerWaalsContact OG-OE1 3.12Å; E541-H543 VanDerWaalsContact C-N 3.27Å; E541-H543 PolarHBondContact O-N 3.08Å; E541-R544 PolarHBondContact O-N 3.5Å; E541-F545 HydrophobicContact CG-CD2 3.85Å; E541-F545 HydrophobicContact CG-CE2 3.48Å; E541-F545 VanDerWaalsContact CG-CE2 3.48Å; E541-F545 HydrophobicContact CG-CZ 4.32Å; E541-F545 VanDerWaalsContact O-CD2 3.23Å; E541-F545 WeakPolarHBondContact O-CD2 3.42Å; E541-F545 PolarHBondContact O-N 3.47Å; E541-T792 WeakPolarHBondContact OE1-CG2 3.3Å; E541-T792 WeakPolarHBondContact OE2-CG2 3.48Å; E541-N795 PolarHBondContact OE2-ND2 3.38Å
542	T	72.8	Confident	72.8	Confident	17 Å²	17	29.6 Å²	29.6	10%	0.104	14%	0.139	C	C	.	.	H	α-helix	trans	-63.8	-33.8	173.7	67.8	0	0	0	0	111.8	D540 F545 E546 N795 R802	D540-T542 VanDerWaalsContact C-N 3.26Å; D540-T542 PolarHBondContact O-N 3.48Å; D540-T542 VanDerWaalsContact OD2-CB 3.24Å; D540-T542 WeakPolarHBondContact OD2-CB 3.37Å; D540-T542 WeakPolarHBondContact OD2-CG2 3.47Å; D540-T542 PolarHBondContact OD2-N 3.49Å; D540-T542 PolarHBondContact OD2-OG1 3.43Å; T542-F545 PolarHBondContact O-N 3.21Å; T542-E546 WeakPolarHBondContact O-CB 3.13Å; T542-E546 PolarHBondContact O-N 2.87Å; T542-N795 HydrophobicContact CG2-CB 3.89Å; T542-R802 PolarHBondContact OG1-NH1 2.98Å
543	H	70.1	Confident	71.1	Confident	57 Å²	57	31.1 Å²	31.1	26%	0.264	15%	0.15	S	C	.	.	H	α-helix	trans	-65.2	-47.1	179.6	-165.7	-110.3	0	0	0	111.5	E539 D540 E541 F545 E546 E547	E539-H543 IonicContact OE2-CE1 3.43Å; E539-H543 IonicContact OE2-CG 3.12Å; E539-H543 IonicContact OE2-ND1 3.67Å; E539-H543 PolarHBondContact OE2-ND1 3.41Å; D540-H543 WeakPolarHBondContact O-CB 3.42Å; D540-H543 PolarHBondContact O-N 3.01Å; E541-H543 VanDerWaalsContact C-N 3.27Å; E541-H543 PolarHBondContact O-N 3.08Å; H543-F545 PolarHBondContact O-N 2.84Å; H543-E546 CarbonylContact O-C 3.59Å; H543-E546 WeakPolarHBondContact O-CA 3.16Å; H543-E546 WeakPolarHBondContact O-CB 3.3Å; H543-E546 PolarHBondContact O-N 2.97Å; H543-E546 VanDerWaalsContact O-N 3.07Å; H543-E547 IonicContact CE1-OE1 3.64Å; H543-E547 PolarHBondContact CE1-OE1 2.91Å; H543-E547 IonicContact ND1-OE1 3.65Å; H543-E547 PolarHBondContact O-N 3.38Å
544	R	70.3	Confident	68.7	Low	5 Å²	5	33.4 Å²	33.4	2%	0.019	16%	0.162	C	C	.	.	H	α-helix	trans	-61.2	-40.3	174.9	-79.5	171.3	69.6	145.1	1.5	113.1	I378 T380 F454 R456 C457 E541 E546 M548	I378-R544 VanDerWaalsContact C-NH2 3.32Å; I378-R544 PolarHBondContact O-NE 3.2Å; I378-R544 PolarHBondContact O-NH2 2.98Å; T380-R544 HydrophobicContact CG2-CG 4.09Å; F454-R544 PolarHBondContact O-NH1 2.91Å; F454-R544 PolarHBondContact O-NH2 3.36Å; R456-R544 PolarHBondContact O-NH1 3.16Å; C457-R544 WeakPolarHBondContact SG-CD 3.41Å; E541-R544 PolarHBondContact O-N 3.5Å; R544-E546 VanDerWaalsContact C-N 3.31Å; R544-M548 WeakPolarHBondContact O-CE 3.26Å; R544-M548 WeakPolarHBondContact O-CG 3.27Å; R544-M548 PolarHBondContact O-N 3.48Å
545	F	73.1	Confident	66.1	Low	9 Å²	9	36.1 Å²	36.1	4%	0.039	18%	0.183	C	C	.	.	H	α-helix	trans	-64.6	-37.8	173.4	-73.9	-53.6	0	0	0	111.7	I378 E541 T542 H543 M548 W549 T792 N795 L796 A799	I378-F545 HydrophobicContact CD1-CE1 4.39Å; E541-F545 HydrophobicContact CG-CD2 3.85Å; E541-F545 HydrophobicContact CG-CE2 3.48Å; E541-F545 VanDerWaalsContact CG-CE2 3.48Å; E541-F545 HydrophobicContact CG-CZ 4.32Å; E541-F545 VanDerWaalsContact O-CD2 3.23Å; E541-F545 WeakPolarHBondContact O-CD2 3.42Å; E541-F545 PolarHBondContact O-N 3.47Å; T542-F545 PolarHBondContact O-N 3.21Å; H543-F545 PolarHBondContact O-N 2.84Å; F545-M548 HydrophobicContact CD1-CE 3.51Å; F545-M548 HydrophobicContact CE1-CE 3.96Å; F545-M548 HydrophobicContact CG-CE 4.37Å; F545-M548 PolarHBondContact O-N 3.33Å; F545-W549 WeakPolarHBondContact O-CB 3.39Å; F545-W549 PolarHBondContact O-N 2.78Å; F545-T792 HydrophobicContact CZ-CG2 4.38Å; F545-N795 HydrophobicContact CD2-CB 3.84Å; F545-N795 HydrophobicContact CE2-CB 3.9Å; F545-L796 HydrophobicContact CB-CD1 4.39Å; F545-L796 HydrophobicContact CD1-CB 4.31Å; F545-L796 HydrophobicContact CD1-CD1 3.39Å; F545-L796 HydrophobicContact CD1-CG 4.46Å; F545-L796 HydrophobicContact CD2-CB 4.36Å; F545-L796 HydrophobicContact CE1-CB 4.37Å; F545-L796 HydrophobicContact CE1-CD1 3.78Å; F545-L796 HydrophobicContact CE2-CB 4.37Å; F545-L796 HydrophobicContact CG-CB 4.34Å; F545-L796 HydrophobicContact CG-CD1 3.98Å; F545-L796 HydrophobicContact CZ-CB 4.4Å; F545-A799 HydrophobicContact CB-CB 3.51Å
546	E	69.8	Low	63.9	Low	11 Å²	11	35.4 Å²	35.4	5%	0.051	18%	0.177	C	C	.	.	H	α-helix	trans	-65.8	-44.3	176.9	-145.6	177.8	103.8	0	0	111.7	K117 T542 H543 R544 W549 R550 A799 R802 V803	K117-E546 IonicContact NZ-OE1 3.92Å; T542-E546 WeakPolarHBondContact O-CB 3.13Å; T542-E546 PolarHBondContact O-N 2.87Å; H543-E546 CarbonylContact O-C 3.59Å; H543-E546 WeakPolarHBondContact O-CA 3.16Å; H543-E546 WeakPolarHBondContact O-CB 3.3Å; H543-E546 PolarHBondContact O-N 2.97Å; H543-E546 VanDerWaalsContact O-N 3.07Å; R544-E546 VanDerWaalsContact C-N 3.31Å; E546-W549 PolarHBondContact O-N 3.3Å; E546-R550 VanDerWaalsContact O-CG 3.31Å; E546-R550 WeakPolarHBondContact O-CG 3.09Å; E546-R550 PolarHBondContact O-N 3.42Å; E546-R550 IonicContact OE1-CZ 3.62Å; E546-R550 IonicContact OE1-NH2 3.88Å; E546-R550 PolarHBondContact OE1-NH2 2.99Å; E546-A799 HydrophobicContact CB-CB 4.25Å; E546-R802 WeakPolarHBondContact OE2-CD 3.34Å; E546-R802 IonicContact OE2-CZ 3.84Å; E546-R802 IonicContact OE2-NE 3.59Å; E546-R802 IonicContact OE2-NH1 3.63Å; E546-R802 PolarHBondContact OE2-NH1 3.46Å; E546-V803 HydrophobicContact CG-CG2 3.74Å
547	E	67.7	Low	61.8	Low	21 Å²	21	36.3 Å²	36.3	10%	0.098	18%	0.184	C	C	.	.	H	α-helix	trans	-57.7	-47.4	172.2	-73.3	-172.3	163.6	0	0	111.8	K536 H543 R550 H551	K536-E547 IonicContact NZ-OE2 3.75Å; K536-E547 PolarHBondContact NZ-OE2 2.71Å; H543-E547 IonicContact CE1-OE1 3.64Å; H543-E547 PolarHBondContact CE1-OE1 2.91Å; H543-E547 IonicContact ND1-OE1 3.65Å; H543-E547 PolarHBondContact O-N 3.38Å; E547-R550 PolarHBondContact O-N 3.29Å; E547-H551 PolarHBondContact O-N 2.81Å; E547-H551 PolarHBondContact O-ND1 2.99Å
548	M	66.6	Low	59.2	Low	31 Å²	31	41.9 Å²	41.9	15%	0.153	21%	0.214	C	C	.	.	H	α-helix	trans	-63.4	-46.7	178.1	-72.9	-174.6	-69	0	0	111.7	I378 R544 F545 R550 H551 Q552	I378-M548 HydrophobicContact CB-CE 4.1Å; I378-M548 HydrophobicContact CB-SD 4.28Å; I378-M548 HydrophobicContact CG2-CE 4.18Å; I378-M548 HydrophobicContact CG2-SD 3.72Å; R544-M548 WeakPolarHBondContact O-CE 3.26Å; R544-M548 WeakPolarHBondContact O-CG 3.27Å; R544-M548 PolarHBondContact O-N 3.48Å; F545-M548 HydrophobicContact CD1-CE 3.51Å; F545-M548 HydrophobicContact CE1-CE 3.96Å; F545-M548 HydrophobicContact CG-CE 4.37Å; F545-M548 PolarHBondContact O-N 3.33Å; M548-R550 VanDerWaalsContact C-N 3.35Å; M548-R550 PolarHBondContact O-N 3.39Å; M548-H551 PolarHBondContact O-N 3.2Å; M548-H551 VanDerWaalsContact O-N 3.16Å; M548-Q552 WeakPolarHBondContact O-CB 3.38Å; M548-Q552 PolarHBondContact O-N 3.37Å
549	W	64.3	Low	57	Low	61 Å²	61	46 Å²	46	23%	0.231	24%	0.235	C	C	.	.	H	α-helix	trans	-59.2	-41.1	177.6	-83.2	118.3	0	0	0	112.5	F545 E546 H551 Q552 V553 L796 K800 V803	F545-W549 WeakPolarHBondContact O-CB 3.39Å; F545-W549 PolarHBondContact O-N 2.78Å; E546-W549 PolarHBondContact O-N 3.3Å; W549-H551 PolarHBondContact O-N 3.48Å; W549-Q552 PolarHBondContact O-N 3.07Å; W549-V553 WeakPolarHBondContact O-CG2 3.43Å; W549-V553 PolarHBondContact O-N 3.35Å; W549-L796 HydrophobicContact CZ2-CD1 4.09Å; W549-L796 HydrophobicContact CZ2-CG 4.29Å; W549-L796 VanDerWaalsContact NE1-CD1 3.33Å; W549-L796 PolarHBondContact NE1-O 3.45Å; W549-K800 HydrophobicContact CD2-CB 4.23Å; W549-K800 HydrophobicContact CD2-CG 4.21Å; W549-K800 HydrophobicContact CE3-CG 4.42Å; W549-K800 HydrophobicContact CH2-CD 3.88Å; W549-K800 HydrophobicContact CH2-CG 4.16Å; W549-K800 HydrophobicContact CZ2-CB 3.94Å; W549-K800 HydrophobicContact CZ2-CD 3.81Å; W549-K800 HydrophobicContact CZ2-CG 3.89Å; W549-K800 HydrophobicContact CZ3-CD 4.44Å; W549-K800 HydrophobicContact CZ3-CG 4.4Å; W549-V803 HydrophobicContact CB-CB 4.18Å; W549-V803 HydrophobicContact CB-CG1 4.32Å; W549-V803 HydrophobicContact CB-CG2 3.8Å
550	R	62.3	Low	54.7	Low	24 Å²	24	50.3 Å²	50.3	9%	0.091	26%	0.259	C	S	.	.	H	α-helix	trans	-57.4	-34.5	176.9	-72.1	172.1	-152.3	-124.8	5.1	113.5	T284 E287 E546 E547 M548 V803	T284-R550 PolarHBondContact OG1-O 3.44Å; E287-R550 IonicContact OE1-CZ 2.74Å; E287-R550 VanDerWaalsContact OE1-CZ 3.23Å; E287-R550 IonicContact OE1-NH1 3.47Å; E287-R550 PolarHBondContact OE1-NH1 3.48Å; E287-R550 IonicContact OE1-NH2 2.75Å; E287-R550 PolarHBondContact OE1-NH2 2.93Å; E546-R550 VanDerWaalsContact O-CG 3.31Å; E546-R550 WeakPolarHBondContact O-CG 3.09Å; E546-R550 PolarHBondContact O-N 3.42Å; E546-R550 IonicContact OE1-CZ 3.62Å; E546-R550 IonicContact OE1-NH2 3.88Å; E546-R550 PolarHBondContact OE1-NH2 2.99Å; E547-R550 PolarHBondContact O-N 3.29Å; M548-R550 VanDerWaalsContact C-N 3.35Å; M548-R550 PolarHBondContact O-N 3.39Å; R550-V803 HydrophobicContact CG-CG1 4.48Å; R550-V803 HydrophobicContact CG-CG2 4.06Å
551	H	53.5	Low	52.9	Low	38 Å²	38	50.6 Å²	50.6	18%	0.176	26%	0.263	C	S	.	.	H	α-helix	trans	-86.8	-18.2	177.4	-66.7	89.6	0	0	0	113.3	F285 E547 M548 W549	F285-H551 AromaticContact CE1-CE1 4Å; F285-H551 AromaticContact CZ-CD2 3.88Å; F285-H551 AromaticContact CZ-CE1 3.66Å; F285-H551 AromaticContact CZ-NE2 3.57Å; E547-H551 PolarHBondContact O-N 2.81Å; E547-H551 PolarHBondContact O-ND1 2.99Å; M548-H551 PolarHBondContact O-N 3.2Å; M548-H551 VanDerWaalsContact O-N 3.16Å; W549-H551 PolarHBondContact O-N 3.48Å
552	Q	47.7	Very low	50.7	Low	90 Å²	90	59.6 Å²	59.6	42%	0.421	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	4.3	-176.5	-150.8	173.5	14.3	0	0	113.2	M548 W549 D554	M548-Q552 WeakPolarHBondContact O-CB 3.38Å; M548-Q552 PolarHBondContact O-N 3.37Å; W549-Q552 PolarHBondContact O-N 3.07Å; Q552-D554 PolarHBondContact O-N 2.9Å
553	V	46	Very low	48.6	Very low	59 Å²	59	60.9 Å²	60.9	36%	0.358	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-16.7	167	-170.4	0	0	0	0	111.5	T284 W549 P555 V803	T284-V553 HydrophobicContact CG2-CB 4Å; T284-V553 HydrophobicContact CG2-CG1 4.29Å; T284-V553 HydrophobicContact CG2-CG2 3.79Å; W549-V553 WeakPolarHBondContact O-CG2 3.43Å; W549-V553 PolarHBondContact O-N 3.35Å; V553-P555 VanDerWaalsContact O-CD 3.28Å; V553-P555 WeakPolarHBondContact O-CD 3.44Å; V553-V803 HydrophobicContact CG2-CG1 4.3Å
554	D	35.7	Very low	46.8	Very low	50 Å²	50	63.1 Å²	63.1	27%	0.267	32%	0.324	S	S	.	.	S	Bend	trans	-71.5	114.6	160.7	-79.8	-4.4	0	0	0	109.4	Q282 Q552 F556	Q282-D554 VanDerWaalsContact NE2-CG 3.28Å; Q282-D554 PolarHBondContact NE2-OD1 3.21Å; Q282-D554 PolarHBondContact NE2-OD2 3.15Å; Q552-D554 PolarHBondContact O-N 2.9Å; D554-F556 PolarHBondContact O-N 3.09Å
555	P	31.3	Very low	44.8	Very low	86 Å²	86	68.5 Å²	68.5	56%	0.558	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	52.7	-176.6	34.9	-36.9	0	0	0	111.6	K22 V553	K22-P555 VanDerWaalsContact CE-O 3.31Å; K22-P555 WeakPolarHBondContact CE-O 3.21Å; K22-P555 PolarHBondContact NZ-O 3.07Å; V553-P555 VanDerWaalsContact O-CD 3.28Å; V553-P555 WeakPolarHBondContact O-CD 3.44Å
556	F	31.3	Very low	42.6	Very low	46 Å²	46	71.2 Å²	71.2	20%	0.202	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.5	-24.8	-165.7	-105.9	-45.3	0	0	0	115.3	K22 N26 D554 D558 I559	K22-F556 HydrophobicContact CB-CE2 4.37Å; K22-F556 HydrophobicContact CB-CZ 4.5Å; K22-F556 HydrophobicContact CD-CE1 4.35Å; K22-F556 HydrophobicContact CD-CE2 4.06Å; K22-F556 HydrophobicContact CD-CZ 3.94Å; K22-F556 VanDerWaalsContact CE-CE1 3.47Å; K22-F556 VanDerWaalsContact CE-CZ 3.45Å; K22-F556 HydrophobicContact CG-CD2 4.04Å; K22-F556 HydrophobicContact CG-CE1 4.16Å; K22-F556 HydrophobicContact CG-CE2 3.21Å; K22-F556 HydrophobicContact CG-CZ 3.28Å; K22-F556 WeakPolarHBondContact O-CE2 3.37Å; N26-F556 VanDerWaalsContact ND2-CE1 3.3Å; N26-F556 WeakPolarHBondContact ND2-CE1 3.3Å; N26-F556 WeakPolarHBondContact ND2-CZ 3.34Å; N26-F556 WeakPolarHBondContact OD1-CE2 3.45Å; N26-F556 WeakPolarHBondContact OD1-CZ 3.41Å; D554-F556 PolarHBondContact O-N 3.09Å; F556-D558 PolarHBondContact O-N 3.4Å; F556-D558 VanDerWaalsContact O-N 3.12Å; F556-I559 HydrophobicContact CD1-CD1 3.63Å; F556-I559 HydrophobicContact CD1-CG1 4.15Å; F556-I559 HydrophobicContact CE1-CD1 3.7Å; F556-I559 WeakPolarHBondContact O-CB 3.48Å; F556-I559 PolarHBondContact O-N 3.26Å
557	T	37	Very low	40.6	Very low	38 Å²	38	79.9 Å²	79.9	23%	0.233	41%	0.411	C	S	.	.	H	α-helix	trans	-64	-20.1	-175.6	5	0	0	0	0	113.7	I559	T557-I559 VanDerWaalsContact C-N 3.29Å; T557-I559 PolarHBondContact O-N 2.72Å
558	D	31.6	Very low	38.6	Very low	118 Å²	118	83.9 Å²	83.9	63%	0.631	44%	0.442	S	S	*	.	H	α-helix	trans	-66	-26.7	171	-73.8	-1.4	0	0	0	112.9	F556 V561 R562	F556-D558 PolarHBondContact O-N 3.4Å; F556-D558 VanDerWaalsContact O-N 3.12Å; D558-V561 PolarHBondContact O-N 2.71Å; D558-R562 VanDerWaalsContact O-CB 3.22Å; D558-R562 WeakPolarHBondContact O-CB 3.34Å; D558-R562 PolarHBondContact O-N 2.62Å
559	I	37.5	Very low	36.7	Very low	97 Å²	97	90.3 Å²	90.3	50%	0.497	47%	0.471	S	S	.	.	H	α-helix	trans	-69	-37.6	179.9	-60.3	-164.9	0	0	0	111	F556 T557 V561 R562 S563	F556-I559 HydrophobicContact CD1-CD1 3.63Å; F556-I559 HydrophobicContact CD1-CG1 4.15Å; F556-I559 HydrophobicContact CE1-CD1 3.7Å; F556-I559 WeakPolarHBondContact O-CB 3.48Å; F556-I559 PolarHBondContact O-N 3.26Å; T557-I559 VanDerWaalsContact C-N 3.29Å; T557-I559 PolarHBondContact O-N 2.72Å; I559-V561 VanDerWaalsContact C-N 3.28Å; I559-V561 PolarHBondContact O-N 3.24Å; I559-R562 PolarHBondContact O-N 3.49Å; I559-S563 WeakPolarHBondContact O-CB 3.42Å; I559-S563 PolarHBondContact O-N 3.07Å; I559-S563 PolarHBondContact O-OG 2.75Å
560	L	29.8	Very low	34.8	Very low	137 Å²	137	97.9 Å²	97.9	72%	0.717	50%	0.501	S	S	*	.	H	α-helix	trans	-77.7	-14.6	-178.2	-140.6	139.6	0	0	0	113.1	S563	L560-S563 WeakPolarHBondContact CA-OG 3.35Å; L560-S563 PolarHBondContact O-OG 3.25Å
561	V	35.4	Very low	33	Very low	67 Å²	67	105.2 Å²	105.2	41%	0.406	54%	0.537	S	S	.	.	H	α-helix	trans	-86.9	-41.2	166.3	178.9	0	0	0	0	110.2	D558 I559 S563 T564 D565	D558-V561 PolarHBondContact O-N 2.71Å; I559-V561 VanDerWaalsContact C-N 3.28Å; I559-V561 PolarHBondContact O-N 3.24Å; V561-S563 VanDerWaalsContact C-N 3.31Å; V561-S563 PolarHBondContact O-N 3.41Å; V561-T564 PolarHBondContact O-N 2.8Å; V561-T564 PolarHBondContact O-OG1 2.96Å; V561-D565 PolarHBondContact O-N 3.48Å
562	R	30.6	Very low	31.8	Very low	190 Å²	190	112 Å²	112	72%	0.717	57%	0.569	S	S	*	*	H	α-helix	trans	-69.7	-26.5	179.1	-160.2	173.5	-161.8	125	4.4	113	D558 I559 T564 D565 S566	D558-R562 VanDerWaalsContact O-CB 3.22Å; D558-R562 WeakPolarHBondContact O-CB 3.34Å; D558-R562 PolarHBondContact O-N 2.62Å; I559-R562 PolarHBondContact O-N 3.49Å; R562-T564 VanDerWaalsContact C-N 3.34Å; R562-D565 PolarHBondContact O-N 3.18Å; R562-S566 VanDerWaalsContact O-CB 3.29Å; R562-S566 WeakPolarHBondContact O-CB 3.32Å; R562-S566 PolarHBondContact O-N 3.12Å; R562-S566 PolarHBondContact O-OG 3.41Å
563	S	28.5	Very low	30.7	Very low	44 Å²	44	112.9 Å²	112.9	31%	0.308	59%	0.591	S	S	.	*	H	α-helix	trans	-67.4	-33.2	175	56.3	0	0	0	0	112.7	I559 L560 V561 S566 F567	I559-S563 WeakPolarHBondContact O-CB 3.42Å; I559-S563 PolarHBondContact O-N 3.07Å; I559-S563 PolarHBondContact O-OG 2.75Å; L560-S563 WeakPolarHBondContact CA-OG 3.35Å; L560-S563 PolarHBondContact O-OG 3.25Å; V561-S563 VanDerWaalsContact C-N 3.31Å; V561-S563 PolarHBondContact O-N 3.41Å; S563-S566 WeakPolarHBondContact CA-OG 3.27Å; S563-S566 PolarHBondContact O-OG 2.92Å; S563-F567 WeakPolarHBondContact O-CD2 3.33Å; S563-F567 PolarHBondContact O-N 2.87Å
564	T	32.1	Very low	29.7	Very low	103 Å²	103	119.3 Å²	119.3	63%	0.632	61%	0.614	S	S	*	*	H	α-helix	trans	-73	-28.8	173.6	36.4	0	0	0	0	112.9	V561 R562	V561-T564 PolarHBondContact O-N 2.8Å; V561-T564 PolarHBondContact O-OG1 2.96Å; R562-T564 VanDerWaalsContact C-N 3.34Å
565	D	29	Very low	29.4	Very low	118 Å²	118	123.9 Å²	123.9	63%	0.631	64%	0.644	S	S	*	*	H	α-helix	trans	-80.4	-34.8	172.3	-68.4	-25.9	0	0	0	112	V561 R562 F567 S568	V561-D565 PolarHBondContact O-N 3.48Å; R562-D565 PolarHBondContact O-N 3.18Å; D565-F567 VanDerWaalsContact C-N 3.28Å; D565-F567 PolarHBondContact O-N 2.75Å; D565-S568 PolarHBondContact O-N 3.1Å
566	S	26.8	Very low	29.2	Very low	66 Å²	66	125.3 Å²	125.3	46%	0.462	66%	0.656	S	S	.	*	G	3₁₀ helix	trans	-79.8	-1.8	-177.6	75.7	0	0	0	0	114.9	R562 S563	R562-S566 VanDerWaalsContact O-CB 3.29Å; R562-S566 WeakPolarHBondContact O-CB 3.32Å; R562-S566 PolarHBondContact O-N 3.12Å; R562-S566 PolarHBondContact O-OG 3.41Å; S563-S566 WeakPolarHBondContact CA-OG 3.27Å; S563-S566 PolarHBondContact O-OG 2.92Å
567	F	27.1	Very low	29.1	Very low	193 Å²	193	131 Å²	131	85%	0.846	69%	0.688	S	S	*	*	G	3₁₀ helix	trans	-83.6	3.2	166.4	-100.9	-76.7	0	0	0	113.1	S563 D565	S563-F567 WeakPolarHBondContact O-CD2 3.33Å; S563-F567 PolarHBondContact O-N 2.87Å; D565-F567 VanDerWaalsContact C-N 3.28Å; D565-F567 PolarHBondContact O-N 2.75Å
568	S	26.9	Very low	28.6	Very low	106 Å²	106	138.1 Å²	138.1	74%	0.741	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-108.4	20.7	175	-170.9	0	0	0	0	113.7	D565	D565-S568 PolarHBondContact O-N 3.1Å
569	E	26.8	Very low	28.7	Very low	165 Å²	165	137.3 Å²	137.3	77%	0.771	72%	0.717	S	S	*	*	S	Bend	trans	-145.8	40.1	-175.1	-151.1	166.6	-131.9	0	0	113.2
570	Y	23.8	Very low	28.1	Very low	220 Å²	220	139.1 Å²	139.1	86%	0.863	73%	0.732	S	S	*	*			trans	-134.1	18.9	175.9	-116.8	-84.9	0	0	0	116.3
571	E	25	Very low	28	Very low	179 Å²	179	138 Å²	138	84%	0.836	74%	0.736	S	S	*	*	S	Bend	trans	-131.7	141.9	155.6	-81.7	-169.8	113.9	0	0	106.7
572	Q	26.9	Very low	27.4	Very low	180 Å²	180	143.9 Å²	143.9	84%	0.841	76%	0.759	S	S	*	*			cis	-149.6	106	11.3	-174.5	178.3	51.9	0	0	109.7
573	A	24.7	Very low	27.3	Very low	108 Å²	108	142 Å²	142	89%	0.893	77%	0.768	S	S	*	*			trans	-135	89.6	-179.2	0	0	0	0	0	112.2
574	K	26.9	Very low	27	Very low	195 Å²	195	148.1 Å²	148.1	85%	0.848	79%	0.792	S	S	*	*			trans	-137.1	151	168.9	-92.8	-175.7	176	176	0	109.9
575	T	27.5	Very low	26.7	Very low	145 Å²	145	149.2 Å²	149.2	89%	0.89	80%	0.798	S	S	*	*			trans	68.2	139.9	-164.9	76	0	0	0	0	112.8
576	S	28	Very low	26.5	Very low	116 Å²	116	149.9 Å²	149.9	81%	0.811	81%	0.807	S	S	*	*			cis	-130.6	-173.1	5	-159.7	0	0	0	0	113.4
577	L	28.9	Very low	26.6	Very low	166 Å²	166	154 Å²	154	87%	0.869	82%	0.822	S	S	*	*			trans	-64.4	155.1	-157.2	-107	63.1	0	0	0	119.8
578	K	26.2	Very low	26.6	Very low	188 Å²	188	153.9 Å²	153.9	82%	0.817	82%	0.824	S	S	*	*			trans	-86.4	-176.7	154.9	-107.4	-166.8	174.1	-172.9	0	109.8
579	P	33.5	Very low	26.5	Very low	101 Å²	101	155.6 Å²	155.6	66%	0.656	83%	0.825	S	S	*	*			cis	-141	166.9	-37.2	38.5	-22.2	0	0	0	114.7
580	T	26.3	Very low	26.5	Very low	134 Å²	134	154.8 Å²	154.8	82%	0.822	83%	0.826	S	S	*	*			trans	-167.6	148.5	152.8	37.6	0	0	0	0	108.2
581	S	28.2	Very low	26.6	Very low	114 Å²	114	151.9 Å²	151.9	80%	0.797	83%	0.826	S	S	*	*			cis	-154.1	173.9	-12.5	-84.3	0	0	0	0	109.2
582	E	22.1	Very low	26.7	Very low	190 Å²	190	154.1 Å²	154.1	89%	0.888	83%	0.826	S	S	*	*			trans	-80.2	145.3	-176.6	-58.3	163.6	126.6	0	0	113.9
583	V	27.4	Very low	26.7	Very low	151 Å²	151	154.1 Å²	154.1	92%	0.915	83%	0.826	S	S	*	*			trans	-144.5	146.3	153.1	-177.4	0	0	0	0	107.9
584	Q	23.6	Very low	26.8	Very low	173 Å²	173	157.2 Å²	157.2	81%	0.808	83%	0.828	S	S	*	*			trans	-129.9	168.6	-175.6	-163.8	-175.6	18.2	0	0	110.7
585	V	24.3	Very low	26.8	Very low	125 Å²	125	158.5 Å²	158.5	76%	0.758	83%	0.827	S	S	*	*			trans	76.5	140.2	173.6	-157.6	0	0	0	0	111.2
586	T	26.3	Very low	26.8	Very low	133 Å²	133	160 Å²	160	82%	0.816	82%	0.822	S	S	*	*			cis	-133.7	166	25.8	-37.8	0	0	0	0	113.6
587	I	27.8	Very low	26.7	Very low	152 Å²	152	162.5 Å²	162.5	78%	0.779	83%	0.825	S	S	*	*			trans	-86.6	136	172.4	-61.2	164.5	0	0	0	110.1
588	E	28.2	Very low	26.6	Very low	191 Å²	191	158.1 Å²	158.1	89%	0.893	81%	0.813	S	S	*	*			trans	-149.2	167.6	152.3	-150.7	165.2	-145.7	0	0	110.2
589	N	24.9	Very low	26.7	Very low	141 Å²	141	154.2 Å²	154.2	75%	0.754	81%	0.805	S	S	*	*			trans	-95.1	158.1	-152	-70	-38.7	0	0	0	117
590	D	25.3	Very low	26.4	Very low	149 Å²	149	158.7 Å²	158.7	80%	0.797	81%	0.814	S	S	*	*			trans	81.7	160.6	143.8	-112.3	-40.5	0	0	0	123.4	R592	D590-R592 PolarHBondContact O-N 3.22Å
591	D	26.8	Very low	26.3	Very low	159 Å²	159	156.9 Å²	156.9	85%	0.85	81%	0.807	S	S	*	*	S	Bend	trans	60.2	31.1	157	-109.5	-13.5	0	0	0	120.5
592	R	27.1	Very low	26.2	Very low	225 Å²	225	160.3 Å²	160.3	85%	0.849	81%	0.807	S	S	*	*			trans	-137.2	4.4	171.8	-126.4	176.4	-174.5	-171	2.5	120.9	D590	D590-R592 PolarHBondContact O-N 3.22Å
593	Q	27.3	Very low	26.4	Very low	181 Å²	181	157.2 Å²	157.2	85%	0.846	80%	0.801	S	S	*	*	S	Bend	trans	-84.1	-32.7	176.1	-75	-171.4	-17.5	0	0	114.4	R595 K596	Q593-R595 PolarHBondContact O-N 2.88Å; Q593-K596 PolarHBondContact O-N 2.79Å
594	N	27	Very low	26.3	Very low	172 Å²	172	159.2 Å²	159.2	92%	0.92	80%	0.798	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	20	-176.6	-79.3	-25.1	0	0	0	116.3
595	R	26.9	Very low	26.5	Very low	222 Å²	222	156.1 Å²	156.1	84%	0.838	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.5	4.6	173.9	-81.9	-170.7	175	-175.4	1.4	115.9	Q593	Q593-R595 PolarHBondContact O-N 2.88Å
596	K	27.1	Very low	26.6	Very low	178 Å²	178	158.4 Å²	158.4	77%	0.774	79%	0.788	S	S	*	*	S	Bend	trans	-99	-15.5	176.9	-76.7	-172.9	174.7	-179.4	0	116	Q593	Q593-K596 PolarHBondContact O-N 2.79Å
597	L	26.5	Very low	26.5	Very low	167 Å²	167	163.5 Å²	163.5	87%	0.874	79%	0.792	S	S	*	*	G	3₁₀ helix	trans	-82.6	-13.7	174.8	-104.9	69.5	0	0	0	114.8	V599	L597-V599 PolarHBondContact O-N 2.79Å
598	A	26.1	Very low	26.4	Very low	75 Å²	75	159.6 Å²	159.6	62%	0.62	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-83	-3.1	-173.2	0	0	0	0	0	115.5	S601	A598-S601 PolarHBondContact O-OG 3.45Å
599	V	28.9	Very low	26.2	Very low	106 Å²	106	159.4 Å²	159.4	64%	0.642	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-87.3	-23.8	-169.2	-179.1	0	0	0	0	113.4	L597 S601	L597-V599 PolarHBondContact O-N 2.79Å; V599-S601 PolarHBondContact O-N 3.46Å; V599-S601 VanDerWaalsContact O-N 3.11Å
600	F	26.2	Very low	26.2	Very low	194 Å²	194	159 Å²	159	85%	0.851	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-76.1	6.2	-175.5	-88.1	-79.4	0	0	0	115.9
601	S	25.2	Very low	26.2	Very low	96 Å²	96	159.5 Å²	159.5	67%	0.671	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-98.3	-0.2	-178.7	62.4	0	0	0	0	115.2	A598 V599	A598-S601 PolarHBondContact O-OG 3.45Å; V599-S601 PolarHBondContact O-N 3.46Å; V599-S601 VanDerWaalsContact O-N 3.11Å
602	K	25.3	Very low	26.3	Very low	187 Å²	187	157 Å²	157	81%	0.813	76%	0.763	S	S	*	*			trans	-130.5	39	-167.9	-75.6	-173.8	174.1	175.3	0	116.7
603	T	26.9	Very low	26.2	Very low	124 Å²	124	153.9 Å²	153.9	76%	0.761	76%	0.763	S	S	*	*			trans	-115.7	86.4	167.2	45	0	0	0	0	111.9	P605	T603-P605 WeakPolarHBondContact O-CD 3.42Å
604	K	25.3	Very low	26.2	Very low	193 Å²	193	153.5 Å²	153.5	84%	0.839	76%	0.761	S	S	*	*			trans	-81.4	115	166.3	-68.1	-172.8	178.7	-172.5	0	108.9	W606	K604-W606 PolarHBondContact O-N 2.94Å
605	P	26.4	Very low	26.1	Very low	108 Å²	108	151.4 Å²	151.4	70%	0.701	76%	0.755	S	S	*	*	S	Bend	trans	-80.1	39.8	-171.6	34.6	-38.1	0	0	0	114	T603	T603-P605 WeakPolarHBondContact O-CD 3.42Å
606	W	26.6	Very low	26.2	Very low	173 Å²	173	150.5 Å²	150.5	66%	0.655	76%	0.76	S	S	*	*			trans	-138.8	35.1	-178.4	-55.2	114.6	0	0	0	113.7	K604 L796	K604-W606 PolarHBondContact O-N 2.94Å; W606-L796 HydrophobicContact CZ2-CD2 4.31Å
607	R	23.8	Very low	26.3	Very low	241 Å²	241	149.2 Å²	149.2	91%	0.909	76%	0.761	S	S	*	*			trans	-91.3	107.6	155.4	-86.6	-166.4	176.1	-165.6	-1	108.8
608	T	26	Very low	26.4	Very low	69 Å²	69	149.1 Å²	149.1	42%	0.423	76%	0.762	S	S	.	*	P	Polyproline II helix	trans	-71.5	153.2	142.7	39.2	0	0	0	0	108.3	D610 R789	T608-D610 PolarHBondContact O-N 3.4Å; T608-R789 PolarHBondContact OG1-NH1 3.34Å; T608-R789 PolarHBondContact OG1-NH2 2.87Å
609	F	24.9	Very low	26.5	Very low	187 Å²	187	149.2 Å²	149.2	82%	0.82	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-58.3	120.9	155	-71.2	-105	0	0	0	107.7
610	D	24.3	Very low	26.6	Very low	134 Å²	134	154 Å²	154	72%	0.717	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-74.1	119.9	145.3	-64.8	-50.9	0	0	0	104.4	T608 T612	T608-D610 PolarHBondContact O-N 3.4Å; D610-T612 PolarHBondContact O-N 2.95Å
611	L	25.2	Very low	26.7	Very low	158 Å²	158	148.9 Å²	148.9	83%	0.827	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-69.8	116.7	166.4	-79.9	89.6	0	0	0	106.5
612	T	29.2	Very low	26.9	Very low	108 Å²	108	150.1 Å²	150.1	66%	0.663	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-66.1	131.5	157.7	38.9	0	0	0	0	108	D610 E614	D610-T612 PolarHBondContact O-N 2.95Å; T612-E614 PolarHBondContact O-N 2.82Å
613	D	24.3	Very low	27.1	Very low	159 Å²	159	149.2 Å²	149.2	85%	0.85	78%	0.782	S	S	*	*			trans	-69.1	82.5	168.9	-63.8	-61.4	0	0	0	108.4
614	E	27.4	Very low	27.1	Very low	172 Å²	172	152.2 Å²	152.2	80%	0.804	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-91.2	123.4	167.8	-68.1	-158.4	153	0	0	109.5	T612 E616	T612-E614 PolarHBondContact O-N 2.82Å; E614-E616 PolarHBondContact O-N 3.36Å
615	T	26.4	Very low	27.3	Very low	129 Å²	129	146.8 Å²	146.8	79%	0.791	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-71.2	117.7	-179.1	49.2	0	0	0	0	110.9	N617	T615-N617 PolarHBondContact O-N 2.9Å
616	E	27.4	Very low	27.5	Very low	202 Å²	202	150 Å²	150	94%	0.944	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-61.8	118.1	158	-73.5	-176.6	134.5	0	0	108.8	E614	E614-E616 PolarHBondContact O-N 3.36Å
617	N	29.2	Very low	27.6	Very low	151 Å²	151	147.9 Å²	147.9	81%	0.807	80%	0.796	S	S	*	*			trans	-138	112.1	170.3	-167.2	16.5	0	0	0	107.1	T615 G619	T615-N617 PolarHBondContact O-N 2.9Å; N617-G619 PolarHBondContact O-N 2.98Å
618	D	28.5	Very low	27.8	Very low	166 Å²	166	144 Å²	144	89%	0.888	79%	0.788	S	S	*	*			trans	-66.2	98.9	-163.8	-94.6	-46	0	0	0	113.6	K620	D618-K620 PolarHBondContact O-N 3.45Å
619	G	29.5	Very low	27.9	Very low	76 Å²	76	148 Å²	148	78%	0.784	80%	0.801	S	S	*	*			trans	-83.5	86.6	175.6	0	0	0	0	0	113.1	N617 A621	N617-G619 PolarHBondContact O-N 2.98Å; G619-A621 PolarHBondContact O-N 3.19Å; G619-A621 VanDerWaalsContact O-N 3.13Å
620	K	31.1	Very low	28	Very low	207 Å²	207	144.7 Å²	144.7	90%	0.9	80%	0.796	S	S	*	*			trans	-63.4	111.1	166.9	-84.5	-177.1	176.6	173.9	0	111.1	D618	D618-K620 PolarHBondContact O-N 3.45Å
621	A	28	Very low	28.3	Very low	86 Å²	86	147 Å²	147	71%	0.711	80%	0.802	S	S	*	*			trans	43.7	139.5	149.9	0	0	0	0	0	118.9	G619	G619-A621 PolarHBondContact O-N 3.19Å; G619-A621 VanDerWaalsContact O-N 3.13Å
622	T	30.1	Very low	28.3	Very low	122 Å²	122	146.1 Å²	146.1	75%	0.748	80%	0.798	S	S	*	*				-175.9	145.5	66.8	-58.6	0	0	0	0	112.2
623	L	29.7	Very low	28.2	Very low	168 Å²	168	150 Å²	150	88%	0.88	81%	0.806	S	S	*	*			trans	74	158.3	161.1	-115.7	65.8	0	0	0	122.9
624	M	25.9	Very low	28.4	Very low	187 Å²	187	148.8 Å²	148.8	92%	0.921	80%	0.799	S	S	*	*			trans	-95.5	161.1	-177.8	-59.2	171.6	167.9	0	0	112.5
625	G	29.7	Very low	28.3	Very low	79 Å²	79	148 Å²	148	81%	0.814	80%	0.795	S	S	*	*			trans	-159.6	140.6	163.2	0	0	0	0	0	111
626	Q	30.8	Very low	28.4	Very low	177 Å²	177	149.1 Å²	149.1	83%	0.827	80%	0.801	S	S	*	*			trans	-105.3	147.2	-168.9	-76.2	-177.7	-17.6	0	0	114.7
627	N	27.3	Very low	28.4	Very low	128 Å²	128	144.9 Å²	144.9	68%	0.684	79%	0.785	S	S	*	*			trans	59.9	117.9	138.1	-64.5	-11.8	0	0	0	123
628	H	28.4	Very low	28.5	Very low	159 Å²	159	147.7 Å²	147.7	74%	0.736	79%	0.79	S	S	*	*				78.5	145.5	126.8	-87.9	-89.2	0	0	0	124.4
629	H	29.3	Very low	28.4	Very low	154 Å²	154	146.6 Å²	146.6	71%	0.713	78%	0.784	S	S	*	*			trans	72.4	92.3	153.1	-79.5	-67.4	0	0	0	122.7
630	V	26.6	Very low	28.4	Very low	117 Å²	117	146.2 Å²	146.2	71%	0.709	78%	0.78	S	S	*	*				36.2	110.2	115.4	-174.6	0	0	0	0	118.2
631	H	29.7	Very low	28.4	Very low	182 Å²	182	144.1 Å²	144.1	84%	0.843	77%	0.774	S	S	*	*				-155.5	172.1	118.7	-131.7	-101.2	0	0	0	113.7
632	N	26.5	Very low	28.5	Very low	140 Å²	140	146 Å²	146	75%	0.749	77%	0.772	S	S	*	*			trans	-99.5	160.4	-170.9	-91.9	-56.5	0	0	0	114.8
633	K	27.5	Very low	28.5	Very low	190 Å²	190	148.2 Å²	148.2	83%	0.826	77%	0.774	S	S	*	*			trans	92.1	123.6	138.4	-108.9	-176.6	-180	-176.8	0	121.9
634	L	26.7	Very low	28.5	Very low	132 Å²	132	146 Å²	146	69%	0.691	76%	0.762	S	S	*	*				106.4	105.1	125.6	-139.1	78.2	0	0	0	120.6
635	Q	25.2	Very low	28.7	Very low	156 Å²	156	144.4 Å²	144.4	73%	0.729	76%	0.756	S	S	*	*			trans	23.9	133.7	138.9	-55.5	171.2	-47.8	0	0	121.5
636	V	29.9	Very low	29.1	Very low	152 Å²	152	145.6 Å²	145.6	92%	0.921	75%	0.749	S	S	*	*			trans	-127.6	137.2	134.1	177.1	0	0	0	0	108.9
637	N	27.8	Very low	28.9	Very low	113 Å²	113	146.4 Å²	146.4	60%	0.604	76%	0.756	S	S	*	*			trans	-79.7	157.4	-174.9	-101.8	-5.7	0	0	0	114.4
638	K	31.2	Very low	28.8	Very low	211 Å²	211	143.3 Å²	143.3	92%	0.917	75%	0.754	S	S	*	*				-154.2	144.5	126.3	-112.3	173.7	-177.5	-178.5	0	110.9
639	N	26.8	Very low	28.8	Very low	142 Å²	142	143 Å²	143	76%	0.759	76%	0.758	S	S	*	*			trans	-112	165.5	-168.2	-62.2	-1.6	0	0	0	112.5
640	G	28.3	Very low	28.7	Very low	68 Å²	68	140.1 Å²	140.1	70%	0.701	76%	0.755	S	S	*	*			trans	147.8	76.8	171.3	0	0	0	0	0	111
641	H	30.9	Very low	28.8	Very low	164 Å²	164	141.3 Å²	141.3	76%	0.759	76%	0.756	S	S	*	*				68.8	107.1	92.5	-90.7	-49.3	0	0	0	116.1
642	D	30.2	Very low	28.8	Very low	126 Å²	126	140.4 Å²	140.4	67%	0.674	75%	0.752	S	S	*	*				72.3	115.9	128.7	-53.2	3.6	0	0	0	123.2
643	E	30.8	Very low	28.9	Very low	168 Å²	168	138.9 Å²	138.9	79%	0.785	74%	0.744	S	S	*	*			trans	69.4	126.7	131.8	-65.5	-154.9	173.9	0	0	125
644	N	29.7	Very low	29	Very low	120 Å²	120	137 Å²	137	64%	0.642	74%	0.743	S	S	*	*			trans	65.7	91.9	135.4	-62.2	-34	0	0	0	122.6
645	I	30.7	Very low	29.1	Very low	155 Å²	155	138 Å²	138	80%	0.795	74%	0.744	S	S	*	*				35.5	134.5	108.8	-63.8	174	0	0	0	118.3
646	P	37.4	Very low	29.1	Very low	103 Å²	103	136.8 Å²	136.8	67%	0.669	74%	0.742	S	S	*	*			cis	-144.5	173.7	-22.6	41.2	-21.9	0	0	0	116.6
647	M	27.1	Very low	29	Very low	195 Å²	195	140.2 Å²	140.2	96%	0.961	74%	0.74	S	S	*	*			trans	60.2	154.3	164	-55.5	-138.6	-62.2	0	0	118.1
648	G	24.8	Very low	29	Very low	63 Å²	63	142.5 Å²	142.5	65%	0.649	75%	0.752	S	S	*	*			cis	160.3	133.6	-9.1	0	0	0	0	0	111.7
649	N	28.1	Very low	28.6	Very low	153 Å²	153	141.4 Å²	141.4	82%	0.818	75%	0.747	S	S	*	*			trans	-153.5	134.1	171.2	-90	-28	0	0	0	106.8
650	S	26.2	Very low	29	Very low	93 Å²	93	139.8 Å²	139.8	65%	0.65	74%	0.744	S	S	*	*				65.1	133.1	57.5	84.6	0	0	0	0	111
651	I	29.9	Very low	28.9	Very low	142 Å²	142	143 Å²	143	73%	0.728	75%	0.745	S	S	*	*				-144.5	148.6	57	-82.8	158	0	0	0	107.2
652	Q	28.5	Very low	28.8	Very low	163 Å²	163	143 Å²	143	76%	0.762	74%	0.743	S	S	*	*				-161.1	123.3	78.5	-160	157.8	5.4	0	0	116.2
653	D	29.4	Very low	28.7	Very low	108 Å²	108	143.5 Å²	143.5	58%	0.578	74%	0.741	S	S	*	*			trans	52.3	117.8	144.2	-46.9	-8.1	0	0	0	119.4
654	D	29.5	Very low	28.5	Very low	150 Å²	150	141.7 Å²	141.7	80%	0.802	74%	0.736	S	S	*	*				83.5	144.5	59.5	-79.3	3.8	0	0	0	113.4
655	E	28.8	Very low	28.3	Very low	154 Å²	154	140 Å²	140	72%	0.72	73%	0.734	S	S	*	*			cis	-161.6	177.2	-22.7	-129.9	-79.8	81.7	0	0	108.1
656	N	24.5	Very low	28	Very low	129 Å²	129	140 Å²	140	69%	0.69	74%	0.735	S	S	*	*			trans	-81.6	151.6	-171.4	-70.6	-91.5	0	0	0	116.1
657	Y	28.9	Very low	27.6	Very low	225 Å²	225	140.4 Å²	140.4	88%	0.882	74%	0.741	S	S	*	*			trans	-162.1	127.8	145.3	-105.4	-64.1	0	0	0	117.4
658	L	27.1	Very low	27.6	Very low	161 Å²	161	139.3 Å²	139.3	84%	0.843	73%	0.733	S	S	*	*			trans	66.3	154.8	150.4	-119.4	73.6	0	0	0	125.3
659	K	23.8	Very low	27.8	Very low	188 Å²	188	143 Å²	143	82%	0.817	74%	0.737	S	S	*	*			trans	-116.2	-179.6	176	-108.4	179.9	-176.4	175.6	0	109.1
660	P	33.8	Very low	27.7	Very low	108 Å²	108	143.7 Å²	143.7	70%	0.701	74%	0.735	S	S	*	*			cis	-120	-153.3	20.7	46	-31.7	0	0	0	112.7
661	N	27.4	Very low	27.7	Very low	134 Å²	134	144 Å²	144	72%	0.717	73%	0.732	S	S	*	*			cis	-135.6	-175.4	14.3	-104.7	-21.5	0	0	0	109.8
662	K	28.5	Very low	27.5	Very low	165 Å²	165	145.6 Å²	145.6	72%	0.717	74%	0.737	S	S	*	*			cis	75.7	152.4	26.4	-85.4	-179.9	170.6	-103.7	0	114
663	Q	27	Very low	27.3	Very low	137 Å²	137	141.9 Å²	141.9	64%	0.64	73%	0.729	S	S	*	*			cis	173.9	163	-16.8	-115.3	-172.6	-41.4	0	0	105.2
664	L	28.3	Very low	27.3	Very low	130 Å²	130	144.5 Å²	144.5	68%	0.681	74%	0.738	S	S	*	*			cis	-168.2	160	-4.8	-173.1	71.1	0	0	0	108
665	S	25.3	Very low	27.2	Very low	84 Å²	84	143.7 Å²	143.7	59%	0.587	73%	0.734	S	S	*	*			trans	59	156.6	148.8	51.3	0	0	0	0	121.6
666	D	24.4	Very low	27.2	Very low	154 Å²	154	143.9 Å²	143.9	82%	0.824	73%	0.734	S	S	*	*			cis	-173.5	138.7	-23.2	-87.4	-29.9	0	0	0	107.5
667	S	27.9	Very low	27.5	Very low	112 Å²	112	143.9 Å²	143.9	78%	0.783	73%	0.734	S	S	*	*			trans	-174.5	133.2	151.6	52.5	0	0	0	0	116.8
668	E	28.1	Very low	27.6	Very low	172 Å²	172	139.1 Å²	139.1	80%	0.804	72%	0.724	S	S	*	*			trans	46.9	109.3	134.6	-59.7	-174.4	133.8	0	0	124.7
669	I	27.9	Very low	27.8	Very low	142 Å²	142	138.6 Å²	138.6	73%	0.728	72%	0.721	S	S	*	*				63.9	106.6	112.2	-63.6	168.7	0	0	0	121.1
670	H	26.9	Very low	28.1	Very low	167 Å²	167	139.4 Å²	139.4	77%	0.773	72%	0.719	S	S	*	*			trans	67.1	139.1	135.8	-85.9	-101.3	0	0	0	125.9
671	T	26.1	Very low	28	Very low	98 Å²	98	138 Å²	138	60%	0.601	71%	0.711	S	S	*	*			trans	69.6	119.2	143.9	44.4	0	0	0	0	123.2
672	E	25.1	Very low	28.2	Very low	176 Å²	176	138.3 Å²	138.3	82%	0.822	71%	0.713	S	S	*	*				69.1	152.8	127.3	-67.6	176.9	-175.9	0	0	120.7
673	S	24.6	Very low	28.3	Very low	86 Å²	86	134 Å²	134	60%	0.601	70%	0.703	S	S	*	*			cis	-166.5	-169.6	-19.9	58.2	0	0	0	0	109.6
674	Q	29.3	Very low	28.5	Very low	163 Å²	163	134.4 Å²	134.4	76%	0.762	71%	0.71	S	S	*	*			trans	75.6	120.6	166.5	-68.9	172.9	35	0	0	115.7
675	N	27.3	Very low	28.7	Very low	133 Å²	133	135 Å²	135	71%	0.711	72%	0.718	S	S	*	*				78.8	143.9	75.7	-68.3	5	0	0	0	112.5
676	Q	29.7	Very low	28.7	Very low	158 Å²	158	136.4 Å²	136.4	74%	0.738	73%	0.728	S	S	*	*			cis	-146.6	165.5	-1	-123	156.7	-54.1	0	0	107.9
677	D	30.8	Very low	29	Very low	128 Å²	128	133.4 Å²	133.4	68%	0.684	73%	0.725	S	S	*	*				-179	144.7	88.5	-111.1	-17.4	0	0	0	112.5
678	N	30.4	Very low	29.1	Very low	126 Å²	126	137 Å²	137	67%	0.674	73%	0.729	S	S	*	*			trans	51.4	138.4	139.9	-59.5	-39.2	0	0	0	121
679	L	30.7	Very low	29.3	Very low	149 Å²	149	135.3 Å²	135.3	78%	0.78	73%	0.726	S	S	*	*			cis	-169	157.1	16.2	-138.8	61.6	0	0	0	105.6
680	R	29.9	Very low	29.5	Very low	206 Å²	206	136 Å²	136	78%	0.777	73%	0.731	S	S	*	*			cis	176.9	157.7	-16.1	158.8	178.1	165.8	-149.8	-13.6	109.3
681	C	31.9	Very low	29.6	Very low	78 Å²	78	137 Å²	137	53%	0.527	74%	0.736	S	S	.	*			trans	69.8	147.6	167.8	-72.3	0	0	0	0	117.7
682	D	31.6	Very low	29.7	Very low	140 Å²	140	138 Å²	138	75%	0.749	74%	0.738	S	S	*	*			cis	-171.3	164.8	-15.4	-99.4	-11.1	0	0	0	107.7
683	S	32.1	Very low	30	Very low	75 Å²	75	137.2 Å²	137.2	52%	0.524	73%	0.731	S	S	.	*			cis	-172	167.6	-27.1	63.3	0	0	0	0	109.2
684	N	30.1	Very low	30.2	Very low	146 Å²	146	138.7 Å²	138.7	78%	0.781	74%	0.742	S	S	*	*			trans	54.3	124.1	151.9	-52.9	-19.9	0	0	0	119.3
685	V	32.3	Very low	30.7	Very low	141 Å²	141	136.3 Å²	136.3	86%	0.855	74%	0.74	S	S	*	*				-163.8	153.5	52.5	164.6	0	0	0	0	110.1
686	S	25.6	Very low	30.8	Very low	114 Å²	114	139.9 Å²	139.9	80%	0.797	75%	0.749	S	S	*	*			trans	-107	139.6	170.6	55.7	0	0	0	0	113.2
687	A	31.1	Very low	30.8	Very low	91 Å²	91	136.4 Å²	136.4	75%	0.752	75%	0.748	S	S	*	*			trans	-166.9	127.9	150.6	0	0	0	0	0	110.3
688	H	29.3	Very low	30.6	Very low	188 Å²	188	135.2 Å²	135.2	87%	0.87	75%	0.749	S	S	*	*			trans	-161	84.9	160	-134.2	-41.4	0	0	0	109.9
689	D	32.4	Very low	30.7	Very low	136 Å²	136	138.2 Å²	138.2	73%	0.727	76%	0.757	S	S	*	*			trans	-102.8	147.3	167.9	-57.2	-58.2	0	0	0	108.9
690	D	31.4	Very low	30.7	Very low	156 Å²	156	137.3 Å²	137.3	83%	0.834	76%	0.758	S	S	*	*			trans	50.4	155.5	152.8	-57.2	-25.5	0	0	0	120.9
691	E	30	Very low	31.1	Very low	189 Å²	189	132.8 Å²	132.8	88%	0.883	76%	0.755	S	S	*	*			cis	-142.9	-172.1	-1.5	-143.9	-169.9	172	0	0	110.4
692	D	28.7	Very low	30.9	Very low	120 Å²	120	137.7 Å²	137.7	64%	0.642	77%	0.77	S	S	*	*			trans	-121.4	163.5	-173.8	-176.4	20.9	0	0	0	112.4
693	K	31	Very low	30.9	Very low	158 Å²	158	138.8 Å²	138.8	69%	0.687	77%	0.774	S	S	*	*			trans	73.7	108.4	164.9	-57.7	179.3	-175.6	65.3	0	121.6
694	S	27.7	Very low	30.6	Very low	117 Å²	117	140.6 Å²	140.6	82%	0.818	79%	0.785	S	S	*	*				86.6	164.4	115.8	85.5	0	0	0	0	120.2
695	P	40.5	Very low	30.6	Very low	113 Å²	113	140.9 Å²	140.9	73%	0.734	79%	0.786	S	S	*	*			trans	-124.4	167.8	-147.9	43.7	-34.6	0	0	0	117.9
696	K	29.5	Very low	30.3	Very low	208 Å²	208	138.2 Å²	138.2	90%	0.904	77%	0.774	S	S	*	*			trans	-174	144.1	139	-106.8	156.5	-173.1	172.6	0	117.2
697	A	29	Very low	30.6	Very low	85 Å²	85	140.1 Å²	140.1	70%	0.702	78%	0.775	S	S	*	*			trans	69.9	104	137.3	0	0	0	0	0	124.2
698	S	28	Very low	30.5	Very low	103 Å²	103	140.7 Å²	140.7	72%	0.72	77%	0.769	S	S	*	*				62.1	126.2	123.8	68.4	0	0	0	0	123.6
699	K	31.8	Very low	30.5	Very low	190 Å²	190	137.3 Å²	137.3	83%	0.826	77%	0.767	S	S	*	*				167.1	108.7	121.9	-96.6	176.4	179.9	-178.4	0	111.9
700	T	30.9	Very low	30.2	Very low	130 Å²	130	134.8 Å²	134.8	80%	0.798	77%	0.765	S	S	*	*				87.6	153.3	98.4	48.8	0	0	0	0	115.2
701	P	39.1	Very low	30.1	Very low	111 Å²	111	133.1 Å²	133.1	72%	0.721	76%	0.76	S	S	*	*			trans	-127	-149.7	-140.4	45.3	-30.9	0	0	0	115.4
702	E	27.7	Very low	30	Very low	180 Å²	180	130.9 Å²	130.9	84%	0.841	75%	0.753	S	S	*	*			trans	76.9	150.3	177.5	-71.1	169.2	178.7	0	0	114.1
703	I	30.8	Very low	30.1	Very low	163 Å²	163	130.4 Å²	130.4	84%	0.836	76%	0.755	S	S	*	*			cis	-129.7	165.4	41	-74.7	166.5	0	0	0	113.6
704	C	25.5	Very low	30	Very low	113 Å²	113	131.2 Å²	131.2	76%	0.764	76%	0.761	S	S	*	*			trans	-109.8	-159.9	-174.7	-160.6	0	0	0	0	112.6
705	L	29.5	Very low	30.1	Very low	153 Å²	153	132.9 Å²	132.9	80%	0.801	75%	0.753	S	S	*	*			trans	77.9	148	174.7	-53.3	157.6	0	0	0	115.5
706	S	27	Very low	29.4	Very low	85 Å²	85	133 Å²	133	59%	0.594	75%	0.748	S	S	*	*			cis	155.9	129	-40.2	54.2	0	0	0	0	108.4
707	D	30.8	Very low	29.4	Very low	153 Å²	153	129.7 Å²	129.7	82%	0.818	74%	0.74	S	S	*	*			trans	-178.5	164.7	145.2	-98.7	-25.6	0	0	0	111.4
708	T	30.5	Very low	29.3	Very low	103 Å²	103	131.5 Å²	131.5	63%	0.632	74%	0.738	S	S	*	*			cis	-168.9	134.1	-49.5	-92.7	0	0	0	0	108.7
709	S	28.2	Very low	29.4	Very low	117 Å²	117	133.9 Å²	133.9	82%	0.818	74%	0.737	S	S	*	*			trans	63.7	173	164.1	78.9	0	0	0	0	118.7
710	A	26.9	Very low	29.3	Very low	84 Å²	84	131.8 Å²	131.8	69%	0.694	73%	0.734	S	S	*	*			cis	-173	-174.5	-47.1	0	0	0	0	0	109.2
711	V	28.8	Very low	29.2	Very low	121 Å²	121	130.2 Å²	130.2	73%	0.733	72%	0.724	S	S	*	*			trans	75.2	106.5	165.8	-169	0	0	0	0	114
712	I	29	Very low	28.9	Very low	142 Å²	142	133.4 Å²	133.4	73%	0.728	73%	0.727	S	S	*	*				69.1	128	68.5	-57.2	161.2	0	0	0	110
713	T	29.8	Very low	29	Very low	110 Å²	110	131.2 Å²	131.2	68%	0.675	72%	0.721	S	S	*	*			cis	-160.5	156.5	29.5	-7.8	0	0	0	0	110.9
714	Q	29.5	Very low	29	Very low	174 Å²	174	134.9 Å²	134.9	81%	0.813	73%	0.725	S	S	*	*			trans	56.3	160.7	141.4	-74.3	-177	-0.2	0	0	121.1
715	K	28.5	Very low	29.2	Very low	153 Å²	153	137.5 Å²	137.5	67%	0.665	73%	0.73	S	S	*	*			cis	-177.6	137.4	-19.5	169.3	-175.9	174.7	-166.5	0	109.8
716	N	26.9	Very low	29.1	Very low	116 Å²	116	136.5 Å²	136.5	62%	0.62	73%	0.731	S	S	*	*			trans	61.7	165	164.5	-72.8	43.1	0	0	0	115.9
717	D	28.1	Very low	29.2	Very low	137 Å²	137	138 Å²	138	73%	0.733	74%	0.741	S	S	*	*			cis	-165.7	169.5	-19.4	-88.7	-11.5	0	0	0	104.9
718	D	27.8	Very low	29.1	Very low	124 Å²	124	135.3 Å²	135.3	66%	0.663	74%	0.74	S	S	*	*			cis	-168.2	170.8	-31.4	-178.7	9	0	0	0	104.8
719	H	29.8	Very low	28.9	Very low	152 Å²	152	140.9 Å²	140.9	70%	0.704	75%	0.749	S	S	*	*			trans	69.4	139.8	168.6	-65.5	0.1	0	0	0	116.6
720	L	29.3	Very low	28.8	Very low	146 Å²	146	141.4 Å²	141.4	76%	0.764	74%	0.743	S	S	*	*			cis	-167.9	-167.4	-7.1	-156.8	61.9	0	0	0	104.1
721	T	30.6	Very low	28.6	Very low	97 Å²	97	141.7 Å²	141.7	60%	0.595	74%	0.74	S	S	*	*			cis	-163.3	133.4	11.6	-42.5	0	0	0	0	111
722	K	31	Very low	28.5	Very low	179 Å²	179	147 Å²	147	78%	0.778	75%	0.748	S	S	*	*			trans	62.1	155.5	156.2	-76.6	178.5	-175.7	-179.9	0	119.2
723	D	30.5	Very low	28.3	Very low	134 Å²	134	146.2 Å²	146.2	72%	0.717	75%	0.75	S	S	*	*			cis	-143.5	135.2	3.7	-105	-36	0	0	0	111.7
724	R	30.8	Very low	27.9	Very low	240 Å²	240	146.6 Å²	146.6	91%	0.906	76%	0.756	S	S	*	*	S	Bend		164.4	155	130	-90.8	174.7	-179	-160.3	-0.8	112.5
725	L	29.5	Very low	27.8	Very low	168 Å²	168	146.6 Å²	146.6	88%	0.88	76%	0.761	S	S	*	*			trans	66.4	66.6	172.3	-73.1	156.2	0	0	0	117.7
726	T	28.7	Very low	27.5	Very low	132 Å²	132	143 Å²	143	81%	0.81	76%	0.76	S	S	*	*				-32.9	156.3	129.3	46.5	0	0	0	0	114
727	S	28.4	Very low	27.4	Very low	116 Å²	116	143.7 Å²	143.7	81%	0.811	77%	0.768	S	S	*	*			cis	-170.4	161.7	-7.1	-165.7	0	0	0	0	104.8
728	A	29.4	Very low	27.4	Very low	96 Å²	96	146.8 Å²	146.8	79%	0.793	77%	0.77	S	S	*	*			cis	-152.3	-178.8	32.2	0	0	0	0	0	113.3
729	R	26.1	Very low	27.2	Very low	220 Å²	220	152.9 Å²	152.9	83%	0.83	78%	0.783	S	S	*	*			trans	-132.2	129.1	-160.5	-176.2	178.8	-175.9	170	2.1	112.7
730	N	24.9	Very low	27.2	Very low	129 Å²	129	155.3 Å²	155.3	69%	0.69	79%	0.788	S	S	*	*			trans	59.9	145.5	153.8	-64.5	10.2	0	0	0	122.1
731	S	23	Very low	27.1	Very low	89 Å²	89	153.9 Å²	153.9	62%	0.622	79%	0.79	S	S	*	*			trans	59.6	118.6	143.7	55.6	0	0	0	0	119.9
732	Y	26.9	Very low	26.9	Very low	232 Å²	232	156 Å²	156	91%	0.91	80%	0.797	S	S	*	*				-143.9	175.1	99.8	-91.9	-65.2	0	0	0	111
733	T	23.9	Very low	26.8	Very low	127 Å²	127	153.2 Å²	153.2	78%	0.779	79%	0.794	S	S	*	*			trans	-103.2	155.9	-160.8	47	0	0	0	0	114.9
734	C	22	Very low	26.6	Very low	118 Å²	118	153.1 Å²	153.1	80%	0.797	79%	0.793	S	S	*	*			trans	66.5	112.2	153.5	-160.8	0	0	0	0	118.5
735	L	27.2	Very low	26.4	Very low	174 Å²	174	148.7 Å²	148.7	91%	0.911	79%	0.786	S	S	*	*				-160.7	148.6	123.5	-108.1	164.8	0	0	0	109.7
736	A	23.1	Very low	26.5	Very low	77 Å²	77	145.9 Å²	145.9	64%	0.636	78%	0.778	S	S	*	*			trans	-96	150.8	-174	0	0	0	0	0	112.6
737	T	24.9	Very low	26.3	Very low	131 Å²	131	145.2 Å²	145.2	80%	0.804	78%	0.779	S	S	*	*				-176.5	155.8	124.9	21.7	0	0	0	0	114.1
738	R	27	Very low	26.2	Very low	202 Å²	202	147.3 Å²	147.3	76%	0.762	78%	0.781	S	S	*	*			trans	57.3	94.7	152.3	-70.5	172	178.4	176.5	2	118.8
739	R	24.6	Very low	26	Very low	252 Å²	252	150.7 Å²	150.7	95%	0.951	78%	0.78	S	S	*	*			trans	-67.7	131.4	146.5	-62.6	-179.6	-176.7	174.8	1.4	109.5
740	Y	30	Very low	26.1	Very low	203 Å²	203	148 Å²	148	80%	0.796	78%	0.776	S	S	*	*			trans	-109.3	158.2	155.9	-91.3	-77.5	0	0	0	109.5	L742	Y740-L742 PolarHBondContact O-N 3Å
741	S	26.4	Very low	26.1	Very low	115 Å²	115	146.1 Å²	146.1	80%	0.804	77%	0.774	S	S	*	*			trans	-64.5	121.3	-172.8	-170	0	0	0	0	112.2	V743	S741-V743 PolarHBondContact O-N 3.46Å
742	L	26.4	Very low	26.3	Very low	143 Å²	143	146.9 Å²	146.9	75%	0.749	78%	0.779	S	S	*	*			trans	-78.4	98.1	176.7	-176.2	71.2	0	0	0	109.8	Y740 I744	Y740-L742 PolarHBondContact O-N 3Å; L742-I744 HydrophobicContact CD2-CD1 4.15Å; L742-I744 HydrophobicContact CD2-CG1 3.77Å; L742-I744 HydrophobicContact CG-CG1 3.84Å; L742-I744 PolarHBondContact O-N 3.29Å
743	V	28.4	Very low	26.3	Very low	119 Å²	119	144.8 Å²	144.8	72%	0.721	78%	0.775	S	S	*	*			trans	-82	104.1	161.2	176.7	0	0	0	0	107.4	S741 L745	S741-V743 PolarHBondContact O-N 3.46Å; V743-L745 PolarHBondContact O-N 3.08Å
744	I	27.1	Very low	26.4	Very low	133 Å²	133	144.1 Å²	144.1	68%	0.682	77%	0.766	S	S	*	*			trans	-70.7	119	175	-57.8	175.7	0	0	0	108.9	L742	L742-I744 HydrophobicContact CD2-CD1 4.15Å; L742-I744 HydrophobicContact CD2-CG1 3.77Å; L742-I744 HydrophobicContact CG-CG1 3.84Å; L742-I744 PolarHBondContact O-N 3.29Å
745	L	26.7	Very low	26.6	Very low	146 Å²	146	146.4 Å²	146.4	76%	0.764	77%	0.765	S	S	*	*			trans	-125.3	134.5	153	-80.1	168.2	0	0	0	106.3	V743	V743-L745 PolarHBondContact O-N 3.08Å
746	P	30.6	Very low	26.6	Very low	109 Å²	109	145.8 Å²	145.8	71%	0.708	76%	0.758	S	S	*	*			trans	-69.2	143	-176.2	28.9	-34.3	0	0	0	111
747	S	26	Very low	26.6	Very low	119 Å²	119	150.2 Å²	150.2	83%	0.832	76%	0.763	S	S	*	*			trans	-107	111.2	164.3	-65.1	0	0	0	0	108.5
748	D	25.8	Very low	26.8	Very low	160 Å²	160	151.2 Å²	151.2	86%	0.856	76%	0.763	S	S	*	*			trans	-102.7	137	158.8	-74.5	-52.9	0	0	0	108.2
749	Q	25.9	Very low	26.7	Very low	167 Å²	167	145.8 Å²	145.8	78%	0.78	76%	0.762	S	S	*	*			trans	-150.6	140	-180	-140	-177.6	16.1	0	0	110.4
750	H	27.9	Very low	26.9	Very low	162 Å²	162	140.8 Å²	140.8	75%	0.75	76%	0.759	S	S	*	*			trans	70.1	143	167.7	-73.6	-61.1	0	0	0	118.3
751	S	25	Very low	26.7	Very low	91 Å²	91	136.6 Å²	136.6	64%	0.636	75%	0.754	S	S	*	*			cis	-166.8	146.5	-14.2	-149	0	0	0	0	112.6
752	S	26.3	Very low	26.8	Very low	105 Å²	105	139.2 Å²	139.2	73%	0.734	76%	0.758	S	S	*	*			trans	64.9	149.9	159.9	82.2	0	0	0	0	117
753	K	28.1	Very low	26.9	Very low	188 Å²	188	138.7 Å²	138.7	82%	0.817	76%	0.756	S	S	*	*			cis	-133.1	-161.9	-2.2	-60	-179.7	175.5	-175.9	0	108.2
754	N	24.6	Very low	26.7	Very low	113 Å²	113	136.8 Å²	136.8	60%	0.604	75%	0.748	S	S	*	*			cis	-154	176.1	-4.3	-147.8	43.9	0	0	0	109.1
755	E	27.6	Very low	26.7	Very low	165 Å²	165	139.2 Å²	139.2	77%	0.771	75%	0.753	S	S	*	*			trans	62.5	169.2	157.5	-81.2	150.8	-125.7	0	0	119.8
756	E	26.2	Very low	26.7	Very low	161 Å²	161	138.8 Å²	138.8	75%	0.752	76%	0.757	S	S	*	*				-152.5	146.5	-91.2	-171.5	169.8	-174.5	0	0	109.5
757	F	24	Very low	26.6	Very low	170 Å²	170	140.8 Å²	140.8	75%	0.746	76%	0.755	S	S	*	*			trans	28	129	164.1	-80.2	-118.7	0	0	0	119.9
758	N	27.6	Very low	26.6	Very low	152 Å²	152	142.2 Å²	142.2	81%	0.813	75%	0.753	S	S	*	*				-161.2	165.4	69.1	-100.9	-66.9	0	0	0	114.3
759	A	26.3	Very low	26.8	Very low	88 Å²	88	143.8 Å²	143.8	73%	0.727	75%	0.752	S	S	*	*			trans	-106.4	162.6	-179.4	0	0	0	0	0	113.1
760	V	27.2	Very low	26.9	Very low	148 Å²	148	140.1 Å²	140.1	90%	0.897	74%	0.738	S	S	*	*			trans	-113	127.8	161.7	173.7	0	0	0	0	108.7
761	T	27	Very low	27	Very low	114 Å²	114	138.5 Å²	138.5	70%	0.699	73%	0.734	S	S	*	*			trans	-88	142.3	-172.8	-35.1	0	0	0	0	112.1
762	I	28.9	Very low	27.2	Very low	171 Å²	171	141.6 Å²	141.6	88%	0.877	74%	0.739	S	S	*	*			trans	-125.8	132.3	146.3	-65.6	-176.6	0	0	0	106.6
763	D	27.6	Very low	27.4	Very low	132 Å²	132	143.7 Å²	143.7	71%	0.706	74%	0.742	S	S	*	*			trans	-86.3	166.3	-165.8	-159.9	0.4	0	0	0	113.4
764	S	24.5	Very low	27.5	Very low	79 Å²	79	142.2 Å²	142.2	55%	0.552	74%	0.737	S	S	*	*			trans	-75.9	-173.3	-174.8	62.5	0	0	0	0	115.4
765	K	26.1	Very low	27.7	Very low	184 Å²	184	144 Å²	144	80%	0.8	75%	0.746	S	S	*	*			trans	76.4	60.8	169	-59.6	164.3	-171.1	163.4	0	116.4
766	T	28	Very low	27.7	Very low	137 Å²	137	140.9 Å²	140.9	84%	0.84	74%	0.743	S	S	*	*	S	Bend		-135.4	155.2	128.3	-62.4	0	0	0	0	108.5
767	F	28.1	Very low	27.8	Very low	151 Å²	151	135.7 Å²	135.7	66%	0.662	73%	0.732	S	S	*	*			trans	88.4	14.3	167.1	-144	-105.8	0	0	0	120.1	K769 N770	F767-K769 PolarHBondContact O-N 3.32Å; F767-N770 HydrophobicContact CD1-CB 4.42Å; F767-N770 HydrophobicContact CE1-CB 3.69Å; F767-N770 WeakPolarHBondContact CE2-ND2 3.32Å; F767-N770 HydrophobicContact CZ-CB 3.93Å; F767-N770 WeakPolarHBondContact CZ-ND2 3.47Å
768	D	26.1	Very low	28.1	Very low	148 Å²	148	133.9 Å²	133.9	79%	0.791	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	70	156.6	-94	-42.3	0	0	0	111.1
769	K	29.4	Very low	28.1	Very low	193 Å²	193	137.7 Å²	137.7	84%	0.839	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.7	14.2	167	-130.6	174	-174.5	178.4	0	115.4	F767	F767-K769 PolarHBondContact O-N 3.32Å
770	N	29.3	Very low	28.2	Very low	90 Å²	90	142 Å²	142	48%	0.481	74%	0.743	S	S	.	*	S	Bend	trans	-134.1	13.6	172.9	-77.6	-68.4	0	0	0	112.9	F767	F767-N770 HydrophobicContact CD1-CB 4.42Å; F767-N770 HydrophobicContact CE1-CB 3.69Å; F767-N770 WeakPolarHBondContact CE2-ND2 3.32Å; F767-N770 HydrophobicContact CZ-CB 3.93Å; F767-N770 WeakPolarHBondContact CZ-ND2 3.47Å
771	L	29	Very low	28.3	Very low	128 Å²	128	140.3 Å²	140.3	67%	0.67	73%	0.733	S	S	*	*	S	Bend	trans	-104.5	32.4	-173.1	-155.8	67.8	0	0	0	114
772	Q	28.4	Very low	28.5	Very low	157 Å²	157	140.9 Å²	140.9	73%	0.734	74%	0.739	S	S	*	*	S	Bend	trans	-126.8	-44.6	169.8	-143.6	84.8	58.8	0	0	111.9	H774	Q772-H774 VanDerWaalsContact C-N 3.33Å; Q772-H774 PolarHBondContact O-N 3.43Å
773	D	31.2	Very low	28.6	Very low	148 Å²	148	140.2 Å²	140.2	79%	0.791	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-74.9	-17	-178.7	-69.1	-55.2	0	0	0	114.8	L775 S776	D773-L775 VanDerWaalsContact C-N 3.28Å; D773-L775 PolarHBondContact O-N 2.96Å; D773-S776 PolarHBondContact O-OG 2.97Å; D773-S776 VanDerWaalsContact O-OG 3.08Å
774	H	31	Very low	28.7	Very low	157 Å²	157	144 Å²	144	73%	0.727	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-80.3	-4	180	-121.2	-58.3	0	0	0	114.8	Q772 S776 G777	Q772-H774 VanDerWaalsContact C-N 3.33Å; Q772-H774 PolarHBondContact O-N 3.43Å; H774-S776 PolarHBondContact O-N 3.45Å; H774-G777 PolarHBondContact O-N 2.86Å
775	L	28.3	Very low	29.3	Very low	151 Å²	151	151.9 Å²	151.9	79%	0.791	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-75.1	3.1	175.6	-79.7	164.5	0	0	0	114.3	D773	D773-L775 VanDerWaalsContact C-N 3.28Å; D773-L775 PolarHBondContact O-N 2.96Å
776	S	27.2	Very low	29.6	Very low	100 Å²	100	150.2 Å²	150.2	70%	0.699	75%	0.749	S	S	*	*	G	3₁₀ helix	trans	-90.2	1.8	168.8	59.6	0	0	0	0	113.8	D773 H774 V778	D773-S776 PolarHBondContact O-OG 2.97Å; D773-S776 VanDerWaalsContact O-OG 3.08Å; H774-S776 PolarHBondContact O-N 3.45Å; S776-V778 PolarHBondContact O-N 3.38Å
777	G	29.2	Very low	30.2	Very low	52 Å²	52	147.5 Å²	147.5	54%	0.536	73%	0.732	S	S	.	*			trans	-72.7	105.3	178	0	0	0	0	0	113.2	H774 R779	H774-G777 PolarHBondContact O-N 2.86Å; G777-R779 PolarHBondContact O-N 2.98Å
778	V	29.9	Very low	31.1	Very low	132 Å²	132	146.8 Å²	146.8	80%	0.8	73%	0.725	S	S	*	*			trans	-56.3	109.3	174.2	175	0	0	0	0	110.2	S776 Q780	S776-V778 PolarHBondContact O-N 3.38Å; V778-Q780 VanDerWaalsContact C-N 3.33Å; V778-Q780 PolarHBondContact O-N 2.99Å
779	R	28.1	Very low	32.2	Very low	232 Å²	232	146.6 Å²	146.6	88%	0.875	71%	0.713	S	S	*	*			trans	-68.1	88.4	176.8	-168.3	-179.3	-164.4	177.8	6.6	109.7	G777 T781	G777-R779 PolarHBondContact O-N 2.98Å; R779-T781 PolarHBondContact O-N 2.98Å
780	Q	28	Very low	33.5	Very low	177 Å²	177	147.5 Å²	147.5	83%	0.827	71%	0.711	S	S	*	*			trans	-56.2	109.3	171.3	-72.9	-172.2	-5.7	0	0	108.9	V778	V778-Q780 VanDerWaalsContact C-N 3.33Å; V778-Q780 PolarHBondContact O-N 2.99Å
781	T	28.9	Very low	35	Very low	114 Å²	114	149.6 Å²	149.6	70%	0.699	71%	0.713	S	S	*	*			trans	-62.7	141.8	168.2	45.2	0	0	0	0	108.5	R779 E783	R779-T781 PolarHBondContact O-N 2.98Å; T781-E783 PolarHBondContact O-N 3.4Å
782	P	30.8	Very low	36.7	Very low	125 Å²	125	145.3 Å²	145.3	81%	0.812	69%	0.692	S	S	*	*			trans	-65.7	105.5	178.2	26.3	-33.1	0	0	0	108.8	R784	P782-R784 PolarHBondContact O-N 2.93Å
783	E	31.1	Very low	38.6	Very low	157 Å²	157	141.6 Å²	141.6	73%	0.734	68%	0.676	S	S	*	*			trans	-56.7	112.9	-170.2	-157.8	-171.8	-151.4	0	0	110.6	T781 R785	T781-E783 PolarHBondContact O-N 3.4Å; E783-R785 PolarHBondContact O-N 3.45Å
784	R	30.5	Very low	40.5	Very low	213 Å²	213	138 Å²	138	80%	0.804	65%	0.654	S	S	*	*			trans	-51.8	132.8	173.3	-88.1	-178	168.9	178.7	-2.6	107.8	P782 Q786	P782-R784 PolarHBondContact O-N 2.93Å; R784-Q786 PolarHBondContact O-N 3.25Å
785	R	35.9	Very low	42.5	Very low	243 Å²	243	132 Å²	132	92%	0.917	63%	0.627	S	S	*	*	S	Bend	trans	-64.2	46.7	-168.5	-68	177.5	167.9	164.8	-3.6	116.6	E783 V787	E783-R785 PolarHBondContact O-N 3.45Å; R785-V787 VanDerWaalsContact C-N 3.31Å; R785-V787 PolarHBondContact O-N 3.28Å
786	Q	34.4	Very low	44.6	Very low	149 Å²	149	126.4 Å²	126.4	70%	0.696	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-24.1	178.4	-68.7	-170.7	-17.7	0	0	113.2	R784 R788 R789	R784-Q786 PolarHBondContact O-N 3.25Å; Q786-R788 VanDerWaalsContact C-N 3.25Å; Q786-R788 PolarHBondContact O-N 3.37Å; Q786-R788 VanDerWaalsContact O-N 3.13Å; Q786-R789 PolarHBondContact O-N 3.28Å
787	V	38.5	Very low	46.6	Very low	80 Å²	80	126.6 Å²	126.6	49%	0.485	59%	0.587	S	S	.	*	H	α-helix	trans	-58	-30.5	-174.8	-177.3	0	0	0	0	113.7	R785 R789 R790	R785-V787 VanDerWaalsContact C-N 3.31Å; R785-V787 PolarHBondContact O-N 3.28Å; V787-R789 VanDerWaalsContact C-N 3.26Å; V787-R789 PolarHBondContact O-N 3.29Å; V787-R790 PolarHBondContact O-N 2.87Å
788	R	48.6	Very low	48.8	Very low	136 Å²	136	125.6 Å²	125.6	51%	0.513	57%	0.571	S	S	.	*	H	α-helix	trans	-62.6	-30.2	-173.8	-153.6	178.5	-155.6	177.1	9.1	113.4	Q786	Q786-R788 VanDerWaalsContact C-N 3.25Å; Q786-R788 PolarHBondContact O-N 3.37Å; Q786-R788 VanDerWaalsContact O-N 3.13Å
789	R	48.6	Very low	50.7	Low	145 Å²	145	119.3 Å²	119.3	55%	0.547	53%	0.533	S	S	.	.	H	α-helix	trans	-80.6	-26	-173.4	-155	175.2	-171.2	-167.5	-1.3	113.8	T608 Q786 V787 T792 L793	T608-R789 PolarHBondContact OG1-NH1 3.34Å; T608-R789 PolarHBondContact OG1-NH2 2.87Å; Q786-R789 PolarHBondContact O-N 3.28Å; V787-R789 VanDerWaalsContact C-N 3.26Å; V787-R789 PolarHBondContact O-N 3.29Å; R789-T792 PolarHBondContact O-OG1 2.94Å; R789-T792 VanDerWaalsContact O-OG1 3.11Å; R789-L793 PolarHBondContact O-N 3.38Å
790	R	55.8	Low	52.7	Low	211 Å²	211	112.5 Å²	112.5	80%	0.796	51%	0.509	S	S	*	.	H	α-helix	trans	-70.3	-32	174.7	-68.1	-174.6	179.6	178.2	1.7	111.9	V787 K794	V787-R790 PolarHBondContact O-N 2.87Å; R790-K794 PolarHBondContact O-N 2.77Å
791	R	60.9	Low	54.8	Low	135 Å²	135	110 Å²	110	51%	0.509	50%	0.498	S	S	.	.	H	α-helix	trans	-67.9	-50.1	175.7	-77.7	-170.9	175.5	-168.7	-3.9	112.8	D459 L793 K794 N795	D459-R791 IonicContact OD2-NH1 2.62Å; R791-L793 VanDerWaalsContact C-N 3.26Å; R791-L793 PolarHBondContact O-N 3.43Å; R791-K794 PolarHBondContact O-N 3.33Å; R791-N795 WeakPolarHBondContact O-CB 3.27Å; R791-N795 PolarHBondContact O-N 3.08Å; R791-N795 PolarHBondContact O-OD1 2.69Å
792	T	66.3	Low	56.8	Low	38 Å²	38	110.3 Å²	110.3	23%	0.233	49%	0.486	C	S	.	.	H	α-helix	trans	-57.9	-40	176.9	31.9	0	0	0	0	111.8	E541 F545 R789 N795 L796	E541-T792 WeakPolarHBondContact OE1-CG2 3.3Å; E541-T792 WeakPolarHBondContact OE2-CG2 3.48Å; F545-T792 HydrophobicContact CZ-CG2 4.38Å; R789-T792 PolarHBondContact O-OG1 2.94Å; R789-T792 VanDerWaalsContact O-OG1 3.11Å; T792-N795 PolarHBondContact O-N 3.41Å; T792-L796 WeakPolarHBondContact O-CB 3.49Å; T792-L796 PolarHBondContact O-N 3.09Å
793	L	66.8	Low	58.5	Low	78 Å²	78	105 Å²	105	41%	0.408	45%	0.451	S	S	.	.	H	α-helix	trans	-68.1	-43.9	177.7	-165.2	146.3	0	0	0	112.3	R789 R791 N795 L796 E797	R789-L793 PolarHBondContact O-N 3.38Å; R791-L793 VanDerWaalsContact C-N 3.26Å; R791-L793 PolarHBondContact O-N 3.43Å; L793-N795 VanDerWaalsContact C-N 3.3Å; L793-N795 PolarHBondContact O-N 3.46Å; L793-L796 PolarHBondContact O-N 3.31Å; L793-E797 HydrophobicContact CD2-CG 4.17Å; L793-E797 WeakPolarHBondContact O-CG 3.43Å; L793-E797 PolarHBondContact O-N 3.2Å
794	K	71	Confident	60.2	Low	74 Å²	74	101.1 Å²	101.1	32%	0.322	44%	0.435	S	S	.	.	H	α-helix	trans	-59.8	-41	172.2	-167.7	-170.2	-179.1	-169.6	0	111.5	R790 R791 E797 T798 V891	R790-K794 PolarHBondContact O-N 2.77Å; R791-K794 PolarHBondContact O-N 3.33Å; K794-E797 PolarHBondContact O-N 3.3Å; K794-T798 WeakPolarHBondContact O-CB 3.11Å; K794-T798 PolarHBondContact O-N 3.05Å; K794-T798 PolarHBondContact O-OG1 2.96Å; K794-V891 PolarHBondContact NZ-O 3.17Å
795	N	74.1	Confident	61.9	Low	31 Å²	31	92.3 Å²	92.3	17%	0.166	41%	0.408	C	S	.	.	H	α-helix	trans	-65.2	-41.9	179.5	-70.1	-8.4	0	0	0	111.5	E541 T542 F545 R791 T792 L793 T798 A799	E541-N795 PolarHBondContact OE2-ND2 3.38Å; T542-N795 HydrophobicContact CG2-CB 3.89Å; F545-N795 HydrophobicContact CD2-CB 3.84Å; F545-N795 HydrophobicContact CE2-CB 3.9Å; R791-N795 WeakPolarHBondContact O-CB 3.27Å; R791-N795 PolarHBondContact O-N 3.08Å; R791-N795 PolarHBondContact O-OD1 2.69Å; T792-N795 PolarHBondContact O-N 3.41Å; L793-N795 VanDerWaalsContact C-N 3.3Å; L793-N795 PolarHBondContact O-N 3.46Å; N795-T798 PolarHBondContact O-N 3.45Å; N795-A799 WeakPolarHBondContact O-CB 3.25Å; N795-A799 PolarHBondContact O-N 3.04Å
796	L	71.1	Confident	63.2	Low	32 Å²	32	83.1 Å²	83.1	17%	0.168	38%	0.384	C	S	.	.	H	α-helix	trans	-63.9	-43.5	174.6	-177.6	73.6	0	0	0	112.4	F545 W549 W606 T792 L793 K800	F545-L796 HydrophobicContact CB-CD1 4.39Å; F545-L796 HydrophobicContact CD1-CB 4.31Å; F545-L796 HydrophobicContact CD1-CD1 3.39Å; F545-L796 HydrophobicContact CD1-CG 4.46Å; F545-L796 HydrophobicContact CD2-CB 4.36Å; F545-L796 HydrophobicContact CE1-CB 4.37Å; F545-L796 HydrophobicContact CE1-CD1 3.78Å; F545-L796 HydrophobicContact CE2-CB 4.37Å; F545-L796 HydrophobicContact CG-CB 4.34Å; F545-L796 HydrophobicContact CG-CD1 3.98Å; F545-L796 HydrophobicContact CZ-CB 4.4Å; W549-L796 HydrophobicContact CZ2-CD1 4.09Å; W549-L796 HydrophobicContact CZ2-CG 4.29Å; W549-L796 VanDerWaalsContact NE1-CD1 3.33Å; W549-L796 PolarHBondContact NE1-O 3.45Å; W606-L796 HydrophobicContact CZ2-CD2 4.31Å; T792-L796 WeakPolarHBondContact O-CB 3.49Å; T792-L796 PolarHBondContact O-N 3.09Å; L793-L796 PolarHBondContact O-N 3.31Å; L796-K800 WeakPolarHBondContact O-CB 3.48Å; L796-K800 PolarHBondContact O-N 3.23Å
797	E	71.2	Confident	64.4	Low	104 Å²	104	79 Å²	79	49%	0.486	37%	0.365	S	S	.	.	H	α-helix	trans	-66	-42.6	176.4	-72.9	-179.8	151.9	0	0	111.8	L793 K794 K800 H801	L793-E797 HydrophobicContact CD2-CG 4.17Å; L793-E797 WeakPolarHBondContact O-CG 3.43Å; L793-E797 PolarHBondContact O-N 3.2Å; K794-E797 PolarHBondContact O-N 3.3Å; E797-K800 WeakPolarHBondContact O-CB 3.35Å; E797-K800 PolarHBondContact O-N 3.27Å; E797-H801 PolarHBondContact O-N 3.36Å
798	T	73.5	Confident	65.4	Low	31 Å²	31	79.1 Å²	79.1	19%	0.19	36%	0.362	C	S	.	.	H	α-helix	trans	-62.6	-45.8	177.1	-54.9	0	0	0	0	111.1	K794 N795 H801 R802	K794-T798 WeakPolarHBondContact O-CB 3.11Å; K794-T798 PolarHBondContact O-N 3.05Å; K794-T798 PolarHBondContact O-OG1 2.96Å; N795-T798 PolarHBondContact O-N 3.45Å; T798-H801 PolarHBondContact O-N 2.92Å; T798-R802 WeakPolarHBondContact O-CG 3.14Å; T798-R802 PolarHBondContact O-N 3.39Å
799	A	70.1	Confident	65.6	Low	0 Å²	0	74.7 Å²	74.7	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-62.7	-43.2	175	0	0	0	0	0	112.1	F545 E546 N795 H801 R802 V803	F545-A799 HydrophobicContact CB-CB 3.51Å; E546-A799 HydrophobicContact CB-CB 4.25Å; N795-A799 WeakPolarHBondContact O-CB 3.25Å; N795-A799 PolarHBondContact O-N 3.04Å; A799-H801 VanDerWaalsContact C-N 3.33Å; A799-H801 PolarHBondContact O-N 2.85Å; A799-R802 PolarHBondContact O-N 3.13Å; A799-V803 PolarHBondContact O-N 3.21Å
800	K	71.6	Confident	65.8	Low	89 Å²	89	69.3 Å²	69.3	39%	0.387	34%	0.335	S	S	.	.	H	α-helix	trans	-57.2	-46.2	174.8	-171.5	-176.6	179.1	-178.9	0	111.2	W549 L796 E797 V803 L804	W549-K800 HydrophobicContact CD2-CB 4.23Å; W549-K800 HydrophobicContact CD2-CG 4.21Å; W549-K800 HydrophobicContact CE3-CG 4.42Å; W549-K800 HydrophobicContact CH2-CD 3.88Å; W549-K800 HydrophobicContact CH2-CG 4.16Å; W549-K800 HydrophobicContact CZ2-CB 3.94Å; W549-K800 HydrophobicContact CZ2-CD 3.81Å; W549-K800 HydrophobicContact CZ2-CG 3.89Å; W549-K800 HydrophobicContact CZ3-CD 4.44Å; W549-K800 HydrophobicContact CZ3-CG 4.4Å; L796-K800 WeakPolarHBondContact O-CB 3.48Å; L796-K800 PolarHBondContact O-N 3.23Å; E797-K800 WeakPolarHBondContact O-CB 3.35Å; E797-K800 PolarHBondContact O-N 3.27Å; K800-V803 PolarHBondContact O-N 3.18Å; K800-L804 WeakPolarHBondContact O-CB 3.31Å; K800-L804 PolarHBondContact O-N 3.19Å
801	H	70.3	Confident	65.6	Low	125 Å²	125	64.4 Å²	64.4	58%	0.579	32%	0.317	S	S	*	.	H	α-helix	trans	-65.7	-37	179.8	-71.6	2.5	0	0	0	112.6	E797 T798 A799 A805	E797-H801 PolarHBondContact O-N 3.36Å; T798-H801 PolarHBondContact O-N 2.92Å; A799-H801 VanDerWaalsContact C-N 3.33Å; A799-H801 PolarHBondContact O-N 2.85Å; H801-A805 WeakPolarHBondContact O-CB 3.38Å; H801-A805 PolarHBondContact O-N 3.02Å
802	R	71.2	Confident	65.1	Low	120 Å²	120	61.7 Å²	61.7	45%	0.453	31%	0.311	S	S	.	.	H	α-helix	trans	-63.1	-48.9	173.3	-71.4	176.9	-176.1	164.6	3.1	112.4	T542 E546 T798 A799 A805 A806	T542-R802 PolarHBondContact OG1-NH1 2.98Å; E546-R802 WeakPolarHBondContact OE2-CD 3.34Å; E546-R802 IonicContact OE2-CZ 3.84Å; E546-R802 IonicContact OE2-NE 3.59Å; E546-R802 IonicContact OE2-NH1 3.63Å; E546-R802 PolarHBondContact OE2-NH1 3.46Å; T798-R802 WeakPolarHBondContact O-CG 3.14Å; T798-R802 PolarHBondContact O-N 3.39Å; A799-R802 PolarHBondContact O-N 3.13Å; R802-A805 PolarHBondContact O-N 2.83Å; R802-A806 WeakPolarHBondContact O-CB 3.33Å; R802-A806 PolarHBondContact O-N 3.37Å
803	V	66.2	Low	64.2	Low	14 Å²	14	63.4 Å²	63.4	9%	0.085	32%	0.321	C	S	.	.	H	α-helix	trans	-64.6	-42.6	179.4	176	0	0	0	0	111.3	E546 W549 R550 V553 A799 K800 A806 E807	E546-V803 HydrophobicContact CG-CG2 3.74Å; W549-V803 HydrophobicContact CB-CB 4.18Å; W549-V803 HydrophobicContact CB-CG1 4.32Å; W549-V803 HydrophobicContact CB-CG2 3.8Å; R550-V803 HydrophobicContact CG-CG1 4.48Å; R550-V803 HydrophobicContact CG-CG2 4.06Å; V553-V803 HydrophobicContact CG2-CG1 4.3Å; A799-V803 PolarHBondContact O-N 3.21Å; K800-V803 PolarHBondContact O-N 3.18Å; V803-A806 WeakPolarHBondContact O-CB 3.39Å; V803-A806 PolarHBondContact O-N 3.23Å; V803-E807 PolarHBondContact O-N 2.88Å
804	L	67.3	Low	63.2	Low	76 Å²	76	63.8 Å²	63.8	40%	0.398	32%	0.323	S	S	.	.	H	α-helix	trans	-69.9	-35.3	-180	-157.2	158	0	0	0	111.8	K800 E807 L808	K800-L804 WeakPolarHBondContact O-CB 3.31Å; K800-L804 PolarHBondContact O-N 3.19Å; L804-E807 PolarHBondContact O-N 3.42Å; L804-L808 HydrophobicContact CD2-CD1 3.6Å; L804-L808 HydrophobicContact CD2-CG 3.99Å; L804-L808 WeakPolarHBondContact O-CB 3.48Å; L804-L808 WeakPolarHBondContact O-CG 3.22Å; L804-L808 PolarHBondContact O-N 3.1Å
805	A	66.9	Low	61.9	Low	27 Å²	27	65.1 Å²	65.1	22%	0.223	33%	0.33	C	S	.	.	H	α-helix	trans	-66.2	-36.5	170.8	0	0	0	0	0	112.5	H801 R802 A809 T887	H801-A805 WeakPolarHBondContact O-CB 3.38Å; H801-A805 PolarHBondContact O-N 3.02Å; R802-A805 PolarHBondContact O-N 2.83Å; A805-A809 VanDerWaalsContact O-CB 3.32Å; A805-A809 WeakPolarHBondContact O-CB 3.17Å; A805-A809 PolarHBondContact O-N 3.41Å; A805-T887 HydrophobicContact CB-CG2 4.36Å
806	A	62	Low	60.4	Low	50 Å²	50	71.2 Å²	71.2	41%	0.413	35%	0.351	S	S	.	.	H	α-helix	trans	-67.7	-41.6	173.3	0	0	0	0	0	112.1	R802 V803 A809 H810	R802-A806 WeakPolarHBondContact O-CB 3.33Å; R802-A806 PolarHBondContact O-N 3.37Å; V803-A806 WeakPolarHBondContact O-CB 3.39Å; V803-A806 PolarHBondContact O-N 3.23Å; A806-A809 PolarHBondContact O-N 2.84Å; A806-H810 PolarHBondContact O-N 3.29Å
807	E	59.6	Low	58.8	Low	64 Å²	64	71.1 Å²	71.1	30%	0.299	35%	0.352	S	S	.	.	H	α-helix	trans	-63.8	-45.7	174.5	-164.4	-157.3	141.2	0	0	111.4	V803 L804 A809 H810 R811	V803-E807 PolarHBondContact O-N 2.88Å; L804-E807 PolarHBondContact O-N 3.42Å; E807-A809 VanDerWaalsContact C-N 3.34Å; E807-A809 PolarHBondContact O-N 3.32Å; E807-H810 CarbonylContact O-C 3.57Å; E807-H810 PolarHBondContact O-N 3.44Å; E807-H810 VanDerWaalsContact O-N 3.08Å; E807-R811 PolarHBondContact O-N 2.81Å; E807-R811 IonicContact OE1-NE 2.59Å; E807-R811 PolarHBondContact OE1-NE 2.78Å; E807-R811 VanDerWaalsContact OE1-NE 3.12Å
808	L	60	Low	57	Low	81 Å²	81	70.6 Å²	70.6	42%	0.424	36%	0.359	S	S	.	.	H	α-helix	trans	-61.8	-40.6	175.7	-77.8	174.4	0	0	0	111.9	L804 H810 R811 M812	L804-L808 HydrophobicContact CD2-CD1 3.6Å; L804-L808 HydrophobicContact CD2-CG 3.99Å; L804-L808 WeakPolarHBondContact O-CB 3.48Å; L804-L808 WeakPolarHBondContact O-CG 3.22Å; L804-L808 PolarHBondContact O-N 3.1Å; L808-H810 VanDerWaalsContact C-N 3.29Å; L808-H810 PolarHBondContact O-N 3.2Å; L808-R811 PolarHBondContact O-N 3.33Å; L808-M812 VanDerWaalsContact O-CB 3.23Å; L808-M812 WeakPolarHBondContact O-CB 3.21Å; L808-M812 VanDerWaalsContact O-CG 3.3Å; L808-M812 WeakPolarHBondContact O-CG 3.43Å; L808-M812 PolarHBondContact O-N 3.35Å
809	A	52.3	Low	55.1	Low	43 Å²	43	72.4 Å²	72.4	36%	0.355	39%	0.385	S	S	.	.	H	α-helix	trans	-61.6	-38	173	0	0	0	0	0	111.8	A805 A806 E807 V813	A805-A809 VanDerWaalsContact O-CB 3.32Å; A805-A809 WeakPolarHBondContact O-CB 3.17Å; A805-A809 PolarHBondContact O-N 3.41Å; A806-A809 PolarHBondContact O-N 2.84Å; E807-A809 VanDerWaalsContact C-N 3.34Å; E807-A809 PolarHBondContact O-N 3.32Å; A809-V813 WeakPolarHBondContact O-CG2 3.31Å; A809-V813 PolarHBondContact O-N 2.79Å; A809-V813 VanDerWaalsContact O-N 3.15Å
810	H	53.2	Low	53.2	Low	32 Å²	32	75.3 Å²	75.3	15%	0.148	41%	0.409	C	S	.	.	H	α-helix	trans	-71.6	-41.3	177	-160.1	-93.8	0	0	0	112.6	A806 E807 L808 V813 I814	A806-H810 PolarHBondContact O-N 3.29Å; E807-H810 CarbonylContact O-C 3.57Å; E807-H810 PolarHBondContact O-N 3.44Å; E807-H810 VanDerWaalsContact O-N 3.08Å; L808-H810 VanDerWaalsContact C-N 3.29Å; L808-H810 PolarHBondContact O-N 3.2Å; H810-V813 WeakPolarHBondContact O-CB 3.27Å; H810-V813 PolarHBondContact O-N 3.06Å; H810-I814 WeakPolarHBondContact ND1-CD1 2.98Å; H810-I814 WeakPolarHBondContact O-CG1 3.33Å; H810-I814 PolarHBondContact O-N 2.82Å
811	R	51	Low	51	Low	108 Å²	108	75.1 Å²	75.1	41%	0.408	42%	0.418	S	S	.	.	H	α-helix	trans	-60.2	-47.4	170.9	-82.5	178.6	167.8	-92.9	5.5	111.8	E807 L808 V813 I814 E815	E807-R811 PolarHBondContact O-N 2.81Å; E807-R811 IonicContact OE1-NE 2.59Å; E807-R811 PolarHBondContact OE1-NE 2.78Å; E807-R811 VanDerWaalsContact OE1-NE 3.12Å; L808-R811 PolarHBondContact O-N 3.33Å; R811-V813 PolarHBondContact O-N 3.34Å; R811-V813 VanDerWaalsContact O-N 3.16Å; R811-I814 CarbonylContact O-C 3.56Å; R811-I814 PolarHBondContact O-N 3.14Å; R811-E815 IonicContact NH1-OE1 3.86Å; R811-E815 PolarHBondContact NH1-OE1 3.38Å; R811-E815 WeakPolarHBondContact O-CB 3.27Å; R811-E815 WeakPolarHBondContact O-CG 3.41Å; R811-E815 PolarHBondContact O-N 2.98Å
812	M	50.6	Low	49	Very low	78 Å²	78	75.5 Å²	75.5	38%	0.384	43%	0.432	S	S	.	.	H	α-helix	trans	-64.3	-16.6	176.1	-78.5	-169.3	176.9	0	0	114	L808 R816 T883	L808-M812 VanDerWaalsContact O-CB 3.23Å; L808-M812 WeakPolarHBondContact O-CB 3.21Å; L808-M812 VanDerWaalsContact O-CG 3.3Å; L808-M812 WeakPolarHBondContact O-CG 3.43Å; L808-M812 PolarHBondContact O-N 3.35Å; M812-R816 WeakPolarHBondContact O-CD 3.37Å; M812-R816 WeakPolarHBondContact O-CG 3.31Å; M812-R816 PolarHBondContact O-NH1 3.39Å; M812-T883 HydrophobicContact SD-CG2 3.89Å
813	V	48.2	Very low	46.8	Very low	75 Å²	75	74.1 Å²	74.1	46%	0.455	44%	0.441	S	S	.	.	H	α-helix	trans	-78.8	-55.8	163.9	169.7	0	0	0	0	109.3	A809 H810 R811 E815 R816 T817	A809-V813 WeakPolarHBondContact O-CG2 3.31Å; A809-V813 PolarHBondContact O-N 2.79Å; A809-V813 VanDerWaalsContact O-N 3.15Å; H810-V813 WeakPolarHBondContact O-CB 3.27Å; H810-V813 PolarHBondContact O-N 3.06Å; R811-V813 PolarHBondContact O-N 3.34Å; R811-V813 VanDerWaalsContact O-N 3.16Å; V813-E815 PolarHBondContact O-N 2.7Å; V813-R816 WeakPolarHBondContact O-CB 3.27Å; V813-R816 PolarHBondContact O-N 3.07Å; V813-T817 VanDerWaalsContact O-CG2 3.3Å; V813-T817 WeakPolarHBondContact O-CG2 3.27Å; V813-T817 PolarHBondContact O-N 3.12Å
814	I	46.1	Very low	45	Very low	85 Å²	85	78 Å²	78	44%	0.436	47%	0.474	S	S	.	.	H	α-helix	trans	-56.9	-46.3	-177.5	-65.5	165.8	0	0	0	113	H810 R811 R816 T817 S818	H810-I814 WeakPolarHBondContact ND1-CD1 2.98Å; H810-I814 WeakPolarHBondContact O-CG1 3.33Å; H810-I814 PolarHBondContact O-N 2.82Å; R811-I814 CarbonylContact O-C 3.56Å; R811-I814 PolarHBondContact O-N 3.14Å; I814-R816 VanDerWaalsContact C-N 3.28Å; I814-R816 PolarHBondContact O-N 2.77Å; I814-T817 WeakPolarHBondContact O-CA 3.4Å; I814-T817 WeakPolarHBondContact O-CB 3.18Å; I814-T817 PolarHBondContact O-N 2.91Å; I814-T817 PolarHBondContact O-OG1 2.99Å; I814-S818 PolarHBondContact O-N 2.99Å; I814-S818 VanDerWaalsContact O-N 3.13Å
815	E	43.5	Very low	42.9	Very low	102 Å²	102	85.6 Å²	85.6	48%	0.477	50%	0.499	S	S	.	.	H	α-helix	trans	-68.8	-29.3	-175.2	-70.5	161.6	-167.2	0	0	111.4	R811 V813 T817 S818	R811-E815 IonicContact NH1-OE1 3.86Å; R811-E815 PolarHBondContact NH1-OE1 3.38Å; R811-E815 WeakPolarHBondContact O-CB 3.27Å; R811-E815 WeakPolarHBondContact O-CG 3.41Å; R811-E815 PolarHBondContact O-N 2.98Å; V813-E815 PolarHBondContact O-N 2.7Å; E815-T817 PolarHBondContact O-N 2.91Å; E815-S818 WeakPolarHBondContact CA-OG 3.46Å; E815-S818 PolarHBondContact O-OG 3.22Å; E815-S818 VanDerWaalsContact O-OG 3.07Å
816	R	42.7	Very low	41.1	Very low	160 Å²	160	93.7 Å²	93.7	60%	0.604	53%	0.529	S	S	*	.	H	α-helix	trans	-69.4	-16.5	166.8	-75.3	-176	177.1	93.9	-3.5	113.5	M812 V813 I814	M812-R816 WeakPolarHBondContact O-CD 3.37Å; M812-R816 WeakPolarHBondContact O-CG 3.31Å; M812-R816 PolarHBondContact O-NH1 3.39Å; V813-R816 WeakPolarHBondContact O-CB 3.27Å; V813-R816 PolarHBondContact O-N 3.07Å; I814-R816 VanDerWaalsContact C-N 3.28Å; I814-R816 PolarHBondContact O-N 2.77Å
817	T	37	Very low	39.5	Very low	30 Å²	30	97.7 Å²	97.7	18%	0.184	55%	0.548	C	S	.	.	H	α-helix	trans	-89.9	-35.1	176.3	77	0	0	0	0	113.2	P107 V813 I814 E815 G819 A820	P107-T817 HydrophobicContact CB-CG2 4.07Å; V813-T817 VanDerWaalsContact O-CG2 3.3Å; V813-T817 WeakPolarHBondContact O-CG2 3.27Å; V813-T817 PolarHBondContact O-N 3.12Å; I814-T817 WeakPolarHBondContact O-CA 3.4Å; I814-T817 WeakPolarHBondContact O-CB 3.18Å; I814-T817 PolarHBondContact O-N 2.91Å; I814-T817 PolarHBondContact O-OG1 2.99Å; E815-T817 PolarHBondContact O-N 2.91Å; T817-G819 PolarHBondContact O-N 3.39Å; T817-A820 PolarHBondContact O-N 2.95Å
818	S	34.1	Very low	38	Very low	92 Å²	92	102.2 Å²	102.2	64%	0.643	58%	0.575	S	S	*	*	H	α-helix	trans	-69.7	-18.2	177.5	43.8	0	0	0	0	114.1	I814 E815 A820	I814-S818 PolarHBondContact O-N 2.99Å; I814-S818 VanDerWaalsContact O-N 3.13Å; E815-S818 WeakPolarHBondContact CA-OG 3.46Å; E815-S818 PolarHBondContact O-OG 3.22Å; E815-S818 VanDerWaalsContact O-OG 3.07Å; S818-A820 PolarHBondContact O-N 3.45Å
819	G	33.9	Very low	36.4	Very low	70 Å²	70	102.1 Å²	102.1	72%	0.722	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	-8.4	172.6	0	0	0	0	0	114.9	T817 S821	T817-G819 PolarHBondContact O-N 3.39Å; G819-S821 PolarHBondContact O-N 3.25Å
820	A	28.4	Very low	35.3	Very low	61 Å²	61	107.1 Å²	107.1	50%	0.504	61%	0.606	S	S	.	*			trans	-101.2	64.1	-175.8	0	0	0	0	0	112.3	T817 S818	T817-A820 PolarHBondContact O-N 2.95Å; S818-A820 PolarHBondContact O-N 3.45Å
821	S	25.7	Very low	34.2	Very low	85 Å²	85	111.4 Å²	111.4	59%	0.594	63%	0.629	S	S	*	*			trans	-72.6	125.3	170.9	-177.3	0	0	0	0	110.8	G819 S823	G819-S821 PolarHBondContact O-N 3.25Å; S821-S823 PolarHBondContact O-N 2.96Å; S821-S823 WeakPolarHBondContact OG-CB 3.49Å; S821-S823 PolarHBondContact OG-OG 3.4Å
822	P	28.3	Very low	33	Very low	132 Å²	132	111.8 Å²	111.8	86%	0.857	65%	0.648	S	S	*	*			trans	-80	65.7	177.2	34.3	-35.5	0	0	0	111
823	S	25.1	Very low	32	Very low	92 Å²	92	115.2 Å²	115.2	64%	0.643	67%	0.668	S	S	*	*			trans	-139.7	50.5	-168.2	63.2	0	0	0	0	114.1	S821	S821-S823 PolarHBondContact O-N 2.96Å; S821-S823 WeakPolarHBondContact OG-CB 3.49Å; S821-S823 PolarHBondContact OG-OG 3.4Å
824	A	28.8	Very low	31.1	Very low	94 Å²	94	119 Å²	119	78%	0.777	69%	0.685	S	S	*	*			trans	-158	27.9	168.2	0	0	0	0	0	114.7	F826	A824-F826 PolarHBondContact O-N 3.04Å
825	Y	24	Very low	30.2	Very low	236 Å²	236	121 Å²	121	93%	0.925	70%	0.696	S	S	*	*			trans	-94.4	76.4	165.1	-82.7	-73	0	0	0	109.8
826	F	28.9	Very low	29.5	Very low	197 Å²	197	124 Å²	124	86%	0.864	72%	0.716	S	S	*	*			trans	-113.4	130.3	157.7	-113.5	-90	0	0	0	108.9	A824 D828	A824-F826 PolarHBondContact O-N 3.04Å; F826-D828 PolarHBondContact O-N 2.99Å
827	V	27.9	Very low	28.8	Very low	134 Å²	134	123.3 Å²	123.3	81%	0.812	72%	0.724	S	S	*	*			trans	-77	118	169.9	174	0	0	0	0	107
828	D	28.4	Very low	28.4	Very low	160 Å²	160	128.7 Å²	128.7	86%	0.856	75%	0.752	S	S	*	*			trans	-136.1	119	150.3	-104.6	-43.8	0	0	0	108.7	F826	F826-D828 PolarHBondContact O-N 2.99Å
829	A	26.1	Very low	28.1	Very low	78 Å²	78	132.1 Å²	132.1	65%	0.645	76%	0.758	S	S	*	*			trans	-97.4	113.6	172.8	0	0	0	0	0	108
830	N	28.6	Very low	27.9	Very low	148 Å²	148	137.6 Å²	137.6	79%	0.791	76%	0.762	S	S	*	*			trans	-166.6	135.7	142.7	-99.6	-39.4	0	0	0	114.6
831	I	30.5	Very low	27.7	Very low	123 Å²	123	144.8 Å²	144.8	63%	0.631	78%	0.778	S	S	*	*			trans	58	98.3	142	-56.5	165.5	0	0	0	117.1	N833	I831-N833 HydrophobicContact CG2-CB 4.46Å
832	S	26.7	Very low	27.9	Very low	115 Å²	115	148.4 Å²	148.4	80%	0.804	79%	0.785	S	S	*	*			trans	-58.7	135.3	148.2	51.3	0	0	0	0	111.5
833	N	28.7	Very low	27.9	Very low	150 Å²	150	149.2 Å²	149.2	80%	0.802	78%	0.777	S	S	*	*			trans	-147.2	97.7	168.2	-104.3	-26.8	0	0	0	112	I831	I831-N833 HydrophobicContact CG2-CB 4.46Å
834	L	29.1	Very low	28.1	Very low	156 Å²	156	151.4 Å²	151.4	82%	0.817	78%	0.781	S	S	*	*			trans	-169.2	115.4	164.8	-159.4	76.2	0	0	0	105.2
835	D	28.1	Very low	28.2	Very low	126 Å²	126	154.9 Å²	154.9	67%	0.674	78%	0.778	S	S	*	*			cis	-131.4	167.7	0.5	-77.1	-59.1	0	0	0	110.3
836	N	27.8	Very low	28.4	Very low	164 Å²	164	150.7 Å²	150.7	88%	0.877	77%	0.772	S	S	*	*				-175.1	144.3	122.8	-97.5	-40.5	0	0	0	113
837	N	28.4	Very low	28.4	Very low	147 Å²	147	146.5 Å²	146.5	79%	0.786	77%	0.767	S	S	*	*			trans	-88.3	151.9	167.8	-81.5	-45.5	0	0	0	111.2
838	N	28.9	Very low	28.4	Very low	142 Å²	142	147.5 Å²	147.5	76%	0.759	77%	0.767	S	S	*	*			trans	62	99.2	158.6	-64.1	-9.7	0	0	0	119.8
839	Q	28.5	Very low	28.3	Very low	165 Å²	165	146.4 Å²	146.4	77%	0.771	76%	0.76	S	S	*	*				73.1	130.7	118.8	-89	-175.9	-14.5	0	0	123.4
840	F	28.8	Very low	28.4	Very low	184 Å²	184	151.9 Å²	151.9	81%	0.807	77%	0.77	S	S	*	*			trans	85	158.9	150.1	-84.7	-72.6	0	0	0	121.9
841	Y	24.2	Very low	28.3	Very low	213 Å²	213	149.4 Å²	149.4	84%	0.835	76%	0.764	S	S	*	*			trans	-114.2	146.6	-156.7	-88.3	-109.4	0	0	0	113.3
842	H	30.4	Very low	28.3	Very low	161 Å²	161	149.3 Å²	149.3	75%	0.745	77%	0.77	S	S	*	*			trans	164.6	118.7	131.8	-100.5	-95.9	0	0	0	107.1
843	E	28.7	Very low	28.4	Very low	149 Å²	149	155.1 Å²	155.1	70%	0.696	77%	0.774	S	S	*	*				87.1	104.1	68	-171.7	-161.2	-143.4	0	0	114
844	L	29.3	Very low	28.8	Very low	138 Å²	138	153 Å²	153	72%	0.723	77%	0.768	S	S	*	*			trans	-172.5	125.5	133	-130.3	72.2	0	0	0	116
845	K	29.9	Very low	28.7	Very low	166 Å²	166	150.4 Å²	150.4	72%	0.722	76%	0.763	S	S	*	*			trans	43.8	123.4	138.9	-72.1	175.3	-175.6	171	0	124.4
846	N	28.1	Very low	28.9	Very low	149 Å²	149	151.8 Å²	151.8	80%	0.797	77%	0.771	S	S	*	*				56	147.1	115.4	-57.2	8.9	0	0	0	121.4
847	S	29.7	Very low	28.8	Very low	109 Å²	109	148.5 Å²	148.5	76%	0.762	77%	0.766	S	S	*	*			cis	-166.1	139.8	-0.5	43	0	0	0	0	114.8
848	L	28	Very low	29.1	Very low	154 Å²	154	148.4 Å²	148.4	81%	0.806	77%	0.771	S	S	*	*			trans	39.1	131.9	132.6	-122.7	77.9	0	0	0	125.4
849	L	26.5	Very low	29	Very low	137 Å²	137	150 Å²	150	72%	0.717	77%	0.774	S	S	*	*			trans	84.3	109.3	133.2	-123.5	74.7	0	0	0	124.6
850	F	28.5	Very low	29.1	Very low	193 Å²	193	150.2 Å²	150.2	85%	0.846	78%	0.78	S	S	*	*			trans	57.3	121	132.6	-89.6	-107.8	0	0	0	125.6
851	S	25.3	Very low	29	Very low	96 Å²	96	146.4 Å²	146.4	67%	0.671	78%	0.776	S	S	*	*				122.9	138.7	113.9	-160.5	0	0	0	0	121.5
852	T	30.9	Very low	29.5	Very low	122 Å²	122	141.5 Å²	141.5	75%	0.748	77%	0.771	S	S	*	*			trans	70.9	93.7	147.5	32.6	0	0	0	0	124.4
853	R	29.3	Very low	29.4	Very low	236 Å²	236	143.5 Å²	143.5	89%	0.891	78%	0.777	S	S	*	*				71.6	168.9	118	-111.2	-171.4	-177.3	173.2	1.8	119.8
854	P	37	Very low	29.3	Very low	105 Å²	105	144.6 Å²	144.6	68%	0.682	79%	0.787	S	S	*	*				-129.6	176.5	-108.7	44.3	-28.5	0	0	0	116.4
855	S	26.6	Very low	29.3	Very low	102 Å²	102	144.7 Å²	144.7	71%	0.713	79%	0.793	S	S	*	*				159.1	162.8	127.8	-85	0	0	0	0	114.8
856	D	31.7	Very low	29.2	Very low	155 Å²	155	141.9 Å²	141.9	83%	0.829	79%	0.793	S	S	*	*			trans	68.6	103.9	156.1	-56.4	-18.8	0	0	0	123.2
857	A	27	Very low	29.1	Very low	95 Å²	95	140.5 Å²	140.5	79%	0.785	79%	0.79	S	S	*	*			trans	25.6	128.3	137.3	0	0	0	0	0	122.7
858	V	33	Very low	29.1	Very low	145 Å²	145	143.5 Å²	143.5	88%	0.879	79%	0.792	S	S	*	*				-168.2	160.9	105.2	143.4	0	0	0	0	109.7
859	E	27.6	Very low	29.2	Very low	175 Å²	175	140.6 Å²	140.6	82%	0.818	79%	0.785	S	S	*	*			trans	-65.1	141.1	-175.2	-62.1	171.7	99.4	0	0	114.7
860	N	30.7	Very low	29.5	Very low	170 Å²	170	137.6 Å²	137.6	91%	0.909	78%	0.775	S	S	*	*				-168.2	157.2	126.3	-101.8	-61.4	0	0	0	111.3
861	S	26.9	Very low	29.7	Very low	104 Å²	104	131.2 Å²	131.2	73%	0.727	76%	0.758	S	S	*	*			trans	-130.8	-177.2	-178.6	75.6	0	0	0	0	110.2
862	P	33.6	Very low	30.1	Very low	110 Å²	110	132 Å²	132	71%	0.714	76%	0.755	S	S	*	*			cis	-133.3	152	-13.2	37.4	-21.4	0	0	0	114.9
863	K	30.1	Very low	30.4	Very low	204 Å²	204	132.8 Å²	132.8	89%	0.887	75%	0.75	S	S	*	*			trans	-147	116.6	152.1	-65.8	-173.1	-178.4	174.8	0	107.2
864	L	24.9	Very low	30.5	Very low	172 Å²	172	129 Å²	129	90%	0.901	74%	0.74	S	S	*	*				72.8	79	53.2	-160.6	86	0	0	0	113.4
865	T	30.3	Very low	30.5	Very low	139 Å²	139	132.9 Å²	132.9	85%	0.853	74%	0.741	S	S	*	*			trans	-122.6	126.5	164.2	47.3	0	0	0	0	110.5
866	C	28.7	Very low	31.1	Very low	107 Å²	107	133.4 Å²	133.4	72%	0.723	74%	0.735	S	S	*	*			trans	-40.7	136.4	-167	-161.1	0	0	0	0	118
867	V	25.8	Very low	31.3	Very low	120 Å²	120	128.6 Å²	128.6	73%	0.727	72%	0.716	S	S	*	*			trans	-83.2	115.6	157.7	172.7	0	0	0	0	108.6
868	Q	28.2	Very low	31.6	Very low	173 Å²	173	129.3 Å²	129.3	81%	0.808	70%	0.702	S	S	*	*			trans	-137.6	39.5	177.6	-152.6	166.8	0.2	0	0	113.8
869	S	30.1	Very low	31.9	Very low	93 Å²	93	124.4 Å²	124.4	65%	0.65	68%	0.677	S	S	*	*	S	Bend	trans	-116.8	-33.8	176.2	-163.7	0	0	0	0	114.3	A871	S869-A871 PolarHBondContact O-N 3.39Å
870	S	32.7	Very low	32.4	Very low	73 Å²	73	120.1 Å²	120.1	51%	0.51	66%	0.662	S	S	.	*	H	α-helix	trans	-76.9	-18.8	-170.4	51.3	0	0	0	0	115.3	N872 F874	S870-N872 PolarHBondContact O-N 2.97Å; S870-F874 PolarHBondContact O-N 2.9Å
871	A	33.5	Very low	32.8	Very low	59 Å²	59	116.2 Å²	116.2	49%	0.488	65%	0.645	S	S	.	*	H	α-helix	trans	-69.2	-29.6	-174.5	0	0	0	0	0	113.9	S869 R875	S869-A871 PolarHBondContact O-N 3.39Å; A871-R875 WeakPolarHBondContact O-CG 3.46Å; A871-R875 PolarHBondContact O-N 2.83Å
872	N	33.5	Very low	33.3	Very low	113 Å²	113	115.9 Å²	115.9	60%	0.604	63%	0.632	S	S	*	*	H	α-helix	trans	-80.8	-42.9	-178.4	-75.7	-13.2	0	0	0	111.9	S870 F874 R875 I876	S870-N872 PolarHBondContact O-N 2.97Å; N872-F874 VanDerWaalsContact C-N 3.32Å; N872-F874 PolarHBondContact O-N 3Å; N872-R875 PolarHBondContact O-N 3.47Å; N872-I876 WeakPolarHBondContact O-CG1 3.05Å; N872-I876 PolarHBondContact O-N 3.46Å
873	E	36.7	Very low	33.5	Very low	139 Å²	139	113.1 Å²	113.1	65%	0.65	61%	0.613	S	S	*	*	H	α-helix	trans	-60.6	-42.4	175.4	-62.6	-176.4	134.5	0	0	111.4	R875 I876 A877	E873-R875 VanDerWaalsContact C-N 3.32Å; E873-R875 PolarHBondContact O-N 2.93Å; E873-I876 PolarHBondContact O-N 3.41Å; E873-A877 PolarHBondContact O-N 2.97Å
874	F	32.3	Very low	33.7	Very low	156 Å²	156	104.2 Å²	104.2	68%	0.684	58%	0.577	S	S	*	*	H	α-helix	trans	-66.2	-33.2	177.3	-149.6	-89.6	0	0	0	112.7	S870 N872 K878	S870-F874 PolarHBondContact O-N 2.9Å; N872-F874 VanDerWaalsContact C-N 3.32Å; N872-F874 PolarHBondContact O-N 3Å; F874-K878 WeakPolarHBondContact O-CB 3.43Å; F874-K878 PolarHBondContact O-N 2.84Å
875	R	36.1	Very low	34.1	Very low	187 Å²	187	98.9 Å²	98.9	71%	0.706	56%	0.558	S	S	*	*	H	α-helix	trans	-69.5	-37.2	172	-79.1	177.6	174.1	-169	-1.6	112.4	A871 N872 E873 K878 A879	A871-R875 WeakPolarHBondContact O-CG 3.46Å; A871-R875 PolarHBondContact O-N 2.83Å; N872-R875 PolarHBondContact O-N 3.47Å; E873-R875 VanDerWaalsContact C-N 3.32Å; E873-R875 PolarHBondContact O-N 2.93Å; R875-K878 PolarHBondContact O-N 3.13Å; R875-A879 WeakPolarHBondContact O-CB 3.37Å; R875-A879 PolarHBondContact O-N 2.99Å
876	I	39.6	Very low	34.4	Very low	112 Å²	112	99 Å²	99	57%	0.574	55%	0.552	S	S	*	*	H	α-helix	trans	-65.8	-46.5	174.5	-67.3	164	0	0	0	110.2	N872 E873 K878 A879 V880	N872-I876 WeakPolarHBondContact O-CG1 3.05Å; N872-I876 PolarHBondContact O-N 3.46Å; E873-I876 PolarHBondContact O-N 3.41Å; I876-K878 VanDerWaalsContact C-N 3.32Å; I876-K878 PolarHBondContact O-N 3.24Å; I876-A879 PolarHBondContact O-N 3Å; I876-V880 HydrophobicContact CG2-CG2 4.48Å; I876-V880 WeakPolarHBondContact O-CB 3.37Å; I876-V880 VanDerWaalsContact O-CG2 3.32Å; I876-V880 WeakPolarHBondContact O-CG2 3.37Å; I876-V880 PolarHBondContact O-N 3.35Å
877	A	36	Very low	34.7	Very low	54 Å²	54	97.1 Å²	97.1	45%	0.446	54%	0.537	S	S	.	.	H	α-helix	trans	-59.8	-39.6	175.1	0	0	0	0	0	112.6	E873 V880 T881	E873-A877 PolarHBondContact O-N 2.97Å; A877-V880 PolarHBondContact O-N 3.26Å; A877-T881 PolarHBondContact O-N 3.42Å; A877-T881 PolarHBondContact O-OG1 2.84Å
878	K	33.9	Very low	35.1	Very low	110 Å²	110	96.4 Å²	96.4	48%	0.478	53%	0.528	S	S	.	.	H	α-helix	trans	-66.2	-43.7	174.3	-168.6	169.8	-175.6	-78.6	0	112.3	F874 R875 I876 V880 T881 E882	F874-K878 WeakPolarHBondContact O-CB 3.43Å; F874-K878 PolarHBondContact O-N 2.84Å; R875-K878 PolarHBondContact O-N 3.13Å; I876-K878 VanDerWaalsContact C-N 3.32Å; I876-K878 PolarHBondContact O-N 3.24Å; K878-V880 PolarHBondContact O-N 3.01Å; K878-T881 WeakPolarHBondContact CA-OG1 3.47Å; K878-T881 PolarHBondContact O-N 2.83Å; K878-T881 PolarHBondContact O-OG1 3.25Å; K878-E882 WeakPolarHBondContact CE-OE1 3.11Å; K878-E882 HydrophobicContact CG-CG 4.47Å; K878-E882 IonicContact NZ-OE1 2.67Å; K878-E882 PolarHBondContact NZ-OE1 3.03Å; K878-E882 IonicContact NZ-OE2 2.8Å; K878-E882 WeakPolarHBondContact O-CB 3.42Å; K878-E882 WeakPolarHBondContact O-CG 3.39Å; K878-E882 PolarHBondContact O-N 2.83Å
879	A	38.5	Very low	35.1	Very low	43 Å²	43	92.2 Å²	92.2	36%	0.355	52%	0.523	S	S	.	.	H	α-helix	trans	-64.5	-38	175.8	0	0	0	0	0	112.5	R875 I876 T883	R875-A879 WeakPolarHBondContact O-CB 3.37Å; R875-A879 PolarHBondContact O-N 2.99Å; I876-A879 PolarHBondContact O-N 3Å; A879-T883 WeakPolarHBondContact O-CB 3.09Å; A879-T883 PolarHBondContact O-N 3.19Å; A879-T883 PolarHBondContact O-OG1 2.89Å
880	V	39.4	Very low	35.4	Very low	85 Å²	85	91.3 Å²	91.3	52%	0.515	52%	0.515	S	S	.	.	H	α-helix	trans	-64.3	-41.4	175.1	167.8	0	0	0	0	111.3	I876 A877 K878 A884	I876-V880 HydrophobicContact CG2-CG2 4.48Å; I876-V880 WeakPolarHBondContact O-CB 3.37Å; I876-V880 VanDerWaalsContact O-CG2 3.32Å; I876-V880 WeakPolarHBondContact O-CG2 3.37Å; I876-V880 PolarHBondContact O-N 3.35Å; A877-V880 PolarHBondContact O-N 3.26Å; K878-V880 PolarHBondContact O-N 3.01Å; V880-A884 VanDerWaalsContact O-CB 3.32Å; V880-A884 WeakPolarHBondContact O-CB 3.36Å; V880-A884 PolarHBondContact O-N 3.09Å
881	T	39.2	Very low	35.4	Very low	88 Å²	88	92.5 Å²	92.5	54%	0.54	52%	0.519	S	S	.	.	H	α-helix	trans	-73.8	-36.7	177.4	43.2	0	0	0	0	113.1	A877 K878 A884 A885	A877-T881 PolarHBondContact O-N 3.42Å; A877-T881 PolarHBondContact O-OG1 2.84Å; K878-T881 WeakPolarHBondContact CA-OG1 3.47Å; K878-T881 PolarHBondContact O-N 2.83Å; K878-T881 PolarHBondContact O-OG1 3.25Å; T881-A884 PolarHBondContact O-N 3.46Å; T881-A885 WeakPolarHBondContact O-CB 3.28Å; T881-A885 PolarHBondContact O-N 3.3Å
882	E	37.3	Very low	35.4	Very low	97 Å²	97	96.6 Å²	96.6	45%	0.453	53%	0.528	S	S	.	.	H	α-helix	trans	-67.4	-41.6	174.1	-74	174.1	166.9	0	0	112	K878 A884 A885 I886	K878-E882 WeakPolarHBondContact CE-OE1 3.11Å; K878-E882 HydrophobicContact CG-CG 4.47Å; K878-E882 IonicContact NZ-OE1 2.67Å; K878-E882 PolarHBondContact NZ-OE1 3.03Å; K878-E882 IonicContact NZ-OE2 2.8Å; K878-E882 WeakPolarHBondContact O-CB 3.42Å; K878-E882 WeakPolarHBondContact O-CG 3.39Å; K878-E882 PolarHBondContact O-N 2.83Å; E882-A884 VanDerWaalsContact C-N 3.33Å; E882-A884 PolarHBondContact O-N 3.4Å; E882-A885 PolarHBondContact O-N 3.37Å; E882-I886 WeakPolarHBondContact O-CG1 3.42Å; E882-I886 PolarHBondContact O-N 2.87Å
883	T	37	Very low	35.4	Very low	51 Å²	51	96.7 Å²	96.7	31%	0.313	54%	0.538	S	S	.	.	H	α-helix	trans	-63.6	-39.7	173.3	-49.1	0	0	0	0	111.2	M812 A879	M812-T883 HydrophobicContact SD-CG2 3.89Å; A879-T883 WeakPolarHBondContact O-CB 3.09Å; A879-T883 PolarHBondContact O-N 3.19Å; A879-T883 PolarHBondContact O-OG1 2.89Å
884	A	34	Very low	35.1	Very low	17 Å²	17	98.6 Å²	98.6	14%	0.14	54%	0.544	C	S	.	.	H	α-helix	trans	-64.5	-43.5	174.9	0	0	0	0	0	112.2	V880 T881 E882 I886 T887 I888	V880-A884 VanDerWaalsContact O-CB 3.32Å; V880-A884 WeakPolarHBondContact O-CB 3.36Å; V880-A884 PolarHBondContact O-N 3.09Å; T881-A884 PolarHBondContact O-N 3.46Å; E882-A884 VanDerWaalsContact C-N 3.33Å; E882-A884 PolarHBondContact O-N 3.4Å; A884-I886 VanDerWaalsContact C-N 3.31Å; A884-I886 PolarHBondContact O-N 2.99Å; A884-T887 PolarHBondContact O-N 3.45Å; A884-T887 VanDerWaalsContact O-N 3.08Å; A884-T887 PolarHBondContact O-OG1 3.22Å; A884-I888 VanDerWaalsContact O-CD1 3.29Å; A884-I888 WeakPolarHBondContact O-CD1 3.44Å; A884-I888 VanDerWaalsContact O-CG1 3.27Å; A884-I888 WeakPolarHBondContact O-CG1 3.29Å; A884-I888 PolarHBondContact O-N 2.89Å
885	A	33.7	Very low	35.1	Very low	60 Å²	60	96.1 Å²	96.1	50%	0.496	54%	0.537	S	S	.	.	H	α-helix	trans	-59.3	-40	179.6	0	0	0	0	0	112.5	T881 E882 T887 I888	T881-A885 WeakPolarHBondContact O-CB 3.28Å; T881-A885 PolarHBondContact O-N 3.3Å; E882-A885 PolarHBondContact O-N 3.37Å; A885-T887 VanDerWaalsContact C-N 3.26Å; A885-T887 PolarHBondContact O-N 3.47Å; A885-I888 PolarHBondContact O-N 2.95Å; A885-I888 VanDerWaalsContact O-N 3.09Å
886	I	35.4	Very low	34.9	Very low	143 Å²	143	91.8 Å²	91.8	73%	0.733	54%	0.541	S	S	*	.	H	α-helix	trans	-63.2	-31.9	177.3	-66.6	166	0	0	0	111.7	E882 A884 I888	E882-I886 WeakPolarHBondContact O-CG1 3.42Å; E882-I886 PolarHBondContact O-N 2.87Å; A884-I886 VanDerWaalsContact C-N 3.31Å; A884-I886 PolarHBondContact O-N 2.99Å; I886-I888 VanDerWaalsContact C-N 3.32Å; I886-I888 PolarHBondContact O-N 3.48Å
887	T	36.3	Very low	34.5	Very low	66 Å²	66	90.2 Å²	90.2	41%	0.405	55%	0.545	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-6.3	175.3	59	0	0	0	0	115.2	A805 A884 A885	A805-T887 HydrophobicContact CB-CG2 4.36Å; A884-T887 PolarHBondContact O-N 3.45Å; A884-T887 VanDerWaalsContact O-N 3.08Å; A884-T887 PolarHBondContact O-OG1 3.22Å; A885-T887 VanDerWaalsContact C-N 3.26Å; A885-T887 PolarHBondContact O-N 3.47Å
888	I	34.4	Very low	34	Very low	105 Å²	105	95 Å²	95	54%	0.538	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.6	18.5	-168.4	-69.4	167.5	0	0	0	112.6	A884 A885 I886 P890	A884-I888 VanDerWaalsContact O-CD1 3.29Å; A884-I888 WeakPolarHBondContact O-CD1 3.44Å; A884-I888 VanDerWaalsContact O-CG1 3.27Å; A884-I888 WeakPolarHBondContact O-CG1 3.29Å; A884-I888 PolarHBondContact O-N 2.89Å; A885-I888 PolarHBondContact O-N 2.95Å; A885-I888 VanDerWaalsContact O-N 3.09Å; I886-I888 VanDerWaalsContact C-N 3.32Å; I886-I888 PolarHBondContact O-N 3.48Å; I888-P890 WeakPolarHBondContact O-CD 3.47Å
889	A	27.6	Very low	33.9	Very low	86 Å²	86	96.1 Å²	96.1	71%	0.711	57%	0.573	S	S	*	*			trans	-107.7	55.3	-175.6	0	0	0	0	0	117.2	V891	A889-V891 PolarHBondContact O-N 3.41Å
890	P	36.2	Very low	33.4	Very low	74 Å²	74	99.3 Å²	99.3	48%	0.481	59%	0.589	S	S	.	*			trans	-83.4	111.4	170.4	33.8	-30.6	0	0	0	112.2	I888 E892	I888-P890 WeakPolarHBondContact O-CD 3.47Å; P890-E892 PolarHBondContact O-N 3.06Å
891	V	32.4	Very low	33	Very low	98 Å²	98	102.6 Å²	102.6	59%	0.594	60%	0.604	S	S	*	*	S	Bend	trans	15.4	61.9	149.8	-156.5	0	0	0	0	118.9	K794 A889	K794-V891 PolarHBondContact NZ-O 3.17Å; A889-V891 PolarHBondContact O-N 3.41Å
892	E	33.3	Very low	32.4	Very low	145 Å²	145	105.2 Å²	105.2	68%	0.678	61%	0.613	S	S	*	*			trans	-120.9	-22	167.8	-71.2	-172.8	171.3	0	0	113.3	P890 K894 I895	P890-E892 PolarHBondContact O-N 3.06Å; E892-K894 PolarHBondContact O-N 3.42Å; E892-I895 PolarHBondContact O-N 3.38Å
893	S	34.1	Very low	32	Very low	115 Å²	115	106 Å²	106	80%	0.804	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-1.6	176	56.2	0	0	0	0	115.6
894	K	30.3	Very low	31.5	Very low	178 Å²	178	112.2 Å²	112.2	77%	0.774	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.7	4.7	172.8	-77.5	-167.1	172.2	-173.7	0	114.8	E892	E892-K894 PolarHBondContact O-N 3.42Å
895	I	33.8	Very low	31.3	Very low	104 Å²	104	118 Å²	118	53%	0.533	68%	0.676	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.6	-27.7	176.4	-64.4	178	0	0	0	111.5	E892 A897	E892-I895 PolarHBondContact O-N 3.38Å; I895-A897 PolarHBondContact O-N 3.19Å
896	A	30.7	Very low	31.2	Very low	97 Å²	97	123.2 Å²	123.2	80%	0.802	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	12.1	175.8	0	0	0	0	0	115.5
897	A	30.6	Very low	30.8	Very low	78 Å²	78	127.2 Å²	127.2	65%	0.645	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	-17.8	-175.8	0	0	0	0	0	114.6	I895	I895-A897 PolarHBondContact O-N 3.19Å
898	N	27	Very low	30.6	Very low	155 Å²	155	129.2 Å²	129.2	83%	0.829	71%	0.712	S	S	*	*	S	Bend	trans	-128.2	55.3	-174.1	-81.3	-9.4	0	0	0	112
899	I	31.2	Very low	30.4	Very low	134 Å²	134	131.9 Å²	131.9	69%	0.687	73%	0.727	S	S	*	*			trans	-129.1	119	164.5	-59.9	179.2	0	0	0	107	L901	I899-L901 PolarHBondContact O-N 3.21Å
900	P	28.9	Very low	30.8	Very low	109 Å²	109	132.8 Å²	132.8	71%	0.708	73%	0.726	S	S	*	*			trans	-66.5	129	174.1	28.2	-33	0	0	0	109.3	I902	P900-I902 PolarHBondContact O-N 3.23Å
901	L	29.2	Very low	30.6	Very low	155 Å²	155	136.7 Å²	136.7	81%	0.812	74%	0.742	S	S	*	*			trans	-76.1	95.1	-175.1	-160.9	81.3	0	0	0	110.4	I899 T903	I899-L901 PolarHBondContact O-N 3.21Å; L901-T903 PolarHBondContact O-N 2.99Å
902	I	27.6	Very low	30.5	Very low	142 Å²	142	137.6 Å²	137.6	73%	0.728	74%	0.743	S	S	*	*			trans	-74.7	92.5	170.8	-59.1	179.4	0	0	0	108.1	P900 F904	P900-I902 PolarHBondContact O-N 3.23Å; I902-F904 HydrophobicContact CG2-CD2 4.27Å; I902-F904 HydrophobicContact CG2-CE2 4.47Å; I902-F904 PolarHBondContact O-N 2.92Å
903	T	29.5	Very low	30.3	Very low	115 Å²	115	138.9 Å²	138.9	71%	0.706	75%	0.747	S	S	*	*			trans	-73.9	109.3	179.4	-53.9	0	0	0	0	110.8	L901	L901-T903 PolarHBondContact O-N 2.99Å
904	F	25.6	Very low	30.1	Very low	181 Å²	181	141 Å²	141	79%	0.794	74%	0.744	S	S	*	*			trans	-98.5	115.9	164.4	-103.6	-85.8	0	0	0	110.2	I902	I902-F904 HydrophobicContact CG2-CD2 4.27Å; I902-F904 HydrophobicContact CG2-CE2 4.47Å; I902-F904 PolarHBondContact O-N 2.92Å
905	N	30.7	Very low	30.1	Very low	137 Å²	137	136.5 Å²	136.5	73%	0.733	73%	0.734	S	S	*	*			trans	-168.7	106.9	150.3	-93.4	-17.8	0	0	0	106
906	Q	30.7	Very low	29.8	Very low	170 Å²	170	138.4 Å²	138.4	79%	0.794	75%	0.746	S	S	*	*				72.3	101.4	91	-76.4	-166.2	-20.9	0	0	113.7
907	Y	28.1	Very low	29.8	Very low	227 Å²	227	141 Å²	141	89%	0.89	75%	0.745	S	S	*	*			trans	39.1	121.3	157.1	-79.4	-88.4	0	0	0	120.8
908	P	31	Very low	29.7	Very low	109 Å²	109	142 Å²	142	71%	0.708	75%	0.747	S	S	*	*			trans	-85.4	157.7	165.6	37.4	-33.9	0	0	0	112.2
909	D	29.5	Very low	29.6	Very low	160 Å²	160	142.8 Å²	142.8	86%	0.856	75%	0.745	S	S	*	*				-156.1	156.9	125.1	-103.1	-21	0	0	0	109.9
910	P	36.4	Very low	29.6	Very low	106 Å²	106	146.1 Å²	146.1	69%	0.688	76%	0.755	S	S	*	*			trans	-129.4	167.7	-146.7	41.6	-28.1	0	0	0	116.2
911	L	31.4	Very low	29.5	Very low	155 Å²	155	145.5 Å²	145.5	81%	0.812	75%	0.753	S	S	*	*			trans	-172.6	135.2	136.4	-105.2	156	0	0	0	115.3
912	N	30.3	Very low	29.4	Very low	117 Å²	117	147 Å²	147	63%	0.626	76%	0.755	S	S	*	*			trans	50.6	122.1	153.5	-82.7	-22.2	0	0	0	124.1
913	K	29.8	Very low	29.3	Very low	173 Å²	173	148.4 Å²	148.4	75%	0.752	76%	0.763	S	S	*	*				42.5	143.4	110.8	-57.4	178.8	-176.6	-178	0	119.3
914	Q	30.5	Very low	29.2	Very low	159 Å²	159	147.5 Å²	147.5	74%	0.743	76%	0.762	S	S	*	*			cis	-160.4	162.6	19.7	-153.3	148.3	-56.4	0	0	113.9
915	S	29.3	Very low	29.5	Very low	83 Å²	83	145.6 Å²	145.6	58%	0.58	77%	0.765	S	S	*	*			trans	53.3	113.8	145.8	55.9	0	0	0	0	123.3
916	D	28.2	Very low	29.4	Very low	144 Å²	144	147 Å²	147	77%	0.77	77%	0.771	S	S	*	*				103.1	134.1	107.8	-71.3	-13.8	0	0	0	126.3
917	I	31	Very low	29.5	Very low	152 Å²	152	146 Å²	146	78%	0.779	77%	0.767	S	S	*	*			trans	87.2	100.8	136.9	-72.7	166.4	0	0	0	121.6
918	S	27.1	Very low	29.7	Very low	99 Å²	99	143.4 Å²	143.4	69%	0.692	76%	0.761	S	S	*	*				95.9	114.1	126.6	-157.4	0	0	0	0	123.6
919	H	26.4	Very low	29.7	Very low	171 Å²	171	146.6 Å²	146.6	79%	0.792	77%	0.765	S	S	*	*			trans	24.6	123.6	140	-63.5	-96.7	0	0	0	121.7
920	K	31.3	Very low	29.8	Very low	205 Å²	205	146.1 Å²	146.1	89%	0.891	76%	0.758	S	S	*	*				-157.1	145.7	96	-110.5	170.6	-176.5	174.7	0	115.5
921	S	26.6	Very low	29.8	Very low	95 Å²	95	151.3 Å²	151.3	66%	0.664	76%	0.764	S	S	*	*			trans	-54.9	148	-174.6	49.2	0	0	0	0	119
922	H	26.4	Very low	29.9	Very low	187 Å²	187	153.8 Å²	153.8	87%	0.866	76%	0.762	S	S	*	*			trans	45	99.3	141.6	-79.1	-117.5	0	0	0	119.7
923	L	26.6	Very low	30	Very low	171 Å²	171	150.9 Å²	150.9	90%	0.895	75%	0.751	S	S	*	*			trans	-170.8	49.7	132.6	-154.2	71.8	0	0	0	115.7
924	S	26.6	Very low	30.3	Very low	97 Å²	97	145 Å²	145	68%	0.678	73%	0.734	S	S	*	*			trans	-146	32.7	-166.6	55.6	0	0	0	0	119.8
925	V	31.5	Very low	30.5	Very low	140 Å²	140	140.3 Å²	140.3	85%	0.848	72%	0.723	S	S	*	*	S	Bend	trans	-88.2	-29	170.8	-179.2	0	0	0	0	113.2
926	L	29.6	Very low	30.9	Very low	167 Å²	167	141.5 Å²	141.5	87%	0.874	72%	0.723	S	S	*	*	S	Bend	trans	-84.8	-13	-172.5	-110.6	160.2	0	0	0	115.5
927	Q	31.9	Very low	31.4	Very low	150 Å²	150	139.6 Å²	139.6	70%	0.701	71%	0.712	S	S	*	*	S	Bend	trans	-89.6	-17.1	-178.2	-82.2	-176.3	-21.7	0	0	114.9	H929 H930	Q927-H929 PolarHBondContact O-N 3.21Å; Q927-H930 PolarHBondContact O-N 2.93Å
928	F	31.6	Very low	31.7	Very low	172 Å²	172	136.9 Å²	136.9	75%	0.754	70%	0.699	S	S	*	*	H	α-helix	trans	-72.1	-29.9	-171.5	-144	-92.5	0	0	0	113.6
929	H	31.7	Very low	32.2	Very low	175 Å²	175	140.4 Å²	140.4	81%	0.81	70%	0.697	S	S	*	*	H	α-helix	trans	-70.4	-29.2	176	-99.3	-93.7	0	0	0	113.5	Q927	Q927-H929 PolarHBondContact O-N 3.21Å
930	H	32.4	Very low	32.7	Very low	151 Å²	151	136.2 Å²	136.2	70%	0.699	68%	0.683	S	S	*	*	H	α-helix	trans	-85	-13.4	-169.7	-143	-58.1	0	0	0	114.6	Q927 S933	Q927-H930 PolarHBondContact O-N 2.93Å; H930-S933 PolarHBondContact O-OG 3.21Å
931	R	34.7	Very low	33.1	Very low	215 Å²	215	131.7 Å²	131.7	81%	0.811	67%	0.667	S	S	*	*	H	α-helix	trans	-85.4	-24.1	172.4	-79.7	-172.3	170	-171.4	-2.5	113.7	A935	R931-A935 PolarHBondContact O-N 2.79Å
932	R	33.7	Very low	33.7	Very low	206 Å²	206	131.6 Å²	131.6	78%	0.777	66%	0.659	S	S	*	*	H	α-helix	trans	-78.8	-24.5	-175.4	-156.4	170.2	-171.9	160.8	2.4	113.5
933	S	33.6	Very low	34.4	Very low	57 Å²	57	128.9 Å²	128.9	40%	0.399	65%	0.646	S	S	.	*	H	α-helix	trans	-71.8	-46.7	171.1	49.3	0	0	0	0	112.1	H930 A935 N936 I937	H930-S933 PolarHBondContact O-OG 3.21Å; S933-A935 VanDerWaalsContact C-N 3.3Å; S933-A935 PolarHBondContact O-N 3.27Å; S933-N936 PolarHBondContact O-N 2.84Å; S933-N936 VanDerWaalsContact O-N 3.11Å; S933-I937 PolarHBondContact O-N 3.11Å
934	A	34.5	Very low	34.8	Very low	48 Å²	48	125.9 Å²	125.9	40%	0.397	63%	0.63	S	S	.	*	H	α-helix	trans	-57.8	-39.6	179.6	0	0	0	0	0	113	N936 I937 N938	A934-N936 VanDerWaalsContact C-N 3.3Å; A934-N936 PolarHBondContact O-N 3.07Å; A934-I937 PolarHBondContact O-N 2.99Å; A934-N938 PolarHBondContact O-N 2.69Å
935	A	36.1	Very low	35.4	Very low	61 Å²	61	128.6 Å²	128.6	50%	0.504	63%	0.63	S	S	.	*	H	α-helix	trans	-63	-31.1	177.7	0	0	0	0	0	113.8	R931 S933	R931-A935 PolarHBondContact O-N 2.79Å; S933-A935 VanDerWaalsContact C-N 3.3Å; S933-A935 PolarHBondContact O-N 3.27Å
936	N	36.9	Very low	35.9	Very low	109 Å²	109	126.8 Å²	126.8	58%	0.583	62%	0.616	S	S	*	*	H	α-helix	trans	-77.6	-34.6	174.6	-89	10.8	0	0	0	112.3	S933 A934 R939 V940	S933-N936 PolarHBondContact O-N 2.84Å; S933-N936 VanDerWaalsContact O-N 3.11Å; A934-N936 VanDerWaalsContact C-N 3.3Å; A934-N936 PolarHBondContact O-N 3.07Å; N936-R939 PolarHBondContact O-N 3.1Å; N936-V940 WeakPolarHBondContact O-CG2 3.48Å; N936-V940 PolarHBondContact O-N 2.92Å
937	I	39.3	Very low	36.4	Very low	104 Å²	104	123.8 Å²	123.8	53%	0.533	60%	0.597	S	S	.	*	H	α-helix	trans	-62.5	-45.3	179.4	-66.9	169.2	0	0	0	110.6	S933 A934 R939 V940 M941	S933-I937 PolarHBondContact O-N 3.11Å; A934-I937 PolarHBondContact O-N 2.99Å; I937-R939 VanDerWaalsContact C-N 3.32Å; I937-R939 PolarHBondContact O-N 3.39Å; I937-V940 PolarHBondContact O-N 2.8Å; I937-M941 PolarHBondContact O-N 2.98Å; I937-M941 VanDerWaalsContact O-N 3.07Å
938	N	36.8	Very low	36.8	Very low	94 Å²	94	121.4 Å²	121.4	50%	0.503	59%	0.589	S	S	.	*	H	α-helix	trans	-61.7	-41.2	176	-70.2	2.9	0	0	0	111.7	A934 V940 M941 D942	A934-N938 PolarHBondContact O-N 2.69Å; N938-V940 VanDerWaalsContact C-N 3.34Å; N938-V940 PolarHBondContact O-N 2.76Å; N938-M941 PolarHBondContact O-N 3.42Å; N938-M941 VanDerWaalsContact O-N 3.13Å; N938-D942 PolarHBondContact O-N 3.46Å
939	R	37.6	Very low	37.3	Very low	174 Å²	174	117.4 Å²	117.4	66%	0.657	57%	0.573	S	S	*	*	H	α-helix	trans	-64.1	-36.4	179.9	-157.5	175.2	-163	139.3	7.9	113	N936 I937 D942 E943	N936-R939 PolarHBondContact O-N 3.1Å; I937-R939 VanDerWaalsContact C-N 3.32Å; I937-R939 PolarHBondContact O-N 3.39Å; R939-D942 PolarHBondContact O-N 2.99Å; R939-E943 PolarHBondContact O-N 3.28Å; R939-E943 VanDerWaalsContact O-N 3.08Å
940	V	38.3	Very low	37.5	Very low	82 Å²	82	114.5 Å²	114.5	50%	0.497	56%	0.558	S	S	.	*	H	α-helix	trans	-70.8	-34.4	173.8	172.8	0	0	0	0	111.6	N936 I937 N938 E943 L944	N936-V940 WeakPolarHBondContact O-CG2 3.48Å; N936-V940 PolarHBondContact O-N 2.92Å; I937-V940 PolarHBondContact O-N 2.8Å; N938-V940 VanDerWaalsContact C-N 3.34Å; N938-V940 PolarHBondContact O-N 2.76Å; V940-E943 PolarHBondContact O-N 3.35Å; V940-L944 HydrophobicContact CG1-CD1 4.3Å; V940-L944 WeakPolarHBondContact O-CG 3.1Å; V940-L944 PolarHBondContact O-N 3.02Å
941	M	38.7	Very low	37.9	Very low	111 Å²	111	111.7 Å²	111.7	55%	0.547	55%	0.545	S	S	.	.	H	α-helix	trans	-67.4	-37.1	172.1	-70.2	-162.3	-62.2	0	0	112.6	I937 N938 L944 K945	I937-M941 PolarHBondContact O-N 2.98Å; I937-M941 VanDerWaalsContact O-N 3.07Å; N938-M941 PolarHBondContact O-N 3.42Å; N938-M941 VanDerWaalsContact O-N 3.13Å; M941-L944 PolarHBondContact O-N 2.92Å; M941-K945 WeakPolarHBondContact O-CB 3.38Å; M941-K945 PolarHBondContact O-N 3.43Å
942	D	39.2	Very low	38.3	Very low	93 Å²	93	108 Å²	108	50%	0.497	54%	0.535	S	S	.	.	H	α-helix	trans	-69.4	-33	175.2	-72.4	-36.3	0	0	0	112.6	N938 R939 K945 N946	N938-D942 PolarHBondContact O-N 3.46Å; R939-D942 PolarHBondContact O-N 2.99Å; D942-K945 PolarHBondContact O-N 2.96Å; D942-N946 PolarHBondContact O-N 3.39Å; D942-N946 PolarHBondContact O-ND2 3.46Å
943	E	41.3	Very low	38.4	Very low	129 Å²	129	106 Å²	106	60%	0.603	53%	0.528	S	S	*	.	H	α-helix	trans	-68.9	-43.6	172.1	-75.3	179.2	170.7	0	0	111.9	R939 V940 K945 N946 E947	R939-E943 PolarHBondContact O-N 3.28Å; R939-E943 VanDerWaalsContact O-N 3.08Å; V940-E943 PolarHBondContact O-N 3.35Å; E943-K945 PolarHBondContact O-N 3.22Å; E943-N946 PolarHBondContact O-N 2.92Å; E943-N946 VanDerWaalsContact O-N 3.11Å; E943-E947 PolarHBondContact O-N 3.28Å
944	L	35	Very low	38.6	Very low	108 Å²	108	107.2 Å²	107.2	57%	0.565	53%	0.529	S	S	*	.	H	α-helix	trans	-57.8	-35.1	172.5	-78.8	164.4	0	0	0	112.7	V940 M941 N946 E947 D948	V940-L944 HydrophobicContact CG1-CD1 4.3Å; V940-L944 WeakPolarHBondContact O-CG 3.1Å; V940-L944 PolarHBondContact O-N 3.02Å; M941-L944 PolarHBondContact O-N 2.92Å; L944-N946 VanDerWaalsContact C-N 3.26Å; L944-N946 PolarHBondContact O-N 2.97Å; L944-E947 PolarHBondContact O-N 3.32Å; L944-D948 PolarHBondContact O-N 3.38Å
945	K	39.2	Very low	38.7	Very low	154 Å²	154	111.3 Å²	111.3	67%	0.67	54%	0.54	S	S	*	.	H	α-helix	trans	-67.6	-24	178.9	-152.5	174.3	-171.5	177.6	0	113.6	M941 D942 E943	M941-K945 WeakPolarHBondContact O-CB 3.38Å; M941-K945 PolarHBondContact O-N 3.43Å; D942-K945 PolarHBondContact O-N 2.96Å; E943-K945 PolarHBondContact O-N 3.22Å
946	N	41	Very low	38.7	Very low	103 Å²	103	117 Å²	117	55%	0.551	55%	0.553	S	S	*	*	H	α-helix	trans	-84.5	-32.1	175.3	-70.9	-55.7	0	0	0	112.4	D942 E943 L944 D948 E949 F950	D942-N946 PolarHBondContact O-N 3.39Å; D942-N946 PolarHBondContact O-ND2 3.46Å; E943-N946 PolarHBondContact O-N 2.92Å; E943-N946 VanDerWaalsContact O-N 3.11Å; L944-N946 VanDerWaalsContact C-N 3.26Å; L944-N946 PolarHBondContact O-N 2.97Å; N946-D948 VanDerWaalsContact C-N 3.29Å; N946-D948 PolarHBondContact O-N 3.08Å; N946-E949 WeakPolarHBondContact O-CA 3.33Å; N946-E949 WeakPolarHBondContact O-CB 3.4Å; N946-E949 PolarHBondContact O-N 2.94Å; N946-F950 PolarHBondContact O-N 2.96Å
947	E	41.3	Very low	38.6	Very low	104 Å²	104	122.2 Å²	122.2	49%	0.486	57%	0.565	S	S	.	*	H	α-helix	trans	-65.4	-34.8	177	-162.1	61.4	-150.2	0	0	111.5	E943 L944 E949 F950 Q951	E943-E947 PolarHBondContact O-N 3.28Å; L944-E947 PolarHBondContact O-N 3.32Å; E947-E949 VanDerWaalsContact C-N 3.25Å; E947-E949 PolarHBondContact O-N 3.12Å; E947-F950 WeakPolarHBondContact O-CB 3.39Å; E947-F950 PolarHBondContact O-N 3.11Å; E947-F950 VanDerWaalsContact O-N 3.15Å; E947-F950 WeakPolarHBondContact OE1-CD1 3.35Å; E947-Q951 PolarHBondContact O-N 3.31Å
948	D	39.3	Very low	38.3	Very low	100 Å²	100	121.2 Å²	121.2	54%	0.535	57%	0.567	S	S	.	*	H	α-helix	trans	-60.5	-31.7	169.8	-112.9	10.2	0	0	0	112.9	L944 N946 K952	L944-D948 PolarHBondContact O-N 3.38Å; N946-D948 VanDerWaalsContact C-N 3.29Å; N946-D948 PolarHBondContact O-N 3.08Å; D948-K952 WeakPolarHBondContact O-CB 3.49Å; D948-K952 WeakPolarHBondContact O-CD 3.32Å; D948-K952 VanDerWaalsContact O-CG 3.27Å; D948-K952 WeakPolarHBondContact O-CG 3.48Å; D948-K952 PolarHBondContact O-N 2.99Å; D948-K952 VanDerWaalsContact O-N 3.1Å
949	E	42	Very low	37.9	Very low	88 Å²	88	121 Å²	121	41%	0.411	57%	0.573	S	S	.	*	H	α-helix	trans	-77.6	-35	174.1	-138.8	-143.3	111.9	0	0	111.6	N946 E947 K952 R953	N946-E949 WeakPolarHBondContact O-CA 3.33Å; N946-E949 WeakPolarHBondContact O-CB 3.4Å; N946-E949 PolarHBondContact O-N 2.94Å; E947-E949 VanDerWaalsContact C-N 3.25Å; E947-E949 PolarHBondContact O-N 3.12Å; E949-K952 PolarHBondContact O-N 2.94Å; E949-R953 VanDerWaalsContact O-CG 3.3Å; E949-R953 WeakPolarHBondContact O-CG 3.36Å; E949-R953 PolarHBondContact O-N 3.28Å; E949-R953 IonicContact OE1-CZ 3.12Å; E949-R953 IonicContact OE1-NE 2.76Å; E949-R953 PolarHBondContact OE1-NE 2.77Å; E949-R953 IonicContact OE1-NH2 2.65Å; E949-R953 PolarHBondContact OE1-NH2 2.87Å; E949-R953 IonicContact OE2-NH2 3.78Å
950	F	36.9	Very low	37.5	Very low	114 Å²	114	122 Å²	122	50%	0.5	58%	0.582	S	S	.	*	H	α-helix	trans	-64.8	-42.6	173	-170.1	-113.5	0	0	0	111.7	N946 E947 R953 L954	N946-F950 PolarHBondContact O-N 2.96Å; E947-F950 WeakPolarHBondContact O-CB 3.39Å; E947-F950 PolarHBondContact O-N 3.11Å; E947-F950 VanDerWaalsContact O-N 3.15Å; E947-F950 WeakPolarHBondContact OE1-CD1 3.35Å; F950-R953 PolarHBondContact O-N 2.94Å; F950-L954 HydrophobicContact CD1-CD1 3.96Å; F950-L954 HydrophobicContact CE1-CD1 3.69Å; F950-L954 HydrophobicContact CZ-CD1 4.26Å; F950-L954 PolarHBondContact O-N 3.38Å
951	Q	40.7	Very low	37	Very low	92 Å²	92	127.3 Å²	127.3	43%	0.43	60%	0.599	S	S	.	*	H	α-helix	trans	-64	-39.1	172.4	-76.1	-65.5	-13	0	0	112.7	E947 R953 L954 H955	E947-Q951 PolarHBondContact O-N 3.31Å; Q951-R953 VanDerWaalsContact C-N 3.33Å; Q951-R953 PolarHBondContact O-N 3.18Å; Q951-L954 PolarHBondContact O-N 3.35Å; Q951-H955 PolarHBondContact O-N 2.82Å
952	K	42.1	Very low	36.6	Very low	137 Å²	137	131.2 Å²	131.2	60%	0.596	62%	0.616	S	S	*	*	H	α-helix	trans	-62.9	-37	171.6	-77.5	164.4	-175.8	156.1	0	112.4	D948 E949 K956	D948-K952 WeakPolarHBondContact O-CB 3.49Å; D948-K952 WeakPolarHBondContact O-CD 3.32Å; D948-K952 VanDerWaalsContact O-CG 3.27Å; D948-K952 WeakPolarHBondContact O-CG 3.48Å; D948-K952 PolarHBondContact O-N 2.99Å; D948-K952 VanDerWaalsContact O-N 3.1Å; E949-K952 PolarHBondContact O-N 2.94Å; K952-K956 VanDerWaalsContact O-CB 3.31Å; K952-K956 WeakPolarHBondContact O-CB 3.42Å; K952-K956 PolarHBondContact O-N 3.28Å
953	R	37.8	Very low	36.2	Very low	164 Å²	164	130.1 Å²	130.1	62%	0.619	63%	0.626	S	S	*	*	H	α-helix	trans	-69.9	-30.3	173.6	-70	172.6	-173.3	-145.5	8.8	112.8	E949 F950 Q951	E949-R953 VanDerWaalsContact O-CG 3.3Å; E949-R953 WeakPolarHBondContact O-CG 3.36Å; E949-R953 PolarHBondContact O-N 3.28Å; E949-R953 IonicContact OE1-CZ 3.12Å; E949-R953 IonicContact OE1-NE 2.76Å; E949-R953 PolarHBondContact OE1-NE 2.77Å; E949-R953 IonicContact OE1-NH2 2.65Å; E949-R953 PolarHBondContact OE1-NH2 2.87Å; E949-R953 IonicContact OE2-NH2 3.78Å; F950-R953 PolarHBondContact O-N 2.94Å; Q951-R953 VanDerWaalsContact C-N 3.33Å; Q951-R953 PolarHBondContact O-N 3.18Å
954	L	36.8	Very low	35.7	Very low	82 Å²	82	131.7 Å²	131.7	43%	0.429	64%	0.639	S	S	.	*	H	α-helix	trans	-74	-45.6	172.5	-84.8	162.7	0	0	0	112.7	F950 Q951 K956 R957 S958	F950-L954 HydrophobicContact CD1-CD1 3.96Å; F950-L954 HydrophobicContact CE1-CD1 3.69Å; F950-L954 HydrophobicContact CZ-CD1 4.26Å; F950-L954 PolarHBondContact O-N 3.38Å; Q951-L954 PolarHBondContact O-N 3.35Å; L954-K956 VanDerWaalsContact C-N 3.34Å; L954-K956 PolarHBondContact O-N 3.11Å; L954-R957 WeakPolarHBondContact O-CA 3.17Å; L954-R957 VanDerWaalsContact O-CB 3.28Å; L954-R957 WeakPolarHBondContact O-CB 3.31Å; L954-R957 PolarHBondContact O-N 3.31Å; L954-S958 PolarHBondContact O-N 3.05Å
955	H	37.1	Very low	35.2	Very low	135 Å²	135	138.7 Å²	138.7	63%	0.625	66%	0.658	S	S	*	*	H	α-helix	trans	-64.6	-35.6	175.5	-95.8	70.7	0	0	0	112.6	Q951 R957 S958	Q951-H955 PolarHBondContact O-N 2.82Å; H955-R957 PolarHBondContact O-N 3.41Å; H955-S958 PolarHBondContact O-N 3.06Å; H955-S958 VanDerWaalsContact O-N 3.09Å; H955-S958 PolarHBondContact O-OG 3.13Å
956	K	35.9	Very low	34.9	Very low	180 Å²	180	137 Å²	137	78%	0.783	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-4.5	170.6	-164.1	166	-177.2	175.6	0	113.6	K952 L954	K952-K956 VanDerWaalsContact O-CB 3.31Å; K952-K956 WeakPolarHBondContact O-CB 3.42Å; K952-K956 PolarHBondContact O-N 3.28Å; L954-K956 VanDerWaalsContact C-N 3.34Å; L954-K956 PolarHBondContact O-N 3.11Å
957	R	35	Very low	34.3	Very low	218 Å²	218	136.8 Å²	136.8	82%	0.823	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	-3.9	175.2	-147.9	175.4	-171.4	175.2	2.8	113.9	L954 H955	L954-R957 WeakPolarHBondContact O-CA 3.17Å; L954-R957 VanDerWaalsContact O-CB 3.28Å; L954-R957 WeakPolarHBondContact O-CB 3.31Å; L954-R957 PolarHBondContact O-N 3.31Å; H955-R957 PolarHBondContact O-N 3.41Å
958	S	31.5	Very low	33.8	Very low	83 Å²	83	140.8 Å²	140.8	58%	0.58	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	-23.7	174.4	59.4	0	0	0	0	113.6	L954 H955 F960	L954-S958 PolarHBondContact O-N 3.05Å; H955-S958 PolarHBondContact O-N 3.06Å; H955-S958 VanDerWaalsContact O-N 3.09Å; H955-S958 PolarHBondContact O-OG 3.13Å; S958-F960 VanDerWaalsContact C-N 3.34Å; S958-F960 PolarHBondContact O-N 3.27Å; S958-F960 VanDerWaalsContact O-N 3.16Å
959	S	28.6	Very low	33.4	Very low	89 Å²	89	143.6 Å²	143.6	62%	0.622	70%	0.699	S	S	*	*	S	Bend	trans	-87.5	55.6	178.2	69.7	0	0	0	0	113.7
960	F	29.7	Very low	32.9	Very low	196 Å²	196	142.5 Å²	142.5	86%	0.86	71%	0.71	S	S	*	*			trans	-148	79.9	169.9	-136.1	-84.2	0	0	0	111.7	S958	S958-F960 VanDerWaalsContact C-N 3.34Å; S958-F960 PolarHBondContact O-N 3.27Å; S958-F960 VanDerWaalsContact O-N 3.16Å
961	K	28.8	Very low	32.3	Very low	193 Å²	193	147.3 Å²	147.3	84%	0.839	73%	0.732	S	S	*	*			trans	-148.6	63.4	-179	-159	-169.4	-176.5	-169.9	0	112.8
962	E	29.5	Very low	31.8	Very low	194 Å²	194	151.5 Å²	151.5	91%	0.907	75%	0.751	S	S	*	*			trans	-173.3	133.8	154	-105.5	152.9	-144.7	0	0	108.2
963	G	30.5	Very low	31.1	Very low	70 Å²	70	154 Å²	154	72%	0.722	76%	0.762	S	S	*	*	S	Bend	trans	135.2	95	-176.5	0	0	0	0	0	114.9
964	N	30.6	Very low	30.7	Very low	162 Å²	162	151.6 Å²	151.6	87%	0.866	77%	0.77	S	S	*	*			trans	43.2	103.5	158.9	-63.2	-5.1	0	0	0	119.8
965	W	25.5	Very low	30.2	Very low	255 Å²	255	158 Å²	158	97%	0.966	80%	0.795	S	S	*	*			trans	-77.6	139.5	156.6	-79.4	53.4	0	0	0	111.7
966	P	33.1	Very low	29.8	Very low	117 Å²	117	160.1 Å²	160.1	76%	0.76	80%	0.802	S	S	*	*			trans	-117.3	154.6	146.8	34.5	-26.2	0	0	0	112.8
967	S	27.9	Very low	29.4	Very low	100 Å²	100	158.5 Å²	158.5	70%	0.699	80%	0.802	S	S	*	*			trans	-70.2	169.7	-166.9	61.2	0	0	0	0	118.2
968	K	30.9	Very low	29.2	Very low	187 Å²	187	156.2 Å²	156.2	81%	0.813	80%	0.8	S	S	*	*			trans	84.1	142.8	171.9	-53.6	175.2	179.7	177.2	0	113.5
969	I	31.4	Very low	29.2	Very low	160 Å²	160	162 Å²	162	82%	0.821	82%	0.815	S	S	*	*			cis	-125.6	154.1	3.8	-75.6	90.6	0	0	0	107.2
970	G	30.5	Very low	29.1	Very low	64 Å²	64	163.5 Å²	163.5	66%	0.66	82%	0.821	S	S	*	*			cis	119.1	64.5	10.2	0	0	0	0	0	112.4	H972	G970-H972 PolarHBondContact O-N 2.97Å
971	F	24	Very low	29.2	Very low	216 Å²	216	163.6 Å²	163.6	95%	0.947	82%	0.821	S	S	*	*			trans	-62.2	130.2	177.7	-94.9	-91.2	0	0	0	112.1
972	H	29.8	Very low	29.3	Very low	179 Å²	179	159.1 Å²	159.1	83%	0.829	81%	0.814	S	S	*	*			trans	-152.6	158	154.9	-141.6	-98.8	0	0	0	114.6	G970	G970-H972 PolarHBondContact O-N 2.97Å
973	K	28.2	Very low	29.4	Very low	190 Å²	190	154.6 Å²	154.6	83%	0.826	80%	0.804	S	S	*	*			trans	-76.1	141.7	176.6	-60.1	171.1	179.2	174.2	0	111.3
974	S	28.9	Very low	29.4	Very low	113 Å²	113	156.7 Å²	156.7	79%	0.79	81%	0.807	S	S	*	*				157.6	136.1	120	-169.2	0	0	0	0	111.1
975	F	27.2	Very low	29.8	Very low	217 Å²	217	154.5 Å²	154.5	95%	0.952	80%	0.802	S	S	*	*			trans	-110.3	102.3	173.6	-121.7	-87	0	0	0	109.5
976	K	28.7	Very low	30	Very low	180 Å²	180	151.1 Å²	151.1	78%	0.783	80%	0.797	S	S	*	*			trans	-158.2	119.9	162.3	-129.4	173.9	-176.4	179	0	112.3
977	N	28	Very low	29.9	Very low	146 Å²	146	149.9 Å²	149.9	78%	0.781	79%	0.791	S	S	*	*			trans	49.4	106.5	156.9	-57.1	12.3	0	0	0	120.2
978	H	30.4	Very low	29.9	Very low	169 Å²	169	152 Å²	152	78%	0.782	80%	0.795	S	S	*	*				-91.5	154.9	129	-84.2	-76.5	0	0	0	107.5
979	F	30.6	Very low	29.9	Very low	205 Å²	205	151 Å²	151	90%	0.899	80%	0.798	S	S	*	*			cis	-127	152.6	38.1	-97.8	-106.8	0	0	0	114.8
980	T	26.8	Very low	29.9	Very low	121 Å²	121	147 Å²	147	74%	0.742	79%	0.788	S	S	*	*			trans	-152.2	134.2	169.2	51	0	0	0	0	111.6
981	K	32.4	Very low	30	Very low	197 Å²	197	151.8 Å²	151.8	86%	0.857	79%	0.793	S	S	*	*			trans	-164.6	111	152.2	-99.6	-170.3	177.2	-177.7	0	105.6
982	S	29.8	Very low	30.4	Very low	100 Å²	100	149.5 Å²	149.5	70%	0.699	78%	0.783	S	S	*	*				65.9	126.8	85.4	74.8	0	0	0	0	112.6
983	S	32.3	Very low	30.5	Very low	99 Å²	99	148.1 Å²	148.1	69%	0.692	78%	0.776	S	S	*	*			cis	-167.2	149.1	15	46.8	0	0	0	0	114.7
984	S	31.7	Very low	30.7	Very low	113 Å²	113	146.5 Å²	146.5	79%	0.79	78%	0.776	S	S	*	*			trans	67.6	163.4	144	58.9	0	0	0	0	119
985	P	37.4	Very low	30.6	Very low	117 Å²	117	149.8 Å²	149.8	76%	0.76	78%	0.776	S	S	*	*			trans	-126.1	170.3	-138.3	44.8	-35.7	0	0	0	117
986	E	30.7	Very low	31.1	Very low	184 Å²	184	143.9 Å²	143.9	86%	0.86	76%	0.759	S	S	*	*				-179.8	138.5	122	-102.4	-175.1	159.5	0	0	116
987	S	30.4	Very low	31.3	Very low	91 Å²	91	143.2 Å²	143.2	64%	0.636	76%	0.759	S	S	*	*			trans	63.6	127.6	140.4	86.1	0	0	0	0	125.2
988	N	29	Very low	31.5	Very low	145 Å²	145	143.6 Å²	143.6	78%	0.775	76%	0.756	S	S	*	*				80	138.8	127.1	-67.8	-15.1	0	0	0	125.6
989	L	30.3	Very low	31.6	Very low	166 Å²	166	139.9 Å²	139.9	87%	0.869	75%	0.749	S	S	*	*			trans	64.7	150.6	162.2	-91.6	67.5	0	0	0	117.8
990	A	32	Very low	31.8	Very low	75 Å²	75	137 Å²	137	62%	0.62	74%	0.741	S	S	*	*			cis	-150.6	139.9	-6	0	0	0	0	0	109.5
991	Q	31.7	Very low	32	Very low	165 Å²	165	136 Å²	136	77%	0.771	74%	0.74	S	S	*	*				58	122.2	102	-133.3	-177.3	20.2	0	0	114.6
992	K	31.8	Very low	32	Very low	167 Å²	167	134.1 Å²	134.1	73%	0.726	74%	0.739	S	S	*	*				-169.6	145	65.7	-88.9	-177.1	166.8	-177.1	0	114.3
993	H	32.9	Very low	31.9	Very low	150 Å²	150	138.3 Å²	138.3	69%	0.694	75%	0.748	S	S	*	*			trans	51.4	160.6	140.8	-64.1	-62.7	0	0	0	122
994	L	31.7	Very low	31.9	Very low	157 Å²	157	143.3 Å²	143.3	82%	0.822	76%	0.757	S	S	*	*			cis	-138	-174.7	6.2	-153.1	88.2	0	0	0	111.3
995	K	26	Very low	32	Very low	182 Å²	182	142.2 Å²	142.2	79%	0.791	75%	0.749	S	S	*	*			trans	-136.5	-175.5	-176.2	-129	-173.4	173.3	-172.3	0	107.5
996	P	38.8	Very low	31.7	Very low	92 Å²	92	143.7 Å²	143.7	60%	0.597	75%	0.75	S	S	*	*			cis	-140.8	-165.7	-9	29.1	-2.1	0	0	0	115.5
997	E	31.8	Very low	31.7	Very low	166 Å²	166	141.5 Å²	141.5	78%	0.776	75%	0.75	S	S	*	*			trans	76.6	152.7	158	-43.5	-166.9	157.4	0	0	118.6
998	H	33.9	Very low	31.4	Very low	155 Å²	155	142.9 Å²	142.9	72%	0.718	76%	0.758	S	S	*	*			cis	-148.3	146.7	9.9	-144.9	-77.3	0	0	0	111.9
999	S	31.8	Very low	31.9	Very low	90 Å²	90	141.2 Å²	141.2	63%	0.629	76%	0.756	S	S	*	*			trans	14.1	150.8	158.5	64.6	0	0	0	0	123.1
1000	I	34.2	Very low	31.8	Very low	144 Å²	144	140.6 Å²	140.6	74%	0.738	75%	0.751	S	S	*	*				-164.4	138	52.3	-69.5	173.7	0	0	0	111.5
1001	S	31.8	Very low	31.6	Very low	102 Å²	102	145.1 Å²	145.1	71%	0.713	76%	0.764	S	S	*	*			trans	44	153.4	153.3	92.9	0	0	0	0	122.3
1002	N	32.4	Very low	31.6	Very low	157 Å²	157	143.8 Å²	143.8	84%	0.84	76%	0.76	S	S	*	*			cis	-159.1	147.5	3.3	-133.3	0.1	0	0	0	109.7
1003	E	26.9	Very low	31.5	Very low	188 Å²	188	141.6 Å²	141.6	88%	0.879	76%	0.761	S	S	*	*			trans	-129.9	145	177.2	-102.5	-165.7	143	0	0	112.2
1004	K	33.4	Very low	31.6	Very low	203 Å²	203	139.1 Å²	139.1	88%	0.883	76%	0.761	S	S	*	*			trans	178.9	150.8	158.9	-106.9	168.6	-177.5	-178.4	0	111.6
1005	S	32.3	Very low	31.6	Very low	91 Å²	91	138 Å²	138	64%	0.636	76%	0.755	S	S	*	*				-170.8	128.5	-58.5	50.5	0	0	0	0	111
1006	N	31.4	Very low	32.1	Very low	147 Å²	147	136.3 Å²	136.3	79%	0.786	75%	0.75	S	S	*	*			trans	61.2	142.5	146.2	-64.6	-9.7	0	0	0	124.2
1007	T	30.7	Very low	31.8	Very low	138 Å²	138	137.3 Å²	137.3	85%	0.847	76%	0.755	S	S	*	*			trans	81.1	120.2	141.6	38	0	0	0	0	123.3
1008	C	25.2	Very low	31.8	Very low	120 Å²	120	135.4 Å²	135.4	81%	0.811	75%	0.75	S	S	*	*			trans	-79.5	-169.6	156.3	-47.4	0	0	0	0	110.1
1009	P	38.2	Very low	31.8	Very low	111 Å²	111	135.4 Å²	135.4	72%	0.721	76%	0.755	S	S	*	*			cis	-144.8	172.4	9	43.6	-23.4	0	0	0	119.4
1010	I	29	Very low	31.9	Very low	152 Å²	152	139 Å²	139	78%	0.779	76%	0.759	S	S	*	*			trans	27.9	123.2	144.1	-55.1	165.8	0	0	0	120
1011	I	28.1	Very low	31.7	Very low	171 Å²	171	139.5 Å²	139.5	88%	0.877	76%	0.764	S	S	*	*			trans	-160.9	173.3	137	-107.9	161.3	0	0	0	110.2
1012	I	30.8	Very low	31.9	Very low	137 Å²	137	140.4 Å²	140.4	70%	0.703	77%	0.768	S	S	*	*			trans	-121.9	161.5	-160.1	-62	170.4	0	0	0	112.4
1013	T	31.3	Very low	32	Very low	120 Å²	120	140.3 Å²	140.3	74%	0.736	77%	0.765	S	S	*	*			trans	82.6	124.5	158.5	17.6	0	0	0	0	121.7
1014	S	33.1	Very low	31.9	Very low	99 Å²	99	139 Å²	139	69%	0.692	76%	0.764	S	S	*	*			trans	51.1	147.6	134.6	65.3	0	0	0	0	120.6
1015	D	32.4	Very low	31.6	Very low	133 Å²	133	136.9 Å²	136.9	71%	0.711	76%	0.762	S	S	*	*			cis	-172.5	174.4	10.9	-123.3	31.5	0	0	0	108.6
1016	Q	35.6	Very low	31.3	Very low	146 Å²	146	138 Å²	138	68%	0.682	77%	0.765	S	S	*	*			cis	-161.9	-170.3	-6.4	-150.1	-171.1	95.9	0	0	108.8
1017	T	33.3	Very low	31.3	Very low	113 Å²	113	138.9 Å²	138.9	69%	0.693	77%	0.769	S	S	*	*			trans	73.3	143	167.8	76	0	0	0	0	117.6
1018	N	32.4	Very low	31.2	Very low	127 Å²	127	137 Å²	137	68%	0.679	76%	0.761	S	S	*	*			cis	-161.4	134.1	-19.3	-112.6	-18.2	0	0	0	108.8
1019	D	34	Very low	31.5	Very low	155 Å²	155	136.3 Å²	136.3	83%	0.829	76%	0.758	S	S	*	*				-172.9	176.8	116.6	-117.7	-31.6	0	0	0	113.1
1020	K	33.3	Very low	31	Very low	164 Å²	164	138.5 Å²	138.5	71%	0.713	76%	0.763	S	S	*	*			trans	-120.5	144.9	-159	-56.2	160.3	-172.8	163.7	0	113.9
1021	N	30.7	Very low	31.5	Very low	155 Å²	155	136.7 Å²	136.7	83%	0.829	76%	0.761	S	S	*	*				173.5	127.9	125.6	-89.4	-22	0	0	0	112.6
1022	P	36	Very low	31.7	Very low	122 Å²	122	137.7 Å²	137.7	79%	0.792	76%	0.762	S	S	*	*			trans	-107.6	141.2	166.5	36.5	-28	0	0	0	112.3
1023	I	33.5	Very low	31.5	Very low	154 Å²	154	136.7 Å²	136.7	79%	0.79	76%	0.762	S	S	*	*			trans	-136.9	123.6	169	-61.9	-178.3	0	0	0	110
1024	N	24.5	Very low	31.7	Very low	160 Å²	160	136.7 Å²	136.7	86%	0.856	77%	0.765	S	S	*	*			trans	-93.1	142.8	159.5	-77.7	-35.2	0	0	0	108.9
1025	L	28.6	Very low	31.5	Very low	159 Å²	159	138.9 Å²	138.9	83%	0.832	77%	0.767	S	S	*	*			trans	-154.8	157.3	156.9	-111.5	165.5	0	0	0	110.1
1026	T	26.4	Very low	31.4	Very low	114 Å²	114	138.7 Å²	138.7	70%	0.699	77%	0.774	S	S	*	*			trans	-136.3	168.4	-160.4	42.6	0	0	0	0	113.2
1027	L	29.5	Very low	31.1	Very low	167 Å²	167	138.1 Å²	138.1	87%	0.874	78%	0.776	S	S	*	*			trans	72.9	150.1	-174.6	-73.3	65.8	0	0	0	113.6
1028	S	29	Very low	31	Very low	97 Å²	97	140.8 Å²	140.8	68%	0.678	79%	0.785	S	S	*	*			cis	-147.1	154.5	12	-167.6	0	0	0	0	114.3
1029	S	31.7	Very low	31.1	Very low	106 Å²	106	143.4 Å²	143.4	74%	0.741	79%	0.79	S	S	*	*			trans	41.9	118.5	146.8	56.1	0	0	0	0	123.3
1030	N	28.7	Very low	30.9	Very low	158 Å²	158	144.2 Å²	144.2	85%	0.845	79%	0.794	S	S	*	*			trans	-43.2	175.2	148.5	-71	-3.1	0	0	0	115.8
1031	P	39.4	Very low	31.3	Very low	113 Å²	113	142.8 Å²	142.8	73%	0.734	80%	0.799	S	S	*	*			cis	-135.9	-180	-35.9	38	-22.2	0	0	0	112.9
1032	E	31	Very low	31.3	Very low	193 Å²	193	145.7 Å²	145.7	90%	0.902	80%	0.804	S	S	*	*			trans	-170.2	178.3	135.4	-115.5	170.9	-158.8	0	0	114.9
1033	V	27.5	Very low	31.6	Very low	116 Å²	116	143.3 Å²	143.3	70%	0.703	80%	0.802	S	S	*	*			trans	-118.9	138.9	-164.3	176.8	0	0	0	0	112.2	I1035	V1033-I1035 HydrophobicContact CG1-CG1 4.45Å
1034	P	34.6	Very low	31.9	Very low	120 Å²	120	149.2 Å²	149.2	78%	0.779	83%	0.826	S	S	*	*			trans	-87.9	107.1	168.5	33	-30.2	0	0	0	112
1035	I	30	Very low	32.2	Very low	145 Å²	145	148.7 Å²	148.7	74%	0.744	83%	0.825	S	S	*	*			trans	-88.4	126.9	165.4	-62.6	173.2	0	0	0	108.5	V1033 D1037	V1033-I1035 HydrophobicContact CG1-CG1 4.45Å; I1035-D1037 PolarHBondContact O-N 2.73Å
1036	C	30.2	Very low	32.4	Very low	128 Å²	128	148.2 Å²	148.2	87%	0.865	82%	0.824	S	S	*	*			trans	-98.5	80.1	177.4	-77	0	0	0	0	112.1	L1038	C1036-L1038 PolarHBondContact O-N 3.04Å
1037	D	29.3	Very low	32.8	Very low	135 Å²	135	150.1 Å²	150.1	72%	0.722	83%	0.831	S	S	*	*			trans	-77.5	112.1	169.9	-120.5	-4.4	0	0	0	110.3	I1035	I1035-D1037 PolarHBondContact O-N 2.73Å
1038	L	30.1	Very low	33	Very low	168 Å²	168	149.1 Å²	149.1	88%	0.88	83%	0.829	S	S	*	*			trans	-100.5	86.5	178.8	-162.3	79.9	0	0	0	111.6	C1036	C1036-L1038 PolarHBondContact O-N 3.04Å
1039	K	34.8	Very low	33.2	Very low	182 Å²	182	152.3 Å²	152.3	79%	0.791	84%	0.838	S	S	*	*			trans	-73	137.3	174.5	-83.5	176.4	176.9	164.5	0	112.3
1040	L	30.2	Very low	33.3	Very low	173 Å²	173	155.4 Å²	155.4	91%	0.906	84%	0.844	S	S	*	*			trans	-64	139.2	168.3	-85.9	70.3	0	0	0	111.1
1041	T	41.2	Very low	33.6	Very low	134 Å²	134	155.2 Å²	155.2	82%	0.822	84%	0.844	S	S	*	*			trans	-122.1	131.5	158.4	49	0	0	0	0	109.3
1042	K	32.3	Very low	33.2	Very low	216 Å²	216	158.5 Å²	158.5	94%	0.939	85%	0.853	S	S	*	*			trans	-75.1	143.8	170.5	-68.6	-179.6	175.5	-178.5	0	110
1043	G	41.8	Very low	33.4	Very low	71 Å²	71	155.6 Å²	155.6	73%	0.732	85%	0.849	S	S	*	*			trans	179.6	95.8	171.2	0	0	0	0	0	110.9
1044	E	38.6	Very low	33.9	Very low	279 Å²	279	159.2 Å²	159.2	100%	1.304	86%	0.862	S	S	*	*			trans	65.7	0	179.1	-55.4	-170.7	140.8	0	0	117.1

Retrieved 1,044 of 1,044 residues in 1183.1 ms (Link to these results)

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