Z4YL66_MOUSE Loading...

Chromatin-remodeling ATPase INO80

ATPase component of the INO80 complex which remodels chromatin by shifting nucleosomes and is involved in DNA repair.

AlphaFold DB , UniProt , Accession Z4YL66, Species MOUSE (Mus musculus, Mouse), Gene Ino80, Length 1,141 aa.

						>Z4YL66_MOUSE|Z4YL66|Ino80
MASELGAGDDGSSTELAKPLYLQYLERALRLDHFLRQTSAIFNRNISSDDSEDGLDDNNPLLPESGDPLIQVKEEPPNSLLGETSGASSSGLLNPYSLNGVLQSESKSDKGNLYNFSKLKKSRKWLKSILLSDESSEADSQSEDNDDEEEELSLSREELHNMLRLHKYKKLHQNKYSKDKELQQYQYYSAGLLSTYDPFYEQQRHLLGPKKKKFKEDKKLKAKLKKVKKKRRRDEEFSSEESPRHHHHQTKVFAKFSHDAPPPGTKKKHLSIEQLNARRRKVWLSIVKKELPKANKQKSSARNLFLTNSRKLAHQCMKEVRRAALQAQKNCKETLPRARRLTKEMLLYWKKYEKVEKEHRKRAEKEALEQRKLDEEMREAKRQQRKLNFLITQTELYAHFMSRKRDMGHDGIQEEILRKLEDSSTQRQIDIGGGVVVNITQEDYDSNHFKAQALKNAENAYHIHQARTRSFDEDAKESRAAALRAADKSGSGFGESYSLANPSIRAGEDIPQPTIFNGKLKGYQLKGMNWLANLYEQGINGILADEMGLGKTVQSIALLAHLAERENIWGPFLIISPASTLNNWHQEFTRFVPKFKVLPYWGNPHDRKVIRRFWSQKTLYTQDAPFHVVITSYQLVVQDVKYFQRVKWQYMVLDEAQALKSSSSVRWKILLQFQCRNRLLLTGTPIQNTMAELWALLHFIMPTLFDSHEEFNEWFSKDIESHAENKSAIDENQLSRLHMILKPFMLRRIKKDVENELSDKIEILTYCQLTSRQKLLYQALKNKISIEDLLQSSMGSTQQAQNTTSSLMNLVMQFRKVCNHPELFERQETWSPFHISLKPYEISKFIYRHGQIRVFNHSRDRWLKVLLSPFAPDYIQQSLFHRKGINEGSCFSFLRFIDVSPAEMANLMLQGLLARWLALFLSLKASYRLHQLRSWAEPDGTSHQSYLRNKDFLLGVDFPLSFPNLCSCPLLKSLVFSSHCKAVSGYSDHVVHQRRSATSSLRCCLLTELPSFLCVASPRVTAVPLDSYCNDRSAEYERGVLKEGGSLAAKQCLLNGAPELATDWLSRRSQFFPEPAGGLLSIRPQNGWSFIRIPGKESLITDSGKLYALDVLLTRLKSQGHRVLIYSQMTRMIDLLELSCR
					

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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	40.9	Very low	31	Very low	248 Å²	248	124.8 Å²	124.8	100%	1.222	80%	0.804	S	S	*	*				0	130.3	0	-61.2	166.8	177.5	0	0	107.1
2	A	30	Very low	31.1	Very low	89 Å²	89	124 Å²	124	74%	0.736	80%	0.804	S	S	*	*			cis	-164.8	163.5	-17.1	0	0	0	0	0	109.1
3	S	31.4	Very low	31	Very low	100 Å²	100	122.9 Å²	122.9	70%	0.699	80%	0.801	S	S	*	*			trans	43.1	148	147.6	-47.2	0	0	0	0	125.5
4	E	31.8	Very low	31.3	Very low	156 Å²	156	123.6 Å²	123.6	73%	0.729	80%	0.803	S	S	*	*			cis	-175.8	176.7	-34	-109.1	151.4	114.4	0	0	112
5	L	30.4	Very low	31.8	Very low	166 Å²	166	128.6 Å²	128.6	87%	0.869	81%	0.811	S	S	*	*			trans	10.4	147.2	155.4	-58.7	167	0	0	0	121.9
6	G	25	Very low	32.6	Very low	67 Å²	67	131.2 Å²	131.2	69%	0.691	82%	0.816	S	S	*	*			cis	168.6	165.2	-2.6	0	0	0	0	0	114.4
7	A	26.2	Very low	33.3	Very low	115 Å²	115	129.1 Å²	129.1	95%	0.95	81%	0.814	S	S	*	*			trans	63.5	144.7	-179.2	0	0	0	0	0	117.3
8	G	29.6	Very low	34.1	Very low	73 Å²	73	127.7 Å²	127.7	75%	0.753	79%	0.794	S	S	*	*			cis	127	141.8	1.8	0	0	0	0	0	110.9
9	D	30.8	Very low	35.4	Very low	157 Å²	157	125 Å²	125	84%	0.84	78%	0.778	S	S	*	*			cis	-170.9	146.2	-4.5	-156.8	40.9	0	0	0	105.8
10	D	32	Very low	36	Very low	146 Å²	146	124.9 Å²	124.9	78%	0.781	77%	0.771	S	S	*	*			cis	-140.6	156.3	-3.5	-169.4	5.6	0	0	0	109.5
11	G	32.8	Very low	36.5	Very low	56 Å²	56	126.6 Å²	126.6	58%	0.577	77%	0.765	S	S	*	*			trans	-83.8	147.4	-166.7	0	0	0	0	0	115.4
12	S	32.4	Very low	36.9	Very low	115 Å²	115	117.7 Å²	117.7	80%	0.804	72%	0.722	S	S	*	*			cis	77	116.5	31.5	98.5	0	0	0	0	116
13	S	29.3	Very low	38.1	Very low	110 Å²	110	117.8 Å²	117.8	77%	0.769	71%	0.707	S	S	*	*			trans	-178.8	105.4	141.9	31.3	0	0	0	0	113.5
14	T	35.2	Very low	39	Very low	133 Å²	133	121.2 Å²	121.2	82%	0.816	71%	0.706	S	S	*	*			trans	34.7	110.4	146.6	56.7	0	0	0	0	120.1	L16	T14-L16 PolarHBondContact O-N 3.26Å
15	E	38.7	Very low	39.8	Very low	198 Å²	198	117.9 Å²	117.9	93%	0.925	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-60	128.8	163.2	-61.3	-174.8	118	0	0	112.1
16	L	46	Very low	40.9	Very low	170 Å²	170	112.5 Å²	112.5	89%	0.89	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-76.8	122.5	167.6	-77.6	164.5	0	0	0	109.9	T14 K18	T14-L16 PolarHBondContact O-N 3.26Å; L16-K18 PolarHBondContact O-N 3.05Å
17	A	43.3	Very low	42.3	Very low	96 Å²	96	119.8 Å²	119.8	79%	0.793	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-56.1	128.2	-175	0	0	0	0	0	113
18	K	47.4	Very low	43.6	Very low	104 Å²	104	118.2 Å²	118.2	45%	0.452	66%	0.657	S	S	.	*	P	Polyproline II helix	trans	-57.1	134	178.9	-65.6	-170.3	-172.2	-177.1	0	111.2	L16 L20 Q23 E26	L16-K18 PolarHBondContact O-N 3.05Å; K18-L20 PolarHBondContact O-N 3.08Å; K18-Q23 HydrophobicContact CB-CG 3.95Å; K18-E26 WeakPolarHBondContact CD-OE2 3.36Å; K18-E26 IonicContact NZ-OE1 3.85Å; K18-E26 PolarHBondContact NZ-OE1 3.15Å; K18-E26 IonicContact NZ-OE2 2.68Å; K18-E26 PolarHBondContact NZ-OE2 3.26Å
19	P	59.8	Low	44.9	Very low	76 Å²	76	119.7 Å²	119.7	49%	0.494	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-56.3	137.3	173.3	-25.7	34.6	0	0	0	112.1	Y21 L22 Q23	P19-Y21 HydrophobicContact CB-CD1 4.03Å; P19-Y21 HydrophobicContact CB-CE1 4.16Å; P19-Y21 PolarHBondContact O-N 2.98Å; P19-L22 WeakPolarHBondContact O-CB 3.41Å; P19-L22 PolarHBondContact O-N 3.47Å; P19-Q23 PolarHBondContact O-N 2.93Å
20	L	47.2	Very low	45.6	Very low	122 Å²	122	121.3 Å²	121.3	64%	0.639	64%	0.641	S	S	*	*	H	α-helix	trans	-49.2	-38.2	-174.2	-84.1	161.4	0	0	0	114.3	K18 L22 Q23 Y24	K18-L20 PolarHBondContact O-N 3.08Å; L20-L22 VanDerWaalsContact C-N 3.27Å; L20-L22 PolarHBondContact O-N 2.93Å; L20-Q23 PolarHBondContact O-N 3.07Å; L20-Y24 WeakPolarHBondContact O-CD2 3.44Å; L20-Y24 PolarHBondContact O-N 3.01Å
21	Y	47	Very low	46.7	Very low	162 Å²	162	117.5 Å²	117.5	64%	0.635	62%	0.62	S	S	*	*	H	α-helix	trans	-64.8	-30.1	179.8	92	-90.7	0	0	0	113.1	P19 L25	P19-Y21 HydrophobicContact CB-CD1 4.03Å; P19-Y21 HydrophobicContact CB-CE1 4.16Å; P19-Y21 PolarHBondContact O-N 2.98Å; Y21-L25 VanDerWaalsContact O-CB 3.31Å; Y21-L25 WeakPolarHBondContact O-CB 3.29Å; Y21-L25 PolarHBondContact O-N 3.33Å; Y21-L25 VanDerWaalsContact O-N 3.13Å
22	L	49.2	Very low	47.7	Very low	61 Å²	61	119 Å²	119	32%	0.319	62%	0.615	S	S	.	*	H	α-helix	trans	-73.5	-42.2	174.9	-97.1	161.8	0	0	0	111	P19 L20 Y24 L25 E26	P19-L22 WeakPolarHBondContact O-CB 3.41Å; P19-L22 PolarHBondContact O-N 3.47Å; L20-L22 VanDerWaalsContact C-N 3.27Å; L20-L22 PolarHBondContact O-N 2.93Å; L22-Y24 VanDerWaalsContact C-N 3.32Å; L22-Y24 PolarHBondContact O-N 3.38Å; L22-L25 PolarHBondContact O-N 3.26Å; L22-E26 WeakPolarHBondContact O-CG 3.42Å; L22-E26 PolarHBondContact O-N 2.84Å
23	Q	55.1	Low	48.5	Very low	91 Å²	91	119.7 Å²	119.7	43%	0.425	61%	0.605	S	S	.	*	H	α-helix	trans	-60.5	-41	174.2	-66.4	-179.2	-21.7	0	0	111.9	K18 P19 L20 L25 R27	K18-Q23 HydrophobicContact CB-CG 3.95Å; P19-Q23 PolarHBondContact O-N 2.93Å; L20-Q23 PolarHBondContact O-N 3.07Å; Q23-L25 VanDerWaalsContact C-N 3.32Å; Q23-L25 PolarHBondContact O-N 3.14Å; Q23-R27 WeakPolarHBondContact O-CB 3.2Å; Q23-R27 PolarHBondContact O-N 3.15Å
24	Y	50	Low	49.5	Very low	172 Å²	172	120.4 Å²	120.4	68%	0.675	60%	0.595	S	S	*	*	H	α-helix	trans	-64.1	-34.7	173	-90.1	-76.5	0	0	0	112.9	L20 L22 A28	L20-Y24 WeakPolarHBondContact O-CD2 3.44Å; L20-Y24 PolarHBondContact O-N 3.01Å; L22-Y24 VanDerWaalsContact C-N 3.32Å; L22-Y24 PolarHBondContact O-N 3.38Å; Y24-A28 WeakPolarHBondContact O-CB 3.34Å; Y24-A28 PolarHBondContact O-N 2.88Å
25	L	49.1	Very low	50.5	Low	86 Å²	86	118.3 Å²	118.3	45%	0.45	58%	0.578	S	S	.	*	H	α-helix	trans	-79.3	-37.4	-177.4	-162.2	149.8	0	0	0	112.3	Y21 L22 Q23 L29	Y21-L25 VanDerWaalsContact O-CB 3.31Å; Y21-L25 WeakPolarHBondContact O-CB 3.29Å; Y21-L25 PolarHBondContact O-N 3.33Å; Y21-L25 VanDerWaalsContact O-N 3.13Å; L22-L25 PolarHBondContact O-N 3.26Å; Q23-L25 VanDerWaalsContact C-N 3.32Å; Q23-L25 PolarHBondContact O-N 3.14Å; L25-L29 HydrophobicContact CD2-CD1 3.7Å; L25-L29 HydrophobicContact CG-CD1 4.41Å; L25-L29 WeakPolarHBondContact O-CB 3.47Å; L25-L29 WeakPolarHBondContact O-CG 3.49Å; L25-L29 PolarHBondContact O-N 3.44Å
26	E	52.8	Low	51.5	Low	53 Å²	53	118.1 Å²	118.1	25%	0.248	57%	0.569	C	S	.	*	H	α-helix	trans	-62.1	-49.8	169.9	-70.5	172.6	164.8	0	0	110.5	K18 L22 A28 L29 R30	K18-E26 WeakPolarHBondContact CD-OE2 3.36Å; K18-E26 IonicContact NZ-OE1 3.85Å; K18-E26 PolarHBondContact NZ-OE1 3.15Å; K18-E26 IonicContact NZ-OE2 2.68Å; K18-E26 PolarHBondContact NZ-OE2 3.26Å; L22-E26 WeakPolarHBondContact O-CG 3.42Å; L22-E26 PolarHBondContact O-N 2.84Å; E26-A28 VanDerWaalsContact C-N 3.31Å; E26-A28 PolarHBondContact O-N 2.95Å; E26-L29 PolarHBondContact O-N 3.39Å; E26-R30 PolarHBondContact O-N 3.47Å; E26-R30 VanDerWaalsContact O-N 3.12Å
27	R	54.4	Low	51.7	Low	220 Å²	220	114.9 Å²	114.9	83%	0.83	55%	0.549	S	S	*	.	H	α-helix	trans	-66.9	-27.3	-179.4	-159.1	173.8	-164.2	167.3	4.6	113.5	Q23	Q23-R27 WeakPolarHBondContact O-CB 3.2Å; Q23-R27 PolarHBondContact O-N 3.15Å
28	A	54.5	Low	52.1	Low	82 Å²	82	112.3 Å²	112.3	68%	0.678	52%	0.524	S	S	*	.	H	α-helix	trans	-81.2	-19.4	175.5	0	0	0	0	0	114.2	Y24 E26	Y24-A28 WeakPolarHBondContact O-CB 3.34Å; Y24-A28 PolarHBondContact O-N 2.88Å; E26-A28 VanDerWaalsContact C-N 3.31Å; E26-A28 PolarHBondContact O-N 2.95Å
29	L	55	Low	52.2	Low	103 Å²	103	110.4 Å²	110.4	54%	0.539	52%	0.523	S	S	.	.	H	α-helix	trans	-111.2	-5.5	-175.9	-62.9	179.1	0	0	0	114.5	L25 E26 L31	L25-L29 HydrophobicContact CD2-CD1 3.7Å; L25-L29 HydrophobicContact CG-CD1 4.41Å; L25-L29 WeakPolarHBondContact O-CB 3.47Å; L25-L29 WeakPolarHBondContact O-CG 3.49Å; L25-L29 PolarHBondContact O-N 3.44Å; E26-L29 PolarHBondContact O-N 3.39Å; L29-L31 HydrophobicContact CB-CD1 3.8Å; L29-L31 HydrophobicContact CB-CG 3.75Å; L29-L31 HydrophobicContact CD1-CD1 3.91Å; L29-L31 PolarHBondContact O-N 3.31Å; L29-L31 VanDerWaalsContact O-N 3.16Å
30	R	47	Very low	51.9	Low	192 Å²	192	109.6 Å²	109.6	73%	0.725	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	37.2	-179.2	-73.7	-173.2	170.9	178.4	-1.8	113.4	E26 D32 E181	E26-R30 PolarHBondContact O-N 3.47Å; E26-R30 VanDerWaalsContact O-N 3.12Å; R30-D32 VanDerWaalsContact C-N 3.29Å; R30-D32 PolarHBondContact O-N 3Å; R30-E181 IonicContact NH1-OE1 3.18Å
31	L	53.8	Low	52.2	Low	65 Å²	65	109.5 Å²	109.5	34%	0.34	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-11.8	-171.6	-74	168.3	0	0	0	114.7	L29 H33 F34 L35	L29-L31 HydrophobicContact CB-CD1 3.8Å; L29-L31 HydrophobicContact CB-CG 3.75Å; L29-L31 HydrophobicContact CD1-CD1 3.91Å; L29-L31 PolarHBondContact O-N 3.31Å; L29-L31 VanDerWaalsContact O-N 3.16Å; L31-H33 VanDerWaalsContact C-N 3.28Å; L31-H33 PolarHBondContact O-N 3.31Å; L31-F34 HydrophobicContact CD2-CD1 4.42Å; L31-F34 WeakPolarHBondContact O-CA 3.02Å; L31-F34 WeakPolarHBondContact O-CB 2.99Å; L31-F34 PolarHBondContact O-N 2.84Å; L31-L35 HydrophobicContact CB-CD1 4.08Å; L31-L35 PolarHBondContact O-N 3.02Å
32	D	53.7	Low	52.3	Low	88 Å²	88	110.3 Å²	110.3	47%	0.471	53%	0.529	S	S	.	.	H	α-helix	trans	-58.1	-36.6	-174.6	-55.3	-56.1	0	0	0	113.4	R30 R36	R30-D32 VanDerWaalsContact C-N 3.29Å; R30-D32 PolarHBondContact O-N 3Å; D32-R36 WeakPolarHBondContact O-CB 3.4Å; D32-R36 VanDerWaalsContact O-CG 3.29Å; D32-R36 WeakPolarHBondContact O-CG 3.29Å; D32-R36 PolarHBondContact O-N 3.33Å
33	H	49.4	Very low	52.5	Low	129 Å²	129	114 Å²	114	60%	0.597	55%	0.549	S	S	*	.	H	α-helix	trans	-69.6	-37.9	176.5	-161.9	-69.2	0	0	0	111.9	L31 Q37	L31-H33 VanDerWaalsContact C-N 3.28Å; L31-H33 PolarHBondContact O-N 3.31Å; H33-Q37 VanDerWaalsContact CE1-CD 3.47Å; H33-Q37 PolarHBondContact CE1-OE1 2.96Å; H33-Q37 PolarHBondContact ND1-OE1 2.82Å; H33-Q37 WeakPolarHBondContact O-CB 3.48Å; H33-Q37 WeakPolarHBondContact O-CG 3.5Å; H33-Q37 PolarHBondContact O-N 3.09Å
34	F	51.6	Low	52.1	Low	125 Å²	125	119.7 Å²	119.7	55%	0.548	57%	0.567	S	S	.	*	H	α-helix	trans	-67.9	-46.4	176.7	179	-103	0	0	0	110.9	L31 Q37 T38	L31-F34 HydrophobicContact CD2-CD1 4.42Å; L31-F34 WeakPolarHBondContact O-CA 3.02Å; L31-F34 WeakPolarHBondContact O-CB 2.99Å; L31-F34 PolarHBondContact O-N 2.84Å; F34-Q37 PolarHBondContact O-N 2.95Å; F34-T38 HydrophobicContact CD1-CG2 4.42Å; F34-T38 HydrophobicContact CD2-CG2 4.49Å; F34-T38 HydrophobicContact CE1-CG2 4.03Å; F34-T38 HydrophobicContact CE2-CG2 4.11Å; F34-T38 HydrophobicContact CZ-CG2 3.86Å; F34-T38 WeakPolarHBondContact O-CG2 3.14Å; F34-T38 PolarHBondContact O-N 3.44Å; F34-T38 PolarHBondContact O-OG1 3.07Å
35	L	56.5	Low	51.4	Low	89 Å²	89	119.5 Å²	119.5	47%	0.466	58%	0.577	S	S	.	*	H	α-helix	trans	-57.6	-51.3	174.8	-87.9	124.1	0	0	0	111.3	L31 Q37 T38 S39	L31-L35 HydrophobicContact CB-CD1 4.08Å; L31-L35 PolarHBondContact O-N 3.02Å; L35-Q37 VanDerWaalsContact C-N 3.33Å; L35-Q37 PolarHBondContact O-N 3.4Å; L35-T38 WeakPolarHBondContact CA-OG1 3.34Å; L35-T38 PolarHBondContact O-N 3.37Å; L35-T38 VanDerWaalsContact O-N 3.1Å; L35-T38 PolarHBondContact O-OG1 3.31Å; L35-S39 PolarHBondContact O-N 2.89Å; L35-S39 PolarHBondContact O-OG 3.22Å
36	R	59.8	Low	50.8	Low	195 Å²	195	123.8 Å²	123.8	74%	0.736	60%	0.599	S	S	*	*	H	α-helix	trans	-58.6	-40	178.7	-75.6	176.1	176.1	-175.8	-1.3	113.2	D32 S39 A40	D32-R36 WeakPolarHBondContact O-CB 3.4Å; D32-R36 VanDerWaalsContact O-CG 3.29Å; D32-R36 WeakPolarHBondContact O-CG 3.29Å; D32-R36 PolarHBondContact O-N 3.33Å; R36-S39 PolarHBondContact O-OG 3.31Å; R36-A40 WeakPolarHBondContact O-CB 3.2Å; R36-A40 PolarHBondContact O-N 3.39Å; R36-A40 VanDerWaalsContact O-N 3.11Å
37	Q	49	Very low	49.7	Very low	102 Å²	102	126 Å²	126	48%	0.477	62%	0.621	S	S	.	*	H	α-helix	trans	-67.8	-42.9	173.6	-77	-178.2	-61.2	0	0	112	H33 F34 L35 S39 A40 I41	H33-Q37 VanDerWaalsContact CE1-CD 3.47Å; H33-Q37 PolarHBondContact CE1-OE1 2.96Å; H33-Q37 PolarHBondContact ND1-OE1 2.82Å; H33-Q37 WeakPolarHBondContact O-CB 3.48Å; H33-Q37 WeakPolarHBondContact O-CG 3.5Å; H33-Q37 PolarHBondContact O-N 3.09Å; F34-Q37 PolarHBondContact O-N 2.95Å; L35-Q37 VanDerWaalsContact C-N 3.33Å; L35-Q37 PolarHBondContact O-N 3.4Å; Q37-S39 PolarHBondContact O-N 2.9Å; Q37-A40 PolarHBondContact O-N 3.13Å; Q37-I41 WeakPolarHBondContact O-CB 3.4Å; Q37-I41 WeakPolarHBondContact O-CD1 3.25Å; Q37-I41 WeakPolarHBondContact O-CG1 3.33Å; Q37-I41 PolarHBondContact O-N 2.8Å
38	T	51.6	Low	48.6	Very low	42 Å²	42	119.9 Å²	119.9	26%	0.258	61%	0.611	S	S	.	*	H	α-helix	trans	-63.5	-40	178	54.8	0	0	0	0	112.7	F34 L35 A40 I41 F42	F34-T38 HydrophobicContact CD1-CG2 4.42Å; F34-T38 HydrophobicContact CD2-CG2 4.49Å; F34-T38 HydrophobicContact CE1-CG2 4.03Å; F34-T38 HydrophobicContact CE2-CG2 4.11Å; F34-T38 HydrophobicContact CZ-CG2 3.86Å; F34-T38 WeakPolarHBondContact O-CG2 3.14Å; F34-T38 PolarHBondContact O-N 3.44Å; F34-T38 PolarHBondContact O-OG1 3.07Å; L35-T38 WeakPolarHBondContact CA-OG1 3.34Å; L35-T38 PolarHBondContact O-N 3.37Å; L35-T38 VanDerWaalsContact O-N 3.1Å; L35-T38 PolarHBondContact O-OG1 3.31Å; T38-A40 PolarHBondContact O-N 3.06Å; T38-I41 PolarHBondContact O-N 2.93Å; T38-F42 WeakPolarHBondContact O-CD2 3.18Å; T38-F42 PolarHBondContact O-N 2.08Å
39	S	49.4	Very low	47.4	Very low	63 Å²	63	123 Å²	123	44%	0.441	62%	0.617	S	S	.	*	H	α-helix	trans	-66.4	-35.8	174.4	54.7	0	0	0	0	112.8	L35 R36 Q37 I41 N43	L35-S39 PolarHBondContact O-N 2.89Å; L35-S39 PolarHBondContact O-OG 3.22Å; R36-S39 PolarHBondContact O-OG 3.31Å; Q37-S39 PolarHBondContact O-N 2.9Å; S39-I41 VanDerWaalsContact C-N 3.33Å; S39-N43 WeakPolarHBondContact O-CB 3.33Å; S39-N43 VanDerWaalsContact O-CG 3.3Å; S39-N43 PolarHBondContact O-N 2.99Å
40	A	53.8	Low	46.3	Very low	60 Å²	60	125.6 Å²	125.6	50%	0.496	63%	0.631	S	S	.	*	H	α-helix	trans	-71.8	-26	175.5	0	0	0	0	0	113.4	R36 Q37 T38	R36-A40 WeakPolarHBondContact O-CB 3.2Å; R36-A40 PolarHBondContact O-N 3.39Å; R36-A40 VanDerWaalsContact O-N 3.11Å; Q37-A40 PolarHBondContact O-N 3.13Å; T38-A40 PolarHBondContact O-N 3.06Å
41	I	53.7	Low	45.5	Very low	120 Å²	120	121.4 Å²	121.4	62%	0.615	63%	0.631	S	S	*	*	H	α-helix	trans	-83.7	-43.2	178.1	-70.2	164.2	0	0	0	111.3	Q37 T38 S39 N43	Q37-I41 WeakPolarHBondContact O-CB 3.4Å; Q37-I41 WeakPolarHBondContact O-CD1 3.25Å; Q37-I41 WeakPolarHBondContact O-CG1 3.33Å; Q37-I41 PolarHBondContact O-N 2.8Å; T38-I41 PolarHBondContact O-N 2.93Å; S39-I41 VanDerWaalsContact C-N 3.33Å; I41-N43 VanDerWaalsContact C-N 3.28Å; I41-N43 PolarHBondContact O-N 3.23Å
42	F	48.5	Very low	44.4	Very low	178 Å²	178	126.6 Å²	126.6	78%	0.781	65%	0.654	S	S	*	*	H	α-helix	trans	-70.6	-21.1	179.4	-88.3	-75.1	0	0	0	114	T38	T38-F42 WeakPolarHBondContact O-CD2 3.18Å; T38-F42 PolarHBondContact O-N 2.08Å
43	N	52.9	Low	43.3	Very low	138 Å²	138	130.2 Å²	130.2	74%	0.738	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	15.3	-179.5	-67	2.8	0	0	0	114	S39 I41	S39-N43 WeakPolarHBondContact O-CB 3.33Å; S39-N43 VanDerWaalsContact O-CG 3.3Å; S39-N43 PolarHBondContact O-N 2.99Å; I41-N43 VanDerWaalsContact C-N 3.28Å; I41-N43 PolarHBondContact O-N 3.23Å
44	R	48	Very low	42.3	Very low	212 Å²	212	127.8 Å²	127.8	80%	0.8	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-103.5	120	174.2	-84.8	-175.7	165.9	-166.9	-5.5	111.5
45	N	34.3	Very low	41.1	Very low	167 Å²	167	129.9 Å²	129.9	89%	0.893	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-68.9	154.9	171.7	-70.7	-21.8	0	0	0	111.4
46	I	37.1	Very low	39.7	Very low	176 Å²	176	132.3 Å²	132.3	90%	0.903	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-90	125.1	-176	-61.9	168.2	0	0	0	109.9
47	S	30.6	Very low	38.3	Very low	101 Å²	101	129.1 Å²	129.1	71%	0.706	71%	0.71	S	S	*	*			trans	-159.1	142.5	165.6	-173	0	0	0	0	112.1
48	S	29.5	Very low	37.3	Very low	90 Å²	90	130.6 Å²	130.6	63%	0.629	72%	0.721	S	S	*	*			trans	45.4	104	150.1	56.5	0	0	0	0	120.7
49	D	30.4	Very low	36.1	Very low	149 Å²	149	133.4 Å²	133.4	80%	0.797	73%	0.734	S	S	*	*				46.9	141.8	119.3	-51.1	-18.5	0	0	0	123.2
50	D	31.2	Very low	35.9	Very low	156 Å²	156	135.8 Å²	135.8	83%	0.834	75%	0.748	S	S	*	*			trans	42	142.7	135.8	-67.7	1.7	0	0	0	122.2
51	S	30.6	Very low	34.6	Very low	104 Å²	104	136.9 Å²	136.9	73%	0.727	75%	0.745	S	S	*	*			cis	-162.4	172.5	0.9	48.7	0	0	0	0	113.2
52	E	31	Very low	33.4	Very low	174 Å²	174	138.8 Å²	138.8	81%	0.813	76%	0.756	S	S	*	*			trans	50.3	129	158.1	-67.8	-166.6	160.3	0	0	125.2
53	D	29.7	Very low	32.9	Very low	164 Å²	164	135.1 Å²	135.1	88%	0.877	75%	0.75	S	S	*	*			trans	55	143	136.2	-72.9	19.3	0	0	0	125.7
54	G	28.3	Very low	31.9	Very low	78 Å²	78	137.3 Å²	137.3	80%	0.804	76%	0.756	S	S	*	*			trans	169.7	125.7	174.4	0	0	0	0	0	113.8
55	L	27.8	Very low	31.1	Very low	170 Å²	170	132.9 Å²	132.9	89%	0.89	76%	0.757	S	S	*	*			trans	-78.2	170.8	176.4	-57.1	165.1	0	0	0	111.1
56	D	27.4	Very low	30.8	Very low	140 Å²	140	128.2 Å²	128.2	75%	0.749	75%	0.749	S	S	*	*			cis	-154.8	171.3	-9.1	-144.5	-35.5	0	0	0	107.9
57	D	28.7	Very low	30.3	Very low	127 Å²	127	127.4 Å²	127.4	68%	0.679	75%	0.746	S	S	*	*			trans	-164.8	131.3	162.6	-147.1	-12.3	0	0	0	119.7
58	N	28.1	Very low	31.1	Very low	134 Å²	134	127.6 Å²	127.6	72%	0.717	75%	0.745	S	S	*	*			trans	-135.7	118.2	162.2	-85.9	-49.2	0	0	0	109.1
59	N	27.3	Very low	31	Very low	100 Å²	100	130.5 Å²	130.5	54%	0.535	75%	0.753	S	S	.	*				61	145.7	94.9	-96.7	40.7	0	0	0	116.2	K178	N59-K178 WeakPolarHBondContact OD1-CD 3.37Å; N59-K178 WeakPolarHBondContact OD1-CE 3.46Å; N59-K178 PolarHBondContact OD1-NZ 2.66Å
60	P	44.5	Very low	31	Very low	113 Å²	113	129.3 Å²	129.3	73%	0.734	75%	0.745	S	S	*	*			cis	-143.2	-161.8	-7	40.8	-18.4	0	0	0	115.6
61	L	28.1	Very low	30.7	Very low	83 Å²	83	130 Å²	130	44%	0.435	74%	0.743	S	S	.	*			trans	-46.3	155.3	158.8	-80.6	150.3	0	0	0	113.9	K180	L61-K180 HydrophobicContact CD2-CD 4.28Å; L61-K180 VanDerWaalsContact CD2-CE 3.47Å
62	L	28	Very low	30.4	Very low	160 Å²	160	130.6 Å²	130.6	84%	0.838	74%	0.742	S	S	*	*			cis	-156.8	-168.4	49.5	-106.9	-176.7	0	0	0	110.6
63	P	38.2	Very low	30.1	Very low	101 Å²	101	130 Å²	130	66%	0.656	74%	0.737	S	S	*	*			trans	-104.3	176.1	-159.1	42.9	-40.9	0	0	0	118.4
64	E	31.7	Very low	29.9	Very low	185 Å²	185	129.4 Å²	129.4	86%	0.864	73%	0.729	S	S	*	*			trans	15.2	140.8	147.4	-65.1	171.2	-178.2	0	0	120.6
65	S	30.9	Very low	29.7	Very low	118 Å²	118	134.1 Å²	134.1	83%	0.825	73%	0.73	S	S	*	*			cis	-171.7	156.7	-9.1	55.2	0	0	0	0	109.7
66	G	27.1	Very low	30.2	Very low	69 Å²	69	131.2 Å²	131.2	71%	0.711	72%	0.721	S	S	*	*			trans	118.7	77.6	158.4	0	0	0	0	0	118
67	D	28.3	Very low	30.9	Very low	160 Å²	160	129.4 Å²	129.4	86%	0.856	72%	0.717	S	S	*	*			trans	69.3	158.6	132.7	-95.3	34.3	0	0	0	121.2
68	P	47.5	Very low	30.7	Very low	104 Å²	104	130.4 Å²	130.4	68%	0.675	72%	0.722	S	S	*	*				-133.7	-175	-117.1	40.9	-23.5	0	0	0	114.5
69	L	27.4	Very low	30.6	Very low	151 Å²	151	128.5 Å²	128.5	79%	0.791	72%	0.72	S	S	*	*			trans	-175.7	117.4	138.8	-99.3	159.5	0	0	0	113.2
70	I	28.7	Very low	30.5	Very low	125 Å²	125	131 Å²	131	64%	0.641	73%	0.732	S	S	*	*			trans	62	121.3	133.4	-81.1	-179.3	0	0	0	122.5
71	Q	26.1	Very low	29.8	Very low	170 Å²	170	133.5 Å²	133.5	79%	0.794	74%	0.739	S	S	*	*			trans	68.9	154.4	147.1	-73.3	171.9	16.2	0	0	121.2
72	V	23.7	Very low	29.8	Very low	117 Å²	117	132.7 Å²	132.7	71%	0.709	75%	0.751	S	S	*	*			cis	-177.5	154.6	-37.1	120.5	0	0	0	0	108.3
73	K	25.2	Very low	29.8	Very low	162 Å²	162	133 Å²	133	70%	0.704	75%	0.748	S	S	*	*			trans	66	158.3	168.2	-89.7	-179.5	-179	-76.8	0	116.1
74	E	25.7	Very low	29.4	Very low	150 Å²	150	133 Å²	133	70%	0.701	75%	0.746	S	S	*	*			cis	-153.4	-161.5	-22.1	-149.6	149.3	-134.1	0	0	111.3
75	E	24.3	Very low	29.2	Very low	178 Å²	178	130 Å²	130	83%	0.832	75%	0.745	S	S	*	*			trans	-84.7	-175.3	-161.5	-104.4	-165.7	174.8	0	0	116.4
76	P	36.6	Very low	29	Very low	108 Å²	108	127.7 Å²	127.7	70%	0.701	74%	0.74	S	S	*	*			trans	-90.7	-145.8	-166.3	42.4	-40.9	0	0	0	111.8
77	P	42	Very low	29.2	Very low	102 Å²	102	129.6 Å²	129.6	66%	0.662	75%	0.749	S	S	*	*			cis	-142.4	-169.8	-4.9	38.7	-16	0	0	0	117.8
78	N	25.8	Very low	29.1	Very low	148 Å²	148	127.2 Å²	127.2	79%	0.791	75%	0.745	S	S	*	*			trans	90.9	147.9	141.4	-83.9	-14.5	0	0	0	123.5
79	S	25.3	Very low	28.2	Very low	95 Å²	95	126.8 Å²	126.8	66%	0.664	75%	0.745	S	S	*	*			trans	66.2	108.6	145.1	54.3	0	0	0	0	123.5
80	L	26.4	Very low	28.3	Very low	152 Å²	152	125.6 Å²	125.6	80%	0.796	75%	0.749	S	S	*	*				69.3	128.8	116.3	-65.9	168.2	0	0	0	123.5
81	L	28.9	Very low	28.2	Very low	166 Å²	166	122.7 Å²	122.7	87%	0.869	75%	0.75	S	S	*	*			trans	78.2	141.3	136.2	-69	166.7	0	0	0	122.9
82	G	27.9	Very low	28.4	Very low	66 Å²	66	122.3 Å²	122.3	68%	0.68	75%	0.753	S	S	*	*			trans	79.6	165.1	165.7	0	0	0	0	0	117.1
83	E	28.7	Very low	28.6	Very low	167 Å²	167	124.1 Å²	124.1	78%	0.78	76%	0.757	S	S	*	*			cis	-174.4	157.2	-14.8	-109.5	-50.6	81.2	0	0	107.2
84	T	28.9	Very low	28.5	Very low	101 Å²	101	123.2 Å²	123.2	62%	0.62	76%	0.76	S	S	*	*			cis	-150.3	-178.8	-1.9	-45.1	0	0	0	0	108.7
85	S	27.6	Very low	29.2	Very low	120 Å²	120	120.6 Å²	120.6	84%	0.839	76%	0.756	S	S	*	*			trans	82.7	140.7	155.8	79.9	0	0	0	0	119.7
86	G	26.8	Very low	29.3	Very low	70 Å²	70	122.8 Å²	122.8	72%	0.722	76%	0.759	S	S	*	*			cis	176.8	143.2	-12.3	0	0	0	0	0	115.4
87	A	31.6	Very low	28.8	Very low	109 Å²	109	123.2 Å²	123.2	90%	0.901	76%	0.764	S	S	*	*			trans	59.7	149.8	168.2	0	0	0	0	0	117.8
88	S	27	Very low	28.2	Very low	111 Å²	111	125.3 Å²	125.3	78%	0.776	77%	0.769	S	S	*	*			cis	-154.1	171.1	8.7	57.6	0	0	0	0	109.4
89	S	28.4	Very low	28.3	Very low	95 Å²	95	126 Å²	126	66%	0.664	77%	0.773	S	S	*	*			cis	-170.5	155.7	-26.7	50.3	0	0	0	0	109.5
90	S	28.3	Very low	28.4	Very low	125 Å²	125	125 Å²	125	87%	0.874	78%	0.777	S	S	*	*			trans	58.1	135	166.2	58.4	0	0	0	0	119.4
91	G	27	Very low	28.5	Very low	65 Å²	65	124 Å²	124	67%	0.67	78%	0.777	S	S	*	*			cis	171.3	163.7	-7.8	0	0	0	0	0	113.2
92	L	29.7	Very low	28.6	Very low	162 Å²	162	123.4 Å²	123.4	85%	0.848	77%	0.774	S	S	*	*			trans	39.7	129.1	133.6	-63.6	165.3	0	0	0	118.6
93	L	28	Very low	28.9	Very low	154 Å²	154	129.4 Å²	129.4	81%	0.806	78%	0.784	S	S	*	*			cis	-160	170.7	24.7	-107.4	156.2	0	0	0	114.3
94	N	23.9	Very low	29.4	Very low	144 Å²	144	127.2 Å²	127.2	77%	0.77	79%	0.787	S	S	*	*			trans	-77	-173.7	168.5	-86.4	-14.2	0	0	0	112.6
95	P	40.8	Very low	29.8	Very low	95 Å²	95	131.1 Å²	131.1	62%	0.617	80%	0.799	S	S	*	*			cis	-140	-177.2	-27.9	28.3	-4.7	0	0	0	116.3
96	Y	26.3	Very low	31	Very low	224 Å²	224	129 Å²	129	88%	0.878	78%	0.784	S	S	*	*			trans	81.4	134.5	149.1	-67.7	-54.5	0	0	0	125
97	S	26	Very low	32.3	Very low	116 Å²	116	134.4 Å²	134.4	81%	0.811	79%	0.788	S	S	*	*			trans	102.7	151.4	140.3	-142.3	0	0	0	0	121
98	L	28.2	Very low	33.5	Very low	146 Å²	146	132.1 Å²	132.1	76%	0.764	77%	0.765	S	S	*	*			trans	-80.5	137.4	-166.4	-83.9	62.6	0	0	0	114.1
99	N	28.6	Very low	34.7	Very low	164 Å²	164	130.3 Å²	130.3	88%	0.877	75%	0.747	S	S	*	*				149.6	143.2	123.3	-80.6	-37.7	0	0	0	111.2
100	G	27.3	Very low	36.2	Very low	74 Å²	74	130.2 Å²	130.2	76%	0.763	73%	0.734	S	S	*	*			trans	135.7	96	165.6	0	0	0	0	0	117
101	V	27.6	Very low	37.6	Very low	131 Å²	131	125.6 Å²	125.6	79%	0.794	71%	0.706	S	S	*	*			trans	11.6	121.8	135.9	-177.7	0	0	0	0	118.8
102	L	32.6	Very low	39.1	Very low	153 Å²	153	128.4 Å²	128.4	80%	0.801	71%	0.706	S	S	*	*			trans	52.9	114.3	153	-65.7	167.3	0	0	0	120.5
103	Q	34.6	Very low	40.3	Very low	192 Å²	192	127.2 Å²	127.2	90%	0.897	70%	0.699	S	S	*	*				-156.9	156.2	112.8	-114.4	156	92.2	0	0	112.6
104	S	37.5	Very low	41.8	Very low	120 Å²	120	125.5 Å²	125.5	84%	0.839	68%	0.683	S	S	*	*			trans	-98.9	111.6	-176.3	40.2	0	0	0	0	111.8
105	E	37.2	Very low	43.4	Very low	184 Å²	184	124.9 Å²	124.9	86%	0.86	68%	0.68	S	S	*	*			trans	-75	156.8	178.4	-67.4	-168	140.4	0	0	113.5
106	S	54.7	Low	44.6	Very low	76 Å²	76	122 Å²	122	53%	0.531	66%	0.658	S	S	.	*			trans	-81.1	153.7	-170.5	162.8	0	0	0	0	113.5	S108 D109	S106-S108 VanDerWaalsContact CB-OG 3.22Å; S106-S108 WeakPolarHBondContact CB-OG 3.24Å; S106-S108 PolarHBondContact O-N 3.2Å; S106-S108 PolarHBondContact OG-N 3.12Å; S106-S108 PolarHBondContact OG-OG 3.49Å; S106-D109 PolarHBondContact O-N 2.98Å
107	K	52.7	Low	46.3	Very low	183 Å²	183	115.9 Å²	115.9	80%	0.796	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-3.9	173.6	-66.8	-175.2	176.8	-178.7	0	114.3
108	S	56.4	Low	47.6	Very low	61 Å²	61	119.3 Å²	119.3	43%	0.427	65%	0.648	S	S	.	*	T	Hydrogen-bonded Turn	trans	-61.2	-46.3	170	30.9	0	0	0	0	112.4	S106 G111	S106-S108 VanDerWaalsContact CB-OG 3.22Å; S106-S108 WeakPolarHBondContact CB-OG 3.24Å; S106-S108 PolarHBondContact O-N 3.2Å; S106-S108 PolarHBondContact OG-N 3.12Å; S106-S108 PolarHBondContact OG-OG 3.49Å; S108-G111 VanDerWaalsContact O-CA 3.31Å; S108-G111 WeakPolarHBondContact O-CA 3.34Å; S108-G111 PolarHBondContact O-N 3.06Å
109	D	54	Low	49.1	Very low	73 Å²	73	115 Å²	115	39%	0.39	63%	0.625	S	S	.	*	G	3₁₀ helix	trans	-91.6	-24.7	-154.7	-62.3	-72	0	0	0	113.7	S106 G111 N112	S106-D109 PolarHBondContact O-N 2.98Å; D109-G111 PolarHBondContact O-N 3.2Å; D109-G111 VanDerWaalsContact O-N 3.17Å; D109-N112 WeakPolarHBondContact O-CB 3.28Å; D109-N112 PolarHBondContact O-N 2.95Å; D109-N112 PolarHBondContact OD1-ND2 2.69Å
110	K	58.5	Low	50.4	Low	93 Å²	93	115.2 Å²	115.2	40%	0.404	62%	0.618	S	S	.	*	G	3₁₀ helix	trans	-60.6	-18.6	158.9	-70.6	-178.9	178.1	172.7	0	112.8	N112 L131 D133	K110-N112 VanDerWaalsContact C-N 3.35Å; K110-L131 HydrophobicContact CB-CD2 4.07Å; K110-L131 WeakPolarHBondContact O-CD2 3.43Å; K110-D133 IonicContact NZ-OD1 2.68Å; K110-D133 PolarHBondContact NZ-OD1 3.42Å; K110-D133 IonicContact NZ-OD2 2.7Å; K110-D133 PolarHBondContact NZ-OD2 2.92Å
111	G	58.5	Low	52	Low	27 Å²	27	120.7 Å²	120.7	28%	0.278	62%	0.621	S	S	.	*	G	3₁₀ helix	trans	-71	-25.1	169.7	0	0	0	0	0	114.4	S108 D109	S108-G111 VanDerWaalsContact O-CA 3.31Å; S108-G111 WeakPolarHBondContact O-CA 3.34Å; S108-G111 PolarHBondContact O-N 3.06Å; D109-G111 PolarHBondContact O-N 3.2Å; D109-G111 VanDerWaalsContact O-N 3.17Å
112	N	57.9	Low	53.1	Low	125 Å²	125	119 Å²	119	67%	0.668	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-27.5	-176.8	-64.8	-33.2	0	0	0	112.6	D109 K110 Y114	D109-N112 WeakPolarHBondContact O-CB 3.28Å; D109-N112 PolarHBondContact O-N 2.95Å; D109-N112 PolarHBondContact OD1-ND2 2.69Å; K110-N112 VanDerWaalsContact C-N 3.35Å; N112-Y114 PolarHBondContact O-N 3.35Å
113	L	55.9	Low	54.2	Low	136 Å²	136	117.5 Å²	117.5	71%	0.712	60%	0.598	S	S	*	*	S	Bend	trans	-66.1	-15.7	178.1	-82.3	157.3	0	0	0	114.9
114	Y	58.2	Low	55.7	Low	118 Å²	118	115.1 Å²	115.1	46%	0.463	59%	0.585	S	S	.	*	S	Bend	trans	-132.5	116.8	-176.8	-64.6	-66.9	0	0	0	112.8	N112 F116	N112-Y114 PolarHBondContact O-N 3.35Å; Y114-F116 VanDerWaalsContact C-N 3.34Å; Y114-F116 VanDerWaalsContact CB-CZ 3.49Å; Y114-F116 HydrophobicContact CD2-CZ 4.16Å; Y114-F116 HydrophobicContact CG-CZ 4.13Å; Y114-F116 WeakPolarHBondContact O-CD2 3.43Å; Y114-F116 PolarHBondContact O-N 2.87Å
115	N	58.1	Low	57.1	Low	132 Å²	132	113.3 Å²	113.3	71%	0.706	56%	0.56	S	S	*	*			trans	-75.2	81	-179.6	-167.3	-21.5	0	0	0	112.8	S117	N115-S117 PolarHBondContact O-N 2.65Å; N115-S117 WeakPolarHBondContact OD1-CB 3.21Å; N115-S117 PolarHBondContact OD1-N 2.9Å; N115-S117 PolarHBondContact OD1-OG 3.4Å
116	F	66.3	Low	58.1	Low	35 Å²	35	106.3 Å²	106.3	15%	0.154	53%	0.528	C	S	.	.	G	3₁₀ helix	trans	-71.4	-2.8	180	-61.5	-65.5	0	0	0	115	Y114 K118 L119 K127 L130 L131	Y114-F116 VanDerWaalsContact C-N 3.34Å; Y114-F116 VanDerWaalsContact CB-CZ 3.49Å; Y114-F116 HydrophobicContact CD2-CZ 4.16Å; Y114-F116 HydrophobicContact CG-CZ 4.13Å; Y114-F116 WeakPolarHBondContact O-CD2 3.43Å; Y114-F116 PolarHBondContact O-N 2.87Å; F116-K118 PolarHBondContact O-N 3.33Å; F116-L119 HydrophobicContact CD1-CD1 3.87Å; F116-L119 WeakPolarHBondContact O-CB 3.4Å; F116-L119 PolarHBondContact O-N 3.08Å; F116-K127 HydrophobicContact CB-CD 4.17Å; F116-K127 HydrophobicContact CD1-CB 4.02Å; F116-K127 HydrophobicContact CD1-CD 4.06Å; F116-K127 HydrophobicContact CD1-CG 3.96Å; F116-K127 HydrophobicContact CD2-CD 3.83Å; F116-K127 HydrophobicContact CD2-CG 4.22Å; F116-K127 HydrophobicContact CE1-CB 3.92Å; F116-K127 HydrophobicContact CE1-CD 4.38Å; F116-K127 HydrophobicContact CE1-CG 3.84Å; F116-K127 HydrophobicContact CE2-CD 4.16Å; F116-K127 HydrophobicContact CE2-CG 4.1Å; F116-K127 HydrophobicContact CG-CD 3.76Å; F116-K127 HydrophobicContact CG-CG 4.15Å; F116-K127 HydrophobicContact CZ-CB 4.44Å; F116-K127 HydrophobicContact CZ-CD 4.42Å; F116-K127 HydrophobicContact CZ-CG 3.9Å; F116-L130 HydrophobicContact CE1-CD1 4.42Å; F116-L131 HydrophobicContact CE2-CD1 4.09Å; F116-L131 HydrophobicContact CE2-CD2 4.41Å; F116-L131 HydrophobicContact CE2-CG 4.45Å; F116-L131 HydrophobicContact CZ-CD1 4.29Å; F116-L131 HydrophobicContact CZ-CG 4.33Å
117	S	61	Low	58.7	Low	94 Å²	94	107.2 Å²	107.2	66%	0.657	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-62.1	-38.4	-172.3	66.1	0	0	0	0	113.9	N115 L119	N115-S117 PolarHBondContact O-N 2.65Å; N115-S117 WeakPolarHBondContact OD1-CB 3.21Å; N115-S117 PolarHBondContact OD1-N 2.9Å; N115-S117 PolarHBondContact OD1-OG 3.4Å; S117-L119 VanDerWaalsContact C-N 3.26Å; S117-L119 PolarHBondContact O-N 3.48Å
118	K	53.8	Low	59	Low	189 Å²	189	103 Å²	103	82%	0.822	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-83.7	8.3	-177.2	-61.8	-177.8	-179.6	177.9	0	113.6	F116 K120	F116-K118 PolarHBondContact O-N 3.33Å; K118-K120 PolarHBondContact O-N 2.86Å
119	L	59	Low	59.2	Low	54 Å²	54	102.7 Å²	102.7	28%	0.283	51%	0.509	S	S	.	.			trans	-88.5	100.4	-166	-156.6	156.2	0	0	0	112.7	F116 S117 R123	F116-L119 HydrophobicContact CD1-CD1 3.87Å; F116-L119 WeakPolarHBondContact O-CB 3.4Å; F116-L119 PolarHBondContact O-N 3.08Å; S117-L119 VanDerWaalsContact C-N 3.26Å; S117-L119 PolarHBondContact O-N 3.48Å; L119-R123 VanDerWaalsContact CD2-C 3.44Å; L119-R123 HydrophobicContact CD2-CB 3.55Å; L119-R123 HydrophobicContact CG-CB 4.35Å
120	K	56.7	Low	59.3	Low	170 Å²	170	103.1 Å²	103.1	74%	0.739	51%	0.511	S	S	*	.			trans	-54.3	143.7	-177.2	-64.3	-171.5	178.1	-174.5	0	112.9	K118 S122 R123	K118-K120 PolarHBondContact O-N 2.86Å; K120-S122 PolarHBondContact O-N 3.26Å; K120-R123 PolarHBondContact O-N 3.48Å
121	K	60.4	Low	59.5	Low	189 Å²	189	101.5 Å²	101.5	82%	0.822	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-45.5	-35.6	-172.4	-71.5	-179.4	179.6	174.6	0	115.3	R123	K121-R123 VanDerWaalsContact C-N 3.28Å; K121-R123 PolarHBondContact O-N 3.06Å
122	S	50.3	Low	59.6	Low	94 Å²	94	104 Å²	104	66%	0.657	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-71.5	-11.6	-179.9	51	0	0	0	0	115.6	K120	K120-S122 PolarHBondContact O-N 3.26Å
123	R	57.6	Low	59.1	Low	122 Å²	122	103 Å²	103	46%	0.46	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-107.6	1	-179.5	-71.7	-178.8	172.2	-179.4	-5.7	114.2	L119 K120 K121 W125 L126	L119-R123 VanDerWaalsContact CD2-C 3.44Å; L119-R123 HydrophobicContact CD2-CB 3.55Å; L119-R123 HydrophobicContact CG-CB 4.35Å; K120-R123 PolarHBondContact O-N 3.48Å; K121-R123 VanDerWaalsContact C-N 3.28Å; K121-R123 PolarHBondContact O-N 3.06Å; R123-W125 PolarHBondContact O-N 2.99Å; R123-L126 HydrophobicContact CB-CD1 4.48Å; R123-L126 PolarHBondContact O-N 3.31Å
124	K	65.1	Low	58.4	Low	143 Å²	143	104.4 Å²	104.4	62%	0.622	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-27.1	-174.5	-80.5	-168.7	169.1	-159.5	0	115.2	L126 K127	K124-L126 PolarHBondContact O-N 2.92Å; K124-K127 PolarHBondContact O-N 3.5Å; K124-K127 VanDerWaalsContact O-N 3.14Å
125	W	66.4	Low	57.4	Low	81 Å²	81	104.7 Å²	104.7	31%	0.307	54%	0.536	S	S	.	.	H	α-helix	trans	-58.1	-33.5	176.8	65	-86.7	0	0	0	113.2	R123 K127 S128 I129 M162	R123-W125 PolarHBondContact O-N 2.99Å; W125-K127 VanDerWaalsContact C-N 3.31Å; W125-K127 PolarHBondContact O-N 3.07Å; W125-S128 WeakPolarHBondContact O-CB 3.44Å; W125-S128 PolarHBondContact O-N 3.12Å; W125-I129 HydrophobicContact CE3-CD1 3.65Å; W125-I129 HydrophobicContact CZ3-CD1 3.8Å; W125-M162 HydrophobicContact CH2-CB 4.48Å; W125-M162 HydrophobicContact CH2-CE 4.28Å; W125-M162 HydrophobicContact CZ3-CE 3.97Å
126	L	59	Low	56.1	Low	38 Å²	38	104.2 Å²	104.2	20%	0.199	54%	0.543	C	S	.	.	H	α-helix	trans	-63.8	-32.5	176.5	-73.5	162.4	0	0	0	113	R123 K124 S128 I129 L130	R123-L126 HydrophobicContact CB-CD1 4.48Å; R123-L126 PolarHBondContact O-N 3.31Å; K124-L126 PolarHBondContact O-N 2.92Å; L126-S128 PolarHBondContact O-N 3.07Å; L126-I129 PolarHBondContact O-N 3.12Å; L126-L130 WeakPolarHBondContact O-CG 3.4Å; L126-L130 PolarHBondContact O-N 3.36Å
127	K	66	Low	54.6	Low	95 Å²	95	112 Å²	112	41%	0.413	58%	0.58	S	S	.	*	H	α-helix	trans	-64.4	-28.5	174	179.8	170.8	-176	178.2	0	111.7	F116 K124 W125 I129 L131	F116-K127 HydrophobicContact CB-CD 4.17Å; F116-K127 HydrophobicContact CD1-CB 4.02Å; F116-K127 HydrophobicContact CD1-CD 4.06Å; F116-K127 HydrophobicContact CD1-CG 3.96Å; F116-K127 HydrophobicContact CD2-CD 3.83Å; F116-K127 HydrophobicContact CD2-CG 4.22Å; F116-K127 HydrophobicContact CE1-CB 3.92Å; F116-K127 HydrophobicContact CE1-CD 4.38Å; F116-K127 HydrophobicContact CE1-CG 3.84Å; F116-K127 HydrophobicContact CE2-CD 4.16Å; F116-K127 HydrophobicContact CE2-CG 4.1Å; F116-K127 HydrophobicContact CG-CD 3.76Å; F116-K127 HydrophobicContact CG-CG 4.15Å; F116-K127 HydrophobicContact CZ-CB 4.44Å; F116-K127 HydrophobicContact CZ-CD 4.42Å; F116-K127 HydrophobicContact CZ-CG 3.9Å; K124-K127 PolarHBondContact O-N 3.5Å; K124-K127 VanDerWaalsContact O-N 3.14Å; W125-K127 VanDerWaalsContact C-N 3.31Å; W125-K127 PolarHBondContact O-N 3.07Å; K127-I129 VanDerWaalsContact C-N 3.34Å; K127-L131 HydrophobicContact CD-CD1 4.34Å; K127-L131 VanDerWaalsContact CE-CD1 3.43Å; K127-L131 HydrophobicContact CG-CD1 3.78Å; K127-L131 WeakPolarHBondContact O-CD1 3.48Å; K127-L131 WeakPolarHBondContact O-CG 3.37Å
128	S	60	Low	53.3	Low	94 Å²	94	111.5 Å²	111.5	66%	0.657	58%	0.582	S	S	*	*	H	α-helix	trans	-79	-17.5	-179.2	-155.2	0	0	0	0	113.7	W125 L126	W125-S128 WeakPolarHBondContact O-CB 3.44Å; W125-S128 PolarHBondContact O-N 3.12Å; L126-S128 PolarHBondContact O-N 3.07Å
129	I	60.4	Low	52.1	Low	54 Å²	54	109.9 Å²	109.9	28%	0.277	58%	0.582	S	S	.	*	H	α-helix	trans	-98.4	-29.4	-179.1	-62.8	174.8	0	0	0	110.8	W125 L126 K127 L131 S132 L154	W125-I129 HydrophobicContact CE3-CD1 3.65Å; W125-I129 HydrophobicContact CZ3-CD1 3.8Å; L126-I129 PolarHBondContact O-N 3.12Å; K127-I129 VanDerWaalsContact C-N 3.34Å; I129-L131 PolarHBondContact O-N 3.37Å; I129-S132 PolarHBondContact O-OG 2.82Å; I129-L154 HydrophobicContact CD1-CD1 4.2Å
130	L	56.7	Low	50.9	Low	82 Å²	82	112.3 Å²	112.3	43%	0.429	60%	0.604	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83	10.5	177.7	-67	169.2	0	0	0	114	F116 L126	F116-L130 HydrophobicContact CE1-CD1 4.42Å; L126-L130 WeakPolarHBondContact O-CG 3.4Å; L126-L130 PolarHBondContact O-N 3.36Å
131	L	62.9	Low	49.8	Very low	59 Å²	59	113.1 Å²	113.1	31%	0.309	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-138	17.1	-175.4	-66.5	176.8	0	0	0	113.1	K110 F116 K127 I129	K110-L131 HydrophobicContact CB-CD2 4.07Å; K110-L131 WeakPolarHBondContact O-CD2 3.43Å; F116-L131 HydrophobicContact CE2-CD1 4.09Å; F116-L131 HydrophobicContact CE2-CD2 4.41Å; F116-L131 HydrophobicContact CE2-CG 4.45Å; F116-L131 HydrophobicContact CZ-CD1 4.29Å; F116-L131 HydrophobicContact CZ-CG 4.33Å; K127-L131 HydrophobicContact CD-CD1 4.34Å; K127-L131 VanDerWaalsContact CE-CD1 3.43Å; K127-L131 HydrophobicContact CG-CD1 3.78Å; K127-L131 WeakPolarHBondContact O-CD1 3.48Å; K127-L131 WeakPolarHBondContact O-CG 3.37Å; I129-L131 PolarHBondContact O-N 3.37Å
132	S	60.9	Low	48.3	Very low	80 Å²	80	110.2 Å²	110.2	56%	0.559	61%	0.613	S	S	*	*			trans	-110.2	130.9	173.3	47.6	0	0	0	0	109.1	I129	I129-S132 PolarHBondContact O-OG 2.82Å
133	D	46.8	Very low	47.4	Very low	105 Å²	105	114.9 Å²	114.9	56%	0.561	63%	0.625	S	S	*	*			trans	-109.3	148.9	178	-71.9	-42.5	0	0	0	110.6	K110	K110-D133 IonicContact NZ-OD1 2.68Å; K110-D133 PolarHBondContact NZ-OD1 3.42Å; K110-D133 IonicContact NZ-OD2 2.7Å; K110-D133 PolarHBondContact NZ-OD2 2.92Å
134	E	41.5	Very low	46.1	Very low	165 Å²	165	116.4 Å²	116.4	77%	0.771	64%	0.642	S	S	*	*			trans	-94.9	169	175.7	-62.4	176.8	136.6	0	0	111.4
135	S	35.9	Very low	44.4	Very low	123 Å²	123	117.6 Å²	117.6	86%	0.86	66%	0.655	S	S	*	*			trans	88.4	102.2	168.9	74	0	0	0	0	119.9
136	S	32.3	Very low	42.7	Very low	122 Å²	122	121.9 Å²	121.9	85%	0.853	68%	0.684	S	S	*	*				-168.2	103.2	128.3	62.1	0	0	0	0	111.7
137	E	34.4	Very low	41.3	Very low	199 Å²	199	127.8 Å²	127.8	93%	0.93	72%	0.716	S	S	*	*			trans	-118.7	160.8	158.7	-57.5	-171	160.9	0	0	107.1
138	A	33.6	Very low	39.9	Very low	83 Å²	83	132.5 Å²	132.5	69%	0.686	74%	0.74	S	S	*	*			cis	-148.8	167.5	-0.9	0	0	0	0	0	109.3
139	D	29.4	Very low	38.7	Very low	156 Å²	156	137.5 Å²	137.5	83%	0.834	75%	0.752	S	S	*	*				-177.3	149.4	117.5	-106.5	-25.3	0	0	0	115.9
140	S	33.2	Very low	37.6	Very low	104 Å²	104	143.9 Å²	143.9	73%	0.727	78%	0.781	S	S	*	*			trans	39.4	73.5	157.1	54.5	0	0	0	0	123.2
141	Q	32.6	Very low	36.5	Very low	188 Å²	188	149.2 Å²	149.2	88%	0.879	80%	0.804	S	S	*	*				45.2	118.2	125	-63.7	179	-13.2	0	0	122.5
142	S	29.9	Very low	35.4	Very low	127 Å²	127	153.6 Å²	153.6	89%	0.888	83%	0.827	S	S	*	*				-154.3	157.3	125.1	-13.8	0	0	0	0	109.9
143	E	30.9	Very low	34.5	Very low	192 Å²	192	154.5 Å²	154.5	90%	0.897	83%	0.833	S	S	*	*			trans	-96.9	130.1	-162.8	-57.4	179	132.8	0	0	114.5
144	D	30.4	Very low	34.8	Very low	155 Å²	155	154 Å²	154	83%	0.829	83%	0.83	S	S	*	*				165.6	114.1	124.9	-105.8	-17.6	0	0	0	111.1
145	N	29.2	Very low	35.6	Very low	168 Å²	168	148.7 Å²	148.7	90%	0.898	81%	0.811	S	S	*	*			trans	160.6	81.2	148.7	-91.9	-70.8	0	0	0	111.7
146	D	30.6	Very low	36.4	Very low	170 Å²	170	152.8 Å²	152.8	91%	0.909	81%	0.808	S	S	*	*			trans	-118	113.9	176.5	-90	-31.1	0	0	0	112.7
147	D	30	Very low	37.7	Very low	162 Å²	162	153.9 Å²	153.9	87%	0.866	80%	0.799	S	S	*	*	S	Bend	trans	-172.6	31	143.4	-136.7	-2	0	0	0	116.3
148	E	37	Very low	38.9	Very low	195 Å²	195	149.3 Å²	149.3	91%	0.911	78%	0.778	S	S	*	*	S	Bend	trans	-165.5	69.3	164.7	-122.6	171.1	-139.4	0	0	116.9
149	E	34.7	Very low	40.4	Very low	198 Å²	198	147.9 Å²	147.9	93%	0.925	76%	0.758	S	S	*	*			trans	-170.2	109.5	148.2	-109.7	156.8	-153.5	0	0	113.2
150	E	35.8	Very low	42	Very low	189 Å²	189	146.4 Å²	146.4	88%	0.883	75%	0.746	S	S	*	*			trans	-114.3	98.9	164.1	-82.3	-177.2	142.5	0	0	107.7
151	E	34.9	Very low	43.5	Very low	193 Å²	193	146 Å²	146	90%	0.902	74%	0.736	S	S	*	*			trans	-75	125	167.9	-73.5	-153.9	118.7	0	0	110.2
152	L	38.6	Very low	44.9	Very low	152 Å²	152	141.3 Å²	141.3	80%	0.796	72%	0.715	S	S	*	*			trans	-95.3	108.5	178.2	-74	168.3	0	0	0	110.2	L154	L152-L154 PolarHBondContact O-N 2.73Å
153	S	42.1	Very low	46.6	Very low	98 Å²	98	138.8 Å²	138.8	69%	0.685	69%	0.691	S	S	*	*			trans	-60.7	130.2	164.9	48.7	0	0	0	0	110
154	L	53.3	Low	48.3	Very low	94 Å²	94	138.9 Å²	138.9	49%	0.492	68%	0.683	S	S	.	*			trans	-101.3	114.9	-176.4	-87.1	165.8	0	0	0	109.8	I129 L152 E158	I129-L154 HydrophobicContact CD1-CD1 4.2Å; L152-L154 PolarHBondContact O-N 2.73Å; L154-E158 HydrophobicContact CD2-CB 4.25Å
155	S	59.1	Low	49.8	Very low	54 Å²	54	136.2 Å²	136.2	38%	0.378	67%	0.668	S	S	.	*			trans	-66.6	154.6	-177.8	90.4	0	0	0	0	112.3	E157 E158 L159	S155-E157 PolarHBondContact O-N 2.88Å; S155-E157 VanDerWaalsContact O-N 3.15Å; S155-E157 PolarHBondContact OG-N 3.07Å; S155-E158 PolarHBondContact O-N 3.12Å; S155-E158 PolarHBondContact OG-N 3.32Å; S155-E158 VanDerWaalsContact OG-N 3.11Å; S155-L159 PolarHBondContact O-N 2.95Å
156	R	53	Low	51.6	Low	210 Å²	210	131.5 Å²	131.5	79%	0.792	64%	0.641	S	S	*	*	H	α-helix	trans	-56.2	-30.8	175.1	-171.7	172.7	177.5	171.2	-2.1	112.3	H160	R156-H160 PolarHBondContact O-N 3.49Å; R156-H160 VanDerWaalsContact O-N 3.11Å
157	E	58.9	Low	53.3	Low	145 Å²	145	131 Å²	131	68%	0.678	63%	0.63	S	S	*	*	H	α-helix	trans	-75	-39.3	175	-58.5	-169	144.2	0	0	112.7	S155 L159 H160 N161	S155-E157 PolarHBondContact O-N 2.88Å; S155-E157 VanDerWaalsContact O-N 3.15Å; S155-E157 PolarHBondContact OG-N 3.07Å; E157-L159 VanDerWaalsContact C-N 3.33Å; E157-H160 PolarHBondContact O-N 3.11Å; E157-N161 WeakPolarHBondContact O-CB 3.34Å; E157-N161 PolarHBondContact O-N 2.9Å; E157-N161 PolarHBondContact O-ND2 3.13Å
158	E	60.6	Low	54.9	Low	103 Å²	103	130 Å²	130	48%	0.481	62%	0.616	S	S	.	*	H	α-helix	trans	-65.6	-37.4	173.8	-72.9	-163.8	120.9	0	0	111.6	L154 S155 N161 M162	L154-E158 HydrophobicContact CD2-CB 4.25Å; S155-E158 PolarHBondContact O-N 3.12Å; S155-E158 PolarHBondContact OG-N 3.32Å; S155-E158 VanDerWaalsContact OG-N 3.11Å; E158-N161 PolarHBondContact O-N 2.96Å; E158-M162 VanDerWaalsContact O-CB 3.3Å; E158-M162 WeakPolarHBondContact O-CB 3.47Å; E158-M162 VanDerWaalsContact O-CG 3.22Å; E158-M162 WeakPolarHBondContact O-CG 3.28Å; E158-M162 PolarHBondContact O-N 3.15Å
159	L	64.7	Low	55.9	Low	52 Å²	52	126.9 Å²	126.9	27%	0.272	60%	0.599	S	S	.	*	H	α-helix	trans	-61.8	-45.2	171.4	-173.8	66.8	0	0	0	111.6	S155 E157 M162 L163	S155-L159 PolarHBondContact O-N 2.95Å; E157-L159 VanDerWaalsContact C-N 3.33Å; L159-M162 PolarHBondContact O-N 3.27Å; L159-L163 HydrophobicContact CG-CD1 4.35Å; L159-L163 WeakPolarHBondContact O-CG 3.49Å; L159-L163 PolarHBondContact O-N 3.4Å
160	H	63.4	Low	57.4	Low	125 Å²	125	122.9 Å²	122.9	58%	0.579	58%	0.579	S	S	*	*	H	α-helix	trans	-61.5	-42.9	174.4	-99.7	-108.3	0	0	0	112.4	R156 E157 L163 R164	R156-H160 PolarHBondContact O-N 3.49Å; R156-H160 VanDerWaalsContact O-N 3.11Å; E157-H160 PolarHBondContact O-N 3.11Å; H160-L163 PolarHBondContact O-N 3.15Å; H160-R164 WeakPolarHBondContact O-CB 3.26Å; H160-R164 PolarHBondContact O-N 2.96Å
161	N	63.4	Low	58.9	Low	95 Å²	95	118.5 Å²	118.5	51%	0.508	56%	0.561	S	S	.	*	H	α-helix	trans	-67	-39.1	177.3	-79.4	-54.3	0	0	0	112.4	E157 E158 L163 R164 L165	E157-N161 WeakPolarHBondContact O-CB 3.34Å; E157-N161 PolarHBondContact O-N 2.9Å; E157-N161 PolarHBondContact O-ND2 3.13Å; E158-N161 PolarHBondContact O-N 2.96Å; N161-L163 PolarHBondContact O-N 3.25Å; N161-R164 PolarHBondContact O-N 3.27Å; N161-L165 VanDerWaalsContact O-CB 3.29Å; N161-L165 WeakPolarHBondContact O-CB 3.44Å; N161-L165 PolarHBondContact O-N 2.95Å
162	M	62.9	Low	60	Low	90 Å²	90	114 Å²	114	44%	0.443	54%	0.539	S	S	.	.	H	α-helix	trans	-60.1	-42.7	171.6	-79.2	-90.4	-85.7	0	0	111.9	W125 E158 L159 H166	W125-M162 HydrophobicContact CH2-CB 4.48Å; W125-M162 HydrophobicContact CH2-CE 4.28Å; W125-M162 HydrophobicContact CZ3-CE 3.97Å; E158-M162 VanDerWaalsContact O-CB 3.3Å; E158-M162 WeakPolarHBondContact O-CB 3.47Å; E158-M162 VanDerWaalsContact O-CG 3.22Å; E158-M162 WeakPolarHBondContact O-CG 3.28Å; E158-M162 PolarHBondContact O-N 3.15Å; L159-M162 PolarHBondContact O-N 3.27Å; M162-H166 WeakPolarHBondContact O-CB 3.45Å; M162-H166 PolarHBondContact O-N 3.36Å
163	L	64.4	Low	60.9	Low	74 Å²	74	113 Å²	113	39%	0.387	53%	0.531	S	S	.	.	H	α-helix	trans	-68.2	-42	175.5	-71.3	169.2	0	0	0	112.2	L159 H160 N161 H166 K167	L159-L163 HydrophobicContact CG-CD1 4.35Å; L159-L163 WeakPolarHBondContact O-CG 3.49Å; L159-L163 PolarHBondContact O-N 3.4Å; H160-L163 PolarHBondContact O-N 3.15Å; N161-L163 PolarHBondContact O-N 3.25Å; L163-H166 PolarHBondContact O-N 2.81Å; L163-K167 PolarHBondContact O-N 2.81Å
164	R	67.9	Low	61.7	Low	195 Å²	195	112.6 Å²	112.6	74%	0.736	52%	0.521	S	S	*	.	H	α-helix	trans	-59.9	-46.2	174.8	-164.5	175.2	-171.2	171.4	4.1	110.8	H160 N161 H166 K167 Y168	H160-R164 WeakPolarHBondContact O-CB 3.26Å; H160-R164 PolarHBondContact O-N 2.96Å; N161-R164 PolarHBondContact O-N 3.27Å; R164-H166 VanDerWaalsContact C-N 3.34Å; R164-H166 PolarHBondContact O-N 2.59Å; R164-K167 PolarHBondContact O-N 2.93Å; R164-Y168 WeakPolarHBondContact O-CB 3.47Å; R164-Y168 PolarHBondContact O-N 2.77Å
165	L	62.5	Low	62.3	Low	98 Å²	98	115.3 Å²	115.3	51%	0.513	53%	0.529	S	S	.	.	H	α-helix	trans	-65	-34.7	176.4	-164.2	75.3	0	0	0	112.5	N161 K169	N161-L165 VanDerWaalsContact O-CB 3.29Å; N161-L165 WeakPolarHBondContact O-CB 3.44Å; N161-L165 PolarHBondContact O-N 2.95Å; L165-K169 WeakPolarHBondContact O-CB 3.39Å; L165-K169 PolarHBondContact O-N 3.25Å
166	H	66.6	Low	62.2	Low	70 Å²	70	119.8 Å²	119.8	32%	0.324	54%	0.539	S	S	.	.	H	α-helix	trans	-70	-43.2	174.5	-172.1	77.2	0	0	0	112.2	M162 L163 R164 Y168 K169 K170	M162-H166 WeakPolarHBondContact O-CB 3.45Å; M162-H166 PolarHBondContact O-N 3.36Å; L163-H166 PolarHBondContact O-N 2.81Å; R164-H166 VanDerWaalsContact C-N 3.34Å; R164-H166 PolarHBondContact O-N 2.59Å; H166-Y168 VanDerWaalsContact C-N 3.34Å; H166-K169 PolarHBondContact O-N 3.1Å; H166-K170 PolarHBondContact O-N 3.38Å
167	K	64.9	Low	62	Low	158 Å²	158	113.1 Å²	113.1	69%	0.687	52%	0.524	S	S	*	.	H	α-helix	trans	-59.7	-45.6	173.1	-169.3	178.4	-180	-176.2	0	110.4	L163 R164 K170 L171	L163-K167 PolarHBondContact O-N 2.81Å; R164-K167 PolarHBondContact O-N 2.93Å; K167-K170 PolarHBondContact O-N 2.9Å; K167-L171 PolarHBondContact O-N 3.25Å
168	Y	63.3	Low	61.9	Low	142 Å²	142	111 Å²	111	56%	0.557	51%	0.513	S	S	*	.	H	α-helix	trans	-61.5	-47.9	177.6	-166.3	-95.7	0	0	0	112.8	R164 H166 K170 L171 H172	R164-Y168 WeakPolarHBondContact O-CB 3.47Å; R164-Y168 PolarHBondContact O-N 2.77Å; H166-Y168 VanDerWaalsContact C-N 3.34Å; Y168-K170 VanDerWaalsContact C-N 3.33Å; Y168-K170 PolarHBondContact O-N 3.47Å; Y168-L171 PolarHBondContact O-N 3.2Å; Y168-H172 AromaticContact CD1-CD2 3.65Å; Y168-H172 AromaticContact CE1-CD2 3.32Å; Y168-H172 WeakPolarHBondContact CE1-CD2 3.29Å; Y168-H172 AromaticContact CE1-NE2 3.28Å; Y168-H172 VanDerWaalsContact CE1-NE2 3.28Å; Y168-H172 WeakPolarHBondContact CE1-NE2 3.45Å; Y168-H172 AromaticContact CE2-NE2 3.92Å; Y168-H172 AromaticContact CZ-CD2 3.67Å; Y168-H172 AromaticContact CZ-NE2 3.19Å; Y168-H172 PolarHBondContact O-CD2 3.44Å; Y168-H172 PolarHBondContact O-N 3.04Å; Y168-H172 VanDerWaalsContact O-N 3.07Å; Y168-H172 PolarHBondContact OH-NE2 2.85Å; Y168-H172 VanDerWaalsContact OH-NE2 3.15Å
169	K	59	Low	61.9	Low	130 Å²	130	110.4 Å²	110.4	57%	0.565	51%	0.512	S	S	*	.	H	α-helix	trans	-59.6	-40.2	174.5	-86.9	179.6	175	169.9	0	112.8	L165 H166 H172 Q173	L165-K169 WeakPolarHBondContact O-CB 3.39Å; L165-K169 PolarHBondContact O-N 3.25Å; H166-K169 PolarHBondContact O-N 3.1Å; K169-H172 PolarHBondContact O-N 2.79Å; K169-Q173 WeakPolarHBondContact O-CG 3.26Å; K169-Q173 PolarHBondContact O-N 3.48Å
170	K	65.9	Low	61.4	Low	114 Å²	114	114.7 Å²	114.7	50%	0.496	53%	0.529	S	S	.	.	H	α-helix	trans	-69.2	-37.8	179.1	-162.7	-175.6	179.2	-110	0	112.1	H166 K167 Y168 Q173 N174	H166-K170 PolarHBondContact O-N 3.38Å; K167-K170 PolarHBondContact O-N 2.9Å; Y168-K170 VanDerWaalsContact C-N 3.33Å; Y168-K170 PolarHBondContact O-N 3.47Å; K170-Q173 PolarHBondContact O-N 2.93Å; K170-N174 PolarHBondContact O-N 3.31Å
171	L	66.9	Low	61.1	Low	97 Å²	97	115.2 Å²	115.2	51%	0.508	53%	0.532	S	S	.	.	H	α-helix	trans	-58.5	-47.9	171.9	-91.6	161.5	0	0	0	111.7	K167 Y168 N174 K175	K167-L171 PolarHBondContact O-N 3.25Å; Y168-L171 PolarHBondContact O-N 3.2Å; L171-N174 PolarHBondContact O-N 2.97Å; L171-K175 PolarHBondContact O-N 3.1Å
172	H	58.2	Low	60.6	Low	97 Å²	97	113.4 Å²	113.4	45%	0.449	52%	0.522	S	S	.	.	H	α-helix	trans	-66.4	-37.7	177.2	-83.5	-75.5	0	0	0	113.5	Y168 K169 K175 Y176	Y168-H172 AromaticContact CD1-CD2 3.65Å; Y168-H172 AromaticContact CE1-CD2 3.32Å; Y168-H172 WeakPolarHBondContact CE1-CD2 3.29Å; Y168-H172 AromaticContact CE1-NE2 3.28Å; Y168-H172 VanDerWaalsContact CE1-NE2 3.28Å; Y168-H172 WeakPolarHBondContact CE1-NE2 3.45Å; Y168-H172 AromaticContact CE2-NE2 3.92Å; Y168-H172 AromaticContact CZ-CD2 3.67Å; Y168-H172 AromaticContact CZ-NE2 3.19Å; Y168-H172 PolarHBondContact O-CD2 3.44Å; Y168-H172 PolarHBondContact O-N 3.04Å; Y168-H172 VanDerWaalsContact O-N 3.07Å; Y168-H172 PolarHBondContact OH-NE2 2.85Å; Y168-H172 VanDerWaalsContact OH-NE2 3.15Å; K169-H172 PolarHBondContact O-N 2.79Å; H172-K175 PolarHBondContact O-N 2.89Å; H172-Y176 VanDerWaalsContact O-CB 3.31Å; H172-Y176 WeakPolarHBondContact O-CB 3.3Å; H172-Y176 PolarHBondContact O-N 3.29Å
173	Q	57.2	Low	60.1	Low	132 Å²	132	113 Å²	113	62%	0.617	52%	0.518	S	S	*	.	H	α-helix	trans	-64	-39.7	172.3	-75.3	-173.4	-55.6	0	0	112.3	K169 K170 S177	K169-Q173 WeakPolarHBondContact O-CG 3.26Å; K169-Q173 PolarHBondContact O-N 3.48Å; K170-Q173 PolarHBondContact O-N 2.93Å; Q173-S177 WeakPolarHBondContact O-CB 3.31Å; Q173-S177 PolarHBondContact O-N 3.29Å; Q173-S177 VanDerWaalsContact O-N 3.13Å; Q173-S177 PolarHBondContact O-OG 3.43Å
174	N	60.4	Low	59.3	Low	89 Å²	89	115.3 Å²	115.3	48%	0.476	53%	0.527	S	S	.	.	H	α-helix	trans	-64.4	-43.6	173.9	-89.2	33.3	0	0	0	112.2	K170 L171 S177 K178	K170-N174 PolarHBondContact O-N 3.31Å; L171-N174 PolarHBondContact O-N 2.97Å; N174-S177 PolarHBondContact O-N 2.97Å; N174-S177 VanDerWaalsContact O-N 3.1Å; N174-K178 PolarHBondContact O-N 3.01Å; N174-K178 VanDerWaalsContact O-N 3.12Å
175	K	64.3	Low	58.3	Low	151 Å²	151	112.2 Å²	112.2	66%	0.657	52%	0.517	S	S	*	.	H	α-helix	trans	-61.1	-46.3	174.8	-72.2	-164.9	174.7	-165.2	0	111.8	L171 H172 S177 K178	L171-K175 PolarHBondContact O-N 3.1Å; H172-K175 PolarHBondContact O-N 2.89Å; K175-S177 PolarHBondContact O-N 2.98Å; K175-S177 VanDerWaalsContact O-N 3.08Å; K175-K178 PolarHBondContact O-N 3.39Å; K175-K178 VanDerWaalsContact O-N 3.12Å
176	Y	57.5	Low	57.5	Low	149 Å²	149	113.5 Å²	113.5	58%	0.584	52%	0.52	S	S	*	.	H	α-helix	trans	-56.9	-22.6	173	-176.6	-96.6	0	0	0	113.9	H172 L182	H172-Y176 VanDerWaalsContact O-CB 3.31Å; H172-Y176 WeakPolarHBondContact O-CB 3.3Å; H172-Y176 PolarHBondContact O-N 3.29Å; Y176-L182 HydrophobicContact CD2-CD1 3.73Å; Y176-L182 HydrophobicContact CE2-CD1 3.66Å; Y176-L182 HydrophobicContact CE2-CD2 4.01Å; Y176-L182 HydrophobicContact CE2-CG 4.4Å
177	S	49.4	Very low	56.4	Low	69 Å²	69	119.5 Å²	119.5	48%	0.483	54%	0.541	S	S	.	.	H	α-helix	trans	-98.9	-11.3	-179	-50.5	0	0	0	0	114	Q173 N174 K175	Q173-S177 WeakPolarHBondContact O-CB 3.31Å; Q173-S177 PolarHBondContact O-N 3.29Å; Q173-S177 VanDerWaalsContact O-N 3.13Å; Q173-S177 PolarHBondContact O-OG 3.43Å; N174-S177 PolarHBondContact O-N 2.97Å; N174-S177 VanDerWaalsContact O-N 3.1Å; K175-S177 PolarHBondContact O-N 2.98Å; K175-S177 VanDerWaalsContact O-N 3.08Å
178	K	56.8	Low	55.5	Low	102 Å²	102	121.3 Å²	121.3	44%	0.443	55%	0.545	S	S	.	.	H	α-helix	trans	-87.8	-11.5	172.7	-77.2	-160.3	-179.5	-161.2	0	112.8	N59 N174 K175	N59-K178 WeakPolarHBondContact OD1-CD 3.37Å; N59-K178 WeakPolarHBondContact OD1-CE 3.46Å; N59-K178 PolarHBondContact OD1-NZ 2.66Å; N174-K178 PolarHBondContact O-N 3.01Å; N174-K178 VanDerWaalsContact O-N 3.12Å; K175-K178 PolarHBondContact O-N 3.39Å; K175-K178 VanDerWaalsContact O-N 3.12Å
179	D	59.5	Low	54.5	Low	89 Å²	89	119.7 Å²	119.7	48%	0.476	56%	0.555	S	S	.	*			trans	-86.7	125.4	-169	-155.4	-14.2	0	0	0	113	L182 Q183	D179-L182 HydrophobicContact CB-CB 4.42Å; D179-L182 HydrophobicContact CB-CD1 4.14Å; D179-L182 PolarHBondContact O-N 3.16Å; D179-Q183 PolarHBondContact O-N 2.81Å
180	K	55.3	Low	53.6	Low	143 Å²	143	117.1 Å²	117.1	62%	0.622	56%	0.557	S	S	*	*	H	α-helix	trans	-67.8	-44.2	-166.2	-71.1	-171.7	-174.5	-176.5	0	113.2	L61 L182 Q183	L61-K180 HydrophobicContact CD2-CD 4.28Å; L61-K180 VanDerWaalsContact CD2-CE 3.47Å; K180-L182 PolarHBondContact O-N 2.96Å; K180-L182 VanDerWaalsContact O-N 3.14Å; K180-Q183 PolarHBondContact O-N 3.47Å
181	E	56.7	Low	52.4	Low	135 Å²	135	115.1 Å²	115.1	63%	0.631	57%	0.569	S	S	*	*	H	α-helix	trans	-64.4	-17.3	178.6	-72.3	-167.9	153.4	0	0	112.3	R30 Y185	R30-E181 IonicContact NH1-OE1 3.18Å; E181-Y185 WeakPolarHBondContact O-CE2 3.49Å
182	L	54.1	Low	51.2	Low	57 Å²	57	118.2 Å²	118.2	30%	0.298	59%	0.585	S	S	.	*	H	α-helix	trans	-94.3	-20.9	179.6	-74.7	166.8	0	0	0	114.2	Y176 D179 K180 Q184 Y185	Y176-L182 HydrophobicContact CD2-CD1 3.73Å; Y176-L182 HydrophobicContact CE2-CD1 3.66Å; Y176-L182 HydrophobicContact CE2-CD2 4.01Å; Y176-L182 HydrophobicContact CE2-CG 4.4Å; D179-L182 HydrophobicContact CB-CB 4.42Å; D179-L182 HydrophobicContact CB-CD1 4.14Å; D179-L182 PolarHBondContact O-N 3.16Å; K180-L182 PolarHBondContact O-N 2.96Å; K180-L182 VanDerWaalsContact O-N 3.14Å; L182-Q184 VanDerWaalsContact C-N 3.27Å; L182-Q184 PolarHBondContact O-N 3.47Å; L182-Y185 HydrophobicContact CD2-CD2 4.21Å; L182-Y185 PolarHBondContact O-N 2.81Å
183	Q	51	Low	50.2	Low	81 Å²	81	122 Å²	122	38%	0.379	61%	0.608	S	S	.	*	H	α-helix	trans	-62.4	-30.9	176.9	-75.7	-172.8	-17.8	0	0	113.2	D179 K180 Y185 Q186	D179-Q183 PolarHBondContact O-N 2.81Å; K180-Q183 PolarHBondContact O-N 3.47Å; Q183-Y185 PolarHBondContact O-N 3.27Å; Q183-Y185 VanDerWaalsContact O-N 3.09Å; Q183-Q186 VanDerWaalsContact O-CB 3.24Å; Q183-Q186 WeakPolarHBondContact O-CB 3.42Å; Q183-Q186 PolarHBondContact O-N 2.92Å; Q183-Q186 VanDerWaalsContact O-N 3.07Å
184	Q	48.7	Very low	49.2	Very low	123 Å²	123	120.3 Å²	120.3	58%	0.575	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	-23.3	178.7	76.9	175.4	14.9	0	0	113.4	L182 Q186 Y188	L182-Q184 VanDerWaalsContact C-N 3.27Å; L182-Q184 PolarHBondContact O-N 3.47Å; Q184-Q186 VanDerWaalsContact C-N 3.34Å; Q184-Y188 WeakPolarHBondContact O-CE2 3.39Å
185	Y	46.8	Very low	47.9	Very low	130 Å²	130	123.3 Å²	123.3	51%	0.51	63%	0.633	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.4	-7.6	-179.9	-59.8	-70.9	0	0	0	113.9	E181 L182 Q183 Y187 Y188	E181-Y185 WeakPolarHBondContact O-CE2 3.49Å; L182-Y185 HydrophobicContact CD2-CD2 4.21Å; L182-Y185 PolarHBondContact O-N 2.81Å; Q183-Y185 PolarHBondContact O-N 3.27Å; Q183-Y185 VanDerWaalsContact O-N 3.09Å; Y185-Y187 VanDerWaalsContact C-N 3.35Å; Y185-Y187 PolarHBondContact O-N 3.36Å; Y185-Y188 PolarHBondContact O-N 3.11Å
186	Q	45.3	Very low	46.5	Very low	126 Å²	126	125.5 Å²	125.5	59%	0.589	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-63.2	-38.5	-172.2	-160.1	167.1	22.9	0	0	112.6	Q183 Q184 Y188 S189	Q183-Q186 VanDerWaalsContact O-CB 3.24Å; Q183-Q186 WeakPolarHBondContact O-CB 3.42Å; Q183-Q186 PolarHBondContact O-N 2.92Å; Q183-Q186 VanDerWaalsContact O-N 3.07Å; Q184-Q186 VanDerWaalsContact C-N 3.34Å; Q186-Y188 PolarHBondContact O-N 2.88Å; Q186-S189 PolarHBondContact O-N 2.93Å; Q186-S189 PolarHBondContact O-OG 2.99Å
187	Y	44.3	Very low	45.7	Very low	196 Å²	196	124.5 Å²	124.5	77%	0.769	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-72.2	-25.1	-178.9	-69.4	-78.2	0	0	0	114.5	Y185 S189 A190	Y185-Y187 VanDerWaalsContact C-N 3.35Å; Y185-Y187 PolarHBondContact O-N 3.36Å; Y187-S189 PolarHBondContact O-N 3.39Å; Y187-A190 WeakPolarHBondContact O-CB 3.48Å; Y187-A190 PolarHBondContact O-N 3.39Å
188	Y	45.9	Very low	45	Very low	195 Å²	195	125.5 Å²	125.5	77%	0.765	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-69.7	-4	178.8	-63	-91.8	0	0	0	113.4	Q184 Y185 Q186	Q184-Y188 WeakPolarHBondContact O-CE2 3.39Å; Y185-Y188 PolarHBondContact O-N 3.11Å; Q186-Y188 PolarHBondContact O-N 2.88Å
189	S	40.6	Very low	44.1	Very low	109 Å²	109	129 Å²	129	76%	0.762	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-80.7	-12.4	170.4	68.3	0	0	0	0	114.3	Q186 Y187	Q186-S189 PolarHBondContact O-N 2.93Å; Q186-S189 PolarHBondContact O-OG 2.99Å; Y187-S189 PolarHBondContact O-N 3.39Å
190	A	40.3	Very low	43.2	Very low	75 Å²	75	133.8 Å²	133.8	62%	0.62	68%	0.676	S	S	*	*			trans	-94.2	16.5	-174.9	0	0	0	0	0	114.8	Y187 L192	Y187-A190 WeakPolarHBondContact O-CB 3.48Å; Y187-A190 PolarHBondContact O-N 3.39Å; A190-L192 PolarHBondContact O-N 3.12Å
191	G	41.7	Very low	42.5	Very low	72 Å²	72	135.6 Å²	135.6	74%	0.742	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	53.2	-174.4	0	0	0	0	0	116.4
192	L	40.7	Very low	41.5	Very low	162 Å²	162	137.9 Å²	137.9	85%	0.848	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.4	-6.2	175.7	-98.4	168.8	0	0	0	114.2	A190	A190-L192 PolarHBondContact O-N 3.12Å
193	L	37.7	Very low	40.8	Very low	177 Å²	177	144.2 Å²	144.2	93%	0.927	73%	0.725	S	S	*	*	S	Bend	trans	-135.9	28.8	-174.1	-69.8	174.8	0	0	0	114.2
194	S	35.4	Very low	40.2	Very low	97 Å²	97	146.9 Å²	146.9	68%	0.678	73%	0.732	S	S	*	*			trans	-124.4	139.6	165.1	-178.5	0	0	0	0	110.4
195	T	34	Very low	39.9	Very low	151 Å²	151	149.9 Å²	149.9	93%	0.926	75%	0.746	S	S	*	*			trans	-108.4	8.3	-175.2	45.5	0	0	0	0	113.8
196	Y	34.5	Very low	39.5	Very low	197 Å²	197	151.6 Å²	151.6	77%	0.773	76%	0.763	S	S	*	*			trans	-142.6	123.7	177.2	-156.3	-102.4	0	0	0	111.9	P198	Y196-P198 HydrophobicContact CE1-CG 4.42Å
197	D	40.6	Very low	39	Very low	128 Å²	128	153.3 Å²	153.3	68%	0.684	78%	0.775	S	S	*	*			trans	-146.3	123.1	172.1	-178.1	-23.7	0	0	0	107.6	F199	D197-F199 PolarHBondContact O-N 3.3Å; D197-F199 PolarHBondContact OD1-N 3.14Å
198	P	35.7	Very low	38.6	Very low	91 Å²	91	146.8 Å²	146.8	59%	0.591	77%	0.767	S	S	*	*	S	Bend	trans	-75.7	-14.1	-170.7	-16.2	31.3	0	0	0	116.4	Y196	Y196-P198 HydrophobicContact CE1-CG 4.42Å
199	F	37.7	Very low	38.3	Very low	175 Å²	175	143.6 Å²	143.6	77%	0.768	77%	0.771	S	S	*	*			trans	-125.8	63.8	-163.4	-65.1	-68.3	0	0	0	115.7	D197 E201	D197-F199 PolarHBondContact O-N 3.3Å; D197-F199 PolarHBondContact OD1-N 3.14Å; F199-E201 VanDerWaalsContact C-N 3.3Å; F199-E201 PolarHBondContact O-N 3.37Å; F199-E201 VanDerWaalsContact O-N 3.11Å
200	Y	40.8	Very low	38.2	Very low	189 Å²	189	148 Å²	148	74%	0.741	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-16.6	-174.4	-170.2	-103.5	0	0	0	117.4
201	E	39.7	Very low	38.4	Very low	182 Å²	182	154.4 Å²	154.4	85%	0.85	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-23.2	-163.1	-66.3	-152.1	117.7	0	0	116.4	F199	F199-E201 VanDerWaalsContact C-N 3.3Å; F199-E201 PolarHBondContact O-N 3.37Å; F199-E201 VanDerWaalsContact O-N 3.11Å
202	Q	37	Very low	38.4	Very low	183 Å²	183	158.2 Å²	158.2	86%	0.855	79%	0.786	S	S	*	*	G	3₁₀ helix	trans	-85.9	-18.5	-167.3	-66.4	-167.8	-0.9	0	0	116	R204	Q202-R204 PolarHBondContact O-N 2.99Å
203	Q	38.6	Very low	38.4	Very low	189 Å²	189	158.3 Å²	158.3	88%	0.883	78%	0.78	S	S	*	*	G	3₁₀ helix	trans	-69.7	-4	-176.5	-84.8	-165.2	1.3	0	0	115.9
204	R	39.1	Very low	38.6	Very low	138 Å²	138	158.1 Å²	158.1	52%	0.521	77%	0.772	S	S	.	*	G	3₁₀ helix	trans	-87.8	-7.1	-166.8	-84.7	-169.2	174.7	-171.6	2.8	117.9	Q202 F305	Q202-R204 PolarHBondContact O-N 2.99Å; R204-F305 VanDerWaalsContact NH1-CD2 3.34Å
205	H	41.7	Very low	38.9	Very low	186 Å²	186	161.7 Å²	161.7	86%	0.861	78%	0.775	S	S	*	*	G	3₁₀ helix	trans	-89.3	0.4	-168.1	-108.6	-77.3	0	0	0	117.5
206	L	38.9	Very low	39.3	Very low	166 Å²	166	160 Å²	160	87%	0.869	76%	0.756	S	S	*	*	S	Bend	trans	-123.2	6.1	-175.1	-75.9	174.7	0	0	0	117.2
207	L	34.7	Very low	39.9	Very low	161 Å²	161	154.3 Å²	154.3	84%	0.843	74%	0.74	S	S	*	*			trans	-123.1	82.8	-179.4	-72.9	175.1	0	0	0	114.2
208	G	36.2	Very low	40.5	Very low	59 Å²	59	155.7 Å²	155.7	61%	0.608	74%	0.74	S	S	*	*			trans	-74.9	149.2	165.3	0	0	0	0	0	113	K210	G208-K210 PolarHBondContact O-N 3.37Å
209	P	38.6	Very low	41.3	Very low	128 Å²	128	158.3 Å²	158.3	83%	0.831	74%	0.741	S	S	*	*			trans	-70.6	113.2	-172.3	26.9	-34.6	0	0	0	113.5	K211	P209-K211 VanDerWaalsContact C-N 3.3Å; P209-K211 PolarHBondContact O-N 3.24Å
210	K	38.9	Very low	41.7	Very low	202 Å²	202	154.9 Å²	154.9	88%	0.878	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	73.7	174.3	-67	-177.2	-179.7	177.3	0	112.9	G208	G208-K210 PolarHBondContact O-N 3.37Å
211	K	43.9	Very low	42.5	Very low	210 Å²	210	153.6 Å²	153.6	91%	0.913	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-158.5	20	160.5	-117.8	167.5	-172	-176.9	0	117	P209	P209-K211 VanDerWaalsContact C-N 3.3Å; P209-K211 PolarHBondContact O-N 3.24Å
212	K	42.4	Very low	43.3	Very low	152 Å²	152	147.5 Å²	147.5	66%	0.661	71%	0.71	S	S	*	*	S	Bend	trans	-112.3	-27.4	172.9	-90.4	-166.5	169.8	-167	0	116.5	F214 K215	K212-F214 PolarHBondContact O-N 3.04Å; K212-K215 PolarHBondContact O-N 3.06Å
213	K	41.2	Very low	44.1	Very low	164 Å²	164	146.1 Å²	146.1	71%	0.713	70%	0.701	S	S	*	*	H	α-helix	trans	-48.5	-52.1	-171.4	-81.1	-157.1	170.2	-162.7	0	113.8	K215 E216 D217	K213-K215 VanDerWaalsContact C-N 3.27Å; K213-K215 PolarHBondContact O-N 3.19Å; K213-E216 CarbonylContact O-C 3.53Å; K213-E216 WeakPolarHBondContact O-CA 3.38Å; K213-E216 PolarHBondContact O-N 2.98Å; K213-D217 VanDerWaalsContact C-OD2 3.25Å; K213-D217 WeakPolarHBondContact CB-OD2 3.47Å; K213-D217 PolarHBondContact O-N 3.19Å; K213-D217 VanDerWaalsContact O-OD2 3.13Å
214	F	41.6	Very low	44.4	Very low	173 Å²	173	142.3 Å²	142.3	76%	0.759	69%	0.686	S	S	*	*	H	α-helix	trans	-52.2	-35.6	-175.7	-129.9	-95.8	0	0	0	115.6	K212 K218	K212-F214 PolarHBondContact O-N 3.04Å; F214-K218 PolarHBondContact O-N 3.14Å
215	K	40.7	Very low	45.1	Very low	172 Å²	172	143.9 Å²	143.9	75%	0.748	70%	0.697	S	S	*	*	H	α-helix	trans	-86.7	-18.3	-179.9	-158.7	160.9	-170.1	163.7	0	113.2	K212 K213 K219	K212-K215 PolarHBondContact O-N 3.06Å; K213-K215 VanDerWaalsContact C-N 3.27Å; K213-K215 PolarHBondContact O-N 3.19Å; K215-K219 WeakPolarHBondContact O-CG 3.46Å
216	E	43.6	Very low	45.7	Very low	114 Å²	114	143.2 Å²	143.2	53%	0.533	69%	0.691	S	S	.	*	H	α-helix	trans	-84.8	-40.4	169	-74.3	171	-177.5	0	0	110.3	K213 K219 L220	K213-E216 CarbonylContact O-C 3.53Å; K213-E216 WeakPolarHBondContact O-CA 3.38Å; K213-E216 PolarHBondContact O-N 2.98Å; E216-K219 CarbonylContact O-C 3.46Å; E216-K219 WeakPolarHBondContact O-CA 3.46Å; E216-K219 WeakPolarHBondContact O-CB 3.45Å; E216-K219 PolarHBondContact O-N 3.39Å; E216-K219 VanDerWaalsContact O-N 3.08Å; E216-L220 WeakPolarHBondContact O-CB 3.25Å; E216-L220 PolarHBondContact O-N 3.43Å
217	D	45.3	Very low	46.2	Very low	79 Å²	79	140 Å²	140	42%	0.422	68%	0.679	S	S	.	*	H	α-helix	trans	-64.6	-43.2	175.2	-63.7	-39.8	0	0	0	112.4	K213 K219 L220 K221	K213-D217 VanDerWaalsContact C-OD2 3.25Å; K213-D217 WeakPolarHBondContact CB-OD2 3.47Å; K213-D217 PolarHBondContact O-N 3.19Å; K213-D217 VanDerWaalsContact O-OD2 3.13Å; D217-K219 VanDerWaalsContact C-N 3.29Å; D217-K219 PolarHBondContact O-N 2.84Å; D217-L220 PolarHBondContact O-N 2.83Å; D217-K221 WeakPolarHBondContact O-CB 3.48Å; D217-K221 PolarHBondContact O-N 3.15Å
218	K	54.1	Low	46.7	Very low	157 Å²	157	140.1 Å²	140.1	68%	0.683	67%	0.672	S	S	*	*	H	α-helix	trans	-60	-37.7	169.5	-85.9	-164.6	174.1	-171.7	0	111.2	F214 A222	F214-K218 PolarHBondContact O-N 3.14Å; K218-A222 WeakPolarHBondContact O-CB 3.4Å; K218-A222 PolarHBondContact O-N 3.05Å
219	K	53.2	Low	47.1	Very low	145 Å²	145	145.4 Å²	145.4	63%	0.63	68%	0.678	S	S	*	*	H	α-helix	trans	-70.4	-32.9	174.5	-82.3	-171.3	173.8	-170.1	0	113.5	K215 E216 D217 K223	K215-K219 WeakPolarHBondContact O-CG 3.46Å; E216-K219 CarbonylContact O-C 3.46Å; E216-K219 WeakPolarHBondContact O-CA 3.46Å; E216-K219 WeakPolarHBondContact O-CB 3.45Å; E216-K219 PolarHBondContact O-N 3.39Å; E216-K219 VanDerWaalsContact O-N 3.08Å; D217-K219 VanDerWaalsContact C-N 3.29Å; D217-K219 PolarHBondContact O-N 2.84Å; K219-K223 WeakPolarHBondContact O-CB 3.38Å; K219-K223 WeakPolarHBondContact O-CG 3.45Å; K219-K223 PolarHBondContact O-N 3.18Å
220	L	46	Very low	47.3	Very low	104 Å²	104	145.7 Å²	145.7	55%	0.545	67%	0.666	S	S	.	*	H	α-helix	trans	-75.9	-43	179.2	-135.7	155.3	0	0	0	110.4	E216 D217 K223 L224	E216-L220 WeakPolarHBondContact O-CB 3.25Å; E216-L220 PolarHBondContact O-N 3.43Å; D217-L220 PolarHBondContact O-N 2.83Å; L220-K223 PolarHBondContact O-N 2.69Å; L220-L224 HydrophobicContact CD2-CD1 3.76Å; L220-L224 WeakPolarHBondContact O-CD1 3.35Å; L220-L224 PolarHBondContact O-N 3.26Å
221	K	57.5	Low	47.5	Very low	162 Å²	162	144.4 Å²	144.4	70%	0.704	66%	0.656	S	S	*	*	H	α-helix	trans	-59.4	-42.4	167.3	-77.7	-171.5	172.7	-173.1	0	112.2	D217 L224 K225	D217-K221 WeakPolarHBondContact O-CB 3.48Å; D217-K221 PolarHBondContact O-N 3.15Å; K221-L224 PolarHBondContact O-N 3.04Å; K221-K225 PolarHBondContact O-N 3.32Å
222	A	56.9	Low	47.4	Very low	54 Å²	54	143.9 Å²	143.9	45%	0.446	65%	0.648	S	S	.	*	H	α-helix	trans	-65.6	-38.6	176.5	0	0	0	0	0	112.6	K218 K225 K226	K218-A222 WeakPolarHBondContact O-CB 3.4Å; K218-A222 PolarHBondContact O-N 3.05Å; A222-K225 PolarHBondContact O-N 3.09Å; A222-K226 PolarHBondContact O-N 3.29Å
223	K	52	Low	47.2	Very low	154 Å²	154	146.7 Å²	146.7	67%	0.67	66%	0.655	S	S	*	*	H	α-helix	trans	-66	-42.4	172	-77.6	-178.2	174.9	-169.3	0	111.9	K219 L220 K226 V227	K219-K223 WeakPolarHBondContact O-CB 3.38Å; K219-K223 WeakPolarHBondContact O-CG 3.45Å; K219-K223 PolarHBondContact O-N 3.18Å; L220-K223 PolarHBondContact O-N 2.69Å; K223-K226 PolarHBondContact O-N 2.81Å; K223-V227 WeakPolarHBondContact O-CG2 3.11Å; K223-V227 PolarHBondContact O-N 2.75Å
224	L	46.3	Very low	47.1	Very low	108 Å²	108	144.1 Å²	144.1	57%	0.565	65%	0.649	S	S	*	*	H	α-helix	trans	-64	-41.5	173.3	-100.6	79.7	0	0	0	112.4	L220 K221 V227 K228	L220-L224 HydrophobicContact CD2-CD1 3.76Å; L220-L224 WeakPolarHBondContact O-CD1 3.35Å; L220-L224 PolarHBondContact O-N 3.26Å; K221-L224 PolarHBondContact O-N 3.04Å; L224-V227 PolarHBondContact O-N 3.46Å; L224-K228 WeakPolarHBondContact O-CB 3.26Å; L224-K228 PolarHBondContact O-N 3.46Å
225	K	54.1	Low	46.9	Very low	172 Å²	172	142.2 Å²	142.2	75%	0.748	64%	0.642	S	S	*	*	H	α-helix	trans	-62.1	-41.2	173.2	-90.5	-166.2	172.7	-173.5	0	111.3	K221 A222 K229	K221-K225 PolarHBondContact O-N 3.32Å; A222-K225 PolarHBondContact O-N 3.09Å; K225-K229 WeakPolarHBondContact O-CB 3.44Å; K225-K229 PolarHBondContact O-N 2.9Å
226	K	52.8	Low	46.7	Very low	171 Å²	171	141.7 Å²	141.7	74%	0.743	64%	0.642	S	S	*	*	H	α-helix	trans	-66.5	-38.3	173.8	-77.7	-163	173.7	-167.7	0	113.1	A222 K223 K230	A222-K226 PolarHBondContact O-N 3.29Å; K223-K226 PolarHBondContact O-N 2.81Å; K226-K230 WeakPolarHBondContact O-CB 3.44Å; K226-K230 PolarHBondContact O-N 3.26Å
227	V	51	Low	46.1	Very low	100 Å²	100	146 Å²	146	61%	0.606	66%	0.66	S	S	*	*	H	α-helix	trans	-70.8	-42.1	176.7	171.8	0	0	0	0	111.8	K223 L224 K230 R231	K223-V227 WeakPolarHBondContact O-CG2 3.11Å; K223-V227 PolarHBondContact O-N 2.75Å; L224-V227 PolarHBondContact O-N 3.46Å; V227-K230 PolarHBondContact O-N 3.19Å; V227-R231 PolarHBondContact O-N 3.21Å
228	K	45.3	Very low	45.3	Very low	162 Å²	162	147.2 Å²	147.2	70%	0.704	68%	0.675	S	S	*	*	H	α-helix	trans	-65.6	-41.4	172.1	-89.1	-161.1	169.8	-167.9	0	112.5	L224 K230 R231 R232	L224-K228 WeakPolarHBondContact O-CB 3.26Å; L224-K228 PolarHBondContact O-N 3.46Å; K228-K230 VanDerWaalsContact C-N 3.28Å; K228-K230 PolarHBondContact O-N 3.39Å; K228-R231 PolarHBondContact O-N 2.74Å; K228-R232 WeakPolarHBondContact O-CB 3.45Å; K228-R232 PolarHBondContact O-N 3.32Å
229	K	44.2	Very low	44.2	Very low	170 Å²	170	144.6 Å²	144.6	74%	0.739	68%	0.676	S	S	*	*	H	α-helix	trans	-71.6	-20.5	177	-171.2	165.6	-176.8	172.1	0	112.8	K225	K225-K229 WeakPolarHBondContact O-CB 3.44Å; K225-K229 PolarHBondContact O-N 2.9Å
230	K	43.3	Very low	43.2	Very low	134 Å²	134	146.6 Å²	146.6	58%	0.583	69%	0.687	S	S	*	*	H	α-helix	trans	-74.6	-54.7	165.1	-175.3	164.2	-176.2	179.5	0	111	K226 V227 K228 R232 R233 D234	K226-K230 WeakPolarHBondContact O-CB 3.44Å; K226-K230 PolarHBondContact O-N 3.26Å; V227-K230 PolarHBondContact O-N 3.19Å; K228-K230 VanDerWaalsContact C-N 3.28Å; K228-K230 PolarHBondContact O-N 3.39Å; K230-R232 VanDerWaalsContact C-N 3.35Å; K230-R232 PolarHBondContact O-N 3.08Å; K230-R233 WeakPolarHBondContact O-CA 3.46Å; K230-R233 PolarHBondContact O-N 3.17Å; K230-D234 WeakPolarHBondContact CE-OD2 3.44Å; K230-D234 VanDerWaalsContact CG-OD2 3.26Å; K230-D234 WeakPolarHBondContact CG-OD2 3.23Å; K230-D234 VanDerWaalsContact O-CG 3.3Å; K230-D234 PolarHBondContact O-N 2.78Å; K230-D234 VanDerWaalsContact O-N 3.11Å
231	R	42.5	Very low	42.4	Very low	175 Å²	175	150.3 Å²	150.3	66%	0.66	70%	0.702	S	S	*	*	H	α-helix	trans	-51.1	-49.4	177.7	-110.9	-174.6	167.8	-173.6	-7.8	113.3	V227 K228 R233 D234 E235	V227-R231 PolarHBondContact O-N 3.21Å; K228-R231 PolarHBondContact O-N 2.74Å; R231-R233 PolarHBondContact O-N 3.27Å; R231-R233 VanDerWaalsContact O-N 3.13Å; R231-D234 PolarHBondContact O-N 3.5Å; R231-D234 VanDerWaalsContact O-N 3.09Å; R231-E235 WeakPolarHBondContact O-CG 3.41Å; R231-E235 PolarHBondContact O-N 2.88Å
232	R	40.4	Very low	41	Very low	199 Å²	199	148.2 Å²	148.2	75%	0.751	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-8.1	176.3	-95	-165.8	171.9	-167.5	-4.1	115.8	K228 K230	K228-R232 WeakPolarHBondContact O-CB 3.45Å; K228-R232 PolarHBondContact O-N 3.32Å; K230-R232 VanDerWaalsContact C-N 3.35Å; K230-R232 PolarHBondContact O-N 3.08Å
233	R	38.3	Very low	40.1	Very low	212 Å²	212	151.4 Å²	151.4	80%	0.8	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	-13.2	173.5	-157.1	179.5	-169.1	-166.4	2.7	112.4	K230 R231	K230-R233 WeakPolarHBondContact O-CA 3.46Å; K230-R233 PolarHBondContact O-N 3.17Å; R231-R233 PolarHBondContact O-N 3.27Å; R231-R233 VanDerWaalsContact O-N 3.13Å
234	D	39.1	Very low	39	Very low	110 Å²	110	155.9 Å²	155.9	59%	0.588	74%	0.737	S	S	*	*	S	Bend	trans	-97.6	4.7	176.1	-54.7	-18.7	0	0	0	111.1	K230 R231	K230-D234 WeakPolarHBondContact CE-OD2 3.44Å; K230-D234 VanDerWaalsContact CG-OD2 3.26Å; K230-D234 WeakPolarHBondContact CG-OD2 3.23Å; K230-D234 VanDerWaalsContact O-CG 3.3Å; K230-D234 PolarHBondContact O-N 2.78Å; K230-D234 VanDerWaalsContact O-N 3.11Å; R231-D234 PolarHBondContact O-N 3.5Å; R231-D234 VanDerWaalsContact O-N 3.09Å
235	E	37.9	Very low	38.2	Very low	132 Å²	132	160 Å²	160	62%	0.617	75%	0.753	S	S	*	*	S	Bend	trans	-116.5	0.5	-175.7	-76.9	167	176.8	0	0	113.7	R231	R231-E235 WeakPolarHBondContact O-CG 3.41Å; R231-E235 PolarHBondContact O-N 2.88Å
236	E	36.3	Very low	37.1	Very low	161 Å²	161	160.5 Å²	160.5	75%	0.752	76%	0.757	S	S	*	*	S	Bend	trans	-128.3	54	179	-71.2	-176.9	144.3	0	0	112.4
237	F	31.3	Very low	36.1	Very low	205 Å²	205	161.7 Å²	161.7	90%	0.899	77%	0.765	S	S	*	*	S	Bend	trans	-163	127	158.3	-113.2	-72	0	0	0	113
238	S	29.5	Very low	35.1	Very low	105 Å²	105	166.3 Å²	166.3	73%	0.734	78%	0.779	S	S	*	*			trans	39.1	121.2	160.8	-158	0	0	0	0	121.5
239	S	30	Very low	34.4	Very low	101 Å²	101	166.9 Å²	166.9	71%	0.706	79%	0.785	S	S	*	*			trans	-47	166	158.2	43.6	0	0	0	0	118.7
240	E	32.6	Very low	33.7	Very low	187 Å²	187	164.9 Å²	164.9	87%	0.874	79%	0.787	S	S	*	*			trans	97.7	154.8	159.3	-55.1	-140.9	116.9	0	0	120.5
241	E	28.3	Very low	33.3	Very low	183 Å²	183	168.3 Å²	168.3	86%	0.855	80%	0.802	S	S	*	*			trans	61	98.2	176.3	-61.4	-141.9	113.3	0	0	122.3
242	S	29.5	Very low	33	Very low	118 Å²	118	165.4 Å²	165.4	83%	0.825	80%	0.803	S	S	*	*			trans	54.7	147.9	134	-78.7	0	0	0	0	124
243	P	37.6	Very low	32.7	Very low	120 Å²	120	164.7 Å²	164.7	78%	0.779	81%	0.806	S	S	*	*			trans	-113.6	121.9	-156.2	36.8	-23.6	0	0	0	115.9
244	R	28.5	Very low	32.7	Very low	248 Å²	248	159.4 Å²	159.4	94%	0.936	81%	0.808	S	S	*	*			trans	-138.6	81.6	159.4	-73.6	-165.2	174.9	178.1	1.4	113.4	H246	R244-H246 PolarHBondContact O-N 3.28Å
245	H	30.7	Very low	32.6	Very low	196 Å²	196	163.1 Å²	163.1	91%	0.907	82%	0.819	S	S	*	*			trans	-75.6	110.2	172.8	-107.7	1.2	0	0	0	112.3
246	H	29.7	Very low	32.6	Very low	182 Å²	182	165 Å²	165	84%	0.843	83%	0.825	S	S	*	*			trans	-126.7	117.2	160.4	-89.3	9.6	0	0	0	110.1	R244	R244-H246 PolarHBondContact O-N 3.28Å
247	H	31.7	Very low	32.7	Very low	196 Å²	196	161.5 Å²	161.5	91%	0.907	82%	0.818	S	S	*	*			trans	-137.6	131.4	163.4	-115	54.3	0	0	0	111.2	Q249	H247-Q249 PolarHBondContact O-N 3.38Å
248	H	29.5	Very low	33.2	Very low	196 Å²	196	161.3 Å²	161.3	91%	0.907	82%	0.82	S	S	*	*			trans	-74.1	111.1	-173	-103.5	-84	0	0	0	111.5
249	Q	32.2	Very low	33.6	Very low	174 Å²	174	162.3 Å²	162.3	81%	0.813	82%	0.817	S	S	*	*			trans	-92.3	148	159.3	-136.9	-175.4	40.4	0	0	111.1	H247 K251	H247-Q249 PolarHBondContact O-N 3.38Å; Q249-K251 PolarHBondContact O-N 3.05Å
250	T	29.6	Very low	34	Very low	129 Å²	129	161.9 Å²	161.9	79%	0.791	82%	0.82	S	S	*	*			trans	-79.4	77.2	-155.6	-35.5	0	0	0	0	114.2	V252	T250-V252 VanDerWaalsContact C-N 3.34Å; T250-V252 HydrophobicContact CG2-CG2 4.43Å; T250-V252 PolarHBondContact O-N 3.44Å
251	K	34.3	Very low	34.3	Very low	206 Å²	206	156.6 Å²	156.6	90%	0.896	80%	0.802	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	78.6	178.4	-70.6	179.3	178.2	172.8	0	113.7	Q249	Q249-K251 PolarHBondContact O-N 3.05Å
252	V	36.9	Very low	35.2	Very low	113 Å²	113	153 Å²	153	69%	0.685	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.4	-36	171.3	-175.8	0	0	0	0	113.7	T250	T250-V252 VanDerWaalsContact C-N 3.34Å; T250-V252 HydrophobicContact CG2-CG2 4.43Å; T250-V252 PolarHBondContact O-N 3.44Å
253	F	33.7	Very low	35.9	Very low	184 Å²	184	153.9 Å²	153.9	81%	0.807	80%	0.797	S	S	*	*	S	Bend	trans	-110.3	-19.4	-172.7	-95.4	-90.9	0	0	0	116.6	K255	F253-K255 PolarHBondContact O-N 3.14Å
254	A	38.6	Very low	36.4	Very low	102 Å²	102	151.9 Å²	151.9	84%	0.843	80%	0.799	S	S	*	*	S	Bend	trans	-78.8	59.8	179.6	0	0	0	0	0	112.8
255	K	37.2	Very low	37	Very low	187 Å²	187	145.8 Å²	145.8	81%	0.813	79%	0.789	S	S	*	*	S	Bend	trans	-148.8	24.3	-179.7	-117.6	174.1	-173	177.8	0	114.9	F253	F253-K255 PolarHBondContact O-N 3.14Å
256	F	37.7	Very low	37.7	Very low	171 Å²	171	146.7 Å²	146.7	75%	0.75	79%	0.79	S	S	*	*			trans	-140.5	23.7	-179.3	-83.1	-72.4	0	0	0	113.9	V282	F256-V282 HydrophobicContact CE2-CG2 4.14Å; F256-V282 HydrophobicContact CZ-CG2 4Å
257	S	36.9	Very low	38.4	Very low	88 Å²	88	145.5 Å²	145.5	62%	0.615	78%	0.783	S	S	*	*			trans	-85.5	152.3	155	63.9	0	0	0	0	109.3	D259	S257-D259 WeakPolarHBondContact CB-OD2 3.36Å; S257-D259 PolarHBondContact OG-OD2 2.85Å
258	H	43.3	Very low	39.3	Very low	202 Å²	202	145.5 Å²	145.5	94%	0.935	78%	0.78	S	S	*	*			trans	-107.6	44.5	-176.6	-120.9	-72.5	0	0	0	111
259	D	37.2	Very low	40.1	Very low	125 Å²	125	144.9 Å²	144.9	67%	0.668	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-78.1	149.7	177.2	-50.3	-60.6	0	0	0	110.9	S257	S257-D259 WeakPolarHBondContact CB-OD2 3.36Å; S257-D259 PolarHBondContact OG-OD2 2.85Å
260	A	38.3	Very low	41.8	Very low	92 Å²	92	139.7 Å²	139.7	76%	0.76	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-67.3	139.9	178.4	0	0	0	0	0	111.1
261	P	39.5	Very low	43.6	Very low	77 Å²	77	136 Å²	136	50%	0.5	73%	0.734	S	S	.	*	P	Polyproline II helix	trans	-70.8	147.2	172.8	31.1	-34.1	0	0	0	110.3
262	P	47	Very low	45.1	Very low	106 Å²	106	132.6 Å²	132.6	69%	0.688	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-61.2	150.9	171.2	27.9	-35	0	0	0	110.8
263	P	44.1	Very low	46.5	Very low	137 Å²	137	134.9 Å²	134.9	89%	0.89	73%	0.728	S	S	*	*	S	Bend	trans	-62.1	143.4	176.3	27.5	-34.4	0	0	0	110.6
264	G	48	Very low	48.1	Very low	79 Å²	79	131.3 Å²	131.3	81%	0.814	71%	0.713	S	S	*	*			trans	111.2	21	169.2	0	0	0	0	0	118.7
265	T	41.2	Very low	49.7	Very low	120 Å²	120	130.3 Å²	130.3	74%	0.736	69%	0.693	S	S	*	*			trans	-132.4	131.6	162.9	52.4	0	0	0	0	113.4	K267	T265-K267 PolarHBondContact O-N 3.4Å
266	K	46.1	Very low	51.3	Low	214 Å²	214	124.6 Å²	124.6	93%	0.93	67%	0.672	S	S	*	*			trans	-71.3	111.7	-177.8	-66.3	-178.9	178.9	179.3	0	110.7	K268	K266-K268 PolarHBondContact O-N 3.11Å
267	K	42.4	Very low	53.1	Low	158 Å²	158	119.2 Å²	119.2	69%	0.687	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-68.9	117.4	179.1	-70.7	175.3	-179.3	168.1	0	111.5	T265	T265-K267 PolarHBondContact O-N 3.4Å
268	K	51.8	Low	54.8	Low	196 Å²	196	122.7 Å²	122.7	85%	0.852	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-76.5	121.2	157.4	-69.7	-170.9	177.2	-174.3	0	108.7	K266 L270	K266-K268 PolarHBondContact O-N 3.11Å; K268-L270 PolarHBondContact O-N 2.91Å
269	H	46.7	Very low	56.4	Low	182 Å²	182	121 Å²	121	84%	0.843	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-64.8	124	174.8	-93.6	-117.7	0	0	0	110.5
270	L	67	Low	58.4	Low	66 Å²	66	123.9 Å²	123.9	35%	0.346	65%	0.645	S	S	.	*	P	Polyproline II helix	trans	-77.3	138.8	165	-97.9	69.9	0	0	0	109	K268 Q274 L275	K268-L270 PolarHBondContact O-N 2.91Å; L270-Q274 HydrophobicContact CD2-CB 4.38Å; L270-Q274 HydrophobicContact CG-CB 4.47Å; L270-L275 HydrophobicContact CB-CG 4.48Å
271	S	66.9	Low	60.5	Low	52 Å²	52	127.5 Å²	127.5	36%	0.364	64%	0.644	S	S	.	*	P	Polyproline II helix	trans	-67	155.8	177	75.3	0	0	0	0	112	E273 Q274 L275	S271-E273 PolarHBondContact O-N 3.46Å; S271-Q274 PolarHBondContact O-N 3.22Å; S271-Q274 WeakPolarHBondContact OG-CG 3.39Å; S271-Q274 PolarHBondContact OG-N 2.93Å; S271-L275 PolarHBondContact O-N 3.38Å; S271-L275 VanDerWaalsContact O-N 3.08Å
272	I	67.6	Low	62.4	Low	134 Å²	134	126.6 Å²	126.6	69%	0.687	64%	0.637	S	S	*	*	H	α-helix	trans	-56.8	-35.8	176.9	-70.8	171.4	0	0	0	111	L275 N276	I272-L275 PolarHBondContact O-N 3.4Å; I272-N276 WeakPolarHBondContact O-CB 3.2Å; I272-N276 VanDerWaalsContact O-CG 3.29Å; I272-N276 PolarHBondContact O-N 2.99Å; I272-N276 PolarHBondContact O-ND2 3.06Å
273	E	64.8	Low	64	Low	161 Å²	161	129.6 Å²	129.6	75%	0.752	64%	0.635	S	S	*	*	H	α-helix	trans	-62.5	-44.4	172.5	-71	-163	107.1	0	0	113.2	S271 L275 N276 A277	S271-E273 PolarHBondContact O-N 3.46Å; E273-L275 VanDerWaalsContact C-N 3.3Å; E273-L275 PolarHBondContact O-N 3.47Å; E273-N276 CarbonylContact O-C 3.56Å; E273-N276 PolarHBondContact O-N 3Å; E273-A277 VanDerWaalsContact O-CB 3.3Å; E273-A277 WeakPolarHBondContact O-CB 3.44Å; E273-A277 PolarHBondContact O-N 3.5Å
274	Q	68.6	Low	65.6	Low	108 Å²	108	127.7 Å²	127.7	51%	0.505	62%	0.616	S	S	.	*	H	α-helix	trans	-67.2	-33.8	-179.6	-69.1	173.7	4.6	0	0	111.7	L270 S271 R278	L270-Q274 HydrophobicContact CD2-CB 4.38Å; L270-Q274 HydrophobicContact CG-CB 4.47Å; S271-Q274 PolarHBondContact O-N 3.22Å; S271-Q274 WeakPolarHBondContact OG-CG 3.39Å; S271-Q274 PolarHBondContact OG-N 2.93Å; Q274-R278 WeakPolarHBondContact O-CG 3.35Å; Q274-R278 PolarHBondContact O-N 3.46Å; Q274-R278 VanDerWaalsContact O-N 3.09Å
275	L	70.8	Confident	67.2	Low	81 Å²	81	126.2 Å²	126.2	42%	0.424	59%	0.594	S	S	.	*	H	α-helix	trans	-66.6	-45.2	169.5	-74.9	165.5	0	0	0	111.9	L270 S271 I272 E273 A277 R278 R279	L270-L275 HydrophobicContact CB-CG 4.48Å; S271-L275 PolarHBondContact O-N 3.38Å; S271-L275 VanDerWaalsContact O-N 3.08Å; I272-L275 PolarHBondContact O-N 3.4Å; E273-L275 VanDerWaalsContact C-N 3.3Å; E273-L275 PolarHBondContact O-N 3.47Å; L275-A277 PolarHBondContact O-N 3Å; L275-R278 PolarHBondContact O-N 3.39Å; L275-R279 WeakPolarHBondContact O-CG 3.47Å; L275-R279 PolarHBondContact O-N 3.07Å
276	N	72.4	Confident	69.1	Low	68 Å²	68	123.8 Å²	123.8	36%	0.364	58%	0.575	S	S	.	*	H	α-helix	trans	-67.4	-33.3	177.4	-75.1	-24.3	0	0	0	112.7	I272 E273 R279 R280	I272-N276 WeakPolarHBondContact O-CB 3.2Å; I272-N276 VanDerWaalsContact O-CG 3.29Å; I272-N276 PolarHBondContact O-N 2.99Å; I272-N276 PolarHBondContact O-ND2 3.06Å; E273-N276 CarbonylContact O-C 3.56Å; E273-N276 PolarHBondContact O-N 3Å; N276-R279 PolarHBondContact O-N 2.92Å; N276-R280 WeakPolarHBondContact O-CB 3.3Å; N276-R280 WeakPolarHBondContact O-CG 3.49Å; N276-R280 PolarHBondContact O-N 3.49Å
277	A	75.1	Confident	70.6	Confident	57 Å²	57	117.1 Å²	117.1	47%	0.471	55%	0.552	S	S	.	*	H	α-helix	trans	-65.5	-42.4	171.8	0	0	0	0	0	111.5	E273 L275 R280 K281	E273-A277 VanDerWaalsContact O-CB 3.3Å; E273-A277 WeakPolarHBondContact O-CB 3.44Å; E273-A277 PolarHBondContact O-N 3.5Å; L275-A277 PolarHBondContact O-N 3Å; A277-R280 PolarHBondContact O-N 3.45Å; A277-K281 WeakPolarHBondContact O-CB 3.49Å; A277-K281 PolarHBondContact O-N 3.15Å
278	R	72.9	Confident	72.3	Confident	162 Å²	162	117 Å²	117	61%	0.611	55%	0.552	S	S	*	*	H	α-helix	trans	-61.9	-46.8	171.5	-76.4	-178.1	178.7	-179.9	3.6	111.8	Q274 L275 R280 K281 V282	Q274-R278 WeakPolarHBondContact O-CG 3.35Å; Q274-R278 PolarHBondContact O-N 3.46Å; Q274-R278 VanDerWaalsContact O-N 3.09Å; L275-R278 PolarHBondContact O-N 3.39Å; R278-R280 PolarHBondContact O-N 2.79Å; R278-K281 PolarHBondContact O-N 2.83Å; R278-K281 VanDerWaalsContact O-N 3.14Å; R278-V282 PolarHBondContact O-N 2.8Å
279	R	75.1	Confident	73.5	Confident	165 Å²	165	113.8 Å²	113.8	62%	0.623	54%	0.538	S	S	*	.	H	α-helix	trans	-56.6	-49.3	174.8	-73	172.5	172	173.1	-5.1	111.5	L275 N276 K281 V282 W283	L275-R279 WeakPolarHBondContact O-CG 3.47Å; L275-R279 PolarHBondContact O-N 3.07Å; N276-R279 PolarHBondContact O-N 2.92Å; R279-K281 VanDerWaalsContact C-N 3.33Å; R279-K281 PolarHBondContact O-N 2.92Å; R279-V282 PolarHBondContact O-N 3.43Å; R279-W283 VanDerWaalsContact O-CD1 3.25Å; R279-W283 PolarHBondContact O-N 3.42Å
280	R	79.4	Confident	75	Confident	187 Å²	187	109 Å²	109	71%	0.706	52%	0.516	S	S	*	.	H	α-helix	trans	-56.8	-42.5	173.9	-78.8	180	174	172.7	-0.5	112.2	N276 A277 R278 V282 W283 L284	N276-R280 WeakPolarHBondContact O-CB 3.3Å; N276-R280 WeakPolarHBondContact O-CG 3.49Å; N276-R280 PolarHBondContact O-N 3.49Å; A277-R280 PolarHBondContact O-N 3.45Å; R278-R280 PolarHBondContact O-N 2.79Å; R280-V282 PolarHBondContact O-N 3.17Å; R280-W283 PolarHBondContact O-N 3.39Å; R280-L284 WeakPolarHBondContact O-CB 3.35Å; R280-L284 VanDerWaalsContact O-CG 3.26Å; R280-L284 WeakPolarHBondContact O-CG 3.39Å; R280-L284 PolarHBondContact O-N 2.87Å
281	K	82.4	Confident	75.1	Confident	167 Å²	167	110.8 Å²	110.8	73%	0.726	53%	0.525	S	S	*	.	H	α-helix	trans	-66.5	-35.2	179.8	-158.7	169	-172.9	173.6	0	112.6	A277 R278 R279 S285	A277-K281 WeakPolarHBondContact O-CB 3.49Å; A277-K281 PolarHBondContact O-N 3.15Å; R278-K281 PolarHBondContact O-N 2.83Å; R278-K281 VanDerWaalsContact O-N 3.14Å; R279-K281 VanDerWaalsContact C-N 3.33Å; R279-K281 PolarHBondContact O-N 2.92Å; K281-S285 PolarHBondContact O-N 2.84Å
282	V	79.7	Confident	75.7	Confident	58 Å²	58	111.6 Å²	111.6	35%	0.352	53%	0.529	S	S	.	.	H	α-helix	trans	-68.9	-50.2	172.2	173.4	0	0	0	0	111.3	F256 R278 R279 R280 L284 S285 I286	F256-V282 HydrophobicContact CE2-CG2 4.14Å; F256-V282 HydrophobicContact CZ-CG2 4Å; R278-V282 PolarHBondContact O-N 2.8Å; R279-V282 PolarHBondContact O-N 3.43Å; R280-V282 PolarHBondContact O-N 3.17Å; V282-L284 VanDerWaalsContact C-N 3.32Å; V282-L284 PolarHBondContact O-N 2.87Å; V282-S285 WeakPolarHBondContact O-CA 3.47Å; V282-S285 WeakPolarHBondContact O-CB 3.28Å; V282-S285 PolarHBondContact O-N 3.04Å; V282-I286 HydrophobicContact CG1-CD1 4.02Å; V282-I286 PolarHBondContact O-N 2.75Å
283	W	80.7	Confident	76.4	Confident	170 Å²	170	110.3 Å²	110.3	64%	0.644	52%	0.518	S	S	*	.	H	α-helix	trans	-56.4	-44	176.5	-82.4	113.8	0	0	0	112.5	R279 R280 S285 I286 V287	R279-W283 VanDerWaalsContact O-CD1 3.25Å; R279-W283 PolarHBondContact O-N 3.42Å; R280-W283 PolarHBondContact O-N 3.39Å; W283-S285 VanDerWaalsContact C-N 3.26Å; W283-S285 PolarHBondContact O-N 2.83Å; W283-I286 HydrophobicContact CE3-CD1 4.49Å; W283-I286 PolarHBondContact O-N 2.9Å; W283-V287 WeakPolarHBondContact O-CB 3.29Å; W283-V287 WeakPolarHBondContact O-CG2 3.23Å; W283-V287 PolarHBondContact O-N 3.26Å
284	L	78.8	Confident	77	Confident	96 Å²	96	105.1 Å²	105.1	50%	0.503	50%	0.503	S	S	.	.	H	α-helix	trans	-61.9	-31	174.1	-74.7	168.5	0	0	0	112.9	R280 V282 K288	R280-L284 WeakPolarHBondContact O-CB 3.35Å; R280-L284 VanDerWaalsContact O-CG 3.26Å; R280-L284 WeakPolarHBondContact O-CG 3.39Å; R280-L284 PolarHBondContact O-N 2.87Å; V282-L284 VanDerWaalsContact C-N 3.32Å; V282-L284 PolarHBondContact O-N 2.87Å; L284-K288 WeakPolarHBondContact O-CB 3.32Å; L284-K288 VanDerWaalsContact O-CG 3.26Å; L284-K288 WeakPolarHBondContact O-CG 3.36Å; L284-K288 PolarHBondContact O-N 3.35Å
285	S	80.9	Confident	77.6	Confident	49 Å²	49	105.2 Å²	105.2	34%	0.343	51%	0.507	S	S	.	.	H	α-helix	trans	-72.7	-43.2	173.9	-166.5	0	0	0	0	111.9	K281 V282 W283 K288 K289	K281-S285 PolarHBondContact O-N 2.84Å; V282-S285 WeakPolarHBondContact O-CA 3.47Å; V282-S285 WeakPolarHBondContact O-CB 3.28Å; V282-S285 PolarHBondContact O-N 3.04Å; W283-S285 VanDerWaalsContact C-N 3.26Å; W283-S285 PolarHBondContact O-N 2.83Å; S285-K288 PolarHBondContact O-N 2.86Å; S285-K289 VanDerWaalsContact O-CB 3.31Å; S285-K289 WeakPolarHBondContact O-CB 3.29Å; S285-K289 PolarHBondContact O-N 2.75Å
286	I	80.4	Confident	78.3	Confident	69 Å²	69	109.2 Å²	109.2	35%	0.354	52%	0.521	S	S	.	.	I	π-helix	trans	-60.4	-49.9	176.8	-64.6	168.8	0	0	0	110.1	V282 W283 E290 L291	V282-I286 HydrophobicContact CG1-CD1 4.02Å; V282-I286 PolarHBondContact O-N 2.75Å; W283-I286 HydrophobicContact CE3-CD1 4.49Å; W283-I286 PolarHBondContact O-N 2.9Å; I286-E290 PolarHBondContact O-N 3.24Å; I286-L291 PolarHBondContact O-N 2.99Å
287	V	77.7	Confident	78.8	Confident	73 Å²	73	112.6 Å²	112.6	44%	0.442	54%	0.535	S	S	.	.	I	π-helix	trans	-65.5	-40.9	-179.5	173.5	0	0	0	0	112.4	W283 L291 P292	W283-V287 WeakPolarHBondContact O-CB 3.29Å; W283-V287 WeakPolarHBondContact O-CG2 3.23Å; W283-V287 PolarHBondContact O-N 3.26Å; V287-L291 HydrophobicContact CG2-CD1 4.44Å; V287-P292 WeakPolarHBondContact O-CD 3.47Å
288	K	78.5	Confident	79.1	Confident	155 Å²	155	117.7 Å²	117.7	67%	0.674	55%	0.546	S	S	*	.	I	π-helix	trans	-86.4	-24	-176.8	-67.6	-177	175.3	-172.2	0	115	L284 S285	L284-K288 WeakPolarHBondContact O-CB 3.32Å; L284-K288 VanDerWaalsContact O-CG 3.26Å; L284-K288 WeakPolarHBondContact O-CG 3.36Å; L284-K288 PolarHBondContact O-N 3.35Å; S285-K288 PolarHBondContact O-N 2.86Å
289	K	77	Confident	79.6	Confident	129 Å²	129	112.7 Å²	112.7	56%	0.561	54%	0.536	S	S	*	.	I	π-helix	trans	-117.1	-47.5	-174.4	-60.3	-171.4	177.4	-176.6	0	113.5	S285 K293	S285-K289 VanDerWaalsContact O-CB 3.31Å; S285-K289 WeakPolarHBondContact O-CB 3.29Å; S285-K289 PolarHBondContact O-N 2.75Å; K289-K293 VanDerWaalsContact O-CD 3.27Å; K289-K293 WeakPolarHBondContact O-CD 3.31Å; K289-K293 WeakPolarHBondContact O-CG 3.42Å; K289-K293 PolarHBondContact O-N 3.45Å
290	E	77.6	Confident	80	Confident	81 Å²	81	108.4 Å²	108.4	38%	0.379	53%	0.531	S	S	.	.	I	π-helix	trans	-86.9	-41.9	-170.1	-51.7	-42.4	122.2	0	0	112.7	I286 K293 A294	I286-E290 PolarHBondContact O-N 3.24Å; E290-K293 PolarHBondContact O-N 2.93Å; E290-K293 IonicContact OE1-NZ 2.89Å; E290-K293 PolarHBondContact OE1-NZ 3.21Å; E290-K293 VanDerWaalsContact OE2-CD 3.28Å; E290-K293 WeakPolarHBondContact OE2-CD 3.29Å; E290-K293 IonicContact OE2-NZ 2.66Å; E290-K293 PolarHBondContact OE2-NZ 2.96Å; E290-A294 WeakPolarHBondContact O-CB 3.26Å; E290-A294 PolarHBondContact O-N 3.49Å
291	L	70.5	Confident	80	Confident	105 Å²	105	102.3 Å²	102.3	55%	0.55	52%	0.521	S	S	.	.	H	α-helix	trans	-57.3	-47.2	174.3	-107.5	159.4	0	0	0	113	I286 V287 A294 N295	I286-L291 PolarHBondContact O-N 2.99Å; V287-L291 HydrophobicContact CG2-CD1 4.44Å; L291-A294 PolarHBondContact O-N 2.87Å; L291-N295 PolarHBondContact O-N 3.47Å
292	P	78.6	Confident	80	Confident	68 Å²	68	103 Å²	103	44%	0.442	52%	0.519	S	S	.	.	H	α-helix	trans	-66.1	-36	175.9	-24.9	36.7	0	0	0	113.6	V287 K296	V287-P292 WeakPolarHBondContact O-CD 3.47Å; P292-K296 WeakPolarHBondContact O-CB 3.38Å; P292-K296 PolarHBondContact O-N 2.92Å
293	K	81.8	Confident	80.2	Confident	107 Å²	107	104.4 Å²	104.4	47%	0.465	53%	0.525	S	S	.	.	H	α-helix	trans	-62.4	-49.5	172.7	-75	166.8	-171.4	170.3	0	111.2	K289 E290 N295 K296 Q297	K289-K293 VanDerWaalsContact O-CD 3.27Å; K289-K293 WeakPolarHBondContact O-CD 3.31Å; K289-K293 WeakPolarHBondContact O-CG 3.42Å; K289-K293 PolarHBondContact O-N 3.45Å; E290-K293 PolarHBondContact O-N 2.93Å; E290-K293 IonicContact OE1-NZ 2.89Å; E290-K293 PolarHBondContact OE1-NZ 3.21Å; E290-K293 VanDerWaalsContact OE2-CD 3.28Å; E290-K293 WeakPolarHBondContact OE2-CD 3.29Å; E290-K293 IonicContact OE2-NZ 2.66Å; E290-K293 PolarHBondContact OE2-NZ 2.96Å; K293-N295 PolarHBondContact O-N 2.96Å; K293-K296 CarbonylContact O-C 3.57Å; K293-K296 PolarHBondContact O-N 3.44Å; K293-Q297 WeakPolarHBondContact O-CB 3.42Å; K293-Q297 WeakPolarHBondContact O-CG 3.26Å; K293-Q297 PolarHBondContact O-N 3.1Å
294	A	77.9	Confident	80.5	Confident	52 Å²	52	100.9 Å²	100.9	43%	0.43	52%	0.518	S	S	.	.	H	α-helix	trans	-61.6	-43.4	-178.9	0	0	0	0	0	111.5	E290 L291 Q297 K298	E290-A294 WeakPolarHBondContact O-CB 3.26Å; E290-A294 PolarHBondContact O-N 3.49Å; L291-A294 PolarHBondContact O-N 2.87Å; A294-Q297 PolarHBondContact O-N 3.38Å; A294-K298 WeakPolarHBondContact O-CB 3.46Å; A294-K298 PolarHBondContact O-N 2.84Å
295	N	81.2	Confident	80.6	Confident	110 Å²	110	100.7 Å²	100.7	59%	0.588	51%	0.513	S	S	*	.	H	α-helix	trans	-65	-42.1	174.5	-168.3	20	0	0	0	112	L291 K293 Q297 K298 S299	L291-N295 PolarHBondContact O-N 3.47Å; K293-N295 PolarHBondContact O-N 2.96Å; N295-Q297 VanDerWaalsContact C-N 3.32Å; N295-Q297 PolarHBondContact O-N 3.22Å; N295-K298 PolarHBondContact O-N 3.38Å; N295-S299 WeakPolarHBondContact O-CB 3.3Å; N295-S299 PolarHBondContact O-N 3.03Å
296	K	85.6	Confident	80.6	Confident	166 Å²	166	102.6 Å²	102.6	72%	0.722	52%	0.519	S	S	*	.	H	α-helix	trans	-64	-35.5	175.9	-168.1	168.4	-174.7	171.7	0	112.2	P292 K293 S300	P292-K296 WeakPolarHBondContact O-CB 3.38Å; P292-K296 PolarHBondContact O-N 2.92Å; K293-K296 CarbonylContact O-C 3.57Å; K293-K296 PolarHBondContact O-N 3.44Å; K296-S300 WeakPolarHBondContact O-CB 3.28Å; K296-S300 PolarHBondContact O-N 2.87Å
297	Q	82.4	Confident	80.8	Confident	139 Å²	139	102.4 Å²	102.4	65%	0.65	52%	0.521	S	S	*	.	H	α-helix	trans	-67.5	-47	171.4	-75.9	175.1	-19.8	0	0	111.9	K293 A294 N295 S299 S300 A301	K293-Q297 WeakPolarHBondContact O-CB 3.42Å; K293-Q297 WeakPolarHBondContact O-CG 3.26Å; K293-Q297 PolarHBondContact O-N 3.1Å; A294-Q297 PolarHBondContact O-N 3.38Å; N295-Q297 VanDerWaalsContact C-N 3.32Å; N295-Q297 PolarHBondContact O-N 3.22Å; Q297-S299 PolarHBondContact O-N 2.78Å; Q297-S300 PolarHBondContact O-N 2.89Å; Q297-A301 WeakPolarHBondContact O-CB 3.5Å; Q297-A301 PolarHBondContact O-N 3.09Å
298	K	82.5	Confident	81.1	Confident	163 Å²	163	102.5 Å²	102.5	71%	0.709	52%	0.519	S	S	*	.	H	α-helix	trans	-60.8	-43.7	177.2	-171.2	173.1	-176.9	174.4	0	112.1	A294 N295 A301 R302	A294-K298 WeakPolarHBondContact O-CB 3.46Å; A294-K298 PolarHBondContact O-N 2.84Å; N295-K298 PolarHBondContact O-N 3.38Å; K298-A301 PolarHBondContact O-N 3.44Å; K298-R302 PolarHBondContact O-N 3.39Å
299	S	82.5	Confident	80.9	Confident	57 Å²	57	97.4 Å²	97.4	40%	0.399	50%	0.503	S	S	.	.	H	α-helix	trans	-65.2	-44.4	174.3	-177.4	0	0	0	0	111.9	N295 Q297 A301 R302 N303	N295-S299 WeakPolarHBondContact O-CB 3.3Å; N295-S299 PolarHBondContact O-N 3.03Å; Q297-S299 PolarHBondContact O-N 2.78Å; S299-A301 PolarHBondContact O-N 3.09Å; S299-R302 PolarHBondContact O-N 2.98Å; S299-N303 WeakPolarHBondContact O-CB 3.36Å; S299-N303 VanDerWaalsContact O-CG 3.32Å; S299-N303 PolarHBondContact O-N 3.06Å; S299-N303 PolarHBondContact O-ND2 3.21Å
300	S	83.4	Confident	81.1	Confident	75 Å²	75	101 Å²	101	52%	0.524	51%	0.513	S	S	.	.	H	α-helix	trans	-59.1	-44	173.9	-174.1	0	0	0	0	112.1	K296 Q297 N303 L304	K296-S300 WeakPolarHBondContact O-CB 3.28Å; K296-S300 PolarHBondContact O-N 2.87Å; Q297-S300 PolarHBondContact O-N 2.89Å; S300-N303 PolarHBondContact O-N 3.18Å; S300-L304 VanDerWaalsContact O-CB 3.25Å; S300-L304 WeakPolarHBondContact O-CB 3.2Å; S300-L304 PolarHBondContact O-N 3.43Å
301	A	79.6	Confident	81.5	Confident	59 Å²	59	103 Å²	103	49%	0.488	52%	0.521	S	S	.	.	H	α-helix	trans	-63.9	-43.4	176.7	0	0	0	0	0	112.4	Q297 K298 S299 L304 F305	Q297-A301 WeakPolarHBondContact O-CB 3.5Å; Q297-A301 PolarHBondContact O-N 3.09Å; K298-A301 PolarHBondContact O-N 3.44Å; S299-A301 PolarHBondContact O-N 3.09Å; A301-L304 PolarHBondContact O-N 3.26Å; A301-F305 WeakPolarHBondContact O-CB 3.44Å; A301-F305 PolarHBondContact O-N 3.13Å
302	R	83.1	Confident	82	Confident	182 Å²	182	103 Å²	103	69%	0.687	52%	0.521	S	S	*	.	H	α-helix	trans	-61.5	-43.7	174.1	178.1	172	170.2	148	-2.9	111.8	K298 S299 F305 L306	K298-R302 PolarHBondContact O-N 3.39Å; S299-R302 PolarHBondContact O-N 2.98Å; R302-F305 PolarHBondContact O-N 3.39Å; R302-L306 HydrophobicContact CG-CD1 4.12Å; R302-L306 WeakPolarHBondContact O-CG 3.48Å; R302-L306 PolarHBondContact O-N 3.25Å
303	N	83.6	Confident	82.1	Confident	87 Å²	87	102.6 Å²	102.6	47%	0.465	52%	0.523	S	S	.	.	H	α-helix	trans	-70.4	-35.9	178.3	-70.2	-30.1	0	0	0	112.4	S299 S300 T307	S299-N303 WeakPolarHBondContact O-CB 3.36Å; S299-N303 VanDerWaalsContact O-CG 3.32Å; S299-N303 PolarHBondContact O-N 3.06Å; S299-N303 PolarHBondContact O-ND2 3.21Å; S300-N303 PolarHBondContact O-N 3.18Å; N303-T307 WeakPolarHBondContact O-CB 3.48Å; N303-T307 WeakPolarHBondContact O-CG2 3.2Å; N303-T307 PolarHBondContact O-N 2.82Å; N303-T307 PolarHBondContact O-OG1 3.46Å
304	L	87.3	Confident	82.3	Confident	96 Å²	96	103.6 Å²	103.6	50%	0.503	53%	0.529	S	S	.	.	H	α-helix	trans	-64.4	-42	171.6	-178.9	61.1	0	0	0	111.1	S300 A301 T307 N308	S300-L304 VanDerWaalsContact O-CB 3.25Å; S300-L304 WeakPolarHBondContact O-CB 3.2Å; S300-L304 PolarHBondContact O-N 3.43Å; A301-L304 PolarHBondContact O-N 3.26Å; L304-T307 PolarHBondContact O-OG1 2.78Å; L304-N308 WeakPolarHBondContact O-CB 3.42Å; L304-N308 PolarHBondContact O-N 3.44Å; L304-N308 PolarHBondContact O-ND2 3.48Å
305	F	81.3	Confident	82.4	Confident	92 Å²	92	106.7 Å²	106.7	40%	0.404	54%	0.535	S	S	.	.	H	α-helix	trans	-63.1	-52.3	174.5	174.9	-132.1	0	0	0	111.5	R204 A301 R302 T307 N308 S309	R204-F305 VanDerWaalsContact NH1-CD2 3.34Å; A301-F305 WeakPolarHBondContact O-CB 3.44Å; A301-F305 PolarHBondContact O-N 3.13Å; R302-F305 PolarHBondContact O-N 3.39Å; F305-T307 VanDerWaalsContact C-N 3.34Å; F305-T307 PolarHBondContact O-N 2.72Å; F305-N308 PolarHBondContact O-N 3.29Å; F305-N308 VanDerWaalsContact O-N 3.16Å; F305-S309 WeakPolarHBondContact CE2-OG 3.33Å; F305-S309 PolarHBondContact O-N 2.75Å; F305-S309 PolarHBondContact O-OG 3.16Å
306	L	81.4	Confident	82.1	Confident	89 Å²	89	104.8 Å²	104.8	47%	0.466	53%	0.529	S	S	.	.	H	α-helix	trans	-59.1	-42	179	-71.6	170.4	0	0	0	112.5	R302 R310	R302-L306 HydrophobicContact CG-CD1 4.12Å; R302-L306 WeakPolarHBondContact O-CG 3.48Å; R302-L306 PolarHBondContact O-N 3.25Å; L306-R310 WeakPolarHBondContact O-CB 3.44Å; L306-R310 PolarHBondContact O-N 2.77Å
307	T	84.3	Confident	82.1	Confident	66 Å²	66	102.6 Å²	102.6	41%	0.405	52%	0.523	S	S	.	.	H	α-helix	trans	-71.4	-33.3	176.8	54.2	0	0	0	0	112.8	N303 L304 F305 K311	N303-T307 WeakPolarHBondContact O-CB 3.48Å; N303-T307 WeakPolarHBondContact O-CG2 3.2Å; N303-T307 PolarHBondContact O-N 2.82Å; N303-T307 PolarHBondContact O-OG1 3.46Å; L304-T307 PolarHBondContact O-OG1 2.78Å; F305-T307 VanDerWaalsContact C-N 3.34Å; F305-T307 PolarHBondContact O-N 2.72Å; T307-K311 WeakPolarHBondContact O-CB 3.35Å; T307-K311 WeakPolarHBondContact O-CD 3.44Å; T307-K311 WeakPolarHBondContact O-CG 3.37Å; T307-K311 PolarHBondContact O-N 2.83Å
308	N	83.9	Confident	82.1	Confident	75 Å²	75	101.9 Å²	101.9	40%	0.401	52%	0.518	S	S	.	.	H	α-helix	trans	-71.1	-42.4	173.7	-73.9	-11.9	0	0	0	112	L304 F305 R310 K311 L312	L304-N308 WeakPolarHBondContact O-CB 3.42Å; L304-N308 PolarHBondContact O-N 3.44Å; L304-N308 PolarHBondContact O-ND2 3.48Å; F305-N308 PolarHBondContact O-N 3.29Å; F305-N308 VanDerWaalsContact O-N 3.16Å; N308-R310 VanDerWaalsContact C-N 3.34Å; N308-R310 PolarHBondContact O-N 3.09Å; N308-K311 PolarHBondContact O-N 3.36Å; N308-L312 WeakPolarHBondContact O-CB 3.46Å; N308-L312 PolarHBondContact O-N 3.24Å
309	S	72.9	Confident	82.1	Confident	48 Å²	48	98.6 Å²	98.6	34%	0.336	51%	0.505	S	S	.	.	H	α-helix	trans	-61.2	-41.8	172.8	-68.5	0	0	0	0	111.8	F305 L312 A313	F305-S309 WeakPolarHBondContact CE2-OG 3.33Å; F305-S309 PolarHBondContact O-N 2.75Å; F305-S309 PolarHBondContact O-OG 3.16Å; S309-L312 PolarHBondContact O-N 3.21Å; S309-A313 WeakPolarHBondContact O-CB 3.4Å; S309-A313 PolarHBondContact O-N 3.36Å
310	R	82.9	Confident	81.9	Confident	205 Å²	205	101 Å²	101	77%	0.774	52%	0.517	S	S	*	.	H	α-helix	trans	-65.5	-39.8	176	-158.6	175.3	-162.9	171.1	6.3	111.8	L306 N308 H314	L306-R310 WeakPolarHBondContact O-CB 3.44Å; L306-R310 PolarHBondContact O-N 2.77Å; N308-R310 VanDerWaalsContact C-N 3.34Å; N308-R310 PolarHBondContact O-N 3.09Å; R310-H314 VanDerWaalsContact O-CB 3.3Å; R310-H314 WeakPolarHBondContact O-CB 3.37Å; R310-H314 PolarHBondContact O-N 3.43Å
311	K	85.3	Confident	81.7	Confident	121 Å²	121	105.7 Å²	105.7	53%	0.526	52%	0.523	S	S	.	.	H	α-helix	trans	-64	-44.6	172.7	-75.8	165.7	-174.8	170.9	0	112	T307 N308 H314 Q315	T307-K311 WeakPolarHBondContact O-CB 3.35Å; T307-K311 WeakPolarHBondContact O-CD 3.44Å; T307-K311 WeakPolarHBondContact O-CG 3.37Å; T307-K311 PolarHBondContact O-N 2.83Å; N308-K311 PolarHBondContact O-N 3.36Å; K311-H314 CarbonylContact O-C 3.57Å; K311-H314 PolarHBondContact O-N 3.39Å; K311-Q315 WeakPolarHBondContact O-CB 3.44Å; K311-Q315 WeakPolarHBondContact O-CG 3.2Å; K311-Q315 PolarHBondContact O-N 2.86Å
312	L	81.6	Confident	81.7	Confident	105 Å²	105	108.1 Å²	108.1	55%	0.55	52%	0.52	S	S	.	.	H	α-helix	trans	-62.3	-51.3	178.9	-175.3	69.3	0	0	0	110.6	N308 S309 H314 Q315 C316	N308-L312 WeakPolarHBondContact O-CB 3.46Å; N308-L312 PolarHBondContact O-N 3.24Å; S309-L312 PolarHBondContact O-N 3.21Å; L312-H314 VanDerWaalsContact C-N 3.27Å; L312-H314 PolarHBondContact O-N 3Å; L312-Q315 CarbonylContact O-C 3.49Å; L312-Q315 WeakPolarHBondContact O-CA 3.49Å; L312-Q315 WeakPolarHBondContact O-CB 3.37Å; L312-Q315 PolarHBondContact O-N 2.92Å; L312-C316 PolarHBondContact O-N 2.92Å; L312-C316 PolarHBondContact O-SG 2.99Å
313	A	79.4	Confident	81.3	Confident	60 Å²	60	102.5 Å²	102.5	50%	0.496	51%	0.512	S	S	.	.	H	α-helix	trans	-57.5	-40.4	175.8	0	0	0	0	0	112.1	S309 M317	S309-A313 WeakPolarHBondContact O-CB 3.4Å; S309-A313 PolarHBondContact O-N 3.36Å; A313-M317 VanDerWaalsContact O-CB 3.25Å; A313-M317 WeakPolarHBondContact O-CB 2.92Å; A313-M317 PolarHBondContact O-N 3.29Å
314	H	85.8	Confident	81	Confident	128 Å²	128	101.3 Å²	101.3	59%	0.593	51%	0.514	S	S	*	.	H	α-helix	trans	-72.2	-29.7	176.7	-146.2	72.6	0	0	0	112.9	R310 K311 L312 K318	R310-H314 VanDerWaalsContact O-CB 3.3Å; R310-H314 WeakPolarHBondContact O-CB 3.37Å; R310-H314 PolarHBondContact O-N 3.43Å; K311-H314 CarbonylContact O-C 3.57Å; K311-H314 PolarHBondContact O-N 3.39Å; L312-H314 VanDerWaalsContact C-N 3.27Å; L312-H314 PolarHBondContact O-N 3Å; H314-K318 WeakPolarHBondContact O-CB 2.94Å; H314-K318 PolarHBondContact O-N 3.06Å
315	Q	80.7	Confident	80.5	Confident	118 Å²	118	101 Å²	101	55%	0.551	51%	0.513	S	S	*	.	H	α-helix	trans	-70.6	-49.1	171.1	-79	174.9	-33.9	0	0	111	K311 L312 M317 K318 E319	K311-Q315 WeakPolarHBondContact O-CB 3.44Å; K311-Q315 WeakPolarHBondContact O-CG 3.2Å; K311-Q315 PolarHBondContact O-N 2.86Å; L312-Q315 CarbonylContact O-C 3.49Å; L312-Q315 WeakPolarHBondContact O-CA 3.49Å; L312-Q315 WeakPolarHBondContact O-CB 3.37Å; L312-Q315 PolarHBondContact O-N 2.92Å; Q315-M317 PolarHBondContact O-N 2.79Å; Q315-K318 CarbonylContact O-C 3.5Å; Q315-K318 WeakPolarHBondContact O-CA 3.44Å; Q315-K318 PolarHBondContact O-N 3.43Å; Q315-E319 WeakPolarHBondContact O-CG 3.45Å; Q315-E319 PolarHBondContact O-N 3.05Å
316	C	74.2	Confident	80.2	Confident	69 Å²	69	101.5 Å²	101.5	47%	0.466	52%	0.516	S	S	.	.	H	α-helix	trans	-57.3	-47.9	174.7	-63.5	0	0	0	0	111.5	L312 K318 E319 V320	L312-C316 PolarHBondContact O-N 2.92Å; L312-C316 PolarHBondContact O-SG 2.99Å; C316-K318 VanDerWaalsContact C-N 3.3Å; C316-K318 PolarHBondContact O-N 3.1Å; C316-E319 PolarHBondContact O-N 3.05Å; C316-V320 WeakPolarHBondContact O-CB 3.5Å; C316-V320 WeakPolarHBondContact O-CG2 3.29Å; C316-V320 PolarHBondContact O-N 2.91Å
317	M	87.1	Confident	79.6	Confident	120 Å²	120	100 Å²	100	59%	0.591	52%	0.517	S	S	*	.	H	α-helix	trans	-58.2	-41	173.2	-179.3	-174.5	-74.3	0	0	111.9	A313 Q315 R321	A313-M317 VanDerWaalsContact O-CB 3.25Å; A313-M317 WeakPolarHBondContact O-CB 2.92Å; A313-M317 PolarHBondContact O-N 3.29Å; Q315-M317 PolarHBondContact O-N 2.79Å; M317-R321 WeakPolarHBondContact O-CB 3.38Å; M317-R321 PolarHBondContact O-N 3.06Å
318	K	81.8	Confident	79	Confident	124 Å²	124	103.3 Å²	103.3	54%	0.539	53%	0.528	S	S	.	.	H	α-helix	trans	-71.2	-36.3	179	-174.5	172.7	-176.8	175.5	0	112.7	H314 Q315 C316 R322	H314-K318 WeakPolarHBondContact O-CB 2.94Å; H314-K318 PolarHBondContact O-N 3.06Å; Q315-K318 CarbonylContact O-C 3.5Å; Q315-K318 WeakPolarHBondContact O-CA 3.44Å; Q315-K318 PolarHBondContact O-N 3.43Å; C316-K318 VanDerWaalsContact C-N 3.3Å; C316-K318 PolarHBondContact O-N 3.1Å; K318-R322 WeakPolarHBondContact O-CA 3.48Å; K318-R322 WeakPolarHBondContact O-CB 3.34Å; K318-R322 PolarHBondContact O-N 2.92Å
319	E	82.5	Confident	78.1	Confident	94 Å²	94	105 Å²	105	44%	0.439	53%	0.531	S	S	.	.	H	α-helix	trans	-73.8	-42.7	176.4	-63	-45.9	146.3	0	0	111.7	Q315 C316 R321 R322 A323	Q315-E319 WeakPolarHBondContact O-CG 3.45Å; Q315-E319 PolarHBondContact O-N 3.05Å; C316-E319 PolarHBondContact O-N 3.05Å; E319-R321 PolarHBondContact O-N 2.73Å; E319-R322 PolarHBondContact O-N 3.44Å; E319-R322 IonicContact OE1-CZ 2.69Å; E319-R322 IonicContact OE1-NH1 3.33Å; E319-R322 PolarHBondContact OE1-NH1 3.19Å; E319-R322 IonicContact OE2-CZ 3.71Å; E319-R322 IonicContact OE2-NH1 2.71Å; E319-R322 PolarHBondContact OE2-NH1 2.85Å; E319-A323 WeakPolarHBondContact O-CB 3.46Å; E319-A323 PolarHBondContact O-N 3.16Å
320	V	78.3	Confident	77.9	Confident	107 Å²	107	106.5 Å²	106.5	65%	0.648	54%	0.536	S	S	*	.	H	α-helix	trans	-60.3	-46.5	172.5	172.6	0	0	0	0	110.5	C316 R322 A323 A324	C316-V320 WeakPolarHBondContact O-CB 3.5Å; C316-V320 WeakPolarHBondContact O-CG2 3.29Å; C316-V320 PolarHBondContact O-N 2.91Å; V320-R322 PolarHBondContact O-N 2.87Å; V320-A323 PolarHBondContact O-N 3.06Å; V320-A324 WeakPolarHBondContact O-CB 3.33Å; V320-A324 PolarHBondContact O-N 2.87Å
321	R	79.9	Confident	77	Confident	174 Å²	174	101.9 Å²	101.9	66%	0.657	53%	0.534	S	S	*	.	H	α-helix	trans	-67.9	-33.1	177	-168.3	172.9	-175	168.5	3.2	112.5	M317 E319 L325	M317-R321 WeakPolarHBondContact O-CB 3.38Å; M317-R321 PolarHBondContact O-N 3.06Å; E319-R321 PolarHBondContact O-N 2.73Å; R321-L325 HydrophobicContact CG-CD1 4Å; R321-L325 HydrophobicContact CG-CG 4.43Å; R321-L325 WeakPolarHBondContact O-CB 3.3Å; R321-L325 WeakPolarHBondContact O-CD1 3.28Å; R321-L325 WeakPolarHBondContact O-CG 3.34Å; R321-L325 PolarHBondContact O-N 2.93Å
322	R	79.4	Confident	76	Confident	111 Å²	111	104.4 Å²	104.4	42%	0.419	55%	0.545	S	S	.	.	H	α-helix	trans	-67.7	-46	173	179.5	-173.1	-79.1	142.5	-10.3	110.5	K318 E319 V320 L325 Q326	K318-R322 WeakPolarHBondContact O-CA 3.48Å; K318-R322 WeakPolarHBondContact O-CB 3.34Å; K318-R322 PolarHBondContact O-N 2.92Å; E319-R322 PolarHBondContact O-N 3.44Å; E319-R322 IonicContact OE1-CZ 2.69Å; E319-R322 IonicContact OE1-NH1 3.33Å; E319-R322 PolarHBondContact OE1-NH1 3.19Å; E319-R322 IonicContact OE2-CZ 3.71Å; E319-R322 IonicContact OE2-NH1 2.71Å; E319-R322 PolarHBondContact OE2-NH1 2.85Å; V320-R322 PolarHBondContact O-N 2.87Å; R322-L325 PolarHBondContact O-N 2.92Å; R322-Q326 WeakPolarHBondContact O-CA 3.38Å; R322-Q326 WeakPolarHBondContact O-CB 3.47Å; R322-Q326 PolarHBondContact O-N 2.98Å
323	A	74.9	Confident	75	Confident	63 Å²	63	102.6 Å²	102.6	52%	0.521	53%	0.534	S	S	.	.	H	α-helix	trans	-60.9	-48.8	178	0	0	0	0	0	111.3	E319 V320 Q326 A327	E319-A323 WeakPolarHBondContact O-CB 3.46Å; E319-A323 PolarHBondContact O-N 3.16Å; V320-A323 PolarHBondContact O-N 3.06Å; A323-Q326 PolarHBondContact O-N 3.48Å; A323-A327 WeakPolarHBondContact O-CB 3.32Å; A323-A327 PolarHBondContact O-N 3.08Å
324	A	75.5	Confident	74.5	Confident	62 Å²	62	104.1 Å²	104.1	51%	0.512	54%	0.537	S	S	.	.	H	α-helix	trans	-60.8	-48.1	176.4	0	0	0	0	0	112.3	V320 Q326 Q328	V320-A324 WeakPolarHBondContact O-CB 3.33Å; V320-A324 PolarHBondContact O-N 2.87Å; A324-Q326 VanDerWaalsContact C-N 3.32Å; A324-Q326 PolarHBondContact O-N 3.45Å; A324-Q328 WeakPolarHBondContact O-CB 3.29Å; A324-Q328 PolarHBondContact O-N 2.88Å; A324-Q328 VanDerWaalsContact O-N 3.13Å
325	L	76.8	Confident	73.5	Confident	90 Å²	90	103.6 Å²	103.6	47%	0.471	54%	0.538	S	S	.	.	H	α-helix	trans	-64.2	-35.8	175.3	-74.8	171.6	0	0	0	112.1	R321 R322 K329	R321-L325 HydrophobicContact CG-CD1 4Å; R321-L325 HydrophobicContact CG-CG 4.43Å; R321-L325 WeakPolarHBondContact O-CB 3.3Å; R321-L325 WeakPolarHBondContact O-CD1 3.28Å; R321-L325 WeakPolarHBondContact O-CG 3.34Å; R321-L325 PolarHBondContact O-N 2.93Å; R322-L325 PolarHBondContact O-N 2.92Å; L325-K329 WeakPolarHBondContact O-CA 3.36Å; L325-K329 WeakPolarHBondContact O-CB 3.4Å; L325-K329 PolarHBondContact O-N 3.27Å
326	Q	75.9	Confident	72.6	Confident	102 Å²	102	101.1 Å²	101.1	48%	0.477	53%	0.532	S	S	.	.	H	α-helix	trans	-78.3	-31.1	-176.8	-170.2	154.9	-16.8	0	0	112.3	R322 A323 A324 N330	R322-Q326 WeakPolarHBondContact O-CA 3.38Å; R322-Q326 WeakPolarHBondContact O-CB 3.47Å; R322-Q326 PolarHBondContact O-N 2.98Å; A323-Q326 PolarHBondContact O-N 3.48Å; A324-Q326 VanDerWaalsContact C-N 3.32Å; A324-Q326 PolarHBondContact O-N 3.45Å; Q326-N330 WeakPolarHBondContact O-CB 3.47Å; Q326-N330 PolarHBondContact O-N 2.85Å; Q326-N330 PolarHBondContact O-ND2 3.28Å; Q326-N330 PolarHBondContact O-OD1 2.76Å
327	A	69.1	Low	72.4	Confident	59 Å²	59	104.9 Å²	104.9	49%	0.488	54%	0.536	S	S	.	.	H	α-helix	trans	-60.4	-55.8	165.2	0	0	0	0	0	110.5	A323 K329 N330 C331	A323-A327 WeakPolarHBondContact O-CB 3.32Å; A323-A327 PolarHBondContact O-N 3.08Å; A327-K329 VanDerWaalsContact C-N 3.26Å; A327-K329 PolarHBondContact O-N 2.81Å; A327-N330 PolarHBondContact O-N 2.96Å; A327-C331 PolarHBondContact O-N 2.91Å; A327-C331 PolarHBondContact O-SG 3.31Å; A327-C331 VanDerWaalsContact O-SG 3.39Å
328	Q	71.3	Confident	71.5	Confident	134 Å²	134	101.7 Å²	101.7	63%	0.626	53%	0.529	S	S	*	.	H	α-helix	trans	-61.6	-33.5	-179.8	-166.3	179.5	50.1	0	0	113.1	A324 K332	A324-Q328 WeakPolarHBondContact O-CB 3.29Å; A324-Q328 PolarHBondContact O-N 2.88Å; A324-Q328 VanDerWaalsContact O-N 3.13Å; Q328-K332 PolarHBondContact O-N 2.69Å
329	K	65.3	Low	71.2	Confident	110 Å²	110	104.5 Å²	104.5	48%	0.478	54%	0.536	S	S	.	.	H	α-helix	trans	-79.7	-37.6	179.2	-172.9	172.9	-179	177.9	0	112.2	L325 A327 C331 K332 E333	L325-K329 WeakPolarHBondContact O-CA 3.36Å; L325-K329 WeakPolarHBondContact O-CB 3.4Å; L325-K329 PolarHBondContact O-N 3.27Å; A327-K329 VanDerWaalsContact C-N 3.26Å; A327-K329 PolarHBondContact O-N 2.81Å; K329-C331 VanDerWaalsContact C-N 3.31Å; K329-C331 PolarHBondContact O-N 2.94Å; K329-K332 PolarHBondContact O-N 2.9Å; K329-K332 VanDerWaalsContact O-N 3.16Å; K329-E333 WeakPolarHBondContact CE-OE1 3.47Å; K329-E333 WeakPolarHBondContact CE-OE2 3.36Å; K329-E333 HydrophobicContact CG-CB 4.42Å; K329-E333 HydrophobicContact CG-CG 3.85Å; K329-E333 IonicContact NZ-OE1 2.64Å; K329-E333 IonicContact NZ-OE2 3.96Å; K329-E333 VanDerWaalsContact O-CB 3.29Å; K329-E333 WeakPolarHBondContact O-CB 3.35Å; K329-E333 PolarHBondContact O-N 3.04Å
330	N	68.4	Low	70.7	Confident	81 Å²	81	107 Å²	107	43%	0.433	54%	0.542	S	S	.	.	H	α-helix	trans	-57.9	-45.5	172.1	-76.9	-5.2	0	0	0	110.4	Q326 A327 K332 T334	Q326-N330 WeakPolarHBondContact O-CB 3.47Å; Q326-N330 PolarHBondContact O-N 2.85Å; Q326-N330 PolarHBondContact O-ND2 3.28Å; Q326-N330 PolarHBondContact O-OD1 2.76Å; A327-N330 PolarHBondContact O-N 2.96Å; N330-K332 VanDerWaalsContact C-N 3.26Å; N330-K332 PolarHBondContact O-N 3.25Å; N330-T334 WeakPolarHBondContact O-CG2 3.45Å; N330-T334 PolarHBondContact O-N 2.94Å; N330-T334 PolarHBondContact O-OG1 2.92Å
331	C	63	Low	70.5	Confident	108 Å²	108	106.5 Å²	106.5	73%	0.73	54%	0.535	S	S	*	.	H	α-helix	trans	-63.9	-23.5	177.8	-61.6	0	0	0	0	114.6	A327 K329	A327-C331 PolarHBondContact O-N 2.91Å; A327-C331 PolarHBondContact O-SG 3.31Å; A327-C331 VanDerWaalsContact O-SG 3.39Å; K329-C331 VanDerWaalsContact C-N 3.31Å; K329-C331 PolarHBondContact O-N 2.94Å
332	K	66.3	Low	70.1	Confident	173 Å²	173	102.7 Å²	102.7	75%	0.752	53%	0.531	S	S	*	.	H	α-helix	trans	-103.2	-24.5	178.3	-84.2	-169.8	171.9	-176.7	0	114.9	Q328 K329 N330 P336	Q328-K332 PolarHBondContact O-N 2.69Å; K329-K332 PolarHBondContact O-N 2.9Å; K329-K332 VanDerWaalsContact O-N 3.16Å; N330-K332 VanDerWaalsContact C-N 3.26Å; N330-K332 PolarHBondContact O-N 3.25Å; K332-P336 WeakPolarHBondContact O-CD 3.42Å
333	E	59.3	Low	70.1	Confident	68 Å²	68	104.6 Å²	104.6	32%	0.318	54%	0.542	S	S	.	.	H	α-helix	trans	-99.7	-12.3	-176	-73.6	-162.9	168.8	0	0	114.4	K329 L335 P336 R337	K329-E333 WeakPolarHBondContact CE-OE1 3.47Å; K329-E333 WeakPolarHBondContact CE-OE2 3.36Å; K329-E333 HydrophobicContact CG-CB 4.42Å; K329-E333 HydrophobicContact CG-CG 3.85Å; K329-E333 IonicContact NZ-OE1 2.64Å; K329-E333 IonicContact NZ-OE2 3.96Å; K329-E333 VanDerWaalsContact O-CB 3.29Å; K329-E333 WeakPolarHBondContact O-CB 3.35Å; K329-E333 PolarHBondContact O-N 3.04Å; E333-L335 PolarHBondContact O-N 3.39Å; E333-P336 WeakPolarHBondContact O-CD 3.46Å; E333-R337 WeakPolarHBondContact O-CA 3.48Å; E333-R337 WeakPolarHBondContact O-CB 3.45Å; E333-R337 PolarHBondContact O-N 3.32Å
334	T	68.9	Low	69.9	Low	92 Å²	92	106.4 Å²	106.4	56%	0.564	54%	0.54	S	S	*	.	H	α-helix	trans	-52	-52	176.7	38.4	0	0	0	0	113	N330 R337 A338	N330-T334 WeakPolarHBondContact O-CG2 3.45Å; N330-T334 PolarHBondContact O-N 2.94Å; N330-T334 PolarHBondContact O-OG1 2.92Å; T334-R337 PolarHBondContact O-N 3.05Å; T334-A338 WeakPolarHBondContact O-CB 3.5Å; T334-A338 PolarHBondContact O-N 3.43Å
335	L	65.8	Low	69.8	Low	117 Å²	117	109.2 Å²	109.2	61%	0.613	54%	0.544	S	S	*	.	H	α-helix	trans	-67.3	-48.1	-179.4	-139.5	76.4	0	0	0	113.1	E333 R337 R339	E333-L335 PolarHBondContact O-N 3.39Å; L335-R337 VanDerWaalsContact C-N 3.34Å; L335-R337 PolarHBondContact O-N 3.41Å; L335-R339 WeakPolarHBondContact O-CG 3.25Å; L335-R339 PolarHBondContact O-N 2.79Å
336	P	62.2	Low	69.6	Low	65 Å²	65	110 Å²	110	42%	0.422	55%	0.548	S	S	.	.	H	α-helix	trans	-64.4	-32	173.5	-24.3	35.3	0	0	0	114.4	K332 E333 R340	K332-P336 WeakPolarHBondContact O-CD 3.42Å; E333-P336 WeakPolarHBondContact O-CD 3.46Å; P336-R340 WeakPolarHBondContact O-CB 3.47Å; P336-R340 WeakPolarHBondContact O-CG 3.08Å; P336-R340 PolarHBondContact O-N 2.94Å
337	R	69.2	Low	69.4	Low	148 Å²	148	110 Å²	110	56%	0.558	55%	0.55	S	S	*	*	H	α-helix	trans	-79.1	-33.5	-179.6	-172.8	176.4	178.5	-170	-2.6	111.9	E333 T334 L335 R340 L341	E333-R337 WeakPolarHBondContact O-CA 3.48Å; E333-R337 WeakPolarHBondContact O-CB 3.45Å; E333-R337 PolarHBondContact O-N 3.32Å; T334-R337 PolarHBondContact O-N 3.05Å; L335-R337 VanDerWaalsContact C-N 3.34Å; L335-R337 PolarHBondContact O-N 3.41Å; R337-R340 PolarHBondContact O-N 2.94Å; R337-L341 HydrophobicContact CG-CD1 4.26Å; R337-L341 VanDerWaalsContact O-CB 3.3Å; R337-L341 WeakPolarHBondContact O-CB 3.36Å; R337-L341 WeakPolarHBondContact O-CG 3.38Å; R337-L341 PolarHBondContact O-N 2.88Å
338	A	69	Low	69.7	Low	54 Å²	54	114 Å²	114	45%	0.446	55%	0.554	S	S	.	*	H	α-helix	trans	-59.5	-52	167	0	0	0	0	0	110	T334 R340 L341 T342	T334-A338 WeakPolarHBondContact O-CB 3.5Å; T334-A338 PolarHBondContact O-N 3.43Å; A338-R340 VanDerWaalsContact C-N 3.33Å; A338-R340 PolarHBondContact O-N 3.06Å; A338-L341 PolarHBondContact O-N 2.88Å; A338-L341 VanDerWaalsContact O-N 3.09Å; A338-T342 PolarHBondContact O-N 2.88Å; A338-T342 PolarHBondContact O-OG1 2.87Å
339	R	74.8	Confident	69.8	Low	183 Å²	183	114.6 Å²	114.6	69%	0.691	55%	0.551	S	S	*	*	H	α-helix	trans	-62	-34.9	176.7	-68.3	178.6	179.6	-176.5	-0.2	113.4	L335 K343	L335-R339 WeakPolarHBondContact O-CG 3.25Å; L335-R339 PolarHBondContact O-N 2.79Å; R339-K343 WeakPolarHBondContact O-CB 3.28Å; R339-K343 PolarHBondContact O-N 3.09Å
340	R	72.3	Confident	70.2	Confident	147 Å²	147	115.4 Å²	115.4	56%	0.555	55%	0.554	S	S	*	*	H	α-helix	trans	-67.5	-45.9	169.8	-84	-167.1	-170.4	140.9	5.8	111.6	P336 R337 A338 T342 K343 E344	P336-R340 WeakPolarHBondContact O-CB 3.47Å; P336-R340 WeakPolarHBondContact O-CG 3.08Å; P336-R340 PolarHBondContact O-N 2.94Å; R337-R340 PolarHBondContact O-N 2.94Å; A338-R340 VanDerWaalsContact C-N 3.33Å; A338-R340 PolarHBondContact O-N 3.06Å; R340-T342 VanDerWaalsContact C-N 3.31Å; R340-T342 PolarHBondContact O-N 2.84Å; R340-K343 CarbonylContact O-C 3.55Å; R340-K343 WeakPolarHBondContact O-CA 3.42Å; R340-K343 PolarHBondContact O-N 3.36Å; R340-E344 VanDerWaalsContact O-CB 3.23Å; R340-E344 WeakPolarHBondContact O-CB 3.35Å; R340-E344 VanDerWaalsContact O-CG 3.32Å; R340-E344 WeakPolarHBondContact O-CG 3.43Å; R340-E344 PolarHBondContact O-N 3.27Å
341	L	72.7	Confident	70.3	Confident	96 Å²	96	118.6 Å²	118.6	50%	0.503	56%	0.564	S	S	.	*	H	α-helix	trans	-59	-40.9	177.5	-82.3	165.7	0	0	0	111.6	R337 A338 K343 E344 M345	R337-L341 HydrophobicContact CG-CD1 4.26Å; R337-L341 VanDerWaalsContact O-CB 3.3Å; R337-L341 WeakPolarHBondContact O-CB 3.36Å; R337-L341 WeakPolarHBondContact O-CG 3.38Å; R337-L341 PolarHBondContact O-N 2.88Å; A338-L341 PolarHBondContact O-N 2.88Å; A338-L341 VanDerWaalsContact O-N 3.09Å; L341-K343 VanDerWaalsContact C-N 3.3Å; L341-K343 PolarHBondContact O-N 2.97Å; L341-E344 PolarHBondContact O-N 2.91Å; L341-M345 WeakPolarHBondContact O-CB 3.41Å; L341-M345 PolarHBondContact O-N 3.28Å
342	T	73.2	Confident	70.7	Confident	93 Å²	93	119.4 Å²	119.4	57%	0.571	55%	0.553	S	S	*	*	H	α-helix	trans	-59.8	-42.1	172.6	-25.9	0	0	0	0	111.6	A338 R340 L346	A338-T342 PolarHBondContact O-N 2.88Å; A338-T342 PolarHBondContact O-OG1 2.87Å; R340-T342 VanDerWaalsContact C-N 3.31Å; R340-T342 PolarHBondContact O-N 2.84Å; T342-L346 WeakPolarHBondContact O-CB 3.26Å; T342-L346 PolarHBondContact O-N 3.02Å
343	K	77.5	Confident	70.7	Confident	151 Å²	151	116.5 Å²	116.5	66%	0.657	54%	0.542	S	S	*	.	H	α-helix	trans	-78.5	-30.8	-177.9	-158.5	167.5	-170.7	171.7	0	113.5	R339 R340 L341 L347	R339-K343 WeakPolarHBondContact O-CB 3.28Å; R339-K343 PolarHBondContact O-N 3.09Å; R340-K343 CarbonylContact O-C 3.55Å; R340-K343 WeakPolarHBondContact O-CA 3.42Å; R340-K343 PolarHBondContact O-N 3.36Å; L341-K343 VanDerWaalsContact C-N 3.3Å; L341-K343 PolarHBondContact O-N 2.97Å; K343-L347 WeakPolarHBondContact O-CB 3.08Å; K343-L347 WeakPolarHBondContact O-CD1 3.45Å; K343-L347 WeakPolarHBondContact O-CG 3.33Å; K343-L347 PolarHBondContact O-N 3.25Å
344	E	72.3	Confident	71.2	Confident	102 Å²	102	119.1 Å²	119.1	48%	0.477	55%	0.552	S	S	.	*	H	α-helix	trans	-78.6	-31.4	175.4	-75.1	168.6	-171.9	0	0	110.6	R340 L341 L347 Y348	R340-E344 VanDerWaalsContact O-CB 3.23Å; R340-E344 WeakPolarHBondContact O-CB 3.35Å; R340-E344 VanDerWaalsContact O-CG 3.32Å; R340-E344 WeakPolarHBondContact O-CG 3.43Å; R340-E344 PolarHBondContact O-N 3.27Å; L341-E344 PolarHBondContact O-N 2.91Å; E344-L347 CarbonylContact O-C 3.56Å; E344-Y348 WeakPolarHBondContact O-CA 3.37Å; E344-Y348 WeakPolarHBondContact O-CB 3.42Å; E344-Y348 PolarHBondContact O-N 3.02Å
345	M	73.6	Confident	71.2	Confident	120 Å²	120	117.7 Å²	117.7	59%	0.591	54%	0.543	S	S	*	.	H	α-helix	trans	-70.4	-43.1	169	179.9	174.7	161	0	0	110.9	L341 Y348 W349	L341-M345 WeakPolarHBondContact O-CB 3.41Å; L341-M345 PolarHBondContact O-N 3.28Å; M345-Y348 WeakPolarHBondContact O-CB 3.49Å; M345-Y348 PolarHBondContact O-N 3.24Å; M345-Y348 VanDerWaalsContact O-N 3.14Å; M345-W349 PolarHBondContact O-N 3.36Å
346	L	71.7	Confident	71.3	Confident	107 Å²	107	116.1 Å²	116.1	56%	0.56	53%	0.533	S	S	*	.	H	α-helix	trans	-68	-36	173.8	-161	155.4	0	0	0	111.7	T342 K350	T342-L346 WeakPolarHBondContact O-CB 3.26Å; T342-L346 PolarHBondContact O-N 3.02Å; L346-K350 PolarHBondContact O-N 3.31Å
347	L	72.1	Confident	71.6	Confident	101 Å²	101	120 Å²	120	53%	0.529	54%	0.543	S	S	.	.	H	α-helix	trans	-71.9	-25.7	168.5	-76.6	167.8	0	0	0	113.2	K343 E344 K351	K343-L347 WeakPolarHBondContact O-CB 3.08Å; K343-L347 WeakPolarHBondContact O-CD1 3.45Å; K343-L347 WeakPolarHBondContact O-CG 3.33Å; K343-L347 PolarHBondContact O-N 3.25Å; E344-L347 CarbonylContact O-C 3.56Å; L347-K351 VanDerWaalsContact O-CB 3.27Å; L347-K351 WeakPolarHBondContact O-CB 3.41Å; L347-K351 PolarHBondContact O-N 2.95Å
348	Y	74.5	Confident	71.2	Confident	144 Å²	144	116.2 Å²	116.2	57%	0.565	53%	0.532	S	S	*	.	H	α-helix	trans	-71.9	-45.6	173.3	177.4	-88.2	0	0	0	109.7	E344 M345 K350 K351 Y352	E344-Y348 WeakPolarHBondContact O-CA 3.37Å; E344-Y348 WeakPolarHBondContact O-CB 3.42Å; E344-Y348 PolarHBondContact O-N 3.02Å; M345-Y348 WeakPolarHBondContact O-CB 3.49Å; M345-Y348 PolarHBondContact O-N 3.24Å; M345-Y348 VanDerWaalsContact O-N 3.14Å; Y348-K350 PolarHBondContact O-N 3.06Å; Y348-K351 CarbonylContact O-C 3.57Å; Y348-K351 WeakPolarHBondContact O-CA 3.43Å; Y348-K351 WeakPolarHBondContact O-CB 3.4Å; Y348-K351 PolarHBondContact O-N 2.96Å; Y348-K351 VanDerWaalsContact O-N 3.07Å; Y348-Y352 HydrophobicContact CE1-CD2 4.33Å; Y348-Y352 VanDerWaalsContact O-CB 3.29Å; Y348-Y352 WeakPolarHBondContact O-CB 3.48Å; Y348-Y352 PolarHBondContact O-N 3.36Å
349	W	73	Confident	70.9	Confident	147 Å²	147	118.9 Å²	118.9	56%	0.557	54%	0.535	S	S	*	.	H	α-helix	trans	-57.9	-47.7	170.4	-78.7	107.1	0	0	0	111.2	M345 K351 Y352 E353	M345-W349 PolarHBondContact O-N 3.36Å; W349-K351 VanDerWaalsContact C-N 3.28Å; W349-K351 PolarHBondContact O-N 2.97Å; W349-Y352 WeakPolarHBondContact O-CB 3.43Å; W349-Y352 PolarHBondContact O-N 3.44Å; W349-E353 WeakPolarHBondContact O-CG 3.29Å; W349-E353 PolarHBondContact O-N 2.95Å
350	K	74.1	Confident	70.5	Confident	127 Å²	127	117 Å²	117	55%	0.552	53%	0.528	S	S	*	.	H	α-helix	trans	-64.1	-28	172.9	-74.4	-163	168	-167.3	0	114.5	L346 Y348 E353 K354	L346-K350 PolarHBondContact O-N 3.31Å; Y348-K350 PolarHBondContact O-N 3.06Å; K350-E353 WeakPolarHBondContact CA-OE2 3.41Å; K350-K354 WeakPolarHBondContact O-CB 3.44Å; K350-K354 PolarHBondContact O-N 2.84Å; K350-K354 VanDerWaalsContact O-N 3.11Å
351	K	70.3	Confident	69.8	Low	148 Å²	148	116.5 Å²	116.5	64%	0.643	53%	0.529	S	S	*	.	H	α-helix	trans	-75.3	-33.3	170.2	-106	-166.4	167.9	-163	0	111.8	L347 Y348 W349 K354 V355	L347-K351 VanDerWaalsContact O-CB 3.27Å; L347-K351 WeakPolarHBondContact O-CB 3.41Å; L347-K351 PolarHBondContact O-N 2.95Å; Y348-K351 CarbonylContact O-C 3.57Å; Y348-K351 WeakPolarHBondContact O-CA 3.43Å; Y348-K351 WeakPolarHBondContact O-CB 3.4Å; Y348-K351 PolarHBondContact O-N 2.96Å; Y348-K351 VanDerWaalsContact O-N 3.07Å; W349-K351 VanDerWaalsContact C-N 3.28Å; W349-K351 PolarHBondContact O-N 2.97Å; K351-K354 CarbonylContact O-C 3.56Å; K351-K354 PolarHBondContact O-N 3.23Å; K351-V355 WeakPolarHBondContact O-CA 3.37Å; K351-V355 WeakPolarHBondContact O-CB 3.48Å; K351-V355 WeakPolarHBondContact O-CG2 3.29Å; K351-V355 PolarHBondContact O-N 2.73Å
352	Y	71.1	Confident	69.3	Low	124 Å²	124	116.4 Å²	116.4	49%	0.486	52%	0.523	S	S	.	.	H	α-helix	trans	-71.7	-48.1	179.4	-170.7	-88.7	0	0	0	109.3	Y348 W349 K354 V355 E356	Y348-Y352 HydrophobicContact CE1-CD2 4.33Å; Y348-Y352 VanDerWaalsContact O-CB 3.29Å; Y348-Y352 WeakPolarHBondContact O-CB 3.48Å; Y348-Y352 PolarHBondContact O-N 3.36Å; W349-Y352 WeakPolarHBondContact O-CB 3.43Å; W349-Y352 PolarHBondContact O-N 3.44Å; Y352-K354 VanDerWaalsContact C-N 3.28Å; Y352-K354 PolarHBondContact O-N 3.48Å; Y352-V355 PolarHBondContact O-N 2.78Å; Y352-V355 VanDerWaalsContact O-N 3.15Å; Y352-E356 VanDerWaalsContact O-CB 3.27Å; Y352-E356 WeakPolarHBondContact O-CB 3.26Å; Y352-E356 PolarHBondContact O-N 3.44Å
353	E	68.3	Low	68.7	Low	112 Å²	112	114.8 Å²	114.8	52%	0.523	52%	0.519	S	S	.	.	H	α-helix	trans	-51.6	-46.5	166.2	-68.8	176.4	136.9	0	0	111.4	W349 K350 K357	W349-E353 WeakPolarHBondContact O-CG 3.29Å; W349-E353 PolarHBondContact O-N 2.95Å; K350-E353 WeakPolarHBondContact CA-OE2 3.41Å; E353-K357 WeakPolarHBondContact O-CB 3.31Å; E353-K357 PolarHBondContact O-N 2.87Å
354	K	69.4	Low	67.6	Low	124 Å²	124	113 Å²	113	54%	0.539	51%	0.512	S	S	.	.	H	α-helix	trans	-70.5	-33.1	179.7	-169.1	173.1	-170.3	-70.5	0	113	K350 K351 Y352 E358	K350-K354 WeakPolarHBondContact O-CB 3.44Å; K350-K354 PolarHBondContact O-N 2.84Å; K350-K354 VanDerWaalsContact O-N 3.11Å; K351-K354 CarbonylContact O-C 3.56Å; K351-K354 PolarHBondContact O-N 3.23Å; Y352-K354 VanDerWaalsContact C-N 3.28Å; Y352-K354 PolarHBondContact O-N 3.48Å; K354-E358 IonicContact NZ-OE1 3.97Å; K354-E358 PolarHBondContact NZ-OE1 3.31Å; K354-E358 WeakPolarHBondContact O-CB 3.2Å; K354-E358 WeakPolarHBondContact O-CG 2.94Å; K354-E358 PolarHBondContact O-N 3.02Å
355	V	68.6	Low	66.9	Low	62 Å²	62	113.1 Å²	113.1	38%	0.376	51%	0.512	S	S	.	.	H	α-helix	trans	-78.9	-38.4	179.1	164.9	0	0	0	0	110.7	K351 Y352 E358 H359	K351-V355 WeakPolarHBondContact O-CA 3.37Å; K351-V355 WeakPolarHBondContact O-CB 3.48Å; K351-V355 WeakPolarHBondContact O-CG2 3.29Å; K351-V355 PolarHBondContact O-N 2.73Å; Y352-V355 PolarHBondContact O-N 2.78Å; Y352-V355 VanDerWaalsContact O-N 3.15Å; V355-E358 CarbonylContact O-C 3.51Å; V355-E358 PolarHBondContact O-N 3.49Å; V355-H359 WeakPolarHBondContact O-CB 3.39Å; V355-H359 PolarHBondContact O-CD2 2.65Å; V355-H359 VanDerWaalsContact O-CD2 3.28Å; V355-H359 PolarHBondContact O-N 2.7Å
356	E	68.3	Low	66.1	Low	84 Å²	84	113.1 Å²	113.1	39%	0.393	51%	0.51	S	S	.	.	H	α-helix	trans	-61.5	-47	168.8	-170.6	-152.2	143.2	0	0	110.2	Y352 E358 H359 R360	Y352-E356 VanDerWaalsContact O-CB 3.27Å; Y352-E356 WeakPolarHBondContact O-CB 3.26Å; Y352-E356 PolarHBondContact O-N 3.44Å; E356-E358 VanDerWaalsContact C-N 3.27Å; E356-E358 PolarHBondContact O-N 2.69Å; E356-H359 PolarHBondContact O-N 3.46Å; E356-R360 WeakPolarHBondContact O-CB 3.3Å; E356-R360 PolarHBondContact O-N 3.37Å; E356-R360 IonicContact OE1-CZ 3.26Å; E356-R360 IonicContact OE1-NH1 3.99Å; E356-R360 PolarHBondContact OE1-NH1 2.93Å; E356-R360 IonicContact OE1-NH2 2.84Å; E356-R360 PolarHBondContact OE1-NH2 3.14Å
357	K	67.6	Low	65.3	Low	146 Å²	146	111.2 Å²	111.2	64%	0.635	51%	0.51	S	S	*	.	H	α-helix	trans	-69	-23	175.8	-162.7	165.2	-168.4	164.4	0	113	E353 K361	E353-K357 WeakPolarHBondContact O-CB 3.31Å; E353-K357 PolarHBondContact O-N 2.87Å; K357-K361 WeakPolarHBondContact O-CB 3.49Å; K357-K361 VanDerWaalsContact O-CG 3.31Å; K357-K361 WeakPolarHBondContact O-CG 3.17Å; K357-K361 PolarHBondContact O-N 2.86Å
358	E	60.3	Low	64.4	Low	68 Å²	68	110.8 Å²	110.8	32%	0.318	51%	0.508	S	S	.	.	H	α-helix	trans	-81.7	-33.9	168.4	-84.3	174.1	-152.8	0	0	112.8	K354 V355 E356 K361 R362	K354-E358 IonicContact NZ-OE1 3.97Å; K354-E358 PolarHBondContact NZ-OE1 3.31Å; K354-E358 WeakPolarHBondContact O-CB 3.2Å; K354-E358 WeakPolarHBondContact O-CG 2.94Å; K354-E358 PolarHBondContact O-N 3.02Å; V355-E358 CarbonylContact O-C 3.51Å; V355-E358 PolarHBondContact O-N 3.49Å; E356-E358 VanDerWaalsContact C-N 3.27Å; E356-E358 PolarHBondContact O-N 2.69Å; E358-K361 CarbonylContact O-C 3.58Å; E358-K361 PolarHBondContact O-N 3.41Å; E358-R362 WeakPolarHBondContact O-CB 3.21Å; E358-R362 PolarHBondContact O-N 2.86Å; E358-R362 IonicContact OE2-NH2 3.43Å; E358-R362 PolarHBondContact OE2-NH2 3.32Å
359	H	62.8	Low	63.3	Low	110 Å²	110	107.6 Å²	107.6	51%	0.509	50%	0.498	S	S	.	.	H	α-helix	trans	-71.1	-43	175	-93.9	-90.1	0	0	0	111.1	V355 E356 K361 R362 A363	V355-H359 WeakPolarHBondContact O-CB 3.39Å; V355-H359 PolarHBondContact O-CD2 2.65Å; V355-H359 VanDerWaalsContact O-CD2 3.28Å; V355-H359 PolarHBondContact O-N 2.7Å; E356-H359 PolarHBondContact O-N 3.46Å; H359-K361 VanDerWaalsContact C-N 3.26Å; H359-K361 PolarHBondContact O-N 2.85Å; H359-R362 PolarHBondContact CD2-NH1 3.04Å; H359-R362 VanDerWaalsContact CD2-NH1 3.28Å; H359-R362 PolarHBondContact NE2-NH1 2.79Å; H359-R362 PolarHBondContact O-N 3.23Å; H359-A363 PolarHBondContact O-N 3.07Å
360	R	65.9	Low	62	Low	144 Å²	144	109.4 Å²	109.4	54%	0.543	51%	0.512	S	S	.	.	H	α-helix	trans	-55.8	-44.9	170.4	-165.2	168.1	-73.2	122.5	3.8	110.1	E356 R362 E364	E356-R360 WeakPolarHBondContact O-CB 3.3Å; E356-R360 PolarHBondContact O-N 3.37Å; E356-R360 IonicContact OE1-CZ 3.26Å; E356-R360 IonicContact OE1-NH1 3.99Å; E356-R360 PolarHBondContact OE1-NH1 2.93Å; E356-R360 IonicContact OE1-NH2 2.84Å; E356-R360 PolarHBondContact OE1-NH2 3.14Å; R360-R362 PolarHBondContact O-N 2.77Å; R360-E364 WeakPolarHBondContact O-CB 2.93Å; R360-E364 WeakPolarHBondContact O-CG 3.2Å; R360-E364 PolarHBondContact O-N 3.22Å
361	K	58.8	Low	60.8	Low	136 Å²	136	112.6 Å²	112.6	59%	0.591	52%	0.521	S	S	*	.	H	α-helix	trans	-70.3	-19.4	171.6	-79.8	-169.8	168.9	-142.6	0	116.2	K357 E358 H359 E364 K365	K357-K361 WeakPolarHBondContact O-CB 3.49Å; K357-K361 VanDerWaalsContact O-CG 3.31Å; K357-K361 WeakPolarHBondContact O-CG 3.17Å; K357-K361 PolarHBondContact O-N 2.86Å; E358-K361 CarbonylContact O-C 3.58Å; E358-K361 PolarHBondContact O-N 3.41Å; H359-K361 VanDerWaalsContact C-N 3.26Å; H359-K361 PolarHBondContact O-N 2.85Å; K361-E364 WeakPolarHBondContact CA-OE2 3.45Å; K361-E364 WeakPolarHBondContact CG-OE2 3.21Å; K361-K365 WeakPolarHBondContact O-CB 3.47Å; K361-K365 PolarHBondContact O-N 2.71Å; K361-K365 VanDerWaalsContact O-N 3.17Å
362	R	62.2	Low	60	Low	95 Å²	95	108.5 Å²	108.5	36%	0.358	50%	0.503	S	S	.	.	H	α-helix	trans	-84.3	-44.4	-179.4	-165.1	169.7	-64.9	113.8	3.4	109.5	E358 H359 R360 K365 E366	E358-R362 WeakPolarHBondContact O-CB 3.21Å; E358-R362 PolarHBondContact O-N 2.86Å; E358-R362 IonicContact OE2-NH2 3.43Å; E358-R362 PolarHBondContact OE2-NH2 3.32Å; H359-R362 PolarHBondContact CD2-NH1 3.04Å; H359-R362 VanDerWaalsContact CD2-NH1 3.28Å; H359-R362 PolarHBondContact NE2-NH1 2.79Å; H359-R362 PolarHBondContact O-N 3.23Å; R360-R362 PolarHBondContact O-N 2.77Å; R362-K365 CarbonylContact O-C 3.49Å; R362-K365 WeakPolarHBondContact O-CA 3.06Å; R362-K365 WeakPolarHBondContact O-CB 3.32Å; R362-K365 PolarHBondContact O-N 2.97Å; R362-E366 WeakPolarHBondContact O-CG 3.42Å; R362-E366 PolarHBondContact O-N 2.87Å
363	A	60.2	Low	59.1	Low	59 Å²	59	109.2 Å²	109.2	49%	0.488	51%	0.514	S	S	.	.	H	α-helix	trans	-59.6	-44.7	167.7	0	0	0	0	0	112.2	H359 K365 E366 A367	H359-A363 PolarHBondContact O-N 3.07Å; A363-K365 PolarHBondContact O-N 3Å; A363-E366 PolarHBondContact O-N 2.87Å; A363-A367 WeakPolarHBondContact O-CB 3.5Å; A363-A367 PolarHBondContact O-N 2.97Å; A363-A367 VanDerWaalsContact O-N 3.11Å
364	E	54.9	Low	57.9	Low	113 Å²	113	110 Å²	110	53%	0.528	52%	0.522	S	S	.	.	H	α-helix	trans	-58.3	-31.1	171.2	-75.8	168.1	170.5	0	0	112.7	R360 K361 L368	R360-E364 WeakPolarHBondContact O-CB 2.93Å; R360-E364 WeakPolarHBondContact O-CG 3.2Å; R360-E364 PolarHBondContact O-N 3.22Å; K361-E364 WeakPolarHBondContact CA-OE2 3.45Å; K361-E364 WeakPolarHBondContact CG-OE2 3.21Å; E364-L368 PolarHBondContact O-N 3.01Å
365	K	57.6	Low	56.9	Low	105 Å²	105	107.5 Å²	107.5	46%	0.457	51%	0.513	S	S	.	.	H	α-helix	trans	-86.4	-36.5	-177	-177.7	174.4	176.6	-69.7	0	113	K361 R362 A363 A367 L368 E369	K361-K365 WeakPolarHBondContact O-CB 3.47Å; K361-K365 PolarHBondContact O-N 2.71Å; K361-K365 VanDerWaalsContact O-N 3.17Å; R362-K365 CarbonylContact O-C 3.49Å; R362-K365 WeakPolarHBondContact O-CA 3.06Å; R362-K365 WeakPolarHBondContact O-CB 3.32Å; R362-K365 PolarHBondContact O-N 2.97Å; A363-K365 PolarHBondContact O-N 3Å; K365-A367 VanDerWaalsContact C-N 3.34Å; K365-L368 CarbonylContact O-C 3.37Å; K365-L368 PolarHBondContact O-N 2.89Å; K365-L368 VanDerWaalsContact O-N 3.13Å; K365-E369 WeakPolarHBondContact CE-OE1 3.23Å; K365-E369 HydrophobicContact CG-CG 4.44Å; K365-E369 IonicContact NZ-OE1 3.01Å; K365-E369 PolarHBondContact NZ-OE1 3.21Å; K365-E369 IonicContact NZ-OE2 3.44Å; K365-E369 PolarHBondContact NZ-OE2 3.2Å; K365-E369 WeakPolarHBondContact O-CB 3.13Å; K365-E369 WeakPolarHBondContact O-CG 3.42Å; K365-E369 PolarHBondContact O-N 3.26Å
366	E	56.9	Low	56	Low	120 Å²	120	109.9 Å²	109.9	56%	0.561	52%	0.52	S	S	*	.	H	α-helix	trans	-64.2	-41	172.2	-74.3	159.6	140.5	0	0	110.5	R362 A363 L368 E369	R362-E366 WeakPolarHBondContact O-CG 3.42Å; R362-E366 PolarHBondContact O-N 2.87Å; A363-E366 PolarHBondContact O-N 2.87Å; E366-L368 PolarHBondContact O-N 2.85Å; E366-E369 PolarHBondContact O-N 2.83Å
367	A	54.2	Low	55	Low	67 Å²	67	112.8 Å²	112.8	55%	0.554	54%	0.535	S	S	*	.	H	α-helix	trans	-65	-22.6	171.7	0	0	0	0	0	114.1	A363 K365	A363-A367 WeakPolarHBondContact O-CB 3.5Å; A363-A367 PolarHBondContact O-N 2.97Å; A363-A367 VanDerWaalsContact O-N 3.11Å; K365-A367 VanDerWaalsContact C-N 3.34Å
368	L	54.2	Low	54.2	Low	92 Å²	92	110.2 Å²	110.2	48%	0.482	52%	0.521	S	S	.	.	H	α-helix	trans	-88.2	-31	173.5	-99.4	162.3	0	0	0	112.8	E364 K365 E366 Q370 R371	E364-L368 PolarHBondContact O-N 3.01Å; K365-L368 CarbonylContact O-C 3.37Å; K365-L368 PolarHBondContact O-N 2.89Å; K365-L368 VanDerWaalsContact O-N 3.13Å; E366-L368 PolarHBondContact O-N 2.85Å; L368-Q370 VanDerWaalsContact C-N 3.27Å; L368-Q370 PolarHBondContact O-N 3.07Å; L368-R371 WeakPolarHBondContact O-CB 3.45Å; L368-R371 PolarHBondContact O-N 3.45Å
369	E	49.7	Very low	53.8	Low	77 Å²	77	110.9 Å²	110.9	36%	0.36	52%	0.524	S	S	.	.	H	α-helix	trans	-70.4	-21.5	-173.8	-83.3	176.4	155.8	0	0	113.5	K365 E366 R371 K372	K365-E369 WeakPolarHBondContact CE-OE1 3.23Å; K365-E369 HydrophobicContact CG-CG 4.44Å; K365-E369 IonicContact NZ-OE1 3.01Å; K365-E369 PolarHBondContact NZ-OE1 3.21Å; K365-E369 IonicContact NZ-OE2 3.44Å; K365-E369 PolarHBondContact NZ-OE2 3.2Å; K365-E369 WeakPolarHBondContact O-CB 3.13Å; K365-E369 WeakPolarHBondContact O-CG 3.42Å; K365-E369 PolarHBondContact O-N 3.26Å; E366-E369 PolarHBondContact O-N 2.83Å; E369-R371 VanDerWaalsContact C-N 3.3Å; E369-R371 PolarHBondContact O-N 3Å; E369-K372 HydrophobicContact CG-CD 3.64Å; E369-K372 WeakPolarHBondContact O-CB 3.01Å; E369-K372 PolarHBondContact O-N 3.28Å; E369-K372 IonicContact OE1-NZ 3.74Å; E369-K372 PolarHBondContact OE1-NZ 3.34Å
370	Q	47.3	Very low	53.3	Low	185 Å²	185	107 Å²	107	86%	0.864	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-18	166.5	-70.5	-170.5	-9.5	0	0	114.8	L368	L368-Q370 VanDerWaalsContact C-N 3.27Å; L368-Q370 PolarHBondContact O-N 3.07Å
371	R	47.7	Very low	52.7	Low	193 Å²	193	107.1 Å²	107.1	73%	0.728	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-7.3	177.8	-65	-176.1	174	-172.4	-2.5	113.6	L368 E369	L368-R371 WeakPolarHBondContact O-CB 3.45Å; L368-R371 PolarHBondContact O-N 3.45Å; E369-R371 VanDerWaalsContact C-N 3.3Å; E369-R371 PolarHBondContact O-N 3Å
372	K	54.3	Low	52.4	Low	62 Å²	62	105.8 Å²	105.8	27%	0.27	51%	0.507	S	S	.	.			trans	-88.3	-17.5	-153.5	-159.4	176.3	178.2	-158.4	0	115	E369 D374 E375 E376	E369-K372 HydrophobicContact CG-CD 3.64Å; E369-K372 WeakPolarHBondContact O-CB 3.01Å; E369-K372 PolarHBondContact O-N 3.28Å; E369-K372 IonicContact OE1-NZ 3.74Å; E369-K372 PolarHBondContact OE1-NZ 3.34Å; K372-D374 VanDerWaalsContact C-N 3.35Å; K372-D374 PolarHBondContact O-N 2.79Å; K372-E375 CarbonylContact O-C 3.26Å; K372-E375 WeakPolarHBondContact O-CA 3.5Å; K372-E375 WeakPolarHBondContact O-CB 3.33Å; K372-E375 PolarHBondContact O-N 3.08Å; K372-E376 PolarHBondContact O-N 2.95Å
373	L	52	Low	51.7	Low	139 Å²	139	104.9 Å²	104.9	73%	0.728	51%	0.507	S	S	*	.	H	α-helix	trans	-65	-36.9	-173.3	-136.9	160.9	0	0	0	112.3	E375	L373-E375 VanDerWaalsContact C-N 3.35Å
374	D	44	Very low	51.5	Low	129 Å²	129	107.7 Å²	107.7	69%	0.69	51%	0.51	S	S	*	.	H	α-helix	trans	-83.7	-6.4	169.6	-86.8	-19.9	0	0	0	113.6	K372 R378	K372-D374 VanDerWaalsContact C-N 3.35Å; K372-D374 PolarHBondContact O-N 2.79Å; D374-R378 PolarHBondContact O-NH1 2.98Å; D374-R378 PolarHBondContact O-NH2 3.32Å
375	E	46.6	Very low	51.7	Low	72 Å²	72	106.4 Å²	106.4	34%	0.336	50%	0.501	S	S	.	.	H	α-helix	trans	-86.7	-32.9	168	-73.6	-167.1	121.4	0	0	112.3	K372 L373 M377 R378 E379	K372-E375 CarbonylContact O-C 3.26Å; K372-E375 WeakPolarHBondContact O-CA 3.5Å; K372-E375 WeakPolarHBondContact O-CB 3.33Å; K372-E375 PolarHBondContact O-N 3.08Å; L373-E375 VanDerWaalsContact C-N 3.35Å; E375-M377 VanDerWaalsContact C-N 3.27Å; E375-M377 PolarHBondContact O-N 2.71Å; E375-R378 CarbonylContact O-C 3.54Å; E375-R378 WeakPolarHBondContact O-CA 3.45Å; E375-R378 WeakPolarHBondContact O-CB 3.36Å; E375-R378 PolarHBondContact O-N 2.98Å; E375-E379 PolarHBondContact O-N 3.39Å
376	E	50	Low	51.8	Low	112 Å²	112	106.6 Å²	106.6	52%	0.523	50%	0.501	S	S	.	.	H	α-helix	trans	-57.8	-37.3	179.9	-72.3	-172.5	140.2	0	0	112.6	K372 R378 A380	K372-E376 PolarHBondContact O-N 2.95Å; E376-R378 VanDerWaalsContact C-N 3.31Å; E376-R378 PolarHBondContact O-N 3.32Å; E376-A380 VanDerWaalsContact O-CB 3.27Å; E376-A380 WeakPolarHBondContact O-CB 3.17Å; E376-A380 PolarHBondContact O-N 2.76Å
377	M	48.1	Very low	51.8	Low	144 Å²	144	102.4 Å²	102.4	71%	0.709	48%	0.483	S	S	*	.	H	α-helix	trans	-71	-22.3	173.6	-75.4	-68.3	-75.9	0	0	113.9	E375	E375-M377 VanDerWaalsContact C-N 3.27Å; E375-M377 PolarHBondContact O-N 2.71Å
378	R	49.6	Very low	52.2	Low	92 Å²	92	101.9 Å²	101.9	35%	0.347	47%	0.47	S	S	.	.	H	α-helix	trans	-87	-41.4	176.5	-163.6	178.8	-64.7	92.7	11.8	110.7	D374 E375 E376 K381 R382	D374-R378 PolarHBondContact O-NH1 2.98Å; D374-R378 PolarHBondContact O-NH2 3.32Å; E375-R378 CarbonylContact O-C 3.54Å; E375-R378 WeakPolarHBondContact O-CA 3.45Å; E375-R378 WeakPolarHBondContact O-CB 3.36Å; E375-R378 PolarHBondContact O-N 2.98Å; E376-R378 VanDerWaalsContact C-N 3.31Å; E376-R378 PolarHBondContact O-N 3.32Å; R378-K381 PolarHBondContact O-N 2.81Å; R378-R382 PolarHBondContact O-N 3.35Å; R378-R382 VanDerWaalsContact O-N 3.16Å
379	E	51.9	Low	52.8	Low	82 Å²	82	98.9 Å²	98.9	38%	0.383	45%	0.454	S	S	.	.	H	α-helix	trans	-63.3	-40.5	171.2	-68.8	-152.6	118.9	0	0	111.5	E375 K381 R382 Q383	E375-E379 PolarHBondContact O-N 3.39Å; E379-K381 VanDerWaalsContact C-N 3.27Å; E379-K381 PolarHBondContact O-N 3.46Å; E379-R382 CarbonylContact O-C 3.51Å; E379-R382 PolarHBondContact O-N 2.95Å; E379-Q383 WeakPolarHBondContact O-CB 3.3Å; E379-Q383 VanDerWaalsContact O-CG 3.24Å; E379-Q383 WeakPolarHBondContact O-CG 3.46Å; E379-Q383 PolarHBondContact O-N 3.48Å
380	A	53.2	Low	53.4	Low	30 Å²	30	96.8 Å²	96.8	25%	0.248	45%	0.445	C	S	.	.	H	α-helix	trans	-54.9	-41.1	174.9	0	0	0	0	0	112.6	E376 Q383 Q384	E376-A380 VanDerWaalsContact O-CB 3.27Å; E376-A380 WeakPolarHBondContact O-CB 3.17Å; E376-A380 PolarHBondContact O-N 2.76Å; A380-Q383 PolarHBondContact O-N 2.88Å; A380-Q384 WeakPolarHBondContact O-CB 3.42Å; A380-Q384 PolarHBondContact O-N 2.89Å
381	K	53.1	Low	54.2	Low	145 Å²	145	89.5 Å²	89.5	63%	0.63	41%	0.411	S	S	*	.	H	α-helix	trans	-70.6	-37.6	174.8	-72.8	-175.4	176.1	-179.3	0	112.8	R378 E379 Q384 R385	R378-K381 PolarHBondContact O-N 2.81Å; E379-K381 VanDerWaalsContact C-N 3.27Å; E379-K381 PolarHBondContact O-N 3.46Å; K381-Q384 PolarHBondContact O-N 2.96Å; K381-R385 PolarHBondContact O-N 2.96Å
382	R	52.8	Low	55.2	Low	109 Å²	109	80.4 Å²	80.4	41%	0.411	38%	0.377	S	S	.	.	H	α-helix	trans	-65.5	-40.1	172.9	-70.3	-177.4	-179.5	158.7	-4.7	111.8	R378 E379 R385 K386 E442	R378-R382 PolarHBondContact O-N 3.35Å; R378-R382 VanDerWaalsContact O-N 3.16Å; E379-R382 CarbonylContact O-C 3.51Å; E379-R382 PolarHBondContact O-N 2.95Å; R382-R385 PolarHBondContact O-N 2.99Å; R382-K386 WeakPolarHBondContact O-CB 3.36Å; R382-K386 PolarHBondContact O-N 3.09Å; R382-E442 IonicContact CZ-OE1 3.23Å; R382-E442 IonicContact CZ-OE2 3.42Å; R382-E442 IonicContact NE-OE2 2.71Å; R382-E442 PolarHBondContact NE-OE2 3.03Å; R382-E442 IonicContact NH2-OE1 3.63Å; R382-E442 PolarHBondContact NH2-OE1 3.26Å; R382-E442 IonicContact NH2-OE2 2.77Å; R382-E442 PolarHBondContact NH2-OE2 2.77Å
383	Q	48.4	Very low	55.6	Low	76 Å²	76	78.8 Å²	78.8	36%	0.355	37%	0.37	S	S	.	.	H	α-helix	trans	-61.7	-45.1	173.5	-71.7	163.6	0.4	0	0	110.6	E379 A380 R385 K386 L387	E379-Q383 WeakPolarHBondContact O-CB 3.3Å; E379-Q383 VanDerWaalsContact O-CG 3.24Å; E379-Q383 WeakPolarHBondContact O-CG 3.46Å; E379-Q383 PolarHBondContact O-N 3.48Å; A380-Q383 PolarHBondContact O-N 2.88Å; Q383-R385 PolarHBondContact O-N 3.45Å; Q383-K386 PolarHBondContact O-N 3.33Å; Q383-L387 VanDerWaalsContact O-CB 3.28Å; Q383-L387 WeakPolarHBondContact O-CB 3.49Å; Q383-L387 PolarHBondContact O-N 2.87Å
384	Q	54.4	Low	56.1	Low	117 Å²	117	72.8 Å²	72.8	55%	0.547	34%	0.34	S	S	.	.	H	α-helix	trans	-65	-37.3	177	-163.1	173.1	27.6	0	0	112.9	A380 K381 L387 N388	A380-Q384 WeakPolarHBondContact O-CB 3.42Å; A380-Q384 PolarHBondContact O-N 2.89Å; K381-Q384 PolarHBondContact O-N 2.96Å; Q384-L387 WeakPolarHBondContact O-CB 3.4Å; Q384-L387 PolarHBondContact O-N 3.39Å; Q384-N388 PolarHBondContact O-N 2.98Å
385	R	60.8	Low	57.2	Low	87 Å²	87	66.9 Å²	66.9	33%	0.328	31%	0.308	S	S	.	.	H	α-helix	trans	-67.7	-41.8	171.2	-76.1	177.5	170.6	168.2	-5	112.3	K381 R382 Q383 L387 N388 F389 D422 Y444	K381-R385 PolarHBondContact O-N 2.96Å; R382-R385 PolarHBondContact O-N 2.99Å; Q383-R385 PolarHBondContact O-N 3.45Å; R385-L387 VanDerWaalsContact C-N 3.3Å; R385-L387 PolarHBondContact O-N 3.48Å; R385-N388 PolarHBondContact O-N 3.4Å; R385-F389 WeakPolarHBondContact O-CB 3.49Å; R385-F389 PolarHBondContact O-N 3.43Å; R385-D422 IonicContact CZ-OD2 3.54Å; R385-D422 IonicContact NE-OD2 2.96Å; R385-D422 PolarHBondContact NE-OD2 3Å; R385-D422 IonicContact NH2-OD2 2.78Å; R385-D422 PolarHBondContact NH2-OD2 3.15Å; R385-Y444 HydrophobicContact CB-CE2 4.38Å; R385-Y444 HydrophobicContact CG-CE2 4.47Å
386	K	58	Low	58.2	Low	108 Å²	108	63.5 Å²	63.5	47%	0.47	29%	0.292	S	S	.	.	H	α-helix	trans	-63.4	-35.8	174.2	-172.4	-172	172.1	-160.1	0	111.9	R382 Q383 F389 L390 E710	R382-K386 WeakPolarHBondContact O-CB 3.36Å; R382-K386 PolarHBondContact O-N 3.09Å; Q383-K386 PolarHBondContact O-N 3.33Å; K386-F389 WeakPolarHBondContact O-CB 3.38Å; K386-F389 PolarHBondContact O-N 2.84Å; K386-L390 HydrophobicContact CG-CD1 4.49Å; K386-L390 PolarHBondContact O-N 3.21Å; K386-E710 WeakPolarHBondContact CE-OE1 3.35Å; K386-E710 IonicContact NZ-OE1 2.78Å; K386-E710 PolarHBondContact NZ-OE1 3.33Å
387	L	57	Low	58.9	Low	33 Å²	33	58.3 Å²	58.3	17%	0.173	27%	0.268	C	S	.	.	H	α-helix	trans	-62.2	-52.4	172.3	166.8	51.5	0	0	0	111.2	Q383 Q384 R385 F389 L390 I391 W714	Q383-L387 VanDerWaalsContact O-CB 3.28Å; Q383-L387 WeakPolarHBondContact O-CB 3.49Å; Q383-L387 PolarHBondContact O-N 2.87Å; Q384-L387 WeakPolarHBondContact O-CB 3.4Å; Q384-L387 PolarHBondContact O-N 3.39Å; R385-L387 VanDerWaalsContact C-N 3.3Å; R385-L387 PolarHBondContact O-N 3.48Å; L387-F389 PolarHBondContact O-N 3.27Å; L387-L390 PolarHBondContact O-N 3.06Å; L387-L390 VanDerWaalsContact O-N 3.11Å; L387-I391 HydrophobicContact CD1-CD1 3.41Å; L387-I391 VanDerWaalsContact CD1-CD1 3.41Å; L387-I391 HydrophobicContact CD1-CG1 3.81Å; L387-I391 HydrophobicContact CG-CD1 3.98Å; L387-I391 PolarHBondContact O-N 3.17Å; L387-W714 HydrophobicContact CD1-CB 3.85Å; L387-W714 HydrophobicContact CD1-CD2 3.93Å; L387-W714 HydrophobicContact CD1-CG 3.42Å; L387-W714 VanDerWaalsContact CD1-CG 3.42Å
388	N	63.2	Low	59.5	Low	55 Å²	55	52.3 Å²	52.3	29%	0.294	24%	0.241	S	C	.	.	H	α-helix	trans	-59.1	-34	175.5	-75.1	-21.9	0	0	0	112.5	Q384 R385 T392 L420	Q384-N388 PolarHBondContact O-N 2.98Å; R385-N388 PolarHBondContact O-N 3.4Å; N388-T392 WeakPolarHBondContact O-CB 3.38Å; N388-T392 WeakPolarHBondContact O-CG2 3.24Å; N388-T392 PolarHBondContact O-N 3.1Å; N388-T392 PolarHBondContact O-OG1 3.41Å; N388-L420 HydrophobicContact CB-CD2 4.33Å
389	F	66.8	Low	60.2	Low	30 Å²	30	49.5 Å²	49.5	13%	0.132	23%	0.232	C	C	.	.	H	α-helix	trans	-68.5	-38	173.5	172.2	-110.6	0	0	0	113.7	R385 K386 L387 T392 Q393 L420 F449 Q452 A453	R385-F389 WeakPolarHBondContact O-CB 3.49Å; R385-F389 PolarHBondContact O-N 3.43Å; K386-F389 WeakPolarHBondContact O-CB 3.38Å; K386-F389 PolarHBondContact O-N 2.84Å; L387-F389 PolarHBondContact O-N 3.27Å; F389-T392 WeakPolarHBondContact CA-OG1 3.32Å; F389-T392 PolarHBondContact O-OG1 3.06Å; F389-Q393 WeakPolarHBondContact O-CB 3.32Å; F389-Q393 VanDerWaalsContact O-CG 3.26Å; F389-Q393 WeakPolarHBondContact O-CG 3.28Å; F389-Q393 PolarHBondContact O-N 3.09Å; F389-L420 HydrophobicContact CB-CD2 4.49Å; F389-F449 HydrophobicContact CD2-CB 4.1Å; F389-F449 AromaticContact CD2-CD1 3.99Å; F389-F449 HydrophobicContact CD2-CD1 3.99Å; F389-F449 HydrophobicContact CE2-CB 4.28Å; F389-F449 AromaticContact CE2-CD1 3.88Å; F389-F449 HydrophobicContact CE2-CD1 3.88Å; F389-F449 VanDerWaalsContact CE2-O 3.31Å; F389-F449 WeakPolarHBondContact CE2-O 3.45Å; F389-F449 HydrophobicContact CG-CD1 4.46Å; F389-F449 HydrophobicContact CZ-CD1 4.24Å; F389-Q452 HydrophobicContact CE2-CB 4.19Å; F389-Q452 HydrophobicContact CE2-CG 4.44Å; F389-Q452 HydrophobicContact CZ-CB 4.26Å; F389-Q452 HydrophobicContact CZ-CG 4.02Å; F389-A453 HydrophobicContact CD2-CB 3.99Å; F389-A453 HydrophobicContact CE2-CB 3.9Å
390	L	62	Low	60.8	Low	33 Å²	33	46.9 Å²	46.9	17%	0.173	22%	0.219	C	C	.	.	H	α-helix	trans	-78.1	-32.1	173.5	-99.2	71.9	0	0	0	113.2	K386 L387 Q393 T394 W714	K386-L390 HydrophobicContact CG-CD1 4.49Å; K386-L390 PolarHBondContact O-N 3.21Å; L387-L390 PolarHBondContact O-N 3.06Å; L387-L390 VanDerWaalsContact O-N 3.11Å; L390-Q393 PolarHBondContact O-N 2.92Å; L390-T394 PolarHBondContact O-N 3.14Å; L390-T394 PolarHBondContact O-OG1 3.17Å; L390-W714 HydrophobicContact CB-CZ2 4.3Å; L390-W714 HydrophobicContact CD2-CH2 3.91Å; L390-W714 HydrophobicContact CD2-CZ2 3.59Å
391	I	64	Low	61	Low	31 Å²	31	46.5 Å²	46.5	16%	0.159	21%	0.213	C	C	.	.	H	α-helix	trans	-62.4	-49.8	169.5	-75.4	168.5	0	0	0	109.4	L387 Q393 T394 E395	L387-I391 HydrophobicContact CD1-CD1 3.41Å; L387-I391 VanDerWaalsContact CD1-CD1 3.41Å; L387-I391 HydrophobicContact CD1-CG1 3.81Å; L387-I391 HydrophobicContact CG-CD1 3.98Å; L387-I391 PolarHBondContact O-N 3.17Å; I391-Q393 VanDerWaalsContact C-N 3.34Å; I391-Q393 PolarHBondContact O-N 3.44Å; I391-T394 PolarHBondContact O-N 2.84Å; I391-T394 VanDerWaalsContact O-N 3.1Å; I391-T394 PolarHBondContact O-OG1 3.06Å; I391-T394 VanDerWaalsContact O-OG1 3.07Å; I391-E395 HydrophobicContact CG2-CG 4.1Å; I391-E395 WeakPolarHBondContact O-CB 3.22Å; I391-E395 WeakPolarHBondContact O-CG 3.48Å; I391-E395 PolarHBondContact O-N 2.95Å
392	T	68.3	Low	61	Low	2 Å²	2	43.9 Å²	43.9	1%	0.012	21%	0.212	C	C	.	.	H	α-helix	trans	-66.2	-33.6	177.6	47	0	0	0	0	112.5	N388 F389 T394 L396 I416 K419 L420	N388-T392 WeakPolarHBondContact O-CB 3.38Å; N388-T392 WeakPolarHBondContact O-CG2 3.24Å; N388-T392 PolarHBondContact O-N 3.1Å; N388-T392 PolarHBondContact O-OG1 3.41Å; F389-T392 WeakPolarHBondContact CA-OG1 3.32Å; F389-T392 PolarHBondContact O-OG1 3.06Å; T392-T394 PolarHBondContact O-N 3.37Å; T392-L396 WeakPolarHBondContact O-CB 3.37Å; T392-L396 WeakPolarHBondContact O-CD1 3.46Å; T392-L396 WeakPolarHBondContact O-CG 3.3Å; T392-L396 PolarHBondContact O-N 3.48Å; T392-I416 HydrophobicContact CG2-CG2 4.3Å; T392-I416 WeakPolarHBondContact CG2-O 3.12Å; T392-K419 HydrophobicContact CG2-CB 4.19Å; T392-L420 HydrophobicContact CG2-CD2 4.35Å; T392-L420 HydrophobicContact CG2-CG 4.09Å
393	Q	64.5	Low	60.9	Low	28 Å²	28	44.4 Å²	44.4	13%	0.131	21%	0.214	C	C	.	.	H	α-helix	trans	-59.5	-41.8	168.1	-79.3	171.5	14.8	0	0	113.3	F389 L390 I391 Y397 A453 N456	F389-Q393 WeakPolarHBondContact O-CB 3.32Å; F389-Q393 VanDerWaalsContact O-CG 3.26Å; F389-Q393 WeakPolarHBondContact O-CG 3.28Å; F389-Q393 PolarHBondContact O-N 3.09Å; L390-Q393 PolarHBondContact O-N 2.92Å; I391-Q393 VanDerWaalsContact C-N 3.34Å; I391-Q393 PolarHBondContact O-N 3.44Å; Q393-Y397 VanDerWaalsContact O-CB 3.26Å; Q393-Y397 WeakPolarHBondContact O-CB 3.48Å; Q393-Y397 PolarHBondContact O-N 3.36Å; Q393-A453 HydrophobicContact CG-CB 3.75Å; Q393-N456 HydrophobicContact CG-CB 4.37Å; Q393-N456 PolarHBondContact NE2-ND2 2.94Å
394	T	61.6	Low	60.8	Low	14 Å²	14	49 Å²	49	9%	0.086	23%	0.233	C	C	.	.	H	α-helix	trans	-79.9	-32.7	-178.8	47.6	0	0	0	0	113.1	L390 I391 T392 A398 F705	L390-T394 PolarHBondContact O-N 3.14Å; L390-T394 PolarHBondContact O-OG1 3.17Å; I391-T394 PolarHBondContact O-N 2.84Å; I391-T394 VanDerWaalsContact O-N 3.1Å; I391-T394 PolarHBondContact O-OG1 3.06Å; I391-T394 VanDerWaalsContact O-OG1 3.07Å; T392-T394 PolarHBondContact O-N 3.37Å; T394-A398 VanDerWaalsContact O-CB 3.32Å; T394-A398 WeakPolarHBondContact O-CB 3.41Å; T394-A398 PolarHBondContact O-N 2.78Å; T394-F705 HydrophobicContact CG2-CE1 4.41Å; T394-F705 HydrophobicContact CG2-CZ 4.44Å
395	E	67.6	Low	60.2	Low	5 Å²	5	51.5 Å²	51.5	2%	0.023	24%	0.238	C	C	.	.	H	α-helix	trans	-64.4	-46	167.1	-71.4	-170	168.8	0	0	111.1	I391 A398 H399 I416 K419 M739	I391-E395 HydrophobicContact CG2-CG 4.1Å; I391-E395 WeakPolarHBondContact O-CB 3.22Å; I391-E395 WeakPolarHBondContact O-CG 3.48Å; I391-E395 PolarHBondContact O-N 2.95Å; E395-A398 PolarHBondContact O-N 2.78Å; E395-H399 VanDerWaalsContact O-CB 3.28Å; E395-H399 WeakPolarHBondContact O-CB 3.08Å; E395-H399 PolarHBondContact O-N 2.85Å; E395-I416 HydrophobicContact CB-CG2 3.92Å; E395-K419 VanDerWaalsContact CD-NZ 3.26Å; E395-K419 IonicContact OE1-NZ 2.65Å; E395-K419 PolarHBondContact OE1-NZ 3.48Å; E395-K419 VanDerWaalsContact OE1-NZ 3.11Å; E395-K419 IonicContact OE2-NZ 2.79Å; E395-K419 PolarHBondContact OE2-NZ 3.24Å; E395-M739 VanDerWaalsContact CD-CE 3.41Å; E395-M739 HydrophobicContact CG-CE 3.7Å; E395-M739 WeakPolarHBondContact OE1-CE 3.33Å
396	L	67.2	Low	59	Low	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-42.2	175.5	-73.6	166.7	0	0	0	111.7	T392 H399 F400 Q413 I416 L417 A453 L454 A457	T392-L396 WeakPolarHBondContact O-CB 3.37Å; T392-L396 WeakPolarHBondContact O-CD1 3.46Å; T392-L396 WeakPolarHBondContact O-CG 3.3Å; T392-L396 PolarHBondContact O-N 3.48Å; L396-H399 PolarHBondContact O-N 2.68Å; L396-F400 HydrophobicContact CB-CD2 4.49Å; L396-F400 HydrophobicContact CB-CE2 4.29Å; L396-F400 WeakPolarHBondContact O-CB 3.14Å; L396-F400 WeakPolarHBondContact O-CD2 3.29Å; L396-F400 WeakPolarHBondContact O-CG 3.36Å; L396-F400 PolarHBondContact O-N 2.79Å; L396-Q413 HydrophobicContact CD2-CG 4.01Å; L396-I416 HydrophobicContact CD2-CB 4.49Å; L396-I416 HydrophobicContact CD2-CG2 3.91Å; L396-I416 HydrophobicContact CG-CG2 3.84Å; L396-L417 HydrophobicContact CD1-CD2 3.84Å; L396-L417 HydrophobicContact CD2-CD2 4.39Å; L396-L417 HydrophobicContact CD2-CG 4.33Å; L396-A453 HydrophobicContact CD1-CB 4.17Å; L396-L454 HydrophobicContact CD1-CD2 3.89Å; L396-L454 HydrophobicContact CD1-CG 4.11Å; L396-L454 HydrophobicContact CD2-CD2 3.84Å; L396-L454 HydrophobicContact CG-CD2 4.42Å; L396-A457 HydrophobicContact CB-CB 4.2Å
397	Y	65.4	Low	58	Low	4 Å²	4	58.4 Å²	58.4	2%	0.016	28%	0.282	C	S	.	.	H	α-helix	trans	-61	-46.9	174.5	-177.3	-87.2	0	0	0	111.3	Q393 H399 F400 M401 A460 M701 L704	Q393-Y397 VanDerWaalsContact O-CB 3.26Å; Q393-Y397 WeakPolarHBondContact O-CB 3.48Å; Q393-Y397 PolarHBondContact O-N 3.36Å; Y397-H399 VanDerWaalsContact C-N 3.32Å; Y397-H399 PolarHBondContact O-N 3.07Å; Y397-F400 PolarHBondContact O-N 2.83Å; Y397-M401 HydrophobicContact CD1-CG 3.92Å; Y397-M401 HydrophobicContact CD1-SD 4.25Å; Y397-M401 HydrophobicContact CE1-CG 3.67Å; Y397-M401 HydrophobicContact CE1-SD 3.41Å; Y397-M401 WeakPolarHBondContact CE1-SD 3.29Å; Y397-M401 WeakPolarHBondContact O-CG 3.33Å; Y397-M401 PolarHBondContact O-N 3.02Å; Y397-A460 HydrophobicContact CD2-CB 4.09Å; Y397-A460 HydrophobicContact CE2-CB 4.02Å; Y397-M701 HydrophobicContact CE1-CE 4.27Å; Y397-M701 HydrophobicContact CE1-SD 3.82Å; Y397-L704 HydrophobicContact CD1-CD1 3.54Å; Y397-L704 HydrophobicContact CD2-CD1 4.19Å; Y397-L704 HydrophobicContact CD2-CD2 4.33Å; Y397-L704 HydrophobicContact CE1-CD1 3.49Å; Y397-L704 VanDerWaalsContact CE1-CD1 3.49Å; Y397-L704 HydrophobicContact CE2-CD1 4.13Å; Y397-L704 HydrophobicContact CG-CD1 3.9Å; Y397-L704 HydrophobicContact CG-CD2 4.4Å
398	A	60.2	Low	57.3	Low	17 Å²	17	60.4 Å²	60.4	14%	0.14	31%	0.31	C	S	.	.	H	α-helix	trans	-63.3	-37.1	175.5	0	0	0	0	0	112.4	T394 E395 M401 S402	T394-A398 VanDerWaalsContact O-CB 3.32Å; T394-A398 WeakPolarHBondContact O-CB 3.41Å; T394-A398 PolarHBondContact O-N 2.78Å; E395-A398 PolarHBondContact O-N 2.78Å; A398-M401 PolarHBondContact O-N 3.3Å; A398-S402 WeakPolarHBondContact O-CB 3.26Å; A398-S402 PolarHBondContact O-N 3.32Å
399	H	64.6	Low	56.4	Low	34 Å²	34	62.9 Å²	62.9	16%	0.157	32%	0.32	C	S	.	.	H	α-helix	trans	-64.6	-47.2	173.7	-177.8	-104.3	0	0	0	111.3	E395 L396 Y397 M401 S402 R403 I416	E395-H399 VanDerWaalsContact O-CB 3.28Å; E395-H399 WeakPolarHBondContact O-CB 3.08Å; E395-H399 PolarHBondContact O-N 2.85Å; L396-H399 PolarHBondContact O-N 2.68Å; Y397-H399 VanDerWaalsContact C-N 3.32Å; Y397-H399 PolarHBondContact O-N 3.07Å; H399-M401 VanDerWaalsContact C-N 3.33Å; H399-M401 PolarHBondContact O-N 3.11Å; H399-S402 CarbonylContact O-C 3.51Å; H399-S402 WeakPolarHBondContact O-CA 3.47Å; H399-S402 WeakPolarHBondContact O-CB 3.48Å; H399-S402 PolarHBondContact O-N 3.36Å; H399-R403 WeakPolarHBondContact O-CB 3.29Å; H399-R403 PolarHBondContact O-N 3.01Å; H399-I416 HydrophobicContact CB-CD1 4.07Å
400	F	64	Low	55.7	Low	26 Å²	26	65.9 Å²	65.9	11%	0.114	34%	0.337	C	S	.	.	H	α-helix	trans	-60.9	-38.1	174.6	-71.4	-49.6	0	0	0	112.5	L396 Y397 S402 R403 L454 A457 E458	L396-F400 HydrophobicContact CB-CD2 4.49Å; L396-F400 HydrophobicContact CB-CE2 4.29Å; L396-F400 WeakPolarHBondContact O-CB 3.14Å; L396-F400 WeakPolarHBondContact O-CD2 3.29Å; L396-F400 WeakPolarHBondContact O-CG 3.36Å; L396-F400 PolarHBondContact O-N 2.79Å; Y397-F400 PolarHBondContact O-N 2.83Å; F400-S402 PolarHBondContact O-N 2.92Å; F400-R403 PolarHBondContact O-N 2.98Å; F400-L454 HydrophobicContact CE2-CD2 4.19Å; F400-L454 HydrophobicContact CZ-CD2 3.77Å; F400-A457 HydrophobicContact CD2-CB 4.08Å; F400-A457 HydrophobicContact CE2-CB 4.03Å; F400-E458 HydrophobicContact CE2-CG 3.88Å; F400-E458 HydrophobicContact CZ-CG 4Å
401	M	57.3	Low	55.5	Low	23 Å²	23	66.7 Å²	66.7	11%	0.113	35%	0.353	C	S	.	.	H	α-helix	trans	-61.9	-33.4	170.8	-58.1	-123.7	77	0	0	111.9	Y397 A398 H399 Y461 I539	Y397-M401 HydrophobicContact CD1-CG 3.92Å; Y397-M401 HydrophobicContact CD1-SD 4.25Å; Y397-M401 HydrophobicContact CE1-CG 3.67Å; Y397-M401 HydrophobicContact CE1-SD 3.41Å; Y397-M401 WeakPolarHBondContact CE1-SD 3.29Å; Y397-M401 WeakPolarHBondContact O-CG 3.33Å; Y397-M401 PolarHBondContact O-N 3.02Å; A398-M401 PolarHBondContact O-N 3.3Å; H399-M401 VanDerWaalsContact C-N 3.33Å; H399-M401 PolarHBondContact O-N 3.11Å; M401-Y461 HydrophobicContact CE-CD2 4.02Å; M401-Y461 HydrophobicContact CE-CE2 3.85Å; M401-I539 HydrophobicContact CE-CD1 3.54Å; M401-I539 HydrophobicContact CE-CG1 3.69Å; M401-I539 HydrophobicContact SD-CD1 3.58Å; M401-I539 VanDerWaalsContact SD-CD1 3.58Å; M401-I539 HydrophobicContact SD-CG1 3.94Å
402	S	54.2	Low	55.2	Low	89 Å²	89	68 Å²	68	62%	0.622	36%	0.36	S	S	*	.	H	α-helix	trans	-86.6	-10.3	178.5	-166.4	0	0	0	0	114.8	A398 H399 F400 K404	A398-S402 WeakPolarHBondContact O-CB 3.26Å; A398-S402 PolarHBondContact O-N 3.32Å; H399-S402 CarbonylContact O-C 3.51Å; H399-S402 WeakPolarHBondContact O-CA 3.47Å; H399-S402 WeakPolarHBondContact O-CB 3.48Å; H399-S402 PolarHBondContact O-N 3.36Å; F400-S402 PolarHBondContact O-N 2.92Å; S402-K404 PolarHBondContact O-N 2.94Å
403	R	50.2	Low	54.9	Low	120 Å²	120	69.4 Å²	69.4	45%	0.453	37%	0.366	S	S	.	.			trans	-77.9	45.4	-167.9	-156.3	-179.2	-175.4	-159	3.3	113.9	H399 F400 D410 Q413	H399-R403 WeakPolarHBondContact O-CB 3.29Å; H399-R403 PolarHBondContact O-N 3.01Å; F400-R403 PolarHBondContact O-N 2.98Å; R403-D410 IonicContact CZ-OD1 2.69Å; R403-D410 IonicContact NE-OD1 3.56Å; R403-D410 IonicContact NH2-OD1 2.65Å; R403-D410 PolarHBondContact NH2-OD1 3.09Å; R403-Q413 VanDerWaalsContact CZ-OE1 3.29Å
404	K	46.7	Very low	54.8	Low	174 Å²	174	72.8 Å²	72.8	76%	0.757	38%	0.382	S	S	*	.	S	Bend	trans	-128.4	25.6	173.7	-143.5	-173.2	-179.9	-167.3	0	113.8	S402 P502	S402-K404 PolarHBondContact O-N 2.94Å; K404-P502 PolarHBondContact NZ-O 3.22Å
405	R	40.1	Very low	55	Low	169 Å²	169	78 Å²	78	64%	0.638	41%	0.406	S	S	*	.	S	Bend	trans	-135.1	151.2	162.6	-73.6	-176.1	173.2	163.1	-5.6	109.4	A506	R405-A506 PolarHBondContact NH2-O 3.19Å
406	D	36.2	Very low	55	Low	129 Å²	129	78.3 Å²	78.3	69%	0.69	41%	0.407	S	S	*	.			trans	58.8	97.7	174.3	-51.4	-24.4	0	0	0	117.1	G408	D406-G408 PolarHBondContact O-N 3.49Å
407	M	36.9	Very low	54.9	Low	211 Å²	211	79.3 Å²	79.3	100%	1.039	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	72.4	168.8	-75.8	-71.1	-156.7	0	0	111
408	G	43.5	Very low	55	Low	74 Å²	74	86 Å²	86	76%	0.763	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-179.9	5.5	177	0	0	0	0	0	116.6	D406	D406-G408 PolarHBondContact O-N 3.49Å
409	H	43.7	Very low	55.3	Low	107 Å²	107	89 Å²	89	50%	0.495	45%	0.447	S	S	.	.			trans	-109.9	23.1	-164.6	-127.2	-44.5	0	0	0	116.7	G411 I412	H409-G411 PolarHBondContact O-N 3.14Å; H409-I412 WeakPolarHBondContact CE1-CD1 3.44Å; H409-I412 WeakPolarHBondContact ND1-CD1 3.41Å; H409-I412 WeakPolarHBondContact ND1-CG1 3.31Å; H409-I412 PolarHBondContact O-N 3.02Å
410	D	52	Low	55.2	Low	94 Å²	94	87.6 Å²	87.6	50%	0.503	44%	0.441	S	S	.	.	H	α-helix	trans	-56.5	-22.4	177.8	-74.1	-29.8	0	0	0	113.6	R403 I412 Q413 E414	R403-D410 IonicContact CZ-OD1 2.69Å; R403-D410 IonicContact NE-OD1 3.56Å; R403-D410 IonicContact NH2-OD1 2.65Å; R403-D410 PolarHBondContact NH2-OD1 3.09Å; D410-I412 PolarHBondContact O-N 2.87Å; D410-Q413 WeakPolarHBondContact O-CA 3.35Å; D410-Q413 WeakPolarHBondContact O-CB 3.39Å; D410-Q413 PolarHBondContact O-N 3.18Å; D410-E414 PolarHBondContact O-N 3.02Å
411	G	56.8	Low	55	Low	49 Å²	49	91.2 Å²	91.2	51%	0.505	46%	0.459	S	S	.	.	H	α-helix	trans	-55.8	-29.6	170.8	0	0	0	0	0	115.1	H409 E415	H409-G411 PolarHBondContact O-N 3.14Å; G411-E415 VanDerWaalsContact O-CB 3.28Å; G411-E415 WeakPolarHBondContact O-CB 3.46Å; G411-E415 PolarHBondContact O-N 2.75Å
412	I	58.9	Low	54.9	Low	58 Å²	58	95.1 Å²	95.1	30%	0.297	48%	0.48	S	S	.	.	H	α-helix	trans	-74.9	-35.1	173.7	-74.7	173.9	0	0	0	110.9	H409 D410 E414 E415 I416	H409-I412 WeakPolarHBondContact CE1-CD1 3.44Å; H409-I412 WeakPolarHBondContact ND1-CD1 3.41Å; H409-I412 WeakPolarHBondContact ND1-CG1 3.31Å; H409-I412 PolarHBondContact O-N 3.02Å; D410-I412 PolarHBondContact O-N 2.87Å; I412-E414 VanDerWaalsContact C-N 3.34Å; I412-E415 PolarHBondContact O-N 2.66Å; I412-I416 HydrophobicContact CG2-CD1 3.94Å; I412-I416 HydrophobicContact CG2-CG1 4.5Å; I412-I416 VanDerWaalsContact O-CG1 3.3Å; I412-I416 WeakPolarHBondContact O-CG1 3.46Å; I412-I416 PolarHBondContact O-N 2.85Å
413	Q	61.3	Low	54.4	Low	32 Å²	32	95.9 Å²	95.9	15%	0.15	49%	0.485	C	S	.	.	H	α-helix	trans	-65.6	-41.7	174.4	-166.6	176.4	-64.8	0	0	110.3	L396 R403 D410 L417	L396-Q413 HydrophobicContact CD2-CG 4.01Å; R403-Q413 VanDerWaalsContact CZ-OE1 3.29Å; D410-Q413 WeakPolarHBondContact O-CA 3.35Å; D410-Q413 WeakPolarHBondContact O-CB 3.39Å; D410-Q413 PolarHBondContact O-N 3.18Å; Q413-L417 HydrophobicContact CG-CD1 4.23Å; Q413-L417 WeakPolarHBondContact O-CB 3.21Å; Q413-L417 WeakPolarHBondContact O-CD1 3.34Å; Q413-L417 WeakPolarHBondContact O-CG 3.39Å; Q413-L417 PolarHBondContact O-N 3.37Å; Q413-L417 VanDerWaalsContact O-N 3.08Å
414	E	61.6	Low	54	Low	100 Å²	100	95.8 Å²	95.8	47%	0.467	50%	0.503	S	S	.	.	H	α-helix	trans	-63.2	-44	170.4	-73	-165.1	-169.4	0	0	112.7	D410 I412 I416 L417 R418	D410-E414 PolarHBondContact O-N 3.02Å; I412-E414 VanDerWaalsContact C-N 3.34Å; E414-I416 VanDerWaalsContact C-N 3.32Å; E414-I416 PolarHBondContact O-N 2.78Å; E414-L417 CarbonylContact O-C 3.27Å; E414-L417 PolarHBondContact O-N 3.16Å; E414-R418 WeakPolarHBondContact O-CB 3.2Å; E414-R418 VanDerWaalsContact O-CG 3.28Å; E414-R418 WeakPolarHBondContact O-CG 3.34Å; E414-R418 PolarHBondContact O-N 3.32Å; E414-R418 IonicContact OE2-CZ 2.7Å; E414-R418 IonicContact OE2-NE 3.7Å; E414-R418 IonicContact OE2-NH2 2.8Å; E414-R418 PolarHBondContact OE2-NH2 3.39Å
415	E	66.4	Low	53.6	Low	123 Å²	123	93.1 Å²	93.1	58%	0.575	50%	0.502	S	S	*	.	H	α-helix	trans	-59.6	-41	178.4	-174.6	180	-170.1	0	0	112	G411 I412	G411-E415 VanDerWaalsContact O-CB 3.28Å; G411-E415 WeakPolarHBondContact O-CB 3.46Å; G411-E415 PolarHBondContact O-N 2.75Å; I412-E415 PolarHBondContact O-N 2.66Å
416	I	67.6	Low	53.5	Low	11 Å²	11	94.2 Å²	94.2	6%	0.056	51%	0.514	C	S	.	.	H	α-helix	trans	-63.8	-41.7	172.7	-68.4	165.2	0	0	0	111	T392 E395 L396 H399 I412 E414 K419	T392-I416 HydrophobicContact CG2-CG2 4.3Å; T392-I416 WeakPolarHBondContact CG2-O 3.12Å; E395-I416 HydrophobicContact CB-CG2 3.92Å; L396-I416 HydrophobicContact CD2-CB 4.49Å; L396-I416 HydrophobicContact CD2-CG2 3.91Å; L396-I416 HydrophobicContact CG-CG2 3.84Å; H399-I416 HydrophobicContact CB-CD1 4.07Å; I412-I416 HydrophobicContact CG2-CD1 3.94Å; I412-I416 HydrophobicContact CG2-CG1 4.5Å; I412-I416 VanDerWaalsContact O-CG1 3.3Å; I412-I416 WeakPolarHBondContact O-CG1 3.46Å; I412-I416 PolarHBondContact O-N 2.85Å; E414-I416 VanDerWaalsContact C-N 3.32Å; E414-I416 PolarHBondContact O-N 2.78Å; I416-K419 WeakPolarHBondContact O-CB 3.48Å; I416-K419 PolarHBondContact O-N 3.48Å
417	L	65.4	Low	53.4	Low	22 Å²	22	98.9 Å²	98.9	12%	0.115	52%	0.522	C	S	.	.	H	α-helix	trans	-72.8	-32	-179.7	-71.1	165	0	0	0	113.6	L396 Q413 E414 K419 L420 K450 L454	L396-L417 HydrophobicContact CD1-CD2 3.84Å; L396-L417 HydrophobicContact CD2-CD2 4.39Å; L396-L417 HydrophobicContact CD2-CG 4.33Å; Q413-L417 HydrophobicContact CG-CD1 4.23Å; Q413-L417 WeakPolarHBondContact O-CB 3.21Å; Q413-L417 WeakPolarHBondContact O-CD1 3.34Å; Q413-L417 WeakPolarHBondContact O-CG 3.39Å; Q413-L417 PolarHBondContact O-N 3.37Å; Q413-L417 VanDerWaalsContact O-N 3.08Å; E414-L417 CarbonylContact O-C 3.27Å; E414-L417 PolarHBondContact O-N 3.16Å; L417-K419 PolarHBondContact O-N 2.73Å; L417-L420 WeakPolarHBondContact O-CB 3.08Å; L417-L420 PolarHBondContact O-N 2.9Å; L417-L420 VanDerWaalsContact O-N 3.12Å; L417-K450 HydrophobicContact CB-CG 4.43Å; L417-K450 HydrophobicContact CD2-CB 4.04Å; L417-K450 HydrophobicContact CD2-CG 4.1Å; L417-K450 WeakPolarHBondContact O-CE 3.15Å; L417-L454 HydrophobicContact CD1-CD1 4.02Å; L417-L454 HydrophobicContact CD1-CD2 4.35Å; L417-L454 HydrophobicContact CD1-CG 4.5Å; L417-L454 HydrophobicContact CD2-CD1 4.1Å; L417-L454 HydrophobicContact CD2-CD2 4.37Å; L417-L454 HydrophobicContact CD2-CG 4.03Å
418	R	67.3	Low	53.4	Low	144 Å²	144	97.3 Å²	97.3	54%	0.543	51%	0.512	S	S	.	.	H	α-helix	trans	-65.4	-19.5	175.2	-72.4	174.8	-163	-155.8	6.8	112.3	E414 L420 E421	E414-R418 WeakPolarHBondContact O-CB 3.2Å; E414-R418 VanDerWaalsContact O-CG 3.28Å; E414-R418 WeakPolarHBondContact O-CG 3.34Å; E414-R418 PolarHBondContact O-N 3.32Å; E414-R418 IonicContact OE2-CZ 2.7Å; E414-R418 IonicContact OE2-NE 3.7Å; E414-R418 IonicContact OE2-NH2 2.8Å; E414-R418 PolarHBondContact OE2-NH2 3.39Å; R418-L420 PolarHBondContact O-N 3.47Å; R418-L420 VanDerWaalsContact O-N 3.09Å; R418-E421 WeakPolarHBondContact O-CB 3.47Å; R418-E421 PolarHBondContact O-N 3.31Å
419	K	65.6	Low	53	Low	79 Å²	79	100.5 Å²	100.5	34%	0.343	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-6.9	170.3	-58.5	171.6	-170.9	173.6	0	114.1	T392 E395 I416 L417	T392-K419 HydrophobicContact CG2-CB 4.19Å; E395-K419 VanDerWaalsContact CD-NZ 3.26Å; E395-K419 IonicContact OE1-NZ 2.65Å; E395-K419 PolarHBondContact OE1-NZ 3.48Å; E395-K419 VanDerWaalsContact OE1-NZ 3.11Å; E395-K419 IonicContact OE2-NZ 2.79Å; E395-K419 PolarHBondContact OE2-NZ 3.24Å; I416-K419 WeakPolarHBondContact O-CB 3.48Å; I416-K419 PolarHBondContact O-N 3.48Å; L417-K419 PolarHBondContact O-N 2.73Å
420	L	63.6	Low	52.5	Low	5 Å²	5	102.2 Å²	102.2	3%	0.026	52%	0.523	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	7.6	171.3	-66.8	173.2	0	0	0	113.5	N388 F389 T392 L417 R418 S446 K450	N388-L420 HydrophobicContact CB-CD2 4.33Å; F389-L420 HydrophobicContact CB-CD2 4.49Å; T392-L420 HydrophobicContact CG2-CD2 4.35Å; T392-L420 HydrophobicContact CG2-CG 4.09Å; L417-L420 WeakPolarHBondContact O-CB 3.08Å; L417-L420 PolarHBondContact O-N 2.9Å; L417-L420 VanDerWaalsContact O-N 3.12Å; R418-L420 PolarHBondContact O-N 3.47Å; R418-L420 VanDerWaalsContact O-N 3.09Å; L420-S446 WeakPolarHBondContact O-CB 3.27Å; L420-S446 PolarHBondContact O-OG 3.07Å; L420-K450 HydrophobicContact CB-CG 4.15Å; L420-K450 HydrophobicContact CD1-CB 4.46Å; L420-K450 HydrophobicContact CD1-CG 3.81Å
421	E	60.6	Low	51.8	Low	103 Å²	103	104.9 Å²	104.9	48%	0.481	54%	0.536	S	S	.	.	S	Bend	trans	-96	120.6	176.4	-61.9	172.6	174.5	0	0	109.7	R418 S423 K450	R418-E421 WeakPolarHBondContact O-CB 3.47Å; R418-E421 PolarHBondContact O-N 3.31Å; E421-S423 PolarHBondContact O-N 3.09Å; E421-K450 IonicContact OE1-NZ 3.05Å; E421-K450 PolarHBondContact OE1-NZ 3.17Å
422	D	55.1	Low	50.8	Low	104 Å²	104	106.5 Å²	106.5	56%	0.556	55%	0.552	S	S	*	*			trans	-73.9	110.3	175.5	-89.1	-14.7	0	0	0	109.8	R385 S424	R385-D422 IonicContact CZ-OD2 3.54Å; R385-D422 IonicContact NE-OD2 2.96Å; R385-D422 PolarHBondContact NE-OD2 3Å; R385-D422 IonicContact NH2-OD2 2.78Å; R385-D422 PolarHBondContact NH2-OD2 3.15Å; D422-S424 PolarHBondContact O-N 2.64Å
423	S	43.8	Very low	49.9	Very low	105 Å²	105	107.3 Å²	107.3	73%	0.734	58%	0.575	S	S	*	*			trans	-74.5	110.5	170.5	56.1	0	0	0	0	110.3	E421 T425	E421-S423 PolarHBondContact O-N 3.09Å; S423-T425 PolarHBondContact O-N 2.83Å
424	S	41.9	Very low	49.1	Very low	119 Å²	119	109.4 Å²	109.4	83%	0.832	61%	0.605	S	S	*	*			trans	-75.4	78.1	-170.1	60.7	0	0	0	0	113.5	D422	D422-S424 PolarHBondContact O-N 2.64Å
425	T	36.3	Very low	47.6	Very low	118 Å²	118	110.8 Å²	110.8	72%	0.724	62%	0.62	S	S	*	*			trans	-93.1	100.1	169.4	61.3	0	0	0	0	111	S423 R427	S423-T425 PolarHBondContact O-N 2.83Å; T425-R427 PolarHBondContact O-N 3.11Å
426	Q	38.3	Very low	46.3	Very low	192 Å²	192	111.1 Å²	111.1	90%	0.897	63%	0.63	S	S	*	*			trans	-61.2	129.1	167.1	-70.5	170.6	-43.6	0	0	109.9
427	R	35.6	Very low	44.7	Very low	227 Å²	227	115.9 Å²	115.9	86%	0.857	66%	0.66	S	S	*	*			trans	-122.3	98.2	158.5	-75.1	-167.1	178.3	-171.8	1.2	108.5	T425	T425-R427 PolarHBondContact O-N 3.11Å
428	Q	35.7	Very low	43.4	Very low	178 Å²	178	121.7 Å²	121.7	83%	0.832	69%	0.691	S	S	*	*			trans	-68.8	126.9	171.5	-172.3	173	-0.6	0	0	108.5
429	I	35.1	Very low	42	Very low	140 Å²	140	120.8 Å²	120.8	72%	0.718	70%	0.695	S	S	*	*			trans	-131.2	107.7	174.6	-59.3	179.1	0	0	0	106.4	I431	I429-I431 HydrophobicContact CG2-CG1 4.43Å
430	D	34.2	Very low	40.7	Very low	143 Å²	143	122.5 Å²	122.5	77%	0.765	71%	0.713	S	S	*	*			trans	-78.3	126.9	174.5	-100.2	-40.7	0	0	0	110.6
431	I	36.3	Very low	39.8	Very low	151 Å²	151	131.2 Å²	131.2	77%	0.774	75%	0.753	S	S	*	*			trans	-133.2	117.3	161.7	-60.5	-178.3	0	0	0	106.1	I429	I429-I431 HydrophobicContact CG2-CG1 4.43Å
432	G	36.3	Very low	39	Very low	82 Å²	82	131.6 Å²	131.6	85%	0.845	76%	0.755	S	S	*	*	S	Bend	trans	-68.2	135.6	-169.9	0	0	0	0	0	113.8
433	G	39.7	Very low	38.8	Very low	75 Å²	75	134.3 Å²	134.3	77%	0.773	77%	0.77	S	S	*	*			trans	143.1	65.1	-177.8	0	0	0	0	0	111.1	V435	G433-V435 PolarHBondContact O-N 3.39Å
434	G	44.8	Very low	39.5	Very low	77 Å²	77	132 Å²	132	79%	0.794	75%	0.745	S	S	*	*			trans	-72.3	118.3	-160.9	0	0	0	0	0	116
435	V	31	Very low	40.6	Very low	128 Å²	128	130.3 Å²	130.3	78%	0.776	73%	0.727	S	S	*	*			trans	-132.6	113.8	145.6	-179	0	0	0	0	107.5	G433 V437	G433-V435 PolarHBondContact O-N 3.39Å; V435-V437 HydrophobicContact CG1-CG2 4.14Å; V435-V437 PolarHBondContact O-N 2.78Å
436	V	38.6	Very low	41.9	Very low	131 Å²	131	125.6 Å²	125.6	79%	0.794	70%	0.699	S	S	*	*			trans	-89.2	96.8	178.7	-177.1	0	0	0	0	109.4
437	V	33.5	Very low	43.2	Very low	111 Å²	111	121.4 Å²	121.4	67%	0.673	68%	0.682	S	S	*	*			trans	-91.8	108.3	164.9	-177.3	0	0	0	0	108.2	V435 I439	V435-V437 HydrophobicContact CG1-CG2 4.14Å; V435-V437 PolarHBondContact O-N 2.78Å; V437-I439 PolarHBondContact O-N 3.07Å
438	N	37.8	Very low	45	Very low	144 Å²	144	115.7 Å²	115.7	77%	0.77	67%	0.665	S	S	*	*			trans	-64.1	99.4	167.8	-83.6	-16.8	0	0	0	109	T440	N438-T440 PolarHBondContact O-N 2.92Å; N438-T440 VanDerWaalsContact O-N 3.1Å
439	I	37.3	Very low	46.5	Very low	124 Å²	124	110.4 Å²	110.4	64%	0.636	64%	0.639	S	S	*	*			trans	-65.7	110.7	167.7	-61.4	177.8	0	0	0	106.9	V437 Q441	V437-I439 PolarHBondContact O-N 3.07Å; I439-Q441 PolarHBondContact O-N 3.02Å
440	T	38.5	Very low	48.3	Very low	116 Å²	116	105 Å²	105	71%	0.712	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-51.5	135.3	174.8	46.6	0	0	0	0	110.8	N438 E442	N438-T440 PolarHBondContact O-N 2.92Å; N438-T440 VanDerWaalsContact O-N 3.1Å; T440-E442 PolarHBondContact O-N 3.16Å
441	Q	46.3	Very low	50.1	Low	188 Å²	188	100.9 Å²	100.9	88%	0.879	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-60.9	119.3	170.8	-67.3	167.2	-65.8	0	0	108.6	I439	I439-Q441 PolarHBondContact O-N 3.02Å
442	E	44	Very low	51.9	Low	111 Å²	111	96.8 Å²	96.8	52%	0.519	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-82.5	123.3	163.2	-61.5	-167.2	143.3	0	0	107.6	R382 T440 Y444	R382-E442 IonicContact CZ-OE1 3.23Å; R382-E442 IonicContact CZ-OE2 3.42Å; R382-E442 IonicContact NE-OE2 2.71Å; R382-E442 PolarHBondContact NE-OE2 3.03Å; R382-E442 IonicContact NH2-OE1 3.63Å; R382-E442 PolarHBondContact NH2-OE1 3.26Å; R382-E442 IonicContact NH2-OE2 2.77Å; R382-E442 PolarHBondContact NH2-OE2 2.77Å; T440-E442 PolarHBondContact O-N 3.16Å; E442-Y444 PolarHBondContact O-N 3.4Å
443	D	49.8	Very low	53.6	Low	161 Å²	161	92.9 Å²	92.9	86%	0.861	53%	0.534	S	S	*	.			trans	-62.8	92.8	-176.9	-68.5	-53.8	0	0	0	112	D445	D443-D445 PolarHBondContact O-N 2.89Å; D443-D445 VanDerWaalsContact O-N 3.16Å
444	Y	58.9	Low	55.1	Low	56 Å²	56	91 Å²	91	22%	0.22	51%	0.506	C	S	.	.			trans	-84.6	81.6	173.9	-175.6	-110.5	0	0	0	110.2	R385 E442 S446 F449	R385-Y444 HydrophobicContact CB-CE2 4.38Å; R385-Y444 HydrophobicContact CG-CE2 4.47Å; E442-Y444 PolarHBondContact O-N 3.4Å; Y444-S446 VanDerWaalsContact C-N 3.31Å; Y444-S446 PolarHBondContact O-N 2.89Å; Y444-F449 AromaticContact CD2-CD2 3.88Å; Y444-F449 HydrophobicContact CD2-CD2 3.88Å; Y444-F449 AromaticContact CD2-CE2 3.66Å; Y444-F449 HydrophobicContact CD2-CE2 3.66Å; Y444-F449 AromaticContact CE2-CD2 3.39Å; Y444-F449 HydrophobicContact CE2-CD2 3.39Å; Y444-F449 AromaticContact CE2-CE2 3.51Å; Y444-F449 HydrophobicContact CE2-CE2 3.51Å; Y444-F449 HydrophobicContact CE2-CG 4.19Å; Y444-F449 HydrophobicContact CE2-CZ 4.36Å; Y444-F449 AromaticContact CZ-CD2 3.98Å
445	D	65.5	Low	56.6	Low	84 Å²	84	93 Å²	93	45%	0.449	49%	0.493	S	S	.	.			trans	-69	88.5	173.4	-176.9	-0.4	0	0	0	111.1	D443 N447 H448 F449	D443-D445 PolarHBondContact O-N 2.89Å; D443-D445 VanDerWaalsContact O-N 3.16Å; D445-N447 PolarHBondContact O-N 3.41Å; D445-N447 VanDerWaalsContact O-N 3.16Å; D445-N447 WeakPolarHBondContact OD1-CA 3.29Å; D445-N447 WeakPolarHBondContact OD1-CB 3.44Å; D445-N447 PolarHBondContact OD1-N 3.1Å; D445-H448 HydrophobicContact CB-CB 3.99Å; D445-H448 PolarHBondContact O-N 3.42Å; D445-H448 PolarHBondContact OD1-N 3.18Å; D445-H448 WeakPolarHBondContact OD2-CB 3.41Å; D445-F449 WeakPolarHBondContact O-CD2 3.41Å; D445-F449 PolarHBondContact O-N 2.65Å; D445-F449 VanDerWaalsContact O-N 3.14Å
446	S	62.1	Low	58.7	Low	19 Å²	19	89.6 Å²	89.6	13%	0.133	47%	0.47	C	S	.	.	H	α-helix	trans	-50.7	-33.8	173	179.2	0	0	0	0	112.5	L420 Y444 F449 K450	L420-S446 WeakPolarHBondContact O-CB 3.27Å; L420-S446 PolarHBondContact O-OG 3.07Å; Y444-S446 VanDerWaalsContact C-N 3.31Å; Y444-S446 PolarHBondContact O-N 2.89Å; S446-F449 PolarHBondContact O-N 2.85Å; S446-K450 WeakPolarHBondContact O-CB 3.07Å; S446-K450 VanDerWaalsContact O-CG 3.23Å; S446-K450 WeakPolarHBondContact O-CG 3.38Å; S446-K450 PolarHBondContact O-N 2.84Å; S446-K450 WeakPolarHBondContact OG-CE 3.39Å
447	N	65.5	Low	60.2	Low	103 Å²	103	83.5 Å²	83.5	55%	0.551	43%	0.434	S	S	*	.	H	α-helix	trans	-76	-37.5	-178.2	-62.4	-35.5	0	0	0	112.1	D445 F449 K450 A451	D445-N447 PolarHBondContact O-N 3.41Å; D445-N447 VanDerWaalsContact O-N 3.16Å; D445-N447 WeakPolarHBondContact OD1-CA 3.29Å; D445-N447 WeakPolarHBondContact OD1-CB 3.44Å; D445-N447 PolarHBondContact OD1-N 3.1Å; N447-F449 VanDerWaalsContact C-N 3.34Å; N447-K450 PolarHBondContact O-N 2.95Å; N447-K450 PolarHBondContact OD1-NZ 3.15Å; N447-A451 WeakPolarHBondContact O-CB 3.45Å; N447-A451 PolarHBondContact O-N 3.2Å
448	H	73.9	Confident	62.1	Low	107 Å²	107	82.3 Å²	82.3	50%	0.495	42%	0.421	S	S	.	.	H	α-helix	trans	-60.1	-44.2	168.8	-177.7	58.4	0	0	0	111.5	D445 A451 Q452	D445-H448 HydrophobicContact CB-CB 3.99Å; D445-H448 PolarHBondContact O-N 3.42Å; D445-H448 PolarHBondContact OD1-N 3.18Å; D445-H448 WeakPolarHBondContact OD2-CB 3.41Å; H448-A451 PolarHBondContact O-N 3.22Å; H448-Q452 WeakPolarHBondContact O-CB 3.25Å; H448-Q452 PolarHBondContact O-N 3.42Å
449	F	67.3	Low	63.8	Low	67 Å²	67	79.3 Å²	79.3	29%	0.294	40%	0.404	S	S	.	.	H	α-helix	trans	-67.5	-40.3	176.9	-72.6	-69.5	0	0	0	113.1	F389 Y444 D445 S446 N447 A451 Q452 A453	F389-F449 HydrophobicContact CD2-CB 4.1Å; F389-F449 AromaticContact CD2-CD1 3.99Å; F389-F449 HydrophobicContact CD2-CD1 3.99Å; F389-F449 HydrophobicContact CE2-CB 4.28Å; F389-F449 AromaticContact CE2-CD1 3.88Å; F389-F449 HydrophobicContact CE2-CD1 3.88Å; F389-F449 VanDerWaalsContact CE2-O 3.31Å; F389-F449 WeakPolarHBondContact CE2-O 3.45Å; F389-F449 HydrophobicContact CG-CD1 4.46Å; F389-F449 HydrophobicContact CZ-CD1 4.24Å; Y444-F449 AromaticContact CD2-CD2 3.88Å; Y444-F449 HydrophobicContact CD2-CD2 3.88Å; Y444-F449 AromaticContact CD2-CE2 3.66Å; Y444-F449 HydrophobicContact CD2-CE2 3.66Å; Y444-F449 AromaticContact CE2-CD2 3.39Å; Y444-F449 HydrophobicContact CE2-CD2 3.39Å; Y444-F449 AromaticContact CE2-CE2 3.51Å; Y444-F449 HydrophobicContact CE2-CE2 3.51Å; Y444-F449 HydrophobicContact CE2-CG 4.19Å; Y444-F449 HydrophobicContact CE2-CZ 4.36Å; Y444-F449 AromaticContact CZ-CD2 3.98Å; D445-F449 WeakPolarHBondContact O-CD2 3.41Å; D445-F449 PolarHBondContact O-N 2.65Å; D445-F449 VanDerWaalsContact O-N 3.14Å; S446-F449 PolarHBondContact O-N 2.85Å; N447-F449 VanDerWaalsContact C-N 3.34Å; F449-A451 PolarHBondContact O-N 3.12Å; F449-Q452 PolarHBondContact O-N 3.28Å; F449-A453 VanDerWaalsContact O-CB 3.29Å; F449-A453 WeakPolarHBondContact O-CB 3.31Å; F449-A453 PolarHBondContact O-N 3.46Å
450	K	72.1	Confident	65.4	Low	28 Å²	28	74.2 Å²	74.2	12%	0.122	38%	0.381	C	S	.	.	H	α-helix	trans	-56.3	-49	171.3	-75.5	166.7	-172.3	170.6	0	111.6	L417 L420 E421 S446 N447 A453 L454	L417-K450 HydrophobicContact CB-CG 4.43Å; L417-K450 HydrophobicContact CD2-CB 4.04Å; L417-K450 HydrophobicContact CD2-CG 4.1Å; L417-K450 WeakPolarHBondContact O-CE 3.15Å; L420-K450 HydrophobicContact CB-CG 4.15Å; L420-K450 HydrophobicContact CD1-CB 4.46Å; L420-K450 HydrophobicContact CD1-CG 3.81Å; E421-K450 IonicContact OE1-NZ 3.05Å; E421-K450 PolarHBondContact OE1-NZ 3.17Å; S446-K450 WeakPolarHBondContact O-CB 3.07Å; S446-K450 VanDerWaalsContact O-CG 3.23Å; S446-K450 WeakPolarHBondContact O-CG 3.38Å; S446-K450 PolarHBondContact O-N 2.84Å; S446-K450 WeakPolarHBondContact OG-CE 3.39Å; N447-K450 PolarHBondContact O-N 2.95Å; N447-K450 PolarHBondContact OD1-NZ 3.15Å; K450-A453 PolarHBondContact O-N 3.06Å; K450-L454 WeakPolarHBondContact O-CG 3.28Å; K450-L454 PolarHBondContact O-N 2.9Å; K450-L454 VanDerWaalsContact O-N 3.09Å
451	A	73.4	Confident	66.9	Low	56 Å²	56	72.1 Å²	72.1	46%	0.463	36%	0.361	S	S	.	.	H	α-helix	trans	-64.4	-42.3	179.7	0	0	0	0	0	112.5	N447 H448 F449 A453 K455	N447-A451 WeakPolarHBondContact O-CB 3.45Å; N447-A451 PolarHBondContact O-N 3.2Å; H448-A451 PolarHBondContact O-N 3.22Å; F449-A451 PolarHBondContact O-N 3.12Å; A451-A453 VanDerWaalsContact C-N 3.35Å; A451-K455 VanDerWaalsContact O-CB 3.31Å; A451-K455 WeakPolarHBondContact O-CB 3.48Å; A451-K455 PolarHBondContact O-N 3.23Å
452	Q	74.3	Confident	68.2	Low	64 Å²	64	68 Å²	68	30%	0.299	34%	0.342	S	S	.	.	H	α-helix	trans	-69.6	-31.7	177.4	-169.9	62.3	45.9	0	0	112.2	F389 H448 F449 N456	F389-Q452 HydrophobicContact CE2-CB 4.19Å; F389-Q452 HydrophobicContact CE2-CG 4.44Å; F389-Q452 HydrophobicContact CZ-CB 4.26Å; F389-Q452 HydrophobicContact CZ-CG 4.02Å; H448-Q452 WeakPolarHBondContact O-CB 3.25Å; H448-Q452 PolarHBondContact O-N 3.42Å; F449-Q452 PolarHBondContact O-N 3.28Å; Q452-N456 PolarHBondContact NE2-OD1 3.24Å; Q452-N456 VanDerWaalsContact O-CB 3.29Å; Q452-N456 WeakPolarHBondContact O-CB 3.47Å; Q452-N456 PolarHBondContact O-N 2.9Å
453	A	70.4	Confident	69.6	Low	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-65.9	-49.2	174.6	0	0	0	0	0	111.8	F389 Q393 L396 F449 K450 A451 N456 A457	F389-A453 HydrophobicContact CD2-CB 3.99Å; F389-A453 HydrophobicContact CE2-CB 3.9Å; Q393-A453 HydrophobicContact CG-CB 3.75Å; L396-A453 HydrophobicContact CD1-CB 4.17Å; F449-A453 VanDerWaalsContact O-CB 3.29Å; F449-A453 WeakPolarHBondContact O-CB 3.31Å; F449-A453 PolarHBondContact O-N 3.46Å; K450-A453 PolarHBondContact O-N 3.06Å; A451-A453 VanDerWaalsContact C-N 3.35Å; A453-N456 PolarHBondContact O-N 2.81Å; A453-A457 PolarHBondContact O-N 3.01Å
454	L	72.7	Confident	70.6	Confident	35 Å²	35	61.7 Å²	61.7	18%	0.183	31%	0.309	C	S	.	.	H	α-helix	trans	-55.8	-54.1	173.8	-72.9	162.7	0	0	0	111.1	L396 F400 L417 K450 N456 A457 E458	L396-L454 HydrophobicContact CD1-CD2 3.89Å; L396-L454 HydrophobicContact CD1-CG 4.11Å; L396-L454 HydrophobicContact CD2-CD2 3.84Å; L396-L454 HydrophobicContact CG-CD2 4.42Å; F400-L454 HydrophobicContact CE2-CD2 4.19Å; F400-L454 HydrophobicContact CZ-CD2 3.77Å; L417-L454 HydrophobicContact CD1-CD1 4.02Å; L417-L454 HydrophobicContact CD1-CD2 4.35Å; L417-L454 HydrophobicContact CD1-CG 4.5Å; L417-L454 HydrophobicContact CD2-CD1 4.1Å; L417-L454 HydrophobicContact CD2-CD2 4.37Å; L417-L454 HydrophobicContact CD2-CG 4.03Å; K450-L454 WeakPolarHBondContact O-CG 3.28Å; K450-L454 PolarHBondContact O-N 2.9Å; K450-L454 VanDerWaalsContact O-N 3.09Å; L454-N456 VanDerWaalsContact C-N 3.29Å; L454-N456 PolarHBondContact O-N 3.11Å; L454-A457 PolarHBondContact O-N 3.38Å; L454-A457 VanDerWaalsContact O-N 3.09Å; L454-E458 WeakPolarHBondContact O-CG 3.17Å; L454-E458 PolarHBondContact O-N 3.16Å
455	K	76.3	Confident	71.2	Confident	121 Å²	121	61.5 Å²	61.5	53%	0.526	31%	0.31	S	S	.	.	H	α-helix	trans	-60.2	-35.3	-178.5	-171.9	172.9	-176.9	175.6	0	112.9	A451 N459	A451-K455 VanDerWaalsContact O-CB 3.31Å; A451-K455 WeakPolarHBondContact O-CB 3.48Å; A451-K455 PolarHBondContact O-N 3.23Å; K455-N459 VanDerWaalsContact O-CB 3.26Å; K455-N459 WeakPolarHBondContact O-CB 3.3Å; K455-N459 PolarHBondContact O-N 2.86Å; K455-N459 PolarHBondContact O-ND2 2.74Å
456	N	73.3	Confident	71.6	Confident	56 Å²	56	60.3 Å²	60.3	30%	0.299	31%	0.312	S	S	.	.	H	α-helix	trans	-69.7	-43.3	174.3	-77.7	-5.7	0	0	0	112.1	Q393 Q452 A453 L454 N459 A460	Q393-N456 HydrophobicContact CG-CB 4.37Å; Q393-N456 PolarHBondContact NE2-ND2 2.94Å; Q452-N456 PolarHBondContact NE2-OD1 3.24Å; Q452-N456 VanDerWaalsContact O-CB 3.29Å; Q452-N456 WeakPolarHBondContact O-CB 3.47Å; Q452-N456 PolarHBondContact O-N 2.9Å; A453-N456 PolarHBondContact O-N 2.81Å; L454-N456 VanDerWaalsContact C-N 3.29Å; L454-N456 PolarHBondContact O-N 3.11Å; N456-N459 PolarHBondContact O-N 2.67Å; N456-A460 WeakPolarHBondContact O-CB 3.48Å; N456-A460 PolarHBondContact O-N 3.41Å
457	A	70.8	Confident	72.1	Confident	3 Å²	3	67.4 Å²	67.4	3%	0.025	34%	0.336	C	S	.	.	H	α-helix	trans	-65.2	-43.1	178	0	0	0	0	0	112.1	L396 F400 A453 L454 A460 Y461	L396-A457 HydrophobicContact CB-CB 4.2Å; F400-A457 HydrophobicContact CD2-CB 4.08Å; F400-A457 HydrophobicContact CE2-CB 4.03Å; A453-A457 PolarHBondContact O-N 3.01Å; L454-A457 PolarHBondContact O-N 3.38Å; L454-A457 VanDerWaalsContact O-N 3.09Å; A457-A460 PolarHBondContact O-N 3.22Å; A457-Y461 WeakPolarHBondContact O-CB 3.37Å; A457-Y461 PolarHBondContact O-N 3.24Å
458	E	72.7	Confident	72.4	Confident	86 Å²	86	63.7 Å²	63.7	40%	0.402	32%	0.317	S	S	.	.	H	α-helix	trans	-62.3	-46.5	173.8	-70.8	177.9	158.2	0	0	111.7	F400 L454 A460 Y461 H462	F400-E458 HydrophobicContact CE2-CG 3.88Å; F400-E458 HydrophobicContact CZ-CG 4Å; L454-E458 WeakPolarHBondContact O-CG 3.17Å; L454-E458 PolarHBondContact O-N 3.16Å; E458-A460 PolarHBondContact O-N 2.97Å; E458-Y461 PolarHBondContact O-N 3.47Å; E458-H462 WeakPolarHBondContact O-CB 3.22Å; E458-H462 PolarHBondContact O-CD2 2.59Å; E458-H462 PolarHBondContact O-N 3.36Å
459	N	75.4	Confident	72.4	Confident	80 Å²	80	65.8 Å²	65.8	43%	0.428	32%	0.32	S	S	.	.	H	α-helix	trans	-60	-43.8	175.4	-80.5	-39.1	0	0	0	112.1	K455 N456 Y461 H462 I463	K455-N459 VanDerWaalsContact O-CB 3.26Å; K455-N459 WeakPolarHBondContact O-CB 3.3Å; K455-N459 PolarHBondContact O-N 2.86Å; K455-N459 PolarHBondContact O-ND2 2.74Å; N456-N459 PolarHBondContact O-N 2.67Å; N459-Y461 VanDerWaalsContact C-N 3.33Å; N459-Y461 PolarHBondContact O-N 3.05Å; N459-H462 PolarHBondContact O-N 2.56Å; N459-I463 WeakPolarHBondContact O-CB 3.46Å; N459-I463 WeakPolarHBondContact O-CD1 3.28Å; N459-I463 WeakPolarHBondContact O-CG1 3.46Å; N459-I463 PolarHBondContact O-N 3.37Å
460	A	69.3	Low	72.8	Confident	18 Å²	18	65.6 Å²	65.6	15%	0.149	33%	0.327	C	S	.	.	H	α-helix	trans	-61.1	-42.6	176.2	0	0	0	0	0	111.6	Y397 N456 A457 E458 I463 H464 L704	Y397-A460 HydrophobicContact CD2-CB 4.09Å; Y397-A460 HydrophobicContact CE2-CB 4.02Å; N456-A460 WeakPolarHBondContact O-CB 3.48Å; N456-A460 PolarHBondContact O-N 3.41Å; A457-A460 PolarHBondContact O-N 3.22Å; E458-A460 PolarHBondContact O-N 2.97Å; A460-I463 PolarHBondContact O-N 2.95Å; A460-H464 WeakPolarHBondContact O-CB 3.35Å; A460-H464 PolarHBondContact O-N 3.04Å; A460-L704 HydrophobicContact CB-CD2 4.18Å
461	Y	71	Confident	73.1	Confident	71 Å²	71	65.5 Å²	65.5	28%	0.278	33%	0.327	S	S	.	.	H	α-helix	trans	-64.8	-44.1	176.8	177.2	-102.1	0	0	0	112.1	M401 A457 E458 N459 H464 Q465	M401-Y461 HydrophobicContact CE-CD2 4.02Å; M401-Y461 HydrophobicContact CE-CE2 3.85Å; A457-Y461 WeakPolarHBondContact O-CB 3.37Å; A457-Y461 PolarHBondContact O-N 3.24Å; E458-Y461 PolarHBondContact O-N 3.47Å; N459-Y461 VanDerWaalsContact C-N 3.33Å; N459-Y461 PolarHBondContact O-N 3.05Å; Y461-H464 PolarHBondContact O-N 2.86Å; Y461-Q465 WeakPolarHBondContact O-CB 3.36Å; Y461-Q465 PolarHBondContact O-N 3.16Å; Y461-Q465 PolarHBondContact OH-NE2 3.22Å
462	H	73.1	Confident	73	Confident	103 Å²	103	64.3 Å²	64.3	48%	0.477	31%	0.313	S	S	.	.	H	α-helix	trans	-67	-39.9	176.4	-72.6	-54.1	0	0	0	112.8	E458 N459 H464 Q465 A466	E458-H462 WeakPolarHBondContact O-CB 3.22Å; E458-H462 PolarHBondContact O-CD2 2.59Å; E458-H462 PolarHBondContact O-N 3.36Å; N459-H462 PolarHBondContact O-N 2.56Å; H462-H464 VanDerWaalsContact C-N 3.34Å; H462-Q465 PolarHBondContact O-N 2.92Å; H462-A466 WeakPolarHBondContact O-CB 3.45Å; H462-A466 PolarHBondContact O-N 2.91Å
463	I	74.1	Confident	73	Confident	107 Å²	107	66.2 Å²	66.2	55%	0.549	32%	0.322	S	S	.	.	H	α-helix	trans	-62	-43.2	173.6	-71.6	164.2	0	0	0	110.5	N459 A460 R467	N459-I463 WeakPolarHBondContact O-CB 3.46Å; N459-I463 WeakPolarHBondContact O-CD1 3.28Å; N459-I463 WeakPolarHBondContact O-CG1 3.46Å; N459-I463 PolarHBondContact O-N 3.37Å; A460-I463 PolarHBondContact O-N 2.95Å; I463-R467 WeakPolarHBondContact O-CB 3.42Å; I463-R467 PolarHBondContact O-N 2.8Å
464	H	69.9	Low	72.9	Confident	31 Å²	31	69.1 Å²	69.1	14%	0.144	34%	0.337	C	S	.	.	H	α-helix	trans	-61.5	-52.7	175.7	-170.3	-100	0	0	0	111.2	A460 Y461 H462 A466 R467 T468 G538	A460-H464 WeakPolarHBondContact O-CB 3.35Å; A460-H464 PolarHBondContact O-N 3.04Å; Y461-H464 PolarHBondContact O-N 2.86Å; H462-H464 VanDerWaalsContact C-N 3.34Å; H464-A466 PolarHBondContact O-N 3.3Å; H464-R467 WeakPolarHBondContact O-CB 3.44Å; H464-R467 PolarHBondContact O-N 2.76Å; H464-R467 VanDerWaalsContact O-N 3.15Å; H464-T468 PolarHBondContact O-N 3.44Å; H464-T468 PolarHBondContact O-OG1 3.25Å; H464-G538 PolarHBondContact CE1-O 2.87Å; H464-G538 VanDerWaalsContact CE1-O 3.26Å
465	Q	71.8	Confident	72.6	Confident	53 Å²	53	67.6 Å²	67.6	25%	0.248	33%	0.329	C	S	.	.	H	α-helix	trans	-61.2	-40	179.4	-172.5	-179.5	90.9	0	0	112.7	Y461 H462 R467 T468 R469	Y461-Q465 WeakPolarHBondContact O-CB 3.36Å; Y461-Q465 PolarHBondContact O-N 3.16Å; Y461-Q465 PolarHBondContact OH-NE2 3.22Å; H462-Q465 PolarHBondContact O-N 2.92Å; Q465-R467 VanDerWaalsContact C-N 3.35Å; Q465-T468 PolarHBondContact O-N 3.44Å; Q465-R469 WeakPolarHBondContact O-CG 3.46Å; Q465-R469 PolarHBondContact O-N 3.33Å
466	A	73.4	Confident	72.3	Confident	58 Å²	58	65.4 Å²	65.4	48%	0.479	32%	0.32	S	S	.	.	H	α-helix	trans	-65.7	-36.8	176.2	0	0	0	0	0	112.2	H462 H464 R469 S470	H462-A466 WeakPolarHBondContact O-CB 3.45Å; H462-A466 PolarHBondContact O-N 2.91Å; H464-A466 PolarHBondContact O-N 3.3Å; A466-R469 PolarHBondContact O-N 2.66Å; A466-S470 PolarHBondContact O-N 2.69Å; A466-S470 PolarHBondContact O-OG 3.15Å
467	R	73.7	Confident	72	Confident	169 Å²	169	69.5 Å²	69.5	64%	0.638	34%	0.337	S	S	*	.	H	α-helix	trans	-68.9	-36.3	175.2	-163.2	-178	-155.5	165.6	8.8	112.5	I463 H464 Q465 S470 F471	I463-R467 WeakPolarHBondContact O-CB 3.42Å; I463-R467 PolarHBondContact O-N 2.8Å; H464-R467 WeakPolarHBondContact O-CB 3.44Å; H464-R467 PolarHBondContact O-N 2.76Å; H464-R467 VanDerWaalsContact O-N 3.15Å; Q465-R467 VanDerWaalsContact C-N 3.35Å; R467-S470 PolarHBondContact O-OG 2.71Å; R467-F471 PolarHBondContact O-N 2.75Å
468	T	71.6	Confident	71.8	Confident	25 Å²	25	71.1 Å²	71.1	15%	0.153	35%	0.348	C	S	.	.	H	α-helix	trans	-66.2	-47.1	173.2	-58.9	0	0	0	0	110.8	H464 Q465 F471 D472 R676	H464-T468 PolarHBondContact O-N 3.44Å; H464-T468 PolarHBondContact O-OG1 3.25Å; Q465-T468 PolarHBondContact O-N 3.44Å; T468-F471 PolarHBondContact O-N 2.81Å; T468-D472 PolarHBondContact O-N 3.18Å; T468-D472 VanDerWaalsContact O-N 3.07Å; T468-R676 VanDerWaalsContact CG2-NH1 3.27Å; T468-R676 PolarHBondContact O-NH1 3.38Å; T468-R676 VanDerWaalsContact O-NH1 3.12Å
469	R	74.6	Confident	71.5	Confident	151 Å²	151	69.9 Å²	69.9	57%	0.57	34%	0.34	S	S	*	.	H	α-helix	trans	-62.7	-44.1	177.5	-74.2	178.6	-178.5	166.6	4.8	113.3	Q465 A466 F471 D472 E473	Q465-R469 WeakPolarHBondContact O-CG 3.46Å; Q465-R469 PolarHBondContact O-N 3.33Å; A466-R469 PolarHBondContact O-N 2.66Å; R469-F471 VanDerWaalsContact C-N 3.29Å; R469-F471 PolarHBondContact O-N 2.84Å; R469-D472 WeakPolarHBondContact O-CB 3.4Å; R469-D472 PolarHBondContact O-N 2.71Å; R469-D472 VanDerWaalsContact O-N 3.11Å; R469-E473 PolarHBondContact O-N 3.28Å
470	S	75.9	Confident	70.9	Confident	63 Å²	63	67.9 Å²	67.9	44%	0.441	34%	0.335	S	S	.	.	H	α-helix	trans	-65.9	-32.7	178.3	58.2	0	0	0	0	112.5	A466 R467 D474	A466-S470 PolarHBondContact O-N 2.69Å; A466-S470 PolarHBondContact O-OG 3.15Å; R467-S470 PolarHBondContact O-OG 2.71Å; S470-D474 VanDerWaalsContact O-CB 3.28Å; S470-D474 WeakPolarHBondContact O-CB 3.38Å; S470-D474 VanDerWaalsContact O-CG 3.27Å; S470-D474 PolarHBondContact O-N 2.73Å
471	F	76.6	Confident	70.6	Confident	25 Å²	25	69.6 Å²	69.6	11%	0.11	35%	0.349	C	S	.	.	H	α-helix	trans	-68.7	-32.6	171.8	-156.7	-78.8	0	0	0	112.6	R467 T468 R469 A475 K647 W648 R676	R467-F471 PolarHBondContact O-N 2.75Å; T468-F471 PolarHBondContact O-N 2.81Å; R469-F471 VanDerWaalsContact C-N 3.29Å; R469-F471 PolarHBondContact O-N 2.84Å; F471-A475 WeakPolarHBondContact O-CB 3.48Å; F471-A475 PolarHBondContact O-N 3.19Å; F471-K647 HydrophobicContact CE2-CB 4.18Å; F471-K647 HydrophobicContact CE2-CD 4.33Å; F471-K647 HydrophobicContact CE2-CG 4.37Å; F471-K647 HydrophobicContact CZ-CB 3.83Å; F471-W648 WeakPolarHBondContact CZ-O 3.42Å; F471-R676 HydrophobicContact CD1-CB 3.76Å; F471-R676 HydrophobicContact CD1-CG 4.23Å; F471-R676 HydrophobicContact CE1-CB 3.75Å; F471-R676 HydrophobicContact CG-CB 4.3Å; F471-R676 HydrophobicContact CZ-CB 4.28Å
472	D	72.1	Confident	70	Confident	32 Å²	32	66.3 Å²	66.3	17%	0.171	34%	0.337	C	S	.	.	H	α-helix	trans	-68.6	-44.7	173.3	-77.1	-43.8	0	0	0	112.6	T468 R469 A475 K476 R676	T468-D472 PolarHBondContact O-N 3.18Å; T468-D472 VanDerWaalsContact O-N 3.07Å; R469-D472 WeakPolarHBondContact O-CB 3.4Å; R469-D472 PolarHBondContact O-N 2.71Å; R469-D472 VanDerWaalsContact O-N 3.11Å; D472-A475 CarbonylContact O-C 3.43Å; D472-A475 PolarHBondContact O-N 3.28Å; D472-K476 WeakPolarHBondContact O-CG 3.36Å; D472-K476 PolarHBondContact O-N 3.46Å; D472-R676 IonicContact OD1-CZ 3.21Å; D472-R676 IonicContact OD1-NH1 2.86Å; D472-R676 PolarHBondContact OD1-NH1 2.72Å; D472-R676 IonicContact OD1-NH2 3.18Å; D472-R676 PolarHBondContact OD1-NH2 3.09Å; D472-R676 IonicContact OD2-CZ 2.9Å; D472-R676 IonicContact OD2-NH1 2.66Å; D472-R676 PolarHBondContact OD2-NH1 2.74Å; D472-R676 IonicContact OD2-NH2 2.73Å; D472-R676 PolarHBondContact OD2-NH2 2.79Å
473	E	74.1	Confident	69.3	Low	104 Å²	104	66 Å²	66	49%	0.486	34%	0.338	S	S	.	.	H	α-helix	trans	-67.5	-44	177.1	-60.5	-47.7	134.1	0	0	111.6	R469 A475 K476 E477	R469-E473 PolarHBondContact O-N 3.28Å; E473-A475 PolarHBondContact O-N 2.61Å; E473-K476 PolarHBondContact O-N 3.25Å; E473-K476 VanDerWaalsContact O-N 3.13Å; E473-K476 IonicContact OE1-NZ 2.66Å; E473-K476 PolarHBondContact OE1-NZ 2.88Å; E473-K476 VanDerWaalsContact OE2-CD 3.25Å; E473-K476 WeakPolarHBondContact OE2-CD 3.36Å; E473-K476 IonicContact OE2-NZ 3.52Å; E473-E477 PolarHBondContact O-N 2.81Å
474	D	69.7	Low	68.7	Low	61 Å²	61	71.2 Å²	71.2	33%	0.326	35%	0.351	S	S	.	.	H	α-helix	trans	-51.5	-40.2	169.5	-84.9	-5.4	0	0	0	111.8	S470 S478 K647	S470-D474 VanDerWaalsContact O-CB 3.28Å; S470-D474 WeakPolarHBondContact O-CB 3.38Å; S470-D474 VanDerWaalsContact O-CG 3.27Å; S470-D474 PolarHBondContact O-N 2.73Å; D474-S478 VanDerWaalsContact O-CB 3.24Å; D474-S478 WeakPolarHBondContact O-CB 3.5Å; D474-S478 PolarHBondContact O-N 2.68Å; D474-S478 PolarHBondContact O-OG 3.2Å; D474-K647 IonicContact OD2-NZ 3.19Å; D474-K647 PolarHBondContact OD2-NZ 3.44Å
475	A	65.8	Low	68	Low	2 Å²	2	72.8 Å²	72.8	2%	0.017	37%	0.369	C	S	.	.	H	α-helix	trans	-79.5	-30.7	-179.1	0	0	0	0	0	113.3	F471 D472 E473 R479 Q649	F471-A475 WeakPolarHBondContact O-CB 3.48Å; F471-A475 PolarHBondContact O-N 3.19Å; D472-A475 CarbonylContact O-C 3.43Å; D472-A475 PolarHBondContact O-N 3.28Å; E473-A475 PolarHBondContact O-N 2.61Å; A475-R479 WeakPolarHBondContact O-CB 3.29Å; A475-R479 WeakPolarHBondContact O-CG 3.48Å; A475-R479 PolarHBondContact O-N 2.66Å; A475-Q649 VanDerWaalsContact CB-NE2 3.27Å
476	K	68.9	Low	67.1	Low	75 Å²	75	73.9 Å²	73.9	33%	0.326	39%	0.387	S	S	.	.	H	α-helix	trans	-68	-46.8	169.8	-74.6	166.2	-179.9	176.9	0	110.6	D472 E473 S478 R479 A480	D472-K476 WeakPolarHBondContact O-CG 3.36Å; D472-K476 PolarHBondContact O-N 3.46Å; E473-K476 PolarHBondContact O-N 3.25Å; E473-K476 VanDerWaalsContact O-N 3.13Å; E473-K476 IonicContact OE1-NZ 2.66Å; E473-K476 PolarHBondContact OE1-NZ 2.88Å; E473-K476 VanDerWaalsContact OE2-CD 3.25Å; E473-K476 WeakPolarHBondContact OE2-CD 3.36Å; E473-K476 IonicContact OE2-NZ 3.52Å; K476-S478 VanDerWaalsContact C-N 3.33Å; K476-S478 PolarHBondContact O-N 3.25Å; K476-R479 PolarHBondContact O-N 2.89Å; K476-R479 VanDerWaalsContact O-N 3.15Å; K476-A480 WeakPolarHBondContact O-CB 3.23Å; K476-A480 PolarHBondContact O-N 3.27Å
477	E	68.2	Low	65.6	Low	143 Å²	143	76.4 Å²	76.4	67%	0.668	39%	0.392	S	S	*	.	H	α-helix	trans	-61.1	-43.9	174.8	-171	-177.4	-154.1	0	0	110.7	E473 R479 A480 A481	E473-E477 PolarHBondContact O-N 2.81Å; E477-R479 VanDerWaalsContact C-N 3.32Å; E477-R479 PolarHBondContact O-N 3.26Å; E477-A480 PolarHBondContact O-N 3.47Å; E477-A481 VanDerWaalsContact O-CB 3.29Å; E477-A481 WeakPolarHBondContact O-CB 2.98Å; E477-A481 PolarHBondContact O-N 3.06Å
478	S	66.1	Low	64.3	Low	37 Å²	37	78.2 Å²	78.2	26%	0.259	41%	0.405	S	S	.	.	H	α-helix	trans	-62.4	-35.1	174.7	-61.5	0	0	0	0	113.2	D474 K476 A482 Y620	D474-S478 VanDerWaalsContact O-CB 3.24Å; D474-S478 WeakPolarHBondContact O-CB 3.5Å; D474-S478 PolarHBondContact O-N 2.68Å; D474-S478 PolarHBondContact O-OG 3.2Å; K476-S478 VanDerWaalsContact C-N 3.33Å; K476-S478 PolarHBondContact O-N 3.25Å; S478-A482 WeakPolarHBondContact O-CB 3.21Å; S478-A482 PolarHBondContact O-N 3.39Å; S478-A482 VanDerWaalsContact O-N 3.09Å; S478-Y620 VanDerWaalsContact CB-CE2 3.49Å
479	R	65.6	Low	62.8	Low	59 Å²	59	82.5 Å²	82.5	22%	0.223	44%	0.436	C	S	.	.	H	α-helix	trans	-68.3	-46.9	172.3	-81.9	-174.9	-76.2	-174.5	0.2	111.6	A475 K476 E477 A481 A482 L483 N567	A475-R479 WeakPolarHBondContact O-CB 3.29Å; A475-R479 WeakPolarHBondContact O-CG 3.48Å; A475-R479 PolarHBondContact O-N 2.66Å; K476-R479 PolarHBondContact O-N 2.89Å; K476-R479 VanDerWaalsContact O-N 3.15Å; E477-R479 VanDerWaalsContact C-N 3.32Å; E477-R479 PolarHBondContact O-N 3.26Å; R479-A481 VanDerWaalsContact C-N 3.34Å; R479-A481 PolarHBondContact O-N 2.94Å; R479-A482 WeakPolarHBondContact O-CB 3.48Å; R479-A482 PolarHBondContact O-N 3.42Å; R479-A482 VanDerWaalsContact O-N 3.14Å; R479-L483 WeakPolarHBondContact O-CG 3.22Å; R479-L483 PolarHBondContact O-N 2.59Å; R479-N567 PolarHBondContact NH1-O 2.81Å
480	A	64	Low	60.8	Low	39 Å²	39	78.9 Å²	78.9	32%	0.322	45%	0.446	S	S	.	.	H	α-helix	trans	-62.2	-40	177.4	0	0	0	0	0	112.2	K476 E477 A482 L483 R484	K476-A480 WeakPolarHBondContact O-CB 3.23Å; K476-A480 PolarHBondContact O-N 3.27Å; E477-A480 PolarHBondContact O-N 3.47Å; A480-A482 VanDerWaalsContact C-N 3.33Å; A480-L483 PolarHBondContact O-N 2.71Å; A480-R484 WeakPolarHBondContact O-CB 3.49Å; A480-R484 VanDerWaalsContact O-CG 3.29Å; A480-R484 WeakPolarHBondContact O-CG 3.4Å; A480-R484 PolarHBondContact O-N 3.27Å
481	A	62.2	Low	58.8	Low	53 Å²	53	81.7 Å²	81.7	44%	0.438	47%	0.466	S	S	.	.	H	α-helix	trans	-67.8	-30.4	174.4	0	0	0	0	0	113	E477 R479 A485	E477-A481 VanDerWaalsContact O-CB 3.29Å; E477-A481 WeakPolarHBondContact O-CB 2.98Å; E477-A481 PolarHBondContact O-N 3.06Å; R479-A481 VanDerWaalsContact C-N 3.34Å; R479-A481 PolarHBondContact O-N 2.94Å; A481-A485 WeakPolarHBondContact O-CB 3.46Å; A481-A485 PolarHBondContact O-N 3.01Å
482	A	59.3	Low	56.9	Low	3 Å²	3	84.2 Å²	84.2	3%	0.025	50%	0.498	C	S	.	.	H	α-helix	trans	-73.4	-42.7	173.9	0	0	0	0	0	112.1	S478 R479 A480 A485 A486 K617 T621	S478-A482 WeakPolarHBondContact O-CB 3.21Å; S478-A482 PolarHBondContact O-N 3.39Å; S478-A482 VanDerWaalsContact O-N 3.09Å; R479-A482 WeakPolarHBondContact O-CB 3.48Å; R479-A482 PolarHBondContact O-N 3.42Å; R479-A482 VanDerWaalsContact O-N 3.14Å; A480-A482 VanDerWaalsContact C-N 3.33Å; A482-A485 CarbonylContact O-C 3.6Å; A482-A485 PolarHBondContact O-N 3.35Å; A482-A485 VanDerWaalsContact O-N 3.07Å; A482-A486 PolarHBondContact O-N 3.15Å; A482-A486 VanDerWaalsContact O-N 3.08Å; A482-K617 WeakPolarHBondContact CA-O 3.16Å; A482-K617 WeakPolarHBondContact CB-O 3.45Å; A482-T621 HydrophobicContact CB-CG2 3.78Å
483	L	57.8	Low	54.9	Low	97 Å²	97	93.4 Å²	93.4	51%	0.508	54%	0.537	S	S	.	.	H	α-helix	trans	-60.9	-49.1	174.9	-69.8	165.6	0	0	0	111	R479 A480 A485 A486 D487 T621	R479-L483 WeakPolarHBondContact O-CG 3.22Å; R479-L483 PolarHBondContact O-N 2.59Å; A480-L483 PolarHBondContact O-N 2.71Å; L483-A485 PolarHBondContact O-N 3.09Å; L483-A486 PolarHBondContact O-N 3.22Å; L483-D487 PolarHBondContact O-N 3.34Å; L483-T621 HydrophobicContact CD2-CG2 4.47Å
484	R	61.8	Low	53	Low	215 Å²	215	91.9 Å²	91.9	81%	0.811	55%	0.549	S	S	*	.	H	α-helix	trans	-59.3	-12	172.2	-71.1	175.8	-176.7	172.1	2.5	114.8	A480	A480-R484 WeakPolarHBondContact O-CB 3.49Å; A480-R484 VanDerWaalsContact O-CG 3.29Å; A480-R484 WeakPolarHBondContact O-CG 3.4Å; A480-R484 PolarHBondContact O-N 3.27Å
485	A	55.9	Low	51.4	Low	64 Å²	64	98.4 Å²	98.4	53%	0.529	58%	0.578	S	S	.	*	H	α-helix	trans	-104.5	-10.7	175.4	0	0	0	0	0	113.4	A481 A482 L483	A481-A485 WeakPolarHBondContact O-CB 3.46Å; A481-A485 PolarHBondContact O-N 3.01Å; A482-A485 CarbonylContact O-C 3.6Å; A482-A485 PolarHBondContact O-N 3.35Å; A482-A485 VanDerWaalsContact O-N 3.07Å; L483-A485 PolarHBondContact O-N 3.09Å
486	A	51.8	Low	49.8	Very low	76 Å²	76	103.3 Å²	103.3	63%	0.628	61%	0.612	S	S	*	*	H	α-helix	trans	-94.1	-41.3	175.1	0	0	0	0	0	111.6	A482 L483 K488	A482-A486 PolarHBondContact O-N 3.15Å; A482-A486 VanDerWaalsContact O-N 3.08Å; L483-A486 PolarHBondContact O-N 3.22Å; A486-K488 PolarHBondContact O-N 3.38Å
487	D	42.2	Very low	47.9	Very low	111 Å²	111	111.2 Å²	111.2	59%	0.594	64%	0.642	S	S	*	*			trans	-71.1	116.1	-177.7	-78.7	-47.8	0	0	0	112.8	L483	L483-D487 PolarHBondContact O-N 3.34Å
488	K	45.8	Very low	46.1	Very low	208 Å²	208	109.5 Å²	109.5	90%	0.904	65%	0.645	S	S	*	*	S	Bend	trans	-129.5	12.2	166.1	-135.2	-173.7	-177.4	-168.9	0	114.2	A486	A486-K488 PolarHBondContact O-N 3.38Å
489	S	40.6	Very low	44.6	Very low	114 Å²	114	114.8 Å²	114.8	80%	0.797	67%	0.67	S	S	*	*	S	Bend	trans	-169.1	110.2	170.9	53.9	0	0	0	0	111.1
490	G	32	Very low	42.8	Very low	76 Å²	76	115.3 Å²	115.3	78%	0.784	69%	0.686	S	S	*	*			trans	153.3	131.9	174.7	0	0	0	0	0	112.3
491	S	35.2	Very low	41.1	Very low	122 Å²	122	119.7 Å²	119.7	85%	0.853	71%	0.705	S	S	*	*			trans	-124.3	122.7	179.3	59.2	0	0	0	0	111.7
492	G	35.4	Very low	40	Very low	77 Å²	77	122.7 Å²	122.7	79%	0.794	72%	0.719	S	S	*	*			trans	91.2	165.6	157.1	0	0	0	0	0	117.4
493	F	30.9	Very low	38.7	Very low	226 Å²	226	125.9 Å²	125.9	99%	0.991	74%	0.742	S	S	*	*			trans	69.7	106	176.7	-136.1	-97.4	0	0	0	116.4
494	G	33.3	Very low	37.8	Very low	72 Å²	72	125.9 Å²	125.9	74%	0.742	74%	0.741	S	S	*	*			trans	164.4	-15.4	175.8	0	0	0	0	0	117	S496	G494-S496 PolarHBondContact O-N 3.34Å; G494-S496 VanDerWaalsContact O-N 3.15Å
495	E	37.7	Very low	36.6	Very low	198 Å²	198	124.5 Å²	124.5	93%	0.925	74%	0.736	S	S	*	*			trans	-80.1	92.1	178.5	-68.9	-169.2	139.8	0	0	112.2
496	S	31.7	Very low	35.8	Very low	104 Å²	104	124.5 Å²	124.5	73%	0.727	74%	0.736	S	S	*	*			trans	179.2	74.5	151.4	34.2	0	0	0	0	114.3	G494	G494-S496 PolarHBondContact O-N 3.34Å; G494-S496 VanDerWaalsContact O-N 3.15Å
497	Y	29.3	Very low	35.4	Very low	242 Å²	242	124.2 Å²	124.2	95%	0.949	74%	0.74	S	S	*	*			trans	-135.3	102.3	152.2	-97.2	-78.9	0	0	0	110.4
498	S	30.5	Very low	35.7	Very low	107 Å²	107	125 Å²	125	75%	0.748	74%	0.741	S	S	*	*			trans	-82.6	128.6	-179	-174.6	0	0	0	0	111.1	A500	S498-A500 PolarHBondContact O-N 3.03Å
499	L	33.1	Very low	36.3	Very low	148 Å²	148	120.1 Å²	120.1	78%	0.775	72%	0.724	S	S	*	*			trans	-77.9	48.1	177	-71.7	170.5	0	0	0	112.4
500	A	28.7	Very low	37.7	Very low	69 Å²	69	115.6 Å²	115.6	57%	0.57	69%	0.691	S	S	*	*			trans	-110.2	46.4	-176.9	0	0	0	0	0	112.2	S498	S498-A500 PolarHBondContact O-N 3.03Å
501	N	27.8	Very low	39.7	Very low	132 Å²	132	115.9 Å²	115.9	71%	0.706	68%	0.679	S	S	*	*			trans	-148.7	86.2	175.3	-107.3	-40.3	0	0	0	112.2	S503	N501-S503 WeakPolarHBondContact CB-OG 3.47Å; N501-S503 PolarHBondContact O-N 3.04Å; N501-S503 PolarHBondContact OD1-OG 2.77Å
502	P	38.3	Very low	42	Very low	115 Å²	115	113.2 Å²	113.2	75%	0.747	65%	0.653	S	S	*	*			trans	-82.7	49.7	178.1	35.5	-36.3	0	0	0	112.1	K404	K404-P502 PolarHBondContact NZ-O 3.22Å
503	S	32.8	Very low	44.3	Very low	71 Å²	71	109.7 Å²	109.7	50%	0.497	62%	0.616	S	S	.	*			trans	-137	21.1	-155	49.7	0	0	0	0	115.5	N501 R505	N501-S503 WeakPolarHBondContact CB-OG 3.47Å; N501-S503 PolarHBondContact O-N 3.04Å; N501-S503 PolarHBondContact OD1-OG 2.77Å; S503-R505 PolarHBondContact O-N 3.14Å
504	I	38.5	Very low	46.7	Very low	97 Å²	97	104.5 Å²	104.5	50%	0.497	60%	0.603	S	S	.	*			trans	-64.6	128	160.5	-62.4	-177.7	0	0	0	108.2	A506	I504-A506 PolarHBondContact O-N 3.46Å
505	R	36.8	Very low	49.2	Very low	186 Å²	186	101.6 Å²	101.6	70%	0.702	57%	0.57	S	S	*	*			trans	-77.1	111.2	-175.7	-71	174.6	171	177	-4.3	110.3	S503 G507 E508	S503-R505 PolarHBondContact O-N 3.14Å; R505-G507 VanDerWaalsContact C-N 3.28Å; R505-G507 PolarHBondContact O-N 3.44Å; R505-E508 PolarHBondContact O-N 2.94Å
506	A	40.2	Very low	51.7	Low	63 Å²	63	92.5 Å²	92.5	52%	0.521	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	88.6	168.9	0	0	0	0	0	110	R405 I504	R405-A506 PolarHBondContact NH2-O 3.19Å; I504-A506 PolarHBondContact O-N 3.46Å
507	G	43.3	Very low	54.3	Low	70 Å²	70	92.1 Å²	92.1	72%	0.722	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	164.5	-26.5	-171.9	0	0	0	0	0	113.5	R505	R505-G507 VanDerWaalsContact C-N 3.28Å; R505-G507 PolarHBondContact O-N 3.44Å
508	E	48.7	Very low	57	Low	129 Å²	129	82 Å²	82	60%	0.603	49%	0.486	S	S	*	.	S	Bend	trans	-79.1	126.6	168.6	-72.5	167.6	-154.3	0	0	109.8	R505 I510	R505-E508 PolarHBondContact O-N 2.94Å; E508-I510 PolarHBondContact O-N 3.2Å
509	D	58.2	Low	59.7	Low	105 Å²	105	86.4 Å²	86.4	56%	0.561	49%	0.492	S	S	*	.			trans	-67.5	115.8	174.2	-104.1	-35.9	0	0	0	108.9	P511 N529	D509-P511 WeakPolarHBondContact O-CD 3.25Å; D509-N529 PolarHBondContact OD1-ND2 2.97Å
510	I	69.1	Low	62.3	Low	18 Å²	18	80.4 Å²	80.4	9%	0.092	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-61.8	123.2	-179	-61.2	174.9	0	0	0	108.6	E508 M528 N529 A532 H561	E508-I510 PolarHBondContact O-N 3.2Å; I510-M528 HydrophobicContact CG2-CE 4.15Å; I510-N529 PolarHBondContact N-ND2 3.17Å; I510-N529 VanDerWaalsContact N-ND2 3.17Å; I510-N529 PolarHBondContact O-OD1 3.39Å; I510-A532 HydrophobicContact CD1-CB 3.91Å; I510-H561 WeakPolarHBondContact CG2-CE1 3.36Å
511	P	73.5	Confident	65.1	Low	83 Å²	83	81 Å²	81	54%	0.539	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-66.8	149.7	176.7	27.7	-34.5	0	0	0	110.5	D509	D509-P511 WeakPolarHBondContact O-CD 3.25Å
512	Q	83.6	Confident	67.8	Low	66 Å²	66	77.2 Å²	77.2	31%	0.308	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-59.9	141.4	177.2	63.3	164.1	64.1	0	0	111.2	G518 L520 L525	Q512-G518 PolarHBondContact NE2-O 3.25Å; Q512-L520 HydrophobicContact CB-CD1 4.12Å; Q512-L525 HydrophobicContact CB-CD1 4.21Å
513	P	83.4	Confident	70.1	Confident	3 Å²	3	73.3 Å²	73.3	2%	0.019	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-64.4	140.2	-179.9	26.6	-34.6	0	0	0	111.5	I515 F516 A560 H561 E564	P513-I515 HydrophobicContact CB-CG2 4.28Å; P513-I515 PolarHBondContact O-N 3.17Å; P513-F516 HydrophobicContact CG-CB 4.03Å; P513-F516 WeakPolarHBondContact O-CB 3.21Å; P513-F516 PolarHBondContact O-N 3.46Å; P513-A560 HydrophobicContact CB-CB 4.29Å; P513-A560 HydrophobicContact CG-CB 3.78Å; P513-H561 HydrophobicContact CB-CB 4.41Å; P513-H561 HydrophobicContact CG-CB 4.22Å; P513-E564 WeakPolarHBondContact CA-OE2 3.5Å; P513-E564 WeakPolarHBondContact CB-OE2 3.39Å
514	T	83.1	Confident	72.8	Confident	117 Å²	117	71 Å²	71	72%	0.718	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-20.9	-179.2	66.9	0	0	0	0	113.1	F516 E564	T514-F516 PolarHBondContact O-N 2.92Å; T514-E564 WeakPolarHBondContact CB-OE1 3.34Å; T514-E564 WeakPolarHBondContact CG2-OE1 3.33Å; T514-E564 VanDerWaalsContact N-CD 3.28Å; T514-E564 PolarHBondContact N-OE1 3.21Å; T514-E564 PolarHBondContact N-OE2 3.5Å; T514-E564 VanDerWaalsContact OG1-CD 3.24Å; T514-E564 PolarHBondContact OG1-OE1 2.86Å; T514-E564 PolarHBondContact OG1-OE2 3.02Å
515	I	84.8	Confident	75.2	Confident	10 Å²	10	68.2 Å²	68.2	5%	0.051	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-7.6	174.7	-153.5	175	0	0	0	113.4	P513 A560 E564 W569 V592 K594	P513-I515 HydrophobicContact CB-CG2 4.28Å; P513-I515 PolarHBondContact O-N 3.17Å; I515-A560 HydrophobicContact CG2-CB 3.45Å; I515-A560 VanDerWaalsContact CG2-CB 3.45Å; I515-E564 WeakPolarHBondContact CB-OE2 3.1Å; I515-E564 WeakPolarHBondContact CG2-OE2 3.48Å; I515-E564 PolarHBondContact N-OE2 2.95Å; I515-W569 HydrophobicContact CD1-CH2 3.81Å; I515-W569 HydrophobicContact CD1-CZ3 4.24Å; I515-V592 HydrophobicContact CD1-CG1 4.4Å; I515-V592 HydrophobicContact CG1-CG1 4.13Å; I515-V592 HydrophobicContact CG2-CG1 4.34Å; I515-K594 HydrophobicContact CD1-CB 3.95Å; I515-K594 HydrophobicContact CD1-CD 3.96Å; I515-K594 HydrophobicContact CD1-CG 4.37Å; I515-K594 HydrophobicContact CG1-CB 4.08Å; I515-K594 HydrophobicContact CG1-CD 3.77Å; I515-K594 HydrophobicContact CG1-CG 4.08Å
516	F	89.3	Confident	77.6	Confident	8 Å²	8	65.9 Å²	65.9	4%	0.035	38%	0.376	C	S	.	.	S	Bend	trans	-97.4	111.6	-179.4	179.5	-90.2	0	0	0	112.4	P513 T514 G518 L520 V553 I556 A557 A560 F591 V592	P513-F516 HydrophobicContact CG-CB 4.03Å; P513-F516 WeakPolarHBondContact O-CB 3.21Å; P513-F516 PolarHBondContact O-N 3.46Å; T514-F516 PolarHBondContact O-N 2.92Å; F516-G518 VanDerWaalsContact C-N 3.31Å; F516-G518 PolarHBondContact O-N 2.79Å; F516-L520 HydrophobicContact CE1-CD2 3.76Å; F516-L520 HydrophobicContact CE1-CG 4.13Å; F516-L520 HydrophobicContact CZ-CD2 3.77Å; F516-V553 HydrophobicContact CE2-CG1 3.9Å; F516-V553 HydrophobicContact CZ-CG1 3.5Å; F516-I556 HydrophobicContact CD2-CG2 4.32Å; F516-I556 HydrophobicContact CE2-CG2 4.29Å; F516-A557 HydrophobicContact CD2-CB 4.2Å; F516-A557 HydrophobicContact CE2-CB 4.27Å; F516-A560 HydrophobicContact CB-CB 4.46Å; F516-F591 CarbonylContact C-O 3.56Å; F516-F591 WeakPolarHBondContact CA-O 3.43Å; F516-F591 HydrophobicContact CD2-CB 4.01Å; F516-F591 HydrophobicContact CE1-CD1 4.22Å; F516-F591 HydrophobicContact CE2-CB 3.62Å; F516-F591 AromaticContact CE2-CD1 3.83Å; F516-F591 HydrophobicContact CE2-CD1 3.83Å; F516-F591 AromaticContact CE2-CG 3.77Å; F516-F591 HydrophobicContact CE2-CG 3.77Å; F516-F591 HydrophobicContact CZ-CB 4.25Å; F516-F591 AromaticContact CZ-CD1 3.54Å; F516-F591 HydrophobicContact CZ-CD1 3.54Å; F516-F591 HydrophobicContact CZ-CE1 4.03Å; F516-F591 AromaticContact CZ-CG 3.95Å; F516-F591 HydrophobicContact CZ-CG 3.95Å; F516-V592 HydrophobicContact CD2-CG2 4.11Å
517	N	86.3	Confident	79.9	Confident	96 Å²	96	62.9 Å²	62.9	51%	0.513	35%	0.351	S	S	.	.			trans	-76.9	69.7	-179.7	-71.2	-7.1	0	0	0	112.5	F591 P593	N517-F591 PolarHBondContact N-O 3.46Å; N517-F591 WeakPolarHBondContact O-CD1 3.21Å; N517-P593 WeakPolarHBondContact ND2-CD 3.47Å; N517-P593 WeakPolarHBondContact ND2-CG 3.31Å
518	G	86.1	Confident	82.1	Confident	28 Å²	28	59.5 Å²	59.5	29%	0.289	32%	0.316	S	S	.	.	S	Bend	trans	-176.7	-175.3	174.1	0	0	0	0	0	112.8	Q512 F516	Q512-G518 PolarHBondContact NE2-O 3.25Å; F516-G518 VanDerWaalsContact C-N 3.31Å; F516-G518 PolarHBondContact O-N 2.79Å
519	K	87.3	Confident	84	Confident	201 Å²	201	54.2 Å²	54.2	87%	0.874	29%	0.292	S	S	*	.			trans	-119.5	124.8	166.4	-69	-171.7	178	-175.1	0	109
520	L	87.8	Confident	85.4	Confident	21 Å²	21	51.7 Å²	51.7	11%	0.11	28%	0.275	C	S	.	.			trans	-75.9	135.9	176.5	-63.6	176.6	0	0	0	110.4	Q512 F516 Q524 L525 V553 A557	Q512-L520 HydrophobicContact CB-CD1 4.12Å; F516-L520 HydrophobicContact CE1-CD2 3.76Å; F516-L520 HydrophobicContact CE1-CG 4.13Å; F516-L520 HydrophobicContact CZ-CD2 3.77Å; L520-Q524 HydrophobicContact CB-CB 4.19Å; L520-Q524 HydrophobicContact CD2-CB 4.32Å; L520-L525 HydrophobicContact CD1-CD1 4.01Å; L520-V553 HydrophobicContact CD2-CG1 3.95Å; L520-A557 HydrophobicContact CD1-CB 3.98Å; L520-A557 HydrophobicContact CD2-CB 4.25Å
521	K	87.8	Confident	86.3	Confident	82 Å²	82	50.9 Å²	50.9	36%	0.357	27%	0.271	S	S	.	.			trans	-64.7	150.5	167.1	-73.1	-163.7	171.8	-163.8	0	108.9	Y523 Q524 L525 E754 E756	K521-Y523 HydrophobicContact CB-CD1 3.81Å; K521-Y523 HydrophobicContact CB-CE1 3.58Å; K521-Y523 HydrophobicContact CD-CE1 3.68Å; K521-Y523 HydrophobicContact CG-CE1 4.22Å; K521-Y523 PolarHBondContact O-N 2.88Å; K521-Q524 HydrophobicContact CB-CG 4.2Å; K521-Q524 WeakPolarHBondContact O-CA 3.12Å; K521-Q524 VanDerWaalsContact O-CB 3.28Å; K521-Q524 WeakPolarHBondContact O-CB 3.15Å; K521-Q524 PolarHBondContact O-N 2.86Å; K521-L525 PolarHBondContact O-N 3.49Å; K521-E754 IonicContact NZ-OE1 2.66Å; K521-E754 PolarHBondContact NZ-OE1 3.22Å; K521-E756 IonicContact NZ-OE2 3.33Å; K521-E756 PolarHBondContact NZ-OE2 2.84Å
522	G	85.3	Confident	86.9	Confident	53 Å²	53	47 Å²	47	55%	0.546	25%	0.246	S	C	.	.	H	α-helix	trans	-55.2	-32.9	-172.4	0	0	0	0	0	115.3	K526	G522-K526 WeakPolarHBondContact O-CG 3.35Å; G522-K526 PolarHBondContact O-N 3.3Å; G522-K526 VanDerWaalsContact O-N 3.1Å
523	Y	87.2	Confident	87	Confident	32 Å²	32	46.6 Å²	46.6	13%	0.125	25%	0.246	C	C	.	.	H	α-helix	trans	-70.3	-34.1	172.7	70.5	-94.9	0	0	0	113	K521 K526 G527 L549 R748 V753	K521-Y523 HydrophobicContact CB-CD1 3.81Å; K521-Y523 HydrophobicContact CB-CE1 3.58Å; K521-Y523 HydrophobicContact CD-CE1 3.68Å; K521-Y523 HydrophobicContact CG-CE1 4.22Å; K521-Y523 PolarHBondContact O-N 2.88Å; Y523-K526 PolarHBondContact O-N 3.31Å; Y523-G527 PolarHBondContact O-N 3.4Å; Y523-L549 HydrophobicContact CE2-CB 3.96Å; Y523-L549 HydrophobicContact CE2-CD2 3.81Å; Y523-L549 HydrophobicContact CE2-CG 4.46Å; Y523-R748 PolarHBondContact O-NH1 2.98Å; Y523-V753 HydrophobicContact CD1-CG1 3.11Å; Y523-V753 HydrophobicContact CD2-CG1 3.83Å; Y523-V753 HydrophobicContact CE1-CG1 3.34Å; Y523-V753 HydrophobicContact CE2-CG1 4.05Å; Y523-V753 HydrophobicContact CG-CG1 3.36Å
524	Q	89.6	Confident	87	Confident	23 Å²	23	47 Å²	47	11%	0.107	25%	0.248	C	C	.	.	H	α-helix	trans	-69.4	-38.2	177.3	-58	173.1	-19.7	0	0	110.3	L520 K521 G527 M528 Q554	L520-Q524 HydrophobicContact CB-CB 4.19Å; L520-Q524 HydrophobicContact CD2-CB 4.32Å; K521-Q524 HydrophobicContact CB-CG 4.2Å; K521-Q524 WeakPolarHBondContact O-CA 3.12Å; K521-Q524 VanDerWaalsContact O-CB 3.28Å; K521-Q524 WeakPolarHBondContact O-CB 3.15Å; K521-Q524 PolarHBondContact O-N 2.86Å; Q524-G527 PolarHBondContact O-N 3.04Å; Q524-M528 PolarHBondContact O-N 2.88Å; Q524-Q554 HydrophobicContact CB-CG 3.95Å; Q524-Q554 HydrophobicContact CG-CG 4.27Å
525	L	88.2	Confident	87.1	Confident	39 Å²	39	42 Å²	42	20%	0.204	22%	0.216	C	C	.	.	H	α-helix	trans	-61.4	-51.1	171.4	-166.3	72.4	0	0	0	110.8	Q512 L520 K521 G527 M528 N529	Q512-L525 HydrophobicContact CB-CD1 4.21Å; L520-L525 HydrophobicContact CD1-CD1 4.01Å; K521-L525 PolarHBondContact O-N 3.49Å; L525-G527 PolarHBondContact O-N 3.35Å; L525-M528 HydrophobicContact CD1-CE 3.96Å; L525-M528 WeakPolarHBondContact O-CB 3.49Å; L525-M528 PolarHBondContact O-N 3.05Å; L525-N529 PolarHBondContact O-N 2.79Å; L525-N529 PolarHBondContact O-OD1 2.78Å; L525-N529 VanDerWaalsContact O-OD1 3.08Å
526	K	86.8	Confident	86.9	Confident	136 Å²	136	46.2 Å²	46.2	59%	0.591	24%	0.235	S	C	*	.	H	α-helix	trans	-58	-32.3	175.1	-71.6	-178.1	178.2	-173.9	0	113.5	G522 Y523 W530	G522-K526 WeakPolarHBondContact O-CG 3.35Å; G522-K526 PolarHBondContact O-N 3.3Å; G522-K526 VanDerWaalsContact O-N 3.1Å; Y523-K526 PolarHBondContact O-N 3.31Å; K526-W530 WeakPolarHBondContact O-CB 3.27Å; K526-W530 PolarHBondContact O-N 3.31Å; K526-W530 VanDerWaalsContact O-N 3.08Å
527	G	88.8	Confident	86.2	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-71.6	-40.4	173.7	0	0	0	0	0	113.4	Y523 Q524 L525 W530 L531	Y523-G527 PolarHBondContact O-N 3.4Å; Q524-G527 PolarHBondContact O-N 3.04Å; L525-G527 PolarHBondContact O-N 3.35Å; G527-W530 PolarHBondContact O-N 2.8Å; G527-L531 WeakPolarHBondContact O-CG 3.39Å; G527-L531 PolarHBondContact O-N 3.22Å
528	M	89.2	Confident	85.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.4	-45.5	172.9	-169.7	-83.4	-69	0	0	111	I510 Q524 L525 W530 L531 A532 A557 H561	I510-M528 HydrophobicContact CG2-CE 4.15Å; Q524-M528 PolarHBondContact O-N 2.88Å; L525-M528 HydrophobicContact CD1-CE 3.96Å; L525-M528 WeakPolarHBondContact O-CB 3.49Å; L525-M528 PolarHBondContact O-N 3.05Å; M528-W530 VanDerWaalsContact C-N 3.33Å; M528-W530 PolarHBondContact O-N 3.28Å; M528-L531 PolarHBondContact O-N 2.77Å; M528-L531 VanDerWaalsContact O-N 3.14Å; M528-A532 WeakPolarHBondContact O-CB 3.43Å; M528-A532 PolarHBondContact O-N 3.42Å; M528-A557 HydrophobicContact CG-CB 4.09Å; M528-H561 HydrophobicContact SD-CB 4.26Å
529	N	88.1	Confident	85.4	Confident	18 Å²	18	44.2 Å²	44.2	10%	0.096	22%	0.216	C	C	.	.	H	α-helix	trans	-62.7	-38.5	178.8	-62.4	5.4	0	0	0	111.6	D509 I510 L525 N533	D509-N529 PolarHBondContact OD1-ND2 2.97Å; I510-N529 PolarHBondContact N-ND2 3.17Å; I510-N529 VanDerWaalsContact N-ND2 3.17Å; I510-N529 PolarHBondContact O-OD1 3.39Å; L525-N529 PolarHBondContact O-N 2.79Å; L525-N529 PolarHBondContact O-OD1 2.78Å; L525-N529 VanDerWaalsContact O-OD1 3.08Å; N529-N533 WeakPolarHBondContact O-CB 3.22Å; N529-N533 PolarHBondContact O-N 3.45Å; N529-N533 VanDerWaalsContact O-N 3.11Å
530	W	87.9	Confident	85.4	Confident	51 Å²	51	35.3 Å²	35.3	19%	0.193	18%	0.178	C	C	.	.	H	α-helix	trans	-63.7	-46.1	172.1	178.3	75.1	0	0	0	112.2	K526 G527 M528 A532 N533 L534 I542 P743 L746	K526-W530 WeakPolarHBondContact O-CB 3.27Å; K526-W530 PolarHBondContact O-N 3.31Å; K526-W530 VanDerWaalsContact O-N 3.08Å; G527-W530 PolarHBondContact O-N 2.8Å; M528-W530 VanDerWaalsContact C-N 3.33Å; M528-W530 PolarHBondContact O-N 3.28Å; W530-A532 PolarHBondContact O-N 3.27Å; W530-N533 PolarHBondContact O-N 3.32Å; W530-L534 HydrophobicContact CD2-CD1 4.1Å; W530-L534 HydrophobicContact CE3-CD1 4.21Å; W530-L534 HydrophobicContact CH2-CD1 3.69Å; W530-L534 HydrophobicContact CZ2-CD1 3.57Å; W530-L534 HydrophobicContact CZ3-CD1 4.02Å; W530-L534 WeakPolarHBondContact O-CG 3.3Å; W530-L534 PolarHBondContact O-N 3.2Å; W530-I542 WeakPolarHBondContact CH2-O 3.44Å; W530-P743 WeakPolarHBondContact CZ2-O 3.48Å; W530-L746 HydrophobicContact CB-CD2 4.32Å; W530-L746 HydrophobicContact CD2-CB 3.84Å; W530-L746 HydrophobicContact CD2-CD2 3.98Å; W530-L746 HydrophobicContact CD2-CG 4.48Å; W530-L746 HydrophobicContact CE3-CB 3.59Å; W530-L746 HydrophobicContact CE3-CD2 3.74Å; W530-L746 HydrophobicContact CE3-CG 4.32Å; W530-L746 HydrophobicContact CG-CD2 4.25Å; W530-L746 HydrophobicContact CH2-CB 3.64Å; W530-L746 VanDerWaalsContact CH2-N 3.32Å; W530-L746 HydrophobicContact CZ2-CB 3.86Å; W530-L746 HydrophobicContact CZ3-CB 3.5Å; W530-L746 VanDerWaalsContact CZ3-CB 3.5Å; W530-L746 HydrophobicContact CZ3-CD2 4.41Å
531	L	89.3	Confident	85.3	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-66	-35.2	177.7	-70.9	172.8	0	0	0	113.4	G527 M528 L534 Y535 L543 L558 L679	G527-L531 WeakPolarHBondContact O-CG 3.39Å; G527-L531 PolarHBondContact O-N 3.22Å; M528-L531 PolarHBondContact O-N 2.77Å; M528-L531 VanDerWaalsContact O-N 3.14Å; L531-L534 PolarHBondContact O-N 2.94Å; L531-Y535 PolarHBondContact O-N 3.31Å; L531-L543 HydrophobicContact CD1-CD2 4.49Å; L531-L558 HydrophobicContact CB-CD1 3.84Å; L531-L558 HydrophobicContact CB-CD2 3.85Å; L531-L558 HydrophobicContact CB-CG 4.35Å; L531-L558 HydrophobicContact CD1-CD2 4.28Å; L531-L679 HydrophobicContact CD1-CD2 4.27Å; L531-L679 HydrophobicContact CD2-CD1 3.63Å; L531-L679 HydrophobicContact CD2-CD2 4.38Å
532	A	85.7	Confident	85.4	Confident	2 Å²	2	30.7 Å²	30.7	2%	0.017	16%	0.158	C	C	.	.	H	α-helix	trans	-66.1	-46.8	176	0	0	0	0	0	111.3	I510 M528 W530 L534 Y535 E536 L558	I510-A532 HydrophobicContact CD1-CB 3.91Å; M528-A532 WeakPolarHBondContact O-CB 3.43Å; M528-A532 PolarHBondContact O-N 3.42Å; W530-A532 PolarHBondContact O-N 3.27Å; A532-L534 VanDerWaalsContact C-N 3.33Å; A532-L534 PolarHBondContact O-N 3.36Å; A532-Y535 WeakPolarHBondContact O-CA 3.34Å; A532-Y535 WeakPolarHBondContact O-CB 3.43Å; A532-Y535 PolarHBondContact O-N 2.99Å; A532-E536 PolarHBondContact O-N 3Å; A532-L558 HydrophobicContact CB-CD1 4.15Å
533	N	84.9	Confident	85.6	Confident	58 Å²	58	28.1 Å²	28.1	31%	0.31	13%	0.132	S	C	.	.	H	α-helix	trans	-60.1	-40.1	175.4	-171.6	11.2	0	0	0	112.1	N529 W530 Y535 E536 Q537	N529-N533 WeakPolarHBondContact O-CB 3.22Å; N529-N533 PolarHBondContact O-N 3.45Å; N529-N533 VanDerWaalsContact O-N 3.11Å; W530-N533 PolarHBondContact O-N 3.32Å; N533-Y535 VanDerWaalsContact C-N 3.33Å; N533-Y535 PolarHBondContact O-N 3.17Å; N533-E536 PolarHBondContact O-N 3.13Å; N533-Q537 VanDerWaalsContact O-CG 3.3Å; N533-Q537 WeakPolarHBondContact O-CG 3.48Å; N533-Q537 PolarHBondContact O-N 3.28Å; N533-Q537 VanDerWaalsContact O-N 3.15Å; N533-Q537 PolarHBondContact OD1-NE2 2.94Å
534	L	84.3	Confident	85.6	Confident	12 Å²	12	27 Å²	27	6%	0.063	13%	0.128	C	C	.	.	H	α-helix	trans	-62.3	-38.2	171.5	-70	-177.8	0	0	0	112.5	W530 L531 A532 Q537 G538 I539	W530-L534 HydrophobicContact CD2-CD1 4.1Å; W530-L534 HydrophobicContact CE3-CD1 4.21Å; W530-L534 HydrophobicContact CH2-CD1 3.69Å; W530-L534 HydrophobicContact CZ2-CD1 3.57Å; W530-L534 HydrophobicContact CZ3-CD1 4.02Å; W530-L534 WeakPolarHBondContact O-CG 3.3Å; W530-L534 PolarHBondContact O-N 3.2Å; L531-L534 PolarHBondContact O-N 2.94Å; A532-L534 VanDerWaalsContact C-N 3.33Å; A532-L534 PolarHBondContact O-N 3.36Å; L534-Q537 PolarHBondContact O-N 2.83Å; L534-G538 PolarHBondContact O-N 2.94Å; L534-I539 HydrophobicContact CB-CB 4.37Å; L534-I539 HydrophobicContact CD2-CB 4.01Å; L534-I539 HydrophobicContact CD2-CD1 4.2Å; L534-I539 HydrophobicContact CD2-CG2 3.85Å; L534-I539 PolarHBondContact O-N 2.87Å
535	Y	84.6	Confident	85.6	Confident	10 Å²	10	25.9 Å²	25.9	4%	0.039	12%	0.123	C	C	.	.	H	α-helix	trans	-66.4	-44.3	177.3	-177.6	-97.9	0	0	0	112.7	L531 A532 N533 Q537 G538 L562 I568 Y650 R676 N677	L531-Y535 PolarHBondContact O-N 3.31Å; A532-Y535 WeakPolarHBondContact O-CA 3.34Å; A532-Y535 WeakPolarHBondContact O-CB 3.43Å; A532-Y535 PolarHBondContact O-N 2.99Å; N533-Y535 VanDerWaalsContact C-N 3.33Å; N533-Y535 PolarHBondContact O-N 3.17Å; Y535-Q537 VanDerWaalsContact C-N 3.26Å; Y535-Q537 PolarHBondContact O-N 3.25Å; Y535-G538 WeakPolarHBondContact O-CA 3.44Å; Y535-G538 PolarHBondContact O-N 3.24Å; Y535-L562 HydrophobicContact CD1-CD1 4.27Å; Y535-L562 HydrophobicContact CD1-CD2 3.36Å; Y535-L562 HydrophobicContact CD1-CG 4.47Å; Y535-L562 HydrophobicContact CD2-CD1 4.09Å; Y535-L562 HydrophobicContact CE1-CD1 4.21Å; Y535-L562 HydrophobicContact CE1-CD2 3.52Å; Y535-L562 HydrophobicContact CE1-CG 4.48Å; Y535-L562 HydrophobicContact CE2-CD1 4.01Å; Y535-L562 HydrophobicContact CG-CD1 4.2Å; Y535-L562 HydrophobicContact CG-CD2 3.95Å; Y535-I568 VanDerWaalsContact OH-CD1 3.26Å; Y535-I568 WeakPolarHBondContact OH-CD1 3.22Å; Y535-Y650 HydrophobicContact CD2-CD2 4.03Å; Y535-Y650 AromaticContact CD2-CE2 3.81Å; Y535-Y650 HydrophobicContact CD2-CE2 3.81Å; Y535-Y650 HydrophobicContact CE2-CD2 4.09Å; Y535-Y650 HydrophobicContact CE2-CE2 4.35Å; Y535-R676 PolarHBondContact OH-NE 3.31Å; Y535-N677 HydrophobicContact CD2-CB 4.27Å; Y535-N677 VanDerWaalsContact CD2-OD1 3.26Å; Y535-N677 WeakPolarHBondContact CD2-OD1 3.38Å; Y535-N677 WeakPolarHBondContact CE2-OD1 3.42Å
536	E	80.4	Confident	85.5	Confident	99 Å²	99	27 Å²	27	46%	0.463	13%	0.128	S	C	.	.	H	α-helix	trans	-57.9	-38.6	174.8	-71.3	178.3	-159.7	0	0	111.9	A532 N533 G538	A532-E536 PolarHBondContact O-N 3Å; N533-E536 PolarHBondContact O-N 3.13Å; E536-G538 PolarHBondContact O-N 3.1Å
537	Q	74.9	Confident	85.5	Confident	81 Å²	81	25.6 Å²	25.6	38%	0.379	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-5.4	175.1	-63.8	175.7	29.6	0	0	113.5	N533 L534 Y535 I539	N533-Q537 VanDerWaalsContact O-CG 3.3Å; N533-Q537 WeakPolarHBondContact O-CG 3.48Å; N533-Q537 PolarHBondContact O-N 3.28Å; N533-Q537 VanDerWaalsContact O-N 3.15Å; N533-Q537 PolarHBondContact OD1-NE2 2.94Å; L534-Q537 PolarHBondContact O-N 2.83Å; Y535-Q537 VanDerWaalsContact C-N 3.26Å; Y535-Q537 PolarHBondContact O-N 3.25Å; Q537-I539 VanDerWaalsContact C-N 3.27Å; Q537-I539 HydrophobicContact CB-CD1 3.71Å; Q537-I539 HydrophobicContact CB-CG1 3.8Å; Q537-I539 PolarHBondContact O-N 2.6Å
538	G	75.8	Confident	85.2	Confident	2 Å²	2	28.7 Å²	28.7	2%	0.021	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	13.3	-175.6	0	0	0	0	0	114.7	H464 L534 Y535 E536	H464-G538 PolarHBondContact CE1-O 2.87Å; H464-G538 VanDerWaalsContact CE1-O 3.26Å; L534-G538 PolarHBondContact O-N 2.94Å; Y535-G538 WeakPolarHBondContact O-CA 3.44Å; Y535-G538 PolarHBondContact O-N 3.24Å; E536-G538 PolarHBondContact O-N 3.1Å
539	I	80.6	Confident	85	Confident	7 Å²	7	28.8 Å²	28.8	4%	0.036	16%	0.157	C	C	.	.			trans	-83.8	155.8	-173.4	-59.8	175	0	0	0	111.4	M401 L534 Q537 N677 F744	M401-I539 HydrophobicContact CE-CD1 3.54Å; M401-I539 HydrophobicContact CE-CG1 3.69Å; M401-I539 HydrophobicContact SD-CD1 3.58Å; M401-I539 VanDerWaalsContact SD-CD1 3.58Å; M401-I539 HydrophobicContact SD-CG1 3.94Å; L534-I539 HydrophobicContact CB-CB 4.37Å; L534-I539 HydrophobicContact CD2-CB 4.01Å; L534-I539 HydrophobicContact CD2-CD1 4.2Å; L534-I539 HydrophobicContact CD2-CG2 3.85Å; L534-I539 PolarHBondContact O-N 2.87Å; Q537-I539 VanDerWaalsContact C-N 3.27Å; Q537-I539 HydrophobicContact CB-CD1 3.71Å; Q537-I539 HydrophobicContact CB-CG1 3.8Å; Q537-I539 PolarHBondContact O-N 2.6Å; I539-N677 PolarHBondContact O-ND2 3.35Å; I539-F744 HydrophobicContact CG2-CD1 3.73Å; I539-F744 HydrophobicContact CG2-CE1 3.75Å
540	N	86.8	Confident	85.1	Confident	14 Å²	14	28.8 Å²	28.8	8%	0.075	16%	0.162	C	C	.	.			trans	-102.7	139.1	174.2	-67.1	-33.7	0	0	0	110.3	N677 R678 I700	N540-N677 WeakPolarHBondContact OD1-CA 3.44Å; N540-R678 WeakPolarHBondContact CA-O 3.35Å; N540-R678 HydrophobicContact CB-CB 4.37Å; N540-R678 WeakPolarHBondContact CB-O 3.3Å; N540-R678 PolarHBondContact OD1-N 3.18Å; N540-I700 HydrophobicContact CB-CB 4.19Å; N540-I700 HydrophobicContact CB-CG1 4.35Å; N540-I700 HydrophobicContact CB-CG2 3.51Å; N540-I700 PolarHBondContact ND2-O 2.91Å; N540-I700 WeakPolarHBondContact O-CG2 3.15Å
541	G	85.9	Confident	85.2	Confident	2 Å²	2	27.3 Å²	27.3	2%	0.021	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	155.6	-167.9	0	0	0	0	0	115.5	R678 L680	G541-R678 PolarHBondContact N-O 3.31Å; G541-L680 PolarHBondContact O-N 3.37Å
542	I	89	Confident	85.4	Confident	4 Å²	4	28.5 Å²	28.5	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	116.7	170.7	-52.3	176.2	0	0	0	109.4	W530 A544 L680 T682 I700 F744 M745 L746	W530-I542 WeakPolarHBondContact CH2-O 3.44Å; I542-A544 HydrophobicContact CG2-CB 4.18Å; I542-L680 CarbonylContact C-O 3.54Å; I542-L680 WeakPolarHBondContact CA-O 3.46Å; I542-L680 HydrophobicContact CG1-CB 4.39Å; I542-T682 HydrophobicContact CG2-CG2 4.15Å; I542-I700 HydrophobicContact CD1-CD1 3.77Å; I542-I700 HydrophobicContact CG1-CD1 3.27Å; I542-F744 PolarHBondContact N-O 3.29Å; I542-M745 HydrophobicContact CB-CB 4.3Å; I542-M745 HydrophobicContact CB-CG 4.1Å; I542-M745 HydrophobicContact CD1-CE 4.27Å; I542-M745 HydrophobicContact CG2-CG 4.14Å; I542-M745 WeakPolarHBondContact O-CA 3.5Å; I542-L746 PolarHBondContact O-N 2.81Å
543	L	90.1	Very high	85.8	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	101.2	167.2	-170.6	63.1	0	0	0	109.4	L531 K551 Q554 L679 L680 L681 T682 L746	L531-L543 HydrophobicContact CD1-CD2 4.49Å; L543-K551 HydrophobicContact CB-CD 4.37Å; L543-K551 HydrophobicContact CD2-CB 3.98Å; L543-K551 HydrophobicContact CD2-CD 4.11Å; L543-K551 HydrophobicContact CD2-CG 3.72Å; L543-K551 HydrophobicContact CG-CD 3.91Å; L543-K551 HydrophobicContact CG-CG 3.98Å; L543-K551 VanDerWaalsContact O-CD 3.3Å; L543-K551 WeakPolarHBondContact O-CD 3.43Å; L543-Q554 HydrophobicContact CD2-CB 4.26Å; L543-L679 HydrophobicContact CB-CD1 4.43Å; L543-L680 PolarHBondContact N-O 2.91Å; L543-L681 HydrophobicContact CB-CD2 3.81Å; L543-L681 HydrophobicContact CD2-CD2 4.12Å; L543-T682 PolarHBondContact O-N 3.17Å; L543-L746 HydrophobicContact CD1-CB 4.12Å; L543-L746 HydrophobicContact CD1-CD2 3.96Å; L543-L746 HydrophobicContact CD1-CG 4.2Å
544	A	87.8	Confident	86.1	Confident	7 Å²	7	26.6 Å²	26.6	6%	0.058	15%	0.154	C	C	.	.			trans	-106.1	24.2	-175.5	0	0	0	0	0	113.3	I542 T682 M745 L746 R747	I542-A544 HydrophobicContact CG2-CB 4.18Å; A544-T682 HydrophobicContact CB-CG2 3.59Å; A544-M745 HydrophobicContact CB-CG 3.98Å; A544-M745 HydrophobicContact CB-SD 4.2Å; A544-L746 WeakPolarHBondContact CA-O 3.1Å; A544-L746 PolarHBondContact N-O 3.38Å; A544-R747 HydrophobicContact CB-CB 4.09Å; A544-R747 HydrophobicContact CB-CG 4.47Å
545	D	88.8	Confident	86.5	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.151	C	C	.	.			trans	-51.9	146.4	167.6	-77.8	-13.5	0	0	0	112.2	L549 K551 Q554 R748	D545-L549 HydrophobicContact CB-CB 4.07Å; D545-L549 HydrophobicContact CB-CD1 4.03Å; D545-K551 HydrophobicContact CB-CD 4.05Å; D545-K551 HydrophobicContact CB-CG 3.82Å; D545-K551 PolarHBondContact O-NZ 3.08Å; D545-Q554 PolarHBondContact OD2-NE2 2.75Å; D545-R748 WeakPolarHBondContact OD1-CB 3.2Å; D545-R748 IonicContact OD1-CZ 2.78Å; D545-R748 IonicContact OD1-NE 4Å; D545-R748 PolarHBondContact OD1-NE 3.26Å; D545-R748 IonicContact OD1-NH2 3.69Å; D545-R748 PolarHBondContact OD1-NH2 3.19Å; D545-R748 IonicContact OD2-CZ 2.63Å; D545-R748 IonicContact OD2-NE 2.88Å; D545-R748 IonicContact OD2-NH2 3.11Å; D545-R748 PolarHBondContact OD2-NH2 3.28Å
546	E	86.2	Confident	86.9	Confident	63 Å²	63	25.5 Å²	25.5	29%	0.294	15%	0.149	S	C	.	.			trans	-55.9	152.9	173.2	-149.6	-164.1	128.6	0	0	113.5	G548 L549 R748 I749 K750	E546-G548 PolarHBondContact O-N 3.42Å; E546-G548 VanDerWaalsContact O-N 3.09Å; E546-L549 HydrophobicContact CB-CD1 4.07Å; E546-L549 PolarHBondContact O-N 3.18Å; E546-R748 PolarHBondContact N-O 3.16Å; E546-I749 WeakPolarHBondContact OE2-CG2 3.46Å; E546-K750 WeakPolarHBondContact OE1-CD 3.37Å; E546-K750 WeakPolarHBondContact OE1-CE 3.32Å; E546-K750 IonicContact OE1-NZ 3.87Å; E546-K750 PolarHBondContact OE1-NZ 2.98Å; E546-K750 WeakPolarHBondContact OE2-CG 3.24Å; E546-K750 PolarHBondContact OE2-N 3.37Å
547	M	86.2	Confident	87.5	Confident	106 Å²	106	20.8 Å²	20.8	52%	0.522	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	111.1	175	-60.8	-174.1	81.2	0	0	111	E655 G683 K750	M547-E655 VanDerWaalsContact CE-OE1 3.25Å; M547-E655 WeakPolarHBondContact CE-OE1 3.5Å; M547-G683 VanDerWaalsContact CG-CA 3.47Å; M547-K750 WeakPolarHBondContact O-CE 3.44Å; M547-K750 PolarHBondContact O-NZ 3.43Å
548	G	82.5	Confident	88.2	Confident	66 Å²	66	17 Å²	17	68%	0.68	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	132.7	-29.2	-178.4	0	0	0	0	0	113.4	E546 G550	E546-G548 PolarHBondContact O-N 3.42Å; E546-G548 VanDerWaalsContact O-N 3.09Å; G548-G550 PolarHBondContact O-N 2.68Å
549	L	86.3	Confident	89	Confident	1 Å²	1	16.9 Å²	16.9	1%	0.005	11%	0.108	C	C	.	.	S	Bend	trans	-72.6	21.7	-177	-65.2	175.1	0	0	0	114.7	Y523 D545 E546 K551 Q554 R748 K750 V753	Y523-L549 HydrophobicContact CE2-CB 3.96Å; Y523-L549 HydrophobicContact CE2-CD2 3.81Å; Y523-L549 HydrophobicContact CE2-CG 4.46Å; D545-L549 HydrophobicContact CB-CB 4.07Å; D545-L549 HydrophobicContact CB-CD1 4.03Å; E546-L549 HydrophobicContact CB-CD1 4.07Å; E546-L549 PolarHBondContact O-N 3.18Å; L549-K551 PolarHBondContact O-N 2.9Å; L549-Q554 PolarHBondContact O-NE2 3.34Å; L549-R748 HydrophobicContact CD1-CB 4.12Å; L549-R748 WeakPolarHBondContact CD1-O 3.39Å; L549-K750 HydrophobicContact CD2-CG 4.3Å; L549-K750 HydrophobicContact CG-CG 4.45Å; L549-V753 HydrophobicContact CD2-CB 4.2Å; L549-V753 HydrophobicContact CD2-CG1 3.87Å
550	G	88.5	Confident	89.4	Confident	19 Å²	19	16.6 Å²	16.6	20%	0.196	11%	0.107	C	C	.	.			trans	67.1	32.4	171	0	0	0	0	0	116.2	G548 T552 V553 Q554	G548-G550 PolarHBondContact O-N 2.68Å; G550-T552 PolarHBondContact O-N 3.49Å; G550-T552 VanDerWaalsContact O-N 3.16Å; G550-V553 WeakPolarHBondContact O-CA 3.48Å; G550-V553 WeakPolarHBondContact O-CB 3.34Å; G550-V553 PolarHBondContact O-N 3.35Å; G550-Q554 PolarHBondContact O-N 2.77Å
551	K	91.8	Very high	89.4	Confident	19 Å²	19	16.3 Å²	16.3	8%	0.083	11%	0.105	C	C	.	.	H	α-helix	trans	-48.9	-41.4	177.5	-70.6	-162.1	-70.3	-81.5	0	113.9	L543 D545 L549 Q554 S555 L681 T682	L543-K551 HydrophobicContact CB-CD 4.37Å; L543-K551 HydrophobicContact CD2-CB 3.98Å; L543-K551 HydrophobicContact CD2-CD 4.11Å; L543-K551 HydrophobicContact CD2-CG 3.72Å; L543-K551 HydrophobicContact CG-CD 3.91Å; L543-K551 HydrophobicContact CG-CG 3.98Å; L543-K551 VanDerWaalsContact O-CD 3.3Å; L543-K551 WeakPolarHBondContact O-CD 3.43Å; D545-K551 HydrophobicContact CB-CD 4.05Å; D545-K551 HydrophobicContact CB-CG 3.82Å; D545-K551 PolarHBondContact O-NZ 3.08Å; L549-K551 PolarHBondContact O-N 2.9Å; K551-Q554 PolarHBondContact O-N 3.28Å; K551-S555 WeakPolarHBondContact O-CB 3.35Å; K551-S555 PolarHBondContact O-N 3.06Å; K551-S555 PolarHBondContact O-OG 3.49Å; K551-L681 HydrophobicContact CD-CB 4.32Å; K551-T682 WeakPolarHBondContact CE-O 3.42Å; K551-T682 PolarHBondContact NZ-O 3.08Å
552	T	93.3	Very high	89.5	Confident	27 Å²	27	16.3 Å²	16.3	17%	0.166	11%	0.105	C	C	.	.	H	α-helix	trans	-56.9	-46.9	173.1	-55.4	0	0	0	0	111.7	G550 S555 I556 W584 E587	G550-T552 PolarHBondContact O-N 3.49Å; G550-T552 VanDerWaalsContact O-N 3.16Å; T552-S555 WeakPolarHBondContact O-CB 3.44Å; T552-S555 PolarHBondContact O-N 2.96Å; T552-I556 HydrophobicContact CG2-CD1 3.98Å; T552-I556 VanDerWaalsContact O-CG1 3.29Å; T552-I556 WeakPolarHBondContact O-CG1 3.44Å; T552-I556 PolarHBondContact O-N 3.06Å; T552-W584 HydrophobicContact CG2-CD2 3.83Å; T552-W584 HydrophobicContact CG2-CE3 3.69Å; T552-W584 HydrophobicContact CG2-CH2 3.97Å; T552-W584 HydrophobicContact CG2-CZ2 4.06Å; T552-W584 HydrophobicContact CG2-CZ3 3.78Å; T552-E587 HydrophobicContact CG2-CB 4.42Å
553	V	92.5	Very high	89.3	Confident	19 Å²	19	16.3 Å²	16.3	12%	0.115	11%	0.105	C	C	.	.	H	α-helix	trans	-67.1	-43.8	179.8	-171.2	0	0	0	0	111.2	F516 L520 G550 S555 I556 A557 F591	F516-V553 HydrophobicContact CE2-CG1 3.9Å; F516-V553 HydrophobicContact CZ-CG1 3.5Å; L520-V553 HydrophobicContact CD2-CG1 3.95Å; G550-V553 WeakPolarHBondContact O-CA 3.48Å; G550-V553 WeakPolarHBondContact O-CB 3.34Å; G550-V553 PolarHBondContact O-N 3.35Å; V553-S555 VanDerWaalsContact C-N 3.28Å; V553-S555 PolarHBondContact O-N 3.01Å; V553-I556 PolarHBondContact O-N 3.45Å; V553-A557 WeakPolarHBondContact O-CB 3.43Å; V553-A557 PolarHBondContact O-N 3.41Å; V553-F591 HydrophobicContact CG1-CE2 4.36Å; V553-F591 HydrophobicContact CG1-CZ 4.39Å; V553-F591 HydrophobicContact CG2-CE2 3.88Å; V553-F591 HydrophobicContact CG2-CZ 4.27Å
554	Q	92	Very high	89	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.4	-40.2	173.7	-65.5	179.1	61.1	0	0	111.4	Q524 L543 D545 L549 G550 K551 L558	Q524-Q554 HydrophobicContact CB-CG 3.95Å; Q524-Q554 HydrophobicContact CG-CG 4.27Å; L543-Q554 HydrophobicContact CD2-CB 4.26Å; D545-Q554 PolarHBondContact OD2-NE2 2.75Å; L549-Q554 PolarHBondContact O-NE2 3.34Å; G550-Q554 PolarHBondContact O-N 2.77Å; K551-Q554 PolarHBondContact O-N 3.28Å; Q554-L558 PolarHBondContact O-N 3.49Å
555	S	93.3	Very high	88.6	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-69.8	-40.2	177.6	-53.4	0	0	0	0	112.8	K551 T552 V553 L558 L559	K551-S555 WeakPolarHBondContact O-CB 3.35Å; K551-S555 PolarHBondContact O-N 3.06Å; K551-S555 PolarHBondContact O-OG 3.49Å; T552-S555 WeakPolarHBondContact O-CB 3.44Å; T552-S555 PolarHBondContact O-N 2.96Å; V553-S555 VanDerWaalsContact C-N 3.28Å; V553-S555 PolarHBondContact O-N 3.01Å; S555-L558 PolarHBondContact O-N 2.67Å; S555-L559 WeakPolarHBondContact O-CG 3.33Å; S555-L559 PolarHBondContact O-N 3.48Å; S555-L559 VanDerWaalsContact O-N 3.16Å
556	I	93.4	Very high	87.8	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66	-41.9	175.6	-69.7	168.8	0	0	0	110.4	F516 T552 V553 L558 L559 A560 W584 E587 F588 F591 V592	F516-I556 HydrophobicContact CD2-CG2 4.32Å; F516-I556 HydrophobicContact CE2-CG2 4.29Å; T552-I556 HydrophobicContact CG2-CD1 3.98Å; T552-I556 VanDerWaalsContact O-CG1 3.29Å; T552-I556 WeakPolarHBondContact O-CG1 3.44Å; T552-I556 PolarHBondContact O-N 3.06Å; V553-I556 PolarHBondContact O-N 3.45Å; I556-L558 VanDerWaalsContact C-N 3.35Å; I556-L558 PolarHBondContact O-N 3.18Å; I556-L559 PolarHBondContact O-N 3.21Å; I556-A560 WeakPolarHBondContact O-CB 3.5Å; I556-A560 PolarHBondContact O-N 2.93Å; I556-W584 HydrophobicContact CG1-CZ3 4.29Å; I556-E587 HydrophobicContact CD1-CB 3.95Å; I556-F588 HydrophobicContact CD1-CD2 4.15Å; I556-F588 HydrophobicContact CD1-CE2 4.25Å; I556-F588 HydrophobicContact CD1-CG 4.29Å; I556-F588 HydrophobicContact CG1-CD1 4.28Å; I556-F588 HydrophobicContact CG1-CD2 4.25Å; I556-F588 HydrophobicContact CG1-CE1 3.95Å; I556-F588 HydrophobicContact CG1-CE2 3.89Å; I556-F588 HydrophobicContact CG1-CG 4.42Å; I556-F588 HydrophobicContact CG1-CZ 3.74Å; I556-F588 HydrophobicContact CG2-CD1 4.32Å; I556-F588 HydrophobicContact CG2-CE1 4.22Å; I556-F591 HydrophobicContact CG2-CB 4.16Å; I556-V592 HydrophobicContact CG2-CB 4.42Å; I556-V592 HydrophobicContact CG2-CG2 3.44Å; I556-V592 VanDerWaalsContact CG2-CG2 3.44Å
557	A	91.6	Very high	87.5	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-63.8	-36.5	176.3	0	0	0	0	0	112.8	F516 L520 M528 V553 A560 H561	F516-A557 HydrophobicContact CD2-CB 4.2Å; F516-A557 HydrophobicContact CE2-CB 4.27Å; L520-A557 HydrophobicContact CD1-CB 3.98Å; L520-A557 HydrophobicContact CD2-CB 4.25Å; M528-A557 HydrophobicContact CG-CB 4.09Å; V553-A557 WeakPolarHBondContact O-CB 3.43Å; V553-A557 PolarHBondContact O-N 3.41Å; A557-A560 WeakPolarHBondContact O-CB 3.3Å; A557-H561 WeakPolarHBondContact O-CB 3.43Å; A557-H561 PolarHBondContact O-N 2.88Å
558	L	90.7	Very high	87.3	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.2	-50	171.7	-179.6	71.5	0	0	0	111.7	L531 A532 Q554 S555 I556 A560 H561 L562 Y650	L531-L558 HydrophobicContact CB-CD1 3.84Å; L531-L558 HydrophobicContact CB-CD2 3.85Å; L531-L558 HydrophobicContact CB-CG 4.35Å; L531-L558 HydrophobicContact CD1-CD2 4.28Å; A532-L558 HydrophobicContact CB-CD1 4.15Å; Q554-L558 PolarHBondContact O-N 3.49Å; S555-L558 PolarHBondContact O-N 2.67Å; I556-L558 VanDerWaalsContact C-N 3.35Å; I556-L558 PolarHBondContact O-N 3.18Å; L558-A560 VanDerWaalsContact C-N 3.3Å; L558-A560 PolarHBondContact O-N 2.74Å; L558-H561 WeakPolarHBondContact O-CB 3.37Å; L558-H561 PolarHBondContact O-N 3.05Å; L558-H561 VanDerWaalsContact O-N 3.1Å; L558-L562 WeakPolarHBondContact O-CG 3.28Å; L558-L562 PolarHBondContact O-N 3.19Å; L558-Y650 HydrophobicContact CD2-CE1 3.96Å; L558-Y650 HydrophobicContact CD2-CE2 4.23Å; L558-Y650 VanDerWaalsContact CD2-OH 3.26Å; L558-Y650 WeakPolarHBondContact CD2-OH 3.37Å
559	L	91.2	Very high	87.4	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-63.5	-37.6	-179.8	-65.5	174.6	0	0	0	111.9	S555 I556 L562 A563 F572 I574 F588 F595 Y650	S555-L559 WeakPolarHBondContact O-CG 3.33Å; S555-L559 PolarHBondContact O-N 3.48Å; S555-L559 VanDerWaalsContact O-N 3.16Å; I556-L559 PolarHBondContact O-N 3.21Å; L559-L562 PolarHBondContact O-N 3.47Å; L559-A563 PolarHBondContact O-N 2.75Å; L559-A563 VanDerWaalsContact O-N 3.12Å; L559-F572 HydrophobicContact CB-CE2 4.41Å; L559-F572 HydrophobicContact CD2-CD1 3.75Å; L559-F572 HydrophobicContact CD2-CD2 4.07Å; L559-F572 HydrophobicContact CD2-CE1 3.79Å; L559-F572 HydrophobicContact CD2-CE2 4.11Å; L559-F572 HydrophobicContact CD2-CG 3.87Å; L559-F572 HydrophobicContact CD2-CZ 3.96Å; L559-I574 HydrophobicContact CD1-CD1 4.16Å; L559-F588 HydrophobicContact CD1-CZ 4Å; L559-F595 HydrophobicContact CB-CE2 4.21Å; L559-Y650 HydrophobicContact CD2-CD1 3.98Å; L559-Y650 HydrophobicContact CD2-CG 4.09Å
560	A	89.7	Confident	87.1	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-57.6	-46.9	170.1	0	0	0	0	0	112.2	P513 I515 F516 I556 A557 L558 L562 A563 E564 V592	P513-A560 HydrophobicContact CB-CB 4.29Å; P513-A560 HydrophobicContact CG-CB 3.78Å; I515-A560 HydrophobicContact CG2-CB 3.45Å; I515-A560 VanDerWaalsContact CG2-CB 3.45Å; F516-A560 HydrophobicContact CB-CB 4.46Å; I556-A560 WeakPolarHBondContact O-CB 3.5Å; I556-A560 PolarHBondContact O-N 2.93Å; A557-A560 WeakPolarHBondContact O-CB 3.3Å; L558-A560 VanDerWaalsContact C-N 3.3Å; L558-A560 PolarHBondContact O-N 2.74Å; A560-L562 PolarHBondContact O-N 3.27Å; A560-A563 PolarHBondContact O-N 3.35Å; A560-E564 WeakPolarHBondContact O-CB 3.48Å; A560-E564 PolarHBondContact O-N 2.9Å; A560-V592 HydrophobicContact CB-CG2 4.08Å
561	H	87.8	Confident	87.1	Confident	8 Å²	8	23.3 Å²	23.3	4%	0.037	11%	0.111	C	C	.	.	H	α-helix	trans	-61.3	-42.2	177.7	-178.9	81.8	0	0	0	112.9	I510 P513 M528 A557 L558 A563 E564 R565	I510-H561 WeakPolarHBondContact CG2-CE1 3.36Å; P513-H561 HydrophobicContact CB-CB 4.41Å; P513-H561 HydrophobicContact CG-CB 4.22Å; M528-H561 HydrophobicContact SD-CB 4.26Å; A557-H561 WeakPolarHBondContact O-CB 3.43Å; A557-H561 PolarHBondContact O-N 2.88Å; L558-H561 WeakPolarHBondContact O-CB 3.37Å; L558-H561 PolarHBondContact O-N 3.05Å; L558-H561 VanDerWaalsContact O-N 3.1Å; H561-A563 PolarHBondContact O-N 3.16Å; H561-E564 PolarHBondContact O-N 2.66Å; H561-R565 WeakPolarHBondContact CE1-CD 3.19Å; H561-R565 PolarHBondContact O-N 2.96Å
562	L	86.4	Confident	87.1	Confident	3 Å²	3	22.5 Å²	22.5	2%	0.016	11%	0.107	C	C	.	.	H	α-helix	trans	-67.6	-32.7	177.4	-62.9	-178.2	0	0	0	113.4	Y535 L558 L559 A560 E566 N567 I568 Y650	Y535-L562 HydrophobicContact CD1-CD1 4.27Å; Y535-L562 HydrophobicContact CD1-CD2 3.36Å; Y535-L562 HydrophobicContact CD1-CG 4.47Å; Y535-L562 HydrophobicContact CD2-CD1 4.09Å; Y535-L562 HydrophobicContact CE1-CD1 4.21Å; Y535-L562 HydrophobicContact CE1-CD2 3.52Å; Y535-L562 HydrophobicContact CE1-CG 4.48Å; Y535-L562 HydrophobicContact CE2-CD1 4.01Å; Y535-L562 HydrophobicContact CG-CD1 4.2Å; Y535-L562 HydrophobicContact CG-CD2 3.95Å; L558-L562 WeakPolarHBondContact O-CG 3.28Å; L558-L562 PolarHBondContact O-N 3.19Å; L559-L562 PolarHBondContact O-N 3.47Å; A560-L562 PolarHBondContact O-N 3.27Å; L562-E566 HydrophobicContact CD2-CG 4.38Å; L562-E566 WeakPolarHBondContact O-CB 3.44Å; L562-E566 PolarHBondContact O-N 3.47Å; L562-N567 PolarHBondContact O-N 2.9Å; L562-I568 PolarHBondContact O-N 3.16Å; L562-Y650 HydrophobicContact CD1-CD2 4.4Å
563	A	84.9	Confident	87.1	Confident	4 Å²	4	21.2 Å²	21.2	3%	0.033	10%	0.1	C	C	.	.	H	α-helix	trans	-73.5	-30.8	173.4	0	0	0	0	0	112.7	L559 A560 H561 I568 W569 F595	L559-A563 PolarHBondContact O-N 2.75Å; L559-A563 VanDerWaalsContact O-N 3.12Å; A560-A563 PolarHBondContact O-N 3.35Å; H561-A563 PolarHBondContact O-N 3.16Å; A563-I568 WeakPolarHBondContact CA-O 3.49Å; A563-W569 HydrophobicContact CB-CD2 4.24Å; A563-W569 HydrophobicContact CB-CG 4.48Å; A563-F595 HydrophobicContact CB-CE1 3.68Å; A563-F595 HydrophobicContact CB-CZ 3.64Å
564	E	83.8	Confident	87.3	Confident	75 Å²	75	20.3 Å²	20.3	35%	0.35	9%	0.094	S	C	.	.	H	α-helix	trans	-87.3	-39.1	-175.5	-169.1	169.7	152.2	0	0	113.9	P513 T514 I515 A560 H561	P513-E564 WeakPolarHBondContact CA-OE2 3.5Å; P513-E564 WeakPolarHBondContact CB-OE2 3.39Å; T514-E564 WeakPolarHBondContact CB-OE1 3.34Å; T514-E564 WeakPolarHBondContact CG2-OE1 3.33Å; T514-E564 VanDerWaalsContact N-CD 3.28Å; T514-E564 PolarHBondContact N-OE1 3.21Å; T514-E564 PolarHBondContact N-OE2 3.5Å; T514-E564 VanDerWaalsContact OG1-CD 3.24Å; T514-E564 PolarHBondContact OG1-OE1 2.86Å; T514-E564 PolarHBondContact OG1-OE2 3.02Å; I515-E564 WeakPolarHBondContact CB-OE2 3.1Å; I515-E564 WeakPolarHBondContact CG2-OE2 3.48Å; I515-E564 PolarHBondContact N-OE2 2.95Å; A560-E564 WeakPolarHBondContact O-CB 3.48Å; A560-E564 PolarHBondContact O-N 2.9Å; H561-E564 PolarHBondContact O-N 2.66Å
565	R	81	Confident	87.4	Confident	111 Å²	111	20.3 Å²	20.3	42%	0.419	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-55.5	177.6	-73.6	-157.5	177.7	178.1	-7.9	113.8	H561 N567	H561-R565 WeakPolarHBondContact CE1-CD 3.19Å; H561-R565 PolarHBondContact O-N 2.96Å; R565-N567 VanDerWaalsContact C-N 3.26Å; R565-N567 PolarHBondContact O-N 3.36Å
566	E	71.9	Confident	87.4	Confident	87 Å²	87	20.3 Å²	20.3	41%	0.407	9%	0.094	S	C	.	.	S	Bend	trans	-82.5	-4.9	-174.6	-61.9	-59.6	127.1	0	0	113.3	L562 I568	L562-E566 HydrophobicContact CD2-CG 4.38Å; L562-E566 WeakPolarHBondContact O-CB 3.44Å; L562-E566 PolarHBondContact O-N 3.47Å; E566-I568 HydrophobicContact CB-CD1 3.79Å; E566-I568 HydrophobicContact CB-CG1 3.84Å; E566-I568 PolarHBondContact O-N 3.36Å
567	N	79.6	Confident	87.3	Confident	99 Å²	99	22 Å²	22	53%	0.529	11%	0.105	S	C	.	.			trans	51.5	42	-172.1	-161.6	8.3	0	0	0	112.3	R479 L562 R565 W569	R479-N567 PolarHBondContact NH1-O 2.81Å; L562-N567 PolarHBondContact O-N 2.9Å; R565-N567 VanDerWaalsContact C-N 3.26Å; R565-N567 PolarHBondContact O-N 3.36Å; N567-W569 PolarHBondContact OD1-NE1 2.94Å
568	I	82.4	Confident	87.2	Confident	11 Å²	11	25.4 Å²	25.4	6%	0.056	13%	0.133	C	C	.	.			trans	-105.7	92.8	177	-59.1	176	0	0	0	108.5	Y535 L562 A563 E566 F572 Q649	Y535-I568 VanDerWaalsContact OH-CD1 3.26Å; Y535-I568 WeakPolarHBondContact OH-CD1 3.22Å; L562-I568 PolarHBondContact O-N 3.16Å; A563-I568 WeakPolarHBondContact CA-O 3.49Å; E566-I568 HydrophobicContact CB-CD1 3.79Å; E566-I568 HydrophobicContact CB-CG1 3.84Å; E566-I568 PolarHBondContact O-N 3.36Å; I568-F572 HydrophobicContact CG2-CE1 4.36Å; I568-F572 HydrophobicContact CG2-CZ 4.3Å; I568-F572 VanDerWaalsContact O-CZ 3.28Å; I568-F572 WeakPolarHBondContact O-CZ 3.43Å; I568-Q649 HydrophobicContact CG2-CB 4.29Å; I568-Q649 HydrophobicContact CG2-CG 4.01Å
569	W	82.6	Confident	87.2	Confident	22 Å²	22	30.6 Å²	30.6	8%	0.083	17%	0.17	C	C	.	.			trans	-80.5	-11.7	-179.6	-73.2	79	0	0	0	114.4	I515 A563 N567 F572 F595 Q622 H627	I515-W569 HydrophobicContact CD1-CH2 3.81Å; I515-W569 HydrophobicContact CD1-CZ3 4.24Å; A563-W569 HydrophobicContact CB-CD2 4.24Å; A563-W569 HydrophobicContact CB-CG 4.48Å; N567-W569 PolarHBondContact OD1-NE1 2.94Å; W569-F572 WeakPolarHBondContact O-CE2 3.45Å; W569-F595 AromaticContact CE3-CD1 3.99Å; W569-F595 HydrophobicContact CE3-CD1 3.99Å; W569-F595 AromaticContact CE3-CE1 3.86Å; W569-F595 HydrophobicContact CE3-CE1 3.86Å; W569-F595 HydrophobicContact CZ3-CD1 4.14Å; W569-F595 HydrophobicContact CZ3-CE1 4.19Å; W569-Q622 HydrophobicContact CD2-CB 4.13Å; W569-Q622 HydrophobicContact CD2-CG 4.06Å; W569-Q622 HydrophobicContact CE3-CG 4.21Å; W569-Q622 HydrophobicContact CG-CB 4.3Å; W569-Q622 HydrophobicContact CH2-CG 4.05Å; W569-Q622 HydrophobicContact CZ2-CG 3.88Å; W569-Q622 HydrophobicContact CZ3-CG 4.2Å; W569-H627 AromaticContact CE3-CE1 3.67Å; W569-H627 AromaticContact CE3-ND1 3.99Å; W569-H627 AromaticContact CZ3-CE1 3.8Å; W569-H627 WeakPolarHBondContact O-CB 3.3Å
570	G	80.5	Confident	87.2	Confident	3 Å²	3	32.4 Å²	32.4	3%	0.031	18%	0.181	C	C	.	.			trans	152.7	-164.8	179.4	0	0	0	0	0	113.9	Y620 Q649	G570-Y620 WeakPolarHBondContact O-CD1 3.36Å; G570-Q649 WeakPolarHBondContact O-CG 3.36Å
571	P	88.6	Confident	87.3	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.183	C	C	.	.			cis	-80.8	137	-1.4	32.4	-34.2	0	0	0	112.2	L619 Y620 V646 K647 W648 Q649	P571-L619 HydrophobicContact CG-CB 4.4Å; P571-Y620 VanDerWaalsContact CD-CD1 3.5Å; P571-Y620 HydrophobicContact CG-CE1 4.29Å; P571-V646 HydrophobicContact CG-CG1 3.94Å; P571-K647 WeakPolarHBondContact CG-O 3.19Å; P571-W648 HydrophobicContact CB-CE3 3.86Å; P571-W648 HydrophobicContact CB-CZ3 3.91Å; P571-W648 HydrophobicContact CG-CE3 4.2Å; P571-Q649 PolarHBondContact O-N 3.31Å
572	F	92.7	Very high	87.5	Confident	2 Å²	2	37 Å²	37	1%	0.009	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	139.8	178.2	-56.6	-52.3	0	0	0	111.7	L559 I568 W569 F595 H627 V628 V629 Q649	L559-F572 HydrophobicContact CB-CE2 4.41Å; L559-F572 HydrophobicContact CD2-CD1 3.75Å; L559-F572 HydrophobicContact CD2-CD2 4.07Å; L559-F572 HydrophobicContact CD2-CE1 3.79Å; L559-F572 HydrophobicContact CD2-CE2 4.11Å; L559-F572 HydrophobicContact CD2-CG 3.87Å; L559-F572 HydrophobicContact CD2-CZ 3.96Å; I568-F572 HydrophobicContact CG2-CE1 4.36Å; I568-F572 HydrophobicContact CG2-CZ 4.3Å; I568-F572 VanDerWaalsContact O-CZ 3.28Å; I568-F572 WeakPolarHBondContact O-CZ 3.43Å; W569-F572 WeakPolarHBondContact O-CE2 3.45Å; F572-F595 HydrophobicContact CE2-CZ 4.36Å; F572-H627 PolarHBondContact N-O 3.47Å; F572-V628 HydrophobicContact CB-CG2 4.31Å; F572-V628 HydrophobicContact CD2-CG2 4.1Å; F572-V629 PolarHBondContact O-N 2.89Å; F572-Q649 HydrophobicContact CD1-CB 4.21Å; F572-Q649 HydrophobicContact CE1-CB 4.04Å
573	L	93.5	Very high	87.8	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	122.3	-179.3	-176.5	56.6	0	0	0	111	I575 V629 T631 F643 W648 Y650 M651 V652	L573-I575 HydrophobicContact CD1-CG1 4.33Å; L573-I575 HydrophobicContact CD2-CD1 4.01Å; L573-I575 HydrophobicContact CD2-CG1 4.43Å; L573-I575 HydrophobicContact CG-CD1 4.06Å; L573-I575 HydrophobicContact CG-CG1 3.94Å; L573-V629 HydrophobicContact CD1-CB 4.23Å; L573-V629 HydrophobicContact CD1-CG1 4.27Å; L573-T631 HydrophobicContact CD1-CG2 3.75Å; L573-F643 HydrophobicContact CD1-CD1 4.06Å; L573-F643 HydrophobicContact CD1-CE1 3.74Å; L573-F643 HydrophobicContact CD2-CD1 4.19Å; L573-W648 HydrophobicContact CB-CD2 3.74Å; L573-W648 HydrophobicContact CB-CE3 3.58Å; L573-W648 HydrophobicContact CB-CG 4.18Å; L573-W648 HydrophobicContact CB-CZ3 4Å; L573-W648 HydrophobicContact CD1-CH2 4.25Å; L573-W648 HydrophobicContact CD1-CZ2 4.4Å; L573-W648 HydrophobicContact CD1-CZ3 4.4Å; L573-W648 HydrophobicContact CD2-CD2 4.04Å; L573-W648 HydrophobicContact CD2-CG 4.25Å; L573-W648 HydrophobicContact CD2-CZ2 4.33Å; L573-W648 HydrophobicContact CG-CD2 4.41Å; L573-Y650 PolarHBondContact N-O 3.26Å; L573-M651 HydrophobicContact CD2-CE 3.82Å; L573-M651 CarbonylContact O-C 3.57Å; L573-M651 WeakPolarHBondContact O-CA 3.11Å; L573-V652 PolarHBondContact O-N 2.89Å
574	I	95.1	Very high	88.2	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123	-179.4	-57	-176.8	0	0	0	108.8	L559 W584 F588 V628 V629 I630 T631 V652	L559-I574 HydrophobicContact CD1-CD1 4.16Å; I574-W584 HydrophobicContact CD1-CE3 4.26Å; I574-W584 HydrophobicContact CD1-CZ3 4.19Å; I574-W584 HydrophobicContact CG2-CD2 4.06Å; I574-W584 HydrophobicContact CG2-CE3 4Å; I574-W584 HydrophobicContact CG2-CH2 4.47Å; I574-W584 HydrophobicContact CG2-CZ3 4.21Å; I574-F588 HydrophobicContact CD1-CE2 3.34Å; I574-F588 HydrophobicContact CD1-CZ 3.47Å; I574-F588 VanDerWaalsContact CD1-CZ 3.47Å; I574-V628 HydrophobicContact CD1-CG1 3.53Å; I574-V628 HydrophobicContact CG1-CG1 4.02Å; I574-V629 PolarHBondContact N-O 3.04Å; I574-I630 HydrophobicContact CB-CG1 4.47Å; I574-I630 WeakPolarHBondContact O-CA 3.37Å; I574-T631 PolarHBondContact O-N 3.24Å; I574-V652 HydrophobicContact CG1-CB 4.14Å; I574-V652 HydrophobicContact CG1-CG2 4.24Å; I574-V652 HydrophobicContact CG2-CB 4.41Å
575	I	94.7	Very high	88.6	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	111.2	-171.8	-52.6	-179.8	0	0	0	107.9	L573 T631 Y633 V636 M651 V652 L653 D654 L670	L573-I575 HydrophobicContact CD1-CG1 4.33Å; L573-I575 HydrophobicContact CD2-CD1 4.01Å; L573-I575 HydrophobicContact CD2-CG1 4.43Å; L573-I575 HydrophobicContact CG-CD1 4.06Å; L573-I575 HydrophobicContact CG-CG1 3.94Å; I575-T631 WeakPolarHBondContact CA-O 3.39Å; I575-T631 HydrophobicContact CG1-CG2 3.95Å; I575-Y633 HydrophobicContact CG2-CD1 3.76Å; I575-Y633 HydrophobicContact CG2-CD2 4.1Å; I575-Y633 HydrophobicContact CG2-CE1 3.89Å; I575-Y633 HydrophobicContact CG2-CE2 4.22Å; I575-Y633 HydrophobicContact CG2-CG 3.87Å; I575-V636 HydrophobicContact CD1-CG1 4.48Å; I575-V636 HydrophobicContact CD1-CG2 4.11Å; I575-V636 HydrophobicContact CG1-CG2 4.33Å; I575-V636 HydrophobicContact CG2-CG2 4.28Å; I575-M651 HydrophobicContact CD1-CE 4.19Å; I575-M651 HydrophobicContact CD1-CG 4.43Å; I575-M651 HydrophobicContact CD1-SD 4.35Å; I575-V652 PolarHBondContact N-O 3.09Å; I575-L653 HydrophobicContact CB-CD2 3.87Å; I575-L653 HydrophobicContact CD1-CD2 4.14Å; I575-L653 HydrophobicContact CG1-CD2 4.5Å; I575-L653 HydrophobicContact CG2-CD2 4.07Å; I575-D654 PolarHBondContact O-N 3.3Å; I575-L670 HydrophobicContact CD1-CD2 3.41Å; I575-L670 VanDerWaalsContact CD1-CD2 3.41Å
576	S	93.1	Very high	89.2	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	170	-175.9	89.7	0	0	0	0	113	T580 L581 T631 S632	S576-T580 VanDerWaalsContact CB-OG1 3.25Å; S576-T580 WeakPolarHBondContact CB-OG1 3.31Å; S576-T580 PolarHBondContact OG-OG1 2.73Å; S576-L581 WeakPolarHBondContact OG-CD2 3.45Å; S576-T631 PolarHBondContact N-O 2.78Å; S576-S632 WeakPolarHBondContact O-CA 3.46Å
577	P	92.3	Very high	90.3	Very high	35 Å²	35	37.9 Å²	37.9	23%	0.227	22%	0.216	C	C	.	.			trans	-56.3	142.1	164.7	-24.8	35.1	0	0	0	111.4	S579 T580 E655	P577-S579 PolarHBondContact O-N 2.64Å; P577-T580 PolarHBondContact O-N 2.84Å; P577-T580 PolarHBondContact O-OG1 3.13Å; P577-E655 HydrophobicContact CG-CB 3.84Å; P577-E655 HydrophobicContact CG-CG 3.94Å
578	A	89.6	Confident	90.9	Very high	72 Å²	72	33.2 Å²	33.2	60%	0.595	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	-22.7	-177	0	0	0	0	0	114	L581	A578-L581 HydrophobicContact CB-CD1 4.35Å
579	S	89.3	Confident	91.4	Very high	109 Å²	109	36.7 Å²	36.7	76%	0.762	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-25.2	174.5	46.3	0	0	0	0	114.5	P577	P577-S579 PolarHBondContact O-N 2.64Å
580	T	91.3	Very high	91.9	Very high	39 Å²	39	43.2 Å²	43.2	24%	0.239	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-8.4	-177.4	66.1	0	0	0	0	113.6	S576 P577 N582 N583 W584 D654	S576-T580 VanDerWaalsContact CB-OG1 3.25Å; S576-T580 WeakPolarHBondContact CB-OG1 3.31Å; S576-T580 PolarHBondContact OG-OG1 2.73Å; P577-T580 PolarHBondContact O-N 2.84Å; P577-T580 PolarHBondContact O-OG1 3.13Å; T580-N582 VanDerWaalsContact C-N 3.32Å; T580-N582 PolarHBondContact O-N 3.5Å; T580-N583 WeakPolarHBondContact O-CA 3.23Å; T580-N583 WeakPolarHBondContact O-CB 3.28Å; T580-N583 PolarHBondContact O-N 2.79Å; T580-W584 PolarHBondContact O-N 3.26Å; T580-D654 PolarHBondContact OG1-OD2 2.65Å
581	L	92.1	Very high	92.4	Very high	10 Å²	10	44.3 Å²	44.3	5%	0.052	24%	0.241	C	C	.	.	H	α-helix	trans	-52.3	-46.4	-179	-60.7	171.9	0	0	0	113	S576 A578 N583 W584 H585 W601 I630 T631	S576-L581 WeakPolarHBondContact OG-CD2 3.45Å; A578-L581 HydrophobicContact CB-CD1 4.35Å; L581-N583 VanDerWaalsContact C-N 3.34Å; L581-W584 PolarHBondContact O-N 2.98Å; L581-H585 PolarHBondContact O-N 3.11Å; L581-W601 HydrophobicContact CB-CE3 4.03Å; L581-W601 HydrophobicContact CB-CZ3 3.78Å; L581-W601 HydrophobicContact CD1-CE3 4.04Å; L581-I630 HydrophobicContact CB-CG2 4.5Å; L581-I630 HydrophobicContact CD2-CG2 3.79Å; L581-T631 VanDerWaalsContact CD2-C 3.48Å; L581-T631 VanDerWaalsContact CD2-O 3.28Å; L581-T631 WeakPolarHBondContact CD2-O 3.22Å
582	N	91.4	Very high	92.5	Very high	95 Å²	95	44.3 Å²	44.3	51%	0.508	24%	0.241	S	C	.	.	H	α-helix	trans	-67.8	-34	178.4	-71.6	0.9	0	0	0	112.1	T580 H585 Q586 W601	T580-N582 VanDerWaalsContact C-N 3.32Å; T580-N582 PolarHBondContact O-N 3.5Å; N582-H585 PolarHBondContact O-N 2.92Å; N582-Q586 WeakPolarHBondContact O-CB 3.2Å; N582-Q586 VanDerWaalsContact O-CG 3.26Å; N582-Q586 WeakPolarHBondContact O-CG 3.41Å; N582-Q586 PolarHBondContact O-N 3.43Å; N582-W601 VanDerWaalsContact OD1-CH2 3.28Å; N582-W601 WeakPolarHBondContact OD1-CH2 3.18Å
583	N	92.7	Very high	92.3	Very high	77 Å²	77	47.7 Å²	47.7	41%	0.412	26%	0.263	S	S	.	.	H	α-helix	trans	-66.8	-48.2	175.7	-166.7	101.2	0	0	0	110.4	T580 L581 H585 Q586 E587	T580-N583 WeakPolarHBondContact O-CA 3.23Å; T580-N583 WeakPolarHBondContact O-CB 3.28Å; T580-N583 PolarHBondContact O-N 2.79Å; L581-N583 VanDerWaalsContact C-N 3.34Å; N583-H585 VanDerWaalsContact C-N 3.32Å; N583-H585 PolarHBondContact O-N 3.38Å; N583-Q586 PolarHBondContact O-N 3.31Å; N583-E587 VanDerWaalsContact O-CG 3.29Å; N583-E587 WeakPolarHBondContact O-CG 3.24Å; N583-E587 PolarHBondContact O-N 3.05Å
584	W	94.1	Very high	92	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-56	-45.7	174	-83.8	95.9	0	0	0	111.6	T552 I556 I574 T580 L581 E587 F588 I630 V652 D654 L681	T552-W584 HydrophobicContact CG2-CD2 3.83Å; T552-W584 HydrophobicContact CG2-CE3 3.69Å; T552-W584 HydrophobicContact CG2-CH2 3.97Å; T552-W584 HydrophobicContact CG2-CZ2 4.06Å; T552-W584 HydrophobicContact CG2-CZ3 3.78Å; I556-W584 HydrophobicContact CG1-CZ3 4.29Å; I574-W584 HydrophobicContact CD1-CE3 4.26Å; I574-W584 HydrophobicContact CD1-CZ3 4.19Å; I574-W584 HydrophobicContact CG2-CD2 4.06Å; I574-W584 HydrophobicContact CG2-CE3 4Å; I574-W584 HydrophobicContact CG2-CH2 4.47Å; I574-W584 HydrophobicContact CG2-CZ3 4.21Å; T580-W584 PolarHBondContact O-N 3.26Å; L581-W584 PolarHBondContact O-N 2.98Å; W584-E587 PolarHBondContact O-N 3.48Å; W584-F588 HydrophobicContact CE3-CD2 4.42Å; W584-F588 AromaticContact CE3-CE2 3.87Å; W584-F588 HydrophobicContact CE3-CE2 3.87Å; W584-F588 HydrophobicContact CZ3-CE2 4.27Å; W584-F588 VanDerWaalsContact O-CD2 3.31Å; W584-F588 WeakPolarHBondContact O-CD2 3.29Å; W584-F588 PolarHBondContact O-N 3.35Å; W584-I630 HydrophobicContact CB-CD1 4.07Å; W584-I630 HydrophobicContact CB-CG2 4.28Å; W584-V652 HydrophobicContact CH2-CG1 4.15Å; W584-D654 HydrophobicContact CZ2-CB 3.95Å; W584-D654 PolarHBondContact NE1-OD2 3.06Å; W584-L681 HydrophobicContact CH2-CD1 3.83Å; W584-L681 HydrophobicContact CZ2-CD1 3.74Å
585	H	93.3	Very high	91.7	Very high	56 Å²	56	54.7 Å²	54.7	26%	0.259	29%	0.294	S	S	.	.	H	α-helix	trans	-60	-47.6	175.9	-173.2	-53	0	0	0	112.3	L581 N582 N583 F588 T589 I630	L581-H585 PolarHBondContact O-N 3.11Å; N582-H585 PolarHBondContact O-N 2.92Å; N583-H585 VanDerWaalsContact C-N 3.32Å; N583-H585 PolarHBondContact O-N 3.38Å; H585-F588 PolarHBondContact O-N 3.23Å; H585-T589 PolarHBondContact ND1-OG1 2.98Å; H585-T589 PolarHBondContact O-N 2.75Å; H585-T589 PolarHBondContact O-OG1 3.36Å; H585-I630 HydrophobicContact CB-CD1 4.23Å
586	Q	93.3	Very high	91.5	Very high	125 Å²	125	58.5 Å²	58.5	58%	0.584	31%	0.31	S	S	*	.	H	α-helix	trans	-62.1	-43.9	179.7	-75.7	170.8	-3.2	0	0	112	N582 N583 F588 T589 R590	N582-Q586 WeakPolarHBondContact O-CB 3.2Å; N582-Q586 VanDerWaalsContact O-CG 3.26Å; N582-Q586 WeakPolarHBondContact O-CG 3.41Å; N582-Q586 PolarHBondContact O-N 3.43Å; N583-Q586 PolarHBondContact O-N 3.31Å; Q586-F588 PolarHBondContact O-N 3.49Å; Q586-T589 PolarHBondContact O-N 3.06Å; Q586-R590 VanDerWaalsContact O-CB 3.29Å; Q586-R590 WeakPolarHBondContact O-CB 3.44Å; Q586-R590 PolarHBondContact O-N 2.89Å
587	E	93.7	Very high	91.4	Very high	39 Å²	39	59.9 Å²	59.9	18%	0.182	32%	0.319	C	S	.	.	H	α-helix	trans	-69	-33.6	179.8	-62.3	-76.9	-131	0	0	111.6	T552 I556 N583 W584 R590 F591	T552-E587 HydrophobicContact CG2-CB 4.42Å; I556-E587 HydrophobicContact CD1-CB 3.95Å; N583-E587 VanDerWaalsContact O-CG 3.29Å; N583-E587 WeakPolarHBondContact O-CG 3.24Å; N583-E587 PolarHBondContact O-N 3.05Å; W584-E587 PolarHBondContact O-N 3.48Å; E587-R590 PolarHBondContact O-N 2.93Å; E587-R590 IonicContact OE1-NH1 3.74Å; E587-R590 VanDerWaalsContact OE2-CD 3.28Å; E587-R590 WeakPolarHBondContact OE2-CD 3.31Å; E587-R590 IonicContact OE2-CZ 3.89Å; E587-R590 IonicContact OE2-NH1 2.69Å; E587-R590 PolarHBondContact OE2-NH1 3.14Å; E587-F591 HydrophobicContact CB-CD2 4.07Å; E587-F591 HydrophobicContact CB-CE2 4.29Å; E587-F591 VanDerWaalsContact O-CB 3.32Å; E587-F591 WeakPolarHBondContact O-CB 3.3Å; E587-F591 VanDerWaalsContact O-CD2 3.23Å; E587-F591 WeakPolarHBondContact O-CD2 3.39Å; E587-F591 PolarHBondContact O-N 3.02Å; E587-F591 VanDerWaalsContact OE2-CE2 3.29Å; E587-F591 WeakPolarHBondContact OE2-CE2 3.3Å
588	F	93.3	Very high	91.3	Very high	1 Å²	1	59.8 Å²	59.8	0%	0.004	32%	0.316	C	S	.	.	H	α-helix	trans	-63.9	-48.6	168.3	-92.3	-74.6	0	0	0	112.5	I556 L559 I574 W584 H585 Q586 R590 F591 V592 F595 V597 V628 I630	I556-F588 HydrophobicContact CD1-CD2 4.15Å; I556-F588 HydrophobicContact CD1-CE2 4.25Å; I556-F588 HydrophobicContact CD1-CG 4.29Å; I556-F588 HydrophobicContact CG1-CD1 4.28Å; I556-F588 HydrophobicContact CG1-CD2 4.25Å; I556-F588 HydrophobicContact CG1-CE1 3.95Å; I556-F588 HydrophobicContact CG1-CE2 3.89Å; I556-F588 HydrophobicContact CG1-CG 4.42Å; I556-F588 HydrophobicContact CG1-CZ 3.74Å; I556-F588 HydrophobicContact CG2-CD1 4.32Å; I556-F588 HydrophobicContact CG2-CE1 4.22Å; L559-F588 HydrophobicContact CD1-CZ 4Å; I574-F588 HydrophobicContact CD1-CE2 3.34Å; I574-F588 HydrophobicContact CD1-CZ 3.47Å; I574-F588 VanDerWaalsContact CD1-CZ 3.47Å; W584-F588 HydrophobicContact CE3-CD2 4.42Å; W584-F588 AromaticContact CE3-CE2 3.87Å; W584-F588 HydrophobicContact CE3-CE2 3.87Å; W584-F588 HydrophobicContact CZ3-CE2 4.27Å; W584-F588 VanDerWaalsContact O-CD2 3.31Å; W584-F588 WeakPolarHBondContact O-CD2 3.29Å; W584-F588 PolarHBondContact O-N 3.35Å; H585-F588 PolarHBondContact O-N 3.23Å; Q586-F588 PolarHBondContact O-N 3.49Å; F588-R590 PolarHBondContact O-N 3.31Å; F588-F591 PolarHBondContact O-N 3.33Å; F588-V592 CarbonylContact O-C 3.59Å; F588-V592 VanDerWaalsContact O-C 3.27Å; F588-V592 PolarHBondContact O-N 3.03Å; F588-F595 HydrophobicContact CD1-CD2 4.18Å; F588-F595 AromaticContact CE1-CD2 3.98Å; F588-F595 HydrophobicContact CE1-CD2 3.98Å; F588-V597 HydrophobicContact CB-CG2 3.73Å; F588-V597 HydrophobicContact CD1-CG2 4.07Å; F588-V597 HydrophobicContact CG-CG2 3.87Å; F588-V628 HydrophobicContact CE1-CG2 3.99Å; F588-V628 HydrophobicContact CE2-CG1 4.09Å; F588-V628 HydrophobicContact CZ-CG1 3.99Å; F588-V628 HydrophobicContact CZ-CG2 4.15Å; F588-I630 HydrophobicContact CD2-CD1 4.06Å; F588-I630 HydrophobicContact CE2-CD1 4.49Å
589	T	92.4	Very high	91.4	Very high	83 Å²	83	57.9 Å²	57.9	51%	0.509	30%	0.298	S	S	.	.	H	α-helix	trans	-58.7	-34	178.1	-53.7	0	0	0	0	111.8	H585 Q586	H585-T589 PolarHBondContact ND1-OG1 2.98Å; H585-T589 PolarHBondContact O-N 2.75Å; H585-T589 PolarHBondContact O-OG1 3.36Å; Q586-T589 PolarHBondContact O-N 3.06Å
590	R	92.5	Very high	91.4	Very high	160 Å²	160	52.7 Å²	52.7	60%	0.604	26%	0.261	S	S	*	.	H	α-helix	trans	-75.8	-53.3	177.9	-176.1	-171.4	-172.3	-175.2	2.7	113	Q586 E587 F588	Q586-R590 VanDerWaalsContact O-CB 3.29Å; Q586-R590 WeakPolarHBondContact O-CB 3.44Å; Q586-R590 PolarHBondContact O-N 2.89Å; E587-R590 PolarHBondContact O-N 2.93Å; E587-R590 IonicContact OE1-NH1 3.74Å; E587-R590 VanDerWaalsContact OE2-CD 3.28Å; E587-R590 WeakPolarHBondContact OE2-CD 3.31Å; E587-R590 IonicContact OE2-CZ 3.89Å; E587-R590 IonicContact OE2-NH1 2.69Å; E587-R590 PolarHBondContact OE2-NH1 3.14Å; F588-R590 PolarHBondContact O-N 3.31Å
591	F	91.4	Very high	91.3	Very high	25 Å²	25	55 Å²	55	11%	0.11	27%	0.266	C	S	.	.	H	α-helix	trans	-89.9	-30.9	-169	-70.3	-61.7	0	0	0	114	F516 N517 V553 I556 E587 F588	F516-F591 CarbonylContact C-O 3.56Å; F516-F591 WeakPolarHBondContact CA-O 3.43Å; F516-F591 HydrophobicContact CD2-CB 4.01Å; F516-F591 HydrophobicContact CE1-CD1 4.22Å; F516-F591 HydrophobicContact CE2-CB 3.62Å; F516-F591 AromaticContact CE2-CD1 3.83Å; F516-F591 HydrophobicContact CE2-CD1 3.83Å; F516-F591 AromaticContact CE2-CG 3.77Å; F516-F591 HydrophobicContact CE2-CG 3.77Å; F516-F591 HydrophobicContact CZ-CB 4.25Å; F516-F591 AromaticContact CZ-CD1 3.54Å; F516-F591 HydrophobicContact CZ-CD1 3.54Å; F516-F591 HydrophobicContact CZ-CE1 4.03Å; F516-F591 AromaticContact CZ-CG 3.95Å; F516-F591 HydrophobicContact CZ-CG 3.95Å; N517-F591 PolarHBondContact N-O 3.46Å; N517-F591 WeakPolarHBondContact O-CD1 3.21Å; V553-F591 HydrophobicContact CG1-CE2 4.36Å; V553-F591 HydrophobicContact CG1-CZ 4.39Å; V553-F591 HydrophobicContact CG2-CE2 3.88Å; V553-F591 HydrophobicContact CG2-CZ 4.27Å; I556-F591 HydrophobicContact CG2-CB 4.16Å; E587-F591 HydrophobicContact CB-CD2 4.07Å; E587-F591 HydrophobicContact CB-CE2 4.29Å; E587-F591 VanDerWaalsContact O-CB 3.32Å; E587-F591 WeakPolarHBondContact O-CB 3.3Å; E587-F591 VanDerWaalsContact O-CD2 3.23Å; E587-F591 WeakPolarHBondContact O-CD2 3.39Å; E587-F591 PolarHBondContact O-N 3.02Å; E587-F591 VanDerWaalsContact OE2-CE2 3.29Å; E587-F591 WeakPolarHBondContact OE2-CE2 3.3Å; F588-F591 PolarHBondContact O-N 3.33Å
592	V	91.1	Very high	91.1	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.279	C	S	.	.			trans	-140.2	68.7	-179.2	-167.3	0	0	0	0	110.4	I515 F516 I556 A560 F588 K594 F595	I515-V592 HydrophobicContact CD1-CG1 4.4Å; I515-V592 HydrophobicContact CG1-CG1 4.13Å; I515-V592 HydrophobicContact CG2-CG1 4.34Å; F516-V592 HydrophobicContact CD2-CG2 4.11Å; I556-V592 HydrophobicContact CG2-CB 4.42Å; I556-V592 HydrophobicContact CG2-CG2 3.44Å; I556-V592 VanDerWaalsContact CG2-CG2 3.44Å; A560-V592 HydrophobicContact CB-CG2 4.08Å; F588-V592 CarbonylContact O-C 3.59Å; F588-V592 VanDerWaalsContact O-C 3.27Å; F588-V592 PolarHBondContact O-N 3.03Å; V592-K594 PolarHBondContact O-N 2.69Å; V592-K594 VanDerWaalsContact O-N 3.08Å; V592-F595 HydrophobicContact CB-CD2 3.86Å; V592-F595 HydrophobicContact CB-CE2 4.39Å; V592-F595 HydrophobicContact CG1-CB 4.41Å; V592-F595 HydrophobicContact CG1-CD2 3.36Å; V592-F595 HydrophobicContact CG1-CE2 3.72Å; V592-F595 HydrophobicContact CG1-CG 3.9Å; V592-F595 PolarHBondContact O-N 3.37Å
593	P	88	Confident	91.1	Very high	73 Å²	73	56.6 Å²	56.6	47%	0.474	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-12.9	-177.1	26.5	-35.5	0	0	0	114.2	N517 F595	N517-P593 WeakPolarHBondContact ND2-CD 3.47Å; N517-P593 WeakPolarHBondContact ND2-CG 3.31Å; P593-F595 VanDerWaalsContact C-N 3.27Å; P593-F595 PolarHBondContact O-N 3.34Å
594	K	87.3	Confident	90.9	Very high	136 Å²	136	57.3 Å²	57.3	59%	0.591	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-17.1	172.2	-59.8	-161.3	-159.2	168.6	0	113.3	I515 V592 H627	I515-K594 HydrophobicContact CD1-CB 3.95Å; I515-K594 HydrophobicContact CD1-CD 3.96Å; I515-K594 HydrophobicContact CD1-CG 4.37Å; I515-K594 HydrophobicContact CG1-CB 4.08Å; I515-K594 HydrophobicContact CG1-CD 3.77Å; I515-K594 HydrophobicContact CG1-CG 4.08Å; V592-K594 PolarHBondContact O-N 2.69Å; V592-K594 VanDerWaalsContact O-N 3.08Å; K594-H627 PolarHBondContact O-CE1 2.87Å
595	F	89.4	Confident	90.7	Very high	11 Å²	11	63.6 Å²	63.6	5%	0.048	32%	0.32	C	S	.	.	S	Bend	trans	-82.8	124.5	175.5	-77.8	-37.6	0	0	0	112.1	L559 A563 W569 F572 F588 V592 P593 V597 H627 V628	L559-F595 HydrophobicContact CB-CE2 4.21Å; A563-F595 HydrophobicContact CB-CE1 3.68Å; A563-F595 HydrophobicContact CB-CZ 3.64Å; W569-F595 AromaticContact CE3-CD1 3.99Å; W569-F595 HydrophobicContact CE3-CD1 3.99Å; W569-F595 AromaticContact CE3-CE1 3.86Å; W569-F595 HydrophobicContact CE3-CE1 3.86Å; W569-F595 HydrophobicContact CZ3-CD1 4.14Å; W569-F595 HydrophobicContact CZ3-CE1 4.19Å; F572-F595 HydrophobicContact CE2-CZ 4.36Å; F588-F595 HydrophobicContact CD1-CD2 4.18Å; F588-F595 AromaticContact CE1-CD2 3.98Å; F588-F595 HydrophobicContact CE1-CD2 3.98Å; V592-F595 HydrophobicContact CB-CD2 3.86Å; V592-F595 HydrophobicContact CB-CE2 4.39Å; V592-F595 HydrophobicContact CG1-CB 4.41Å; V592-F595 HydrophobicContact CG1-CD2 3.36Å; V592-F595 HydrophobicContact CG1-CE2 3.72Å; V592-F595 HydrophobicContact CG1-CG 3.9Å; V592-F595 PolarHBondContact O-N 3.37Å; P593-F595 VanDerWaalsContact C-N 3.27Å; P593-F595 PolarHBondContact O-N 3.34Å; F595-V597 HydrophobicContact CB-CG2 4.34Å; F595-V597 PolarHBondContact O-N 3.24Å; F595-V597 VanDerWaalsContact O-N 3.12Å; F595-H627 HydrophobicContact CD1-CB 3.98Å; F595-H627 AromaticContact CD1-ND1 3.8Å; F595-V628 HydrophobicContact CD2-CG2 4.49Å
596	K	89.2	Confident	90.5	Very high	80 Å²	80	63.9 Å²	63.9	35%	0.348	32%	0.324	S	S	.	.			trans	-73.4	98.9	170.1	-63.5	164.1	-176.9	160.4	0	109	Q622 D623 A624 F626 H627 V628	K596-Q622 PolarHBondContact NZ-O 3.31Å; K596-D623 VanDerWaalsContact NZ-C 3.31Å; K596-D623 PolarHBondContact NZ-O 3.5Å; K596-A624 WeakPolarHBondContact CD-O 3.12Å; K596-A624 WeakPolarHBondContact CE-O 3.46Å; K596-A624 PolarHBondContact NZ-O 3Å; K596-F626 WeakPolarHBondContact O-CA 3.34Å; K596-H627 PolarHBondContact N-ND1 3.39Å; K596-H627 PolarHBondContact O-N 2.96Å; K596-V628 PolarHBondContact O-N 3.38Å
597	V	91.4	Very high	90.4	Very high	30 Å²	30	59 Å²	59	18%	0.182	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	128.8	-177.3	176	0	0	0	0	110.5	F588 F595 P599 V628 I630	F588-V597 HydrophobicContact CB-CG2 3.73Å; F588-V597 HydrophobicContact CD1-CG2 4.07Å; F588-V597 HydrophobicContact CG-CG2 3.87Å; F595-V597 HydrophobicContact CB-CG2 4.34Å; F595-V597 PolarHBondContact O-N 3.24Å; F595-V597 VanDerWaalsContact O-N 3.12Å; V597-P599 WeakPolarHBondContact O-CD 3.24Å; V597-V628 HydrophobicContact CG2-CB 4.21Å; V597-I630 HydrophobicContact CG1-CD1 3.44Å; V597-I630 VanDerWaalsContact CG1-CD1 3.44Å; V597-I630 HydrophobicContact CG1-CG1 3.95Å
598	L	90.1	Very high	90.1	Very high	32 Å²	32	64 Å²	64	17%	0.168	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	104.7	-178.9	178.7	58.2	0	0	0	111.1	Y600 I610 F626 V628 V629 I630	L598-Y600 PolarHBondContact O-N 3.44Å; L598-I610 HydrophobicContact CD1-CG2 3.98Å; L598-I610 HydrophobicContact CD2-CG2 3.87Å; L598-I610 HydrophobicContact CG-CG2 4.16Å; L598-F626 HydrophobicContact CB-CB 3.63Å; L598-F626 HydrophobicContact CB-CD2 4.44Å; L598-F626 HydrophobicContact CB-CG 4.02Å; L598-F626 HydrophobicContact CD2-CB 3.99Å; L598-F626 HydrophobicContact CD2-CD1 3.48Å; L598-F626 VanDerWaalsContact CD2-CD1 3.48Å; L598-F626 HydrophobicContact CD2-CD2 4.08Å; L598-F626 HydrophobicContact CD2-CE1 3.95Å; L598-F626 HydrophobicContact CD2-CE2 4.48Å; L598-F626 HydrophobicContact CD2-CG 3.56Å; L598-F626 HydrophobicContact CD2-CZ 4.42Å; L598-F626 HydrophobicContact CG-CB 4.45Å; L598-F626 HydrophobicContact CG-CG 4.47Å; L598-V628 PolarHBondContact N-O 3.28Å; L598-V629 HydrophobicContact CB-CG2 4.46Å; L598-V629 HydrophobicContact CD2-CG2 4.36Å; L598-V629 WeakPolarHBondContact O-CA 3.4Å; L598-I630 PolarHBondContact O-N 2.99Å; L598-I630 VanDerWaalsContact O-N 3.11Å
599	P	91.2	Very high	89.7	Confident	32 Å²	32	66.7 Å²	66.7	21%	0.208	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	118.9	172.7	26.6	-32.3	0	0	0	111.9	V597 W601	V597-P599 WeakPolarHBondContact O-CD 3.24Å; P599-W601 HydrophobicContact CB-CD2 3.82Å; P599-W601 HydrophobicContact CB-CE3 3.54Å; P599-W601 HydrophobicContact CB-CH2 3.32Å; P599-W601 HydrophobicContact CB-CZ2 3.57Å; P599-W601 HydrophobicContact CB-CZ3 3.28Å; P599-W601 HydrophobicContact CG-CH2 4.23Å; P599-W601 HydrophobicContact CG-CZ2 4.19Å
600	Y	90.9	Very high	89.4	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.32	C	S	.	.			trans	-99.9	83.7	175.9	-165.7	-89.4	0	0	0	110.8	L598 R607 I610 R611 W614 I630 L635 D639 F643	L598-Y600 PolarHBondContact O-N 3.44Å; Y600-R607 HydrophobicContact CD1-CG 4.47Å; Y600-R607 VanDerWaalsContact CE1-CD 3.41Å; Y600-R607 HydrophobicContact CE1-CG 3.92Å; Y600-R607 HydrophobicContact CE2-CB 4.32Å; Y600-R607 HydrophobicContact CE2-CG 4.15Å; Y600-I610 HydrophobicContact CD2-CG2 3.84Å; Y600-I610 HydrophobicContact CE2-CG2 4.18Å; Y600-R611 HydrophobicContact CE2-CG 4.33Å; Y600-W614 HydrophobicContact CD2-CZ2 4.01Å; Y600-W614 HydrophobicContact CE2-CH2 4.35Å; Y600-W614 HydrophobicContact CE2-CZ2 4.11Å; Y600-I630 PolarHBondContact N-O 3.32Å; Y600-L635 HydrophobicContact CD1-CB 4.47Å; Y600-L635 HydrophobicContact CD1-CD1 4.48Å; Y600-L635 WeakPolarHBondContact O-CD1 3.39Å; Y600-D639 HydrophobicContact CE1-CB 4.38Å; Y600-D639 WeakPolarHBondContact CE1-OD2 3.44Å; Y600-D639 PolarHBondContact OH-OD2 3.45Å; Y600-F643 HydrophobicContact CD1-CE2 4.11Å; Y600-F643 AromaticContact CD1-CZ 3.79Å; Y600-F643 HydrophobicContact CD1-CZ 3.79Å; Y600-F643 HydrophobicContact CD2-CZ 4.45Å; Y600-F643 AromaticContact CE1-CE2 3.81Å; Y600-F643 HydrophobicContact CE1-CE2 3.81Å; Y600-F643 AromaticContact CE1-CZ 3.97Å; Y600-F643 HydrophobicContact CE1-CZ 3.97Å; Y600-F643 HydrophobicContact CG-CZ 4.06Å
601	W	88.3	Confident	89	Confident	87 Å²	87	58.6 Å²	58.6	33%	0.33	30%	0.299	S	S	.	.			trans	-140.3	-171.7	172.6	58.8	65.9	0	0	0	112	L581 N582 P599 L635	L581-W601 HydrophobicContact CB-CE3 4.03Å; L581-W601 HydrophobicContact CB-CZ3 3.78Å; L581-W601 HydrophobicContact CD1-CE3 4.04Å; N582-W601 VanDerWaalsContact OD1-CH2 3.28Å; N582-W601 WeakPolarHBondContact OD1-CH2 3.18Å; P599-W601 HydrophobicContact CB-CD2 3.82Å; P599-W601 HydrophobicContact CB-CE3 3.54Å; P599-W601 HydrophobicContact CB-CH2 3.32Å; P599-W601 HydrophobicContact CB-CZ2 3.57Å; P599-W601 HydrophobicContact CB-CZ3 3.28Å; P599-W601 HydrophobicContact CG-CH2 4.23Å; P599-W601 HydrophobicContact CG-CZ2 4.19Å; W601-L635 HydrophobicContact CB-CD1 4.26Å
602	G	88.3	Confident	88.4	Confident	33 Å²	33	66.7 Å²	66.7	34%	0.34	33%	0.329	S	S	.	.	S	Bend	trans	86	-165.1	176.6	0	0	0	0	0	115.8	R607	G602-R607 PolarHBondContact O-NE 2.83Å; G602-R607 PolarHBondContact O-NH2 3.35Å
603	N	90.9	Very high	87.5	Confident	106 Å²	106	72.2 Å²	72.2	57%	0.567	35%	0.354	S	S	*	.			trans	-72.8	164.5	-170.4	-64.3	-42.1	0	0	0	112	H605 D606 R607	N603-H605 PolarHBondContact O-N 2.89Å; N603-D606 WeakPolarHBondContact CB-OD2 3.38Å; N603-D606 PolarHBondContact N-OD2 2.97Å; N603-D606 PolarHBondContact O-N 3.43Å; N603-R607 WeakPolarHBondContact O-CB 3.35Å; N603-R607 PolarHBondContact O-N 2.82Å
604	P	89.6	Confident	86.8	Confident	92 Å²	92	70.4 Å²	70.4	60%	0.597	34%	0.337	S	S	*	.	H	α-helix	trans	-58.8	-26.1	175.1	-25.6	36	0	0	0	113.8	K608	P604-K608 VanDerWaalsContact O-CB 3.3Å; P604-K608 WeakPolarHBondContact O-CB 3.45Å; P604-K608 PolarHBondContact O-N 3.21Å; P604-K608 VanDerWaalsContact O-N 3.09Å
605	H	90.1	Very high	85.7	Confident	134 Å²	134	66.6 Å²	66.6	62%	0.62	33%	0.328	S	S	*	.	H	α-helix	trans	-70.1	-55	174.7	-173	97.9	0	0	0	111.2	N603 R607 K608 V609	N603-H605 PolarHBondContact O-N 2.89Å; H605-R607 VanDerWaalsContact C-N 3.31Å; H605-R607 PolarHBondContact O-N 2.92Å; H605-K608 CarbonylContact O-C 3.55Å; H605-K608 VanDerWaalsContact O-CA 3.31Å; H605-K608 WeakPolarHBondContact O-CA 3.4Å; H605-K608 VanDerWaalsContact O-CB 3.26Å; H605-K608 WeakPolarHBondContact O-CB 3.45Å; H605-K608 PolarHBondContact O-N 3.14Å; H605-V609 PolarHBondContact O-N 3.11Å
606	D	88.8	Confident	84.4	Confident	62 Å²	62	72.4 Å²	72.4	33%	0.332	36%	0.355	S	S	.	.	H	α-helix	trans	-56.8	-47.6	179.5	-30.1	-21.3	0	0	0	109.8	N603 K608 V609 I610	N603-D606 WeakPolarHBondContact CB-OD2 3.38Å; N603-D606 PolarHBondContact N-OD2 2.97Å; N603-D606 PolarHBondContact O-N 3.43Å; D606-K608 PolarHBondContact O-N 2.73Å; D606-V609 WeakPolarHBondContact O-CB 3.13Å; D606-V609 PolarHBondContact O-N 3.36Å; D606-I610 WeakPolarHBondContact O-CG1 3.01Å; D606-I610 PolarHBondContact O-N 3.08Å
607	R	89.6	Confident	82.9	Confident	22 Å²	22	76.3 Å²	76.3	8%	0.083	37%	0.372	C	S	.	.	H	α-helix	trans	-61.4	-26.8	172.1	-73.3	-175.1	-85.4	163.5	-16.2	113.7	Y600 G602 N603 H605 R611 D639	Y600-R607 HydrophobicContact CD1-CG 4.47Å; Y600-R607 VanDerWaalsContact CE1-CD 3.41Å; Y600-R607 HydrophobicContact CE1-CG 3.92Å; Y600-R607 HydrophobicContact CE2-CB 4.32Å; Y600-R607 HydrophobicContact CE2-CG 4.15Å; G602-R607 PolarHBondContact O-NE 2.83Å; G602-R607 PolarHBondContact O-NH2 3.35Å; N603-R607 WeakPolarHBondContact O-CB 3.35Å; N603-R607 PolarHBondContact O-N 2.82Å; H605-R607 VanDerWaalsContact C-N 3.31Å; H605-R607 PolarHBondContact O-N 2.92Å; R607-R611 WeakPolarHBondContact O-CB 3.4Å; R607-R611 VanDerWaalsContact O-CG 3.3Å; R607-R611 WeakPolarHBondContact O-CG 3.48Å; R607-R611 PolarHBondContact O-N 2.67Å; R607-R611 VanDerWaalsContact O-N 3.13Å; R607-R611 PolarHBondContact O-NE 2.88Å; R607-D639 WeakPolarHBondContact CD-OD2 3.45Å; R607-D639 IonicContact CZ-OD2 3.58Å; R607-D639 IonicContact NE-OD2 3.74Å; R607-D639 IonicContact NH1-OD2 2.73Å; R607-D639 PolarHBondContact NH1-OD2 2.91Å
608	K	87.6	Confident	81.5	Confident	144 Å²	144	77.2 Å²	77.2	63%	0.626	38%	0.378	S	S	*	.	H	α-helix	trans	-76.7	-32.9	173.7	-174	-177.7	179.5	-174.8	0	111.6	P604 H605 D606	P604-K608 VanDerWaalsContact O-CB 3.3Å; P604-K608 WeakPolarHBondContact O-CB 3.45Å; P604-K608 PolarHBondContact O-N 3.21Å; P604-K608 VanDerWaalsContact O-N 3.09Å; H605-K608 CarbonylContact O-C 3.55Å; H605-K608 VanDerWaalsContact O-CA 3.31Å; H605-K608 WeakPolarHBondContact O-CA 3.4Å; H605-K608 VanDerWaalsContact O-CB 3.26Å; H605-K608 WeakPolarHBondContact O-CB 3.45Å; H605-K608 PolarHBondContact O-N 3.14Å; D606-K608 PolarHBondContact O-N 2.73Å
609	V	86.6	Confident	80.5	Confident	58 Å²	58	76 Å²	76	35%	0.352	37%	0.371	S	S	.	.	H	α-helix	trans	-66.4	-51	170.4	178.4	0	0	0	0	109.9	H605 D606 R611 R612 F613	H605-V609 PolarHBondContact O-N 3.11Å; D606-V609 WeakPolarHBondContact O-CB 3.13Å; D606-V609 PolarHBondContact O-N 3.36Å; V609-R611 VanDerWaalsContact C-N 3.28Å; V609-R611 PolarHBondContact O-N 3.26Å; V609-R612 VanDerWaalsContact O-CB 3.29Å; V609-R612 WeakPolarHBondContact O-CB 3.43Å; V609-R612 PolarHBondContact O-N 3.49Å; V609-F613 HydrophobicContact CG1-CE2 4.36Å
610	I	85.4	Confident	79.4	Confident	27 Å²	27	75.5 Å²	75.5	14%	0.138	37%	0.365	C	S	.	.	H	α-helix	trans	-54.4	-44.1	177.5	-66.6	164.3	0	0	0	111.5	L598 Y600 D606 R612 F613	L598-I610 HydrophobicContact CD1-CG2 3.98Å; L598-I610 HydrophobicContact CD2-CG2 3.87Å; L598-I610 HydrophobicContact CG-CG2 4.16Å; Y600-I610 HydrophobicContact CD2-CG2 3.84Å; Y600-I610 HydrophobicContact CE2-CG2 4.18Å; D606-I610 WeakPolarHBondContact O-CG1 3.01Å; D606-I610 PolarHBondContact O-N 3.08Å; I610-R612 PolarHBondContact O-N 2.7Å; I610-R612 VanDerWaalsContact O-N 3.15Å; I610-F613 PolarHBondContact O-N 3.49Å; I610-F613 VanDerWaalsContact O-N 3.12Å
611	R	83.9	Confident	78.4	Confident	46 Å²	46	76.7 Å²	76.7	17%	0.174	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-65.7	-10.6	177.9	-80.6	176.3	-74.6	-156.1	-9.4	115.3	Y600 R607 V609 F613 W614 D639	Y600-R611 HydrophobicContact CE2-CG 4.33Å; R607-R611 WeakPolarHBondContact O-CB 3.4Å; R607-R611 VanDerWaalsContact O-CG 3.3Å; R607-R611 WeakPolarHBondContact O-CG 3.48Å; R607-R611 PolarHBondContact O-N 2.67Å; R607-R611 VanDerWaalsContact O-N 3.13Å; R607-R611 PolarHBondContact O-NE 2.88Å; V609-R611 VanDerWaalsContact C-N 3.28Å; V609-R611 PolarHBondContact O-N 3.26Å; R611-F613 VanDerWaalsContact C-N 3.27Å; R611-W614 HydrophobicContact CG-CD2 4.47Å; R611-W614 HydrophobicContact CG-CE3 4.45Å; R611-D639 IonicContact CZ-OD1 2.88Å; R611-D639 IonicContact NH1-OD1 3.27Å; R611-D639 PolarHBondContact NH1-OD1 3.31Å; R611-D639 IonicContact NH1-OD2 2.81Å; R611-D639 IonicContact NH2-OD1 2.59Å
612	R	79.8	Confident	77.5	Confident	196 Å²	196	77.7 Å²	77.7	74%	0.74	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-68.6	-28.4	170.7	-69.3	177.9	167.9	172	-5.8	112.2	V609 I610 W614	V609-R612 VanDerWaalsContact O-CB 3.29Å; V609-R612 WeakPolarHBondContact O-CB 3.43Å; V609-R612 PolarHBondContact O-N 3.49Å; I610-R612 PolarHBondContact O-N 2.7Å; I610-R612 VanDerWaalsContact O-N 3.15Å; R612-W614 VanDerWaalsContact C-N 3.3Å; R612-W614 PolarHBondContact O-N 3.08Å
613	F	71.6	Confident	76.7	Confident	116 Å²	116	82.7 Å²	82.7	51%	0.509	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-86.5	2.4	-178.5	-56.8	-80.5	0	0	0	113.3	V609 I610 R611 S615 P625	V609-F613 HydrophobicContact CG1-CE2 4.36Å; I610-F613 PolarHBondContact O-N 3.49Å; I610-F613 VanDerWaalsContact O-N 3.12Å; R611-F613 VanDerWaalsContact C-N 3.27Å; F613-S615 VanDerWaalsContact C-N 3.33Å; F613-S615 PolarHBondContact O-N 3.03Å; F613-P625 HydrophobicContact CB-CB 4.42Å
614	W	73.8	Confident	76	Confident	34 Å²	34	77.7 Å²	77.7	13%	0.129	37%	0.374	C	S	.	.			trans	-90.2	59.2	-179.7	-75	20.3	0	0	0	112	Y600 R611 R612 F626 V629 F643 V646	Y600-W614 HydrophobicContact CD2-CZ2 4.01Å; Y600-W614 HydrophobicContact CE2-CH2 4.35Å; Y600-W614 HydrophobicContact CE2-CZ2 4.11Å; R611-W614 HydrophobicContact CG-CD2 4.47Å; R611-W614 HydrophobicContact CG-CE3 4.45Å; R612-W614 VanDerWaalsContact C-N 3.3Å; R612-W614 PolarHBondContact O-N 3.08Å; W614-F626 AromaticContact CD1-CE1 3.41Å; W614-F626 VanDerWaalsContact CD1-CE1 3.41Å; W614-F626 AromaticContact CD1-CZ 3.52Å; W614-F626 HydrophobicContact CG-CE1 4.38Å; W614-F626 HydrophobicContact CG-CZ 4.24Å; W614-F626 AromaticContact NE1-CE1 3.73Å; W614-F626 AromaticContact NE1-CZ 3.56Å; W614-V629 HydrophobicContact CZ2-CG1 4.5Å; W614-F643 AromaticContact CH2-CD1 3.81Å; W614-F643 HydrophobicContact CH2-CD1 3.81Å; W614-F643 HydrophobicContact CH2-CD2 4.13Å; W614-F643 AromaticContact CH2-CE1 3.63Å; W614-F643 HydrophobicContact CH2-CE1 3.63Å; W614-F643 AromaticContact CH2-CE2 3.96Å; W614-F643 HydrophobicContact CH2-CE2 3.96Å; W614-F643 HydrophobicContact CH2-CG 4.06Å; W614-F643 AromaticContact CH2-CZ 3.71Å; W614-F643 HydrophobicContact CH2-CZ 3.71Å; W614-F643 HydrophobicContact CZ2-CE1 4.24Å; W614-F643 HydrophobicContact CZ2-CZ 4.31Å; W614-F643 HydrophobicContact CZ3-CD1 4.49Å; W614-F643 HydrophobicContact CZ3-CG 4.41Å; W614-V646 HydrophobicContact CE3-CG2 4.41Å
615	S	63.8	Low	75.5	Confident	57 Å²	57	76.2 Å²	76.2	40%	0.399	36%	0.364	S	S	.	.			trans	-86.8	113.2	173.6	47.8	0	0	0	0	111.3	F613 K617 T618 L619	F613-S615 VanDerWaalsContact C-N 3.33Å; F613-S615 PolarHBondContact O-N 3.03Å; S615-K617 PolarHBondContact O-N 3.37Å; S615-T618 PolarHBondContact O-N 3.07Å; S615-T618 PolarHBondContact O-OG1 3.26Å; S615-T618 PolarHBondContact OG-OG1 3.42Å; S615-L619 WeakPolarHBondContact O-CG 3.49Å
616	Q	62	Low	75.3	Confident	133 Å²	133	70 Å²	70	62%	0.621	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-53.9	-26.6	-175.7	-72.3	171.2	-44.2	0	0	114.9	T618 R645	Q616-T618 VanDerWaalsContact C-N 3.3Å; Q616-T618 PolarHBondContact O-N 2.9Å; Q616-R645 PolarHBondContact NE2-O 3.39Å
617	K	57.9	Low	75.3	Confident	161 Å²	161	67.3 Å²	67.3	70%	0.7	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-75.4	-6.1	-174.2	-63	-165.9	175.4	-168.3	0	115.6	A482 S615	A482-K617 WeakPolarHBondContact CA-O 3.16Å; A482-K617 WeakPolarHBondContact CB-O 3.45Å; S615-K617 PolarHBondContact O-N 3.37Å
618	T	62	Low	75.4	Confident	50 Å²	50	66.2 Å²	66.2	31%	0.307	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-135.6	16.9	-168.8	55	0	0	0	0	114.1	S615 Q616 A624	S615-T618 PolarHBondContact O-N 3.07Å; S615-T618 PolarHBondContact O-OG1 3.26Å; S615-T618 PolarHBondContact OG-OG1 3.42Å; Q616-T618 VanDerWaalsContact C-N 3.3Å; Q616-T618 PolarHBondContact O-N 2.9Å; T618-A624 WeakPolarHBondContact O-CA 3.39Å; T618-A624 WeakPolarHBondContact O-CB 3.48Å
619	L	68.2	Low	75.6	Confident	5 Å²	5	59.4 Å²	59.4	3%	0.026	29%	0.287	C	S	.	.	S	Bend	trans	-92.9	-5.6	-170.1	-63.2	178.1	0	0	0	115.6	P571 S615 P625 F626 V646	P571-L619 HydrophobicContact CG-CB 4.4Å; S615-L619 WeakPolarHBondContact O-CG 3.49Å; L619-P625 HydrophobicContact CD2-CG 4.49Å; L619-F626 HydrophobicContact CD2-CE1 3.72Å; L619-F626 HydrophobicContact CD2-CE2 4.19Å; L619-F626 HydrophobicContact CD2-CZ 3.51Å; L619-V646 HydrophobicContact CD1-CG1 4.24Å; L619-V646 HydrophobicContact CD1-CG2 4.43Å
620	Y	68.8	Low	76	Confident	22 Å²	22	56.6 Å²	56.6	9%	0.086	27%	0.27	C	S	.	.	S	Bend	trans	-112.6	10.9	-172.5	-57.1	-82.3	0	0	0	114.1	S478 G570 P571	S478-Y620 VanDerWaalsContact CB-CE2 3.49Å; G570-Y620 WeakPolarHBondContact O-CD1 3.36Å; P571-Y620 VanDerWaalsContact CD-CD1 3.5Å; P571-Y620 HydrophobicContact CG-CE1 4.29Å
621	T	68.9	Low	76.5	Confident	26 Å²	26	55.3 Å²	55.3	16%	0.16	26%	0.263	C	S	.	.	S	Bend	trans	-115.4	160.2	-178.4	57.3	0	0	0	0	111.7	A482 L483 D623 A624 H627	A482-T621 HydrophobicContact CB-CG2 3.78Å; L483-T621 HydrophobicContact CD2-CG2 4.47Å; T621-D623 PolarHBondContact O-N 2.77Å; T621-A624 WeakPolarHBondContact O-CB 3.48Å; T621-A624 PolarHBondContact O-N 2.9Å; T621-H627 PolarHBondContact O-NE2 2.84Å
622	Q	70.9	Confident	77	Confident	107 Å²	107	53.7 Å²	53.7	50%	0.5	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.9	175	-175.1	174.9	-25.7	0	0	112.1	W569 K596 A624 H627	W569-Q622 HydrophobicContact CD2-CB 4.13Å; W569-Q622 HydrophobicContact CD2-CG 4.06Å; W569-Q622 HydrophobicContact CE3-CG 4.21Å; W569-Q622 HydrophobicContact CG-CB 4.3Å; W569-Q622 HydrophobicContact CH2-CG 4.05Å; W569-Q622 HydrophobicContact CZ2-CG 3.88Å; W569-Q622 HydrophobicContact CZ3-CG 4.2Å; K596-Q622 PolarHBondContact NZ-O 3.31Å; Q622-A624 VanDerWaalsContact C-N 3.29Å; Q622-A624 PolarHBondContact O-N 3.03Å; Q622-H627 WeakPolarHBondContact CA-NE2 3.28Å; Q622-H627 PolarHBondContact O-CE1 3.4Å; Q622-H627 PolarHBondContact O-NE2 3.34Å
623	D	70.3	Confident	77.6	Confident	138 Å²	138	45.1 Å²	45.1	74%	0.738	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	0.9	177	-64.7	-57.9	0	0	0	115.4	K596 T621	K596-D623 VanDerWaalsContact NZ-C 3.31Å; K596-D623 PolarHBondContact NZ-O 3.5Å; T621-D623 PolarHBondContact O-N 2.77Å
624	A	76.8	Confident	78.5	Confident	1 Å²	1	44 Å²	44	1%	0.008	22%	0.223	C	C	.	.	S	Bend	trans	-47.8	147.8	173.6	0	0	0	0	0	112.6	K596 T618 T621 Q622 F626	K596-A624 WeakPolarHBondContact CD-O 3.12Å; K596-A624 WeakPolarHBondContact CE-O 3.46Å; K596-A624 PolarHBondContact NZ-O 3Å; T618-A624 WeakPolarHBondContact O-CA 3.39Å; T618-A624 WeakPolarHBondContact O-CB 3.48Å; T621-A624 WeakPolarHBondContact O-CB 3.48Å; T621-A624 PolarHBondContact O-N 2.9Å; Q622-A624 VanDerWaalsContact C-N 3.29Å; Q622-A624 PolarHBondContact O-N 3.03Å; A624-F626 PolarHBondContact O-N 2.74Å
625	P	79.3	Confident	79.3	Confident	61 Å²	61	43.4 Å²	43.4	40%	0.396	22%	0.223	S	C	.	.	S	Bend	trans	-65.5	-20.9	178.9	25.8	-33.9	0	0	0	113	F613 L619	F613-P625 HydrophobicContact CB-CB 4.42Å; L619-P625 HydrophobicContact CD2-CG 4.49Å
626	F	86.3	Confident	80.6	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.018	20%	0.204	C	C	.	.			trans	-156.1	152.4	172.1	60	-86.1	0	0	0	110	K596 L598 W614 L619 A624 V629	K596-F626 WeakPolarHBondContact O-CA 3.34Å; L598-F626 HydrophobicContact CB-CB 3.63Å; L598-F626 HydrophobicContact CB-CD2 4.44Å; L598-F626 HydrophobicContact CB-CG 4.02Å; L598-F626 HydrophobicContact CD2-CB 3.99Å; L598-F626 HydrophobicContact CD2-CD1 3.48Å; L598-F626 VanDerWaalsContact CD2-CD1 3.48Å; L598-F626 HydrophobicContact CD2-CD2 4.08Å; L598-F626 HydrophobicContact CD2-CE1 3.95Å; L598-F626 HydrophobicContact CD2-CE2 4.48Å; L598-F626 HydrophobicContact CD2-CG 3.56Å; L598-F626 HydrophobicContact CD2-CZ 4.42Å; L598-F626 HydrophobicContact CG-CB 4.45Å; L598-F626 HydrophobicContact CG-CG 4.47Å; W614-F626 AromaticContact CD1-CE1 3.41Å; W614-F626 VanDerWaalsContact CD1-CE1 3.41Å; W614-F626 AromaticContact CD1-CZ 3.52Å; W614-F626 HydrophobicContact CG-CE1 4.38Å; W614-F626 HydrophobicContact CG-CZ 4.24Å; W614-F626 AromaticContact NE1-CE1 3.73Å; W614-F626 AromaticContact NE1-CZ 3.56Å; L619-F626 HydrophobicContact CD2-CE1 3.72Å; L619-F626 HydrophobicContact CD2-CE2 4.19Å; L619-F626 HydrophobicContact CD2-CZ 3.51Å; A624-F626 PolarHBondContact O-N 2.74Å; F626-V629 HydrophobicContact CD2-CG2 3.43Å; F626-V629 VanDerWaalsContact CD2-CG2 3.43Å; F626-V629 HydrophobicContact CE2-CG2 3.35Å; F626-V629 HydrophobicContact CG-CG2 4.43Å; F626-V629 HydrophobicContact CZ-CG2 4.32Å
627	H	88.3	Confident	82	Confident	5 Å²	5	36.1 Å²	36.1	2%	0.023	18%	0.184	C	C	.	.	S	Bend	trans	-106.9	-42.8	176.9	-60	139.3	0	0	0	111.2	W569 F572 K594 F595 K596 T621 Q622	W569-H627 AromaticContact CE3-CE1 3.67Å; W569-H627 AromaticContact CE3-ND1 3.99Å; W569-H627 AromaticContact CZ3-CE1 3.8Å; W569-H627 WeakPolarHBondContact O-CB 3.3Å; F572-H627 PolarHBondContact N-O 3.47Å; K594-H627 PolarHBondContact O-CE1 2.87Å; F595-H627 HydrophobicContact CD1-CB 3.98Å; F595-H627 AromaticContact CD1-ND1 3.8Å; K596-H627 PolarHBondContact N-ND1 3.39Å; K596-H627 PolarHBondContact O-N 2.96Å; T621-H627 PolarHBondContact O-NE2 2.84Å; Q622-H627 WeakPolarHBondContact CA-NE2 3.28Å; Q622-H627 PolarHBondContact O-CE1 3.4Å; Q622-H627 PolarHBondContact O-NE2 3.34Å
628	V	91.6	Very high	83.5	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	130.1	-175.9	-179.4	0	0	0	0	109.8	F572 I574 F588 F595 K596 V597 L598 I630	F572-V628 HydrophobicContact CB-CG2 4.31Å; F572-V628 HydrophobicContact CD2-CG2 4.1Å; I574-V628 HydrophobicContact CD1-CG1 3.53Å; I574-V628 HydrophobicContact CG1-CG1 4.02Å; F588-V628 HydrophobicContact CE1-CG2 3.99Å; F588-V628 HydrophobicContact CE2-CG1 4.09Å; F588-V628 HydrophobicContact CZ-CG1 3.99Å; F588-V628 HydrophobicContact CZ-CG2 4.15Å; F595-V628 HydrophobicContact CD2-CG2 4.49Å; K596-V628 PolarHBondContact O-N 3.38Å; V597-V628 HydrophobicContact CG2-CB 4.21Å; L598-V628 PolarHBondContact N-O 3.28Å; V628-I630 HydrophobicContact CG1-CG1 4.08Å
629	V	92.6	Very high	84.9	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	120.6	169.4	-179.4	0	0	0	0	110	F572 L573 I574 L598 W614 F626 F643 W648	F572-V629 PolarHBondContact O-N 2.89Å; L573-V629 HydrophobicContact CD1-CB 4.23Å; L573-V629 HydrophobicContact CD1-CG1 4.27Å; I574-V629 PolarHBondContact N-O 3.04Å; L598-V629 HydrophobicContact CB-CG2 4.46Å; L598-V629 HydrophobicContact CD2-CG2 4.36Å; L598-V629 WeakPolarHBondContact O-CA 3.4Å; W614-V629 HydrophobicContact CZ2-CG1 4.5Å; F626-V629 HydrophobicContact CD2-CG2 3.43Å; F626-V629 VanDerWaalsContact CD2-CG2 3.43Å; F626-V629 HydrophobicContact CE2-CG2 3.35Å; F626-V629 HydrophobicContact CG-CG2 4.43Å; F626-V629 HydrophobicContact CZ-CG2 4.32Å; V629-F643 HydrophobicContact CG1-CE1 4.32Å; V629-W648 HydrophobicContact CB-CH2 4.17Å; V629-W648 HydrophobicContact CB-CZ3 4.23Å; V629-W648 HydrophobicContact CG2-CH2 3.86Å; V629-W648 HydrophobicContact CG2-CZ3 3.98Å
630	I	94.5	Very high	85.9	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.8	176	-53.4	176	0	0	0	108.7	I574 L581 W584 H585 F588 V597 L598 Y600 V628	I574-I630 HydrophobicContact CB-CG1 4.47Å; I574-I630 WeakPolarHBondContact O-CA 3.37Å; L581-I630 HydrophobicContact CB-CG2 4.5Å; L581-I630 HydrophobicContact CD2-CG2 3.79Å; W584-I630 HydrophobicContact CB-CD1 4.07Å; W584-I630 HydrophobicContact CB-CG2 4.28Å; H585-I630 HydrophobicContact CB-CD1 4.23Å; F588-I630 HydrophobicContact CD2-CD1 4.06Å; F588-I630 HydrophobicContact CE2-CD1 4.49Å; V597-I630 HydrophobicContact CG1-CD1 3.44Å; V597-I630 VanDerWaalsContact CG1-CD1 3.44Å; V597-I630 HydrophobicContact CG1-CG1 3.95Å; L598-I630 PolarHBondContact O-N 2.99Å; L598-I630 VanDerWaalsContact O-N 3.11Å; Y600-I630 PolarHBondContact N-O 3.32Å; V628-I630 HydrophobicContact CG1-CG1 4.08Å
631	T	94.4	Very high	86.9	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	169.3	-174.5	-173	0	0	0	0	111.6	L573 I574 I575 S576 L581 V636 F643	L573-T631 HydrophobicContact CD1-CG2 3.75Å; I574-T631 PolarHBondContact O-N 3.24Å; I575-T631 WeakPolarHBondContact CA-O 3.39Å; I575-T631 HydrophobicContact CG1-CG2 3.95Å; S576-T631 PolarHBondContact N-O 2.78Å; L581-T631 VanDerWaalsContact CD2-C 3.48Å; L581-T631 VanDerWaalsContact CD2-O 3.28Å; L581-T631 WeakPolarHBondContact CD2-O 3.22Å; T631-V636 HydrophobicContact CG2-CG2 3.41Å; T631-V636 VanDerWaalsContact CG2-CG2 3.41Å; T631-F643 HydrophobicContact CG2-CE1 4.14Å; T631-F643 HydrophobicContact CG2-CZ 4.23Å
632	S	94.8	Very high	87.7	Confident	12 Å²	12	42.9 Å²	42.9	8%	0.084	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	149.8	176.2	66.6	0	0	0	0	113.2	S576 Q634 L635 V636	S576-S632 WeakPolarHBondContact O-CA 3.46Å; S632-Q634 PolarHBondContact O-N 2.85Å; S632-L635 PolarHBondContact O-N 3.22Å; S632-V636 WeakPolarHBondContact O-CG2 3.03Å; S632-V636 PolarHBondContact O-N 3.45Å
633	Y	91.9	Very high	88.6	Confident	15 Å²	15	37.8 Å²	37.8	6%	0.059	19%	0.186	C	C	.	.	H	α-helix	trans	-43.4	-34.6	174.9	-72	-80.1	0	0	0	114.8	I575 V637 L653 D654 A658 L659 L670	I575-Y633 HydrophobicContact CG2-CD1 3.76Å; I575-Y633 HydrophobicContact CG2-CD2 4.1Å; I575-Y633 HydrophobicContact CG2-CE1 3.89Å; I575-Y633 HydrophobicContact CG2-CE2 4.22Å; I575-Y633 HydrophobicContact CG2-CG 3.87Å; Y633-V637 WeakPolarHBondContact O-CG2 3.4Å; Y633-L653 HydrophobicContact CD1-CD2 4.48Å; Y633-L653 HydrophobicContact CE1-CD2 3.48Å; Y633-L653 VanDerWaalsContact CE1-CD2 3.48Å; Y633-D654 WeakPolarHBondContact CE2-O 3.33Å; Y633-D654 PolarHBondContact OH-O 3.19Å; Y633-A658 HydrophobicContact CD1-CB 4.25Å; Y633-A658 HydrophobicContact CD2-CB 4.11Å; Y633-A658 HydrophobicContact CE1-CB 3.91Å; Y633-A658 HydrophobicContact CE2-CB 3.75Å; Y633-A658 HydrophobicContact CG-CB 4.34Å; Y633-L659 HydrophobicContact CD1-CD2 4.42Å; Y633-L659 HydrophobicContact CE1-CD2 3.91Å; Y633-L659 HydrophobicContact CE1-CG 4.37Å; Y633-L670 HydrophobicContact CD1-CD1 4.11Å; Y633-L670 HydrophobicContact CE1-CD1 4.1Å
634	Q	90.9	Very high	89.4	Confident	94 Å²	94	35.1 Å²	35.1	44%	0.439	17%	0.169	S	C	.	.	H	α-helix	trans	-80.1	-35.3	-178.6	-165.1	63.7	24.5	0	0	112.9	S632 Q638	S632-Q634 PolarHBondContact O-N 2.85Å; Q634-Q638 WeakPolarHBondContact O-CG 3.1Å; Q634-Q638 PolarHBondContact O-N 3.34Å
635	L	91.5	Very high	89.7	Confident	21 Å²	21	43.1 Å²	43.1	11%	0.11	20%	0.199	C	C	.	.	H	α-helix	trans	-73.1	-37.4	176.8	-67.4	174.7	0	0	0	111.5	Y600 W601 S632 V637 Q638 D639	Y600-L635 HydrophobicContact CD1-CB 4.47Å; Y600-L635 HydrophobicContact CD1-CD1 4.48Å; Y600-L635 WeakPolarHBondContact O-CD1 3.39Å; W601-L635 HydrophobicContact CB-CD1 4.26Å; S632-L635 PolarHBondContact O-N 3.22Å; L635-V637 VanDerWaalsContact C-N 3.3Å; L635-V637 PolarHBondContact O-N 2.89Å; L635-Q638 PolarHBondContact O-N 2.89Å; L635-Q638 VanDerWaalsContact O-N 3.09Å; L635-D639 PolarHBondContact O-N 2.89Å
636	V	91	Very high	89.9	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-56.8	-42.4	174	172.6	0	0	0	0	111.7	I575 T631 S632 V640 L670 F673	I575-V636 HydrophobicContact CD1-CG1 4.48Å; I575-V636 HydrophobicContact CD1-CG2 4.11Å; I575-V636 HydrophobicContact CG1-CG2 4.33Å; I575-V636 HydrophobicContact CG2-CG2 4.28Å; T631-V636 HydrophobicContact CG2-CG2 3.41Å; T631-V636 VanDerWaalsContact CG2-CG2 3.41Å; S632-V636 WeakPolarHBondContact O-CG2 3.03Å; S632-V636 PolarHBondContact O-N 3.45Å; V636-V640 WeakPolarHBondContact O-CA 3.44Å; V636-V640 PolarHBondContact O-N 3.35Å; V636-V640 VanDerWaalsContact O-N 3.09Å; V636-L670 HydrophobicContact CG1-CD2 4.09Å; V636-F673 HydrophobicContact CG1-CE2 3.45Å; V636-F673 VanDerWaalsContact CG1-CE2 3.45Å; V636-F673 HydrophobicContact CG1-CZ 3.67Å
637	V	90.8	Very high	89.9	Confident	35 Å²	35	43.5 Å²	43.5	21%	0.212	20%	0.195	C	C	.	.	H	α-helix	trans	-68.9	-35.5	175	170.1	0	0	0	0	112.5	Y633 L635 V665 R666 I669	Y633-V637 WeakPolarHBondContact O-CG2 3.4Å; L635-V637 VanDerWaalsContact C-N 3.3Å; L635-V637 PolarHBondContact O-N 2.89Å; V637-V665 HydrophobicContact CG1-CG1 4.23Å; V637-R666 HydrophobicContact CG2-CB 4.38Å; V637-R666 HydrophobicContact CG2-CG 3.78Å; V637-I669 HydrophobicContact CB-CD1 4.29Å; V637-I669 HydrophobicContact CG1-CD1 3.94Å; V637-I669 HydrophobicContact CG2-CD1 4.12Å
638	Q	90.5	Very high	89.9	Confident	111 Å²	111	43.3 Å²	43.3	52%	0.519	19%	0.194	S	C	.	.	H	α-helix	trans	-70	-46.2	178.1	-73.9	-179.7	3.5	0	0	112.8	Q634 L635	Q634-Q638 WeakPolarHBondContact O-CG 3.1Å; Q634-Q638 PolarHBondContact O-N 3.34Å; L635-Q638 PolarHBondContact O-N 2.89Å; L635-Q638 VanDerWaalsContact O-N 3.09Å
639	D	90.6	Very high	89.7	Confident	15 Å²	15	43.5 Å²	43.5	8%	0.08	20%	0.195	C	C	.	.	S	Bend	trans	-102.8	18.9	-172.5	-74.6	-50.5	0	0	0	113.2	Y600 R607 R611 L635 K641 Y642 F643	Y600-D639 HydrophobicContact CE1-CB 4.38Å; Y600-D639 WeakPolarHBondContact CE1-OD2 3.44Å; Y600-D639 PolarHBondContact OH-OD2 3.45Å; R607-D639 WeakPolarHBondContact CD-OD2 3.45Å; R607-D639 IonicContact CZ-OD2 3.58Å; R607-D639 IonicContact NE-OD2 3.74Å; R607-D639 IonicContact NH1-OD2 2.73Å; R607-D639 PolarHBondContact NH1-OD2 2.91Å; R611-D639 IonicContact CZ-OD1 2.88Å; R611-D639 IonicContact NH1-OD1 3.27Å; R611-D639 PolarHBondContact NH1-OD1 3.31Å; R611-D639 IonicContact NH1-OD2 2.81Å; R611-D639 IonicContact NH2-OD1 2.59Å; L635-D639 PolarHBondContact O-N 2.89Å; D639-K641 PolarHBondContact O-N 3.1Å; D639-Y642 HydrophobicContact CB-CD2 4.14Å; D639-Y642 WeakPolarHBondContact O-CB 3.29Å; D639-Y642 WeakPolarHBondContact O-CD2 3.49Å; D639-Y642 PolarHBondContact O-N 2.94Å; D639-F643 HydrophobicContact CB-CD2 4.2Å; D639-F643 HydrophobicContact CB-CE2 4.07Å; D639-F643 PolarHBondContact O-N 3.48Å
640	V	90.2	Very high	89.6	Confident	23 Å²	23	43.9 Å²	43.9	14%	0.139	20%	0.197	C	C	.	.	H	α-helix	trans	-43.5	-40.3	-178.1	57.9	0	0	0	0	114.1	V636 Y642 F643 Q644 I669 F673	V636-V640 WeakPolarHBondContact O-CA 3.44Å; V636-V640 PolarHBondContact O-N 3.35Å; V636-V640 VanDerWaalsContact O-N 3.09Å; V640-Y642 PolarHBondContact O-N 3.39Å; V640-F643 PolarHBondContact O-N 2.92Å; V640-Q644 HydrophobicContact CG2-CG 3.85Å; V640-Q644 WeakPolarHBondContact O-CB 3.43Å; V640-Q644 WeakPolarHBondContact O-CG 3.35Å; V640-Q644 PolarHBondContact O-N 3.37Å; V640-I669 HydrophobicContact CB-CD1 4.48Å; V640-I669 HydrophobicContact CB-CG2 4.07Å; V640-I669 HydrophobicContact CG1-CD1 4.46Å; V640-I669 HydrophobicContact CG2-CD1 4.48Å; V640-I669 HydrophobicContact CG2-CG1 4.35Å; V640-I669 HydrophobicContact CG2-CG2 3.58Å; V640-F673 HydrophobicContact CG2-CE1 4.24Å; V640-F673 HydrophobicContact CG2-CZ 4.27Å
641	K	88.1	Confident	89.5	Confident	156 Å²	156	43.9 Å²	43.9	68%	0.678	20%	0.197	S	C	*	.	H	α-helix	trans	-61.4	-14.7	179.2	-63.8	-175.9	178	-177.7	0	115.3	D639 R645	D639-K641 PolarHBondContact O-N 3.1Å; K641-R645 WeakPolarHBondContact O-CG 3.22Å; K641-R645 PolarHBondContact O-NE 2.79Å; K641-R645 VanDerWaalsContact O-NE 3.1Å
642	Y	87.1	Confident	89.5	Confident	102 Å²	102	43.9 Å²	43.9	40%	0.4	20%	0.197	S	C	.	.	H	α-helix	trans	-100.4	-47.9	175.9	-58.3	-86.1	0	0	0	110.3	D639 V640 Q644 R645	D639-Y642 HydrophobicContact CB-CD2 4.14Å; D639-Y642 WeakPolarHBondContact O-CB 3.29Å; D639-Y642 WeakPolarHBondContact O-CD2 3.49Å; D639-Y642 PolarHBondContact O-N 2.94Å; V640-Y642 PolarHBondContact O-N 3.39Å; Y642-Q644 VanDerWaalsContact C-N 3.27Å; Y642-Q644 PolarHBondContact O-N 2.86Å; Y642-R645 WeakPolarHBondContact O-CB 3.43Å; Y642-R645 PolarHBondContact O-N 3.41Å
643	F	88.4	Confident	89.4	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.1	-32.7	177	-74	-89.1	0	0	0	112.8	L573 Y600 W614 V629 T631 D639 V640 R645 V646 W648 F673	L573-F643 HydrophobicContact CD1-CD1 4.06Å; L573-F643 HydrophobicContact CD1-CE1 3.74Å; L573-F643 HydrophobicContact CD2-CD1 4.19Å; Y600-F643 HydrophobicContact CD1-CE2 4.11Å; Y600-F643 AromaticContact CD1-CZ 3.79Å; Y600-F643 HydrophobicContact CD1-CZ 3.79Å; Y600-F643 HydrophobicContact CD2-CZ 4.45Å; Y600-F643 AromaticContact CE1-CE2 3.81Å; Y600-F643 HydrophobicContact CE1-CE2 3.81Å; Y600-F643 AromaticContact CE1-CZ 3.97Å; Y600-F643 HydrophobicContact CE1-CZ 3.97Å; Y600-F643 HydrophobicContact CG-CZ 4.06Å; W614-F643 AromaticContact CH2-CD1 3.81Å; W614-F643 HydrophobicContact CH2-CD1 3.81Å; W614-F643 HydrophobicContact CH2-CD2 4.13Å; W614-F643 AromaticContact CH2-CE1 3.63Å; W614-F643 HydrophobicContact CH2-CE1 3.63Å; W614-F643 AromaticContact CH2-CE2 3.96Å; W614-F643 HydrophobicContact CH2-CE2 3.96Å; W614-F643 HydrophobicContact CH2-CG 4.06Å; W614-F643 AromaticContact CH2-CZ 3.71Å; W614-F643 HydrophobicContact CH2-CZ 3.71Å; W614-F643 HydrophobicContact CZ2-CE1 4.24Å; W614-F643 HydrophobicContact CZ2-CZ 4.31Å; W614-F643 HydrophobicContact CZ3-CD1 4.49Å; W614-F643 HydrophobicContact CZ3-CG 4.41Å; V629-F643 HydrophobicContact CG1-CE1 4.32Å; T631-F643 HydrophobicContact CG2-CE1 4.14Å; T631-F643 HydrophobicContact CG2-CZ 4.23Å; D639-F643 HydrophobicContact CB-CD2 4.2Å; D639-F643 HydrophobicContact CB-CE2 4.07Å; D639-F643 PolarHBondContact O-N 3.48Å; V640-F643 PolarHBondContact O-N 2.92Å; F643-R645 PolarHBondContact O-N 3.23Å; F643-V646 PolarHBondContact O-N 2.77Å; F643-W648 AromaticContact CD1-CZ2 3.81Å; F643-W648 HydrophobicContact CD1-CZ2 3.81Å; F643-W648 HydrophobicContact CE1-CZ2 4.39Å; F643-W648 PolarHBondContact O-NE1 2.94Å; F643-F673 HydrophobicContact CB-CD1 4.36Å; F643-F673 HydrophobicContact CB-CE1 3.44Å; F643-F673 VanDerWaalsContact CB-CE1 3.44Å; F643-F673 HydrophobicContact CB-CZ 3.68Å
644	Q	87.2	Confident	89.5	Confident	82 Å²	82	43.3 Å²	43.3	38%	0.383	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-12	174.6	-79	-179.4	-28.4	0	0	114.4	V640 Y642 Q672 F673	V640-Q644 HydrophobicContact CG2-CG 3.85Å; V640-Q644 WeakPolarHBondContact O-CB 3.43Å; V640-Q644 WeakPolarHBondContact O-CG 3.35Å; V640-Q644 PolarHBondContact O-N 3.37Å; Y642-Q644 VanDerWaalsContact C-N 3.27Å; Y642-Q644 PolarHBondContact O-N 2.86Å; Q644-Q672 VanDerWaalsContact NE2-OE1 3.16Å; Q644-F673 HydrophobicContact CB-CE1 4.4Å; Q644-F673 HydrophobicContact CG-CD1 3.76Å; Q644-F673 HydrophobicContact CG-CE1 3.62Å
645	R	84.3	Confident	89.4	Confident	169 Å²	169	40.6 Å²	40.6	64%	0.638	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-7.3	179	-59.3	178.9	179.9	-146.2	-9	113.3	Q616 K641 Y642 F643	Q616-R645 PolarHBondContact NE2-O 3.39Å; K641-R645 WeakPolarHBondContact O-CG 3.22Å; K641-R645 PolarHBondContact O-NE 2.79Å; K641-R645 VanDerWaalsContact O-NE 3.1Å; Y642-R645 WeakPolarHBondContact O-CB 3.43Å; Y642-R645 PolarHBondContact O-N 3.41Å; F643-R645 PolarHBondContact O-N 3.23Å
646	V	83.8	Confident	89.1	Confident	10 Å²	10	39.7 Å²	39.7	6%	0.061	18%	0.177	C	C	.	.	S	Bend	trans	-109.8	128.1	179.7	-179.8	0	0	0	0	107.2	P571 W614 L619 F643 W648	P571-V646 HydrophobicContact CG-CG1 3.94Å; W614-V646 HydrophobicContact CE3-CG2 4.41Å; L619-V646 HydrophobicContact CD1-CG1 4.24Å; L619-V646 HydrophobicContact CD1-CG2 4.43Å; F643-V646 PolarHBondContact O-N 2.77Å; V646-W648 HydrophobicContact CB-CD2 4.4Å; V646-W648 HydrophobicContact CB-CZ2 3.75Å; V646-W648 HydrophobicContact CG1-CD2 3.84Å; V646-W648 HydrophobicContact CG1-CE3 4.16Å; V646-W648 HydrophobicContact CG1-CG 4.4Å; V646-W648 HydrophobicContact CG1-CH2 4.11Å; V646-W648 HydrophobicContact CG1-CZ2 3.73Å; V646-W648 HydrophobicContact CG1-CZ3 4.32Å; V646-W648 HydrophobicContact CG2-CZ2 4.24Å; V646-W648 PolarHBondContact O-NE1 3.3Å
647	K	85.6	Confident	88.6	Confident	63 Å²	63	42.1 Å²	42.1	27%	0.274	19%	0.188	S	C	.	.			trans	-79	125.4	165	-70.9	-179.5	-178.1	175.2	0	107	F471 D474 P571 Q674	F471-K647 HydrophobicContact CE2-CB 4.18Å; F471-K647 HydrophobicContact CE2-CD 4.33Å; F471-K647 HydrophobicContact CE2-CG 4.37Å; F471-K647 HydrophobicContact CZ-CB 3.83Å; D474-K647 IonicContact OD2-NZ 3.19Å; D474-K647 PolarHBondContact OD2-NZ 3.44Å; P571-K647 WeakPolarHBondContact CG-O 3.19Å; K647-Q674 HydrophobicContact CG-CB 4.38Å
648	W	88.9	Confident	88.1	Confident	0 Å²	0	42 Å²	42	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	135.6	-175.9	-60.2	91.7	0	0	0	110.6	F471 P571 L573 V629 F643 V646 Q674 C675 R676	F471-W648 WeakPolarHBondContact CZ-O 3.42Å; P571-W648 HydrophobicContact CB-CE3 3.86Å; P571-W648 HydrophobicContact CB-CZ3 3.91Å; P571-W648 HydrophobicContact CG-CE3 4.2Å; L573-W648 HydrophobicContact CB-CD2 3.74Å; L573-W648 HydrophobicContact CB-CE3 3.58Å; L573-W648 HydrophobicContact CB-CG 4.18Å; L573-W648 HydrophobicContact CB-CZ3 4Å; L573-W648 HydrophobicContact CD1-CH2 4.25Å; L573-W648 HydrophobicContact CD1-CZ2 4.4Å; L573-W648 HydrophobicContact CD1-CZ3 4.4Å; L573-W648 HydrophobicContact CD2-CD2 4.04Å; L573-W648 HydrophobicContact CD2-CG 4.25Å; L573-W648 HydrophobicContact CD2-CZ2 4.33Å; L573-W648 HydrophobicContact CG-CD2 4.41Å; V629-W648 HydrophobicContact CB-CH2 4.17Å; V629-W648 HydrophobicContact CB-CZ3 4.23Å; V629-W648 HydrophobicContact CG2-CH2 3.86Å; V629-W648 HydrophobicContact CG2-CZ3 3.98Å; F643-W648 AromaticContact CD1-CZ2 3.81Å; F643-W648 HydrophobicContact CD1-CZ2 3.81Å; F643-W648 HydrophobicContact CE1-CZ2 4.39Å; F643-W648 PolarHBondContact O-NE1 2.94Å; V646-W648 HydrophobicContact CB-CD2 4.4Å; V646-W648 HydrophobicContact CB-CZ2 3.75Å; V646-W648 HydrophobicContact CG1-CD2 3.84Å; V646-W648 HydrophobicContact CG1-CE3 4.16Å; V646-W648 HydrophobicContact CG1-CG 4.4Å; V646-W648 HydrophobicContact CG1-CH2 4.11Å; V646-W648 HydrophobicContact CG1-CZ2 3.73Å; V646-W648 HydrophobicContact CG1-CZ3 4.32Å; V646-W648 HydrophobicContact CG2-CZ2 4.24Å; V646-W648 PolarHBondContact O-NE1 3.3Å; W648-Q674 PolarHBondContact N-O 3Å; W648-C675 VanDerWaalsContact O-CA 3.23Å; W648-C675 WeakPolarHBondContact O-CA 3.5Å; W648-R676 PolarHBondContact O-N 3.25Å; W648-R676 VanDerWaalsContact O-N 3.12Å
649	Q	87.3	Confident	87.5	Confident	5 Å²	5	36.8 Å²	36.8	2%	0.023	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	-43.4	178.2	-70.9	-63.9	-4.5	0	0	111.5	A475 I568 G570 P571 F572 R676 N677	A475-Q649 VanDerWaalsContact CB-NE2 3.27Å; I568-Q649 HydrophobicContact CG2-CB 4.29Å; I568-Q649 HydrophobicContact CG2-CG 4.01Å; G570-Q649 WeakPolarHBondContact O-CG 3.36Å; P571-Q649 PolarHBondContact O-N 3.31Å; F572-Q649 HydrophobicContact CD1-CB 4.21Å; F572-Q649 HydrophobicContact CE1-CB 4.04Å; Q649-R676 WeakPolarHBondContact O-CB 3.24Å; Q649-N677 PolarHBondContact O-N 3.11Å
650	Y	90.6	Very high	87	Confident	7 Å²	7	39.5 Å²	39.5	3%	0.027	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	130.3	-178.5	-147	-96.3	0	0	0	110.2	Y535 L558 L559 L562 L573 V652 N677 L679	Y535-Y650 HydrophobicContact CD2-CD2 4.03Å; Y535-Y650 AromaticContact CD2-CE2 3.81Å; Y535-Y650 HydrophobicContact CD2-CE2 3.81Å; Y535-Y650 HydrophobicContact CE2-CD2 4.09Å; Y535-Y650 HydrophobicContact CE2-CE2 4.35Å; L558-Y650 HydrophobicContact CD2-CE1 3.96Å; L558-Y650 HydrophobicContact CD2-CE2 4.23Å; L558-Y650 VanDerWaalsContact CD2-OH 3.26Å; L558-Y650 WeakPolarHBondContact CD2-OH 3.37Å; L559-Y650 HydrophobicContact CD2-CD1 3.98Å; L559-Y650 HydrophobicContact CD2-CG 4.09Å; L562-Y650 HydrophobicContact CD1-CD2 4.4Å; L573-Y650 PolarHBondContact N-O 3.26Å; Y650-V652 HydrophobicContact CD1-CG2 3.73Å; Y650-V652 HydrophobicContact CE1-CG2 3.99Å; Y650-N677 HydrophobicContact CD2-CB 3.66Å; Y650-N677 HydrophobicContact CE2-CB 3.53Å; Y650-L679 HydrophobicContact CE1-CB 3.53Å; Y650-L679 HydrophobicContact CE1-CD2 3.84Å; Y650-L679 HydrophobicContact CE1-CG 4.34Å
651	M	92.5	Very high	86.6	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	116.2	173.2	178.1	179.9	-77.1	0	0	110	L573 I575 L653 L670 F673 C675 N677 R678 L679 F699	L573-M651 HydrophobicContact CD2-CE 3.82Å; L573-M651 CarbonylContact O-C 3.57Å; L573-M651 WeakPolarHBondContact O-CA 3.11Å; I575-M651 HydrophobicContact CD1-CE 4.19Å; I575-M651 HydrophobicContact CD1-CG 4.43Å; I575-M651 HydrophobicContact CD1-SD 4.35Å; M651-L653 HydrophobicContact CG-CD1 4.07Å; M651-L653 HydrophobicContact CG-CG 4.17Å; M651-L653 HydrophobicContact SD-CD1 3.76Å; M651-L653 HydrophobicContact SD-CG 4.3Å; M651-L670 HydrophobicContact CE-CD2 4.29Å; M651-L670 HydrophobicContact SD-CD2 4.25Å; M651-F673 HydrophobicContact CE-CB 3.92Å; M651-F673 HydrophobicContact CE-CD2 3.64Å; M651-F673 HydrophobicContact CE-CG 4.15Å; M651-C675 HydrophobicContact CB-CB 4.46Å; M651-C675 WeakPolarHBondContact CE-SG 3.36Å; M651-N677 PolarHBondContact N-O 3.07Å; M651-R678 WeakPolarHBondContact O-CA 3.3Å; M651-L679 PolarHBondContact O-N 3.22Å; M651-F699 HydrophobicContact SD-CZ 4.46Å
652	V	94.3	Very high	86.3	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	127.5	172.4	-170.4	0	0	0	0	109.4	L573 I574 I575 W584 Y650 L679 L681	L573-V652 PolarHBondContact O-N 2.89Å; I574-V652 HydrophobicContact CG1-CB 4.14Å; I574-V652 HydrophobicContact CG1-CG2 4.24Å; I574-V652 HydrophobicContact CG2-CB 4.41Å; I575-V652 PolarHBondContact N-O 3.09Å; W584-V652 HydrophobicContact CH2-CG1 4.15Å; Y650-V652 HydrophobicContact CD1-CG2 3.73Å; Y650-V652 HydrophobicContact CE1-CG2 3.99Å; V652-L679 HydrophobicContact CG1-CD2 4.39Å; V652-L679 HydrophobicContact CG2-CD2 4.5Å; V652-L681 HydrophobicContact CG1-CD1 3.68Å; V652-L681 HydrophobicContact CG1-CG 4Å
653	L	93.1	Very high	86	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	105	179.5	-78.8	151.5	0	0	0	109.4	I575 Y633 M651 L659 L670 L679 L680 L681 F699	I575-L653 HydrophobicContact CB-CD2 3.87Å; I575-L653 HydrophobicContact CD1-CD2 4.14Å; I575-L653 HydrophobicContact CG1-CD2 4.5Å; I575-L653 HydrophobicContact CG2-CD2 4.07Å; Y633-L653 HydrophobicContact CD1-CD2 4.48Å; Y633-L653 HydrophobicContact CE1-CD2 3.48Å; Y633-L653 VanDerWaalsContact CE1-CD2 3.48Å; M651-L653 HydrophobicContact CG-CD1 4.07Å; M651-L653 HydrophobicContact CG-CG 4.17Å; M651-L653 HydrophobicContact SD-CD1 3.76Å; M651-L653 HydrophobicContact SD-CG 4.3Å; L653-L659 HydrophobicContact CD1-CD1 4.18Å; L653-L659 HydrophobicContact CD2-CD1 4.35Å; L653-L670 HydrophobicContact CD2-CD1 4Å; L653-L670 HydrophobicContact CD2-CD2 4.2Å; L653-L679 PolarHBondContact N-O 2.86Å; L653-L680 HydrophobicContact CB-CD2 3.72Å; L653-L680 HydrophobicContact CD1-CD2 3.5Å; L653-L680 VanDerWaalsContact CD1-CD2 3.5Å; L653-L680 HydrophobicContact CG-CD2 4.24Å; L653-L681 PolarHBondContact O-N 3.18Å; L653-F699 HydrophobicContact CD1-CD1 4.5Å; L653-F699 HydrophobicContact CD1-CE1 3.41Å; L653-F699 VanDerWaalsContact CD1-CE1 3.41Å; L653-F699 HydrophobicContact CD1-CZ 3.64Å
654	D	92.9	Very high	85.9	Confident	14 Å²	14	35.3 Å²	35.3	8%	0.075	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	136.5	-178	-177.4	39	0	0	0	111.5	I575 T580 W584 Y633 L681	I575-D654 PolarHBondContact O-N 3.3Å; T580-D654 PolarHBondContact OG1-OD2 2.65Å; W584-D654 HydrophobicContact CZ2-CB 3.95Å; W584-D654 PolarHBondContact NE1-OD2 3.06Å; Y633-D654 WeakPolarHBondContact CE2-O 3.33Å; Y633-D654 PolarHBondContact OH-O 3.19Å; D654-L681 HydrophobicContact CB-CD1 4.47Å
655	E	88.8	Confident	85.9	Confident	37 Å²	37	35.9 Å²	35.9	17%	0.173	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	58.6	-169	-59.7	-74.6	-138.3	0	0	112.7	M547 P577 Q657 A658 L681 G683	M547-E655 VanDerWaalsContact CE-OE1 3.25Å; M547-E655 WeakPolarHBondContact CE-OE1 3.5Å; P577-E655 HydrophobicContact CG-CB 3.84Å; P577-E655 HydrophobicContact CG-CG 3.94Å; E655-Q657 PolarHBondContact O-N 2.96Å; E655-Q657 PolarHBondContact OE2-NE2 3.3Å; E655-Q657 PolarHBondContact OE2-OE1 3.21Å; E655-A658 WeakPolarHBondContact O-CB 3.24Å; E655-A658 PolarHBondContact O-N 3.4Å; E655-L681 PolarHBondContact N-O 3.36Å; E655-G683 PolarHBondContact OE2-N 3.1Å; E655-G683 VanDerWaalsContact OE2-N 3.16Å
656	A	84.3	Confident	86.2	Confident	2 Å²	2	32.2 Å²	32.2	2%	0.017	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-54.2	-13.7	-177.3	0	0	0	0	0	115	A658 L659 L680 L681 L696	A656-A658 PolarHBondContact O-N 3.17Å; A656-L659 WeakPolarHBondContact O-CB 3.19Å; A656-L659 PolarHBondContact O-N 3.21Å; A656-L680 HydrophobicContact CB-CB 3.98Å; A656-L680 HydrophobicContact CB-CD2 4.48Å; A656-L681 WeakPolarHBondContact CB-O 3.47Å; A656-L681 PolarHBondContact N-O 3.34Å; A656-L696 HydrophobicContact CB-CD2 4.39Å
657	Q	81.4	Confident	86.4	Confident	52 Å²	52	32.5 Å²	32.5	24%	0.243	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-54.6	-16.1	164.1	62.2	-92.2	20.7	0	0	114.2	E655 L659 K660 T682	E655-Q657 PolarHBondContact O-N 2.96Å; E655-Q657 PolarHBondContact OE2-NE2 3.3Å; E655-Q657 PolarHBondContact OE2-OE1 3.21Å; Q657-L659 PolarHBondContact O-N 2.89Å; Q657-L659 VanDerWaalsContact O-N 3.16Å; Q657-K660 HydrophobicContact CB-CD 4.04Å; Q657-K660 HydrophobicContact CB-CG 4.27Å; Q657-K660 WeakPolarHBondContact O-CD 3.37Å; Q657-K660 WeakPolarHBondContact O-CG 3.24Å; Q657-K660 PolarHBondContact O-N 2.88Å; Q657-T682 PolarHBondContact OE1-OG1 2.78Å
658	A	80.9	Confident	86.6	Confident	34 Å²	34	34.5 Å²	34.5	28%	0.281	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-60.9	-14.7	167.7	0	0	0	0	0	114.4	Y633 E655 A656	Y633-A658 HydrophobicContact CD1-CB 4.25Å; Y633-A658 HydrophobicContact CD2-CB 4.11Å; Y633-A658 HydrophobicContact CE1-CB 3.91Å; Y633-A658 HydrophobicContact CE2-CB 3.75Å; Y633-A658 HydrophobicContact CG-CB 4.34Å; E655-A658 WeakPolarHBondContact O-CB 3.24Å; E655-A658 PolarHBondContact O-N 3.4Å; A656-A658 PolarHBondContact O-N 3.17Å
659	L	78.4	Confident	86.6	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-105.4	1.3	-176.6	-56.9	-174.7	0	0	0	114.8	Y633 L653 A656 Q657 S661 L670 L680 L696 F699	Y633-L659 HydrophobicContact CD1-CD2 4.42Å; Y633-L659 HydrophobicContact CE1-CD2 3.91Å; Y633-L659 HydrophobicContact CE1-CG 4.37Å; L653-L659 HydrophobicContact CD1-CD1 4.18Å; L653-L659 HydrophobicContact CD2-CD1 4.35Å; A656-L659 WeakPolarHBondContact O-CB 3.19Å; A656-L659 PolarHBondContact O-N 3.21Å; Q657-L659 PolarHBondContact O-N 2.89Å; Q657-L659 VanDerWaalsContact O-N 3.16Å; L659-S661 PolarHBondContact O-N 3.47Å; L659-L670 HydrophobicContact CD2-CD1 3.47Å; L659-L670 VanDerWaalsContact CD2-CD1 3.47Å; L659-L680 HydrophobicContact CD1-CD2 4.38Å; L659-L696 HydrophobicContact CB-CD2 4.49Å; L659-F699 HydrophobicContact CD1-CD1 4.48Å; L659-F699 HydrophobicContact CD1-CE1 4.4Å; L659-F699 HydrophobicContact CD1-CZ 4.42Å
660	K	79.8	Confident	86.7	Confident	72 Å²	72	35.4 Å²	35.4	31%	0.313	19%	0.193	S	C	.	.			trans	-42.4	-27.2	-174.1	-84.1	170.4	167	-85.9	0	117.3	Q657 E692	Q657-K660 HydrophobicContact CB-CD 4.04Å; Q657-K660 HydrophobicContact CB-CG 4.27Å; Q657-K660 WeakPolarHBondContact O-CD 3.37Å; Q657-K660 WeakPolarHBondContact O-CG 3.24Å; Q657-K660 PolarHBondContact O-N 2.88Å; K660-E692 HydrophobicContact CB-CG 3.86Å; K660-E692 WeakPolarHBondContact CD-OE1 3.46Å; K660-E692 WeakPolarHBondContact CE-OE1 3.27Å; K660-E692 HydrophobicContact CG-CB 4.48Å; K660-E692 VanDerWaalsContact CG-CD 3.42Å; K660-E692 HydrophobicContact CG-CG 3.89Å; K660-E692 WeakPolarHBondContact CG-OE1 3.46Å; K660-E692 IonicContact NZ-OE1 2.71Å; K660-E692 PolarHBondContact NZ-OE1 3.23Å; K660-E692 IonicContact NZ-OE2 2.85Å; K660-E692 PolarHBondContact NZ-OE2 3.14Å; K660-E692 WeakPolarHBondContact O-CA 3.45Å; K660-E692 WeakPolarHBondContact O-CG 3.22Å
661	S	81.4	Confident	86.5	Confident	57 Å²	57	37.1 Å²	37.1	40%	0.399	20%	0.202	S	C	.	.			trans	-118.2	120.4	178.6	-171.7	0	0	0	0	112.3	L659 S663 S664	L659-S661 PolarHBondContact O-N 3.47Å; S661-S663 PolarHBondContact O-N 3.23Å; S661-S663 PolarHBondContact OG-N 3.33Å; S661-S663 PolarHBondContact OG-OG 3.2Å; S661-S664 WeakPolarHBondContact O-CB 3.37Å; S661-S664 PolarHBondContact O-N 2.88Å
662	S	80.6	Confident	86.2	Confident	22 Å²	22	43 Å²	43	15%	0.154	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.7	171.3	56.2	0	0	0	0	113.8	S664 K668	S662-S664 PolarHBondContact O-N 3.45Å; S662-K668 WeakPolarHBondContact O-CE 3.37Å
663	S	82.2	Confident	85.9	Confident	81 Å²	81	43.1 Å²	43.1	57%	0.566	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.4	172.4	74.9	0	0	0	0	112.8	S661	S661-S663 PolarHBondContact O-N 3.23Å; S661-S663 PolarHBondContact OG-N 3.33Å; S661-S663 PolarHBondContact OG-OG 3.2Å
664	S	86.1	Confident	85.5	Confident	33 Å²	33	48.7 Å²	48.7	23%	0.231	26%	0.256	C	S	.	.			trans	-64.7	134.5	-169.9	-175.7	0	0	0	0	113.5	S661 S662 R666 W667 K668	S661-S664 WeakPolarHBondContact O-CB 3.37Å; S661-S664 PolarHBondContact O-N 2.88Å; S662-S664 PolarHBondContact O-N 3.45Å; S664-R666 PolarHBondContact O-N 3.27Å; S664-R666 PolarHBondContact OG-N 2.96Å; S664-W667 PolarHBondContact O-N 2.74Å; S664-K668 PolarHBondContact O-N 3.28Å
665	V	87.2	Confident	85.2	Confident	93 Å²	93	49 Å²	49	56%	0.564	26%	0.259	S	S	*	.	H	α-helix	trans	-58.1	-30.7	171.8	179.1	0	0	0	0	111.7	V637 I669	V637-V665 HydrophobicContact CG1-CG1 4.23Å; V665-I669 HydrophobicContact CG1-CD1 3.77Å; V665-I669 HydrophobicContact CG1-CG1 4.46Å; V665-I669 WeakPolarHBondContact O-CB 3.4Å; V665-I669 WeakPolarHBondContact O-CG1 3.34Å; V665-I669 PolarHBondContact O-N 3.26Å
666	R	89.3	Confident	85	Confident	93 Å²	93	48.9 Å²	48.9	35%	0.351	26%	0.257	S	S	.	.	H	α-helix	trans	-64.3	-51.3	175.5	-68.7	173.7	-177.8	153.5	2.9	111.2	V637 S664 I669 L670	V637-R666 HydrophobicContact CG2-CB 4.38Å; V637-R666 HydrophobicContact CG2-CG 3.78Å; S664-R666 PolarHBondContact O-N 3.27Å; S664-R666 PolarHBondContact OG-N 2.96Å; R666-I669 PolarHBondContact O-N 2.93Å; R666-L670 WeakPolarHBondContact O-CB 3.36Å; R666-L670 WeakPolarHBondContact O-CD1 3.2Å; R666-L670 VanDerWaalsContact O-CG 3.29Å; R666-L670 WeakPolarHBondContact O-CG 3.47Å; R666-L670 PolarHBondContact O-N 3.08Å
667	W	89.7	Confident	85.2	Confident	15 Å²	15	48.8 Å²	48.8	6%	0.057	26%	0.256	C	S	.	.	H	α-helix	trans	-58.6	-50	179.2	-176	96.7	0	0	0	110.8	S664 I669 L670 L671 W694 A695 H698	S664-W667 PolarHBondContact O-N 2.74Å; W667-I669 PolarHBondContact O-N 3.4Å; W667-L670 PolarHBondContact O-N 3.07Å; W667-L671 HydrophobicContact CE3-CD2 4.27Å; W667-L671 HydrophobicContact CH2-CD2 3.66Å; W667-L671 HydrophobicContact CZ2-CD2 4.24Å; W667-L671 HydrophobicContact CZ3-CD2 3.67Å; W667-L671 WeakPolarHBondContact O-CB 3.38Å; W667-L671 PolarHBondContact O-N 2.99Å; W667-W694 HydrophobicContact CH2-CH2 4.39Å; W667-W694 HydrophobicContact CH2-CZ3 4.39Å; W667-W694 HydrophobicContact CZ2-CZ3 4.4Å; W667-A695 PolarHBondContact NE1-O 2.96Å; W667-H698 AromaticContact CH2-CD2 3.46Å; W667-H698 VanDerWaalsContact CH2-CD2 3.46Å; W667-H698 WeakPolarHBondContact CH2-CD2 3.42Å; W667-H698 AromaticContact CH2-NE2 3.9Å; W667-H698 HydrophobicContact CZ2-CB 4.31Å; W667-H698 AromaticContact CZ2-CD2 3.46Å; W667-H698 VanDerWaalsContact CZ2-CD2 3.46Å; W667-H698 WeakPolarHBondContact CZ2-CD2 3.33Å
668	K	88.2	Confident	85.7	Confident	105 Å²	105	47.4 Å²	47.4	46%	0.457	25%	0.249	S	C	.	.	H	α-helix	trans	-61.6	-37.6	179.7	-66.6	-179.8	178.6	173.1	0	113.4	S662 S664 Q672	S662-K668 WeakPolarHBondContact O-CE 3.37Å; S664-K668 PolarHBondContact O-N 3.28Å; K668-Q672 VanDerWaalsContact O-CG 3.3Å; K668-Q672 WeakPolarHBondContact O-CG 3.49Å
669	I	89.3	Confident	86.2	Confident	22 Å²	22	45.8 Å²	45.8	11%	0.113	24%	0.235	C	C	.	.	H	α-helix	trans	-72.3	-42	176.2	-78.4	172.7	0	0	0	111.7	V637 V640 V665 R666 W667 L671 Q672 F673	V637-I669 HydrophobicContact CB-CD1 4.29Å; V637-I669 HydrophobicContact CG1-CD1 3.94Å; V637-I669 HydrophobicContact CG2-CD1 4.12Å; V640-I669 HydrophobicContact CB-CD1 4.48Å; V640-I669 HydrophobicContact CB-CG2 4.07Å; V640-I669 HydrophobicContact CG1-CD1 4.46Å; V640-I669 HydrophobicContact CG2-CD1 4.48Å; V640-I669 HydrophobicContact CG2-CG1 4.35Å; V640-I669 HydrophobicContact CG2-CG2 3.58Å; V665-I669 HydrophobicContact CG1-CD1 3.77Å; V665-I669 HydrophobicContact CG1-CG1 4.46Å; V665-I669 WeakPolarHBondContact O-CB 3.4Å; V665-I669 WeakPolarHBondContact O-CG1 3.34Å; V665-I669 PolarHBondContact O-N 3.26Å; R666-I669 PolarHBondContact O-N 2.93Å; W667-I669 PolarHBondContact O-N 3.4Å; I669-L671 VanDerWaalsContact C-N 3.35Å; I669-Q672 WeakPolarHBondContact O-CB 3.47Å; I669-Q672 PolarHBondContact O-N 3.17Å; I669-F673 HydrophobicContact CG2-CE2 4.03Å; I669-F673 HydrophobicContact CG2-CZ 3.95Å
670	L	88.9	Confident	86.8	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.016	24%	0.235	C	C	.	.	H	α-helix	trans	-66.1	-38.6	-179.8	-74.4	163.1	0	0	0	112	I575 Y633 V636 M651 L653 L659 R666 W667 Q672 F673 F699	I575-L670 HydrophobicContact CD1-CD2 3.41Å; I575-L670 VanDerWaalsContact CD1-CD2 3.41Å; Y633-L670 HydrophobicContact CD1-CD1 4.11Å; Y633-L670 HydrophobicContact CE1-CD1 4.1Å; V636-L670 HydrophobicContact CG1-CD2 4.09Å; M651-L670 HydrophobicContact CE-CD2 4.29Å; M651-L670 HydrophobicContact SD-CD2 4.25Å; L653-L670 HydrophobicContact CD2-CD1 4Å; L653-L670 HydrophobicContact CD2-CD2 4.2Å; L659-L670 HydrophobicContact CD2-CD1 3.47Å; L659-L670 VanDerWaalsContact CD2-CD1 3.47Å; R666-L670 WeakPolarHBondContact O-CB 3.36Å; R666-L670 WeakPolarHBondContact O-CD1 3.2Å; R666-L670 VanDerWaalsContact O-CG 3.29Å; R666-L670 WeakPolarHBondContact O-CG 3.47Å; R666-L670 PolarHBondContact O-N 3.08Å; W667-L670 PolarHBondContact O-N 3.07Å; L670-Q672 PolarHBondContact O-N 3.36Å; L670-F673 HydrophobicContact CD2-CD2 4.01Å; L670-F673 HydrophobicContact CD2-CE2 3.88Å; L670-F673 PolarHBondContact O-N 3.43Å; L670-F699 HydrophobicContact CB-CE2 3.55Å; L670-F699 HydrophobicContact CB-CZ 3.8Å
671	L	87.4	Confident	87.4	Confident	43 Å²	43	42.4 Å²	42.4	23%	0.225	22%	0.22	C	C	.	.	H	α-helix	trans	-61	-31.8	176	-179.6	55.2	0	0	0	112.3	W667 I669 F673 R678 F699 P702	W667-L671 HydrophobicContact CE3-CD2 4.27Å; W667-L671 HydrophobicContact CH2-CD2 3.66Å; W667-L671 HydrophobicContact CZ2-CD2 4.24Å; W667-L671 HydrophobicContact CZ3-CD2 3.67Å; W667-L671 WeakPolarHBondContact O-CB 3.38Å; W667-L671 PolarHBondContact O-N 2.99Å; I669-L671 VanDerWaalsContact C-N 3.35Å; L671-F673 VanDerWaalsContact C-N 3.33Å; L671-F673 PolarHBondContact O-N 3.05Å; L671-R678 PolarHBondContact O-NH2 3.15Å; L671-F699 HydrophobicContact CB-CD2 4.42Å; L671-F699 HydrophobicContact CB-CE2 4.37Å; L671-P702 HydrophobicContact CD1-CG 3.9Å
672	Q	86.1	Confident	87.7	Confident	122 Å²	122	40.1 Å²	40.1	57%	0.57	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-10.2	178.1	-71.5	171.3	7.7	0	0	114.8	Q644 K668 I669 L670	Q644-Q672 VanDerWaalsContact NE2-OE1 3.16Å; K668-Q672 VanDerWaalsContact O-CG 3.3Å; K668-Q672 WeakPolarHBondContact O-CG 3.49Å; I669-Q672 WeakPolarHBondContact O-CB 3.47Å; I669-Q672 PolarHBondContact O-N 3.17Å; L670-Q672 PolarHBondContact O-N 3.36Å
673	F	87.9	Confident	87.6	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.018	20%	0.202	C	C	.	.	S	Bend	trans	-77.5	129.9	178.8	-68.6	-53.1	0	0	0	112	V636 V640 F643 Q644 M651 I669 L670 L671 C675 R678	V636-F673 HydrophobicContact CG1-CE2 3.45Å; V636-F673 VanDerWaalsContact CG1-CE2 3.45Å; V636-F673 HydrophobicContact CG1-CZ 3.67Å; V640-F673 HydrophobicContact CG2-CE1 4.24Å; V640-F673 HydrophobicContact CG2-CZ 4.27Å; F643-F673 HydrophobicContact CB-CD1 4.36Å; F643-F673 HydrophobicContact CB-CE1 3.44Å; F643-F673 VanDerWaalsContact CB-CE1 3.44Å; F643-F673 HydrophobicContact CB-CZ 3.68Å; Q644-F673 HydrophobicContact CB-CE1 4.4Å; Q644-F673 HydrophobicContact CG-CD1 3.76Å; Q644-F673 HydrophobicContact CG-CE1 3.62Å; M651-F673 HydrophobicContact CE-CB 3.92Å; M651-F673 HydrophobicContact CE-CD2 3.64Å; M651-F673 HydrophobicContact CE-CG 4.15Å; I669-F673 HydrophobicContact CG2-CE2 4.03Å; I669-F673 HydrophobicContact CG2-CZ 3.95Å; L670-F673 HydrophobicContact CD2-CD2 4.01Å; L670-F673 HydrophobicContact CD2-CE2 3.88Å; L670-F673 PolarHBondContact O-N 3.43Å; L671-F673 VanDerWaalsContact C-N 3.33Å; L671-F673 PolarHBondContact O-N 3.05Å; F673-C675 PolarHBondContact O-N 2.72Å; F673-C675 VanDerWaalsContact O-N 3.14Å; F673-C675 PolarHBondContact O-SG 2.81Å; F673-R678 PolarHBondContact O-NH2 3.31Å
674	Q	84.4	Confident	87.1	Confident	117 Å²	117	37.8 Å²	37.8	55%	0.547	19%	0.188	S	C	.	.			trans	-70.2	103.4	171	-66.4	-176.9	-8.5	0	0	109.5	K647 W648	K647-Q674 HydrophobicContact CG-CB 4.38Å; W648-Q674 PolarHBondContact N-O 3Å
675	C	86.9	Confident	85.8	Confident	20 Å²	20	38.3 Å²	38.3	14%	0.135	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	144.9	177.6	-46.3	0	0	0	0	108.5	W648 M651 F673 R678	W648-C675 VanDerWaalsContact O-CA 3.23Å; W648-C675 WeakPolarHBondContact O-CA 3.5Å; M651-C675 HydrophobicContact CB-CB 4.46Å; M651-C675 WeakPolarHBondContact CE-SG 3.36Å; F673-C675 PolarHBondContact O-N 2.72Å; F673-C675 VanDerWaalsContact O-N 3.14Å; F673-C675 PolarHBondContact O-SG 2.81Å; C675-R678 HydrophobicContact CB-CG 4.45Å
676	R	85.3	Confident	84.5	Confident	35 Å²	35	36.5 Å²	36.5	13%	0.132	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	-64.4	169.5	-174.6	-160.8	174	71.6	-14.1	110.3	T468 F471 D472 Y535 W648 Q649	T468-R676 VanDerWaalsContact CG2-NH1 3.27Å; T468-R676 PolarHBondContact O-NH1 3.38Å; T468-R676 VanDerWaalsContact O-NH1 3.12Å; F471-R676 HydrophobicContact CD1-CB 3.76Å; F471-R676 HydrophobicContact CD1-CG 4.23Å; F471-R676 HydrophobicContact CE1-CB 3.75Å; F471-R676 HydrophobicContact CG-CB 4.3Å; F471-R676 HydrophobicContact CZ-CB 4.28Å; D472-R676 IonicContact OD1-CZ 3.21Å; D472-R676 IonicContact OD1-NH1 2.86Å; D472-R676 PolarHBondContact OD1-NH1 2.72Å; D472-R676 IonicContact OD1-NH2 3.18Å; D472-R676 PolarHBondContact OD1-NH2 3.09Å; D472-R676 IonicContact OD2-CZ 2.9Å; D472-R676 IonicContact OD2-NH1 2.66Å; D472-R676 PolarHBondContact OD2-NH1 2.74Å; D472-R676 IonicContact OD2-NH2 2.73Å; D472-R676 PolarHBondContact OD2-NH2 2.79Å; Y535-R676 PolarHBondContact OH-NE 3.31Å; W648-R676 PolarHBondContact O-N 3.25Å; W648-R676 VanDerWaalsContact O-N 3.12Å; Q649-R676 WeakPolarHBondContact O-CB 3.24Å
677	N	88.1	Confident	82.8	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	154.6	178	-59.4	78.6	0	0	0	112.8	Y535 I539 N540 Q649 Y650 M651	Y535-N677 HydrophobicContact CD2-CB 4.27Å; Y535-N677 VanDerWaalsContact CD2-OD1 3.26Å; Y535-N677 WeakPolarHBondContact CD2-OD1 3.38Å; Y535-N677 WeakPolarHBondContact CE2-OD1 3.42Å; I539-N677 PolarHBondContact O-ND2 3.35Å; N540-N677 WeakPolarHBondContact OD1-CA 3.44Å; Q649-N677 PolarHBondContact O-N 3.11Å; Y650-N677 HydrophobicContact CD2-CB 3.66Å; Y650-N677 HydrophobicContact CE2-CB 3.53Å; M651-N677 PolarHBondContact N-O 3.07Å
678	R	91	Very high	81.5	Confident	23 Å²	23	42.7 Å²	42.7	9%	0.087	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.2	179.2	-63.5	174.5	175.4	177.2	-0.1	109.2	N540 G541 M651 L671 F673 C675 F699	N540-R678 WeakPolarHBondContact CA-O 3.35Å; N540-R678 HydrophobicContact CB-CB 4.37Å; N540-R678 WeakPolarHBondContact CB-O 3.3Å; N540-R678 PolarHBondContact OD1-N 3.18Å; G541-R678 PolarHBondContact N-O 3.31Å; M651-R678 WeakPolarHBondContact O-CA 3.3Å; L671-R678 PolarHBondContact O-NH2 3.15Å; F673-R678 PolarHBondContact O-NH2 3.31Å; C675-R678 HydrophobicContact CB-CG 4.45Å; R678-F699 PolarHBondContact NH1-O 3.48Å
679	L	91.9	Very high	80.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.4	175.6	174.9	56.2	0	0	0	109.8	L531 L543 Y650 M651 V652 L653 L681	L531-L679 HydrophobicContact CD1-CD2 4.27Å; L531-L679 HydrophobicContact CD2-CD1 3.63Å; L531-L679 HydrophobicContact CD2-CD2 4.38Å; L543-L679 HydrophobicContact CB-CD1 4.43Å; Y650-L679 HydrophobicContact CE1-CB 3.53Å; Y650-L679 HydrophobicContact CE1-CD2 3.84Å; Y650-L679 HydrophobicContact CE1-CG 4.34Å; M651-L679 PolarHBondContact O-N 3.22Å; V652-L679 HydrophobicContact CG1-CD2 4.39Å; V652-L679 HydrophobicContact CG2-CD2 4.5Å; L653-L679 PolarHBondContact N-O 2.86Å; L679-L681 HydrophobicContact CD1-CD2 4.03Å; L679-L681 HydrophobicContact CD2-CD2 3.93Å; L679-L681 HydrophobicContact CG-CD2 3.76Å; L679-L681 HydrophobicContact CG-CG 4.48Å
680	L	91.6	Very high	79.8	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	122.9	173.4	-56.9	-167.9	0	0	0	109.8	G541 I542 L543 L653 A656 L659 L696 F699 I700	G541-L680 PolarHBondContact O-N 3.37Å; I542-L680 CarbonylContact C-O 3.54Å; I542-L680 WeakPolarHBondContact CA-O 3.46Å; I542-L680 HydrophobicContact CG1-CB 4.39Å; L543-L680 PolarHBondContact N-O 2.91Å; L653-L680 HydrophobicContact CB-CD2 3.72Å; L653-L680 HydrophobicContact CD1-CD2 3.5Å; L653-L680 VanDerWaalsContact CD1-CD2 3.5Å; L653-L680 HydrophobicContact CG-CD2 4.24Å; A656-L680 HydrophobicContact CB-CB 3.98Å; A656-L680 HydrophobicContact CB-CD2 4.48Å; L659-L680 HydrophobicContact CD1-CD2 4.38Å; L680-L696 HydrophobicContact CD1-CB 4.4Å; L680-L696 HydrophobicContact CD1-CD2 3.73Å; L680-F699 HydrophobicContact CD1-CD1 4.29Å; L680-F699 HydrophobicContact CD2-CD1 3.94Å; L680-F699 HydrophobicContact CD2-CE1 3.91Å; L680-I700 HydrophobicContact CD1-CD1 3.65Å; L680-I700 HydrophobicContact CD1-CG1 3.93Å; L680-I700 HydrophobicContact CG-CD1 3.95Å; L680-I700 HydrophobicContact CG-CG1 4.18Å
681	L	91.7	Very high	79.2	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.9	171.8	-47.7	178.7	0	0	0	108.6	L543 K551 W584 V652 L653 D654 E655 A656 L679	L543-L681 HydrophobicContact CB-CD2 3.81Å; L543-L681 HydrophobicContact CD2-CD2 4.12Å; K551-L681 HydrophobicContact CD-CB 4.32Å; W584-L681 HydrophobicContact CH2-CD1 3.83Å; W584-L681 HydrophobicContact CZ2-CD1 3.74Å; V652-L681 HydrophobicContact CG1-CD1 3.68Å; V652-L681 HydrophobicContact CG1-CG 4Å; L653-L681 PolarHBondContact O-N 3.18Å; D654-L681 HydrophobicContact CB-CD1 4.47Å; E655-L681 PolarHBondContact N-O 3.36Å; A656-L681 WeakPolarHBondContact CB-O 3.47Å; A656-L681 PolarHBondContact N-O 3.34Å; L679-L681 HydrophobicContact CD1-CD2 4.03Å; L679-L681 HydrophobicContact CD2-CD2 3.93Å; L679-L681 HydrophobicContact CG-CD2 3.76Å; L679-L681 HydrophobicContact CG-CG 4.48Å
682	T	87.9	Confident	78.8	Confident	9 Å²	9	44.3 Å²	44.3	6%	0.055	24%	0.235	C	C	.	.			trans	-129.9	132.4	175.5	-178.8	0	0	0	0	111.3	I542 L543 A544 K551 Q657 T684	I542-T682 HydrophobicContact CG2-CG2 4.15Å; L543-T682 PolarHBondContact O-N 3.17Å; A544-T682 HydrophobicContact CB-CG2 3.59Å; K551-T682 WeakPolarHBondContact CE-O 3.42Å; K551-T682 PolarHBondContact NZ-O 3.08Å; Q657-T682 PolarHBondContact OE1-OG1 2.78Å; T682-T684 PolarHBondContact OG1-N 3.29Å; T682-T684 PolarHBondContact OG1-O 3.43Å; T682-T684 PolarHBondContact OG1-OG1 3.09Å
683	G	78.6	Confident	78.4	Confident	10 Å²	10	39.1 Å²	39.1	10%	0.103	21%	0.211	C	C	.	.	S	Bend	trans	-81.4	-28.8	170.3	0	0	0	0	0	113.7	M547 E655	M547-G683 VanDerWaalsContact CG-CA 3.47Å; E655-G683 PolarHBondContact OE2-N 3.1Å; E655-G683 VanDerWaalsContact OE2-N 3.16Å
684	T	71.8	Confident	78.1	Confident	44 Å²	44	39.6 Å²	39.6	27%	0.27	21%	0.212	S	C	.	.	S	Bend	trans	-95	145.2	178.1	52	0	0	0	0	111.4	T682	T682-T684 PolarHBondContact OG1-N 3.29Å; T682-T684 PolarHBondContact OG1-O 3.43Å; T682-T684 PolarHBondContact OG1-OG1 3.09Å
685	P	58.7	Low	78	Confident	45 Å²	45	34 Å²	34	29%	0.292	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-58.5	147.7	159.4	28.4	-33.5	0	0	0	109.3	Q687	P685-Q687 HydrophobicContact CG-CG 4.26Å; P685-Q687 WeakPolarHBondContact O-CB 3.07Å; P685-Q687 WeakPolarHBondContact O-CG 3.19Å; P685-Q687 PolarHBondContact O-N 3.11Å
686	I	60	Low	77.7	Confident	54 Å²	54	33.8 Å²	33.8	28%	0.277	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-59.7	124.3	175.9	-61.7	162	0	0	0	107.5	L693 L696 M745	I686-L693 HydrophobicContact CD1-CD1 3.9Å; I686-L693 HydrophobicContact CG2-CB 4.12Å; I686-L693 HydrophobicContact CG2-CD1 4.22Å; I686-L696 HydrophobicContact CD1-CD1 4.2Å; I686-L696 HydrophobicContact CG1-CD1 3.96Å; I686-L696 HydrophobicContact CG2-CD1 4.45Å; I686-M745 HydrophobicContact CD1-CE 3.47Å; I686-M745 VanDerWaalsContact CD1-CE 3.47Å; I686-M745 HydrophobicContact CD1-SD 4.25Å
687	Q	53.1	Low	77.4	Confident	90 Å²	90	32.5 Å²	32.5	42%	0.421	18%	0.18	S	C	.	.			trans	-132.5	120.3	-158.5	-102.9	-176.2	-6	0	0	114.6	P685 T689	P685-Q687 HydrophobicContact CG-CG 4.26Å; P685-Q687 WeakPolarHBondContact O-CB 3.07Å; P685-Q687 WeakPolarHBondContact O-CG 3.19Å; P685-Q687 PolarHBondContact O-N 3.11Å; Q687-T689 PolarHBondContact O-N 2.75Å
688	N	61.8	Low	77.2	Confident	149 Å²	149	33.1 Å²	33.1	80%	0.797	18%	0.182	S	C	*	.	S	Bend	trans	85.1	-14.3	154.3	-48.3	-6.2	0	0	0	118.3
689	T	69.5	Low	76.9	Confident	77 Å²	77	32.1 Å²	32.1	47%	0.472	18%	0.178	S	C	.	.			trans	-145.4	144.6	170.3	67.4	0	0	0	0	112.8	Q687 A691 E692	Q687-T689 PolarHBondContact O-N 2.75Å; T689-A691 VanDerWaalsContact C-N 3.26Å; T689-A691 PolarHBondContact O-N 3.28Å; T689-E692 PolarHBondContact O-N 2.93Å; T689-E692 WeakPolarHBondContact OG1-CG 3.34Å
690	M	73.3	Confident	76.3	Confident	65 Å²	65	32.3 Å²	32.3	32%	0.32	18%	0.179	S	C	.	.	H	α-helix	trans	-67.7	-26.2	178.5	-62.5	-51	177.2	0	0	112.9	E692 L693 W694 F711 F715 I719	M690-E692 VanDerWaalsContact C-N 3.28Å; M690-E692 PolarHBondContact O-N 3.36Å; M690-L693 WeakPolarHBondContact O-CB 3.39Å; M690-L693 PolarHBondContact O-N 2.92Å; M690-L693 VanDerWaalsContact O-N 3.15Å; M690-L693 HydrophobicContact SD-CD2 4.32Å; M690-W694 PolarHBondContact O-N 3.15Å; M690-F711 HydrophobicContact CB-CE1 4.2Å; M690-F715 HydrophobicContact CG-CB 4.03Å; M690-I719 HydrophobicContact CE-CD1 3.63Å
691	A	75.5	Confident	75.6	Confident	33 Å²	33	32.8 Å²	32.8	27%	0.273	18%	0.182	S	C	.	.	H	α-helix	trans	-61.6	-31.7	172.9	0	0	0	0	0	113.7	T689 A695	T689-A691 VanDerWaalsContact C-N 3.26Å; T689-A691 PolarHBondContact O-N 3.28Å; A691-A695 VanDerWaalsContact O-CB 3.29Å; A691-A695 WeakPolarHBondContact O-CB 3.41Å; A691-A695 PolarHBondContact O-N 3.33Å
692	E	78.9	Confident	74.6	Confident	32 Å²	32	34.3 Å²	34.3	15%	0.15	19%	0.192	C	C	.	.	H	α-helix	trans	-71.7	-39	173	-68.4	-173.8	174.6	0	0	112.3	K660 T689 M690 A695 L696	K660-E692 HydrophobicContact CB-CG 3.86Å; K660-E692 WeakPolarHBondContact CD-OE1 3.46Å; K660-E692 WeakPolarHBondContact CE-OE1 3.27Å; K660-E692 HydrophobicContact CG-CB 4.48Å; K660-E692 VanDerWaalsContact CG-CD 3.42Å; K660-E692 HydrophobicContact CG-CG 3.89Å; K660-E692 WeakPolarHBondContact CG-OE1 3.46Å; K660-E692 IonicContact NZ-OE1 2.71Å; K660-E692 PolarHBondContact NZ-OE1 3.23Å; K660-E692 IonicContact NZ-OE2 2.85Å; K660-E692 PolarHBondContact NZ-OE2 3.14Å; K660-E692 WeakPolarHBondContact O-CA 3.45Å; K660-E692 WeakPolarHBondContact O-CG 3.22Å; T689-E692 PolarHBondContact O-N 2.93Å; T689-E692 WeakPolarHBondContact OG1-CG 3.34Å; M690-E692 VanDerWaalsContact C-N 3.28Å; M690-E692 PolarHBondContact O-N 3.36Å; E692-A695 PolarHBondContact O-N 3.48Å; E692-L696 WeakPolarHBondContact O-CG 3.37Å; E692-L696 PolarHBondContact O-N 3.21Å
693	L	78.5	Confident	73.6	Confident	13 Å²	13	37 Å²	37	7%	0.068	21%	0.208	C	C	.	.	H	α-helix	trans	-64.1	-48.2	176.2	178.5	61.5	0	0	0	110.5	I686 M690 A695 L696 L697 F711 L737 L741	I686-L693 HydrophobicContact CD1-CD1 3.9Å; I686-L693 HydrophobicContact CG2-CB 4.12Å; I686-L693 HydrophobicContact CG2-CD1 4.22Å; M690-L693 WeakPolarHBondContact O-CB 3.39Å; M690-L693 PolarHBondContact O-N 2.92Å; M690-L693 VanDerWaalsContact O-N 3.15Å; M690-L693 HydrophobicContact SD-CD2 4.32Å; L693-A695 VanDerWaalsContact C-N 3.35Å; L693-A695 PolarHBondContact O-N 3.02Å; L693-L696 PolarHBondContact O-N 3.18Å; L693-L696 VanDerWaalsContact O-N 3.15Å; L693-L697 HydrophobicContact CD1-CD1 4.11Å; L693-L697 HydrophobicContact CD1-CG 4.27Å; L693-L697 HydrophobicContact CG-CD1 3.95Å; L693-L697 HydrophobicContact CG-CG 4.5Å; L693-L697 WeakPolarHBondContact O-CG 3.46Å; L693-L697 PolarHBondContact O-N 2.94Å; L693-F711 HydrophobicContact CD2-CZ 4.17Å; L693-F711 HydrophobicContact CG-CZ 4.22Å; L693-L737 HydrophobicContact CD2-CD1 4.05Å; L693-L741 HydrophobicContact CD1-CD1 4.3Å; L693-L741 HydrophobicContact CD1-CD2 4.23Å
694	W	81.4	Confident	72.8	Confident	13 Å²	13	38 Å²	38	5%	0.049	21%	0.211	C	C	.	.	H	α-helix	trans	-56.6	-46.5	174.7	-176.9	77.2	0	0	0	112.3	W667 M690 L696 L697 H698 F705 S707 H708 F711	W667-W694 HydrophobicContact CH2-CH2 4.39Å; W667-W694 HydrophobicContact CH2-CZ3 4.39Å; W667-W694 HydrophobicContact CZ2-CZ3 4.4Å; M690-W694 PolarHBondContact O-N 3.15Å; W694-L696 PolarHBondContact O-N 3.4Å; W694-L697 PolarHBondContact O-N 3.18Å; W694-H698 HydrophobicContact CD2-CB 4.49Å; W694-H698 HydrophobicContact CH2-CB 4.44Å; W694-H698 HydrophobicContact CZ2-CB 4.09Å; W694-H698 AromaticContact CZ2-ND1 3.84Å; W694-H698 WeakPolarHBondContact O-CB 3.31Å; W694-H698 PolarHBondContact O-N 3.21Å; W694-F705 WeakPolarHBondContact CZ2-O 3.36Å; W694-F705 PolarHBondContact NE1-O 3.01Å; W694-F705 VanDerWaalsContact NE1-O 3.1Å; W694-S707 PolarHBondContact NE1-O 3.34Å; W694-H708 HydrophobicContact CD2-CB 3.9Å; W694-H708 AromaticContact CD2-CG 3.93Å; W694-H708 AromaticContact CD2-ND1 3.58Å; W694-H708 HydrophobicContact CE3-CB 3.86Å; W694-H708 AromaticContact CE3-CG 3.72Å; W694-H708 AromaticContact CE3-ND1 3.62Å; W694-H708 AromaticContact CG-ND1 3.76Å; W694-H708 HydrophobicContact CH2-CB 3.75Å; W694-H708 HydrophobicContact CZ2-CB 3.75Å; W694-H708 HydrophobicContact CZ3-CB 3.78Å; W694-F711 HydrophobicContact CB-CD1 3.64Å; W694-F711 HydrophobicContact CB-CE1 3.79Å; W694-F711 HydrophobicContact CB-CG 4.08Å; W694-F711 HydrophobicContact CB-CZ 4.34Å; W694-F711 AromaticContact CD1-CD1 3.86Å; W694-F711 AromaticContact CD1-CD2 3.66Å; W694-F711 AromaticContact CD1-CG 3.37Å; W694-F711 HydrophobicContact CG-CB 4.18Å; W694-F711 HydrophobicContact CG-CD1 4.06Å; W694-F711 HydrophobicContact CG-CG 4.03Å
695	A	82	Confident	72.5	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.5	-29	179.7	0	0	0	0	0	112.8	W667 A691 E692 L693 F699	W667-A695 PolarHBondContact NE1-O 2.96Å; A691-A695 VanDerWaalsContact O-CB 3.29Å; A691-A695 WeakPolarHBondContact O-CB 3.41Å; A691-A695 PolarHBondContact O-N 3.33Å; E692-A695 PolarHBondContact O-N 3.48Å; L693-A695 VanDerWaalsContact C-N 3.35Å; L693-A695 PolarHBondContact O-N 3.02Å; A695-F699 VanDerWaalsContact O-CB 3.29Å; A695-F699 WeakPolarHBondContact O-CB 3.44Å
696	L	81.5	Confident	72.9	Confident	15 Å²	15	39.9 Å²	39.9	8%	0.079	22%	0.217	C	C	.	.	H	α-helix	trans	-80.6	-41.2	173.8	-65.3	167.7	0	0	0	112	A656 L659 L680 I686 E692 L693 W694 F699 I700	A656-L696 HydrophobicContact CB-CD2 4.39Å; L659-L696 HydrophobicContact CB-CD2 4.49Å; L680-L696 HydrophobicContact CD1-CB 4.4Å; L680-L696 HydrophobicContact CD1-CD2 3.73Å; I686-L696 HydrophobicContact CD1-CD1 4.2Å; I686-L696 HydrophobicContact CG1-CD1 3.96Å; I686-L696 HydrophobicContact CG2-CD1 4.45Å; E692-L696 WeakPolarHBondContact O-CG 3.37Å; E692-L696 PolarHBondContact O-N 3.21Å; L693-L696 PolarHBondContact O-N 3.18Å; L693-L696 VanDerWaalsContact O-N 3.15Å; W694-L696 PolarHBondContact O-N 3.4Å; L696-F699 PolarHBondContact O-N 2.94Å; L696-I700 PolarHBondContact O-N 3.44Å
697	L	79.4	Confident	73.6	Confident	9 Å²	9	38.9 Å²	38.9	5%	0.047	21%	0.214	C	C	.	.	H	α-helix	trans	-65.5	-51.7	179.5	-72.8	172.9	0	0	0	112.5	L693 W694 F699 I700 M701 F705 F711 L741	L693-L697 HydrophobicContact CD1-CD1 4.11Å; L693-L697 HydrophobicContact CD1-CG 4.27Å; L693-L697 HydrophobicContact CG-CD1 3.95Å; L693-L697 HydrophobicContact CG-CG 4.5Å; L693-L697 WeakPolarHBondContact O-CG 3.46Å; L693-L697 PolarHBondContact O-N 2.94Å; W694-L697 PolarHBondContact O-N 3.18Å; L697-F699 PolarHBondContact O-N 3.18Å; L697-I700 PolarHBondContact O-N 2.91Å; L697-M701 PolarHBondContact O-N 2.8Å; L697-F705 HydrophobicContact CB-CD2 4.14Å; L697-F705 HydrophobicContact CB-CE2 4.3Å; L697-F711 HydrophobicContact CD1-CE2 3.96Å; L697-F711 HydrophobicContact CD1-CZ 4.08Å; L697-L741 HydrophobicContact CD1-CD2 4.26Å; L697-L741 HydrophobicContact CD2-CD2 3.67Å; L697-L741 HydrophobicContact CG-CD2 4.41Å
698	H	83.1	Confident	74.3	Confident	14 Å²	14	37 Å²	37	7%	0.065	21%	0.206	C	C	.	.	H	α-helix	trans	-60.3	-32.5	176.1	179.3	100.4	0	0	0	111.8	W667 W694 I700 M701 P702 F705 D706	W667-H698 AromaticContact CH2-CD2 3.46Å; W667-H698 VanDerWaalsContact CH2-CD2 3.46Å; W667-H698 WeakPolarHBondContact CH2-CD2 3.42Å; W667-H698 AromaticContact CH2-NE2 3.9Å; W667-H698 HydrophobicContact CZ2-CB 4.31Å; W667-H698 AromaticContact CZ2-CD2 3.46Å; W667-H698 VanDerWaalsContact CZ2-CD2 3.46Å; W667-H698 WeakPolarHBondContact CZ2-CD2 3.33Å; W694-H698 HydrophobicContact CD2-CB 4.49Å; W694-H698 HydrophobicContact CH2-CB 4.44Å; W694-H698 HydrophobicContact CZ2-CB 4.09Å; W694-H698 AromaticContact CZ2-ND1 3.84Å; W694-H698 WeakPolarHBondContact O-CB 3.31Å; W694-H698 PolarHBondContact O-N 3.21Å; H698-I700 PolarHBondContact O-N 3.49Å; H698-M701 CarbonylContact O-C 3.53Å; H698-P702 VanDerWaalsContact O-CA 3.29Å; H698-P702 WeakPolarHBondContact O-CA 3.49Å; H698-P702 WeakPolarHBondContact O-CD 3.49Å; H698-P702 WeakPolarHBondContact O-CG 3.38Å; H698-P702 VanDerWaalsContact O-N 3.13Å; H698-F705 HydrophobicContact CB-CB 4.25Å; H698-F705 PolarHBondContact ND1-O 3.31Å; H698-D706 IonicContact CE1-OD1 3.97Å; H698-D706 PolarHBondContact CE1-OD1 2.93Å
699	F	84.5	Confident	74.6	Confident	1 Å²	1	37.1 Å²	37.1	0%	0.004	20%	0.201	C	C	.	.	H	α-helix	trans	-66.2	-28.1	177.1	-172.7	-89.5	0	0	0	113	M651 L653 L659 L670 L671 R678 L680 A695 L696 L697	M651-F699 HydrophobicContact SD-CZ 4.46Å; L653-F699 HydrophobicContact CD1-CD1 4.5Å; L653-F699 HydrophobicContact CD1-CE1 3.41Å; L653-F699 VanDerWaalsContact CD1-CE1 3.41Å; L653-F699 HydrophobicContact CD1-CZ 3.64Å; L659-F699 HydrophobicContact CD1-CD1 4.48Å; L659-F699 HydrophobicContact CD1-CE1 4.4Å; L659-F699 HydrophobicContact CD1-CZ 4.42Å; L670-F699 HydrophobicContact CB-CE2 3.55Å; L670-F699 HydrophobicContact CB-CZ 3.8Å; L671-F699 HydrophobicContact CB-CD2 4.42Å; L671-F699 HydrophobicContact CB-CE2 4.37Å; R678-F699 PolarHBondContact NH1-O 3.48Å; L680-F699 HydrophobicContact CD1-CD1 4.29Å; L680-F699 HydrophobicContact CD2-CD1 3.94Å; L680-F699 HydrophobicContact CD2-CE1 3.91Å; A695-F699 VanDerWaalsContact O-CB 3.29Å; A695-F699 WeakPolarHBondContact O-CB 3.44Å; L696-F699 PolarHBondContact O-N 2.94Å; L697-F699 PolarHBondContact O-N 3.18Å
700	I	80.4	Confident	74.6	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.021	19%	0.189	C	C	.	.	H	α-helix	trans	-88.5	-47.3	179.8	-76.5	176.3	0	0	0	111	N540 I542 L680 L696 L697 H698	N540-I700 HydrophobicContact CB-CB 4.19Å; N540-I700 HydrophobicContact CB-CG1 4.35Å; N540-I700 HydrophobicContact CB-CG2 3.51Å; N540-I700 PolarHBondContact ND2-O 2.91Å; N540-I700 WeakPolarHBondContact O-CG2 3.15Å; I542-I700 HydrophobicContact CD1-CD1 3.77Å; I542-I700 HydrophobicContact CG1-CD1 3.27Å; L680-I700 HydrophobicContact CD1-CD1 3.65Å; L680-I700 HydrophobicContact CD1-CG1 3.93Å; L680-I700 HydrophobicContact CG-CD1 3.95Å; L680-I700 HydrophobicContact CG-CG1 4.18Å; L696-I700 PolarHBondContact O-N 3.44Å; L697-I700 PolarHBondContact O-N 2.91Å; H698-I700 PolarHBondContact O-N 3.49Å
701	M	75.1	Confident	74.4	Confident	11 Å²	11	32.9 Å²	32.9	5%	0.054	18%	0.175	C	C	.	.			trans	-132	91.6	174.9	-65.8	-164.7	-62.7	0	0	110.5	Y397 L697 H698 T703 L704 F705 F744	Y397-M701 HydrophobicContact CE1-CE 4.27Å; Y397-M701 HydrophobicContact CE1-SD 3.82Å; L697-M701 PolarHBondContact O-N 2.8Å; H698-M701 CarbonylContact O-C 3.53Å; M701-T703 PolarHBondContact O-N 3.24Å; M701-L704 HydrophobicContact CB-CD1 4.49Å; M701-L704 HydrophobicContact CE-CD1 3.71Å; M701-L704 HydrophobicContact SD-CD1 3.85Å; M701-F705 HydrophobicContact CE-CE2 4.32Å; M701-F744 HydrophobicContact CE-CD1 4.46Å; M701-F744 HydrophobicContact CE-CD2 4.47Å; M701-F744 HydrophobicContact CE-CE1 3.73Å; M701-F744 HydrophobicContact CE-CE2 3.74Å; M701-F744 HydrophobicContact CE-CZ 3.32Å; M701-F744 HydrophobicContact SD-CE1 4.04Å; M701-F744 HydrophobicContact SD-CZ 4.11Å
702	P	70.8	Confident	74.1	Confident	32 Å²	32	33.7 Å²	33.7	21%	0.208	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-61.5	-45.6	-179.8	-23.4	33.1	0	0	0	112.4	L671 H698 L704 F705 D706	L671-P702 HydrophobicContact CD1-CG 3.9Å; H698-P702 VanDerWaalsContact O-CA 3.29Å; H698-P702 WeakPolarHBondContact O-CA 3.49Å; H698-P702 WeakPolarHBondContact O-CD 3.49Å; H698-P702 WeakPolarHBondContact O-CG 3.38Å; H698-P702 VanDerWaalsContact O-N 3.13Å; P702-L704 PolarHBondContact O-N 2.85Å; P702-F705 CarbonylContact O-C 3.43Å; P702-F705 PolarHBondContact O-N 3.46Å; P702-D706 PolarHBondContact O-N 3.32Å
703	T	67.3	Low	73.6	Confident	65 Å²	65	37.1 Å²	37.1	40%	0.399	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-68.1	1.4	-169.3	50.4	0	0	0	0	116.2	M701	M701-T703 PolarHBondContact O-N 3.24Å
704	L	62.8	Low	72.8	Confident	33 Å²	33	38.1 Å²	38.1	17%	0.173	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-120.7	-10.3	176.8	-70.1	169.4	0	0	0	112.7	Y397 A460 M701 P702	Y397-L704 HydrophobicContact CD1-CD1 3.54Å; Y397-L704 HydrophobicContact CD2-CD1 4.19Å; Y397-L704 HydrophobicContact CD2-CD2 4.33Å; Y397-L704 HydrophobicContact CE1-CD1 3.49Å; Y397-L704 VanDerWaalsContact CE1-CD1 3.49Å; Y397-L704 HydrophobicContact CE2-CD1 4.13Å; Y397-L704 HydrophobicContact CG-CD1 3.9Å; Y397-L704 HydrophobicContact CG-CD2 4.4Å; A460-L704 HydrophobicContact CB-CD2 4.18Å; M701-L704 HydrophobicContact CB-CD1 4.49Å; M701-L704 HydrophobicContact CE-CD1 3.71Å; M701-L704 HydrophobicContact SD-CD1 3.85Å; P702-L704 PolarHBondContact O-N 2.85Å
705	F	65.9	Low	71.8	Confident	12 Å²	12	39 Å²	39	5%	0.053	20%	0.198	C	C	.	.			trans	-138.8	38.7	-171.1	-62.4	-66.1	0	0	0	111.1	T394 W694 L697 H698 M701 P702 S707 F711 W714	T394-F705 HydrophobicContact CG2-CE1 4.41Å; T394-F705 HydrophobicContact CG2-CZ 4.44Å; W694-F705 WeakPolarHBondContact CZ2-O 3.36Å; W694-F705 PolarHBondContact NE1-O 3.01Å; W694-F705 VanDerWaalsContact NE1-O 3.1Å; L697-F705 HydrophobicContact CB-CD2 4.14Å; L697-F705 HydrophobicContact CB-CE2 4.3Å; H698-F705 HydrophobicContact CB-CB 4.25Å; H698-F705 PolarHBondContact ND1-O 3.31Å; M701-F705 HydrophobicContact CE-CE2 4.32Å; P702-F705 CarbonylContact O-C 3.43Å; P702-F705 PolarHBondContact O-N 3.46Å; F705-S707 VanDerWaalsContact C-N 3.32Å; F705-S707 PolarHBondContact O-N 3.36Å; F705-F711 HydrophobicContact CD1-CD2 4.32Å; F705-W714 HydrophobicContact CD1-CZ3 4.31Å; F705-W714 HydrophobicContact CE1-CZ3 4.39Å
706	D	66.4	Low	70.7	Confident	116 Å²	116	40.8 Å²	40.8	62%	0.62	21%	0.21	S	C	*	.			trans	-65.2	-29.5	-173.8	-83.3	-52.8	0	0	0	113.9	H698 P702	H698-D706 IonicContact CE1-OD1 3.97Å; H698-D706 PolarHBondContact CE1-OD1 2.93Å; P702-D706 PolarHBondContact O-N 3.32Å
707	S	73.9	Confident	69.4	Low	33 Å²	33	46.6 Å²	46.6	23%	0.231	24%	0.235	C	C	.	.			trans	-96.1	128.3	176.1	-172	0	0	0	0	112.7	W694 F705 E709 E710	W694-S707 PolarHBondContact NE1-O 3.34Å; F705-S707 VanDerWaalsContact C-N 3.32Å; F705-S707 PolarHBondContact O-N 3.36Å; S707-E709 PolarHBondContact OG-N 2.76Å; S707-E710 WeakPolarHBondContact CB-OE2 3.45Å; S707-E710 WeakPolarHBondContact OG-CG 3.38Å; S707-E710 PolarHBondContact OG-N 3.25Å
708	H	69.2	Low	68.1	Low	51 Å²	51	49.4 Å²	49.4	24%	0.236	25%	0.25	C	S	.	.	H	α-helix	trans	-82.1	-32.3	169	-176.1	30.1	0	0	0	112.2	W694 F711 N712	W694-H708 HydrophobicContact CD2-CB 3.9Å; W694-H708 AromaticContact CD2-CG 3.93Å; W694-H708 AromaticContact CD2-ND1 3.58Å; W694-H708 HydrophobicContact CE3-CB 3.86Å; W694-H708 AromaticContact CE3-CG 3.72Å; W694-H708 AromaticContact CE3-ND1 3.62Å; W694-H708 AromaticContact CG-ND1 3.76Å; W694-H708 HydrophobicContact CH2-CB 3.75Å; W694-H708 HydrophobicContact CZ2-CB 3.75Å; W694-H708 HydrophobicContact CZ3-CB 3.78Å; H708-F711 PolarHBondContact O-N 3.18Å; H708-N712 VanDerWaalsContact CE1-CG 3.44Å; H708-N712 PolarHBondContact CE1-ND2 3.35Å; H708-N712 PolarHBondContact CE1-OD1 3.21Å; H708-N712 PolarHBondContact NE2-ND2 2.8Å; H708-N712 PolarHBondContact O-N 3.18Å; H708-N712 PolarHBondContact O-ND2 3.47Å
709	E	67.5	Low	66.7	Low	150 Å²	150	52.3 Å²	52.3	70%	0.701	27%	0.265	S	S	*	.	H	α-helix	trans	-69	-46	-176.4	-70.6	166.8	177.2	0	0	109.7	S707 F711 N712 E713	S707-E709 PolarHBondContact OG-N 2.76Å; E709-F711 PolarHBondContact O-N 3.33Å; E709-N712 PolarHBondContact O-N 3.17Å; E709-E713 WeakPolarHBondContact O-CG 3.5Å; E709-E713 PolarHBondContact O-N 3.44Å
710	E	68.5	Low	65.3	Low	49 Å²	49	58.5 Å²	58.5	23%	0.229	29%	0.294	C	S	.	.	H	α-helix	trans	-58.8	-50.9	172.6	-63.3	179.3	143.3	0	0	110.5	K386 S707 N712 E713 W714	K386-E710 WeakPolarHBondContact CE-OE1 3.35Å; K386-E710 IonicContact NZ-OE1 2.78Å; K386-E710 PolarHBondContact NZ-OE1 3.33Å; S707-E710 WeakPolarHBondContact CB-OE2 3.45Å; S707-E710 WeakPolarHBondContact OG-CG 3.38Å; S707-E710 PolarHBondContact OG-N 3.25Å; E710-N712 PolarHBondContact O-N 3.44Å; E710-E713 WeakPolarHBondContact O-CA 3.3Å; E710-E713 WeakPolarHBondContact O-CB 3.42Å; E710-E713 PolarHBondContact O-N 2.98Å; E710-W714 HydrophobicContact CB-CZ2 3.66Å; E710-W714 PolarHBondContact O-N 3.47Å; E710-W714 PolarHBondContact O-NE1 3.01Å
711	F	70.2	Confident	63.8	Low	5 Å²	5	60.8 Å²	60.8	2%	0.022	31%	0.311	C	S	.	.	H	α-helix	trans	-59.6	-32.3	178.6	-170.9	-83.3	0	0	0	113.6	M690 L693 W694 L697 F705 H708 E709 W714 F715	M690-F711 HydrophobicContact CB-CE1 4.2Å; L693-F711 HydrophobicContact CD2-CZ 4.17Å; L693-F711 HydrophobicContact CG-CZ 4.22Å; W694-F711 HydrophobicContact CB-CD1 3.64Å; W694-F711 HydrophobicContact CB-CE1 3.79Å; W694-F711 HydrophobicContact CB-CG 4.08Å; W694-F711 HydrophobicContact CB-CZ 4.34Å; W694-F711 AromaticContact CD1-CD1 3.86Å; W694-F711 AromaticContact CD1-CD2 3.66Å; W694-F711 AromaticContact CD1-CG 3.37Å; W694-F711 HydrophobicContact CG-CB 4.18Å; W694-F711 HydrophobicContact CG-CD1 4.06Å; W694-F711 HydrophobicContact CG-CG 4.03Å; L697-F711 HydrophobicContact CD1-CE2 3.96Å; L697-F711 HydrophobicContact CD1-CZ 4.08Å; F705-F711 HydrophobicContact CD1-CD2 4.32Å; H708-F711 PolarHBondContact O-N 3.18Å; E709-F711 PolarHBondContact O-N 3.33Å; F711-W714 HydrophobicContact CB-CE3 4.26Å; F711-W714 HydrophobicContact CB-CZ3 4.42Å; F711-W714 AromaticContact CD2-CE3 3.86Å; F711-W714 HydrophobicContact CD2-CE3 3.86Å; F711-W714 AromaticContact CD2-CZ3 3.89Å; F711-W714 HydrophobicContact CD2-CZ3 3.89Å; F711-W714 HydrophobicContact CG-CE3 4.34Å; F711-F715 AromaticContact CD1-CD2 3.98Å; F711-F715 HydrophobicContact CD1-CD2 3.98Å; F711-F715 HydrophobicContact CD1-CE2 4.4Å; F711-F715 HydrophobicContact CD2-CD2 4.36Å; F711-F715 HydrophobicContact CD2-CE2 4Å; F711-F715 AromaticContact CE1-CD2 3.73Å; F711-F715 HydrophobicContact CE1-CD2 3.73Å; F711-F715 HydrophobicContact CE1-CE2 4.03Å; F711-F715 HydrophobicContact CE2-CD2 4.15Å; F711-F715 AromaticContact CE2-CE2 3.61Å; F711-F715 HydrophobicContact CE2-CE2 3.61Å; F711-F715 HydrophobicContact CG-CD2 4.3Å; F711-F715 HydrophobicContact CG-CE2 4.39Å; F711-F715 AromaticContact CZ-CD2 3.82Å; F711-F715 HydrophobicContact CZ-CD2 3.82Å; F711-F715 AromaticContact CZ-CE2 3.63Å; F711-F715 HydrophobicContact CZ-CE2 3.63Å; F711-F715 WeakPolarHBondContact O-CD2 3.32Å
712	N	68.6	Low	62.7	Low	50 Å²	50	63.4 Å²	63.4	27%	0.267	32%	0.323	S	S	.	.	H	α-helix	trans	-69	-47.5	172.2	-72.8	-22.9	0	0	0	110.6	H708 E709 E710 W714 F715 S716	H708-N712 VanDerWaalsContact CE1-CG 3.44Å; H708-N712 PolarHBondContact CE1-ND2 3.35Å; H708-N712 PolarHBondContact CE1-OD1 3.21Å; H708-N712 PolarHBondContact NE2-ND2 2.8Å; H708-N712 PolarHBondContact O-N 3.18Å; H708-N712 PolarHBondContact O-ND2 3.47Å; E709-N712 PolarHBondContact O-N 3.17Å; E710-N712 PolarHBondContact O-N 3.44Å; N712-W714 PolarHBondContact O-N 2.91Å; N712-F715 PolarHBondContact O-N 3.26Å; N712-S716 WeakPolarHBondContact O-CB 3.33Å; N712-S716 PolarHBondContact O-N 3.32Å; N712-S716 PolarHBondContact O-OG 2.81Å
713	E	68.4	Low	61.8	Low	103 Å²	103	65.8 Å²	65.8	48%	0.481	35%	0.345	S	S	.	.	H	α-helix	trans	-55.8	-35.1	176	-70.3	175	166	0	0	112.7	E709 E710 F715	E709-E713 WeakPolarHBondContact O-CG 3.5Å; E709-E713 PolarHBondContact O-N 3.44Å; E710-E713 WeakPolarHBondContact O-CA 3.3Å; E710-E713 WeakPolarHBondContact O-CB 3.42Å; E710-E713 PolarHBondContact O-N 2.98Å; E713-F715 VanDerWaalsContact C-N 3.26Å; E713-F715 PolarHBondContact O-N 3.45Å
714	W	61.6	Low	61.1	Low	35 Å²	35	70.8 Å²	70.8	13%	0.133	36%	0.364	C	S	.	.	H	α-helix	trans	-68	-19.3	178.7	-54.9	-9	0	0	0	114.5	L387 L390 F705 E710 F711 N712	L387-W714 HydrophobicContact CD1-CB 3.85Å; L387-W714 HydrophobicContact CD1-CD2 3.93Å; L387-W714 HydrophobicContact CD1-CG 3.42Å; L387-W714 VanDerWaalsContact CD1-CG 3.42Å; L390-W714 HydrophobicContact CB-CZ2 4.3Å; L390-W714 HydrophobicContact CD2-CH2 3.91Å; L390-W714 HydrophobicContact CD2-CZ2 3.59Å; F705-W714 HydrophobicContact CD1-CZ3 4.31Å; F705-W714 HydrophobicContact CE1-CZ3 4.39Å; E710-W714 HydrophobicContact CB-CZ2 3.66Å; E710-W714 PolarHBondContact O-N 3.47Å; E710-W714 PolarHBondContact O-NE1 3.01Å; F711-W714 HydrophobicContact CB-CE3 4.26Å; F711-W714 HydrophobicContact CB-CZ3 4.42Å; F711-W714 AromaticContact CD2-CE3 3.86Å; F711-W714 HydrophobicContact CD2-CE3 3.86Å; F711-W714 AromaticContact CD2-CZ3 3.89Å; F711-W714 HydrophobicContact CD2-CZ3 3.89Å; F711-W714 HydrophobicContact CG-CE3 4.34Å; N712-W714 PolarHBondContact O-N 2.91Å
715	F	61.1	Low	60.4	Low	30 Å²	30	74 Å²	74	13%	0.132	38%	0.381	C	S	.	.	H	α-helix	trans	-135.5	-16.9	-172.2	-64.8	-64	0	0	0	115.3	M690 F711 N712 E713 I719 L737	M690-F715 HydrophobicContact CG-CB 4.03Å; F711-F715 AromaticContact CD1-CD2 3.98Å; F711-F715 HydrophobicContact CD1-CD2 3.98Å; F711-F715 HydrophobicContact CD1-CE2 4.4Å; F711-F715 HydrophobicContact CD2-CD2 4.36Å; F711-F715 HydrophobicContact CD2-CE2 4Å; F711-F715 AromaticContact CE1-CD2 3.73Å; F711-F715 HydrophobicContact CE1-CD2 3.73Å; F711-F715 HydrophobicContact CE1-CE2 4.03Å; F711-F715 HydrophobicContact CE2-CD2 4.15Å; F711-F715 AromaticContact CE2-CE2 3.61Å; F711-F715 HydrophobicContact CE2-CE2 3.61Å; F711-F715 HydrophobicContact CG-CD2 4.3Å; F711-F715 HydrophobicContact CG-CE2 4.39Å; F711-F715 AromaticContact CZ-CD2 3.82Å; F711-F715 HydrophobicContact CZ-CD2 3.82Å; F711-F715 AromaticContact CZ-CE2 3.63Å; F711-F715 HydrophobicContact CZ-CE2 3.63Å; F711-F715 WeakPolarHBondContact O-CD2 3.32Å; N712-F715 PolarHBondContact O-N 3.26Å; E713-F715 VanDerWaalsContact C-N 3.26Å; E713-F715 PolarHBondContact O-N 3.45Å; F715-I719 HydrophobicContact CB-CD1 4.49Å; F715-I719 VanDerWaalsContact O-CB 3.24Å; F715-I719 WeakPolarHBondContact O-CB 3.26Å; F715-I719 VanDerWaalsContact O-CD1 3.3Å; F715-I719 WeakPolarHBondContact O-CD1 3.35Å; F715-I719 WeakPolarHBondContact O-CG1 3.41Å; F715-L737 HydrophobicContact CD1-CD1 4.25Å; F715-L737 HydrophobicContact CE1-CB 4.45Å; F715-L737 HydrophobicContact CE1-CD1 3.76Å; F715-L737 HydrophobicContact CZ-CD1 3.94Å
716	S	58.1	Low	59.8	Low	38 Å²	38	83.5 Å²	83.5	27%	0.266	42%	0.423	S	S	.	.	H	α-helix	trans	-88	-41.2	-177.7	79.6	0	0	0	0	112.7	N712 D718 I719 E720	N712-S716 WeakPolarHBondContact O-CB 3.33Å; N712-S716 PolarHBondContact O-N 3.32Å; N712-S716 PolarHBondContact O-OG 2.81Å; S716-D718 VanDerWaalsContact C-N 3.29Å; S716-D718 PolarHBondContact O-N 2.96Å; S716-I719 PolarHBondContact O-N 2.84Å; S716-E720 VanDerWaalsContact O-CB 3.24Å; S716-E720 WeakPolarHBondContact O-CB 3.4Å; S716-E720 WeakPolarHBondContact O-CG 3.32Å; S716-E720 PolarHBondContact O-N 3.2Å
717	K	54.7	Low	58.9	Low	138 Å²	138	81.5 Å²	81.5	60%	0.6	42%	0.417	S	S	*	.	H	α-helix	trans	-60.4	-37.8	-171.2	-140	170.2	-173.1	173.5	0	112.8	S721	K717-S721 WeakPolarHBondContact O-CB 3.4Å; K717-S721 PolarHBondContact O-OG 2.78Å
718	D	51.4	Low	57.8	Low	68 Å²	68	84.2 Å²	84.2	36%	0.364	44%	0.442	S	S	.	.	H	α-helix	trans	-86.7	-45.2	176.9	-63.1	-12.1	0	0	0	111.7	S716 E720 S721 H722 Q733	S716-D718 VanDerWaalsContact C-N 3.29Å; S716-D718 PolarHBondContact O-N 2.96Å; D718-E720 PolarHBondContact O-N 3.07Å; D718-S721 PolarHBondContact O-N 2.99Å; D718-S721 PolarHBondContact O-OG 3.44Å; D718-H722 WeakPolarHBondContact O-CB 3.41Å; D718-H722 PolarHBondContact O-CD2 3.46Å; D718-H722 PolarHBondContact O-N 2.81Å; D718-Q733 PolarHBondContact OD2-NE2 3.29Å
719	I	54	Low	57.3	Low	74 Å²	74	87.2 Å²	87.2	38%	0.379	46%	0.458	S	S	.	.	H	α-helix	trans	-69.5	-32.1	-175.9	-61.1	178.8	0	0	0	112.3	M690 F715 S716 A723	M690-I719 HydrophobicContact CE-CD1 3.63Å; F715-I719 HydrophobicContact CB-CD1 4.49Å; F715-I719 VanDerWaalsContact O-CB 3.24Å; F715-I719 WeakPolarHBondContact O-CB 3.26Å; F715-I719 VanDerWaalsContact O-CD1 3.3Å; F715-I719 WeakPolarHBondContact O-CD1 3.35Å; F715-I719 WeakPolarHBondContact O-CG1 3.41Å; S716-I719 PolarHBondContact O-N 2.84Å; I719-A723 PolarHBondContact O-N 3.32Å; I719-A723 VanDerWaalsContact O-N 3.1Å
720	E	54.8	Low	56.8	Low	132 Å²	132	83 Å²	83	62%	0.617	44%	0.441	S	S	*	.	H	α-helix	trans	-77.2	-33.7	175.9	-63.2	-177.7	145.3	0	0	111.7	S716 D718 A723	S716-E720 VanDerWaalsContact O-CB 3.24Å; S716-E720 WeakPolarHBondContact O-CB 3.4Å; S716-E720 WeakPolarHBondContact O-CG 3.32Å; S716-E720 PolarHBondContact O-N 3.2Å; D718-E720 PolarHBondContact O-N 3.07Å; E720-A723 VanDerWaalsContact O-CB 3.32Å; E720-A723 WeakPolarHBondContact O-CB 3.33Å; E720-A723 PolarHBondContact O-N 3.14Å; E720-A723 VanDerWaalsContact O-N 3.09Å
721	S	49.6	Very low	56.5	Low	52 Å²	52	88.2 Å²	88.2	36%	0.364	47%	0.465	S	S	.	.	H	α-helix	trans	-73.3	-28.5	172.7	58.2	0	0	0	0	113.2	K717 D718 A723 N725	K717-S721 WeakPolarHBondContact O-CB 3.4Å; K717-S721 PolarHBondContact O-OG 2.78Å; D718-S721 PolarHBondContact O-N 2.99Å; D718-S721 PolarHBondContact O-OG 3.44Å; S721-A723 VanDerWaalsContact C-N 3.31Å; S721-N725 PolarHBondContact O-N 3.2Å; S721-N725 PolarHBondContact O-ND2 3.32Å
722	H	51.9	Low	56.1	Low	66 Å²	66	92.5 Å²	92.5	31%	0.306	49%	0.488	S	S	.	.	H	α-helix	trans	-73.6	-13.9	164.7	-78.4	-67.5	0	0	0	113.9	D718 N725 S727	D718-H722 WeakPolarHBondContact O-CB 3.41Å; D718-H722 PolarHBondContact O-CD2 3.46Å; D718-H722 PolarHBondContact O-N 2.81Å; H722-N725 CarbonylContact C-O 3.6Å; H722-S727 PolarHBondContact ND1-OG 3.27Å
723	A	52.4	Low	55.7	Low	82 Å²	82	92.8 Å²	92.8	68%	0.678	49%	0.488	S	S	*	.	H	α-helix	trans	-77.9	-29	172.9	0	0	0	0	0	112	I719 E720 S721	I719-A723 PolarHBondContact O-N 3.32Å; I719-A723 VanDerWaalsContact O-N 3.1Å; E720-A723 VanDerWaalsContact O-CB 3.32Å; E720-A723 WeakPolarHBondContact O-CB 3.33Å; E720-A723 PolarHBondContact O-N 3.14Å; E720-A723 VanDerWaalsContact O-N 3.09Å; S721-A723 VanDerWaalsContact C-N 3.31Å
724	E	52	Low	55.7	Low	169 Å²	169	91.7 Å²	91.7	79%	0.79	49%	0.485	S	S	*	.	H	α-helix	trans	-82.7	-39.2	173.1	-59.6	-166	140.4	0	0	111.7
725	N	48.2	Very low	56	Low	101 Å²	101	93.2 Å²	93.2	54%	0.54	50%	0.501	S	S	.	.	S	Bend	trans	-101.9	110.6	180	-65.3	-70.5	0	0	0	112	S721 H722 S727	S721-N725 PolarHBondContact O-N 3.2Å; S721-N725 PolarHBondContact O-ND2 3.32Å; H722-N725 CarbonylContact C-O 3.6Å; N725-S727 PolarHBondContact O-N 3.13Å; N725-S727 PolarHBondContact O-OG 2.73Å
726	K	53.1	Low	56.2	Low	212 Å²	212	95.9 Å²	95.9	92%	0.922	51%	0.51	S	S	*	.			trans	-70.3	33.3	-177	-59.6	177.9	-179.6	171.8	0	115.7
727	S	47.5	Very low	56.8	Low	73 Å²	73	95.5 Å²	95.5	51%	0.51	51%	0.505	S	S	.	.	S	Bend	trans	-71.9	160.2	164.9	43.6	0	0	0	0	110.5	H722 N725	H722-S727 PolarHBondContact ND1-OG 3.27Å; N725-S727 PolarHBondContact O-N 3.13Å; N725-S727 PolarHBondContact O-OG 2.73Å
728	A	51.7	Low	57.6	Low	90 Å²	90	94.2 Å²	94.2	74%	0.744	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-64.3	147.4	173.7	0	0	0	0	0	110.8
729	I	57.4	Low	58.4	Low	114 Å²	114	95.2 Å²	95.2	59%	0.585	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-60.2	139	173.1	-62	159	0	0	0	108.7	E731	I729-E731 PolarHBondContact O-N 3.08Å
730	D	57	Low	59.1	Low	61 Å²	61	93 Å²	93	33%	0.326	49%	0.493	S	S	.	.			trans	-63.5	105.5	169.9	-179.8	19.5	0	0	0	110.6	N732 Q733 L734	D730-N732 PolarHBondContact O-N 2.94Å; D730-N732 VanDerWaalsContact O-N 3.08Å; D730-N732 VanDerWaalsContact OD1-CB 3.3Å; D730-N732 WeakPolarHBondContact OD1-CB 3.41Å; D730-N732 PolarHBondContact OD1-N 3.41Å; D730-N732 VanDerWaalsContact OD1-N 3.08Å; D730-N732 PolarHBondContact OD1-ND2 3.1Å; D730-Q733 HydrophobicContact CB-CG 4.41Å; D730-Q733 PolarHBondContact O-N 3.04Å; D730-L734 PolarHBondContact O-N 3.39Å
731	E	62.3	Low	59.9	Low	160 Å²	160	87.5 Å²	87.5	75%	0.748	47%	0.468	S	S	*	.	H	α-helix	trans	-57.8	-23.9	179	-62.2	-168.5	135.5	0	0	112	I729 S735	I729-E731 PolarHBondContact O-N 3.08Å; E731-S735 WeakPolarHBondContact O-CB 3.39Å; E731-S735 PolarHBondContact O-N 3.46Å; E731-S735 PolarHBondContact O-OG 3.12Å
732	N	62.8	Low	61.1	Low	95 Å²	95	93 Å²	93	51%	0.508	49%	0.485	S	S	.	.	H	α-helix	trans	-67.9	-34.3	177	-60.1	-76.8	0	0	0	112.7	D730 S735 R736	D730-N732 PolarHBondContact O-N 2.94Å; D730-N732 VanDerWaalsContact O-N 3.08Å; D730-N732 VanDerWaalsContact OD1-CB 3.3Å; D730-N732 WeakPolarHBondContact OD1-CB 3.41Å; D730-N732 PolarHBondContact OD1-N 3.41Å; D730-N732 VanDerWaalsContact OD1-N 3.08Å; D730-N732 PolarHBondContact OD1-ND2 3.1Å; N732-S735 WeakPolarHBondContact CA-OG 3.41Å; N732-S735 PolarHBondContact O-OG 3.28Å; N732-R736 VanDerWaalsContact O-CD 3.31Å; N732-R736 WeakPolarHBondContact O-CD 3.25Å; N732-R736 WeakPolarHBondContact O-CG 3.31Å; N732-R736 PolarHBondContact O-N 2.94Å; N732-R736 PolarHBondContact O-NE 3.43Å
733	Q	60	Low	62.1	Low	56 Å²	56	92.3 Å²	92.3	26%	0.262	49%	0.486	S	S	.	.	H	α-helix	trans	-75.5	-43.6	174.8	-64.2	-167.1	5.5	0	0	111.5	D718 D730 S735 R736 L737	D718-Q733 PolarHBondContact OD2-NE2 3.29Å; D730-Q733 HydrophobicContact CB-CG 4.41Å; D730-Q733 PolarHBondContact O-N 3.04Å; Q733-S735 PolarHBondContact O-N 3.12Å; Q733-R736 PolarHBondContact O-N 2.77Å; Q733-L737 PolarHBondContact O-N 2.8Å
734	L	67.3	Low	63.3	Low	80 Å²	80	88.8 Å²	88.8	42%	0.419	46%	0.456	S	S	.	.	H	α-helix	trans	-65.8	-39.5	-179	-176	59	0	0	0	111.9	D730 L737 H738	D730-L734 PolarHBondContact O-N 3.39Å; L734-L737 PolarHBondContact O-N 3.25Å; L734-H738 PolarHBondContact O-CD2 2.66Å; L734-H738 PolarHBondContact O-N 3.29Å
735	S	67.7	Low	64.8	Low	66 Å²	66	82.5 Å²	82.5	46%	0.462	43%	0.427	S	S	.	.	H	α-helix	trans	-67.2	-40.4	175.7	55.8	0	0	0	0	112.9	E731 N732 Q733 H738 M739	E731-S735 WeakPolarHBondContact O-CB 3.39Å; E731-S735 PolarHBondContact O-N 3.46Å; E731-S735 PolarHBondContact O-OG 3.12Å; N732-S735 WeakPolarHBondContact CA-OG 3.41Å; N732-S735 PolarHBondContact O-OG 3.28Å; Q733-S735 PolarHBondContact O-N 3.12Å; S735-H738 PolarHBondContact O-N 2.99Å; S735-M739 WeakPolarHBondContact O-CB 3.45Å; S735-M739 PolarHBondContact O-N 2.63Å
736	R	67.1	Low	66.6	Low	87 Å²	87	79.4 Å²	79.4	33%	0.328	41%	0.41	S	S	.	.	H	α-helix	trans	-59.1	-48.1	171.8	-72.8	169.1	-164.2	-159.1	3.2	111.8	N732 Q733 H738 M739 I740	N732-R736 VanDerWaalsContact O-CD 3.31Å; N732-R736 WeakPolarHBondContact O-CD 3.25Å; N732-R736 WeakPolarHBondContact O-CG 3.31Å; N732-R736 PolarHBondContact O-N 2.94Å; N732-R736 PolarHBondContact O-NE 3.43Å; Q733-R736 PolarHBondContact O-N 2.77Å; R736-H738 VanDerWaalsContact C-N 3.32Å; R736-H738 PolarHBondContact O-N 3.46Å; R736-M739 WeakPolarHBondContact O-CB 3.37Å; R736-M739 PolarHBondContact O-N 3.44Å; R736-M739 VanDerWaalsContact O-N 3.15Å; R736-I740 WeakPolarHBondContact O-CG1 3.47Å; R736-I740 PolarHBondContact O-N 3.08Å
737	L	70.4	Confident	68.2	Low	29 Å²	29	76.1 Å²	76.1	15%	0.152	39%	0.392	C	S	.	.	H	α-helix	trans	-61.2	-40.3	176.4	178.5	146.4	0	0	0	111.6	L693 F715 Q733 L734 L741	L693-L737 HydrophobicContact CD2-CD1 4.05Å; F715-L737 HydrophobicContact CD1-CD1 4.25Å; F715-L737 HydrophobicContact CE1-CB 4.45Å; F715-L737 HydrophobicContact CE1-CD1 3.76Å; F715-L737 HydrophobicContact CZ-CD1 3.94Å; Q733-L737 PolarHBondContact O-N 2.8Å; L734-L737 PolarHBondContact O-N 3.25Å; L737-L741 HydrophobicContact CD2-CD1 3.59Å; L737-L741 HydrophobicContact CG-CD1 4.18Å; L737-L741 WeakPolarHBondContact O-CB 3.01Å; L737-L741 VanDerWaalsContact O-CG 3.3Å; L737-L741 WeakPolarHBondContact O-CG 3.25Å; L737-L741 PolarHBondContact O-N 3.4Å; L737-L741 VanDerWaalsContact O-N 3.09Å
738	H	70.2	Confident	70	Confident	111 Å²	111	74.3 Å²	74.3	51%	0.514	37%	0.374	S	S	.	.	H	α-helix	trans	-64.7	-39.7	173.1	-82.4	-54.7	0	0	0	113.1	L734 S735 R736 L741 K742	L734-H738 PolarHBondContact O-CD2 2.66Å; L734-H738 PolarHBondContact O-N 3.29Å; S735-H738 PolarHBondContact O-N 2.99Å; R736-H738 VanDerWaalsContact C-N 3.32Å; R736-H738 PolarHBondContact O-N 3.46Å; H738-L741 PolarHBondContact O-N 3.33Å; H738-K742 VanDerWaalsContact O-CB 3.31Å; H738-K742 WeakPolarHBondContact O-CB 3.47Å; H738-K742 PolarHBondContact O-N 3.09Å
739	M	68.4	Low	71.6	Confident	89 Å²	89	73.5 Å²	73.5	44%	0.438	36%	0.356	S	S	.	.	H	α-helix	trans	-61.4	-45.4	176.8	-174.1	170.9	72.7	0	0	111.7	E395 S735 R736 L741 P743	E395-M739 VanDerWaalsContact CD-CE 3.41Å; E395-M739 HydrophobicContact CG-CE 3.7Å; E395-M739 WeakPolarHBondContact OE1-CE 3.33Å; S735-M739 WeakPolarHBondContact O-CB 3.45Å; S735-M739 PolarHBondContact O-N 2.63Å; R736-M739 WeakPolarHBondContact O-CB 3.37Å; R736-M739 PolarHBondContact O-N 3.44Å; R736-M739 VanDerWaalsContact O-N 3.15Å; M739-L741 VanDerWaalsContact C-N 3.34Å; M739-L741 PolarHBondContact O-N 3.38Å; M739-P743 VanDerWaalsContact O-CD 3.32Å; M739-P743 WeakPolarHBondContact O-CD 3.42Å
740	I	68.8	Low	72.8	Confident	27 Å²	27	70.9 Å²	70.9	14%	0.138	34%	0.341	C	S	.	.	H	α-helix	trans	-64.1	-37.3	177	-66.2	167.5	0	0	0	111.5	R736 F744	R736-I740 WeakPolarHBondContact O-CG1 3.47Å; R736-I740 PolarHBondContact O-N 3.08Å; I740-F744 VanDerWaalsContact O-CD2 3.24Å; I740-F744 WeakPolarHBondContact O-CD2 3.23Å; I740-F744 WeakPolarHBondContact O-CE2 3.39Å
741	L	73.1	Confident	74	Confident	17 Å²	17	75.5 Å²	75.5	9%	0.089	36%	0.358	C	S	.	.	H	α-helix	trans	-81	-27.9	-179	-69.5	177.7	0	0	0	114.6	L693 L697 L737 H738 M739 F744 M745	L693-L741 HydrophobicContact CD1-CD1 4.3Å; L693-L741 HydrophobicContact CD1-CD2 4.23Å; L697-L741 HydrophobicContact CD1-CD2 4.26Å; L697-L741 HydrophobicContact CD2-CD2 3.67Å; L697-L741 HydrophobicContact CG-CD2 4.41Å; L737-L741 HydrophobicContact CD2-CD1 3.59Å; L737-L741 HydrophobicContact CG-CD1 4.18Å; L737-L741 WeakPolarHBondContact O-CB 3.01Å; L737-L741 VanDerWaalsContact O-CG 3.3Å; L737-L741 WeakPolarHBondContact O-CG 3.25Å; L737-L741 PolarHBondContact O-N 3.4Å; L737-L741 VanDerWaalsContact O-N 3.09Å; H738-L741 PolarHBondContact O-N 3.33Å; M739-L741 VanDerWaalsContact C-N 3.34Å; M739-L741 PolarHBondContact O-N 3.38Å; L741-F744 PolarHBondContact O-N 2.61Å; L741-F744 VanDerWaalsContact O-N 3.07Å; L741-M745 HydrophobicContact CB-CE 4.27Å; L741-M745 HydrophobicContact CD1-CE 3.96Å; L741-M745 HydrophobicContact CD2-CE 4.03Å; L741-M745 HydrophobicContact CG-CE 4.33Å; L741-M745 PolarHBondContact O-N 3.47Å
742	K	73	Confident	74.5	Confident	169 Å²	169	73 Å²	73	74%	0.735	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-41.3	-174.8	-169.5	174.6	-177.9	-178.2	0	115.4	H738	H738-K742 VanDerWaalsContact O-CB 3.31Å; H738-K742 WeakPolarHBondContact O-CB 3.47Å; H738-K742 PolarHBondContact O-N 3.09Å
743	P	73.8	Confident	75	Confident	50 Å²	50	70.2 Å²	70.2	33%	0.325	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-30.2	176.4	26.6	-33.8	0	0	0	113.6	W530 M739	W530-P743 WeakPolarHBondContact CZ2-O 3.48Å; M739-P743 VanDerWaalsContact O-CD 3.32Å; M739-P743 WeakPolarHBondContact O-CD 3.42Å
744	F	77	Confident	75.3	Confident	9 Å²	9	69.3 Å²	69.3	4%	0.039	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-14.8	-173.9	-53.4	-66.6	0	0	0	114.3	I539 I542 M701 I740 L741	I539-F744 HydrophobicContact CG2-CD1 3.73Å; I539-F744 HydrophobicContact CG2-CE1 3.75Å; I542-F744 PolarHBondContact N-O 3.29Å; M701-F744 HydrophobicContact CE-CD1 4.46Å; M701-F744 HydrophobicContact CE-CD2 4.47Å; M701-F744 HydrophobicContact CE-CE1 3.73Å; M701-F744 HydrophobicContact CE-CE2 3.74Å; M701-F744 HydrophobicContact CE-CZ 3.32Å; M701-F744 HydrophobicContact SD-CE1 4.04Å; M701-F744 HydrophobicContact SD-CZ 4.11Å; I740-F744 VanDerWaalsContact O-CD2 3.24Å; I740-F744 WeakPolarHBondContact O-CD2 3.23Å; I740-F744 WeakPolarHBondContact O-CE2 3.39Å; L741-F744 PolarHBondContact O-N 2.61Å; L741-F744 VanDerWaalsContact O-N 3.07Å
745	M	83.5	Confident	75.5	Confident	36 Å²	36	73 Å²	73	18%	0.177	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	114.7	-172.7	-170.1	-169.6	-45	0	0	113.2	I542 A544 I686 L741	I542-M745 HydrophobicContact CB-CB 4.3Å; I542-M745 HydrophobicContact CB-CG 4.1Å; I542-M745 HydrophobicContact CD1-CE 4.27Å; I542-M745 HydrophobicContact CG2-CG 4.14Å; I542-M745 WeakPolarHBondContact O-CA 3.5Å; A544-M745 HydrophobicContact CB-CG 3.98Å; A544-M745 HydrophobicContact CB-SD 4.2Å; I686-M745 HydrophobicContact CD1-CE 3.47Å; I686-M745 VanDerWaalsContact CD1-CE 3.47Å; I686-M745 HydrophobicContact CD1-SD 4.25Å; L741-M745 HydrophobicContact CB-CE 4.27Å; L741-M745 HydrophobicContact CD1-CE 3.96Å; L741-M745 HydrophobicContact CD2-CE 4.03Å; L741-M745 HydrophobicContact CG-CE 4.33Å; L741-M745 PolarHBondContact O-N 3.47Å
746	L	86	Confident	75.8	Confident	37 Å²	37	77.1 Å²	77.1	19%	0.194	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	121.7	168.1	-177.3	60.8	0	0	0	109.7	W530 I542 L543 A544	W530-L746 HydrophobicContact CB-CD2 4.32Å; W530-L746 HydrophobicContact CD2-CB 3.84Å; W530-L746 HydrophobicContact CD2-CD2 3.98Å; W530-L746 HydrophobicContact CD2-CG 4.48Å; W530-L746 HydrophobicContact CE3-CB 3.59Å; W530-L746 HydrophobicContact CE3-CD2 3.74Å; W530-L746 HydrophobicContact CE3-CG 4.32Å; W530-L746 HydrophobicContact CG-CD2 4.25Å; W530-L746 HydrophobicContact CH2-CB 3.64Å; W530-L746 VanDerWaalsContact CH2-N 3.32Å; W530-L746 HydrophobicContact CZ2-CB 3.86Å; W530-L746 HydrophobicContact CZ3-CB 3.5Å; W530-L746 VanDerWaalsContact CZ3-CB 3.5Å; W530-L746 HydrophobicContact CZ3-CD2 4.41Å; I542-L746 PolarHBondContact O-N 2.81Å; L543-L746 HydrophobicContact CD1-CB 4.12Å; L543-L746 HydrophobicContact CD1-CD2 3.96Å; L543-L746 HydrophobicContact CD1-CG 4.2Å; A544-L746 WeakPolarHBondContact CA-O 3.1Å; A544-L746 PolarHBondContact N-O 3.38Å
747	R	86.4	Confident	76.2	Confident	143 Å²	143	77.5 Å²	77.5	54%	0.54	37%	0.372	S	S	.	.			trans	-133.4	130.7	179.9	175.6	173	173.1	-162.6	-6.9	110.3	A544	A544-R747 HydrophobicContact CB-CB 4.09Å; A544-R747 HydrophobicContact CB-CG 4.47Å
748	R	86.6	Confident	76.6	Confident	34 Å²	34	81.8 Å²	81.8	13%	0.128	40%	0.404	C	S	.	.			trans	-140.5	145.2	177.6	-64.4	170.4	-72.4	-161.3	5.2	110.5	Y523 D545 E546 L549 V753	Y523-R748 PolarHBondContact O-NH1 2.98Å; D545-R748 WeakPolarHBondContact OD1-CB 3.2Å; D545-R748 IonicContact OD1-CZ 2.78Å; D545-R748 IonicContact OD1-NE 4Å; D545-R748 PolarHBondContact OD1-NE 3.26Å; D545-R748 IonicContact OD1-NH2 3.69Å; D545-R748 PolarHBondContact OD1-NH2 3.19Å; D545-R748 IonicContact OD2-CZ 2.63Å; D545-R748 IonicContact OD2-NE 2.88Å; D545-R748 IonicContact OD2-NH2 3.11Å; D545-R748 PolarHBondContact OD2-NH2 3.28Å; E546-R748 PolarHBondContact N-O 3.16Å; L549-R748 HydrophobicContact CD1-CB 4.12Å; L549-R748 WeakPolarHBondContact CD1-O 3.39Å; R748-V753 HydrophobicContact CB-CG2 4.06Å
749	I	85.1	Confident	77.1	Confident	73 Å²	73	82.7 Å²	82.7	37%	0.374	41%	0.413	S	S	.	.			trans	-104.9	150.4	177.2	-50.2	175.3	0	0	0	107.9	E546 K751 D752 V753	E546-I749 WeakPolarHBondContact OE2-CG2 3.46Å; I749-K751 PolarHBondContact O-N 3.48Å; I749-D752 WeakPolarHBondContact CA-OD2 3.35Å; I749-D752 VanDerWaalsContact CB-OD2 3.3Å; I749-D752 WeakPolarHBondContact CB-OD2 3Å; I749-D752 PolarHBondContact N-OD2 2.93Å; I749-D752 PolarHBondContact O-N 3.29Å; I749-V753 WeakPolarHBondContact O-CG2 3.31Å
750	K	83.4	Confident	77.9	Confident	60 Å²	60	86.4 Å²	86.4	26%	0.261	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-55.3	-35.4	179.3	-74.1	173	-173.2	128.7	0	113.7	E546 M547 L549 D752 V753 E754 L757	E546-K750 WeakPolarHBondContact OE1-CD 3.37Å; E546-K750 WeakPolarHBondContact OE1-CE 3.32Å; E546-K750 IonicContact OE1-NZ 3.87Å; E546-K750 PolarHBondContact OE1-NZ 2.98Å; E546-K750 WeakPolarHBondContact OE2-CG 3.24Å; E546-K750 PolarHBondContact OE2-N 3.37Å; M547-K750 WeakPolarHBondContact O-CE 3.44Å; M547-K750 PolarHBondContact O-NZ 3.43Å; L549-K750 HydrophobicContact CD2-CG 4.3Å; L549-K750 HydrophobicContact CG-CG 4.45Å; K750-D752 PolarHBondContact O-N 3.45Å; K750-V753 PolarHBondContact O-N 3.16Å; K750-V753 VanDerWaalsContact O-N 3.14Å; K750-E754 PolarHBondContact O-N 2.97Å; K750-L757 HydrophobicContact CB-CD1 4.02Å; K750-L757 HydrophobicContact CD-CD1 3.85Å; K750-L757 HydrophobicContact CG-CD1 4.19Å
751	K	80.6	Confident	78.8	Confident	157 Å²	157	92 Å²	92	68%	0.683	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-59.4	-28.6	177.5	-69.7	-159.3	169.7	-147.4	0	113.3	I749 V753 D759	I749-K751 PolarHBondContact O-N 3.48Å; K751-V753 VanDerWaalsContact C-N 3.28Å; K751-V753 PolarHBondContact O-N 3.37Å; K751-D759 IonicContact NZ-OD1 3.67Å
752	D	74.1	Confident	79.6	Confident	108 Å²	108	97.9 Å²	97.9	58%	0.578	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-86.2	-3.2	-177	-26.6	-37.7	0	0	0	112.1	I749 K750	I749-D752 WeakPolarHBondContact CA-OD2 3.35Å; I749-D752 VanDerWaalsContact CB-OD2 3.3Å; I749-D752 WeakPolarHBondContact CB-OD2 3Å; I749-D752 PolarHBondContact N-OD2 2.93Å; I749-D752 PolarHBondContact O-N 3.29Å; K750-D752 PolarHBondContact O-N 3.45Å
753	V	72.6	Confident	80.5	Confident	36 Å²	36	96.6 Å²	96.6	22%	0.218	48%	0.482	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.7	-32.9	-159.1	-179.4	0	0	0	0	113.9	Y523 L549 R748 I749 K750 K751	Y523-V753 HydrophobicContact CD1-CG1 3.11Å; Y523-V753 HydrophobicContact CD2-CG1 3.83Å; Y523-V753 HydrophobicContact CE1-CG1 3.34Å; Y523-V753 HydrophobicContact CE2-CG1 4.05Å; Y523-V753 HydrophobicContact CG-CG1 3.36Å; L549-V753 HydrophobicContact CD2-CB 4.2Å; L549-V753 HydrophobicContact CD2-CG1 3.87Å; R748-V753 HydrophobicContact CB-CG2 4.06Å; I749-V753 WeakPolarHBondContact O-CG2 3.31Å; K750-V753 PolarHBondContact O-N 3.16Å; K750-V753 VanDerWaalsContact O-N 3.14Å; K751-V753 VanDerWaalsContact C-N 3.28Å; K751-V753 PolarHBondContact O-N 3.37Å
754	E	66.6	Low	81.4	Confident	37 Å²	37	100.7 Å²	100.7	17%	0.173	50%	0.501	C	S	.	.			trans	-143.6	78.3	-164.4	-159.5	157.3	-108.7	0	0	112.5	K521 K750 E756 L757	K521-E754 IonicContact NZ-OE1 2.66Å; K521-E754 PolarHBondContact NZ-OE1 3.22Å; K750-E754 PolarHBondContact O-N 2.97Å; E754-E756 HydrophobicContact CG-CB 4.36Å; E754-E756 PolarHBondContact O-N 3.37Å; E754-L757 HydrophobicContact CB-CD1 4.18Å; E754-L757 HydrophobicContact CG-CD1 4.26Å; E754-L757 HydrophobicContact CG-CG 4.25Å; E754-L757 PolarHBondContact O-N 3.29Å
755	N	70.8	Confident	82.1	Confident	157 Å²	157	104.4 Å²	104.4	84%	0.84	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-6.6	177.2	-63.1	7.3	0	0	0	114.3	L757	N755-L757 PolarHBondContact O-N 2.89Å
756	E	74	Confident	82.6	Confident	154 Å²	154	112.5 Å²	112.5	72%	0.72	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-12.8	177.3	-59	174.5	153.2	0	0	112.6	K521 E754	K521-E756 IonicContact NZ-OE2 3.33Å; K521-E756 PolarHBondContact NZ-OE2 2.84Å; E754-E756 HydrophobicContact CG-CB 4.36Å; E754-E756 PolarHBondContact O-N 3.37Å
757	L	76.4	Confident	82.9	Confident	94 Å²	94	113.2 Å²	113.2	49%	0.492	56%	0.561	S	S	.	*	S	Bend	trans	-91.4	130.7	-175.9	-68.1	171.7	0	0	0	112.9	K750 E754 N755	K750-L757 HydrophobicContact CB-CD1 4.02Å; K750-L757 HydrophobicContact CD-CD1 3.85Å; K750-L757 HydrophobicContact CG-CD1 4.19Å; E754-L757 HydrophobicContact CB-CD1 4.18Å; E754-L757 HydrophobicContact CG-CD1 4.26Å; E754-L757 HydrophobicContact CG-CG 4.25Å; E754-L757 PolarHBondContact O-N 3.29Å; N755-L757 PolarHBondContact O-N 2.89Å
758	S	78.6	Confident	83.3	Confident	119 Å²	119	113.6 Å²	113.6	83%	0.832	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-68.5	150.4	174.7	-41.7	0	0	0	0	112.8
759	D	81.1	Confident	83.6	Confident	130 Å²	130	114.1 Å²	114.1	70%	0.695	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-61.4	141.4	178.9	-91	-55.2	0	0	0	113.9	K751	K751-D759 IonicContact NZ-OD1 3.67Å
760	K	83.9	Confident	84	Confident	168 Å²	168	111.9 Å²	111.9	73%	0.73	56%	0.564	S	S	*	*			trans	-89.4	109.6	176.5	-173.3	-160.1	-176.6	-165.3	0	110.3	E762	K760-E762 VanDerWaalsContact CE-OE1 3.22Å; K760-E762 WeakPolarHBondContact CE-OE1 3.36Å; K760-E762 IonicContact NZ-OE1 3.66Å; K760-E762 PolarHBondContact NZ-OE1 3.29Å
761	I	87.8	Confident	84.4	Confident	145 Å²	145	114 Å²	114	74%	0.744	59%	0.586	S	S	*	*			trans	-92.5	132.3	173.6	-54.2	175.5	0	0	0	109.7	I763	I761-I763 HydrophobicContact CG2-CD1 4.45Å; I761-I763 HydrophobicContact CG2-CG1 4.07Å
762	E	91	Very high	84.9	Confident	139 Å²	139	109.6 Å²	109.6	65%	0.65	57%	0.566	S	S	*	*			trans	-113.5	130.8	172.5	-65.4	-170	-167.9	0	0	110.5	K760	K760-E762 VanDerWaalsContact CE-OE1 3.22Å; K760-E762 WeakPolarHBondContact CE-OE1 3.36Å; K760-E762 IonicContact NZ-OE1 3.66Å; K760-E762 PolarHBondContact NZ-OE1 3.29Å
763	I	91.3	Very high	85.8	Confident	142 Å²	142	104.5 Å²	104.5	73%	0.728	54%	0.538	S	S	*	.			trans	-124.3	122	-177.3	-55.8	179.1	0	0	0	109.2	I761	I761-I763 HydrophobicContact CG2-CD1 4.45Å; I761-I763 HydrophobicContact CG2-CG1 4.07Å
764	L	93.6	Very high	86.8	Confident	137 Å²	137	107.2 Å²	107.2	72%	0.717	55%	0.547	S	S	*	.			trans	-97.4	103.3	-177.2	-64.9	176.2	0	0	0	111.6	Y766	L764-Y766 HydrophobicContact CB-CE2 4.37Å
765	T	91.1	Very high	88.1	Confident	87 Å²	87	110.9 Å²	110.9	53%	0.534	57%	0.567	S	S	.	*			trans	-94.5	103.1	-179.8	-51.8	0	0	0	0	111.9	C767	T765-C767 PolarHBondContact O-N 3.07Å
766	Y	93.4	Very high	89.1	Confident	206 Å²	206	103.9 Å²	103.9	81%	0.808	53%	0.53	S	S	*	.	P	Polyproline II helix	trans	-72.9	117.6	176.8	-65.5	-86.3	0	0	0	111.8	L764	L764-Y766 HydrophobicContact CB-CE2 4.37Å
767	C	93.4	Very high	90	Very high	51 Å²	51	100.6 Å²	100.6	35%	0.345	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-103.9	134.1	-177.7	-60.4	0	0	0	0	111.8	T765 K1105	T765-C767 PolarHBondContact O-N 3.07Å; C767-K1105 HydrophobicContact CB-CG 3.75Å
768	Q	93	Very high	90.7	Very high	151 Å²	151	101.8 Å²	101.8	71%	0.706	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-78.5	149.2	176.7	-69.5	-66.5	-18.8	0	0	112.4
769	L	93.1	Very high	91.2	Very high	45 Å²	45	97.9 Å²	97.9	24%	0.236	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-80	136.3	173.3	-63.7	178.3	0	0	0	111.3	Q773 K774 Y777 C818	L769-Q773 HydrophobicContact CB-CB 4.08Å; L769-Q773 HydrophobicContact CD2-CB 4.18Å; L769-K774 HydrophobicContact CB-CD 4.49Å; L769-K774 HydrophobicContact CB-CG 3.81Å; L769-K774 WeakPolarHBondContact O-CD 3.47Å; L769-K774 WeakPolarHBondContact O-CE 3.3Å; L769-K774 PolarHBondContact O-NZ 3.12Å; L769-Y777 HydrophobicContact CD1-CD2 4.45Å; L769-C818 HydrophobicContact CD2-CB 4.3Å
770	T	94.4	Very high	91.5	Very high	27 Å²	27	92.1 Å²	92.1	17%	0.166	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-69.5	169.1	174.9	67.8	0	0	0	0	112.2	R772 Q773 K774 T1101 D1102 G1104	T770-R772 VanDerWaalsContact C-N 3.32Å; T770-R772 PolarHBondContact O-N 3.01Å; T770-Q773 PolarHBondContact O-N 3.28Å; T770-Q773 WeakPolarHBondContact OG1-CB 3.43Å; T770-Q773 WeakPolarHBondContact OG1-CG 3.49Å; T770-Q773 PolarHBondContact OG1-N 3.07Å; T770-Q773 VanDerWaalsContact OG1-N 3.16Å; T770-Q773 PolarHBondContact OG1-OE1 3.07Å; T770-K774 WeakPolarHBondContact O-CB 3.33Å; T770-K774 WeakPolarHBondContact O-CG 3.16Å; T770-K774 PolarHBondContact O-N 2.98Å; T770-T1101 WeakPolarHBondContact CG2-O 3.41Å; T770-D1102 WeakPolarHBondContact CG2-O 3.26Å; T770-D1102 PolarHBondContact OG1-O 3.28Å; T770-G1104 VanDerWaalsContact CG2-N 3.34Å
771	S	92.3	Very high	91.6	Very high	103 Å²	103	90.6 Å²	90.6	72%	0.72	45%	0.452	S	S	*	.	H	α-helix	trans	-58.8	-40.6	176.3	-54.4	0	0	0	0	112.7	L775	S771-L775 WeakPolarHBondContact O-CB 3.28Å; S771-L775 PolarHBondContact O-N 2.8Å
772	R	90	Very high	91.5	Very high	66 Å²	66	90.1 Å²	90.1	25%	0.249	45%	0.451	C	S	.	.	H	α-helix	trans	-68.9	-42.6	176	178.7	157.6	162.2	74.9	2.8	111.8	T770 L775 L776 P821 E825 D1102	T770-R772 VanDerWaalsContact C-N 3.32Å; T770-R772 PolarHBondContact O-N 3.01Å; R772-L775 PolarHBondContact O-N 3.47Å; R772-L776 HydrophobicContact CG-CD1 4.16Å; R772-L776 WeakPolarHBondContact O-CB 3.49Å; R772-L776 WeakPolarHBondContact O-CG 3.49Å; R772-L776 PolarHBondContact O-N 2.88Å; R772-P821 HydrophobicContact CG-CB 4.16Å; R772-P821 HydrophobicContact CG-CG 4.5Å; R772-E825 IonicContact CZ-OE2 2.7Å; R772-E825 IonicContact NH1-OE2 3.69Å; R772-E825 PolarHBondContact NH1-OE2 2.93Å; R772-E825 PolarHBondContact NH2-O 3.49Å; R772-E825 IonicContact NH2-OE2 2.56Å; R772-E825 PolarHBondContact NH2-OE2 2.95Å; R772-D1102 WeakPolarHBondContact CD-OD1 3.43Å; R772-D1102 WeakPolarHBondContact CD-OD2 3.35Å; R772-D1102 IonicContact NE-OD2 2.59Å; R772-D1102 PolarHBondContact NE-OD2 3.45Å; R772-D1102 VanDerWaalsContact NE-OD2 3.11Å
773	Q	93.9	Very high	90.8	Very high	1 Å²	1	90.2 Å²	90.2	1%	0.005	45%	0.449	C	S	.	.	H	α-helix	trans	-62.1	-45.3	173.9	-72.3	177.2	-53.4	0	0	112.2	L769 T770 L776 Y777 V817 P821 S1103	L769-Q773 HydrophobicContact CB-CB 4.08Å; L769-Q773 HydrophobicContact CD2-CB 4.18Å; T770-Q773 PolarHBondContact O-N 3.28Å; T770-Q773 WeakPolarHBondContact OG1-CB 3.43Å; T770-Q773 WeakPolarHBondContact OG1-CG 3.49Å; T770-Q773 PolarHBondContact OG1-N 3.07Å; T770-Q773 VanDerWaalsContact OG1-N 3.16Å; T770-Q773 PolarHBondContact OG1-OE1 3.07Å; Q773-L776 PolarHBondContact O-N 2.93Å; Q773-Y777 WeakPolarHBondContact O-CB 3.41Å; Q773-Y777 PolarHBondContact O-N 3.45Å; Q773-V817 HydrophobicContact CB-CG1 4.36Å; Q773-V817 PolarHBondContact NE2-O 3.29Å; Q773-V817 WeakPolarHBondContact O-CG1 3.21Å; Q773-P821 HydrophobicContact CG-CG 4.41Å; Q773-S1103 PolarHBondContact NE2-OG 3.13Å
774	K	94	Very high	89.8	Confident	92 Å²	92	85.6 Å²	85.6	40%	0.4	43%	0.426	S	S	.	.	H	α-helix	trans	-59.4	-46.5	177.4	-78.9	166.2	170.3	147	0	111.7	L769 T770 Y777 Q778	L769-K774 HydrophobicContact CB-CD 4.49Å; L769-K774 HydrophobicContact CB-CG 3.81Å; L769-K774 WeakPolarHBondContact O-CD 3.47Å; L769-K774 WeakPolarHBondContact O-CE 3.3Å; L769-K774 PolarHBondContact O-NZ 3.12Å; T770-K774 WeakPolarHBondContact O-CB 3.33Å; T770-K774 WeakPolarHBondContact O-CG 3.16Å; T770-K774 PolarHBondContact O-N 2.98Å; K774-Y777 PolarHBondContact O-N 2.74Å; K774-Q778 WeakPolarHBondContact O-CB 3.41Å; K774-Q778 VanDerWaalsContact O-CG 3.29Å; K774-Q778 WeakPolarHBondContact O-CG 3.48Å; K774-Q778 PolarHBondContact O-N 2.9Å
775	L	92.8	Very high	88.2	Confident	114 Å²	114	81.4 Å²	81.4	60%	0.597	41%	0.408	S	S	*	.	H	α-helix	trans	-62	-47.4	177.3	-170.9	158.9	0	0	0	111.4	S771 R772 Y777 Q778 A779	S771-L775 WeakPolarHBondContact O-CB 3.28Å; S771-L775 PolarHBondContact O-N 2.8Å; R772-L775 PolarHBondContact O-N 3.47Å; L775-Y777 PolarHBondContact O-N 2.91Å; L775-Q778 PolarHBondContact O-N 3.43Å; L775-A779 VanDerWaalsContact O-CB 3.23Å; L775-A779 WeakPolarHBondContact O-CB 3.42Å; L775-A779 PolarHBondContact O-N 3.27Å
776	L	92.3	Very high	86.8	Confident	10 Å²	10	83 Å²	83	5%	0.052	41%	0.412	C	S	.	.	H	α-helix	trans	-64.8	-38.1	177.4	-71.3	174	0	0	0	112.4	R772 Q773 A779 L780 V817 P821 F824	R772-L776 HydrophobicContact CG-CD1 4.16Å; R772-L776 WeakPolarHBondContact O-CB 3.49Å; R772-L776 WeakPolarHBondContact O-CG 3.49Å; R772-L776 PolarHBondContact O-N 2.88Å; Q773-L776 PolarHBondContact O-N 2.93Å; L776-A779 PolarHBondContact O-N 2.91Å; L776-L780 WeakPolarHBondContact O-CG 3.38Å; L776-L780 PolarHBondContact O-N 3.3Å; L776-V817 HydrophobicContact CB-CG1 3.87Å; L776-V817 HydrophobicContact CB-CG2 4.29Å; L776-P821 HydrophobicContact CD1-CB 3.75Å; L776-F824 HydrophobicContact CD2-CD1 4.19Å; L776-F824 HydrophobicContact CD2-CE1 4.23Å
777	Y	92.3	Very high	85	Confident	86 Å²	86	79.7 Å²	79.7	34%	0.337	40%	0.404	S	S	.	.	H	α-helix	trans	-66.5	-44.3	176.8	-168.1	-81.8	0	0	0	111.7	L769 Q773 K774 L775 L780 K781 F814 C818	L769-Y777 HydrophobicContact CD1-CD2 4.45Å; Q773-Y777 WeakPolarHBondContact O-CB 3.41Å; Q773-Y777 PolarHBondContact O-N 3.45Å; K774-Y777 PolarHBondContact O-N 2.74Å; L775-Y777 PolarHBondContact O-N 2.91Å; Y777-L780 PolarHBondContact O-N 3.46Å; Y777-K781 PolarHBondContact O-N 2.92Å; Y777-F814 HydrophobicContact CD1-CD1 4.45Å; Y777-F814 HydrophobicContact CD1-CE1 4.2Å; Y777-F814 AromaticContact CD2-CD1 3.55Å; Y777-F814 HydrophobicContact CD2-CD1 3.55Å; Y777-F814 HydrophobicContact CD2-CE1 4.11Å; Y777-F814 HydrophobicContact CE1-CD1 4.28Å; Y777-F814 HydrophobicContact CE1-CE1 4.07Å; Y777-F814 HydrophobicContact CE2-CB 4.11Å; Y777-F814 AromaticContact CE2-CD1 3.34Å; Y777-F814 HydrophobicContact CE2-CD1 3.34Å; Y777-F814 AromaticContact CE2-CE1 3.97Å; Y777-F814 HydrophobicContact CE2-CE1 3.97Å; Y777-F814 HydrophobicContact CE2-CG 4.01Å; Y777-F814 HydrophobicContact CG-CD1 4.11Å; Y777-F814 HydrophobicContact CG-CE1 4.22Å; Y777-F814 AromaticContact CZ-CD1 3.74Å; Y777-F814 AromaticContact CZ-CE1 3.94Å; Y777-C818 VanDerWaalsContact CD2-SG 3.6Å; Y777-C818 VanDerWaalsContact CE2-SG 3.54Å
778	Q	91.3	Very high	83.4	Confident	118 Å²	118	82.4 Å²	82.4	55%	0.551	42%	0.415	S	S	*	.	H	α-helix	trans	-64.1	-41.1	172.8	-72.1	172.3	-9.5	0	0	111.6	K774 L775 L780 K781 N782	K774-Q778 WeakPolarHBondContact O-CB 3.41Å; K774-Q778 VanDerWaalsContact O-CG 3.29Å; K774-Q778 WeakPolarHBondContact O-CG 3.48Å; K774-Q778 PolarHBondContact O-N 2.9Å; L775-Q778 PolarHBondContact O-N 3.43Å; Q778-L780 PolarHBondContact O-N 2.87Å; Q778-K781 PolarHBondContact O-N 3.24Å; Q778-N782 WeakPolarHBondContact O-CB 3.13Å; Q778-N782 PolarHBondContact O-N 3.25Å; Q778-N782 PolarHBondContact O-OD1 3Å
779	A	89.4	Confident	81.9	Confident	38 Å²	38	78.3 Å²	78.3	31%	0.314	40%	0.397	S	S	.	.	H	α-helix	trans	-69.3	-19	175.7	0	0	0	0	0	113.8	L775 L776 K783	L775-A779 VanDerWaalsContact O-CB 3.23Å; L775-A779 WeakPolarHBondContact O-CB 3.42Å; L775-A779 PolarHBondContact O-N 3.27Å; L776-A779 PolarHBondContact O-N 2.91Å; A779-K783 VanDerWaalsContact O-CD 3.28Å; A779-K783 WeakPolarHBondContact O-CD 3.31Å; A779-K783 VanDerWaalsContact O-CE 3.26Å; A779-K783 WeakPolarHBondContact O-CE 3.47Å; A779-K783 WeakPolarHBondContact O-CG 3.41Å
780	L	87.9	Confident	80.3	Confident	8 Å²	8	81.5 Å²	81.5	4%	0.042	41%	0.414	C	S	.	.	H	α-helix	trans	-79.9	-48.2	165.1	-77	174.1	0	0	0	111.1	L776 Y777 Q778 N782 K783 Q813 F814 V817 F824	L776-L780 WeakPolarHBondContact O-CG 3.38Å; L776-L780 PolarHBondContact O-N 3.3Å; Y777-L780 PolarHBondContact O-N 3.46Å; Q778-L780 PolarHBondContact O-N 2.87Å; L780-N782 VanDerWaalsContact C-N 3.29Å; L780-N782 PolarHBondContact O-N 2.82Å; L780-K783 WeakPolarHBondContact O-CB 3.44Å; L780-K783 PolarHBondContact O-N 3.11Å; L780-Q813 HydrophobicContact CD1-CB 3.87Å; L780-Q813 HydrophobicContact CD2-CB 4.21Å; L780-F814 HydrophobicContact CB-CD1 4.04Å; L780-F814 HydrophobicContact CB-CE1 3.49Å; L780-F814 VanDerWaalsContact CB-CE1 3.49Å; L780-F814 HydrophobicContact CB-CZ 4Å; L780-F814 HydrophobicContact CD1-CD1 4.03Å; L780-F814 HydrophobicContact CD1-CE1 4.34Å; L780-V817 HydrophobicContact CD1-CG2 3.77Å; L780-F824 HydrophobicContact CD1-CE2 4.42Å; L780-F824 HydrophobicContact CD2-CE2 3.86Å; L780-F824 HydrophobicContact CD2-CZ 3.86Å; L780-F824 HydrophobicContact CG-CZ 4.41Å
781	K	86.3	Confident	78.6	Confident	137 Å²	137	86.7 Å²	86.7	60%	0.596	44%	0.437	S	S	*	.	H	α-helix	trans	-55.1	-43.6	177	-170.9	-178.2	179.4	-176.5	0	111.9	Y777 Q778 K783 I784 F814	Y777-K781 PolarHBondContact O-N 2.92Å; Q778-K781 PolarHBondContact O-N 3.24Å; K781-K783 PolarHBondContact O-N 3.36Å; K781-I784 WeakPolarHBondContact O-CB 3.21Å; K781-I784 WeakPolarHBondContact O-CG1 3.46Å; K781-I784 PolarHBondContact O-N 2.96Å; K781-F814 HydrophobicContact CB-CZ 4.45Å
782	N	84.8	Confident	76.8	Confident	135 Å²	135	82.9 Å²	82.9	72%	0.722	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-5.8	-179.2	-63.7	2.3	0	0	0	114	Q778 L780	Q778-N782 WeakPolarHBondContact O-CB 3.13Å; Q778-N782 PolarHBondContact O-N 3.25Å; Q778-N782 PolarHBondContact O-OD1 3Å; L780-N782 VanDerWaalsContact C-N 3.29Å; L780-N782 PolarHBondContact O-N 2.82Å
783	K	75.9	Confident	75.1	Confident	140 Å²	140	84.1 Å²	84.1	61%	0.609	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-3.6	167.8	-69.2	167.1	-173.4	166.3	0	112.5	A779 L780 K781 S785	A779-K783 VanDerWaalsContact O-CD 3.28Å; A779-K783 WeakPolarHBondContact O-CD 3.31Å; A779-K783 VanDerWaalsContact O-CE 3.26Å; A779-K783 WeakPolarHBondContact O-CE 3.47Å; A779-K783 WeakPolarHBondContact O-CG 3.41Å; L780-K783 WeakPolarHBondContact O-CB 3.44Å; L780-K783 PolarHBondContact O-N 3.11Å; K781-K783 PolarHBondContact O-N 3.36Å; K783-S785 PolarHBondContact O-N 3.27Å
784	I	70.8	Confident	73.3	Confident	46 Å²	46	92.5 Å²	92.5	24%	0.236	47%	0.47	C	S	.	.			trans	-95.4	83.7	176.2	-44.3	174.6	0	0	0	107.4	K781 I786 L789 L810 F814	K781-I784 WeakPolarHBondContact O-CB 3.21Å; K781-I784 WeakPolarHBondContact O-CG1 3.46Å; K781-I784 PolarHBondContact O-N 2.96Å; I784-I786 PolarHBondContact O-N 3.42Å; I784-I786 VanDerWaalsContact O-N 3.08Å; I784-L789 HydrophobicContact CG2-CD1 3.68Å; I784-L810 HydrophobicContact CD1-CD1 4.22Å; I784-L810 HydrophobicContact CD1-CD2 3.69Å; I784-L810 HydrophobicContact CD1-CG 4.27Å; I784-L810 HydrophobicContact CG1-CD1 4.16Å; I784-L810 HydrophobicContact CG1-CD2 3.75Å; I784-L810 HydrophobicContact CG1-CG 4.49Å; I784-F814 HydrophobicContact CD1-CE2 3.7Å; I784-F814 HydrophobicContact CD1-CZ 3.66Å
785	S	60.8	Low	71.6	Confident	49 Å²	49	89.4 Å²	89.4	34%	0.343	46%	0.464	S	S	.	.			trans	-59.6	109.6	165.4	2.8	0	0	0	0	107.8	K783 E787 D788 L789	K783-S785 PolarHBondContact O-N 3.27Å; S785-E787 PolarHBondContact O-N 2.89Å; S785-D788 WeakPolarHBondContact CB-OD2 3.35Å; S785-D788 PolarHBondContact O-N 3.18Å; S785-D788 PolarHBondContact OG-OD2 3.07Å; S785-L789 PolarHBondContact O-N 3.43Å
786	I	60.5	Low	70	Confident	119 Å²	119	87.9 Å²	87.9	61%	0.61	46%	0.463	S	S	*	.	H	α-helix	trans	-60.2	-30.5	177	-62.5	174.4	0	0	0	109.8	I784 L789 L790	I784-I786 PolarHBondContact O-N 3.42Å; I784-I786 VanDerWaalsContact O-N 3.08Å; I786-L789 VanDerWaalsContact O-CB 3.31Å; I786-L789 WeakPolarHBondContact O-CB 3.29Å; I786-L789 PolarHBondContact O-N 3.47Å; I786-L790 HydrophobicContact CG2-CD1 3.85Å; I786-L790 HydrophobicContact CG2-CG 4.23Å; I786-L790 WeakPolarHBondContact O-CG 3.45Å; I786-L790 PolarHBondContact O-N 2.81Å
787	E	56.9	Low	68.3	Low	138 Å²	138	92.8 Å²	92.8	65%	0.645	49%	0.493	S	S	*	.	H	α-helix	trans	-63.1	-40.6	171.5	-65.5	175.2	99.9	0	0	113.7	S785 L789 L790 Q791	S785-E787 PolarHBondContact O-N 2.89Å; E787-L789 VanDerWaalsContact C-N 3.25Å; E787-L789 PolarHBondContact O-N 3.45Å; E787-L790 PolarHBondContact O-N 3.32Å; E787-Q791 VanDerWaalsContact O-CB 3.23Å; E787-Q791 WeakPolarHBondContact O-CB 3.22Å; E787-Q791 WeakPolarHBondContact O-CG 3.32Å; E787-Q791 PolarHBondContact O-N 3.32Å
788	D	59.7	Low	66.7	Low	107 Å²	107	96.2 Å²	96.2	57%	0.572	51%	0.513	S	S	*	.	H	α-helix	trans	-68.3	-28.6	176.1	-78.2	-47.5	0	0	0	111.3	S785 S792	S785-D788 WeakPolarHBondContact CB-OD2 3.35Å; S785-D788 PolarHBondContact O-N 3.18Å; S785-D788 PolarHBondContact OG-OD2 3.07Å; D788-S792 VanDerWaalsContact O-CB 3.31Å; D788-S792 WeakPolarHBondContact O-CB 3.47Å; D788-S792 PolarHBondContact O-OG 2.88Å
789	L	60.8	Low	65.1	Low	66 Å²	66	96.2 Å²	96.2	35%	0.346	51%	0.512	S	S	.	.	H	α-helix	trans	-67.1	-58.8	170.1	-102.5	164.8	0	0	0	110.8	I784 S785 I786 E787 Q791 S792 S793 L807	I784-L789 HydrophobicContact CG2-CD1 3.68Å; S785-L789 PolarHBondContact O-N 3.43Å; I786-L789 VanDerWaalsContact O-CB 3.31Å; I786-L789 WeakPolarHBondContact O-CB 3.29Å; I786-L789 PolarHBondContact O-N 3.47Å; E787-L789 VanDerWaalsContact C-N 3.25Å; E787-L789 PolarHBondContact O-N 3.45Å; L789-Q791 PolarHBondContact O-N 2.92Å; L789-S792 PolarHBondContact O-N 2.87Å; L789-S792 PolarHBondContact O-OG 2.86Å; L789-S793 PolarHBondContact O-N 3.45Å; L789-L807 HydrophobicContact CD1-CD2 4.42Å; L789-L807 HydrophobicContact CD2-CD1 3.77Å; L789-L807 HydrophobicContact CD2-CD2 3.95Å; L789-L807 HydrophobicContact CD2-CG 4.47Å; L789-L807 HydrophobicContact CG-CD2 4.33Å
790	L	59.8	Low	63.6	Low	112 Å²	112	96.1 Å²	96.1	59%	0.586	51%	0.512	S	S	*	.	H	α-helix	trans	-65.8	-34.4	-175.1	-68.4	172.7	0	0	0	113.6	I786 E787 S792 S793	I786-L790 HydrophobicContact CG2-CD1 3.85Å; I786-L790 HydrophobicContact CG2-CG 4.23Å; I786-L790 WeakPolarHBondContact O-CG 3.45Å; I786-L790 PolarHBondContact O-N 2.81Å; E787-L790 PolarHBondContact O-N 3.32Å; L790-S792 PolarHBondContact O-N 2.95Å; L790-S793 PolarHBondContact O-OG 3.2Å
791	Q	59.1	Low	62.2	Low	136 Å²	136	102.3 Å²	102.3	64%	0.636	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-17.5	174.1	-68.3	176.1	32.2	0	0	112.3	E787 L789	E787-Q791 VanDerWaalsContact O-CB 3.23Å; E787-Q791 WeakPolarHBondContact O-CB 3.22Å; E787-Q791 WeakPolarHBondContact O-CG 3.32Å; E787-Q791 PolarHBondContact O-N 3.32Å; L789-Q791 PolarHBondContact O-N 2.92Å
792	S	54.2	Low	61.1	Low	22 Å²	22	101.4 Å²	101.4	15%	0.154	54%	0.542	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-22.1	180	77.2	0	0	0	0	114.7	D788 L789 L790 M794 G795	D788-S792 VanDerWaalsContact O-CB 3.31Å; D788-S792 WeakPolarHBondContact O-CB 3.47Å; D788-S792 PolarHBondContact O-OG 2.88Å; L789-S792 PolarHBondContact O-N 2.87Å; L789-S792 PolarHBondContact O-OG 2.86Å; L790-S792 PolarHBondContact O-N 2.95Å; S792-M794 PolarHBondContact O-N 3.47Å; S792-G795 PolarHBondContact O-N 3.25Å
793	S	53	Low	60	Low	93 Å²	93	97.1 Å²	97.1	65%	0.65	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-10.1	172.7	39.5	0	0	0	0	113.8	L789 L790	L789-S793 PolarHBondContact O-N 3.45Å; L790-S793 PolarHBondContact O-OG 3.2Å
794	M	57.1	Low	59.3	Low	177 Å²	177	94.3 Å²	94.3	87%	0.872	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	15.5	172.2	-53.8	-162.6	80.4	0	0	112.8	S792	S792-M794 PolarHBondContact O-N 3.47Å
795	G	57.8	Low	58.9	Low	27 Å²	27	94.8 Å²	94.8	28%	0.278	52%	0.523	S	S	.	.	S	Bend	trans	-99.4	153	175.4	0	0	0	0	0	112.6	S792	S792-G795 PolarHBondContact O-N 3.25Å
796	S	58.9	Low	59.3	Low	81 Å²	81	96 Å²	96	57%	0.566	53%	0.531	S	S	*	.			trans	-59.3	155.8	179.8	61.1	0	0	0	0	113.4	Q798 Q799	S796-Q798 PolarHBondContact O-N 3.32Å; S796-Q799 WeakPolarHBondContact O-CB 3.3Å; S796-Q799 PolarHBondContact O-N 3.04Å
797	T	57.8	Low	59.9	Low	113 Å²	113	93 Å²	93	69%	0.693	52%	0.516	S	S	*	.	H	α-helix	trans	-52.1	-31.6	-165	-30.9	0	0	0	0	115	A800 Q801	T797-A800 PolarHBondContact O-N 2.7Å; T797-Q801 PolarHBondContact O-N 3.33Å
798	Q	57.9	Low	60.6	Low	159 Å²	159	92.3 Å²	92.3	74%	0.743	52%	0.515	S	S	*	.	H	α-helix	trans	-70.3	-27.5	176.2	-62.7	-173.5	12.6	0	0	113.5	S796 N802	S796-Q798 PolarHBondContact O-N 3.32Å; Q798-N802 PolarHBondContact O-ND2 2.85Å
799	Q	58.4	Low	61.6	Low	117 Å²	117	92 Å²	92	55%	0.547	51%	0.513	S	S	.	.	H	α-helix	trans	-74.6	-40.8	174.1	-56.9	-167.7	36.6	0	0	110.6	S796 Q801 N802 T803	S796-Q799 WeakPolarHBondContact O-CB 3.3Å; S796-Q799 PolarHBondContact O-N 3.04Å; Q799-Q801 VanDerWaalsContact C-N 3.32Å; Q799-Q801 PolarHBondContact O-N 3.22Å; Q799-N802 PolarHBondContact O-N 2.94Å; Q799-T803 PolarHBondContact O-N 3.47Å; Q799-T803 PolarHBondContact O-OG1 3.23Å
800	A	56.7	Low	62.6	Low	36 Å²	36	90.7 Å²	90.7	30%	0.298	51%	0.506	S	S	.	.	H	α-helix	trans	-58.4	-37.5	176.6	0	0	0	0	0	113.5	T797 N802 T803 T804	T797-A800 PolarHBondContact O-N 2.7Å; A800-N802 VanDerWaalsContact C-N 3.33Å; A800-N802 PolarHBondContact O-N 3.37Å; A800-T803 PolarHBondContact O-N 2.93Å; A800-T803 PolarHBondContact O-OG1 2.8Å; A800-T804 WeakPolarHBondContact O-CB 3.39Å; A800-T804 WeakPolarHBondContact O-CG2 3.45Å; A800-T804 PolarHBondContact O-N 3.2Å; A800-T804 PolarHBondContact O-OG1 3.26Å
801	Q	60.1	Low	63.9	Low	139 Å²	139	88.7 Å²	88.7	65%	0.65	50%	0.498	S	S	*	.	H	α-helix	trans	-67.9	-30.3	174.1	-69.2	-169.2	-2.5	0	0	113.4	T797 Q799 T804 S805	T797-Q801 PolarHBondContact O-N 3.33Å; Q799-Q801 VanDerWaalsContact C-N 3.32Å; Q799-Q801 PolarHBondContact O-N 3.22Å; Q801-T804 WeakPolarHBondContact CA-OG1 3.38Å; Q801-T804 PolarHBondContact O-OG1 3.42Å; Q801-S805 WeakPolarHBondContact O-CB 3.44Å; Q801-S805 PolarHBondContact O-N 2.87Å; Q801-S805 PolarHBondContact O-OG 2.81Å
802	N	63.2	Low	65.3	Low	118 Å²	118	85 Å²	85	63%	0.631	48%	0.482	S	S	*	.	H	α-helix	trans	-78.5	-31.9	176.1	-76.7	-78.5	0	0	0	112.3	Q798 Q799 A800 S805 S806	Q798-N802 PolarHBondContact O-ND2 2.85Å; Q799-N802 PolarHBondContact O-N 2.94Å; A800-N802 VanDerWaalsContact C-N 3.33Å; A800-N802 PolarHBondContact O-N 3.37Å; N802-S805 PolarHBondContact O-OG 2.9Å; N802-S806 PolarHBondContact O-N 3.23Å
803	T	61.2	Low	66.9	Low	45 Å²	45	86 Å²	86	28%	0.276	48%	0.484	S	S	.	.	H	α-helix	trans	-77.4	-44.1	174.6	56.3	0	0	0	0	112.1	Q799 A800 S805 S806 L807	Q799-T803 PolarHBondContact O-N 3.47Å; Q799-T803 PolarHBondContact O-OG1 3.23Å; A800-T803 PolarHBondContact O-N 2.93Å; A800-T803 PolarHBondContact O-OG1 2.8Å; T803-S805 VanDerWaalsContact C-N 3.34Å; T803-S805 PolarHBondContact O-N 3.34Å; T803-S806 CarbonylContact O-C 3.54Å; T803-S806 WeakPolarHBondContact O-CA 3.39Å; T803-S806 VanDerWaalsContact O-CB 3.26Å; T803-S806 WeakPolarHBondContact O-CB 3.5Å; T803-S806 PolarHBondContact O-N 2.77Å; T803-L807 WeakPolarHBondContact O-CG 3.33Å; T803-L807 PolarHBondContact O-N 3.23Å
804	T	61.1	Low	68.7	Low	80 Å²	80	83.1 Å²	83.1	49%	0.491	46%	0.46	S	S	.	.	H	α-helix	trans	-58.5	-41.2	175.5	48.5	0	0	0	0	112.9	A800 Q801 S806 L807 M808	A800-T804 WeakPolarHBondContact O-CB 3.39Å; A800-T804 WeakPolarHBondContact O-CG2 3.45Å; A800-T804 PolarHBondContact O-N 3.2Å; A800-T804 PolarHBondContact O-OG1 3.26Å; Q801-T804 WeakPolarHBondContact CA-OG1 3.38Å; Q801-T804 PolarHBondContact O-OG1 3.42Å; T804-S806 VanDerWaalsContact C-N 3.33Å; T804-S806 PolarHBondContact O-N 3.03Å; T804-L807 PolarHBondContact O-N 3.05Å; T804-M808 PolarHBondContact O-N 2.91Å
805	S	62.1	Low	70.4	Confident	56 Å²	56	79.6 Å²	79.6	39%	0.392	44%	0.437	S	S	.	.	H	α-helix	trans	-67.5	-30.3	173.7	55.4	0	0	0	0	113.2	Q801 N802 T803 N809	Q801-S805 WeakPolarHBondContact O-CB 3.44Å; Q801-S805 PolarHBondContact O-N 2.87Å; Q801-S805 PolarHBondContact O-OG 2.81Å; N802-S805 PolarHBondContact O-OG 2.9Å; T803-S805 VanDerWaalsContact C-N 3.34Å; T803-S805 PolarHBondContact O-N 3.34Å; S805-N809 PolarHBondContact O-N 3.42Å; S805-N809 PolarHBondContact O-ND2 2.96Å
806	S	68.9	Low	72	Confident	74 Å²	74	80.9 Å²	80.9	52%	0.517	44%	0.435	S	S	.	.	H	α-helix	trans	-67.4	-43.1	169.2	-167.2	0	0	0	0	112.1	N802 T803 T804 M808 N809 L810	N802-S806 PolarHBondContact O-N 3.23Å; T803-S806 CarbonylContact O-C 3.54Å; T803-S806 WeakPolarHBondContact O-CA 3.39Å; T803-S806 VanDerWaalsContact O-CB 3.26Å; T803-S806 WeakPolarHBondContact O-CB 3.5Å; T803-S806 PolarHBondContact O-N 2.77Å; T804-S806 VanDerWaalsContact C-N 3.33Å; T804-S806 PolarHBondContact O-N 3.03Å; S806-M808 PolarHBondContact O-N 3.38Å; S806-N809 WeakPolarHBondContact O-CB 3.48Å; S806-N809 PolarHBondContact O-N 3.07Å; S806-L810 WeakPolarHBondContact O-CB 3.38Å; S806-L810 PolarHBondContact O-N 2.96Å
807	L	72.9	Confident	73.6	Confident	58 Å²	58	77 Å²	77	30%	0.304	41%	0.408	S	S	.	.	H	α-helix	trans	-63.4	-40.3	176.6	-66.4	169.8	0	0	0	111.9	L789 T803 T804 N809 L810 V811	L789-L807 HydrophobicContact CD1-CD2 4.42Å; L789-L807 HydrophobicContact CD2-CD1 3.77Å; L789-L807 HydrophobicContact CD2-CD2 3.95Å; L789-L807 HydrophobicContact CD2-CG 4.47Å; L789-L807 HydrophobicContact CG-CD2 4.33Å; T803-L807 WeakPolarHBondContact O-CG 3.33Å; T803-L807 PolarHBondContact O-N 3.23Å; T804-L807 PolarHBondContact O-N 3.05Å; L807-N809 PolarHBondContact O-N 3.3Å; L807-L810 HydrophobicContact CD2-CD2 4.06Å; L807-L810 WeakPolarHBondContact O-CB 3.2Å; L807-L810 PolarHBondContact O-N 3.45Å; L807-V811 WeakPolarHBondContact O-CG2 3.44Å; L807-V811 PolarHBondContact O-N 2.87Å
808	M	71.8	Confident	75.3	Confident	123 Å²	123	73 Å²	73	61%	0.606	38%	0.384	S	S	*	.	H	α-helix	trans	-64.2	-39.7	174	-174.5	53.8	165.4	0	0	111.9	T804 S806 L810 M812	T804-M808 PolarHBondContact O-N 2.91Å; S806-M808 PolarHBondContact O-N 3.38Å; M808-L810 VanDerWaalsContact C-N 3.31Å; M808-L810 PolarHBondContact O-N 3.22Å; M808-M812 WeakPolarHBondContact O-CB 3.28Å; M808-M812 WeakPolarHBondContact O-CG 3.39Å; M808-M812 PolarHBondContact O-N 3.31Å
809	N	80.2	Confident	76.9	Confident	101 Å²	101	67.5 Å²	67.5	54%	0.54	36%	0.359	S	S	.	.	H	α-helix	trans	-62.7	-36.3	172.5	-85.8	-71.9	0	0	0	112.7	S805 S806 L807 M812 Q813	S805-N809 PolarHBondContact O-N 3.42Å; S805-N809 PolarHBondContact O-ND2 2.96Å; S806-N809 WeakPolarHBondContact O-CB 3.48Å; S806-N809 PolarHBondContact O-N 3.07Å; L807-N809 PolarHBondContact O-N 3.3Å; N809-M812 PolarHBondContact O-N 3.39Å; N809-Q813 WeakPolarHBondContact O-CG 3.48Å; N809-Q813 PolarHBondContact O-N 3.35Å; N809-Q813 VanDerWaalsContact O-N 3.15Å; N809-Q813 PolarHBondContact O-NE2 3.03Å
810	L	82.8	Confident	78.6	Confident	37 Å²	37	61.9 Å²	61.9	19%	0.194	33%	0.333	C	S	.	.	H	α-helix	trans	-70.8	-46.9	178.2	171	69.2	0	0	0	112.2	I784 S806 L807 M808 M812 Q813 F814	I784-L810 HydrophobicContact CD1-CD1 4.22Å; I784-L810 HydrophobicContact CD1-CD2 3.69Å; I784-L810 HydrophobicContact CD1-CG 4.27Å; I784-L810 HydrophobicContact CG1-CD1 4.16Å; I784-L810 HydrophobicContact CG1-CD2 3.75Å; I784-L810 HydrophobicContact CG1-CG 4.49Å; S806-L810 WeakPolarHBondContact O-CB 3.38Å; S806-L810 PolarHBondContact O-N 2.96Å; L807-L810 HydrophobicContact CD2-CD2 4.06Å; L807-L810 WeakPolarHBondContact O-CB 3.2Å; L807-L810 PolarHBondContact O-N 3.45Å; M808-L810 VanDerWaalsContact C-N 3.31Å; M808-L810 PolarHBondContact O-N 3.22Å; L810-M812 PolarHBondContact O-N 2.82Å; L810-Q813 WeakPolarHBondContact O-CA 3.39Å; L810-Q813 PolarHBondContact O-N 3.35Å; L810-F814 HydrophobicContact CD1-CE2 4.11Å; L810-F814 HydrophobicContact CG-CD2 4.45Å; L810-F814 HydrophobicContact CG-CE2 4.07Å; L810-F814 PolarHBondContact O-N 3.11Å; L810-F814 VanDerWaalsContact O-N 3.07Å
811	V	86.7	Confident	80.3	Confident	71 Å²	71	60.2 Å²	60.2	43%	0.43	32%	0.319	S	S	.	.	H	α-helix	trans	-54.8	-42.4	170.2	170.5	0	0	0	0	110.3	L807 Q813 F814 R815	L807-V811 WeakPolarHBondContact O-CG2 3.44Å; L807-V811 PolarHBondContact O-N 2.87Å; V811-Q813 VanDerWaalsContact C-N 3.29Å; V811-Q813 PolarHBondContact O-N 2.84Å; V811-F814 PolarHBondContact O-N 3.49Å; V811-R815 HydrophobicContact CG1-CG 4.46Å; V811-R815 WeakPolarHBondContact O-CG 3.04Å; V811-R815 PolarHBondContact O-N 2.97Å
812	M	87.9	Confident	81.7	Confident	58 Å²	58	55.2 Å²	55.2	29%	0.286	30%	0.296	S	S	.	.	H	α-helix	trans	-66.7	-21.8	174.8	-74.1	-63	-69	0	0	114.4	M808 N809 L810 R815 K816 M1129	M808-M812 WeakPolarHBondContact O-CB 3.28Å; M808-M812 WeakPolarHBondContact O-CG 3.39Å; M808-M812 PolarHBondContact O-N 3.31Å; N809-M812 PolarHBondContact O-N 3.39Å; L810-M812 PolarHBondContact O-N 2.82Å; M812-R815 PolarHBondContact SD-NH1 2.93Å; M812-K816 VanDerWaalsContact O-CG 3.3Å; M812-K816 WeakPolarHBondContact O-CG 3.43Å; M812-K816 PolarHBondContact O-N 2.98Å; M812-M1129 HydrophobicContact CE-CE 4.06Å
813	Q	88.6	Confident	83	Confident	43 Å²	43	50.4 Å²	50.4	20%	0.201	27%	0.27	C	S	.	.	H	α-helix	trans	-77.7	-40.2	168.8	-49.5	-42.2	-41.3	0	0	112	L780 N809 L810 V811 R815 K816 V817 F824	L780-Q813 HydrophobicContact CD1-CB 3.87Å; L780-Q813 HydrophobicContact CD2-CB 4.21Å; N809-Q813 WeakPolarHBondContact O-CG 3.48Å; N809-Q813 PolarHBondContact O-N 3.35Å; N809-Q813 VanDerWaalsContact O-N 3.15Å; N809-Q813 PolarHBondContact O-NE2 3.03Å; L810-Q813 WeakPolarHBondContact O-CA 3.39Å; L810-Q813 PolarHBondContact O-N 3.35Å; V811-Q813 VanDerWaalsContact C-N 3.29Å; V811-Q813 PolarHBondContact O-N 2.84Å; Q813-R815 VanDerWaalsContact C-N 3.33Å; Q813-R815 PolarHBondContact O-N 2.96Å; Q813-K816 WeakPolarHBondContact O-CB 3.4Å; Q813-K816 PolarHBondContact O-N 2.92Å; Q813-K816 VanDerWaalsContact O-N 3.14Å; Q813-V817 PolarHBondContact O-N 2.84Å; Q813-F824 HydrophobicContact CB-CD2 4.19Å; Q813-F824 HydrophobicContact CB-CE2 4.2Å; Q813-F824 HydrophobicContact CG-CE2 4.28Å
814	F	90.9	Very high	84.2	Confident	32 Å²	32	51.7 Å²	51.7	14%	0.14	27%	0.272	C	S	.	.	H	α-helix	trans	-58.2	-46.2	173.2	-73.3	-57.7	0	0	0	111.3	Y777 L780 K781 I784 L810 V811 K816 V817 C818	Y777-F814 HydrophobicContact CD1-CD1 4.45Å; Y777-F814 HydrophobicContact CD1-CE1 4.2Å; Y777-F814 AromaticContact CD2-CD1 3.55Å; Y777-F814 HydrophobicContact CD2-CD1 3.55Å; Y777-F814 HydrophobicContact CD2-CE1 4.11Å; Y777-F814 HydrophobicContact CE1-CD1 4.28Å; Y777-F814 HydrophobicContact CE1-CE1 4.07Å; Y777-F814 HydrophobicContact CE2-CB 4.11Å; Y777-F814 AromaticContact CE2-CD1 3.34Å; Y777-F814 HydrophobicContact CE2-CD1 3.34Å; Y777-F814 AromaticContact CE2-CE1 3.97Å; Y777-F814 HydrophobicContact CE2-CE1 3.97Å; Y777-F814 HydrophobicContact CE2-CG 4.01Å; Y777-F814 HydrophobicContact CG-CD1 4.11Å; Y777-F814 HydrophobicContact CG-CE1 4.22Å; Y777-F814 AromaticContact CZ-CD1 3.74Å; Y777-F814 AromaticContact CZ-CE1 3.94Å; L780-F814 HydrophobicContact CB-CD1 4.04Å; L780-F814 HydrophobicContact CB-CE1 3.49Å; L780-F814 VanDerWaalsContact CB-CE1 3.49Å; L780-F814 HydrophobicContact CB-CZ 4Å; L780-F814 HydrophobicContact CD1-CD1 4.03Å; L780-F814 HydrophobicContact CD1-CE1 4.34Å; K781-F814 HydrophobicContact CB-CZ 4.45Å; I784-F814 HydrophobicContact CD1-CE2 3.7Å; I784-F814 HydrophobicContact CD1-CZ 3.66Å; L810-F814 HydrophobicContact CD1-CE2 4.11Å; L810-F814 HydrophobicContact CG-CD2 4.45Å; L810-F814 HydrophobicContact CG-CE2 4.07Å; L810-F814 PolarHBondContact O-N 3.11Å; L810-F814 VanDerWaalsContact O-N 3.07Å; V811-F814 PolarHBondContact O-N 3.49Å; F814-K816 VanDerWaalsContact C-N 3.25Å; F814-K816 PolarHBondContact O-N 3.15Å; F814-V817 PolarHBondContact O-N 3.11Å; F814-C818 WeakPolarHBondContact O-CB 3.45Å; F814-C818 PolarHBondContact O-N 3.08Å; F814-C818 PolarHBondContact O-SG 3.43Å; F814-C818 VanDerWaalsContact O-SG 3.36Å
815	R	92.3	Very high	85.3	Confident	104 Å²	104	52.2 Å²	52.2	39%	0.392	27%	0.269	S	S	.	.	H	α-helix	trans	-59.4	-33.1	176.2	-66.4	-179.8	82.5	-138.9	0.3	112.9	V811 M812 Q813 N819 M1129	V811-R815 HydrophobicContact CG1-CG 4.46Å; V811-R815 WeakPolarHBondContact O-CG 3.04Å; V811-R815 PolarHBondContact O-N 2.97Å; M812-R815 PolarHBondContact SD-NH1 2.93Å; Q813-R815 VanDerWaalsContact C-N 3.33Å; Q813-R815 PolarHBondContact O-N 2.96Å; R815-N819 VanDerWaalsContact O-CG 3.23Å; R815-N819 PolarHBondContact O-N 3.35Å; R815-N819 PolarHBondContact O-ND2 2.68Å; R815-M1129 HydrophobicContact CB-CE 4.04Å
816	K	92.1	Very high	86.3	Confident	54 Å²	54	57.1 Å²	57.1	24%	0.235	28%	0.279	C	S	.	.	H	α-helix	trans	-69	-53.3	173	-74	168.7	-166.5	173	0	111.9	M812 Q813 F814 C818 N819 H820 L823 M1129	M812-K816 VanDerWaalsContact O-CG 3.3Å; M812-K816 WeakPolarHBondContact O-CG 3.43Å; M812-K816 PolarHBondContact O-N 2.98Å; Q813-K816 WeakPolarHBondContact O-CB 3.4Å; Q813-K816 PolarHBondContact O-N 2.92Å; Q813-K816 VanDerWaalsContact O-N 3.14Å; F814-K816 VanDerWaalsContact C-N 3.25Å; F814-K816 PolarHBondContact O-N 3.15Å; K816-C818 VanDerWaalsContact C-N 3.29Å; K816-C818 PolarHBondContact O-N 3.34Å; K816-N819 WeakPolarHBondContact O-CA 3.46Å; K816-N819 WeakPolarHBondContact O-CB 3.49Å; K816-N819 PolarHBondContact O-N 2.88Å; K816-H820 PolarHBondContact O-N 3.08Å; K816-H820 VanDerWaalsContact O-O 3.06Å; K816-L823 HydrophobicContact CB-CB 3.84Å; K816-L823 HydrophobicContact CD-CB 4.48Å; K816-L823 HydrophobicContact CG-CB 4.06Å; K816-M1129 HydrophobicContact CG-CE 3.85Å; K816-M1129 HydrophobicContact CG-SD 3.68Å
817	V	92.9	Very high	86.9	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-59.6	-40.9	-178	174.3	0	0	0	0	111.1	Q773 L776 L780 Q813 F814 N819 F824	Q773-V817 HydrophobicContact CB-CG1 4.36Å; Q773-V817 PolarHBondContact NE2-O 3.29Å; Q773-V817 WeakPolarHBondContact O-CG1 3.21Å; L776-V817 HydrophobicContact CB-CG1 3.87Å; L776-V817 HydrophobicContact CB-CG2 4.29Å; L780-V817 HydrophobicContact CD1-CG2 3.77Å; Q813-V817 PolarHBondContact O-N 2.84Å; F814-V817 PolarHBondContact O-N 3.11Å; V817-N819 PolarHBondContact O-N 3.37Å; V817-F824 HydrophobicContact CG2-CB 3.82Å; V817-F824 HydrophobicContact CG2-CD1 4.37Å; V817-F824 HydrophobicContact CG2-CD2 4.41Å; V817-F824 HydrophobicContact CG2-CG 3.95Å
818	C	92.4	Very high	87.3	Confident	29 Å²	29	63 Å²	63	20%	0.196	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-6.6	174.9	-64.7	0	0	0	0	114.8	L769 Y777 F814 K816 K1105	L769-C818 HydrophobicContact CD2-CB 4.3Å; Y777-C818 VanDerWaalsContact CD2-SG 3.6Å; Y777-C818 VanDerWaalsContact CE2-SG 3.54Å; F814-C818 WeakPolarHBondContact O-CB 3.45Å; F814-C818 PolarHBondContact O-N 3.08Å; F814-C818 PolarHBondContact O-SG 3.43Å; F814-C818 VanDerWaalsContact O-SG 3.36Å; K816-C818 VanDerWaalsContact C-N 3.29Å; K816-C818 PolarHBondContact O-N 3.34Å; C818-K1105 VanDerWaalsContact O-CD 3.31Å; C818-K1105 WeakPolarHBondContact O-CD 3.36Å; C818-K1105 WeakPolarHBondContact O-CE 3.26Å; C818-K1105 PolarHBondContact O-NZ 2.73Å; C818-K1105 VanDerWaalsContact O-NZ 3.09Å
819	N	92.6	Very high	88.1	Confident	42 Å²	42	61.9 Å²	61.9	23%	0.225	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-54.6	171	-73.9	-8.1	0	0	0	110.7	R815 K816 V817 L823 S1103 K1105 M1132	R815-N819 VanDerWaalsContact O-CG 3.23Å; R815-N819 PolarHBondContact O-N 3.35Å; R815-N819 PolarHBondContact O-ND2 2.68Å; K816-N819 WeakPolarHBondContact O-CA 3.46Å; K816-N819 WeakPolarHBondContact O-CB 3.49Å; K816-N819 PolarHBondContact O-N 2.88Å; V817-N819 PolarHBondContact O-N 3.37Å; N819-L823 HydrophobicContact CB-CD1 4Å; N819-S1103 PolarHBondContact O-OG 3.34Å; N819-K1105 PolarHBondContact OD1-NZ 2.68Å; N819-M1132 HydrophobicContact CB-SD 4.35Å
820	H	93.5	Very high	88.5	Confident	0 Å²	0	62 Å²	62	0%	0	29%	0.29	C	S	.	.			trans	-158.4	134.2	175.9	-155.8	-88.3	0	0	0	111.4	K816 E822 L823 L1099 S1103 M1132 L1135	K816-H820 PolarHBondContact O-N 3.08Å; K816-H820 VanDerWaalsContact O-O 3.06Å; H820-E822 VanDerWaalsContact C-N 3.29Å; H820-E822 WeakPolarHBondContact ND1-CB 3.34Å; H820-E822 PolarHBondContact ND1-N 3.29Å; H820-E822 PolarHBondContact O-N 3.46Å; H820-L823 HydrophobicContact CB-CD1 4.06Å; H820-L823 HydrophobicContact CB-CG 4.09Å; H820-L823 WeakPolarHBondContact O-CB 3.44Å; H820-L823 PolarHBondContact O-N 3.48Å; H820-L1099 WeakPolarHBondContact CE1-CD1 3.29Å; H820-L1099 PolarHBondContact NE2-O 3.46Å; H820-S1103 WeakPolarHBondContact CD2-CB 3.35Å; H820-M1132 HydrophobicContact CB-CE 4.27Å; H820-M1132 HydrophobicContact CB-SD 3.75Å; H820-L1135 HydrophobicContact CB-CD1 4.37Å
821	P	92.8	Very high	89	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-60.1	-36.4	-179.5	23.5	-33.3	0	0	0	113	R772 Q773 L776 L823 F824 E825 D1102	R772-P821 HydrophobicContact CG-CB 4.16Å; R772-P821 HydrophobicContact CG-CG 4.5Å; Q773-P821 HydrophobicContact CG-CG 4.41Å; L776-P821 HydrophobicContact CD1-CB 3.75Å; P821-L823 PolarHBondContact O-N 3.33Å; P821-L823 VanDerWaalsContact O-N 3.15Å; P821-F824 WeakPolarHBondContact O-CA 3.49Å; P821-F824 WeakPolarHBondContact O-CB 3.31Å; P821-F824 PolarHBondContact O-N 3.43Å; P821-E825 PolarHBondContact O-N 3.14Å; P821-D1102 HydrophobicContact CG-CB 3.73Å; P821-D1102 WeakPolarHBondContact CG-OD2 3.43Å
822	E	89.8	Confident	89.3	Confident	34 Å²	34	61 Å²	61	16%	0.159	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-62	-19.6	177.8	-68.9	-135.8	122.4	0	0	115.8	H820 F824 E825 R826 Q827 L1099 L1135	H820-E822 VanDerWaalsContact C-N 3.29Å; H820-E822 WeakPolarHBondContact ND1-CB 3.34Å; H820-E822 PolarHBondContact ND1-N 3.29Å; H820-E822 PolarHBondContact O-N 3.46Å; E822-F824 PolarHBondContact O-N 3.23Å; E822-E825 WeakPolarHBondContact CA-O 3.49Å; E822-R826 HydrophobicContact CB-CG 4.28Å; E822-R826 VanDerWaalsContact OE1-CA 3.31Å; E822-R826 WeakPolarHBondContact OE1-CA 3.33Å; E822-Q827 PolarHBondContact OE1-N 2.83Å; E822-L1099 HydrophobicContact CG-CD1 3.98Å; E822-L1099 WeakPolarHBondContact OE2-CD1 3.44Å; E822-L1135 HydrophobicContact CB-CD1 3.94Å; E822-L1135 HydrophobicContact CB-CD2 4.42Å; E822-L1135 WeakPolarHBondContact OE2-CD2 3.4Å
823	L	89.8	Confident	89.7	Confident	17 Å²	17	64.8 Å²	64.8	9%	0.089	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-67.8	-17.2	172.3	-66.1	172.2	0	0	0	112.2	K816 N819 H820 P821 M1129 R1131 M1132 L1135	K816-L823 HydrophobicContact CB-CB 3.84Å; K816-L823 HydrophobicContact CD-CB 4.48Å; K816-L823 HydrophobicContact CG-CB 4.06Å; N819-L823 HydrophobicContact CB-CD1 4Å; H820-L823 HydrophobicContact CB-CD1 4.06Å; H820-L823 HydrophobicContact CB-CG 4.09Å; H820-L823 WeakPolarHBondContact O-CB 3.44Å; H820-L823 PolarHBondContact O-N 3.48Å; P821-L823 PolarHBondContact O-N 3.33Å; P821-L823 VanDerWaalsContact O-N 3.15Å; L823-M1129 HydrophobicContact CD1-SD 4.07Å; L823-R1131 HydrophobicContact CD2-CB 3.6Å; L823-M1132 HydrophobicContact CD1-CB 4.24Å; L823-M1132 HydrophobicContact CD1-SD 3.84Å; L823-M1132 HydrophobicContact CD2-CB 4.41Å; L823-L1135 HydrophobicContact CD2-CD1 3.9Å; L823-L1135 HydrophobicContact CG-CD1 4.09Å
824	F	86.8	Confident	90	Very high	72 Å²	72	68 Å²	68	32%	0.316	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-50.5	177.5	-177.4	-97.2	0	0	0	111.8	L776 L780 Q813 V817 P821 E822	L776-F824 HydrophobicContact CD2-CD1 4.19Å; L776-F824 HydrophobicContact CD2-CE1 4.23Å; L780-F824 HydrophobicContact CD1-CE2 4.42Å; L780-F824 HydrophobicContact CD2-CE2 3.86Å; L780-F824 HydrophobicContact CD2-CZ 3.86Å; L780-F824 HydrophobicContact CG-CZ 4.41Å; Q813-F824 HydrophobicContact CB-CD2 4.19Å; Q813-F824 HydrophobicContact CB-CE2 4.2Å; Q813-F824 HydrophobicContact CG-CE2 4.28Å; V817-F824 HydrophobicContact CG2-CB 3.82Å; V817-F824 HydrophobicContact CG2-CD1 4.37Å; V817-F824 HydrophobicContact CG2-CD2 4.41Å; V817-F824 HydrophobicContact CG2-CG 3.95Å; P821-F824 WeakPolarHBondContact O-CA 3.49Å; P821-F824 WeakPolarHBondContact O-CB 3.31Å; P821-F824 PolarHBondContact O-N 3.43Å; E822-F824 PolarHBondContact O-N 3.23Å
825	E	84.6	Confident	90.2	Very high	92 Å²	92	69.4 Å²	69.4	43%	0.43	33%	0.327	S	S	.	.	S	Bend	trans	-142.4	111.6	-178.8	-176.2	-171.3	-103.7	0	0	109.6	R772 P821 E822	R772-E825 IonicContact CZ-OE2 2.7Å; R772-E825 IonicContact NH1-OE2 3.69Å; R772-E825 PolarHBondContact NH1-OE2 2.93Å; R772-E825 PolarHBondContact NH2-O 3.49Å; R772-E825 IonicContact NH2-OE2 2.56Å; R772-E825 PolarHBondContact NH2-OE2 2.95Å; P821-E825 PolarHBondContact O-N 3.14Å; E822-E825 WeakPolarHBondContact CA-O 3.49Å
826	R	83.1	Confident	90.3	Very high	159 Å²	159	69 Å²	69	60%	0.6	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-69.5	154.8	177.1	-75	-177.3	168.5	-177.1	-7.3	112.1	E822 E828	E822-R826 HydrophobicContact CB-CG 4.28Å; E822-R826 VanDerWaalsContact OE1-CA 3.31Å; E822-R826 WeakPolarHBondContact OE1-CA 3.33Å; R826-E828 PolarHBondContact O-N 3.5Å
827	Q	80	Confident	90.4	Very high	80 Å²	80	71.9 Å²	71.9	37%	0.374	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-78.1	117.2	173.7	-153.8	174	3.6	0	0	109.4	E822 P1094 S1098	E822-Q827 PolarHBondContact OE1-N 2.83Å; Q827-P1094 HydrophobicContact CB-CB 4.35Å; Q827-P1094 HydrophobicContact CB-CG 4.01Å; Q827-P1094 HydrophobicContact CG-CB 4.03Å; Q827-P1094 HydrophobicContact CG-CG 3.62Å; Q827-S1098 PolarHBondContact OE1-OG 2.93Å
828	E	81.6	Confident	90.4	Very high	174 Å²	174	78.8 Å²	78.8	81%	0.813	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-79.9	147.5	-179.4	-64.8	-170.7	154.8	0	0	111.9	R826 W830	R826-E828 PolarHBondContact O-N 3.5Å; E828-W830 PolarHBondContact O-N 3.32Å
829	T	88.4	Confident	90.3	Very high	101 Å²	101	80.1 Å²	80.1	62%	0.62	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-64.5	126.7	170.2	51.6	0	0	0	0	110.4	I1093	T829-I1093 HydrophobicContact CG2-CG1 4.22Å; T829-I1093 HydrophobicContact CG2-CG2 4.38Å
830	W	89.8	Confident	90.5	Very high	104 Å²	104	84.8 Å²	84.8	39%	0.394	41%	0.411	S	S	.	.	B	Isolated β-bridge	trans	-99.7	141.1	-175.4	-176.1	82.7	0	0	0	112.5	E828 P832 F1090 R1092	E828-W830 PolarHBondContact O-N 3.32Å; W830-P832 HydrophobicContact CH2-CB 4.34Å; W830-P832 HydrophobicContact CH2-CG 3.84Å; W830-P832 HydrophobicContact CZ3-CG 4.03Å; W830-F1090 VanDerWaalsContact CZ3-O 3.31Å; W830-F1090 WeakPolarHBondContact CZ3-O 3.21Å; W830-R1092 HydrophobicContact CE3-CG 4.45Å; W830-R1092 PolarHBondContact N-O 3.16Å; W830-R1092 PolarHBondContact O-N 3.47Å
831	S	92.7	Very high	90.5	Very high	69 Å²	69	90.3 Å²	90.3	48%	0.483	44%	0.437	S	S	.	.			trans	-141.7	153.2	169.4	58.4	0	0	0	0	110.9
832	P	93.9	Very high	90.6	Very high	17 Å²	17	91.8 Å²	91.8	11%	0.11	44%	0.444	C	S	.	.			trans	-60.9	149.9	169.7	-20	30.4	0	0	0	111.7	W830 H834 P1018 T1021 F1090	W830-P832 HydrophobicContact CH2-CB 4.34Å; W830-P832 HydrophobicContact CH2-CG 3.84Å; W830-P832 HydrophobicContact CZ3-CG 4.03Å; P832-H834 PolarHBondContact O-N 2.78Å; P832-P1018 WeakPolarHBondContact CB-O 3.21Å; P832-T1021 HydrophobicContact CB-CG2 4.13Å; P832-T1021 HydrophobicContact CG-CG2 4.47Å; P832-F1090 HydrophobicContact CG-CB 3.56Å; P832-F1090 HydrophobicContact CG-CG 4.45Å
833	F	94.7	Very high	90.8	Very high	137 Å²	137	93.9 Å²	93.9	60%	0.601	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	114	174.6	-177.9	-115	0	0	0	110.6	I835 R1019 V1020 T1021	F833-I835 HydrophobicContact CD1-CD1 3.89Å; F833-I835 HydrophobicContact CD1-CG1 3.65Å; F833-I835 HydrophobicContact CE1-CD1 3.95Å; F833-I835 HydrophobicContact CE1-CG1 3.63Å; F833-R1019 PolarHBondContact N-O 3.44Å; F833-V1020 HydrophobicContact CB-CG1 4.37Å; F833-V1020 HydrophobicContact CD1-CG1 4.35Å; F833-V1020 WeakPolarHBondContact O-CA 3.24Å; F833-T1021 PolarHBondContact O-N 3.13Å
834	H	95.5	Very high	91	Very high	110 Å²	110	98.2 Å²	98.2	51%	0.509	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	132.9	-179.5	-169.3	64.5	0	0	0	111.6	P832 T1021 V1023	P832-H834 PolarHBondContact O-N 2.78Å; H834-T1021 CarbonylContact C-O 3.45Å; H834-T1021 WeakPolarHBondContact CA-O 3.4Å; H834-T1021 PolarHBondContact ND1-OG1 2.74Å; H834-V1023 VanDerWaalsContact NE2-CG2 3.32Å; H834-V1023 WeakPolarHBondContact NE2-CG2 3.38Å
835	I	95.3	Very high	91.3	Very high	63 Å²	63	101.4 Å²	101.4	32%	0.323	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	109.8	-176.1	-54.8	-180	0	0	0	110	F833 V1020 T1021 A1022 V1023	F833-I835 HydrophobicContact CD1-CD1 3.89Å; F833-I835 HydrophobicContact CD1-CG1 3.65Å; F833-I835 HydrophobicContact CE1-CD1 3.95Å; F833-I835 HydrophobicContact CE1-CG1 3.63Å; I835-V1020 HydrophobicContact CD1-CB 4.21Å; I835-V1020 HydrophobicContact CD1-CG1 4.05Å; I835-T1021 PolarHBondContact N-O 3.05Å; I835-A1022 WeakPolarHBondContact O-CA 3.19Å; I835-V1023 PolarHBondContact O-N 2.78Å
836	S	94.4	Very high	91.7	Very high	95 Å²	95	101.3 Å²	101.3	66%	0.664	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-85.5	118.6	163.6	55.7	0	0	0	0	109.8
837	L	93.4	Very high	92.2	Very high	115 Å²	115	94.7 Å²	94.7	60%	0.602	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-84.3	158.4	169.1	-147.5	70.5	0	0	0	109.9	L1025	L837-L1025 HydrophobicContact CD2-CD1 4.03Å; L837-L1025 HydrophobicContact CD2-CD2 4.12Å; L837-L1025 HydrophobicContact CD2-CG 4.18Å
838	K	92.5	Very high	92.6	Very high	145 Å²	145	95.7 Å²	95.7	63%	0.63	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-63.1	137.9	168.8	-171.7	-169.8	169.7	-173.6	0	108.4	E841	K838-E841 IonicContact NZ-OE2 2.81Å; K838-E841 PolarHBondContact NZ-OE2 3.45Å
839	P	92.3	Very high	93	Very high	56 Å²	56	91.8 Å²	91.8	36%	0.364	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-56.6	153.5	170.1	24.8	-35.8	0	0	0	111.9	E841 D1026	P839-E841 PolarHBondContact O-N 3.47Å; P839-D1026 CarbonylContact C-O 3.57Å; P839-D1026 VanDerWaalsContact CA-O 3.29Å; P839-D1026 WeakPolarHBondContact CA-O 3.48Å; P839-D1026 HydrophobicContact CB-CB 4.2Å; P839-D1026 VanDerWaalsContact CB-O 3.27Å; P839-D1026 WeakPolarHBondContact CB-O 3.05Å
840	Y	94.9	Very high	93	Very high	141 Å²	141	89.3 Å²	89.3	55%	0.553	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	115.3	175.9	175.6	-110.1	0	0	0	110.1	I842 D1026 S1027 Y1028	Y840-I842 HydrophobicContact CD1-CB 4.23Å; Y840-I842 HydrophobicContact CD1-CG2 4.37Å; Y840-I842 HydrophobicContact CE1-CB 3.87Å; Y840-I842 HydrophobicContact CE1-CG2 4.46Å; Y840-D1026 PolarHBondContact N-O 3.43Å; Y840-S1027 CarbonylContact O-C 3.51Å; Y840-S1027 VanDerWaalsContact O-CA 3.31Å; Y840-S1027 WeakPolarHBondContact O-CA 3.33Å; Y840-Y1028 PolarHBondContact O-N 3.24Å
841	E	94.3	Very high	93	Very high	115 Å²	115	87.8 Å²	87.8	54%	0.537	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	117.1	-176.6	-166.6	168.6	166.2	0	0	110.1	K838 P839 Y1028	K838-E841 IonicContact NZ-OE2 2.81Å; K838-E841 PolarHBondContact NZ-OE2 3.45Å; P839-E841 PolarHBondContact O-N 3.47Å; E841-Y1028 HydrophobicContact CG-CD1 4.44Å
842	I	95.4	Very high	93	Very high	31 Å²	31	90.7 Å²	90.7	16%	0.159	45%	0.454	C	S	.	.			trans	-123.5	119.7	-174.5	168.9	170.7	0	0	0	109.8	Y840 I846 Y1028 C1029	Y840-I842 HydrophobicContact CD1-CB 4.23Å; Y840-I842 HydrophobicContact CD1-CG2 4.37Å; Y840-I842 HydrophobicContact CE1-CB 3.87Å; Y840-I842 HydrophobicContact CE1-CG2 4.46Å; I842-I846 HydrophobicContact CD1-CB 4.46Å; I842-I846 HydrophobicContact CD1-CG2 4.04Å; I842-I846 HydrophobicContact CG1-CB 4.12Å; I842-I846 HydrophobicContact CG1-CG2 4.13Å; I842-Y1028 VanDerWaalsContact CG2-O 3.23Å; I842-Y1028 WeakPolarHBondContact CG2-O 3.47Å; I842-Y1028 PolarHBondContact N-O 3.4Å; I842-C1029 WeakPolarHBondContact CG2-SG 3.41Å
843	S	94.4	Very high	92.7	Very high	78 Å²	78	98.9 Å²	98.9	55%	0.545	48%	0.482	S	S	.	.			trans	-58.5	138.8	179.6	-53.9	0	0	0	0	111.6	F845 I846 Y847	S843-F845 PolarHBondContact O-N 3.22Å; S843-I846 PolarHBondContact O-N 3.25Å; S843-Y847 PolarHBondContact O-N 3.35Å
844	K	93.8	Very high	92.3	Very high	109 Å²	109	95.7 Å²	95.7	47%	0.474	47%	0.474	S	S	.	.	H	α-helix	trans	-49.4	-37.8	179.1	-179.6	176.9	-178.3	175.3	0	113.1	Y847 R848 D1031	K844-Y847 PolarHBondContact O-N 3.03Å; K844-R848 HydrophobicContact CG-CG 4.46Å; K844-R848 WeakPolarHBondContact O-CG 3.4Å; K844-R848 PolarHBondContact O-N 3.47Å; K844-D1031 HydrophobicContact CD-CB 4.39Å; K844-D1031 VanDerWaalsContact CE-OD2 3.25Å; K844-D1031 WeakPolarHBondContact CE-OD2 3.26Å; K844-D1031 HydrophobicContact CG-CB 4.27Å
845	F	93.3	Very high	91.9	Very high	139 Å²	139	96.4 Å²	96.4	61%	0.61	48%	0.476	S	S	*	.	H	α-helix	trans	-62.4	-47.6	174.8	-177.6	-96.2	0	0	0	112.8	S843 Y847 R848 H849	S843-F845 PolarHBondContact O-N 3.22Å; F845-Y847 VanDerWaalsContact C-N 3.3Å; F845-Y847 PolarHBondContact O-N 3.15Å; F845-R848 PolarHBondContact O-N 3Å; F845-H849 AromaticContact CD2-CD2 3.42Å; F845-H849 VanDerWaalsContact CD2-CD2 3.42Å; F845-H849 WeakPolarHBondContact CD2-CD2 3.23Å; F845-H849 HydrophobicContact CE1-CB 4.38Å; F845-H849 HydrophobicContact CE2-CB 4.28Å; F845-H849 AromaticContact CE2-CD2 3.46Å; F845-H849 VanDerWaalsContact CE2-CD2 3.46Å; F845-H849 WeakPolarHBondContact CE2-CD2 3.33Å; F845-H849 AromaticContact CE2-CG 3.9Å; F845-H849 HydrophobicContact CZ-CB 4.15Å; F845-H849 WeakPolarHBondContact O-CB 3.43Å; F845-H849 PolarHBondContact O-N 2.96Å
846	I	92.9	Very high	91.7	Very high	89 Å²	89	95.4 Å²	95.4	46%	0.456	47%	0.471	S	S	.	.	H	α-helix	trans	-66.5	-33.8	177.8	-57.1	-62.7	0	0	0	110.9	I842 S843 G850	I842-I846 HydrophobicContact CD1-CB 4.46Å; I842-I846 HydrophobicContact CD1-CG2 4.04Å; I842-I846 HydrophobicContact CG1-CB 4.12Å; I842-I846 HydrophobicContact CG1-CG2 4.13Å; S843-I846 PolarHBondContact O-N 3.25Å; I846-G850 WeakPolarHBondContact O-CA 3.5Å; I846-G850 PolarHBondContact O-N 3.44Å
847	Y	92.7	Very high	91.3	Very high	20 Å²	20	97.2 Å²	97.2	8%	0.078	47%	0.469	C	S	.	.	H	α-helix	trans	-64.7	-50.3	171.2	-180	-96.8	0	0	0	111.9	S843 K844 F845 Q851 C1029 A1034 E1037	S843-Y847 PolarHBondContact O-N 3.35Å; K844-Y847 PolarHBondContact O-N 3.03Å; F845-Y847 VanDerWaalsContact C-N 3.3Å; F845-Y847 PolarHBondContact O-N 3.15Å; Y847-Q851 VanDerWaalsContact O-CG 3.26Å; Y847-Q851 WeakPolarHBondContact O-CG 3.49Å; Y847-Q851 PolarHBondContact O-NE2 3.03Å; Y847-Q851 VanDerWaalsContact O-NE2 3.12Å; Y847-C1029 VanDerWaalsContact CD2-SG 3.58Å; Y847-A1034 HydrophobicContact CD1-CB 4.17Å; Y847-A1034 HydrophobicContact CD2-CB 4.2Å; Y847-A1034 HydrophobicContact CE1-CB 3.7Å; Y847-A1034 HydrophobicContact CE2-CB 3.74Å; Y847-A1034 HydrophobicContact CG-CB 4.4Å; Y847-A1034 VanDerWaalsContact CZ-CB 3.45Å; Y847-A1034 WeakPolarHBondContact OH-CA 3.39Å; Y847-E1037 PolarHBondContact OH-OE1 3.29Å; Y847-E1037 PolarHBondContact OH-OE2 2.8Å
848	R	88.9	Confident	91.1	Very high	101 Å²	101	95.3 Å²	95.3	38%	0.381	47%	0.465	S	S	.	.	H	α-helix	trans	-75.4	-29.7	-176.4	-68.3	-64	-174.4	172.8	1.5	114.8	K844 F845 D1031	K844-R848 HydrophobicContact CG-CG 4.46Å; K844-R848 WeakPolarHBondContact O-CG 3.4Å; K844-R848 PolarHBondContact O-N 3.47Å; F845-R848 PolarHBondContact O-N 3Å; R848-D1031 IonicContact CZ-OD2 2.66Å; R848-D1031 VanDerWaalsContact CZ-OD2 3.26Å; R848-D1031 IonicContact NE-OD2 3.37Å; R848-D1031 PolarHBondContact NE-OD2 2.84Å; R848-D1031 IonicContact NH2-OD1 2.72Å; R848-D1031 PolarHBondContact NH2-OD1 3.33Å; R848-D1031 IonicContact NH2-OD2 2.69Å; R848-D1031 PolarHBondContact NH2-OD2 3.28Å
849	H	89.6	Confident	91	Very high	93 Å²	93	95.1 Å²	95.1	43%	0.431	46%	0.461	S	S	.	.	H	α-helix	trans	-120.1	-11.3	-173.7	-59.5	-83.1	0	0	0	114.6	F845 Q851 F855	F845-H849 AromaticContact CD2-CD2 3.42Å; F845-H849 VanDerWaalsContact CD2-CD2 3.42Å; F845-H849 WeakPolarHBondContact CD2-CD2 3.23Å; F845-H849 HydrophobicContact CE1-CB 4.38Å; F845-H849 HydrophobicContact CE2-CB 4.28Å; F845-H849 AromaticContact CE2-CD2 3.46Å; F845-H849 VanDerWaalsContact CE2-CD2 3.46Å; F845-H849 WeakPolarHBondContact CE2-CD2 3.33Å; F845-H849 AromaticContact CE2-CG 3.9Å; F845-H849 HydrophobicContact CZ-CB 4.15Å; F845-H849 WeakPolarHBondContact O-CB 3.43Å; F845-H849 PolarHBondContact O-N 2.96Å; H849-Q851 VanDerWaalsContact C-N 3.28Å; H849-F855 HydrophobicContact CB-CZ 4.19Å; H849-F855 WeakPolarHBondContact O-CE2 3.28Å; H849-F855 VanDerWaalsContact O-CZ 3.26Å; H849-F855 WeakPolarHBondContact O-CZ 3.33Å
850	G	87.6	Confident	90.8	Very high	48 Å²	48	94.2 Å²	94.2	50%	0.495	45%	0.452	S	S	.	.	S	Bend	trans	-78.8	-11.5	174.7	0	0	0	0	0	113.9	I846 I852	I846-G850 WeakPolarHBondContact O-CA 3.5Å; I846-G850 PolarHBondContact O-N 3.44Å; G850-I852 PolarHBondContact O-N 3.43Å
851	Q	91	Very high	90.5	Very high	73 Å²	73	95.6 Å²	95.6	34%	0.341	46%	0.457	S	S	.	.			trans	-82.2	98.1	-176.3	-65.9	173.4	-2.9	0	0	111	Y847 H849 R853 V854	Y847-Q851 VanDerWaalsContact O-CG 3.26Å; Y847-Q851 WeakPolarHBondContact O-CG 3.49Å; Y847-Q851 PolarHBondContact O-NE2 3.03Å; Y847-Q851 VanDerWaalsContact O-NE2 3.12Å; H849-Q851 VanDerWaalsContact C-N 3.28Å; Q851-R853 PolarHBondContact O-N 3.31Å; Q851-V854 HydrophobicContact CB-CG1 4.12Å; Q851-V854 WeakPolarHBondContact O-CG2 3.46Å; Q851-V854 PolarHBondContact O-N 2.76Å
852	I	92.3	Very high	90.3	Very high	129 Å²	129	97.3 Å²	97.3	66%	0.662	46%	0.458	S	S	*	.	H	α-helix	trans	-52	-21.5	179.8	60.3	169	0	0	0	114.9	G850 N856	G850-I852 PolarHBondContact O-N 3.43Å; I852-N856 WeakPolarHBondContact O-CB 3.26Å; I852-N856 PolarHBondContact O-N 3.4Å; I852-N856 PolarHBondContact O-ND2 3.16Å
853	R	87.4	Confident	89.9	Confident	189 Å²	189	100.3 Å²	100.3	71%	0.713	47%	0.474	S	S	*	.	H	α-helix	trans	-72.7	-23.8	176.5	-68.7	-175.9	178.2	173.9	1.2	114.4	Q851 H857	Q851-R853 PolarHBondContact O-N 3.31Å; R853-H857 WeakPolarHBondContact O-CA 3.44Å; R853-H857 WeakPolarHBondContact O-CB 3.32Å; R853-H857 PolarHBondContact O-N 3.19Å; R853-H857 VanDerWaalsContact O-N 3.12Å
854	V	87.1	Confident	89.4	Confident	70 Å²	70	101.6 Å²	101.6	42%	0.424	47%	0.47	S	S	.	.	H	α-helix	trans	-75.9	-43.6	179.1	-54.3	0	0	0	0	111.3	Q851 H857	Q851-V854 HydrophobicContact CB-CG1 4.12Å; Q851-V854 WeakPolarHBondContact O-CG2 3.46Å; Q851-V854 PolarHBondContact O-N 2.76Å; V854-H857 WeakPolarHBondContact O-CB 3.14Å; V854-H857 PolarHBondContact O-N 2.8Å
855	F	86.9	Confident	88.7	Confident	126 Å²	126	100.7 Å²	100.7	55%	0.553	47%	0.473	S	S	*	.	H	α-helix	trans	-65.2	-45.1	174.6	-55.1	-59.3	0	0	0	112.1	H849 H857	H849-F855 HydrophobicContact CB-CZ 4.19Å; H849-F855 WeakPolarHBondContact O-CE2 3.28Å; H849-F855 VanDerWaalsContact O-CZ 3.26Å; H849-F855 WeakPolarHBondContact O-CZ 3.33Å; F855-H857 PolarHBondContact O-N 3.28Å
856	N	89.9	Confident	88.2	Confident	42 Å²	42	98.8 Å²	98.8	23%	0.225	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	6.9	-177.7	-65.9	-71.4	0	0	0	113.2	I852 S858 R859 D860	I852-N856 WeakPolarHBondContact O-CB 3.26Å; I852-N856 PolarHBondContact O-N 3.4Å; I852-N856 PolarHBondContact O-ND2 3.16Å; N856-S858 VanDerWaalsContact C-N 3.28Å; N856-S858 PolarHBondContact O-N 3.02Å; N856-R859 CarbonylContact O-C 3.56Å; N856-R859 PolarHBondContact O-N 2.86Å; N856-R859 PolarHBondContact OD1-NE 3.16Å; N856-R859 PolarHBondContact OD1-NH1 2.89Å; N856-R859 PolarHBondContact OD1-NH2 2.98Å; N856-R859 VanDerWaalsContact OD1-NH2 3.09Å; N856-D860 WeakPolarHBondContact O-CB 3.31Å; N856-D860 PolarHBondContact O-N 3.36Å
857	H	87.8	Confident	88	Confident	133 Å²	133	100.3 Å²	100.3	62%	0.616	48%	0.477	S	S	*	.	H	α-helix	trans	-57.7	-39.6	-173.2	-173.7	70	0	0	0	113.1	R853 V854 F855 D860 R861	R853-H857 WeakPolarHBondContact O-CA 3.44Å; R853-H857 WeakPolarHBondContact O-CB 3.32Å; R853-H857 PolarHBondContact O-N 3.19Å; R853-H857 VanDerWaalsContact O-N 3.12Å; V854-H857 WeakPolarHBondContact O-CB 3.14Å; V854-H857 PolarHBondContact O-N 2.8Å; F855-H857 PolarHBondContact O-N 3.28Å; H857-D860 PolarHBondContact O-N 3.39Å; H857-R861 PolarHBondContact O-N 2.82Å
858	S	87.6	Confident	87.9	Confident	75 Å²	75	100 Å²	100	52%	0.524	48%	0.478	S	S	.	.	H	α-helix	trans	-61.9	-49.1	173.3	52.7	0	0	0	0	111.7	N856 D860 R861 W862	N856-S858 VanDerWaalsContact C-N 3.28Å; N856-S858 PolarHBondContact O-N 3.02Å; S858-D860 PolarHBondContact O-N 2.87Å; S858-R861 WeakPolarHBondContact O-CB 3.27Å; S858-R861 PolarHBondContact O-N 3.47Å; S858-R861 VanDerWaalsContact O-N 3.16Å; S858-W862 PolarHBondContact O-N 2.79Å
859	R	90.9	Very high	87.9	Confident	141 Å²	141	98.8 Å²	98.8	53%	0.532	48%	0.484	S	S	.	.	H	α-helix	trans	-62.9	-39.9	176.9	-166.9	-179.4	71	-169.1	2.3	112.3	N856 R861 W862 L863	N856-R859 CarbonylContact O-C 3.56Å; N856-R859 PolarHBondContact O-N 2.86Å; N856-R859 PolarHBondContact OD1-NE 3.16Å; N856-R859 PolarHBondContact OD1-NH1 2.89Å; N856-R859 PolarHBondContact OD1-NH2 2.98Å; N856-R859 VanDerWaalsContact OD1-NH2 3.09Å; R859-R861 VanDerWaalsContact C-N 3.31Å; R859-R861 PolarHBondContact O-N 3.02Å; R859-W862 WeakPolarHBondContact O-CB 3.19Å; R859-W862 PolarHBondContact O-N 2.79Å; R859-L863 HydrophobicContact CG-CD1 4.14Å; R859-L863 WeakPolarHBondContact O-CB 3.48Å; R859-L863 VanDerWaalsContact O-CG 3.3Å; R859-L863 WeakPolarHBondContact O-CG 3.32Å; R859-L863 PolarHBondContact O-N 2.87Å
860	D	88	Confident	88	Confident	36 Å²	36	97 Å²	97	19%	0.193	48%	0.475	C	S	.	.	H	α-helix	trans	-62	-37.9	173.8	-95.4	43	0	0	0	111.3	N856 H857 S858 K864	N856-D860 WeakPolarHBondContact O-CB 3.31Å; N856-D860 PolarHBondContact O-N 3.36Å; H857-D860 PolarHBondContact O-N 3.39Å; S858-D860 PolarHBondContact O-N 2.87Å; D860-K864 HydrophobicContact CB-CD 4.49Å; D860-K864 WeakPolarHBondContact O-CB 3.42Å; D860-K864 WeakPolarHBondContact O-CD 3.25Å; D860-K864 VanDerWaalsContact O-CG 3.29Å; D860-K864 WeakPolarHBondContact O-CG 3.31Å; D860-K864 PolarHBondContact O-N 3.25Å; D860-K864 IonicContact OD2-NZ 3.48Å; D860-K864 PolarHBondContact OD2-NZ 3.39Å
861	R	89	Confident	88.1	Confident	170 Å²	170	96 Å²	96	64%	0.642	46%	0.461	S	S	*	.	H	α-helix	trans	-64.6	-45.7	172.4	-178.6	-179.9	174.8	-178.2	-2.5	111.4	H857 S858 R859 V865	H857-R861 PolarHBondContact O-N 2.82Å; S858-R861 WeakPolarHBondContact O-CB 3.27Å; S858-R861 PolarHBondContact O-N 3.47Å; S858-R861 VanDerWaalsContact O-N 3.16Å; R859-R861 VanDerWaalsContact C-N 3.31Å; R859-R861 PolarHBondContact O-N 3.02Å; R861-V865 HydrophobicContact CG-CG2 4.21Å; R861-V865 VanDerWaalsContact O-CB 3.28Å; R861-V865 WeakPolarHBondContact O-CB 3.33Å; R861-V865 PolarHBondContact O-N 2.91Å
862	W	89.4	Confident	88.1	Confident	151 Å²	151	95.3 Å²	95.3	57%	0.572	46%	0.463	S	S	*	.	I	π-helix	trans	-56.2	-52.3	173.5	-74.2	104.5	0	0	0	111.2	S858 R859 K864 L866 L867	S858-W862 PolarHBondContact O-N 2.79Å; R859-W862 WeakPolarHBondContact O-CB 3.19Å; R859-W862 PolarHBondContact O-N 2.79Å; W862-K864 PolarHBondContact O-N 3.49Å; W862-L866 HydrophobicContact CD2-CD1 4.03Å; W862-L866 HydrophobicContact CE3-CB 4.11Å; W862-L866 HydrophobicContact CE3-CD1 3.44Å; W862-L866 VanDerWaalsContact CE3-CD1 3.44Å; W862-L866 HydrophobicContact CE3-CG 4.41Å; W862-L866 HydrophobicContact CH2-CD1 4.21Å; W862-L866 HydrophobicContact CZ3-CD1 3.55Å; W862-L866 PolarHBondContact O-N 3.49Å; W862-L866 VanDerWaalsContact O-N 3.1Å; W862-L867 PolarHBondContact O-N 2.89Å
863	L	87.9	Confident	88.1	Confident	95 Å²	95	94.3 Å²	94.3	50%	0.497	46%	0.459	S	S	.	.	I	π-helix	trans	-66	-36.6	-177.1	-68.2	170.3	0	0	0	114.1	R859	R859-L863 HydrophobicContact CG-CD1 4.14Å; R859-L863 WeakPolarHBondContact O-CB 3.48Å; R859-L863 VanDerWaalsContact O-CG 3.3Å; R859-L863 WeakPolarHBondContact O-CG 3.32Å; R859-L863 PolarHBondContact O-N 2.87Å
864	K	82.4	Confident	88.2	Confident	104 Å²	104	91 Å²	91	45%	0.452	45%	0.448	S	S	.	.	I	π-helix	trans	-91.8	-27	-174.5	-69.1	166.4	178	164.3	0	114.2	D860 W862 S868 L909	D860-K864 HydrophobicContact CB-CD 4.49Å; D860-K864 WeakPolarHBondContact O-CB 3.42Å; D860-K864 WeakPolarHBondContact O-CD 3.25Å; D860-K864 VanDerWaalsContact O-CG 3.29Å; D860-K864 WeakPolarHBondContact O-CG 3.31Å; D860-K864 PolarHBondContact O-N 3.25Å; D860-K864 IonicContact OD2-NZ 3.48Å; D860-K864 PolarHBondContact OD2-NZ 3.39Å; W862-K864 PolarHBondContact O-N 3.49Å; K864-S868 WeakPolarHBondContact O-CB 3.2Å; K864-L909 HydrophobicContact CB-CD2 4.24Å; K864-L909 VanDerWaalsContact O-CD2 3.26Å; K864-L909 WeakPolarHBondContact O-CD2 3.2Å
865	V	80.3	Confident	88.4	Confident	90 Å²	90	87.7 Å²	87.7	55%	0.545	43%	0.428	S	S	.	.	I	π-helix	trans	-111	-38.9	-172.2	-172.1	0	0	0	0	112.4	R861	R861-V865 HydrophobicContact CG-CG2 4.21Å; R861-V865 VanDerWaalsContact O-CB 3.28Å; R861-V865 WeakPolarHBondContact O-CB 3.33Å; R861-V865 PolarHBondContact O-N 2.91Å
866	L	81.9	Confident	88.6	Confident	99 Å²	99	85.4 Å²	85.4	52%	0.518	42%	0.419	S	S	.	.	I	π-helix	trans	-107.8	-38.5	-169.9	-62.6	173.1	0	0	0	113.3	W862	W862-L866 HydrophobicContact CD2-CD1 4.03Å; W862-L866 HydrophobicContact CE3-CB 4.11Å; W862-L866 HydrophobicContact CE3-CD1 3.44Å; W862-L866 VanDerWaalsContact CE3-CD1 3.44Å; W862-L866 HydrophobicContact CE3-CG 4.41Å; W862-L866 HydrophobicContact CH2-CD1 4.21Å; W862-L866 HydrophobicContact CZ3-CD1 3.55Å; W862-L866 PolarHBondContact O-N 3.49Å; W862-L866 VanDerWaalsContact O-N 3.1Å
867	L	89.3	Confident	88.6	Confident	121 Å²	121	87.7 Å²	87.7	63%	0.634	43%	0.428	S	S	*	.	S	Bend	trans	-103.4	17.5	178.7	-56.6	177.7	0	0	0	112.4	W862	W862-L867 PolarHBondContact O-N 2.89Å
868	S	90.4	Very high	88.7	Confident	14 Å²	14	82.8 Å²	82.8	10%	0.098	41%	0.409	C	S	.	.			trans	-77.8	125.6	176.4	178.9	0	0	0	0	109.8	K864 F870 A871	K864-S868 WeakPolarHBondContact O-CB 3.2Å; S868-F870 PolarHBondContact O-N 2.91Å; S868-F870 PolarHBondContact OG-N 3.26Å; S868-A871 PolarHBondContact O-N 2.96Å; S868-A871 VanDerWaalsContact O-N 3.13Å
869	P	90.1	Very high	88.7	Confident	76 Å²	76	79.7 Å²	79.7	49%	0.494	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-8.8	175.9	29.8	-35.9	0	0	0	112.6	F891	P869-F891 WeakPolarHBondContact O-CE2 3.39Å; P869-F891 WeakPolarHBondContact O-CZ 3.33Å
870	F	90	Very high	88.6	Confident	55 Å²	55	78.3 Å²	78.3	24%	0.241	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	21.6	176	-51.1	-74	0	0	0	112.9	S868 P872 F891 M904 A905 M908	S868-F870 PolarHBondContact O-N 2.91Å; S868-F870 PolarHBondContact OG-N 3.26Å; F870-P872 WeakPolarHBondContact O-CD 3.42Å; F870-F891 HydrophobicContact CD1-CE1 4.06Å; F870-F891 HydrophobicContact CD1-CZ 4.04Å; F870-F891 AromaticContact CE1-CE1 3.97Å; F870-F891 HydrophobicContact CE1-CE1 3.97Å; F870-F891 HydrophobicContact CE1-CZ 4.17Å; F870-M904 HydrophobicContact CD1-CE 4.12Å; F870-M904 HydrophobicContact CD1-CG 4.42Å; F870-M904 HydrophobicContact CE1-CE 3.75Å; F870-A905 WeakPolarHBondContact O-CB 3.48Å; F870-M908 HydrophobicContact CD1-CG 4.19Å; F870-M908 HydrophobicContact CD2-CB 4.12Å; F870-M908 HydrophobicContact CD2-CG 3.86Å; F870-M908 HydrophobicContact CE1-CG 4.29Å; F870-M908 HydrophobicContact CE2-CG 3.97Å; F870-M908 HydrophobicContact CE2-SD 4.46Å; F870-M908 HydrophobicContact CG-CB 4.4Å; F870-M908 HydrophobicContact CG-CG 3.97Å; F870-M908 HydrophobicContact CZ-CG 4.18Å; F870-M908 HydrophobicContact CZ-SD 4.45Å
871	A	90.6	Very high	88.6	Confident	26 Å²	26	83.7 Å²	83.7	22%	0.215	41%	0.408	C	S	.	.			trans	-61.1	124.6	172.6	0	0	0	0	0	110.1	S868 D873 Y874 I875	S868-A871 PolarHBondContact O-N 2.96Å; S868-A871 VanDerWaalsContact O-N 3.13Å; A871-D873 VanDerWaalsContact C-N 3.29Å; A871-D873 PolarHBondContact O-N 3.2Å; A871-Y874 PolarHBondContact O-N 3.02Å; A871-Y874 VanDerWaalsContact O-N 3.13Å; A871-I875 WeakPolarHBondContact O-CG1 3.47Å; A871-I875 PolarHBondContact O-N 2.86Å
872	P	91.7	Very high	88.4	Confident	59 Å²	59	80.7 Å²	80.7	38%	0.383	40%	0.397	S	S	.	.	H	α-helix	trans	-57.2	-40.6	-173.4	-27.6	34.5	0	0	0	113.6	F870 I875 Q876 A902 A905	F870-P872 WeakPolarHBondContact O-CD 3.42Å; P872-I875 PolarHBondContact O-N 3.25Å; P872-Q876 VanDerWaalsContact O-CG 3.24Å; P872-Q876 WeakPolarHBondContact O-CG 3.49Å; P872-Q876 PolarHBondContact O-N 3.03Å; P872-A902 HydrophobicContact CB-CB 4.46Å; P872-A905 HydrophobicContact CG-CB 3.69Å
873	D	90.6	Very high	88.1	Confident	108 Å²	108	83.1 Å²	83.1	58%	0.578	41%	0.411	S	S	*	.	H	α-helix	trans	-61.7	-47.5	177	-178.6	37.1	0	0	0	111.8	A871 I875 Q876 Q877	A871-D873 VanDerWaalsContact C-N 3.29Å; A871-D873 PolarHBondContact O-N 3.2Å; D873-I875 VanDerWaalsContact C-N 3.33Å; D873-I875 PolarHBondContact O-N 3.32Å; D873-Q876 PolarHBondContact O-N 3.03Å; D873-Q876 VanDerWaalsContact O-N 3.15Å; D873-Q877 WeakPolarHBondContact O-CB 3.43Å; D873-Q877 WeakPolarHBondContact O-CG 3.43Å; D873-Q877 PolarHBondContact O-N 2.65Å; D873-Q877 PolarHBondContact OD1-NE2 3.34Å; D873-Q877 PolarHBondContact OD2-NE2 2.78Å
874	Y	90.5	Very high	87.8	Confident	120 Å²	120	80.4 Å²	80.4	47%	0.471	41%	0.406	S	S	.	.	H	α-helix	trans	-59.6	-40.2	174.2	177.1	-106.3	0	0	0	112.6	A871 S878 F891	A871-Y874 PolarHBondContact O-N 3.02Å; A871-Y874 VanDerWaalsContact O-N 3.13Å; Y874-S878 WeakPolarHBondContact O-CB 3.4Å; Y874-S878 PolarHBondContact O-N 3.5Å; Y874-F891 HydrophobicContact CD1-CE2 4.49Å; Y874-F891 HydrophobicContact CE1-CE2 4.26Å
875	I	91.2	Very high	87.6	Confident	0 Å²	0	83.1 Å²	83.1	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-64.2	-44.3	175.6	-59.7	164.4	0	0	0	110.4	A871 P872 D873 L879 F891 L894 P901	A871-I875 WeakPolarHBondContact O-CG1 3.47Å; A871-I875 PolarHBondContact O-N 2.86Å; P872-I875 PolarHBondContact O-N 3.25Å; D873-I875 VanDerWaalsContact C-N 3.33Å; D873-I875 PolarHBondContact O-N 3.32Å; I875-L879 WeakPolarHBondContact O-CB 3.42Å; I875-L879 PolarHBondContact O-N 2.71Å; I875-F891 HydrophobicContact CB-CD2 4.38Å; I875-F891 HydrophobicContact CG1-CD2 3.86Å; I875-F891 HydrophobicContact CG1-CE2 3.92Å; I875-F891 HydrophobicContact CG1-CG 4.39Å; I875-F891 HydrophobicContact CG2-CB 3.97Å; I875-F891 HydrophobicContact CG2-CD2 4.16Å; I875-F891 HydrophobicContact CG2-CG 4.18Å; I875-L894 HydrophobicContact CG2-CD2 4.4Å; I875-P901 HydrophobicContact CB-CB 4.06Å; I875-P901 HydrophobicContact CD1-CB 4.4Å; I875-P901 HydrophobicContact CG2-CB 3.69Å; I875-P901 HydrophobicContact CG2-CG 3.96Å
876	Q	91.1	Very high	87.5	Confident	78 Å²	78	86.6 Å²	86.6	36%	0.364	44%	0.439	S	S	.	.	H	α-helix	trans	-63.6	-45.8	178.3	-67.9	-75.1	9.7	0	0	111.9	P872 D873 L879 F880	P872-Q876 VanDerWaalsContact O-CG 3.24Å; P872-Q876 WeakPolarHBondContact O-CG 3.49Å; P872-Q876 PolarHBondContact O-N 3.03Å; D873-Q876 PolarHBondContact O-N 3.03Å; D873-Q876 VanDerWaalsContact O-N 3.15Å; Q876-L879 PolarHBondContact O-N 3.33Å; Q876-F880 WeakPolarHBondContact O-CD2 3.28Å; Q876-F880 PolarHBondContact O-N 2.91Å; Q876-F880 VanDerWaalsContact O-N 3.11Å
877	Q	89.5	Confident	87.7	Confident	91 Å²	91	85.9 Å²	85.9	43%	0.425	43%	0.433	S	S	.	.	H	α-helix	trans	-61.3	-52.7	175.7	-68.8	175.5	24	0	0	110.8	D873 L879 F880 H881	D873-Q877 WeakPolarHBondContact O-CB 3.43Å; D873-Q877 WeakPolarHBondContact O-CG 3.43Å; D873-Q877 PolarHBondContact O-N 2.65Å; D873-Q877 PolarHBondContact OD1-NE2 3.34Å; D873-Q877 PolarHBondContact OD2-NE2 2.78Å; Q877-L879 VanDerWaalsContact C-N 3.31Å; Q877-L879 PolarHBondContact O-N 3.43Å; Q877-F880 PolarHBondContact O-N 3.24Å; Q877-H881 WeakPolarHBondContact O-CA 3.42Å; Q877-H881 WeakPolarHBondContact O-CB 3.41Å; Q877-H881 PolarHBondContact O-N 3.46Å
878	S	89.7	Confident	87.2	Confident	29 Å²	29	83.8 Å²	83.8	20%	0.203	44%	0.441	C	S	.	.	H	α-helix	trans	-61.9	-34	179.9	-178	0	0	0	0	113.6	Y874 S889	Y874-S878 WeakPolarHBondContact O-CB 3.4Å; Y874-S878 PolarHBondContact O-N 3.5Å; S878-S889 WeakPolarHBondContact O-CB 3.22Å
879	L	88.9	Confident	87	Confident	11 Å²	11	83.6 Å²	83.6	6%	0.058	44%	0.439	C	S	.	.	H	α-helix	trans	-75.3	-43.7	-178.2	-178.4	58.8	0	0	0	112.6	I875 Q876 Q877 R882 R895	I875-L879 WeakPolarHBondContact O-CB 3.42Å; I875-L879 PolarHBondContact O-N 2.71Å; Q876-L879 PolarHBondContact O-N 3.33Å; Q877-L879 VanDerWaalsContact C-N 3.31Å; Q877-L879 PolarHBondContact O-N 3.43Å; L879-R882 PolarHBondContact O-NE 3.28Å; L879-R882 PolarHBondContact O-NH2 2.55Å; L879-R895 HydrophobicContact CD1-CB 4.47Å; L879-R895 HydrophobicContact CD2-CB 4.36Å
880	F	88	Confident	86.9	Confident	111 Å²	111	84.6 Å²	84.6	49%	0.487	45%	0.447	S	S	.	.	H	α-helix	trans	-108.5	-26.2	-169.2	-65.7	-71.2	0	0	0	115.3	Q876 Q877	Q876-F880 WeakPolarHBondContact O-CD2 3.28Å; Q876-F880 PolarHBondContact O-N 2.91Å; Q876-F880 VanDerWaalsContact O-N 3.11Å; Q877-F880 PolarHBondContact O-N 3.24Å
881	H	87.3	Confident	86.9	Confident	149 Å²	149	83.1 Å²	83.1	69%	0.69	44%	0.441	S	S	*	.			trans	-105.7	76.1	-176.4	-60.5	80.9	0	0	0	110.7	Q877	Q877-H881 WeakPolarHBondContact O-CA 3.42Å; Q877-H881 WeakPolarHBondContact O-CB 3.41Å; Q877-H881 PolarHBondContact O-N 3.46Å
882	R	85.4	Confident	86.8	Confident	108 Å²	108	84.3 Å²	84.3	41%	0.408	45%	0.447	S	S	.	.			trans	-90.3	150.9	179.4	-61.5	-178	-165.6	175.8	10.7	111.5	L879 E887 S889	L879-R882 PolarHBondContact O-NE 3.28Å; L879-R882 PolarHBondContact O-NH2 2.55Å; R882-E887 WeakPolarHBondContact CA-OE2 3.43Å; R882-E887 HydrophobicContact CB-CB 4.26Å; R882-E887 WeakPolarHBondContact CB-OE2 3.39Å; R882-E887 WeakPolarHBondContact CD-O 3.39Å; R882-E887 HydrophobicContact CG-CB 4.48Å; R882-E887 PolarHBondContact NH1-O 3.45Å; R882-S889 PolarHBondContact NH2-OG 3.41Å
883	K	83.6	Confident	86.8	Confident	202 Å²	202	85.5 Å²	85.5	88%	0.878	45%	0.446	S	S	*	.	S	Bend	trans	-85.1	-19.5	175.9	-65.1	-179.3	179.2	179.2	0	112.8	E887	K883-E887 PolarHBondContact N-OE2 3.03Å
884	G	81.9	Confident	86.8	Confident	37 Å²	37	80.8 Å²	80.8	38%	0.381	42%	0.421	S	S	.	.	S	Bend	trans	-141.2	158.1	176.1	0	0	0	0	0	112.7	N886 E887	G884-N886 PolarHBondContact O-N 2.74Å; G884-E887 PolarHBondContact N-OE2 3.33Å; G884-E887 PolarHBondContact O-N 3.39Å
885	I	78.4	Confident	86.7	Confident	161 Å²	161	82.6 Å²	82.6	83%	0.826	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-47.8	-176.3	-56.6	175.2	0	0	0	110.9
886	N	78.3	Confident	86.6	Confident	163 Å²	163	85.4 Å²	85.4	87%	0.872	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	45.6	-177	-67.1	-17.2	0	0	0	112.5	G884	G884-N886 PolarHBondContact O-N 2.74Å
887	E	84.6	Confident	86.6	Confident	85 Å²	85	84.1 Å²	84.1	40%	0.397	43%	0.434	S	S	.	.			trans	-91	133	176.4	-171.4	173.9	-160.6	0	0	112.2	R882 K883 G884 S889	R882-E887 WeakPolarHBondContact CA-OE2 3.43Å; R882-E887 HydrophobicContact CB-CB 4.26Å; R882-E887 WeakPolarHBondContact CB-OE2 3.39Å; R882-E887 WeakPolarHBondContact CD-O 3.39Å; R882-E887 HydrophobicContact CG-CB 4.48Å; R882-E887 PolarHBondContact NH1-O 3.45Å; K883-E887 PolarHBondContact N-OE2 3.03Å; G884-E887 PolarHBondContact N-OE2 3.33Å; G884-E887 PolarHBondContact O-N 3.39Å; E887-S889 PolarHBondContact O-N 3.41Å
888	G	79.8	Confident	86.6	Confident	76 Å²	76	83.2 Å²	83.2	78%	0.784	43%	0.433	S	S	*	.			trans	-89.1	93.2	-175.3	0	0	0	0	0	114.1
889	S	86.9	Confident	86.6	Confident	10 Å²	10	84 Å²	84	7%	0.07	44%	0.436	C	S	.	.			trans	-76.9	129.1	175.5	63.3	0	0	0	0	112.6	S878 R882 E887 F891 S892	S878-S889 WeakPolarHBondContact O-CB 3.22Å; R882-S889 PolarHBondContact NH2-OG 3.41Å; E887-S889 PolarHBondContact O-N 3.41Å; S889-F891 PolarHBondContact O-N 3.44Å; S889-F891 VanDerWaalsContact O-N 3.08Å; S889-S892 VanDerWaalsContact O-CB 3.29Å; S889-S892 WeakPolarHBondContact O-CB 3.44Å; S889-S892 PolarHBondContact O-N 2.85Å; S889-S892 PolarHBondContact O-OG 2.94Å; S889-S892 VanDerWaalsContact O-OG 3.1Å
890	C	87	Confident	86.8	Confident	97 Å²	97	85.8 Å²	85.8	66%	0.655	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-30.4	-174.7	-58.6	0	0	0	0	115.3	F893	C890-F893 WeakPolarHBondContact O-CE1 3.48Å
891	F	90.2	Very high	86.9	Confident	25 Å²	25	81.3 Å²	81.3	11%	0.11	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	15.9	-178.9	-60.9	-65.8	0	0	0	113.8	P869 F870 Y874 I875 S889 F893 L894	P869-F891 WeakPolarHBondContact O-CE2 3.39Å; P869-F891 WeakPolarHBondContact O-CZ 3.33Å; F870-F891 HydrophobicContact CD1-CE1 4.06Å; F870-F891 HydrophobicContact CD1-CZ 4.04Å; F870-F891 AromaticContact CE1-CE1 3.97Å; F870-F891 HydrophobicContact CE1-CE1 3.97Å; F870-F891 HydrophobicContact CE1-CZ 4.17Å; Y874-F891 HydrophobicContact CD1-CE2 4.49Å; Y874-F891 HydrophobicContact CE1-CE2 4.26Å; I875-F891 HydrophobicContact CB-CD2 4.38Å; I875-F891 HydrophobicContact CG1-CD2 3.86Å; I875-F891 HydrophobicContact CG1-CE2 3.92Å; I875-F891 HydrophobicContact CG1-CG 4.39Å; I875-F891 HydrophobicContact CG2-CB 3.97Å; I875-F891 HydrophobicContact CG2-CD2 4.16Å; I875-F891 HydrophobicContact CG2-CG 4.18Å; S889-F891 PolarHBondContact O-N 3.44Å; S889-F891 VanDerWaalsContact O-N 3.08Å; F891-F893 VanDerWaalsContact C-N 3.28Å; F891-F893 HydrophobicContact CD1-CE1 4.44Å; F891-F893 PolarHBondContact O-N 3.41Å; F891-L894 VanDerWaalsContact O-CB 3.25Å; F891-L894 WeakPolarHBondContact O-CB 3.44Å; F891-L894 PolarHBondContact O-N 3.35Å
892	S	89.2	Confident	87.1	Confident	50 Å²	50	76.7 Å²	76.7	35%	0.35	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-50.7	-44.7	179	52.7	0	0	0	0	113.3	S889 L894 R895	S889-S892 VanDerWaalsContact O-CB 3.29Å; S889-S892 WeakPolarHBondContact O-CB 3.44Å; S889-S892 PolarHBondContact O-N 2.85Å; S889-S892 PolarHBondContact O-OG 2.94Å; S889-S892 VanDerWaalsContact O-OG 3.1Å; S892-L894 PolarHBondContact O-N 2.84Å; S892-R895 PolarHBondContact O-N 3.01Å
893	F	90.6	Very high	87.4	Confident	84 Å²	84	76.8 Å²	76.8	37%	0.368	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-58.7	-27.8	179.7	71.4	-91.8	0	0	0	113.4	C890 F891 R895 F896 I897 F952	C890-F893 WeakPolarHBondContact O-CE1 3.48Å; F891-F893 VanDerWaalsContact C-N 3.28Å; F891-F893 HydrophobicContact CD1-CE1 4.44Å; F891-F893 PolarHBondContact O-N 3.41Å; F893-R895 PolarHBondContact O-N 2.85Å; F893-F896 PolarHBondContact O-N 2.93Å; F893-F896 VanDerWaalsContact O-N 3.07Å; F893-I897 HydrophobicContact CD2-CD1 3.79Å; F893-I897 HydrophobicContact CE2-CD1 4.3Å; F893-F952 HydrophobicContact CB-CE2 4.23Å
894	L	90.4	Very high	87.7	Confident	9 Å²	9	68.9 Å²	68.9	5%	0.047	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-65.6	-23.1	-177.6	-168.5	63.2	0	0	0	111.8	I875 F891 S892 F896 I897 V899 P901 M904	I875-L894 HydrophobicContact CG2-CD2 4.4Å; F891-L894 VanDerWaalsContact O-CB 3.25Å; F891-L894 WeakPolarHBondContact O-CB 3.44Å; F891-L894 PolarHBondContact O-N 3.35Å; S892-L894 PolarHBondContact O-N 2.84Å; L894-F896 VanDerWaalsContact C-N 3.28Å; L894-F896 PolarHBondContact O-N 2.98Å; L894-I897 PolarHBondContact O-N 3.47Å; L894-V899 HydrophobicContact CD1-CB 3.95Å; L894-V899 HydrophobicContact CD1-CG1 4.12Å; L894-V899 WeakPolarHBondContact CD1-O 3.48Å; L894-V899 WeakPolarHBondContact CG-O 3.41Å; L894-P901 HydrophobicContact CD2-CG 4.38Å; L894-M904 HydrophobicContact CD1-CB 4.4Å; L894-M904 HydrophobicContact CD2-CB 3.93Å; L894-M904 HydrophobicContact CD2-CG 4.21Å
895	R	88.6	Confident	88.1	Confident	158 Å²	158	67.3 Å²	67.3	60%	0.596	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-71.3	-20.1	175.3	-174.5	54.1	178.5	179.5	0.5	113.8	L879 S892 F893	L879-R895 HydrophobicContact CD1-CB 4.47Å; L879-R895 HydrophobicContact CD2-CB 4.36Å; S892-R895 PolarHBondContact O-N 3.01Å; F893-R895 PolarHBondContact O-N 2.85Å
896	F	90.1	Very high	88.7	Confident	60 Å²	60	63.9 Å²	63.9	26%	0.263	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-102.3	1.5	179.4	-57.2	-77.8	0	0	0	113	F893 L894 L947 N949 K950 F952	F893-F896 PolarHBondContact O-N 2.93Å; F893-F896 VanDerWaalsContact O-N 3.07Å; L894-F896 VanDerWaalsContact C-N 3.28Å; L894-F896 PolarHBondContact O-N 2.98Å; F896-L947 HydrophobicContact CD1-CB 4.27Å; F896-L947 HydrophobicContact CE1-CB 3.99Å; F896-L947 HydrophobicContact CE1-CD2 4.46Å; F896-N949 PolarHBondContact O-OD1 3.37Å; F896-K950 WeakPolarHBondContact O-CA 3.46Å; F896-K950 PolarHBondContact O-N 3.45Å; F896-F952 HydrophobicContact CB-CB 4.4Å; F896-F952 HydrophobicContact CB-CD1 4.06Å; F896-F952 HydrophobicContact CB-CD2 3.83Å; F896-F952 HydrophobicContact CB-CE1 4.28Å; F896-F952 HydrophobicContact CB-CE2 4.08Å; F896-F952 HydrophobicContact CB-CG 3.83Å; F896-F952 HydrophobicContact CB-CZ 4.3Å; F896-F952 HydrophobicContact CD2-CE1 4.47Å; F896-F952 HydrophobicContact CD2-CE2 4.01Å; F896-F952 AromaticContact CD2-CZ 3.94Å; F896-F952 HydrophobicContact CD2-CZ 3.94Å; F896-F952 HydrophobicContact CG-CD1 4.49Å; F896-F952 HydrophobicContact CG-CE1 4.25Å; F896-F952 HydrophobicContact CG-CE2 4.28Å; F896-F952 HydrophobicContact CG-CZ 4.14Å
897	I	89.6	Confident	89.4	Confident	50 Å²	50	57.6 Å²	57.6	26%	0.256	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	150.2	176.9	-65	-177.1	0	0	0	109.2	F893 L894 V899 N949 L953	F893-I897 HydrophobicContact CD2-CD1 3.79Å; F893-I897 HydrophobicContact CE2-CD1 4.3Å; L894-I897 PolarHBondContact O-N 3.47Å; I897-V899 HydrophobicContact CG2-CB 4.29Å; I897-V899 HydrophobicContact CG2-CG2 4.03Å; I897-V899 PolarHBondContact O-N 3.39Å; I897-N949 VanDerWaalsContact C-OD1 3.29Å; I897-N949 PolarHBondContact N-OD1 3.25Å; I897-N949 PolarHBondContact O-OD1 3.23Å; I897-L953 HydrophobicContact CG1-CD2 4.45Å
898	D	89.6	Confident	89.6	Confident	73 Å²	73	56.5 Å²	56.5	39%	0.39	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	48.3	177.3	-153.4	35.6	0	0	0	113.7	K950	D898-K950 VanDerWaalsContact CB-CE 3.44Å; D898-K950 HydrophobicContact CB-CG 4.24Å; D898-K950 WeakPolarHBondContact OD1-CE 3.28Å; D898-K950 IonicContact OD1-NZ 3.18Å; D898-K950 PolarHBondContact OD1-NZ 3.36Å; D898-K950 WeakPolarHBondContact OD2-CE 3.27Å; D898-K950 IonicContact OD2-NZ 2.68Å; D898-K950 PolarHBondContact OD2-NZ 2.84Å
899	V	91.1	Very high	90	Very high	44 Å²	44	57.4 Å²	57.4	27%	0.267	31%	0.306	S	S	.	.			trans	-143.3	120.5	179.1	179.2	0	0	0	0	110	L894 I897 E903 M904	L894-V899 HydrophobicContact CD1-CB 3.95Å; L894-V899 HydrophobicContact CD1-CG1 4.12Å; L894-V899 WeakPolarHBondContact CD1-O 3.48Å; L894-V899 WeakPolarHBondContact CG-O 3.41Å; I897-V899 HydrophobicContact CG2-CB 4.29Å; I897-V899 HydrophobicContact CG2-CG2 4.03Å; I897-V899 PolarHBondContact O-N 3.39Å; V899-E903 HydrophobicContact CG1-CB 3.94Å; V899-M904 HydrophobicContact CG1-CB 4.04Å
900	S	91.4	Very high	90	Very high	49 Å²	49	63.6 Å²	63.6	34%	0.343	33%	0.334	S	S	.	.			trans	-66.7	149	174.8	174.4	0	0	0	0	112.4	A902 E903 M904	S900-A902 PolarHBondContact O-N 2.89Å; S900-A902 VanDerWaalsContact O-N 3.14Å; S900-A902 PolarHBondContact OG-N 2.77Å; S900-E903 VanDerWaalsContact CB-OE2 3.22Å; S900-E903 WeakPolarHBondContact CB-OE2 3.49Å; S900-E903 PolarHBondContact N-OE2 3.4Å; S900-E903 WeakPolarHBondContact O-CA 3.41Å; S900-E903 WeakPolarHBondContact O-CB 2.9Å; S900-E903 PolarHBondContact O-N 3.25Å; S900-M904 PolarHBondContact O-N 3.44Å
901	P	90.8	Very high	90.1	Very high	18 Å²	18	60 Å²	60	12%	0.117	31%	0.313	C	S	.	.	H	α-helix	trans	-46.1	-39.6	167.4	-32.9	38.6	0	0	0	114.5	I875 L894 A905	I875-P901 HydrophobicContact CB-CB 4.06Å; I875-P901 HydrophobicContact CD1-CB 4.4Å; I875-P901 HydrophobicContact CG2-CB 3.69Å; I875-P901 HydrophobicContact CG2-CG 3.96Å; L894-P901 HydrophobicContact CD2-CG 4.38Å; P901-A905 PolarHBondContact O-N 2.83Å
902	A	91.1	Very high	90.2	Very high	52 Å²	52	65 Å²	65	43%	0.43	34%	0.34	S	S	.	.	H	α-helix	trans	-74.4	-32.1	177.8	0	0	0	0	0	112.9	P872 S900 N906	P872-A902 HydrophobicContact CB-CB 4.46Å; S900-A902 PolarHBondContact O-N 2.89Å; S900-A902 VanDerWaalsContact O-N 3.14Å; S900-A902 PolarHBondContact OG-N 2.77Å; A902-N906 VanDerWaalsContact O-CB 3.31Å; A902-N906 WeakPolarHBondContact O-CB 3.01Å; A902-N906 PolarHBondContact O-N 3.21Å
903	E	91.8	Very high	90.3	Very high	109 Å²	109	65.5 Å²	65.5	51%	0.509	34%	0.339	S	S	.	.	H	α-helix	trans	-73.1	-38.8	175.9	-69.4	170.9	146.4	0	0	111.4	V899 S900 N906 L907	V899-E903 HydrophobicContact CG1-CB 3.94Å; S900-E903 VanDerWaalsContact CB-OE2 3.22Å; S900-E903 WeakPolarHBondContact CB-OE2 3.49Å; S900-E903 PolarHBondContact N-OE2 3.4Å; S900-E903 WeakPolarHBondContact O-CA 3.41Å; S900-E903 WeakPolarHBondContact O-CB 2.9Å; S900-E903 PolarHBondContact O-N 3.25Å; E903-N906 PolarHBondContact O-N 3.08Å; E903-L907 WeakPolarHBondContact O-CB 3.19Å; E903-L907 PolarHBondContact O-N 3.36Å
904	M	90.6	Very high	90.3	Very high	36 Å²	36	62.6 Å²	62.6	18%	0.177	33%	0.331	C	S	.	.	H	α-helix	trans	-59.5	-46.2	172.6	-178.3	58.8	-179.8	0	0	111	F870 L894 V899 S900 L907 M908	F870-M904 HydrophobicContact CD1-CE 4.12Å; F870-M904 HydrophobicContact CD1-CG 4.42Å; F870-M904 HydrophobicContact CE1-CE 3.75Å; L894-M904 HydrophobicContact CD1-CB 4.4Å; L894-M904 HydrophobicContact CD2-CB 3.93Å; L894-M904 HydrophobicContact CD2-CG 4.21Å; V899-M904 HydrophobicContact CG1-CB 4.04Å; S900-M904 PolarHBondContact O-N 3.44Å; M904-L907 PolarHBondContact O-N 3.39Å; M904-M908 HydrophobicContact CE-CE 3.89Å; M904-M908 HydrophobicContact CE-CG 4.22Å; M904-M908 HydrophobicContact CE-SD 4.38Å; M904-M908 WeakPolarHBondContact O-CG 3.46Å; M904-M908 PolarHBondContact O-N 2.91Å; M904-M908 HydrophobicContact SD-CE 4.04Å
905	A	90.4	Very high	90.4	Very high	4 Å²	4	67.7 Å²	67.7	3%	0.033	35%	0.349	C	S	.	.	H	α-helix	trans	-57.7	-50	173.5	0	0	0	0	0	112.1	F870 P872 P901 L907 M908 L909	F870-A905 WeakPolarHBondContact O-CB 3.48Å; P872-A905 HydrophobicContact CG-CB 3.69Å; P901-A905 PolarHBondContact O-N 2.83Å; A905-L907 PolarHBondContact O-N 3.4Å; A905-M908 PolarHBondContact O-N 3.22Å; A905-L909 WeakPolarHBondContact O-CB 3.46Å; A905-L909 WeakPolarHBondContact O-CG 3.42Å; A905-L909 PolarHBondContact O-N 3.4Å
906	N	91.4	Very high	90.6	Very high	90 Å²	90	66.2 Å²	66.2	48%	0.481	34%	0.344	S	S	.	.	H	α-helix	trans	-61.3	-44.7	179.2	-169.9	7.5	0	0	0	111.8	A902 E903 M908 L909 Q910	A902-N906 VanDerWaalsContact O-CB 3.31Å; A902-N906 WeakPolarHBondContact O-CB 3.01Å; A902-N906 PolarHBondContact O-N 3.21Å; E903-N906 PolarHBondContact O-N 3.08Å; N906-M908 VanDerWaalsContact C-N 3.31Å; N906-M908 PolarHBondContact O-N 3.15Å; N906-L909 PolarHBondContact O-N 2.97Å; N906-Q910 WeakPolarHBondContact O-CB 3.22Å; N906-Q910 PolarHBondContact O-N 3.28Å; N906-Q910 WeakPolarHBondContact OD1-CB 3.49Å
907	L	91.4	Very high	90.7	Very high	30 Å²	30	66 Å²	66	16%	0.157	35%	0.345	C	S	.	.	H	α-helix	trans	-66.5	-29.8	179.6	-167	155.9	0	0	0	112.6	E903 M904 A905 R915 A918	E903-L907 WeakPolarHBondContact O-CB 3.19Å; E903-L907 PolarHBondContact O-N 3.36Å; M904-L907 PolarHBondContact O-N 3.39Å; A905-L907 PolarHBondContact O-N 3.4Å; L907-R915 HydrophobicContact CD2-CB 3.97Å; L907-R915 HydrophobicContact CD2-CG 3.92Å; L907-R915 HydrophobicContact CG-CB 4.07Å; L907-R915 HydrophobicContact CG-CG 4.42Å; L907-A918 HydrophobicContact CD1-CB 3.6Å
908	M	89	Confident	90.8	Very high	63 Å²	63	65.4 Å²	65.4	31%	0.31	35%	0.348	S	S	.	.	H	α-helix	trans	-74.2	-44.1	170.5	-70.1	-54.6	113.9	0	0	112.7	F870 M904 A905 N906	F870-M908 HydrophobicContact CD1-CG 4.19Å; F870-M908 HydrophobicContact CD2-CB 4.12Å; F870-M908 HydrophobicContact CD2-CG 3.86Å; F870-M908 HydrophobicContact CE1-CG 4.29Å; F870-M908 HydrophobicContact CE2-CG 3.97Å; F870-M908 HydrophobicContact CE2-SD 4.46Å; F870-M908 HydrophobicContact CG-CB 4.4Å; F870-M908 HydrophobicContact CG-CG 3.97Å; F870-M908 HydrophobicContact CZ-CG 4.18Å; F870-M908 HydrophobicContact CZ-SD 4.45Å; M904-M908 HydrophobicContact CE-CE 3.89Å; M904-M908 HydrophobicContact CE-CG 4.22Å; M904-M908 HydrophobicContact CE-SD 4.38Å; M904-M908 WeakPolarHBondContact O-CG 3.46Å; M904-M908 PolarHBondContact O-N 2.91Å; M904-M908 HydrophobicContact SD-CE 4.04Å; A905-M908 PolarHBondContact O-N 3.22Å; N906-M908 VanDerWaalsContact C-N 3.31Å; N906-M908 PolarHBondContact O-N 3.15Å
909	L	87.8	Confident	91	Very high	94 Å²	94	66.6 Å²	66.6	49%	0.492	35%	0.353	S	S	.	.	H	α-helix	trans	-86.3	-38.1	-170.7	-63.8	177.1	0	0	0	114.2	K864 A905 N906	K864-L909 HydrophobicContact CB-CD2 4.24Å; K864-L909 VanDerWaalsContact O-CD2 3.26Å; K864-L909 WeakPolarHBondContact O-CD2 3.2Å; A905-L909 WeakPolarHBondContact O-CB 3.46Å; A905-L909 WeakPolarHBondContact O-CG 3.42Å; A905-L909 PolarHBondContact O-N 3.4Å; N906-L909 PolarHBondContact O-N 2.97Å
910	Q	87.7	Confident	91	Very high	141 Å²	141	66.2 Å²	66.2	66%	0.659	35%	0.348	S	S	*	.	S	Bend	trans	-80.2	-18.7	-179.7	-165.4	72.5	-26	0	0	112.6	N906 A914	N906-Q910 WeakPolarHBondContact O-CB 3.22Å; N906-Q910 PolarHBondContact O-N 3.28Å; N906-Q910 WeakPolarHBondContact OD1-CB 3.49Å; Q910-A914 HydrophobicContact CB-CB 4.05Å; Q910-A914 HydrophobicContact CG-CB 4.13Å
911	G	89	Confident	91	Very high	22 Å²	22	68.1 Å²	68.1	23%	0.227	35%	0.354	C	S	.	.			trans	82.8	-154.3	169.7	0	0	0	0	0	115.7	L913 A914 R915	G911-L913 PolarHBondContact O-N 3.01Å; G911-A914 PolarHBondContact O-N 3.18Å; G911-R915 PolarHBondContact O-N 2.84Å
912	L	92.4	Very high	91.1	Very high	129 Å²	129	70.1 Å²	70.1	68%	0.675	37%	0.369	S	S	*	.	H	α-helix	trans	-63.5	-32.4	-159.4	-174.2	60.4	0	0	0	114.7	R915 W916	L912-R915 PolarHBondContact O-N 3.43Å; L912-W916 PolarHBondContact O-N 3.03Å
913	L	90.8	Very high	91.1	Very high	60 Å²	60	72.3 Å²	72.3	31%	0.314	37%	0.372	S	S	.	.	H	α-helix	trans	-66.9	-43.4	179.5	-177.2	62.2	0	0	0	111.6	G911 R915 W916 L917 A1048 A1049 C1052	G911-L913 PolarHBondContact O-N 3.01Å; L913-R915 VanDerWaalsContact C-N 3.3Å; L913-R915 PolarHBondContact O-N 3.08Å; L913-W916 PolarHBondContact O-N 3.3Å; L913-L917 HydrophobicContact CG-CD1 4.45Å; L913-L917 WeakPolarHBondContact O-CG 3.35Å; L913-L917 PolarHBondContact O-N 3.44Å; L913-A1048 HydrophobicContact CD2-CB 4.33Å; L913-A1049 HydrophobicContact CD1-CB 4.38Å; L913-A1049 HydrophobicContact CD2-CB 4.36Å; L913-C1052 HydrophobicContact CD1-CB 4.36Å
914	A	91.4	Very high	91	Very high	24 Å²	24	70.9 Å²	70.9	20%	0.198	37%	0.365	C	S	.	.	H	α-helix	trans	-61.5	-41.5	174.9	0	0	0	0	0	111.1	Q910 G911 W916 L917 A918	Q910-A914 HydrophobicContact CB-CB 4.05Å; Q910-A914 HydrophobicContact CG-CB 4.13Å; G911-A914 PolarHBondContact O-N 3.18Å; A914-W916 PolarHBondContact O-N 3.47Å; A914-L917 PolarHBondContact O-N 3.33Å; A914-A918 WeakPolarHBondContact O-CB 3.42Å; A914-A918 PolarHBondContact O-N 3.22Å
915	R	92.8	Very high	91.1	Very high	116 Å²	116	70.2 Å²	70.2	44%	0.438	37%	0.365	S	S	.	.	H	α-helix	trans	-63.2	-38.2	175	-172.5	175.3	-54.4	171.5	5.4	113.4	L907 G911 L912 L913 L919	L907-R915 HydrophobicContact CD2-CB 3.97Å; L907-R915 HydrophobicContact CD2-CG 3.92Å; L907-R915 HydrophobicContact CG-CB 4.07Å; L907-R915 HydrophobicContact CG-CG 4.42Å; G911-R915 PolarHBondContact O-N 2.84Å; L912-R915 PolarHBondContact O-N 3.43Å; L913-R915 VanDerWaalsContact C-N 3.3Å; L913-R915 PolarHBondContact O-N 3.08Å; R915-L919 WeakPolarHBondContact O-CB 3.42Å; R915-L919 PolarHBondContact O-N 3.26Å
916	W	93	Very high	91.1	Very high	127 Å²	127	71.8 Å²	71.8	48%	0.481	38%	0.376	S	S	.	.	H	α-helix	trans	-68.5	-42.5	176.7	-174.6	-77.9	0	0	0	111.8	L912 L913 A914 L919 F920 C1052 G1056	L912-W916 PolarHBondContact O-N 3.03Å; L913-W916 PolarHBondContact O-N 3.3Å; A914-W916 PolarHBondContact O-N 3.47Å; W916-L919 PolarHBondContact O-N 3.43Å; W916-F920 PolarHBondContact O-N 3.16Å; W916-C1052 PolarHBondContact NE1-SG 3.47Å; W916-G1056 PolarHBondContact NE1-O 3.01Å
917	L	91.8	Very high	91.2	Very high	55 Å²	55	72 Å²	72	29%	0.288	37%	0.37	S	S	.	.	H	α-helix	trans	-65.4	-41.3	175.4	-64.3	174.7	0	0	0	111.4	L913 A914 L919 F920 L921 P1058	L913-L917 HydrophobicContact CG-CD1 4.45Å; L913-L917 WeakPolarHBondContact O-CG 3.35Å; L913-L917 PolarHBondContact O-N 3.44Å; A914-L917 PolarHBondContact O-N 3.33Å; L917-L919 VanDerWaalsContact C-N 3.33Å; L917-L919 PolarHBondContact O-N 3.06Å; L917-F920 PolarHBondContact O-N 3.14Å; L917-L921 WeakPolarHBondContact O-CG 3.27Å; L917-L921 PolarHBondContact O-N 2.97Å; L917-P1058 HydrophobicContact CD2-CG 3.97Å
918	A	92.1	Very high	91.2	Very high	38 Å²	38	79.6 Å²	79.6	31%	0.314	40%	0.397	S	S	.	.	H	α-helix	trans	-60.8	-39.7	172.5	0	0	0	0	0	112.4	L907 A914 L921 S922	L907-A918 HydrophobicContact CD1-CB 3.6Å; A914-A918 WeakPolarHBondContact O-CB 3.42Å; A914-A918 PolarHBondContact O-N 3.22Å; A918-L921 PolarHBondContact O-N 2.93Å; A918-S922 WeakPolarHBondContact O-CB 3.24Å; A918-S922 PolarHBondContact O-N 3.47Å
919	L	92.3	Very high	91.3	Very high	97 Å²	97	77.2 Å²	77.2	51%	0.508	39%	0.385	S	S	.	.	H	α-helix	trans	-64.5	-43	173.3	178.3	61.7	0	0	0	112	R915 W916 L917 L921 S922 L923	R915-L919 WeakPolarHBondContact O-CB 3.42Å; R915-L919 PolarHBondContact O-N 3.26Å; W916-L919 PolarHBondContact O-N 3.43Å; L917-L919 VanDerWaalsContact C-N 3.33Å; L917-L919 PolarHBondContact O-N 3.06Å; L919-L921 PolarHBondContact O-N 3.34Å; L919-S922 WeakPolarHBondContact O-CB 3.31Å; L919-S922 PolarHBondContact O-N 3.19Å; L919-L923 WeakPolarHBondContact O-CG 3.1Å; L919-L923 PolarHBondContact O-N 3.36Å
920	F	91.5	Very high	91.5	Very high	36 Å²	36	73.2 Å²	73.2	16%	0.158	36%	0.364	C	S	.	.	H	α-helix	trans	-62.3	-42.1	177	178.2	-111.2	0	0	0	112.2	W916 L917 L923 K924 A1057 E1059 L1060	W916-F920 PolarHBondContact O-N 3.16Å; L917-F920 PolarHBondContact O-N 3.14Å; F920-L923 PolarHBondContact O-N 3.08Å; F920-K924 PolarHBondContact O-N 2.99Å; F920-A1057 HydrophobicContact CD1-CB 3.78Å; F920-A1057 HydrophobicContact CD2-CB 4.22Å; F920-A1057 HydrophobicContact CE1-CB 3.55Å; F920-A1057 HydrophobicContact CE2-CB 4.03Å; F920-A1057 HydrophobicContact CG-CB 4.1Å; F920-A1057 HydrophobicContact CZ-CB 3.69Å; F920-E1059 WeakPolarHBondContact CE1-OE2 3.45Å; F920-L1060 HydrophobicContact CE2-CD1 3.79Å; F920-L1060 HydrophobicContact CE2-CG 4.34Å; F920-L1060 HydrophobicContact CZ-CD1 3.86Å; F920-L1060 HydrophobicContact CZ-CD2 4.44Å; F920-L1060 HydrophobicContact CZ-CG 3.89Å
921	L	92	Very high	91.5	Very high	90 Å²	90	70.1 Å²	70.1	47%	0.471	35%	0.35	S	S	.	.	H	α-helix	trans	-68	-37.9	172.8	-66.3	175.3	0	0	0	111.9	L917 A918 L919 L923 K924 A925	L917-L921 WeakPolarHBondContact O-CG 3.27Å; L917-L921 PolarHBondContact O-N 2.97Å; A918-L921 PolarHBondContact O-N 2.93Å; L919-L921 PolarHBondContact O-N 3.34Å; L921-L923 VanDerWaalsContact C-N 3.33Å; L921-L923 PolarHBondContact O-N 3.05Å; L921-K924 CarbonylContact O-C 3.47Å; L921-K924 WeakPolarHBondContact O-CB 3.41Å; L921-K924 PolarHBondContact O-N 3.39Å; L921-K924 VanDerWaalsContact O-N 3.14Å; L921-A925 WeakPolarHBondContact O-CB 3.37Å; L921-A925 PolarHBondContact O-N 3.49Å
922	S	92.6	Very high	91.5	Very high	60 Å²	60	74.9 Å²	74.9	42%	0.42	37%	0.369	S	S	.	.	H	α-helix	trans	-62.5	-36	174.7	178.7	0	0	0	0	112.2	A918 L919 A925 S926	A918-S922 WeakPolarHBondContact O-CB 3.24Å; A918-S922 PolarHBondContact O-N 3.47Å; L919-S922 WeakPolarHBondContact O-CB 3.31Å; L919-S922 PolarHBondContact O-N 3.19Å; S922-A925 PolarHBondContact O-N 3.05Å; S922-S926 WeakPolarHBondContact O-CB 3.11Å; S922-S926 PolarHBondContact O-N 3.49Å; S922-S926 PolarHBondContact O-OG 3.49Å
923	L	90.7	Very high	91.3	Very high	97 Å²	97	72.9 Å²	72.9	51%	0.508	35%	0.353	S	S	.	.	H	α-helix	trans	-62.9	-43.3	171.3	-69.6	171.4	0	0	0	111.8	L919 F920 L921 A925 S926 Y927	L919-L923 WeakPolarHBondContact O-CG 3.1Å; L919-L923 PolarHBondContact O-N 3.36Å; F920-L923 PolarHBondContact O-N 3.08Å; L921-L923 VanDerWaalsContact C-N 3.33Å; L921-L923 PolarHBondContact O-N 3.05Å; L923-A925 VanDerWaalsContact C-N 3.32Å; L923-A925 PolarHBondContact O-N 2.98Å; L923-S926 PolarHBondContact O-N 3.12Å; L923-Y927 WeakPolarHBondContact O-CD2 3.29Å; L923-Y927 PolarHBondContact O-N 2.94Å
924	K	90.9	Very high	91.1	Very high	80 Å²	80	73 Å²	73	35%	0.348	36%	0.358	S	S	.	.	H	α-helix	trans	-63.2	-37.1	172.7	-65.1	-178	177.3	-173.3	0	111.8	F920 L921 R928 E1059	F920-K924 PolarHBondContact O-N 2.99Å; L921-K924 CarbonylContact O-C 3.47Å; L921-K924 WeakPolarHBondContact O-CB 3.41Å; L921-K924 PolarHBondContact O-N 3.39Å; L921-K924 VanDerWaalsContact O-N 3.14Å; K924-R928 PolarHBondContact O-N 3.05Å; K924-E1059 IonicContact NZ-OE2 2.65Å; K924-E1059 PolarHBondContact NZ-OE2 2.72Å
925	A	91.9	Very high	90.8	Very high	22 Å²	22	81.3 Å²	81.3	18%	0.182	39%	0.385	C	S	.	.	H	α-helix	trans	-69.7	-38.8	176.9	0	0	0	0	0	112.6	L921 S922 L923 Y927 R928 L929	L921-A925 WeakPolarHBondContact O-CB 3.37Å; L921-A925 PolarHBondContact O-N 3.49Å; S922-A925 PolarHBondContact O-N 3.05Å; L923-A925 VanDerWaalsContact C-N 3.32Å; L923-A925 PolarHBondContact O-N 2.98Å; A925-Y927 VanDerWaalsContact C-N 3.31Å; A925-Y927 PolarHBondContact O-N 3.41Å; A925-R928 WeakPolarHBondContact O-CB 3.46Å; A925-R928 PolarHBondContact O-N 3.09Å; A925-R928 VanDerWaalsContact O-N 3.08Å; A925-L929 WeakPolarHBondContact O-CB 3.23Å; A925-L929 PolarHBondContact O-N 3.37Å
926	S	91.8	Very high	90	Very high	37 Å²	37	78.7 Å²	78.7	26%	0.259	39%	0.388	S	S	.	.	H	α-helix	trans	-60.2	-37.5	176.9	-67.9	0	0	0	0	112.7	S922 L923 H930	S922-S926 WeakPolarHBondContact O-CB 3.11Å; S922-S926 PolarHBondContact O-N 3.49Å; S922-S926 PolarHBondContact O-OG 3.49Å; L923-S926 PolarHBondContact O-N 3.12Å; S926-H930 WeakPolarHBondContact O-CB 3.34Å; S926-H930 PolarHBondContact O-N 2.99Å
927	Y	91.8	Very high	88.8	Confident	93 Å²	93	80.8 Å²	80.8	37%	0.365	40%	0.403	S	S	.	.	H	α-helix	trans	-62.6	-47	170.7	-83	-72.4	0	0	0	112.1	L923 A925 L929 H930 Q931 F962 P963	L923-Y927 WeakPolarHBondContact O-CD2 3.29Å; L923-Y927 PolarHBondContact O-N 2.94Å; A925-Y927 VanDerWaalsContact C-N 3.31Å; A925-Y927 PolarHBondContact O-N 3.41Å; Y927-L929 VanDerWaalsContact C-N 3.34Å; Y927-L929 PolarHBondContact O-N 2.83Å; Y927-H930 WeakPolarHBondContact O-CB 3.42Å; Y927-H930 PolarHBondContact O-N 3.09Å; Y927-Q931 WeakPolarHBondContact O-CG 3.37Å; Y927-Q931 PolarHBondContact O-N 2.78Å; Y927-Q931 VanDerWaalsContact O-N 3.14Å; Y927-F962 WeakPolarHBondContact OH-CE1 3.39Å; Y927-P963 HydrophobicContact CD1-CB 3.96Å; Y927-P963 HydrophobicContact CD1-CG 4.17Å; Y927-P963 HydrophobicContact CE1-CB 4.21Å; Y927-P963 HydrophobicContact CE1-CG 4.41Å
928	R	92.2	Very high	87.9	Confident	190 Å²	190	84.2 Å²	84.2	72%	0.717	43%	0.429	S	S	*	.	H	α-helix	trans	-62.9	-40.8	178.9	-64.4	171.6	-178.3	171.9	-1.6	111.8	K924 A925 L932	K924-R928 PolarHBondContact O-N 3.05Å; A925-R928 WeakPolarHBondContact O-CB 3.46Å; A925-R928 PolarHBondContact O-N 3.09Å; A925-R928 VanDerWaalsContact O-N 3.08Å; R928-L932 WeakPolarHBondContact O-CB 3.31Å; R928-L932 PolarHBondContact O-N 2.96Å
929	L	91.2	Very high	87	Confident	14 Å²	14	85.3 Å²	85.3	7%	0.073	43%	0.429	C	S	.	.	H	α-helix	trans	-66.3	-38.6	176.7	-174.9	62	0	0	0	111.9	A925 Y927 L932 R933 K950 L953 V956	A925-L929 WeakPolarHBondContact O-CB 3.23Å; A925-L929 PolarHBondContact O-N 3.37Å; Y927-L929 VanDerWaalsContact C-N 3.34Å; Y927-L929 PolarHBondContact O-N 2.83Å; L929-L932 PolarHBondContact O-N 2.81Å; L929-R933 HydrophobicContact CD1-CG 4.15Å; L929-R933 WeakPolarHBondContact O-CB 3.27Å; L929-R933 WeakPolarHBondContact O-CG 3.29Å; L929-R933 PolarHBondContact O-N 3.38Å; L929-K950 HydrophobicContact CD1-CB 3.92Å; L929-K950 HydrophobicContact CD1-CD 4.29Å; L929-K950 HydrophobicContact CD2-CB 4.25Å; L929-L953 HydrophobicContact CD2-CB 3.85Å; L929-L953 HydrophobicContact CD2-CD1 4.23Å; L929-V956 HydrophobicContact CD2-CG2 4.33Å
930	H	91.1	Very high	86.2	Confident	9 Å²	9	82.9 Å²	82.9	4%	0.042	43%	0.428	C	S	.	.	H	α-helix	trans	-59.1	-55	174.2	-177.2	56.5	0	0	0	111.1	S926 Y927 L932 R933 S934 V956 P963 N964	S926-H930 WeakPolarHBondContact O-CB 3.34Å; S926-H930 PolarHBondContact O-N 2.99Å; Y927-H930 WeakPolarHBondContact O-CB 3.42Å; Y927-H930 PolarHBondContact O-N 3.09Å; H930-L932 VanDerWaalsContact C-N 3.29Å; H930-L932 PolarHBondContact O-N 3.41Å; H930-R933 PolarHBondContact O-N 3.39Å; H930-R933 VanDerWaalsContact O-N 3.08Å; H930-S934 PolarHBondContact CE1-OG 3.07Å; H930-S934 VanDerWaalsContact CE1-OG 3.26Å; H930-S934 WeakPolarHBondContact O-CB 3.33Å; H930-S934 PolarHBondContact O-N 3.46Å; H930-S934 PolarHBondContact O-OG 2.77Å; H930-V956 HydrophobicContact CB-CG1 3.47Å; H930-V956 VanDerWaalsContact CB-CG1 3.47Å; H930-P963 HydrophobicContact CB-CB 3.55Å; H930-P963 HydrophobicContact CB-CG 4.18Å; H930-P963 WeakPolarHBondContact CD2-CB 3.21Å; H930-P963 VanDerWaalsContact CG-CB 3.44Å; H930-N964 WeakPolarHBondContact NE2-CA 3.38Å; H930-N964 PolarHBondContact NE2-N 3.14Å
931	Q	89.1	Confident	85.1	Confident	76 Å²	76	87 Å²	87	36%	0.355	46%	0.456	S	S	.	.	H	α-helix	trans	-59.2	-40.6	-179.8	-57.1	-53.1	3.6	0	0	112	Y927 R933 W935	Y927-Q931 WeakPolarHBondContact O-CG 3.37Å; Y927-Q931 PolarHBondContact O-N 2.78Å; Y927-Q931 VanDerWaalsContact O-N 3.14Å; Q931-R933 VanDerWaalsContact C-N 3.34Å; Q931-R933 PolarHBondContact O-N 3Å; Q931-W935 HydrophobicContact CB-CE3 4.28Å; Q931-W935 HydrophobicContact CB-CZ3 3.86Å; Q931-W935 HydrophobicContact CG-CZ3 4.28Å; Q931-W935 VanDerWaalsContact O-CE3 3.22Å
932	L	89.3	Confident	84.1	Confident	122 Å²	122	87.6 Å²	87.6	64%	0.639	47%	0.468	S	S	*	.	H	α-helix	trans	-62.8	-37.1	176.9	-177.7	62.1	0	0	0	113	R928 L929 H930	R928-L932 WeakPolarHBondContact O-CB 3.31Å; R928-L932 PolarHBondContact O-N 2.96Å; L929-L932 PolarHBondContact O-N 2.81Å; H930-L932 VanDerWaalsContact C-N 3.29Å; H930-L932 PolarHBondContact O-N 3.41Å
933	R	88	Confident	83.1	Confident	87 Å²	87	87.4 Å²	87.4	33%	0.328	46%	0.46	S	S	.	.	H	α-helix	trans	-87.3	-28.1	-177.9	-64.8	-177.7	78.9	-170	-8.6	113.2	L929 H930 Q931 W935 A936 D957	L929-R933 HydrophobicContact CD1-CG 4.15Å; L929-R933 WeakPolarHBondContact O-CB 3.27Å; L929-R933 WeakPolarHBondContact O-CG 3.29Å; L929-R933 PolarHBondContact O-N 3.38Å; H930-R933 PolarHBondContact O-N 3.39Å; H930-R933 VanDerWaalsContact O-N 3.08Å; Q931-R933 VanDerWaalsContact C-N 3.34Å; Q931-R933 PolarHBondContact O-N 3Å; R933-W935 VanDerWaalsContact C-N 3.27Å; R933-W935 PolarHBondContact O-N 2.8Å; R933-A936 PolarHBondContact O-N 2.81Å; R933-D957 VanDerWaalsContact CZ-CG 3.41Å; R933-D957 IonicContact CZ-OD1 2.79Å; R933-D957 IonicContact CZ-OD2 3.46Å; R933-D957 IonicContact NE-OD1 2.74Å; R933-D957 IonicContact NH1-OD1 2.73Å; R933-D957 PolarHBondContact NH1-OD1 3.22Å; R933-D957 IonicContact NH1-OD2 2.67Å; R933-D957 PolarHBondContact NH1-OD2 2.85Å; R933-D957 IonicContact NH2-OD1 2.65Å; R933-D957 PolarHBondContact NH2-OD1 2.71Å; R933-D957 IonicContact NH2-OD2 3.48Å; R933-D957 PolarHBondContact NH2-OD2 2.99Å
934	S	85.9	Confident	82.4	Confident	62 Å²	62	89.4 Å²	89.4	43%	0.434	47%	0.467	S	S	.	.	H	α-helix	trans	-69.8	-19.7	176.3	-72.8	0	0	0	0	114.3	H930	H930-S934 PolarHBondContact CE1-OG 3.07Å; H930-S934 VanDerWaalsContact CE1-OG 3.26Å; H930-S934 WeakPolarHBondContact O-CB 3.33Å; H930-S934 PolarHBondContact O-N 3.46Å; H930-S934 PolarHBondContact O-OG 2.77Å
935	W	84.2	Confident	81.8	Confident	199 Å²	199	89.1 Å²	89.1	75%	0.754	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	22	173.7	-64.6	-60.9	0	0	0	113	Q931 R933 E937	Q931-W935 HydrophobicContact CB-CE3 4.28Å; Q931-W935 HydrophobicContact CB-CZ3 3.86Å; Q931-W935 HydrophobicContact CG-CZ3 4.28Å; Q931-W935 VanDerWaalsContact O-CE3 3.22Å; R933-W935 VanDerWaalsContact C-N 3.27Å; R933-W935 PolarHBondContact O-N 2.8Å; W935-E937 PolarHBondContact O-N 3.22Å
936	A	77.3	Confident	81.4	Confident	62 Å²	62	96.5 Å²	96.5	51%	0.512	50%	0.5	S	S	.	.			trans	-75.5	115	174.1	0	0	0	0	0	110.6	R933	R933-A936 PolarHBondContact O-N 2.81Å
937	E	66.9	Low	81	Confident	170 Å²	170	99.8 Å²	99.8	79%	0.794	51%	0.514	S	S	*	.			trans	-66.6	159.3	163.2	-75.4	-165.7	175.7	0	0	111	W935 D939	W935-E937 PolarHBondContact O-N 3.22Å; E937-D939 PolarHBondContact O-N 2.79Å
938	P	73.3	Confident	80.6	Confident	127 Å²	127	100.4 Å²	100.4	83%	0.825	52%	0.515	S	S	*	.			trans	-59.4	110.2	177.4	23.7	-34.7	0	0	0	111.5	G940	P938-G940 PolarHBondContact O-N 2.9Å
939	D	74.1	Confident	80.3	Confident	61 Å²	61	95.2 Å²	95.2	33%	0.326	50%	0.502	S	S	.	.			trans	-52.2	125.7	177.8	-86.7	-34.2	0	0	0	111.2	E937 H943 Q944 R948	E937-D939 PolarHBondContact O-N 2.79Å; D939-H943 HydrophobicContact CB-CB 4.19Å; D939-H943 VanDerWaalsContact CG-ND1 3.32Å; D939-H943 IonicContact OD1-CG 3.08Å; D939-H943 IonicContact OD1-ND1 2.87Å; D939-H943 IonicContact OD2-CE1 2.59Å; D939-H943 IonicContact OD2-ND1 2.71Å; D939-H943 PolarHBondContact OD2-ND1 3.27Å; D939-Q944 WeakPolarHBondContact O-CG 3.22Å; D939-Q944 PolarHBondContact O-NE2 3.38Å; D939-R948 VanDerWaalsContact CG-NH1 3.3Å; D939-R948 IonicContact OD1-CZ 3.53Å; D939-R948 VanDerWaalsContact OD1-CZ 3.25Å; D939-R948 IonicContact OD1-NH1 3.35Å; D939-R948 PolarHBondContact OD1-NH1 2.94Å; D939-R948 IonicContact OD1-NH2 3.01Å; D939-R948 PolarHBondContact OD1-NH2 3.28Å; D939-R948 IonicContact OD2-CZ 3.54Å; D939-R948 IonicContact OD2-NH1 2.6Å; D939-R948 PolarHBondContact OD2-NH1 2.88Å; D939-R948 IonicContact OD2-NH2 2.74Å
940	G	74.1	Confident	80.2	Confident	47 Å²	47	97.4 Å²	97.4	49%	0.485	51%	0.511	S	S	.	.			trans	-63	163.4	-178.1	0	0	0	0	0	113.9	P938 S942 H943 Q944	P938-G940 PolarHBondContact O-N 2.9Å; G940-S942 VanDerWaalsContact C-N 3.31Å; G940-S942 PolarHBondContact O-N 2.9Å; G940-S942 VanDerWaalsContact O-N 3.16Å; G940-H943 WeakPolarHBondContact O-CA 3.23Å; G940-H943 WeakPolarHBondContact O-CB 3.46Å; G940-H943 PolarHBondContact O-N 3.37Å; G940-Q944 PolarHBondContact O-N 2.91Å
941	T	68.9	Low	79.9	Confident	122 Å²	122	99.6 Å²	99.6	75%	0.748	52%	0.523	S	S	*	.	H	α-helix	trans	-54.1	-39.3	-171.9	51.3	0	0	0	0	114.6	H943 Q944	T941-H943 PolarHBondContact O-N 2.99Å; T941-Q944 PolarHBondContact O-N 3.4Å
942	S	71.6	Confident	79.9	Confident	102 Å²	102	101.1 Å²	101.1	71%	0.713	53%	0.529	S	S	*	.	H	α-helix	trans	-67.2	-15.1	176.1	-167.8	0	0	0	0	114.1	G940 S945	G940-S942 VanDerWaalsContact C-N 3.31Å; G940-S942 PolarHBondContact O-N 2.9Å; G940-S942 VanDerWaalsContact O-N 3.16Å; S942-S945 PolarHBondContact O-OG 2.93Å; S942-S945 VanDerWaalsContact O-OG 3.06Å
943	H	71.8	Confident	80	Confident	57 Å²	57	98.2 Å²	98.2	26%	0.264	51%	0.513	S	S	.	.	H	α-helix	trans	-96.9	-29.9	176.2	-167.5	-81.5	0	0	0	112.1	D939 G940 T941 S945 Y946 R948	D939-H943 HydrophobicContact CB-CB 4.19Å; D939-H943 VanDerWaalsContact CG-ND1 3.32Å; D939-H943 IonicContact OD1-CG 3.08Å; D939-H943 IonicContact OD1-ND1 2.87Å; D939-H943 IonicContact OD2-CE1 2.59Å; D939-H943 IonicContact OD2-ND1 2.71Å; D939-H943 PolarHBondContact OD2-ND1 3.27Å; G940-H943 WeakPolarHBondContact O-CA 3.23Å; G940-H943 WeakPolarHBondContact O-CB 3.46Å; G940-H943 PolarHBondContact O-N 3.37Å; T941-H943 PolarHBondContact O-N 2.99Å; H943-S945 PolarHBondContact O-N 3.49Å; H943-Y946 PolarHBondContact O-N 3.03Å; H943-Y946 VanDerWaalsContact O-N 3.1Å; H943-Y946 VanDerWaalsContact O-O 3.07Å; H943-R948 PolarHBondContact CD2-NH2 3.15Å; H943-R948 VanDerWaalsContact CD2-NH2 3.33Å; H943-R948 PolarHBondContact CE1-NE 3.44Å; H943-R948 PolarHBondContact CE1-NH2 2.81Å; H943-R948 PolarHBondContact ND1-NH2 2.81Å; H943-R948 VanDerWaalsContact NE2-CZ 3.27Å; H943-R948 PolarHBondContact NE2-NE 3.35Å; H943-R948 PolarHBondContact NE2-NH2 3.24Å
944	Q	74.4	Confident	80	Confident	138 Å²	138	98.8 Å²	98.8	65%	0.645	52%	0.522	S	S	*	.	H	α-helix	trans	-64.2	-19	177.1	-63.9	176.7	12.8	0	0	113.5	D939 G940 T941 Y946	D939-Q944 WeakPolarHBondContact O-CG 3.22Å; D939-Q944 PolarHBondContact O-NE2 3.38Å; G940-Q944 PolarHBondContact O-N 2.91Å; T941-Q944 PolarHBondContact O-N 3.4Å; Q944-Y946 VanDerWaalsContact C-N 3.31Å
945	S	79.7	Confident	80.2	Confident	74 Å²	74	98.6 Å²	98.6	52%	0.517	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-12.8	173.9	51.3	0	0	0	0	114.5	S942 H943	S942-S945 PolarHBondContact O-OG 2.93Å; S942-S945 VanDerWaalsContact O-OG 3.06Å; H943-S945 PolarHBondContact O-N 3.49Å
946	Y	82.6	Confident	80.4	Confident	178 Å²	178	89.6 Å²	89.6	70%	0.698	50%	0.497	S	S	*	.	S	Bend	trans	-140.2	111.4	-177.1	-58.5	-70.8	0	0	0	112	H943 Q944	H943-Y946 PolarHBondContact O-N 3.03Å; H943-Y946 VanDerWaalsContact O-N 3.1Å; H943-Y946 VanDerWaalsContact O-O 3.07Å; Q944-Y946 VanDerWaalsContact C-N 3.31Å
947	L	83.8	Confident	80.9	Confident	105 Å²	105	89.9 Å²	89.9	55%	0.55	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-61.8	141.8	175.5	-78.1	71.1	0	0	0	111.4	F896 F952	F896-L947 HydrophobicContact CD1-CB 4.27Å; F896-L947 HydrophobicContact CE1-CB 3.99Å; F896-L947 HydrophobicContact CE1-CD2 4.46Å; L947-F952 HydrophobicContact CD2-CE1 4.24Å
948	R	83.9	Confident	82.2	Confident	106 Å²	106	88.3 Å²	88.3	40%	0.4	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-77.1	158.4	171.3	-81.7	166.5	-173.8	145.4	13.1	110.3	D939 H943 D951	D939-R948 VanDerWaalsContact CG-NH1 3.3Å; D939-R948 IonicContact OD1-CZ 3.53Å; D939-R948 VanDerWaalsContact OD1-CZ 3.25Å; D939-R948 IonicContact OD1-NH1 3.35Å; D939-R948 PolarHBondContact OD1-NH1 2.94Å; D939-R948 IonicContact OD1-NH2 3.01Å; D939-R948 PolarHBondContact OD1-NH2 3.28Å; D939-R948 IonicContact OD2-CZ 3.54Å; D939-R948 IonicContact OD2-NH1 2.6Å; D939-R948 PolarHBondContact OD2-NH1 2.88Å; D939-R948 IonicContact OD2-NH2 2.74Å; H943-R948 PolarHBondContact CD2-NH2 3.15Å; H943-R948 VanDerWaalsContact CD2-NH2 3.33Å; H943-R948 PolarHBondContact CE1-NE 3.44Å; H943-R948 PolarHBondContact CE1-NH2 2.81Å; H943-R948 PolarHBondContact ND1-NH2 2.81Å; H943-R948 VanDerWaalsContact NE2-CZ 3.27Å; H943-R948 PolarHBondContact NE2-NE 3.35Å; H943-R948 PolarHBondContact NE2-NH2 3.24Å; R948-D951 WeakPolarHBondContact CB-OD1 3.37Å; R948-D951 PolarHBondContact N-OD2 3.25Å; R948-D951 VanDerWaalsContact O-CG 3.29Å
949	N	85.9	Confident	82.9	Confident	81 Å²	81	86.9 Å²	86.9	43%	0.433	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	138	161.8	-175.9	15	0	0	0	108.9	F896 I897	F896-N949 PolarHBondContact O-OD1 3.37Å; I897-N949 VanDerWaalsContact C-OD1 3.29Å; I897-N949 PolarHBondContact N-OD1 3.25Å; I897-N949 PolarHBondContact O-OD1 3.23Å
950	K	88.5	Confident	83.7	Confident	61 Å²	61	90.1 Å²	90.1	27%	0.265	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	-6.1	-175.6	-57	162.9	176.5	178.8	0	116.5	F896 D898 L929 F952 L953	F896-K950 WeakPolarHBondContact O-CA 3.46Å; F896-K950 PolarHBondContact O-N 3.45Å; D898-K950 VanDerWaalsContact CB-CE 3.44Å; D898-K950 HydrophobicContact CB-CG 4.24Å; D898-K950 WeakPolarHBondContact OD1-CE 3.28Å; D898-K950 IonicContact OD1-NZ 3.18Å; D898-K950 PolarHBondContact OD1-NZ 3.36Å; D898-K950 WeakPolarHBondContact OD2-CE 3.27Å; D898-K950 IonicContact OD2-NZ 2.68Å; D898-K950 PolarHBondContact OD2-NZ 2.84Å; L929-K950 HydrophobicContact CD1-CB 3.92Å; L929-K950 HydrophobicContact CD1-CD 4.29Å; L929-K950 HydrophobicContact CD2-CB 4.25Å; K950-F952 PolarHBondContact O-N 3.03Å; K950-F952 VanDerWaalsContact O-N 3.13Å; K950-L953 HydrophobicContact CB-CD1 4.12Å; K950-L953 HydrophobicContact CG-CD1 4.07Å; K950-L953 WeakPolarHBondContact O-CB 3.23Å; K950-L953 PolarHBondContact O-N 2.87Å
951	D	85.4	Confident	84.6	Confident	55 Å²	55	88.4 Å²	88.4	29%	0.294	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-26.9	-179.5	-66.8	-3.7	0	0	0	113	R948 L953 L954	R948-D951 WeakPolarHBondContact CB-OD1 3.37Å; R948-D951 PolarHBondContact N-OD2 3.25Å; R948-D951 VanDerWaalsContact O-CG 3.29Å; D951-L953 PolarHBondContact O-N 3.43Å; D951-L954 WeakPolarHBondContact O-CD2 3.15Å
952	F	89.3	Confident	85.7	Confident	108 Å²	108	88.8 Å²	88.8	47%	0.474	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-8.9	175	-77.7	16.4	0	0	0	113.9	F893 F896 L947 K950 L954	F893-F952 HydrophobicContact CB-CE2 4.23Å; F896-F952 HydrophobicContact CB-CB 4.4Å; F896-F952 HydrophobicContact CB-CD1 4.06Å; F896-F952 HydrophobicContact CB-CD2 3.83Å; F896-F952 HydrophobicContact CB-CE1 4.28Å; F896-F952 HydrophobicContact CB-CE2 4.08Å; F896-F952 HydrophobicContact CB-CG 3.83Å; F896-F952 HydrophobicContact CB-CZ 4.3Å; F896-F952 HydrophobicContact CD2-CE1 4.47Å; F896-F952 HydrophobicContact CD2-CE2 4.01Å; F896-F952 AromaticContact CD2-CZ 3.94Å; F896-F952 HydrophobicContact CD2-CZ 3.94Å; F896-F952 HydrophobicContact CG-CD1 4.49Å; F896-F952 HydrophobicContact CG-CE1 4.25Å; F896-F952 HydrophobicContact CG-CE2 4.28Å; F896-F952 HydrophobicContact CG-CZ 4.14Å; L947-F952 HydrophobicContact CD2-CE1 4.24Å; K950-F952 PolarHBondContact O-N 3.03Å; K950-F952 VanDerWaalsContact O-N 3.13Å; F952-L954 VanDerWaalsContact C-N 3.31Å; F952-L954 PolarHBondContact O-N 3.04Å; F952-L954 VanDerWaalsContact O-N 3.08Å
953	L	90.1	Very high	86.8	Confident	60 Å²	60	84.5 Å²	84.5	31%	0.314	43%	0.429	S	S	.	.			trans	-89.3	59.7	-174.3	-59	-178	0	0	0	112.6	I897 L929 K950 D951 G955	I897-L953 HydrophobicContact CG1-CD2 4.45Å; L929-L953 HydrophobicContact CD2-CB 3.85Å; L929-L953 HydrophobicContact CD2-CD1 4.23Å; K950-L953 HydrophobicContact CB-CD1 4.12Å; K950-L953 HydrophobicContact CG-CD1 4.07Å; K950-L953 WeakPolarHBondContact O-CB 3.23Å; K950-L953 PolarHBondContact O-N 2.87Å; D951-L953 PolarHBondContact O-N 3.43Å; L953-G955 PolarHBondContact O-N 2.82Å
954	L	89.3	Confident	87.7	Confident	100 Å²	100	83.9 Å²	83.9	52%	0.524	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-65	-9.5	-176.9	-53.5	-178.5	0	0	0	115	D951 F952 V956 D957	D951-L954 WeakPolarHBondContact O-CD2 3.15Å; F952-L954 VanDerWaalsContact C-N 3.31Å; F952-L954 PolarHBondContact O-N 3.04Å; F952-L954 VanDerWaalsContact O-N 3.08Å; L954-V956 PolarHBondContact O-N 3.26Å; L954-D957 WeakPolarHBondContact CA-OD2 3.47Å; L954-D957 VanDerWaalsContact CD2-OD2 3.32Å; L954-D957 WeakPolarHBondContact CD2-OD2 3.37Å; L954-D957 PolarHBondContact O-N 2.99Å
955	G	88.3	Confident	88.5	Confident	57 Å²	57	78.3 Å²	78.3	59%	0.588	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-61.4	-14.8	-179.1	0	0	0	0	0	115.3	L953	L953-G955 PolarHBondContact O-N 2.82Å
956	V	90.4	Very high	88.9	Confident	10 Å²	10	76.8 Å²	76.8	6%	0.061	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-90.4	-23.7	176.3	176.4	0	0	0	0	112.4	L929 H930 L954 F958 S961	L929-V956 HydrophobicContact CD2-CG2 4.33Å; H930-V956 HydrophobicContact CB-CG1 3.47Å; H930-V956 VanDerWaalsContact CB-CG1 3.47Å; L954-V956 PolarHBondContact O-N 3.26Å; V956-F958 VanDerWaalsContact C-N 3.32Å; V956-F958 PolarHBondContact O-N 2.84Å; V956-S961 VanDerWaalsContact O-CB 3.29Å; V956-S961 WeakPolarHBondContact O-CB 3.45Å; V956-S961 PolarHBondContact O-OG 3.24Å
957	D	87.7	Confident	89.4	Confident	68 Å²	68	71.9 Å²	71.9	36%	0.364	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-16.2	-170.9	-54.9	-26.5	0	0	0	113.1	R933 L954	R933-D957 VanDerWaalsContact CZ-CG 3.41Å; R933-D957 IonicContact CZ-OD1 2.79Å; R933-D957 IonicContact CZ-OD2 3.46Å; R933-D957 IonicContact NE-OD1 2.74Å; R933-D957 IonicContact NH1-OD1 2.73Å; R933-D957 PolarHBondContact NH1-OD1 3.22Å; R933-D957 IonicContact NH1-OD2 2.67Å; R933-D957 PolarHBondContact NH1-OD2 2.85Å; R933-D957 IonicContact NH2-OD1 2.65Å; R933-D957 PolarHBondContact NH2-OD1 2.71Å; R933-D957 IonicContact NH2-OD2 3.48Å; R933-D957 PolarHBondContact NH2-OD2 2.99Å; L954-D957 WeakPolarHBondContact CA-OD2 3.47Å; L954-D957 VanDerWaalsContact CD2-OD2 3.32Å; L954-D957 WeakPolarHBondContact CD2-OD2 3.37Å; L954-D957 PolarHBondContact O-N 2.99Å
958	F	92.4	Very high	89.7	Confident	138 Å²	138	69.1 Å²	69.1	61%	0.605	37%	0.372	S	S	*	.	S	Bend	trans	-61.1	132.4	174.3	-68.3	-77.1	0	0	0	110.8	V956 L960 S961	V956-F958 VanDerWaalsContact C-N 3.32Å; V956-F958 PolarHBondContact O-N 2.84Å; F958-L960 PolarHBondContact O-N 3.25Å; F958-S961 VanDerWaalsContact O-CB 3.23Å; F958-S961 WeakPolarHBondContact O-CB 3.15Å; F958-S961 PolarHBondContact O-N 3.28Å; F958-S961 PolarHBondContact O-OG 3.08Å
959	P	89	Confident	89.9	Confident	97 Å²	97	69 Å²	69	63%	0.63	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-21	179.3	-29	36.2	0	0	0	115.3	N964	P959-N964 PolarHBondContact O-ND2 3.03Å
960	L	91.1	Very high	90	Very high	129 Å²	129	71.2 Å²	71.2	68%	0.675	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	18.7	174.8	-62	177.8	0	0	0	113.3	F958	F958-L960 PolarHBondContact O-N 3.25Å
961	S	93.3	Very high	90	Very high	11 Å²	11	70.6 Å²	70.6	8%	0.077	40%	0.396	C	S	.	.			trans	-63.7	145.5	172.5	76.6	0	0	0	0	110.7	V956 F958 N964 L965	V956-S961 VanDerWaalsContact O-CB 3.29Å; V956-S961 WeakPolarHBondContact O-CB 3.45Å; V956-S961 PolarHBondContact O-OG 3.24Å; F958-S961 VanDerWaalsContact O-CB 3.23Å; F958-S961 WeakPolarHBondContact O-CB 3.15Å; F958-S961 PolarHBondContact O-N 3.28Å; F958-S961 PolarHBondContact O-OG 3.08Å; S961-N964 PolarHBondContact O-N 3.28Å; S961-N964 VanDerWaalsContact O-N 3.09Å; S961-L965 WeakPolarHBondContact O-CB 3.36Å; S961-L965 PolarHBondContact O-N 3.24Å
962	F	91.9	Very high	90.1	Very high	130 Å²	130	73.6 Å²	73.6	57%	0.57	41%	0.406	S	S	*	.	H	α-helix	trans	-59.4	-37.5	-174.3	-175.6	-117.3	0	0	0	114.3	Y927 L965 C966	Y927-F962 WeakPolarHBondContact OH-CE1 3.39Å; F962-L965 HydrophobicContact CD2-CD2 4.37Å; F962-C966 WeakPolarHBondContact O-CB 3.5Å; F962-C966 PolarHBondContact O-N 3.12Å
963	P	93.2	Very high	89.8	Confident	11 Å²	11	72.4 Å²	72.4	7%	0.071	41%	0.411	C	S	.	.	H	α-helix	trans	-60.3	-45.7	170.5	-26.7	38	0	0	0	113.4	Y927 H930 C966 S967	Y927-P963 HydrophobicContact CD1-CB 3.96Å; Y927-P963 HydrophobicContact CD1-CG 4.17Å; Y927-P963 HydrophobicContact CE1-CB 4.21Å; Y927-P963 HydrophobicContact CE1-CG 4.41Å; H930-P963 HydrophobicContact CB-CB 3.55Å; H930-P963 HydrophobicContact CB-CG 4.18Å; H930-P963 WeakPolarHBondContact CD2-CB 3.21Å; H930-P963 VanDerWaalsContact CG-CB 3.44Å; P963-C966 CarbonylContact O-C 3.19Å; P963-C966 PolarHBondContact O-N 2.81Å; P963-C966 VanDerWaalsContact O-N 3.09Å; P963-S967 PolarHBondContact O-N 2.83Å
964	N	91.4	Very high	89.6	Confident	45 Å²	45	75.1 Å²	75.1	24%	0.241	43%	0.426	C	S	.	.	H	α-helix	trans	-66.5	-40.2	-179.8	-165.2	48.6	0	0	0	112.1	H930 P959 S961 C966 S967 C968	H930-N964 WeakPolarHBondContact NE2-CA 3.38Å; H930-N964 PolarHBondContact NE2-N 3.14Å; P959-N964 PolarHBondContact O-ND2 3.03Å; S961-N964 PolarHBondContact O-N 3.28Å; S961-N964 VanDerWaalsContact O-N 3.09Å; N964-C966 PolarHBondContact O-N 2.91Å; N964-S967 WeakPolarHBondContact O-CB 3.17Å; N964-S967 PolarHBondContact O-N 2.87Å; N964-S967 VanDerWaalsContact O-N 3.08Å; N964-C968 PolarHBondContact O-N 3.49Å; N964-C968 VanDerWaalsContact O-N 3.16Å
965	L	90.8	Very high	89.4	Confident	20 Å²	20	73.7 Å²	73.7	11%	0.105	42%	0.421	C	S	.	.	H	α-helix	trans	-60	-33.7	172.1	179.4	152.9	0	0	0	111.9	S961 F962 C968 K972 V975	S961-L965 WeakPolarHBondContact O-CB 3.36Å; S961-L965 PolarHBondContact O-N 3.24Å; F962-L965 HydrophobicContact CD2-CD2 4.37Å; L965-C968 VanDerWaalsContact O-O 3.07Å; L965-K972 HydrophobicContact CD2-CB 4.14Å; L965-K972 HydrophobicContact CD2-CG 3.99Å; L965-K972 WeakPolarHBondContact O-CB 3.42Å; L965-V975 HydrophobicContact CD1-CB 3.97Å; L965-V975 HydrophobicContact CD1-CG2 3.58Å
966	C	89.6	Confident	88.9	Confident	43 Å²	43	77.3 Å²	77.3	29%	0.291	42%	0.421	S	S	.	.	H	α-helix	trans	-79.5	-22.7	174.7	-78.2	0	0	0	0	113.7	F962 P963 N964	F962-C966 WeakPolarHBondContact O-CB 3.5Å; F962-C966 PolarHBondContact O-N 3.12Å; P963-C966 CarbonylContact O-C 3.19Å; P963-C966 PolarHBondContact O-N 2.81Å; P963-C966 VanDerWaalsContact O-N 3.09Å; N964-C966 PolarHBondContact O-N 2.91Å
967	S	91.3	Very high	88.6	Confident	75 Å²	75	80.9 Å²	80.9	52%	0.524	45%	0.446	S	S	.	.	H	α-helix	trans	-69.5	-42.5	172.7	-165.1	0	0	0	0	111.9	P963 N964	P963-S967 PolarHBondContact O-N 2.83Å; N964-S967 WeakPolarHBondContact O-CB 3.17Å; N964-S967 PolarHBondContact O-N 2.87Å; N964-S967 VanDerWaalsContact O-N 3.08Å
968	C	91.4	Very high	88.3	Confident	46 Å²	46	80.5 Å²	80.5	31%	0.311	45%	0.448	S	S	.	.			trans	-102.3	113.7	-179.4	-176.6	0	0	0	0	113	N964 L965 L970 L971 K972	N964-C968 PolarHBondContact O-N 3.49Å; N964-C968 VanDerWaalsContact O-N 3.16Å; L965-C968 VanDerWaalsContact O-O 3.07Å; C968-L970 PolarHBondContact O-N 3.05Å; C968-L971 HydrophobicContact CB-CB 4.14Å; C968-L971 HydrophobicContact CB-CD1 3.96Å; C968-L971 HydrophobicContact CB-CG 3.95Å; C968-L971 PolarHBondContact O-N 2.92Å; C968-K972 PolarHBondContact O-N 3.41Å
969	P	88.3	Confident	87.8	Confident	104 Å²	104	82.4 Å²	82.4	68%	0.675	46%	0.459	S	S	*	.	H	α-helix	trans	-64.3	-27.2	-178.8	26.3	-34.4	0	0	0	113.3	K972 S973	P969-K972 PolarHBondContact O-N 2.97Å; P969-S973 PolarHBondContact O-N 2.97Å
970	L	87.4	Confident	87.2	Confident	128 Å²	128	81 Å²	81	67%	0.67	45%	0.45	S	S	*	.	H	α-helix	trans	-64.1	-50.7	174.2	-170.1	85.7	0	0	0	110.9	C968 K972 S973 L974	C968-L970 PolarHBondContact O-N 3.05Å; L970-K972 VanDerWaalsContact C-N 3.27Å; L970-K972 PolarHBondContact O-N 3.36Å; L970-S973 PolarHBondContact O-N 3.04Å; L970-S973 PolarHBondContact O-OG 2.59Å; L970-L974 PolarHBondContact O-N 2.86Å
971	L	87.9	Confident	86.3	Confident	47 Å²	47	80.3 Å²	80.3	25%	0.246	44%	0.442	C	S	.	.	H	α-helix	trans	-63.4	-35.6	177.8	-63.3	-178.3	0	0	0	111.5	C968 S973 L974 V975	C968-L971 HydrophobicContact CB-CB 4.14Å; C968-L971 HydrophobicContact CB-CD1 3.96Å; C968-L971 HydrophobicContact CB-CG 3.95Å; C968-L971 PolarHBondContact O-N 2.92Å; L971-S973 VanDerWaalsContact C-N 3.33Å; L971-S973 PolarHBondContact O-N 2.7Å; L971-L974 WeakPolarHBondContact O-CB 3.34Å; L971-L974 PolarHBondContact O-N 3.32Å; L971-V975 PolarHBondContact O-N 3.28Å
972	K	87.7	Confident	85.2	Confident	118 Å²	118	82.1 Å²	82.1	51%	0.513	46%	0.458	S	S	.	.	H	α-helix	trans	-62.3	-38	171.7	-164	169.6	-177	172	0	113	L965 C968 P969 L970	L965-K972 HydrophobicContact CD2-CB 4.14Å; L965-K972 HydrophobicContact CD2-CG 3.99Å; L965-K972 WeakPolarHBondContact O-CB 3.42Å; C968-K972 PolarHBondContact O-N 3.41Å; P969-K972 PolarHBondContact O-N 2.97Å; L970-K972 VanDerWaalsContact C-N 3.27Å; L970-K972 PolarHBondContact O-N 3.36Å
973	S	83.7	Confident	84.1	Confident	83 Å²	83	77.9 Å²	77.9	58%	0.58	44%	0.443	S	S	*	.	H	α-helix	trans	-74.9	-28.5	177.7	74.4	0	0	0	0	113.3	P969 L970 L971 V975	P969-S973 PolarHBondContact O-N 2.97Å; L970-S973 PolarHBondContact O-N 3.04Å; L970-S973 PolarHBondContact O-OG 2.59Å; L971-S973 VanDerWaalsContact C-N 3.33Å; L971-S973 PolarHBondContact O-N 2.7Å; S973-V975 VanDerWaalsContact C-N 3.33Å; S973-V975 PolarHBondContact O-N 2.68Å
974	L	84.9	Confident	82.8	Confident	118 Å²	118	78.5 Å²	78.5	62%	0.618	45%	0.447	S	S	*	.	H	α-helix	trans	-64.8	-35.5	176	-174.3	64.8	0	0	0	112	L970 L971 F976	L970-L974 PolarHBondContact O-N 2.86Å; L971-L974 WeakPolarHBondContact O-CB 3.34Å; L971-L974 PolarHBondContact O-N 3.32Å; L974-F976 PolarHBondContact O-N 3.32Å
975	V	85.1	Confident	81.5	Confident	69 Å²	69	79.6 Å²	79.6	42%	0.418	47%	0.469	S	S	.	.			trans	-93	76.7	177	-172.8	0	0	0	0	110.3	L965 L971 S973 S977	L965-V975 HydrophobicContact CD1-CB 3.97Å; L965-V975 HydrophobicContact CD1-CG2 3.58Å; L971-V975 PolarHBondContact O-N 3.28Å; S973-V975 VanDerWaalsContact C-N 3.33Å; S973-V975 PolarHBondContact O-N 2.68Å; V975-S977 VanDerWaalsContact C-N 3.27Å; V975-S977 PolarHBondContact O-N 2.95Å
976	F	78.7	Confident	79.8	Confident	134 Å²	134	86.8 Å²	86.8	59%	0.588	50%	0.496	S	S	*	.			trans	-72.7	-12.4	-179.5	62.3	-92.9	0	0	0	114.7	L974 V983 L1006	L974-F976 PolarHBondContact O-N 3.32Å; F976-V983 HydrophobicContact CD2-CG2 3.99Å; F976-V983 HydrophobicContact CE2-CG2 4.49Å; F976-L1006 HydrophobicContact CB-CD2 3.85Å
977	S	83.1	Confident	78.1	Confident	84 Å²	84	88 Å²	88	59%	0.587	50%	0.504	S	S	*	.			trans	-77	132.5	-174.7	51.9	0	0	0	0	112.6	V975	V975-S977 VanDerWaalsContact C-N 3.27Å; V975-S977 PolarHBondContact O-N 2.95Å
978	S	81.4	Confident	76.2	Confident	60 Å²	60	89.8 Å²	89.8	42%	0.42	51%	0.508	S	S	.	.			trans	-138.2	146.7	178.3	100.8	0	0	0	0	111.6	C980 K981	S978-C980 PolarHBondContact OG-N 2.92Å; S978-K981 VanDerWaalsContact O-O 3.05Å; S978-K981 PolarHBondContact OG-N 3.48Å; S978-K981 PolarHBondContact OG-O 2.8Å
979	H	82.1	Confident	74.5	Confident	178 Å²	178	94.7 Å²	94.7	82%	0.824	53%	0.526	S	S	*	.	S	Bend	trans	-81.4	-23.4	171.1	-172.9	-79.7	0	0	0	112.6
980	C	76.3	Confident	72.9	Confident	67 Å²	67	92.8 Å²	92.8	45%	0.453	51%	0.512	S	S	.	.	S	Bend	trans	-76.9	-30.5	-176.7	-170.5	0	0	0	0	113	S978	S978-C980 PolarHBondContact OG-N 2.92Å
981	K	73.6	Confident	71.4	Confident	116 Å²	116	90.9 Å²	90.9	50%	0.504	51%	0.506	S	S	.	.	S	Bend	trans	-135.5	131.3	178.2	-68.5	-171.2	169.7	-155.1	0	109.7	S978 E1008	S978-K981 VanDerWaalsContact O-O 3.05Å; S978-K981 PolarHBondContact OG-N 3.48Å; S978-K981 PolarHBondContact OG-O 2.8Å; K981-E1008 WeakPolarHBondContact CD-OE1 3.48Å; K981-E1008 VanDerWaalsContact CE-OE1 3.28Å; K981-E1008 WeakPolarHBondContact CE-OE1 3.36Å; K981-E1008 IonicContact NZ-OE1 3.11Å; K981-E1008 PolarHBondContact NZ-OE1 3.01Å
982	A	70.1	Confident	69.9	Low	49 Å²	49	95.6 Å²	95.6	41%	0.405	53%	0.526	S	S	.	.			trans	-66.7	136.2	166.5	0	0	0	0	0	109.4	L1009	A982-L1009 HydrophobicContact CB-CB 4.44Å; A982-L1009 HydrophobicContact CB-CD1 3.5Å; A982-L1009 HydrophobicContact CB-CG 3.62Å
983	V	68.8	Low	68.4	Low	41 Å²	41	96.1 Å²	96.1	25%	0.248	53%	0.531	C	S	.	.			trans	-126.8	141	-175.4	-67.4	0	0	0	0	109.3	F976 L1006	F976-V983 HydrophobicContact CD2-CG2 3.99Å; F976-V983 HydrophobicContact CE2-CG2 4.49Å; V983-L1006 HydrophobicContact CB-CD2 4.3Å; V983-L1006 HydrophobicContact CG1-CB 4.2Å; V983-L1006 HydrophobicContact CG1-CD2 4.05Å
984	S	66.2	Low	67	Low	24 Å²	24	104.1 Å²	104.1	17%	0.168	55%	0.548	C	S	.	.			trans	-140.6	135.6	173.7	56.6	0	0	0	0	110	T1007	S984-T1007 PolarHBondContact N-O 3.28Å; S984-T1007 VanDerWaalsContact N-O 3.07Å; S984-T1007 WeakPolarHBondContact O-CB 3.5Å; S984-T1007 PolarHBondContact O-N 3.35Å; S984-T1007 VanDerWaalsContact O-N 3.14Å; S984-T1007 WeakPolarHBondContact OG-CB 3.29Å; S984-T1007 PolarHBondContact OG-O 3.22Å
985	G	62.2	Low	65.7	Low	67 Å²	67	110.7 Å²	110.7	69%	0.691	57%	0.565	S	S	*	*			trans	-98.8	115.5	176	0	0	0	0	0	109.8
986	Y	56.3	Low	64	Low	172 Å²	172	110.3 Å²	110.3	68%	0.675	57%	0.565	S	S	*	*			trans	-133.2	110.3	177	-71.3	-67.5	0	0	0	110.2
987	S	53.3	Low	63	Low	68 Å²	68	109.2 Å²	109.2	48%	0.476	58%	0.581	S	S	.	*			trans	63.9	114.7	175.2	61.8	0	0	0	0	117.6	H989	S987-H989 PolarHBondContact O-N 3.16Å
988	D	51.6	Low	61.5	Low	113 Å²	113	109.7 Å²	109.7	60%	0.604	58%	0.58	S	S	*	*			trans	-93.6	36	178.3	-60	-55.6	0	0	0	113.6	C1004	D988-C1004 PolarHBondContact OD1-SG 3.06Å
989	H	56.4	Low	59.9	Low	149 Å²	149	111 Å²	111	69%	0.69	59%	0.589	S	S	*	*			trans	-130.6	125.2	-172.9	-69.3	-22	0	0	0	113.8	S987 V991	S987-H989 PolarHBondContact O-N 3.16Å; H989-V991 PolarHBondContact O-N 3.12Å
990	V	53.8	Low	58.6	Low	63 Å²	63	105.4 Å²	105.4	38%	0.382	57%	0.57	S	S	.	*			trans	-82	108.9	174.3	-178.7	0	0	0	0	109.9	H992 L1001	V990-H992 WeakPolarHBondContact CG1-NE2 3.23Å; V990-L1001 HydrophobicContact CG1-CG 4.18Å; V990-L1001 HydrophobicContact CG2-CD2 3.87Å; V990-L1001 HydrophobicContact CG2-CG 4.23Å
991	V	57	Low	57.3	Low	89 Å²	89	107.2 Å²	107.2	54%	0.539	58%	0.575	S	S	.	*	B	Isolated β-bridge	trans	-93.5	105.2	177.4	-178	0	0	0	0	110.2	H989 Q993 S1000	H989-V991 PolarHBondContact O-N 3.12Å; V991-Q993 PolarHBondContact O-N 3.3Å; V991-S1000 PolarHBondContact O-OG 3.19Å
992	H	55.2	Low	56.2	Low	145 Å²	145	108.8 Å²	108.8	67%	0.671	58%	0.578	S	S	*	*			trans	-81.7	102.8	174.6	-71.6	-90.8	0	0	0	111.7	V990 R994	V990-H992 WeakPolarHBondContact CG1-NE2 3.23Å; H992-R994 PolarHBondContact O-N 2.99Å
993	Q	56	Low	55.1	Low	130 Å²	130	110.3 Å²	110.3	61%	0.607	59%	0.585	S	S	*	*			trans	-79.9	100.9	170.8	-71.9	-167.3	-10.1	0	0	111.6	V991 R995 S996	V991-Q993 PolarHBondContact O-N 3.3Å; Q993-R995 PolarHBondContact O-N 3.28Å; Q993-S996 PolarHBondContact O-N 3.37Å
994	R	54.9	Low	54.4	Low	250 Å²	250	113.1 Å²	113.1	94%	0.943	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	12.1	-175.5	-155.9	178.2	179.3	-177.5	0.9	116.4	H992	H992-R994 PolarHBondContact O-N 2.99Å
995	R	58.1	Low	53.8	Low	257 Å²	257	117 Å²	117	97%	0.97	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.1	10.8	-176.7	-69.5	-171.2	176.2	177.8	-1.1	114.7	Q993	Q993-R995 PolarHBondContact O-N 3.28Å
996	S	49.5	Very low	53.5	Low	60 Å²	60	119 Å²	119	42%	0.42	62%	0.618	S	S	.	*	S	Bend	trans	-120.7	151.3	173.3	-174.8	0	0	0	0	110.9	Q993 T998	Q993-S996 PolarHBondContact O-N 3.37Å; S996-T998 PolarHBondContact O-N 3.25Å; S996-T998 PolarHBondContact OG-N 3.19Å; S996-T998 PolarHBondContact OG-OG1 2.82Å
997	A	56.6	Low	53.8	Low	111 Å²	111	113.7 Å²	113.7	92%	0.917	60%	0.603	S	S	*	*	S	Bend	trans	-71.2	-0.7	171.8	0	0	0	0	0	113.5
998	T	51.1	Low	54.5	Low	94 Å²	94	114.8 Å²	114.8	58%	0.577	60%	0.601	S	S	*	*			trans	-116.7	108.2	-177.5	58.1	0	0	0	0	111.8	S996 S1000	S996-T998 PolarHBondContact O-N 3.25Å; S996-T998 PolarHBondContact OG-N 3.19Å; S996-T998 PolarHBondContact OG-OG1 2.82Å; T998-S1000 PolarHBondContact O-N 3.16Å
999	S	49.8	Very low	55.3	Low	87 Å²	87	113.1 Å²	113.1	61%	0.608	59%	0.591	S	S	*	*			trans	-77.6	111.6	164.3	41.9	0	0	0	0	110.1	L1001	S999-L1001 VanDerWaalsContact C-N 3.32Å; S999-L1001 PolarHBondContact O-N 2.7Å
1000	S	52.9	Low	55.8	Low	61 Å²	61	108.8 Å²	108.8	43%	0.427	58%	0.576	S	S	.	*	B	Isolated β-bridge	trans	-80.4	79.2	176.1	54.8	0	0	0	0	111	V991 T998 R1002	V991-S1000 PolarHBondContact O-OG 3.19Å; T998-S1000 PolarHBondContact O-N 3.16Å; S1000-R1002 PolarHBondContact O-N 2.97Å; S1000-R1002 VanDerWaalsContact O-N 3.08Å
1001	L	49.2	Very low	56.5	Low	106 Å²	106	109.4 Å²	109.4	56%	0.555	58%	0.584	S	S	*	*			trans	-77	91.8	179.5	-149	173.5	0	0	0	110.5	V990 S999 C1003	V990-L1001 HydrophobicContact CG1-CG 4.18Å; V990-L1001 HydrophobicContact CG2-CD2 3.87Å; V990-L1001 HydrophobicContact CG2-CG 4.23Å; S999-L1001 VanDerWaalsContact C-N 3.32Å; S999-L1001 PolarHBondContact O-N 2.7Å; L1001-C1003 WeakPolarHBondContact CD2-SG 3.39Å
1002	R	51.5	Low	57.1	Low	148 Å²	148	112 Å²	112	56%	0.558	59%	0.588	S	S	*	*			trans	-93.1	88.9	168.4	-68.9	-171.8	-179.7	-172.9	0.4	110.1	S1000 L1005	S1000-R1002 PolarHBondContact O-N 2.97Å; S1000-R1002 VanDerWaalsContact O-N 3.08Å; R1002-L1005 HydrophobicContact CG-CD1 4.5Å
1003	C	47.7	Very low	57.8	Low	82 Å²	82	109.5 Å²	109.5	55%	0.554	58%	0.579	S	S	*	*			trans	-64.6	174.7	151.4	-68.5	0	0	0	0	109.7	L1001 L1005	L1001-C1003 WeakPolarHBondContact CD2-SG 3.39Å; C1003-L1005 WeakPolarHBondContact O-CG 3.33Å; C1003-L1005 PolarHBondContact O-N 2.81Å
1004	C	52.9	Low	58.6	Low	100 Å²	100	105.9 Å²	105.9	68%	0.676	57%	0.567	S	S	*	*	S	Bend	trans	-60.2	71.1	-179.9	-47.3	0	0	0	0	113.1	D988 L1006	D988-C1004 PolarHBondContact OD1-SG 3.06Å; C1004-L1006 PolarHBondContact O-N 3.01Å
1005	L	52.9	Low	59.6	Low	105 Å²	105	98 Å²	98	55%	0.55	55%	0.547	S	S	.	.			trans	-81	121.6	-168.2	-82.8	161.4	0	0	0	111.3	R1002 C1003 T1007	R1002-L1005 HydrophobicContact CG-CD1 4.5Å; C1003-L1005 WeakPolarHBondContact O-CG 3.33Å; C1003-L1005 PolarHBondContact O-N 2.81Å; L1005-T1007 VanDerWaalsContact C-N 3.27Å; L1005-T1007 PolarHBondContact O-N 2.95Å; L1005-T1007 PolarHBondContact O-OG1 2.81Å
1006	L	57	Low	60.8	Low	109 Å²	109	90 Å²	90	57%	0.571	54%	0.535	S	S	*	.			trans	-57.6	86.7	168.6	-59.7	176.5	0	0	0	110	F976 V983 C1004 E1008	F976-L1006 HydrophobicContact CB-CD2 3.85Å; V983-L1006 HydrophobicContact CB-CD2 4.3Å; V983-L1006 HydrophobicContact CG1-CB 4.2Å; V983-L1006 HydrophobicContact CG1-CD2 4.05Å; C1004-L1006 PolarHBondContact O-N 3.01Å; L1006-E1008 PolarHBondContact O-N 3.06Å
1007	T	63.4	Low	62.7	Low	60 Å²	60	88.6 Å²	88.6	37%	0.368	53%	0.526	S	S	.	.			trans	-83.9	112.1	-172.6	-60.6	0	0	0	0	108.9	S984 L1005	S984-T1007 PolarHBondContact N-O 3.28Å; S984-T1007 VanDerWaalsContact N-O 3.07Å; S984-T1007 WeakPolarHBondContact O-CB 3.5Å; S984-T1007 PolarHBondContact O-N 3.35Å; S984-T1007 VanDerWaalsContact O-N 3.14Å; S984-T1007 WeakPolarHBondContact OG-CB 3.29Å; S984-T1007 PolarHBondContact OG-O 3.22Å; L1005-T1007 VanDerWaalsContact C-N 3.27Å; L1005-T1007 PolarHBondContact O-N 2.95Å; L1005-T1007 PolarHBondContact O-OG1 2.81Å
1008	E	66.7	Low	64.4	Low	92 Å²	92	86 Å²	86	43%	0.43	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-63	146.7	173.1	-66.8	-171.7	-163.1	0	0	110.7	K981 L1006	K981-E1008 WeakPolarHBondContact CD-OE1 3.48Å; K981-E1008 VanDerWaalsContact CE-OE1 3.28Å; K981-E1008 WeakPolarHBondContact CE-OE1 3.36Å; K981-E1008 IonicContact NZ-OE1 3.11Å; K981-E1008 PolarHBondContact NZ-OE1 3.01Å; L1006-E1008 PolarHBondContact O-N 3.06Å
1009	L	68.8	Low	66.3	Low	77 Å²	77	91.9 Å²	91.9	40%	0.403	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-58.4	134.7	-179.6	-73.5	175.7	0	0	0	111.4	A982 S1011 L1013 Q1085	A982-L1009 HydrophobicContact CB-CB 4.44Å; A982-L1009 HydrophobicContact CB-CD1 3.5Å; A982-L1009 HydrophobicContact CB-CG 3.62Å; L1009-S1011 PolarHBondContact O-N 3.35Å; L1009-L1013 HydrophobicContact CB-CD1 4.14Å; L1009-L1013 HydrophobicContact CD2-CD1 3.88Å; L1009-L1013 HydrophobicContact CG-CD1 4.45Å; L1009-Q1085 PolarHBondContact O-NE2 2.96Å
1010	P	67.9	Low	68.4	Low	58 Å²	58	91.6 Å²	91.6	38%	0.377	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-55.1	137.5	176.8	-29.5	35.9	0	0	0	113.5	F1012 L1013	P1010-F1012 HydrophobicContact CB-CD1 3.51Å; P1010-F1012 HydrophobicContact CB-CE1 3.24Å; P1010-F1012 HydrophobicContact CB-CG 4.26Å; P1010-F1012 HydrophobicContact CB-CZ 3.8Å; P1010-F1012 HydrophobicContact CG-CE1 3.9Å; P1010-F1012 HydrophobicContact CG-CZ 4.15Å; P1010-F1012 PolarHBondContact O-N 3Å; P1010-L1013 WeakPolarHBondContact O-CB 3.42Å; P1010-L1013 PolarHBondContact O-N 3.27Å
1011	S	67	Low	70.4	Confident	77 Å²	77	90.8 Å²	90.8	54%	0.538	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-54.2	-26.7	-176.2	55.9	0	0	0	0	114.5	L1009 L1013 C1014	L1009-S1011 PolarHBondContact O-N 3.35Å; S1011-L1013 PolarHBondContact O-N 2.87Å; S1011-C1014 PolarHBondContact O-N 2.82Å
1012	F	69.4	Low	72.6	Confident	142 Å²	142	89.3 Å²	89.3	62%	0.623	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-65.5	-22.3	176.5	68.5	-107.9	0	0	0	113.8	P1010 C1014 V1015	P1010-F1012 HydrophobicContact CB-CD1 3.51Å; P1010-F1012 HydrophobicContact CB-CE1 3.24Å; P1010-F1012 HydrophobicContact CB-CG 4.26Å; P1010-F1012 HydrophobicContact CB-CZ 3.8Å; P1010-F1012 HydrophobicContact CG-CE1 3.9Å; P1010-F1012 HydrophobicContact CG-CZ 4.15Å; P1010-F1012 PolarHBondContact O-N 3Å; F1012-C1014 VanDerWaalsContact C-N 3.33Å; F1012-V1015 VanDerWaalsContact O-CB 3.27Å; F1012-V1015 WeakPolarHBondContact O-CB 3.43Å; F1012-V1015 VanDerWaalsContact O-CG2 3.24Å; F1012-V1015 WeakPolarHBondContact O-CG2 3.49Å; F1012-V1015 PolarHBondContact O-N 2.84Å
1013	L	71.5	Confident	74.5	Confident	93 Å²	93	84.9 Å²	84.9	49%	0.487	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-70.9	-30.7	177.3	-65.2	174.7	0	0	0	111.7	L1009 P1010 S1011 V1015	L1009-L1013 HydrophobicContact CB-CD1 4.14Å; L1009-L1013 HydrophobicContact CD2-CD1 3.88Å; L1009-L1013 HydrophobicContact CG-CD1 4.45Å; P1010-L1013 WeakPolarHBondContact O-CB 3.42Å; P1010-L1013 PolarHBondContact O-N 3.27Å; S1011-L1013 PolarHBondContact O-N 2.87Å; L1013-V1015 PolarHBondContact O-N 3.27Å; L1013-V1015 VanDerWaalsContact O-N 3.15Å
1014	C	71.9	Confident	76.7	Confident	54 Å²	54	86 Å²	86	37%	0.365	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-82.8	26.9	174.5	-66.9	0	0	0	0	113.7	S1011 F1012 Q1085 N1086 R1092	S1011-C1014 PolarHBondContact O-N 2.82Å; F1012-C1014 VanDerWaalsContact C-N 3.33Å; C1014-Q1085 PolarHBondContact SG-OE1 3.47Å; C1014-N1086 PolarHBondContact O-ND2 2.91Å; C1014-R1092 PolarHBondContact O-NH2 2.78Å
1015	V	75.9	Confident	78.6	Confident	85 Å²	85	86.7 Å²	86.7	52%	0.515	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-94.1	-10.2	178	178.2	0	0	0	0	113.3	F1012 L1013 R1092	F1012-V1015 VanDerWaalsContact O-CB 3.27Å; F1012-V1015 WeakPolarHBondContact O-CB 3.43Å; F1012-V1015 VanDerWaalsContact O-CG2 3.24Å; F1012-V1015 WeakPolarHBondContact O-CG2 3.49Å; F1012-V1015 PolarHBondContact O-N 2.84Å; L1013-V1015 PolarHBondContact O-N 3.27Å; L1013-V1015 VanDerWaalsContact O-N 3.15Å; V1015-R1092 VanDerWaalsContact CA-NH2 3.33Å; V1015-R1092 PolarHBondContact O-NH1 2.97Å; V1015-R1092 PolarHBondContact O-NH2 3.48Å; V1015-R1092 VanDerWaalsContact O-NH2 3.16Å
1016	A	83.8	Confident	80.4	Confident	88 Å²	88	83.5 Å²	83.5	73%	0.727	48%	0.477	S	S	*	.			trans	-67.9	141.5	162.3	0	0	0	0	0	110.9	R1092	A1016-R1092 PolarHBondContact O-NH2 3.23Å
1017	S	87.9	Confident	82.1	Confident	31 Å²	31	81 Å²	81	22%	0.217	47%	0.468	C	S	.	.			trans	-146.7	151.5	170.6	-81.9	0	0	0	0	111.3	R1019 R1092	S1017-R1019 PolarHBondContact O-N 2.91Å; S1017-R1092 PolarHBondContact OG-NH1 3.03Å; S1017-R1092 PolarHBondContact OG-NH2 2.77Å
1018	P	92.4	Very high	83.5	Confident	57 Å²	57	83.7 Å²	83.7	37%	0.37	47%	0.472	S	S	.	.			trans	-54.4	135.7	166	-23.4	34.3	0	0	0	111.1	P832 V1020 F1090	P832-P1018 WeakPolarHBondContact CB-O 3.21Å; P1018-V1020 VanDerWaalsContact C-N 3.3Å; P1018-V1020 WeakPolarHBondContact CB-O 3.46Å; P1018-F1090 HydrophobicContact CG-CD2 4.31Å; P1018-F1090 HydrophobicContact CG-CE1 4.37Å; P1018-F1090 HydrophobicContact CG-CE2 3.99Å; P1018-F1090 HydrophobicContact CG-CZ 4.02Å
1019	R	92.3	Very high	84.8	Confident	218 Å²	218	80 Å²	80	82%	0.823	46%	0.457	S	S	*	.	S	Bend	trans	-73.5	-24.8	175.6	-72.6	-177.8	173.9	167.1	-0.5	113	F833 S1017	F833-R1019 PolarHBondContact N-O 3.44Å; S1017-R1019 PolarHBondContact O-N 2.91Å
1020	V	94.4	Very high	85.9	Confident	80 Å²	80	81.4 Å²	81.4	49%	0.485	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	149.6	179.1	-62.9	0	0	0	0	109.9	F833 I835 P1018	F833-V1020 HydrophobicContact CB-CG1 4.37Å; F833-V1020 HydrophobicContact CD1-CG1 4.35Å; F833-V1020 WeakPolarHBondContact O-CA 3.24Å; I835-V1020 HydrophobicContact CD1-CB 4.21Å; I835-V1020 HydrophobicContact CD1-CG1 4.05Å; P1018-V1020 VanDerWaalsContact C-N 3.3Å; P1018-V1020 WeakPolarHBondContact CB-O 3.46Å
1021	T	94.8	Very high	87.1	Confident	45 Å²	45	79.7 Å²	79.7	28%	0.276	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	145.1	164	57.1	0	0	0	0	108.3	P832 F833 H834 I835 F1090	P832-T1021 HydrophobicContact CB-CG2 4.13Å; P832-T1021 HydrophobicContact CG-CG2 4.47Å; F833-T1021 PolarHBondContact O-N 3.13Å; H834-T1021 CarbonylContact C-O 3.45Å; H834-T1021 WeakPolarHBondContact CA-O 3.4Å; H834-T1021 PolarHBondContact ND1-OG1 2.74Å; I835-T1021 PolarHBondContact N-O 3.05Å; T1021-F1090 HydrophobicContact CG2-CD2 4.42Å
1022	A	93.9	Very high	88.3	Confident	75 Å²	75	83.1 Å²	83.1	62%	0.62	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126	144.1	179.4	0	0	0	0	0	110.3	I835	I835-A1022 WeakPolarHBondContact O-CA 3.19Å
1023	V	93.1	Very high	89.4	Confident	54 Å²	54	78.2 Å²	78.2	33%	0.327	44%	0.437	S	S	.	.			trans	-74	138.7	169.1	-168.9	0	0	0	0	108.4	H834 I835	H834-V1023 VanDerWaalsContact NE2-CG2 3.32Å; H834-V1023 WeakPolarHBondContact NE2-CG2 3.38Å; I835-V1023 PolarHBondContact O-N 2.78Å
1024	P	92.4	Very high	90.4	Very high	105 Å²	105	74.1 Å²	74.1	68%	0.682	42%	0.416	S	S	*	.			trans	-52.9	149.9	167.3	-26.3	35.6	0	0	0	112	D1026	P1024-D1026 PolarHBondContact O-N 3.02Å
1025	L	93.1	Very high	91.4	Very high	115 Å²	115	74.6 Å²	74.6	60%	0.602	41%	0.413	S	S	*	.			trans	-76.2	111.2	177.8	-78.1	72.9	0	0	0	109.7	L837	L837-L1025 HydrophobicContact CD2-CD1 4.03Å; L837-L1025 HydrophobicContact CD2-CD2 4.12Å; L837-L1025 HydrophobicContact CD2-CG 4.18Å
1026	D	91.8	Very high	92.2	Very high	39 Å²	39	77.1 Å²	77.1	21%	0.209	42%	0.415	C	S	.	.			trans	-68.7	148.6	161.3	-65.7	-9.7	0	0	0	109.8	P839 Y840 P1024 R1038 K1042	P839-D1026 CarbonylContact C-O 3.57Å; P839-D1026 VanDerWaalsContact CA-O 3.29Å; P839-D1026 WeakPolarHBondContact CA-O 3.48Å; P839-D1026 HydrophobicContact CB-CB 4.2Å; P839-D1026 VanDerWaalsContact CB-O 3.27Å; P839-D1026 WeakPolarHBondContact CB-O 3.05Å; Y840-D1026 PolarHBondContact N-O 3.43Å; P1024-D1026 PolarHBondContact O-N 3.02Å; D1026-R1038 IonicContact OD2-CZ 3.98Å; D1026-R1038 IonicContact OD2-NE 3.22Å; D1026-R1038 PolarHBondContact OD2-NE 3.05Å; D1026-R1038 IonicContact OD2-NH2 3.61Å; D1026-R1038 PolarHBondContact OD2-NH2 3.02Å; D1026-K1042 IonicContact OD1-NZ 3.44Å; D1026-K1042 PolarHBondContact OD1-NZ 2.99Å; D1026-K1042 IonicContact OD2-NZ 3.85Å; D1026-K1042 PolarHBondContact OD2-NZ 2.89Å
1027	S	91.4	Very high	92.6	Very high	56 Å²	56	77.5 Å²	77.5	39%	0.392	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	155.6	159.2	50.4	0	0	0	0	111.1	Y840 R1038	Y840-S1027 CarbonylContact O-C 3.51Å; Y840-S1027 VanDerWaalsContact O-CA 3.31Å; Y840-S1027 WeakPolarHBondContact O-CA 3.33Å; S1027-R1038 WeakPolarHBondContact O-CD 3.26Å; S1027-R1038 PolarHBondContact O-NE 3.31Å
1028	Y	93.9	Very high	92.8	Very high	116 Å²	116	79.1 Å²	79.1	46%	0.455	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	124.6	171.6	178.2	-93.4	0	0	0	110.1	Y840 E841 I842 N1030	Y840-Y1028 PolarHBondContact O-N 3.24Å; E841-Y1028 HydrophobicContact CG-CD1 4.44Å; I842-Y1028 VanDerWaalsContact CG2-O 3.23Å; I842-Y1028 WeakPolarHBondContact CG2-O 3.47Å; I842-Y1028 PolarHBondContact N-O 3.4Å; Y1028-N1030 WeakPolarHBondContact CE1-OD1 3.28Å
1029	C	93.5	Very high	92.8	Very high	15 Å²	15	77.9 Å²	77.9	10%	0.101	40%	0.401	C	S	.	.			trans	-125.5	144.6	-177.1	-56.8	0	0	0	0	110.6	I842 Y847 D1031 A1034	I842-C1029 WeakPolarHBondContact CG2-SG 3.41Å; Y847-C1029 VanDerWaalsContact CD2-SG 3.58Å; C1029-D1031 PolarHBondContact O-N 3.34Å; C1029-A1034 HydrophobicContact CB-CB 3.48Å; C1029-A1034 VanDerWaalsContact CB-CB 3.48Å
1030	N	90.8	Very high	92.8	Very high	107 Å²	107	71.5 Å²	71.5	57%	0.572	39%	0.385	S	S	*	.	S	Bend	trans	-79.9	44.8	172.7	-62.4	-17	0	0	0	112.3	Y1028	Y1028-N1030 WeakPolarHBondContact CE1-OD1 3.28Å
1031	D	93	Very high	92.7	Very high	22 Å²	22	74 Å²	74	12%	0.118	40%	0.395	C	S	.	.			trans	-146.6	128.6	-176.3	-166.1	-45.1	0	0	0	110.6	K844 R848 C1029 S1033 A1034 E1035	K844-D1031 HydrophobicContact CD-CB 4.39Å; K844-D1031 VanDerWaalsContact CE-OD2 3.25Å; K844-D1031 WeakPolarHBondContact CE-OD2 3.26Å; K844-D1031 HydrophobicContact CG-CB 4.27Å; R848-D1031 IonicContact CZ-OD2 2.66Å; R848-D1031 VanDerWaalsContact CZ-OD2 3.26Å; R848-D1031 IonicContact NE-OD2 3.37Å; R848-D1031 PolarHBondContact NE-OD2 2.84Å; R848-D1031 IonicContact NH2-OD1 2.72Å; R848-D1031 PolarHBondContact NH2-OD1 3.33Å; R848-D1031 IonicContact NH2-OD2 2.69Å; R848-D1031 PolarHBondContact NH2-OD2 3.28Å; C1029-D1031 PolarHBondContact O-N 3.34Å; D1031-S1033 VanDerWaalsContact C-N 3.28Å; D1031-S1033 PolarHBondContact O-N 3.14Å; D1031-S1033 VanDerWaalsContact OD1-CB 3.27Å; D1031-S1033 WeakPolarHBondContact OD1-CB 3.48Å; D1031-S1033 PolarHBondContact OD1-N 2.94Å; D1031-A1034 HydrophobicContact CB-CB 4.35Å; D1031-A1034 WeakPolarHBondContact O-CB 3.45Å; D1031-A1034 PolarHBondContact O-N 2.95Å; D1031-E1035 PolarHBondContact O-N 3.3Å
1032	R	94.1	Very high	92.4	Very high	148 Å²	148	77.4 Å²	77.4	56%	0.558	41%	0.406	S	S	*	.	H	α-helix	trans	-68.2	-27.1	-176.9	-175.1	55.4	174.8	173.9	-1.1	112.9	A1034 E1035 Y1036	R1032-A1034 VanDerWaalsContact C-N 3.34Å; R1032-E1035 PolarHBondContact O-N 3.44Å; R1032-Y1036 HydrophobicContact CG-CD2 4.26Å; R1032-Y1036 HydrophobicContact CG-CE2 3.66Å; R1032-Y1036 VanDerWaalsContact NE-CE1 3.35Å; R1032-Y1036 PolarHBondContact NE-OH 2.8Å; R1032-Y1036 VanDerWaalsContact O-CD2 3.31Å; R1032-Y1036 WeakPolarHBondContact O-CD2 3.42Å; R1032-Y1036 PolarHBondContact O-N 2.88Å
1033	S	91.8	Very high	92.1	Very high	40 Å²	40	80.8 Å²	80.8	28%	0.28	41%	0.409	S	S	.	.	H	α-helix	trans	-61.7	-44.1	173.7	-165.4	0	0	0	0	111.2	D1031 E1035 Y1036 E1037	D1031-S1033 VanDerWaalsContact C-N 3.28Å; D1031-S1033 PolarHBondContact O-N 3.14Å; D1031-S1033 VanDerWaalsContact OD1-CB 3.27Å; D1031-S1033 WeakPolarHBondContact OD1-CB 3.48Å; D1031-S1033 PolarHBondContact OD1-N 2.94Å; S1033-E1035 VanDerWaalsContact C-N 3.32Å; S1033-E1035 PolarHBondContact O-N 3.24Å; S1033-Y1036 PolarHBondContact O-N 3.2Å; S1033-E1037 PolarHBondContact O-N 3.49Å
1034	A	92.1	Very high	91.6	Very high	6 Å²	6	80 Å²	80	5%	0.05	41%	0.412	C	S	.	.	H	α-helix	trans	-66.8	-34.5	178.5	0	0	0	0	0	112.1	Y847 C1029 D1031 R1032 E1037 R1038	Y847-A1034 HydrophobicContact CD1-CB 4.17Å; Y847-A1034 HydrophobicContact CD2-CB 4.2Å; Y847-A1034 HydrophobicContact CE1-CB 3.7Å; Y847-A1034 HydrophobicContact CE2-CB 3.74Å; Y847-A1034 HydrophobicContact CG-CB 4.4Å; Y847-A1034 VanDerWaalsContact CZ-CB 3.45Å; Y847-A1034 WeakPolarHBondContact OH-CA 3.39Å; C1029-A1034 HydrophobicContact CB-CB 3.48Å; C1029-A1034 VanDerWaalsContact CB-CB 3.48Å; D1031-A1034 HydrophobicContact CB-CB 4.35Å; D1031-A1034 WeakPolarHBondContact O-CB 3.45Å; D1031-A1034 PolarHBondContact O-N 2.95Å; R1032-A1034 VanDerWaalsContact C-N 3.34Å; A1034-E1037 PolarHBondContact O-N 3.04Å; A1034-R1038 WeakPolarHBondContact O-CB 3.26Å; A1034-R1038 PolarHBondContact O-N 2.98Å
1035	E	92.7	Very high	91.4	Very high	64 Å²	64	76.5 Å²	76.5	30%	0.299	40%	0.395	S	S	.	.	H	α-helix	trans	-71	-31.6	174.7	-177.1	60.3	-175.5	0	0	112.5	D1031 R1032 S1033 R1038 G1039	D1031-E1035 PolarHBondContact O-N 3.3Å; R1032-E1035 PolarHBondContact O-N 3.44Å; S1033-E1035 VanDerWaalsContact C-N 3.32Å; S1033-E1035 PolarHBondContact O-N 3.24Å; E1035-R1038 IonicContact OE1-NH1 3.71Å; E1035-R1038 PolarHBondContact OE1-NH1 2.65Å; E1035-R1038 WeakPolarHBondContact OE2-CD 3.41Å; E1035-R1038 IonicContact OE2-CZ 3.25Å; E1035-R1038 IonicContact OE2-NE 2.97Å; E1035-R1038 IonicContact OE2-NH1 2.59Å; E1035-R1038 PolarHBondContact OE2-NH1 3.48Å; E1035-G1039 PolarHBondContact O-N 3.12Å
1036	Y	94.1	Very high	91.2	Very high	139 Å²	139	74.1 Å²	74.1	55%	0.545	39%	0.388	S	S	.	.	H	α-helix	trans	-66.8	-48	169.8	-68.1	-45	0	0	0	111.9	R1032 S1033 R1038 G1039 V1040	R1032-Y1036 HydrophobicContact CG-CD2 4.26Å; R1032-Y1036 HydrophobicContact CG-CE2 3.66Å; R1032-Y1036 VanDerWaalsContact NE-CE1 3.35Å; R1032-Y1036 PolarHBondContact NE-OH 2.8Å; R1032-Y1036 VanDerWaalsContact O-CD2 3.31Å; R1032-Y1036 WeakPolarHBondContact O-CD2 3.42Å; R1032-Y1036 PolarHBondContact O-N 2.88Å; S1033-Y1036 PolarHBondContact O-N 3.2Å; Y1036-R1038 VanDerWaalsContact C-N 3.34Å; Y1036-R1038 PolarHBondContact O-N 3.43Å; Y1036-G1039 PolarHBondContact O-N 2.92Å; Y1036-V1040 WeakPolarHBondContact O-CG2 3.5Å; Y1036-V1040 PolarHBondContact O-N 2.84Å
1037	E	91.8	Very high	91.1	Very high	95 Å²	95	77.9 Å²	77.9	44%	0.444	41%	0.408	S	S	.	.	H	α-helix	trans	-58.6	-45.4	175.1	-75.7	173	-142.3	0	0	111.7	Y847 S1033 A1034 V1040 L1041	Y847-E1037 PolarHBondContact OH-OE1 3.29Å; Y847-E1037 PolarHBondContact OH-OE2 2.8Å; S1033-E1037 PolarHBondContact O-N 3.49Å; A1034-E1037 PolarHBondContact O-N 3.04Å; E1037-V1040 PolarHBondContact O-N 2.94Å; E1037-L1041 WeakPolarHBondContact O-CB 3.2Å; E1037-L1041 VanDerWaalsContact O-CG 3.23Å; E1037-L1041 WeakPolarHBondContact O-CG 3.31Å; E1037-L1041 PolarHBondContact O-N 2.94Å
1038	R	91.8	Very high	91.1	Very high	65 Å²	65	76.8 Å²	76.8	25%	0.245	40%	0.402	C	S	.	.	H	α-helix	trans	-60.8	-45.2	175.1	172.7	172.3	167.3	-84.1	-7.5	112.1	D1026 S1027 A1034 E1035 Y1036 L1041 K1042	D1026-R1038 IonicContact OD2-CZ 3.98Å; D1026-R1038 IonicContact OD2-NE 3.22Å; D1026-R1038 PolarHBondContact OD2-NE 3.05Å; D1026-R1038 IonicContact OD2-NH2 3.61Å; D1026-R1038 PolarHBondContact OD2-NH2 3.02Å; S1027-R1038 WeakPolarHBondContact O-CD 3.26Å; S1027-R1038 PolarHBondContact O-NE 3.31Å; A1034-R1038 WeakPolarHBondContact O-CB 3.26Å; A1034-R1038 PolarHBondContact O-N 2.98Å; E1035-R1038 IonicContact OE1-NH1 3.71Å; E1035-R1038 PolarHBondContact OE1-NH1 2.65Å; E1035-R1038 WeakPolarHBondContact OE2-CD 3.41Å; E1035-R1038 IonicContact OE2-CZ 3.25Å; E1035-R1038 IonicContact OE2-NE 2.97Å; E1035-R1038 IonicContact OE2-NH1 2.59Å; E1035-R1038 PolarHBondContact OE2-NH1 3.48Å; Y1036-R1038 VanDerWaalsContact C-N 3.34Å; Y1036-R1038 PolarHBondContact O-N 3.43Å; R1038-L1041 PolarHBondContact O-N 2.85Å; R1038-K1042 WeakPolarHBondContact O-CB 3.4Å; R1038-K1042 PolarHBondContact O-N 2.81Å
1039	G	91.8	Very high	90.9	Very high	32 Å²	32	72.7 Å²	72.7	33%	0.33	39%	0.392	S	S	.	.	H	α-helix	trans	-58.2	-52.7	177.1	0	0	0	0	0	111.5	E1035 Y1036 K1042 E1043	E1035-G1039 PolarHBondContact O-N 3.12Å; Y1036-G1039 PolarHBondContact O-N 2.92Å; G1039-K1042 PolarHBondContact O-N 3.43Å; G1039-E1043 WeakPolarHBondContact O-CB 3.43Å; G1039-E1043 PolarHBondContact O-N 3.06Å
1040	V	93.5	Very high	90.8	Very high	83 Å²	83	75.3 Å²	75.3	50%	0.503	40%	0.401	S	S	.	.	H	α-helix	trans	-57.8	-51.9	177.1	170.1	0	0	0	0	111.2	Y1036 E1037 K1042 E1043 G1044 G1045	Y1036-V1040 WeakPolarHBondContact O-CG2 3.5Å; Y1036-V1040 PolarHBondContact O-N 2.84Å; E1037-V1040 PolarHBondContact O-N 2.94Å; V1040-K1042 VanDerWaalsContact C-N 3.29Å; V1040-K1042 PolarHBondContact O-N 3.24Å; V1040-E1043 PolarHBondContact O-N 3.33Å; V1040-G1044 PolarHBondContact O-N 3.2Å; V1040-G1045 WeakPolarHBondContact O-CA 3.36Å; V1040-G1045 PolarHBondContact O-N 2.97Å
1041	L	91.3	Very high	90.9	Very high	133 Å²	133	72.8 Å²	72.8	70%	0.696	39%	0.386	S	S	*	.	H	α-helix	trans	-58.6	-39.7	179.2	-74	169.6	0	0	0	112.4	E1037 R1038	E1037-L1041 WeakPolarHBondContact O-CB 3.2Å; E1037-L1041 VanDerWaalsContact O-CG 3.23Å; E1037-L1041 WeakPolarHBondContact O-CG 3.31Å; E1037-L1041 PolarHBondContact O-N 2.94Å; R1038-L1041 PolarHBondContact O-N 2.85Å
1042	K	89.6	Confident	90.8	Very high	117 Å²	117	72 Å²	72	51%	0.509	38%	0.383	S	S	.	.	H	α-helix	trans	-76.3	-30.7	-178	-172	162.9	-172.8	139.9	0	113.6	D1026 R1038 G1039 V1040 G1044	D1026-K1042 IonicContact OD1-NZ 3.44Å; D1026-K1042 PolarHBondContact OD1-NZ 2.99Å; D1026-K1042 IonicContact OD2-NZ 3.85Å; D1026-K1042 PolarHBondContact OD2-NZ 2.89Å; R1038-K1042 WeakPolarHBondContact O-CB 3.4Å; R1038-K1042 PolarHBondContact O-N 2.81Å; G1039-K1042 PolarHBondContact O-N 3.43Å; V1040-K1042 VanDerWaalsContact C-N 3.29Å; V1040-K1042 PolarHBondContact O-N 3.24Å; K1042-G1044 VanDerWaalsContact C-N 3.34Å
1043	E	87.6	Confident	90.6	Very high	146 Å²	146	70.7 Å²	70.7	68%	0.682	39%	0.386	S	S	*	.	H	α-helix	trans	-79	-18.5	176.5	-150.4	-165.3	128.1	0	0	113	G1039 V1040 K1050	G1039-E1043 WeakPolarHBondContact O-CB 3.43Å; G1039-E1043 PolarHBondContact O-N 3.06Å; V1040-E1043 PolarHBondContact O-N 3.33Å; E1043-K1050 VanDerWaalsContact O-CE 3.28Å; E1043-K1050 WeakPolarHBondContact O-CE 3.46Å; E1043-K1050 PolarHBondContact O-NZ 2.81Å; E1043-K1050 IonicContact OE1-NZ 2.64Å
1044	G	80.9	Confident	90.5	Very high	36 Å²	36	72.1 Å²	72.1	37%	0.371	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	138.8	9.6	172.9	0	0	0	0	0	115.7	V1040 K1042	V1040-G1044 PolarHBondContact O-N 3.2Å; K1042-G1044 VanDerWaalsContact C-N 3.34Å
1045	G	88	Confident	90.4	Very high	32 Å²	32	72.5 Å²	72.5	33%	0.33	39%	0.391	S	S	.	.	S	Bend	trans	73	-126.9	-179.6	0	0	0	0	0	112.2	V1040	V1040-G1045 WeakPolarHBondContact O-CA 3.36Å; V1040-G1045 PolarHBondContact O-N 2.97Å
1046	S	89.9	Confident	90.2	Very high	65 Å²	65	69.9 Å²	69.9	46%	0.455	38%	0.381	S	S	.	.	S	Bend	trans	-72.1	133.1	174.6	172.7	0	0	0	0	111.1	A1048 A1049 K1050	S1046-A1048 PolarHBondContact O-N 3.31Å; S1046-A1048 PolarHBondContact OG-N 3.32Å; S1046-A1049 WeakPolarHBondContact O-CB 3.41Å; S1046-A1049 PolarHBondContact O-N 2.93Å; S1046-K1050 PolarHBondContact O-N 2.83Å
1047	L	90.6	Very high	90.1	Very high	119 Å²	119	63.2 Å²	63.2	62%	0.623	36%	0.355	S	S	*	.	H	α-helix	trans	-53.1	-42.8	175.1	177	60.9	0	0	0	112	A1049 K1050 Q1051	L1047-A1049 PolarHBondContact O-N 2.87Å; L1047-K1050 PolarHBondContact O-N 3.03Å; L1047-Q1051 HydrophobicContact CD1-CG 4.29Å; L1047-Q1051 WeakPolarHBondContact O-CB 3.42Å; L1047-Q1051 WeakPolarHBondContact O-CG 3.35Å; L1047-Q1051 PolarHBondContact O-N 2.98Å
1048	A	90.8	Very high	90.1	Very high	33 Å²	33	60.4 Å²	60.4	27%	0.273	35%	0.345	S	S	.	.	H	α-helix	trans	-63.1	-40.5	177.8	0	0	0	0	0	111.7	L913 S1046 C1052	L913-A1048 HydrophobicContact CD2-CB 4.33Å; S1046-A1048 PolarHBondContact O-N 3.31Å; S1046-A1048 PolarHBondContact OG-N 3.32Å; A1048-C1052 WeakPolarHBondContact O-CB 3.46Å; A1048-C1052 PolarHBondContact O-N 3.06Å
1049	A	90.2	Very high	90	Very high	30 Å²	30	61.7 Å²	61.7	25%	0.248	35%	0.354	C	S	.	.	H	α-helix	trans	-68	-40.8	175.9	0	0	0	0	0	112.2	L913 S1046 L1047 C1052 L1053	L913-A1049 HydrophobicContact CD1-CB 4.38Å; L913-A1049 HydrophobicContact CD2-CB 4.36Å; S1046-A1049 WeakPolarHBondContact O-CB 3.41Å; S1046-A1049 PolarHBondContact O-N 2.93Å; L1047-A1049 PolarHBondContact O-N 2.87Å; A1049-C1052 WeakPolarHBondContact O-CB 3.19Å; A1049-C1052 PolarHBondContact O-N 3.13Å; A1049-L1053 WeakPolarHBondContact O-CG 3.44Å; A1049-L1053 PolarHBondContact O-N 3.41Å
1050	K	91.5	Very high	89.8	Confident	69 Å²	69	61.5 Å²	61.5	30%	0.3	35%	0.345	S	S	.	.	H	α-helix	trans	-59.5	-47.5	174.8	-176.3	176.6	179.7	170	0	111.4	E1043 S1046 L1047 L1053 L1054	E1043-K1050 VanDerWaalsContact O-CE 3.28Å; E1043-K1050 WeakPolarHBondContact O-CE 3.46Å; E1043-K1050 PolarHBondContact O-NZ 2.81Å; E1043-K1050 IonicContact OE1-NZ 2.64Å; S1046-K1050 PolarHBondContact O-N 2.83Å; L1047-K1050 PolarHBondContact O-N 3.03Å; K1050-L1053 PolarHBondContact O-N 3.4Å; K1050-L1054 HydrophobicContact CG-CD1 4.18Å; K1050-L1054 VanDerWaalsContact O-CG 3.3Å; K1050-L1054 WeakPolarHBondContact O-CG 3.18Å; K1050-L1054 PolarHBondContact O-N 2.87Å; K1050-L1054 VanDerWaalsContact O-N 3.12Å
1051	Q	91.1	Very high	89.6	Confident	54 Å²	54	57.8 Å²	57.8	25%	0.252	32%	0.323	S	S	.	.	H	α-helix	trans	-61.4	-43.3	172.6	-73.5	170.5	-23	0	0	111.9	L1047 L1053 L1054 N1055 A1061	L1047-Q1051 HydrophobicContact CD1-CG 4.29Å; L1047-Q1051 WeakPolarHBondContact O-CB 3.42Å; L1047-Q1051 WeakPolarHBondContact O-CG 3.35Å; L1047-Q1051 PolarHBondContact O-N 2.98Å; Q1051-L1053 VanDerWaalsContact C-N 3.33Å; Q1051-L1053 PolarHBondContact O-N 3.25Å; Q1051-L1054 PolarHBondContact O-N 3.33Å; Q1051-N1055 WeakPolarHBondContact O-CB 3.43Å; Q1051-N1055 PolarHBondContact O-N 2.85Å; Q1051-A1061 HydrophobicContact CB-CB 3.86Å; Q1051-A1061 HydrophobicContact CG-CB 3.9Å
1052	C	91.3	Very high	89.5	Confident	7 Å²	7	55.8 Å²	55.8	5%	0.047	32%	0.317	C	S	.	.	H	α-helix	trans	-61.4	-37.2	179.4	-151.5	0	0	0	0	113	L913 W916 A1048 A1049 G1056	L913-C1052 HydrophobicContact CD1-CB 4.36Å; W916-C1052 PolarHBondContact NE1-SG 3.47Å; A1048-C1052 WeakPolarHBondContact O-CB 3.46Å; A1048-C1052 PolarHBondContact O-N 3.06Å; A1049-C1052 WeakPolarHBondContact O-CB 3.19Å; A1049-C1052 PolarHBondContact O-N 3.13Å; C1052-G1056 CarbonylContact O-C 3.59Å; C1052-G1056 WeakPolarHBondContact O-CA 3.38Å; C1052-G1056 PolarHBondContact O-N 3.22Å; C1052-G1056 PolarHBondContact SG-O 3.2Å
1053	L	89.4	Confident	89.4	Confident	119 Å²	119	52.1 Å²	52.1	62%	0.623	30%	0.303	S	S	*	.	H	α-helix	trans	-76.3	-35.3	176.5	-68.7	172.4	0	0	0	113.1	A1049 K1050 Q1051 L1079	A1049-L1053 WeakPolarHBondContact O-CG 3.44Å; A1049-L1053 PolarHBondContact O-N 3.41Å; K1050-L1053 PolarHBondContact O-N 3.4Å; Q1051-L1053 VanDerWaalsContact C-N 3.33Å; Q1051-L1053 PolarHBondContact O-N 3.25Å; L1053-L1079 PolarHBondContact O-N 3.05Å
1054	L	89.9	Confident	89.3	Confident	71 Å²	71	48.9 Å²	48.9	37%	0.372	29%	0.285	S	S	.	.	H	α-helix	trans	-77.9	-45.6	-179.3	-68.9	171.8	0	0	0	112.5	K1050 Q1051 L1079 L1080	K1050-L1054 HydrophobicContact CG-CD1 4.18Å; K1050-L1054 VanDerWaalsContact O-CG 3.3Å; K1050-L1054 WeakPolarHBondContact O-CG 3.18Å; K1050-L1054 PolarHBondContact O-N 2.87Å; K1050-L1054 VanDerWaalsContact O-N 3.12Å; Q1051-L1054 PolarHBondContact O-N 3.33Å; L1054-L1079 PolarHBondContact O-N 3.05Å; L1054-L1080 HydrophobicContact CB-CD1 4.45Å; L1054-L1080 WeakPolarHBondContact O-CB 3.38Å; L1054-L1080 VanDerWaalsContact O-CG 3.24Å; L1054-L1080 WeakPolarHBondContact O-CG 3.31Å; L1054-L1080 PolarHBondContact O-N 2.91Å; L1054-L1080 VanDerWaalsContact O-N 3.07Å
1055	N	90.1	Very high	89.5	Confident	13 Å²	13	53.1 Å²	53.1	7%	0.07	30%	0.298	C	S	.	.	H	α-helix	trans	-112.7	-3.4	-170.6	-64.7	74.3	0	0	0	113.8	Q1051 A1057 L1060 A1061 G1077	Q1051-N1055 WeakPolarHBondContact O-CB 3.43Å; Q1051-N1055 PolarHBondContact O-N 2.85Å; N1055-A1057 VanDerWaalsContact C-N 3.32Å; N1055-A1057 PolarHBondContact O-N 2.88Å; N1055-L1060 HydrophobicContact CB-CB 4.48Å; N1055-L1060 WeakPolarHBondContact O-CB 3.47Å; N1055-L1060 WeakPolarHBondContact O-CD1 3.49Å; N1055-A1061 HydrophobicContact CB-CB 3.92Å; N1055-G1077 CarbonylContact C-O 3.58Å; N1055-G1077 VanDerWaalsContact C-O 3.26Å; N1055-G1077 WeakPolarHBondContact CA-O 3.48Å; N1055-G1077 CarbonylContact O-C 3.42Å; N1055-G1077 VanDerWaalsContact O-CA 3.23Å; N1055-G1077 WeakPolarHBondContact O-CA 3.49Å; N1055-G1077 PolarHBondContact O-N 3Å; N1055-G1077 VanDerWaalsContact O-N 3.09Å
1056	G	90	Very high	89.4	Confident	9 Å²	9	53.7 Å²	53.7	9%	0.093	30%	0.297	C	S	.	.	S	Bend	trans	91.4	-35.9	-177.8	0	0	0	0	0	114.6	W916 C1052	W916-G1056 PolarHBondContact NE1-O 3.01Å; C1052-G1056 CarbonylContact O-C 3.59Å; C1052-G1056 WeakPolarHBondContact O-CA 3.38Å; C1052-G1056 PolarHBondContact O-N 3.22Å; C1052-G1056 PolarHBondContact SG-O 3.2Å
1057	A	91.3	Very high	89.1	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.295	C	S	.	.	S	Bend	trans	-155.4	158.3	177.3	0	0	0	0	0	110.7	F920 N1055 L1060 A1061	F920-A1057 HydrophobicContact CD1-CB 3.78Å; F920-A1057 HydrophobicContact CD2-CB 4.22Å; F920-A1057 HydrophobicContact CE1-CB 3.55Å; F920-A1057 HydrophobicContact CE2-CB 4.03Å; F920-A1057 HydrophobicContact CG-CB 4.1Å; F920-A1057 HydrophobicContact CZ-CB 3.69Å; N1055-A1057 VanDerWaalsContact C-N 3.32Å; N1055-A1057 PolarHBondContact O-N 2.88Å; A1057-L1060 HydrophobicContact CB-CB 4.34Å; A1057-L1060 HydrophobicContact CB-CD1 4.15Å; A1057-L1060 HydrophobicContact CB-CG 4.13Å; A1057-L1060 PolarHBondContact O-N 3.17Å; A1057-A1061 PolarHBondContact O-N 3.34Å; A1057-A1061 VanDerWaalsContact O-N 3.07Å
1058	P	91.3	Very high	88.3	Confident	36 Å²	36	61.7 Å²	61.7	23%	0.234	31%	0.309	C	S	.	.	H	α-helix	trans	-64.6	-37.6	174.3	25.9	-33.8	0	0	0	112.5	L917 L1060 A1061 T1062	L917-P1058 HydrophobicContact CD2-CG 3.97Å; P1058-L1060 VanDerWaalsContact C-N 3.31Å; P1058-L1060 PolarHBondContact O-N 2.79Å; P1058-A1061 WeakPolarHBondContact O-CA 3.29Å; P1058-A1061 WeakPolarHBondContact O-CB 3.43Å; P1058-A1061 PolarHBondContact O-N 3.08Å; P1058-T1062 PolarHBondContact O-N 3.33Å; P1058-T1062 PolarHBondContact O-OG1 3.43Å
1059	E	89	Confident	88.1	Confident	92 Å²	92	65 Å²	65	43%	0.43	33%	0.33	S	S	.	.	H	α-helix	trans	-56.4	-45.1	173.1	-65.5	174.7	-166.3	0	0	111.7	F920 K924 A1061 T1062 D1063	F920-E1059 WeakPolarHBondContact CE1-OE2 3.45Å; K924-E1059 IonicContact NZ-OE2 2.65Å; K924-E1059 PolarHBondContact NZ-OE2 2.72Å; E1059-A1061 VanDerWaalsContact C-N 3.26Å; E1059-A1061 PolarHBondContact O-N 3.02Å; E1059-T1062 WeakPolarHBondContact CA-OG1 3.41Å; E1059-T1062 PolarHBondContact O-N 3.31Å; E1059-T1062 PolarHBondContact O-OG1 3.22Å; E1059-D1063 PolarHBondContact O-N 3.1Å
1060	L	88.9	Confident	88.1	Confident	27 Å²	27	66.6 Å²	66.6	14%	0.141	33%	0.332	C	S	.	.	H	α-helix	trans	-70.3	-20.6	176.1	-64.5	177.1	0	0	0	112.8	F920 N1055 A1057 P1058 W1064	F920-L1060 HydrophobicContact CE2-CD1 3.79Å; F920-L1060 HydrophobicContact CE2-CG 4.34Å; F920-L1060 HydrophobicContact CZ-CD1 3.86Å; F920-L1060 HydrophobicContact CZ-CD2 4.44Å; F920-L1060 HydrophobicContact CZ-CG 3.89Å; N1055-L1060 HydrophobicContact CB-CB 4.48Å; N1055-L1060 WeakPolarHBondContact O-CB 3.47Å; N1055-L1060 WeakPolarHBondContact O-CD1 3.49Å; A1057-L1060 HydrophobicContact CB-CB 4.34Å; A1057-L1060 HydrophobicContact CB-CD1 4.15Å; A1057-L1060 HydrophobicContact CB-CG 4.13Å; A1057-L1060 PolarHBondContact O-N 3.17Å; P1058-L1060 VanDerWaalsContact C-N 3.31Å; P1058-L1060 PolarHBondContact O-N 2.79Å; L1060-W1064 WeakPolarHBondContact O-CB 3.42Å; L1060-W1064 PolarHBondContact O-N 3.19Å; L1060-W1064 VanDerWaalsContact O-N 3.08Å
1061	A	89.7	Confident	87.9	Confident	5 Å²	5	72.9 Å²	72.9	4%	0.041	36%	0.36	C	S	.	.	H	α-helix	trans	-75.5	-39.5	171.4	0	0	0	0	0	111.4	Q1051 N1055 A1057 P1058 E1059 L1065	Q1051-A1061 HydrophobicContact CB-CB 3.86Å; Q1051-A1061 HydrophobicContact CG-CB 3.9Å; N1055-A1061 HydrophobicContact CB-CB 3.92Å; A1057-A1061 PolarHBondContact O-N 3.34Å; A1057-A1061 VanDerWaalsContact O-N 3.07Å; P1058-A1061 WeakPolarHBondContact O-CA 3.29Å; P1058-A1061 WeakPolarHBondContact O-CB 3.43Å; P1058-A1061 PolarHBondContact O-N 3.08Å; E1059-A1061 VanDerWaalsContact C-N 3.26Å; E1059-A1061 PolarHBondContact O-N 3.02Å; A1061-L1065 WeakPolarHBondContact O-CG 3.34Å; A1061-L1065 PolarHBondContact O-N 3.18Å
1062	T	89	Confident	87.7	Confident	91 Å²	91	79.4 Å²	79.4	56%	0.558	39%	0.388	S	S	*	.	H	α-helix	trans	-67.1	-44.3	172.4	37.7	0	0	0	0	112.3	P1058 E1059 W1064 L1065 S1066	P1058-T1062 PolarHBondContact O-N 3.33Å; P1058-T1062 PolarHBondContact O-OG1 3.43Å; E1059-T1062 WeakPolarHBondContact CA-OG1 3.41Å; E1059-T1062 PolarHBondContact O-N 3.31Å; E1059-T1062 PolarHBondContact O-OG1 3.22Å; T1062-W1064 PolarHBondContact O-N 3.07Å; T1062-L1065 WeakPolarHBondContact O-CB 3.32Å; T1062-L1065 PolarHBondContact O-N 3.03Å; T1062-L1065 VanDerWaalsContact O-N 3.11Å; T1062-S1066 PolarHBondContact O-N 3.48Å
1063	D	86.8	Confident	87.3	Confident	41 Å²	41	82.4 Å²	82.4	22%	0.219	41%	0.407	C	S	.	.	H	α-helix	trans	-61.5	-44.8	176.5	179.1	69.3	0	0	0	112.2	E1059 L1065 S1066 R1067 Q1070	E1059-D1063 PolarHBondContact O-N 3.1Å; D1063-L1065 PolarHBondContact O-N 2.83Å; D1063-L1065 VanDerWaalsContact O-N 3.14Å; D1063-S1066 WeakPolarHBondContact CA-OG 3.4Å; D1063-S1066 CarbonylContact O-C 3.56Å; D1063-S1066 WeakPolarHBondContact O-CA 3.49Å; D1063-S1066 PolarHBondContact O-N 3.11Å; D1063-S1066 PolarHBondContact O-OG 3.49Å; D1063-R1067 PolarHBondContact O-N 2.91Å; D1063-Q1070 PolarHBondContact OD1-NE2 2.86Å
1064	W	85.6	Confident	87	Confident	78 Å²	78	82.8 Å²	82.8	30%	0.295	41%	0.406	S	S	.	.	H	α-helix	trans	-65.2	-16.9	176.2	-170.7	97	0	0	0	113.9	L1060 T1062 R1067 L1080	L1060-W1064 WeakPolarHBondContact O-CB 3.42Å; L1060-W1064 PolarHBondContact O-N 3.19Å; L1060-W1064 VanDerWaalsContact O-N 3.08Å; T1062-W1064 PolarHBondContact O-N 3.07Å; W1064-R1067 VanDerWaalsContact CE2-NE 3.32Å; W1064-R1067 VanDerWaalsContact CZ2-CZ 3.42Å; W1064-R1067 WeakPolarHBondContact O-CD 3.25Å; W1064-R1067 WeakPolarHBondContact O-CG 3.1Å; W1064-R1067 PolarHBondContact O-NE 3.15Å; W1064-R1067 VanDerWaalsContact O-NE 3.08Å; W1064-L1080 HydrophobicContact CZ2-CD1 4.16Å
1065	L	85.8	Confident	86.6	Confident	124 Å²	124	85.1 Å²	85.1	65%	0.649	43%	0.425	S	S	*	.	H	α-helix	trans	-79.2	-39.3	167.5	-69.5	167.3	0	0	0	111	A1061 T1062 D1063 R1067	A1061-L1065 WeakPolarHBondContact O-CG 3.34Å; A1061-L1065 PolarHBondContact O-N 3.18Å; T1062-L1065 WeakPolarHBondContact O-CB 3.32Å; T1062-L1065 PolarHBondContact O-N 3.03Å; T1062-L1065 VanDerWaalsContact O-N 3.11Å; D1063-L1065 PolarHBondContact O-N 2.83Å; D1063-L1065 VanDerWaalsContact O-N 3.14Å; L1065-R1067 VanDerWaalsContact C-N 3.26Å; L1065-R1067 PolarHBondContact O-N 2.85Å
1066	S	86.3	Confident	86.3	Confident	45 Å²	45	85.5 Å²	85.5	32%	0.315	43%	0.43	S	S	.	.	H	α-helix	trans	-73.1	-6.4	173	51.1	0	0	0	0	115.2	T1062 D1063 R1068 S1069	T1062-S1066 PolarHBondContact O-N 3.48Å; D1063-S1066 WeakPolarHBondContact CA-OG 3.4Å; D1063-S1066 CarbonylContact O-C 3.56Å; D1063-S1066 WeakPolarHBondContact O-CA 3.49Å; D1063-S1066 PolarHBondContact O-N 3.11Å; D1063-S1066 PolarHBondContact O-OG 3.49Å; S1066-R1068 PolarHBondContact O-N 3.31Å; S1066-S1069 PolarHBondContact O-N 3.36Å; S1066-S1069 PolarHBondContact O-OG 3.02Å
1067	R	81.7	Confident	86.1	Confident	110 Å²	110	86 Å²	86	42%	0.415	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-14.1	176.7	79.3	-173	165.6	112.7	1.6	116.2	D1063 W1064 L1065 P1073	D1063-R1067 PolarHBondContact O-N 2.91Å; W1064-R1067 VanDerWaalsContact CE2-NE 3.32Å; W1064-R1067 VanDerWaalsContact CZ2-CZ 3.42Å; W1064-R1067 WeakPolarHBondContact O-CD 3.25Å; W1064-R1067 WeakPolarHBondContact O-CG 3.1Å; W1064-R1067 PolarHBondContact O-NE 3.15Å; W1064-R1067 VanDerWaalsContact O-NE 3.08Å; L1065-R1067 VanDerWaalsContact C-N 3.26Å; L1065-R1067 PolarHBondContact O-N 2.85Å; R1067-P1073 HydrophobicContact CB-CB 3.75Å
1068	R	74	Confident	85.9	Confident	242 Å²	242	87.5 Å²	87.5	91%	0.913	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-20.4	173.5	-77.7	-173.2	172.2	-174.7	-1.6	113.5	S1066	S1066-R1068 PolarHBondContact O-N 3.31Å
1069	S	87.1	Confident	85.6	Confident	102 Å²	102	90 Å²	90	71%	0.713	46%	0.461	S	S	*	.	S	Bend	trans	-106.7	8.1	176.4	44.1	0	0	0	0	113	S1066	S1066-S1069 PolarHBondContact O-N 3.36Å; S1066-S1069 PolarHBondContact O-OG 3.02Å
1070	Q	89.6	Confident	85.5	Confident	64 Å²	64	88.6 Å²	88.6	30%	0.299	46%	0.457	S	S	.	.			trans	-110.6	135	175.7	-66.6	169.2	-16.1	0	0	110.4	D1063	D1063-Q1070 PolarHBondContact OD1-NE2 2.86Å
1071	F	87.8	Confident	85.3	Confident	200 Å²	200	89.5 Å²	89.5	88%	0.877	47%	0.465	S	S	*	.	S	Bend	trans	-72.3	-35.3	174.1	-65.5	-78	0	0	0	112.7
1072	F	87	Confident	85.1	Confident	192 Å²	192	92.1 Å²	92.1	84%	0.842	48%	0.478	S	S	*	.	S	Bend	trans	-126.9	89.1	-179.2	-58.5	-72.8	0	0	0	109.1
1073	P	84	Confident	84.8	Confident	70 Å²	70	97.7 Å²	97.7	46%	0.455	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-75.1	145.1	-178.4	31.5	-36	0	0	0	111.7	R1067	R1067-P1073 HydrophobicContact CB-CB 3.75Å
1074	E	82.8	Confident	84.6	Confident	127 Å²	127	98.1 Å²	98.1	59%	0.593	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-65.3	152	178.2	-70.5	-158.9	169.8	0	0	112.5	A1076	E1074-A1076 PolarHBondContact O-N 2.96Å
1075	P	81.5	Confident	84.2	Confident	119 Å²	119	98.3 Å²	98.3	77%	0.773	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-61.2	119.4	172.5	-21.4	33.5	0	0	0	111.6	G1077	P1075-G1077 PolarHBondContact O-N 3.13Å
1076	A	83.1	Confident	83.8	Confident	22 Å²	22	96.3 Å²	96.3	18%	0.182	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-57.9	135.6	175.3	0	0	0	0	0	111.4	E1074 L1080 S1081	E1074-A1076 PolarHBondContact O-N 2.96Å; A1076-L1080 HydrophobicContact CB-CB 4.05Å; A1076-S1081 WeakPolarHBondContact O-CB 3.34Å; A1076-S1081 PolarHBondContact O-OG 3.13Å
1077	G	85.8	Confident	83.7	Confident	18 Å²	18	96 Å²	96	19%	0.186	49%	0.492	C	S	.	.			trans	-81.2	-179.1	168.7	0	0	0	0	0	112.9	N1055 P1075	N1055-G1077 CarbonylContact C-O 3.58Å; N1055-G1077 VanDerWaalsContact C-O 3.26Å; N1055-G1077 WeakPolarHBondContact CA-O 3.48Å; N1055-G1077 CarbonylContact O-C 3.42Å; N1055-G1077 VanDerWaalsContact O-CA 3.23Å; N1055-G1077 WeakPolarHBondContact O-CA 3.49Å; N1055-G1077 PolarHBondContact O-N 3Å; N1055-G1077 VanDerWaalsContact O-N 3.09Å; P1075-G1077 PolarHBondContact O-N 3.13Å
1078	G	86.9	Confident	84	Confident	32 Å²	32	98.7 Å²	98.7	33%	0.33	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	66.6	-145.7	170.3	0	0	0	0	0	114.7	L1080 S1081	G1078-L1080 VanDerWaalsContact C-N 3.26Å; G1078-L1080 PolarHBondContact O-N 3.36Å; G1078-S1081 PolarHBondContact O-OG 2.82Å
1079	L	86.4	Confident	84.7	Confident	88 Å²	88	90.4 Å²	90.4	46%	0.461	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-70	-18.2	-177.3	-68.6	170.6	0	0	0	113.9	L1053 L1054 W1088	L1053-L1079 PolarHBondContact O-N 3.05Å; L1054-L1079 PolarHBondContact O-N 3.05Å; L1079-W1088 HydrophobicContact CD2-CH2 4.1Å
1080	L	85.1	Confident	84.9	Confident	63 Å²	63	90.3 Å²	90.3	33%	0.33	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-80.3	-20.8	-178.5	-71.9	172.2	0	0	0	114.3	L1054 W1064 A1076 G1078	L1054-L1080 HydrophobicContact CB-CD1 4.45Å; L1054-L1080 WeakPolarHBondContact O-CB 3.38Å; L1054-L1080 VanDerWaalsContact O-CG 3.24Å; L1054-L1080 WeakPolarHBondContact O-CG 3.31Å; L1054-L1080 PolarHBondContact O-N 2.91Å; L1054-L1080 VanDerWaalsContact O-N 3.07Å; W1064-L1080 HydrophobicContact CZ2-CD1 4.16Å; A1076-L1080 HydrophobicContact CB-CB 4.05Å; G1078-L1080 VanDerWaalsContact C-N 3.26Å; G1078-L1080 PolarHBondContact O-N 3.36Å
1081	S	85.5	Confident	85	Confident	46 Å²	46	92 Å²	92	32%	0.322	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-41.9	169.3	4.2	0	0	0	0	111.7	A1076 G1078	A1076-S1081 WeakPolarHBondContact O-CB 3.34Å; A1076-S1081 PolarHBondContact O-OG 3.13Å; G1078-S1081 PolarHBondContact O-OG 2.82Å
1082	I	86.6	Confident	84.8	Confident	61 Å²	61	85.3 Å²	85.3	31%	0.313	45%	0.448	S	S	.	.			trans	-74.3	130.2	-174.1	-58.9	177.4	0	0	0	110.1	W1088	I1082-W1088 HydrophobicContact CG2-CH2 4.23Å; I1082-W1088 WeakPolarHBondContact O-CZ2 3.45Å
1083	R	81.1	Confident	84.8	Confident	207 Å²	207	82.7 Å²	82.7	78%	0.781	44%	0.441	S	S	*	.			trans	-132.9	113	178.2	-63.2	-172.7	-173.2	179.8	5.5	111.6
1084	P	82.1	Confident	84.8	Confident	50 Å²	50	81.4 Å²	81.4	33%	0.325	43%	0.433	S	S	.	.			trans	-69.8	138.4	170	28.2	-34.2	0	0	0	111.1	N1086 G1087 W1088	P1084-N1086 PolarHBondContact O-N 3.1Å; P1084-G1087 VanDerWaalsContact CG-C 3.41Å; P1084-G1087 WeakPolarHBondContact CG-O 3.18Å; P1084-G1087 PolarHBondContact O-N 2.9Å; P1084-W1088 HydrophobicContact CG-CB 4.42Å; P1084-W1088 HydrophobicContact CG-CD2 3.73Å; P1084-W1088 HydrophobicContact CG-CE3 4.1Å; P1084-W1088 HydrophobicContact CG-CG 3.85Å
1085	Q	78.1	Confident	84.6	Confident	83 Å²	83	77.4 Å²	77.4	39%	0.388	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-46.9	-173	-66.7	-176.5	-23.6	0	0	114	L1009 C1014 G1087	L1009-Q1085 PolarHBondContact O-NE2 2.96Å; C1014-Q1085 PolarHBondContact SG-OE1 3.47Å; Q1085-G1087 VanDerWaalsContact C-N 3.34Å
1086	N	78.2	Confident	84.6	Confident	81 Å²	81	77 Å²	77	43%	0.433	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	13.1	-178.4	-66.2	-35.7	0	0	0	113	C1014 P1084	C1014-N1086 PolarHBondContact O-ND2 2.91Å; P1084-N1086 PolarHBondContact O-N 3.1Å
1087	G	84.3	Confident	84.5	Confident	39 Å²	39	83.7 Å²	83.7	40%	0.402	44%	0.439	S	S	.	.			trans	83.4	168.4	-173	0	0	0	0	0	114.3	P1084 Q1085 S1089	P1084-G1087 VanDerWaalsContact CG-C 3.41Å; P1084-G1087 WeakPolarHBondContact CG-O 3.18Å; P1084-G1087 PolarHBondContact O-N 2.9Å; Q1085-G1087 VanDerWaalsContact C-N 3.34Å; G1087-S1089 VanDerWaalsContact C-N 3.29Å; G1087-S1089 PolarHBondContact O-N 3.25Å
1088	W	87.7	Confident	84.3	Confident	166 Å²	166	84.1 Å²	84.1	63%	0.629	44%	0.439	S	S	*	.	S	Bend	trans	-72.6	-19.2	-176.5	-69	101.8	0	0	0	113.7	L1079 I1082 P1084	L1079-W1088 HydrophobicContact CD2-CH2 4.1Å; I1082-W1088 HydrophobicContact CG2-CH2 4.23Å; I1082-W1088 WeakPolarHBondContact O-CZ2 3.45Å; P1084-W1088 HydrophobicContact CG-CB 4.42Å; P1084-W1088 HydrophobicContact CG-CD2 3.73Å; P1084-W1088 HydrophobicContact CG-CE3 4.1Å; P1084-W1088 HydrophobicContact CG-CG 3.85Å
1089	S	89.2	Confident	84.3	Confident	68 Å²	68	83.5 Å²	83.5	48%	0.476	43%	0.428	S	S	.	.	S	Bend	trans	-92.8	130.7	175.7	61	0	0	0	0	110.9	G1087 I1091	G1087-S1089 VanDerWaalsContact C-N 3.29Å; G1087-S1089 PolarHBondContact O-N 3.25Å; S1089-I1091 PolarHBondContact O-N 3.02Å
1090	F	90.5	Very high	84.4	Confident	100 Å²	100	80.7 Å²	80.7	44%	0.439	41%	0.413	S	S	.	.			trans	-71.4	16.9	176.6	-59.2	-68.7	0	0	0	115.3	W830 P832 P1018 T1021	W830-F1090 VanDerWaalsContact CZ3-O 3.31Å; W830-F1090 WeakPolarHBondContact CZ3-O 3.21Å; P832-F1090 HydrophobicContact CG-CB 3.56Å; P832-F1090 HydrophobicContact CG-CG 4.45Å; P1018-F1090 HydrophobicContact CG-CD2 4.31Å; P1018-F1090 HydrophobicContact CG-CE1 4.37Å; P1018-F1090 HydrophobicContact CG-CE2 3.99Å; P1018-F1090 HydrophobicContact CG-CZ 4.02Å; T1021-F1090 HydrophobicContact CG2-CD2 4.42Å
1091	I	90.6	Very high	84.5	Confident	101 Å²	101	82 Å²	82	52%	0.518	42%	0.424	S	S	.	.			trans	-74.3	137.1	179.4	-58.8	173.8	0	0	0	108.7	S1089	S1089-I1091 PolarHBondContact O-N 3.02Å
1092	R	85.3	Confident	84.7	Confident	59 Å²	59	80.8 Å²	80.8	22%	0.223	41%	0.414	C	S	.	.	B	Isolated β-bridge	trans	-126	124.5	177.8	-64.8	-162.2	179	94.6	8.9	111.9	W830 C1014 V1015 A1016 S1017	W830-R1092 HydrophobicContact CE3-CG 4.45Å; W830-R1092 PolarHBondContact N-O 3.16Å; W830-R1092 PolarHBondContact O-N 3.47Å; C1014-R1092 PolarHBondContact O-NH2 2.78Å; V1015-R1092 VanDerWaalsContact CA-NH2 3.33Å; V1015-R1092 PolarHBondContact O-NH1 2.97Å; V1015-R1092 PolarHBondContact O-NH2 3.48Å; V1015-R1092 VanDerWaalsContact O-NH2 3.16Å; A1016-R1092 PolarHBondContact O-NH2 3.23Å; S1017-R1092 PolarHBondContact OG-NH1 3.03Å; S1017-R1092 PolarHBondContact OG-NH2 2.77Å
1093	I	86.9	Confident	85	Confident	136 Å²	136	77.9 Å²	77.9	70%	0.697	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-96	129.4	165.9	-56.6	175	0	0	0	106.2	T829 G1095	T829-I1093 HydrophobicContact CG2-CG1 4.22Å; T829-I1093 HydrophobicContact CG2-CG2 4.38Å; I1093-G1095 PolarHBondContact O-N 3.34Å
1094	P	83.3	Confident	85.5	Confident	44 Å²	44	68.9 Å²	68.9	29%	0.286	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-58.8	134	172	-22.5	33.2	0	0	0	111.5	Q827	Q827-P1094 HydrophobicContact CB-CB 4.35Å; Q827-P1094 HydrophobicContact CB-CG 4.01Å; Q827-P1094 HydrophobicContact CG-CB 4.03Å; Q827-P1094 HydrophobicContact CG-CG 3.62Å
1095	G	78.1	Confident	86	Confident	43 Å²	43	70.9 Å²	70.9	44%	0.443	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-80.3	162.8	177.9	0	0	0	0	0	112.4	I1093 E1097 S1098	I1093-G1095 PolarHBondContact O-N 3.34Å; G1095-E1097 PolarHBondContact O-N 3.42Å; G1095-S1098 PolarHBondContact O-N 3.43Å; G1095-S1098 VanDerWaalsContact O-N 3.07Å; G1095-S1098 PolarHBondContact O-OG 3.29Å
1096	K	81.8	Confident	86.7	Confident	111 Å²	111	67.4 Å²	67.4	48%	0.483	36%	0.358	S	S	.	.	H	α-helix	trans	-57.8	-30.4	173.5	-65.6	-179.3	-179.8	173.2	0	112.6	S1098 L1099 I1100 R1141	K1096-S1098 VanDerWaalsContact C-N 3.3Å; K1096-S1098 PolarHBondContact O-N 2.81Å; K1096-L1099 WeakPolarHBondContact O-CB 3.49Å; K1096-L1099 PolarHBondContact O-N 3.26Å; K1096-L1099 VanDerWaalsContact O-N 3.17Å; K1096-I1100 PolarHBondContact O-N 2.9Å; K1096-R1141 PolarHBondContact NZ-O 3.35Å; K1096-R1141 PolarHBondContact NZ-OXT 3.35Å
1097	E	81.2	Confident	87.4	Confident	162 Å²	162	70 Å²	70	76%	0.757	36%	0.363	S	S	*	.	H	α-helix	trans	-56	-41.1	174.6	-64.6	168.5	-165.5	0	0	112.4	G1095 L1099 I1100 T1101	G1095-E1097 PolarHBondContact O-N 3.42Å; E1097-L1099 VanDerWaalsContact C-N 3.29Å; E1097-L1099 PolarHBondContact O-N 2.96Å; E1097-I1100 PolarHBondContact O-N 3.49Å; E1097-T1101 PolarHBondContact O-N 3.25Å; E1097-T1101 VanDerWaalsContact O-N 3.16Å; E1097-T1101 PolarHBondContact O-OG1 2.98Å
1098	S	82.5	Confident	87.8	Confident	27 Å²	27	69.4 Å²	69.4	19%	0.189	35%	0.354	C	S	.	.	H	α-helix	trans	-66.7	-34.3	-179.8	63.1	0	0	0	0	111.6	Q827 G1095 K1096 I1100 T1101 D1102	Q827-S1098 PolarHBondContact OE1-OG 2.93Å; G1095-S1098 PolarHBondContact O-N 3.43Å; G1095-S1098 VanDerWaalsContact O-N 3.07Å; G1095-S1098 PolarHBondContact O-OG 3.29Å; K1096-S1098 VanDerWaalsContact C-N 3.3Å; K1096-S1098 PolarHBondContact O-N 2.81Å; S1098-I1100 PolarHBondContact O-N 2.97Å; S1098-T1101 WeakPolarHBondContact CA-OG1 3.49Å; S1098-T1101 PolarHBondContact O-N 3.39Å; S1098-T1101 PolarHBondContact O-OG1 3.39Å; S1098-D1102 WeakPolarHBondContact O-CB 3.3Å; S1098-D1102 PolarHBondContact O-N 3.14Å
1099	L	85.4	Confident	88	Confident	18 Å²	18	63.7 Å²	63.7	9%	0.094	34%	0.335	C	S	.	.	H	α-helix	trans	-54.3	-50.6	173.3	-164.7	79.3	0	0	0	111.3	H820 E822 K1096 E1097 T1101 D1102 L1106 L1135	H820-L1099 WeakPolarHBondContact CE1-CD1 3.29Å; H820-L1099 PolarHBondContact NE2-O 3.46Å; E822-L1099 HydrophobicContact CG-CD1 3.98Å; E822-L1099 WeakPolarHBondContact OE2-CD1 3.44Å; K1096-L1099 WeakPolarHBondContact O-CB 3.49Å; K1096-L1099 PolarHBondContact O-N 3.26Å; K1096-L1099 VanDerWaalsContact O-N 3.17Å; E1097-L1099 VanDerWaalsContact C-N 3.29Å; E1097-L1099 PolarHBondContact O-N 2.96Å; L1099-T1101 PolarHBondContact O-N 3.11Å; L1099-D1102 PolarHBondContact O-N 2.87Å; L1099-L1106 HydrophobicContact CD2-CD2 4.47Å; L1099-L1106 HydrophobicContact CG-CD2 4.25Å; L1099-L1135 HydrophobicContact CD1-CD2 4.21Å
1100	I	88.3	Confident	88.2	Confident	30 Å²	30	63.6 Å²	63.6	15%	0.154	33%	0.329	C	S	.	.	H	α-helix	trans	-63.2	-45.1	-179.5	-56.9	175.1	0	0	0	110.7	K1096 E1097 S1098 D1102 Y1107 D1110	K1096-I1100 PolarHBondContact O-N 2.9Å; E1097-I1100 PolarHBondContact O-N 3.49Å; S1098-I1100 PolarHBondContact O-N 2.97Å; I1100-D1102 VanDerWaalsContact C-N 3.29Å; I1100-D1102 PolarHBondContact O-N 3.36Å; I1100-Y1107 HydrophobicContact CG2-CD2 4.4Å; I1100-D1110 HydrophobicContact CG2-CB 4.1Å
1101	T	88.1	Confident	88.2	Confident	89 Å²	89	62.7 Å²	62.7	55%	0.546	33%	0.332	S	S	.	.	H	α-helix	trans	-69.9	-21.4	180	63.6	0	0	0	0	114.3	T770 E1097 S1098 L1099 S1103	T770-T1101 WeakPolarHBondContact CG2-O 3.41Å; E1097-T1101 PolarHBondContact O-N 3.25Å; E1097-T1101 VanDerWaalsContact O-N 3.16Å; E1097-T1101 PolarHBondContact O-OG1 2.98Å; S1098-T1101 WeakPolarHBondContact CA-OG1 3.49Å; S1098-T1101 PolarHBondContact O-N 3.39Å; S1098-T1101 PolarHBondContact O-OG1 3.39Å; L1099-T1101 PolarHBondContact O-N 3.11Å; T1101-S1103 VanDerWaalsContact C-N 3.33Å; T1101-S1103 PolarHBondContact O-N 2.91Å
1102	D	89.1	Confident	88.3	Confident	22 Å²	22	61.7 Å²	61.7	12%	0.118	33%	0.327	C	S	.	.	H	α-helix	trans	-76.1	-17.8	-175.6	-121.8	20.1	0	0	0	113.3	T770 R772 P821 S1098 L1099 I1100	T770-D1102 WeakPolarHBondContact CG2-O 3.26Å; T770-D1102 PolarHBondContact OG1-O 3.28Å; R772-D1102 WeakPolarHBondContact CD-OD1 3.43Å; R772-D1102 WeakPolarHBondContact CD-OD2 3.35Å; R772-D1102 IonicContact NE-OD2 2.59Å; R772-D1102 PolarHBondContact NE-OD2 3.45Å; R772-D1102 VanDerWaalsContact NE-OD2 3.11Å; P821-D1102 HydrophobicContact CG-CB 3.73Å; P821-D1102 WeakPolarHBondContact CG-OD2 3.43Å; S1098-D1102 WeakPolarHBondContact O-CB 3.3Å; S1098-D1102 PolarHBondContact O-N 3.14Å; L1099-D1102 PolarHBondContact O-N 2.87Å; I1100-D1102 VanDerWaalsContact C-N 3.29Å; I1100-D1102 PolarHBondContact O-N 3.36Å
1103	S	92.4	Very high	88.6	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.327	C	S	.	.			trans	-130.3	121.9	175.7	-176.3	0	0	0	0	113.3	Q773 N819 H820 T1101 K1105 L1106 Y1107	Q773-S1103 PolarHBondContact NE2-OG 3.13Å; N819-S1103 PolarHBondContact O-OG 3.34Å; H820-S1103 WeakPolarHBondContact CD2-CB 3.35Å; T1101-S1103 VanDerWaalsContact C-N 3.33Å; T1101-S1103 PolarHBondContact O-N 2.91Å; S1103-K1105 PolarHBondContact O-N 3.45Å; S1103-K1105 VanDerWaalsContact O-N 3.16Å; S1103-L1106 PolarHBondContact O-N 3.23Å; S1103-Y1107 PolarHBondContact O-N 3.35Å
1104	G	93.1	Very high	88.8	Confident	17 Å²	17	58.5 Å²	58.5	18%	0.175	32%	0.319	C	S	.	.	H	α-helix	trans	-64.4	-22.9	179.9	0	0	0	0	0	113.6	T770 A1108	T770-G1104 VanDerWaalsContact CG2-N 3.34Å; G1104-A1108 VanDerWaalsContact O-CB 3.25Å; G1104-A1108 WeakPolarHBondContact O-CB 3.06Å; G1104-A1108 PolarHBondContact O-N 2.92Å; G1104-A1108 VanDerWaalsContact O-N 3.08Å
1105	K	92.9	Very high	89.2	Confident	92 Å²	92	64.5 Å²	64.5	40%	0.4	34%	0.336	S	S	.	.	H	α-helix	trans	-72	-38.5	170	-70.6	-171.4	-176.8	177.3	0	112.6	C767 C818 N819 S1103 L1109	C767-K1105 HydrophobicContact CB-CG 3.75Å; C818-K1105 VanDerWaalsContact O-CD 3.31Å; C818-K1105 WeakPolarHBondContact O-CD 3.36Å; C818-K1105 WeakPolarHBondContact O-CE 3.26Å; C818-K1105 PolarHBondContact O-NZ 2.73Å; C818-K1105 VanDerWaalsContact O-NZ 3.09Å; N819-K1105 PolarHBondContact OD1-NZ 2.68Å; S1103-K1105 PolarHBondContact O-N 3.45Å; S1103-K1105 VanDerWaalsContact O-N 3.16Å; K1105-L1109 VanDerWaalsContact O-CB 3.22Å; K1105-L1109 WeakPolarHBondContact O-CB 3.26Å; K1105-L1109 PolarHBondContact O-N 2.81Å
1106	L	92.4	Very high	89.9	Confident	10 Å²	10	65 Å²	65	5%	0.052	33%	0.328	C	S	.	.	H	α-helix	trans	-74.1	-41.6	-179.1	-173.6	55.2	0	0	0	110.3	L1099 S1103 L1109 D1110 L1136	L1099-L1106 HydrophobicContact CD2-CD2 4.47Å; L1099-L1106 HydrophobicContact CG-CD2 4.25Å; S1103-L1106 PolarHBondContact O-N 3.23Å; L1106-L1109 HydrophobicContact CD1-CD2 4.35Å; L1106-L1109 PolarHBondContact O-N 3.1Å; L1106-D1110 WeakPolarHBondContact O-CB 3.5Å; L1106-D1110 PolarHBondContact O-N 3.29Å; L1106-L1136 HydrophobicContact CD1-CD2 3.64Å
1107	Y	92.1	Very high	90.3	Very high	137 Å²	137	68.1 Å²	68.1	54%	0.537	34%	0.342	S	S	.	.	H	α-helix	trans	-58.9	-47	170.5	-175.2	-96.5	0	0	0	112.9	I1100 S1103 L1109 D1110 V1111	I1100-Y1107 HydrophobicContact CG2-CD2 4.4Å; S1103-Y1107 PolarHBondContact O-N 3.35Å; Y1107-L1109 VanDerWaalsContact C-N 3.33Å; Y1107-L1109 PolarHBondContact O-N 3.46Å; Y1107-D1110 PolarHBondContact O-N 3.5Å; Y1107-V1111 HydrophobicContact CE1-CG2 4.45Å; Y1107-V1111 PolarHBondContact O-N 2.93Å
1108	A	92.8	Very high	90.7	Very high	26 Å²	26	65.4 Å²	65.4	22%	0.215	34%	0.341	C	S	.	.	H	α-helix	trans	-64.3	-37.2	175.8	0	0	0	0	0	112.5	G1104 L1112	G1104-A1108 VanDerWaalsContact O-CB 3.25Å; G1104-A1108 WeakPolarHBondContact O-CB 3.06Å; G1104-A1108 PolarHBondContact O-N 2.92Å; G1104-A1108 VanDerWaalsContact O-N 3.08Å; A1108-L1112 VanDerWaalsContact O-CG 3.3Å; A1108-L1112 WeakPolarHBondContact O-CG 3.46Å; A1108-L1112 PolarHBondContact O-N 2.98Å
1109	L	92.8	Very high	91.2	Very high	45 Å²	45	68.7 Å²	68.7	24%	0.236	35%	0.353	C	S	.	.	H	α-helix	trans	-64.9	-41.9	175.1	179.4	64.3	0	0	0	111.8	K1105 L1106 Y1107 L1112 L1113 I1125 L1136	K1105-L1109 VanDerWaalsContact O-CB 3.22Å; K1105-L1109 WeakPolarHBondContact O-CB 3.26Å; K1105-L1109 PolarHBondContact O-N 2.81Å; L1106-L1109 HydrophobicContact CD1-CD2 4.35Å; L1106-L1109 PolarHBondContact O-N 3.1Å; Y1107-L1109 VanDerWaalsContact C-N 3.33Å; Y1107-L1109 PolarHBondContact O-N 3.46Å; L1109-L1112 PolarHBondContact O-N 3.11Å; L1109-L1113 HydrophobicContact CD1-CD1 4.15Å; L1109-L1113 HydrophobicContact CD1-CD2 4.5Å; L1109-L1113 HydrophobicContact CD1-CG 4Å; L1109-L1113 HydrophobicContact CD2-CD1 4.38Å; L1109-L1113 HydrophobicContact CG-CD1 3.82Å; L1109-L1113 HydrophobicContact CG-CG 4.12Å; L1109-L1113 WeakPolarHBondContact O-CB 3.41Å; L1109-L1113 VanDerWaalsContact O-CG 3.28Å; L1109-L1113 WeakPolarHBondContact O-CG 3.46Å; L1109-L1113 PolarHBondContact O-N 3.23Å; L1109-I1125 HydrophobicContact CD2-CD1 4.25Å; L1109-L1136 HydrophobicContact CD2-CD2 3.77Å
1110	D	91.9	Very high	91.5	Very high	66 Å²	66	70.9 Å²	70.9	35%	0.353	38%	0.38	S	S	.	.	H	α-helix	trans	-61.9	-43.5	179.3	-175.8	56	0	0	0	112.5	I1100 L1106 Y1107 L1112 L1113 T1114	I1100-D1110 HydrophobicContact CG2-CB 4.1Å; L1106-D1110 WeakPolarHBondContact O-CB 3.5Å; L1106-D1110 PolarHBondContact O-N 3.29Å; Y1107-D1110 PolarHBondContact O-N 3.5Å; D1110-L1112 PolarHBondContact O-N 2.93Å; D1110-L1113 PolarHBondContact O-N 3.29Å; D1110-T1114 WeakPolarHBondContact O-CB 3.44Å; D1110-T1114 PolarHBondContact O-N 3.04Å; D1110-T1114 PolarHBondContact O-OG1 3.3Å
1111	V	91.8	Very high	91.7	Very high	81 Å²	81	74.7 Å²	74.7	49%	0.491	40%	0.397	S	S	.	.	H	α-helix	trans	-62.1	-42.4	173.6	175.7	0	0	0	0	111.5	Y1107 R1115	Y1107-V1111 HydrophobicContact CE1-CG2 4.45Å; Y1107-V1111 PolarHBondContact O-N 2.93Å; V1111-R1115 PolarHBondContact O-N 3.02Å
1112	L	92.2	Very high	91.9	Very high	80 Å²	80	82.3 Å²	82.3	42%	0.419	42%	0.416	S	S	.	.	H	α-helix	trans	-68.3	-42.7	177.3	-70.5	171	0	0	0	112.2	A1108 L1109 D1110 R1115 L1116	A1108-L1112 VanDerWaalsContact O-CG 3.3Å; A1108-L1112 WeakPolarHBondContact O-CG 3.46Å; A1108-L1112 PolarHBondContact O-N 2.98Å; L1109-L1112 PolarHBondContact O-N 3.11Å; D1110-L1112 PolarHBondContact O-N 2.93Å; L1112-R1115 PolarHBondContact O-N 3.26Å; L1112-L1116 WeakPolarHBondContact O-CB 3.4Å; L1112-L1116 VanDerWaalsContact O-CG 3.3Å; L1112-L1116 WeakPolarHBondContact O-CG 3.37Å; L1112-L1116 PolarHBondContact O-N 3.25Å
1113	L	91.8	Very high	92	Very high	42 Å²	42	84.2 Å²	84.2	22%	0.22	43%	0.428	C	S	.	.	H	α-helix	trans	-63.1	-41.2	176.3	-74.7	175.4	0	0	0	111.3	L1109 D1110 R1115 L1116 K1117 V1123	L1109-L1113 HydrophobicContact CD1-CD1 4.15Å; L1109-L1113 HydrophobicContact CD1-CD2 4.5Å; L1109-L1113 HydrophobicContact CD1-CG 4Å; L1109-L1113 HydrophobicContact CD2-CD1 4.38Å; L1109-L1113 HydrophobicContact CG-CD1 3.82Å; L1109-L1113 HydrophobicContact CG-CG 4.12Å; L1109-L1113 WeakPolarHBondContact O-CB 3.41Å; L1109-L1113 VanDerWaalsContact O-CG 3.28Å; L1109-L1113 WeakPolarHBondContact O-CG 3.46Å; L1109-L1113 PolarHBondContact O-N 3.23Å; D1110-L1113 PolarHBondContact O-N 3.29Å; L1113-R1115 VanDerWaalsContact C-N 3.32Å; L1113-R1115 PolarHBondContact O-N 3.34Å; L1113-L1116 PolarHBondContact O-N 3.48Å; L1113-K1117 WeakPolarHBondContact O-CB 3.22Å; L1113-K1117 PolarHBondContact O-N 2.74Å; L1113-V1123 HydrophobicContact CD2-CB 4.05Å; L1113-V1123 HydrophobicContact CD2-CG1 3.84Å; L1113-V1123 HydrophobicContact CD2-CG2 4.07Å
1114	T	90.9	Very high	92	Very high	87 Å²	87	90.8 Å²	90.8	53%	0.534	46%	0.462	S	S	.	.	H	α-helix	trans	-59.7	-42.8	175.9	-63.9	0	0	0	0	111.5	D1110 S1118	D1110-T1114 WeakPolarHBondContact O-CB 3.44Å; D1110-T1114 PolarHBondContact O-N 3.04Å; D1110-T1114 PolarHBondContact O-OG1 3.3Å; T1114-S1118 PolarHBondContact O-N 2.85Å
1115	R	92	Very high	91.9	Very high	169 Å²	169	93.7 Å²	93.7	64%	0.638	47%	0.473	S	S	*	.	H	α-helix	trans	-68.5	-44.7	175.2	-178	177.1	176.5	172.8	0.6	113	V1111 L1112 L1113 K1117 S1118 Q1119	V1111-R1115 PolarHBondContact O-N 3.02Å; L1112-R1115 PolarHBondContact O-N 3.26Å; L1113-R1115 VanDerWaalsContact C-N 3.32Å; L1113-R1115 PolarHBondContact O-N 3.34Å; R1115-K1117 VanDerWaalsContact C-N 3.29Å; R1115-K1117 PolarHBondContact O-N 3.1Å; R1115-S1118 PolarHBondContact O-N 3.41Å; R1115-S1118 PolarHBondContact O-OG 3.08Å; R1115-Q1119 WeakPolarHBondContact O-CG 3.47Å; R1115-Q1119 PolarHBondContact O-N 3.48Å; R1115-Q1119 PolarHBondContact O-OE1 3.09Å
1116	L	91.8	Very high	91.8	Very high	55 Å²	55	99 Å²	99	29%	0.288	49%	0.492	S	S	.	.	H	α-helix	trans	-68.3	-31	179.8	-69.5	168.9	0	0	0	111.9	L1112 L1113 Q1119 G1120 H1121 V1123	L1112-L1116 WeakPolarHBondContact O-CB 3.4Å; L1112-L1116 VanDerWaalsContact O-CG 3.3Å; L1112-L1116 WeakPolarHBondContact O-CG 3.37Å; L1112-L1116 PolarHBondContact O-N 3.25Å; L1113-L1116 PolarHBondContact O-N 3.48Å; L1116-Q1119 CarbonylContact O-C 3.6Å; L1116-Q1119 PolarHBondContact O-N 3.46Å; L1116-G1120 PolarHBondContact O-N 2.91Å; L1116-G1120 VanDerWaalsContact O-N 3.13Å; L1116-H1121 HydrophobicContact CB-CB 4.48Å; L1116-H1121 HydrophobicContact CD2-CB 4.32Å; L1116-H1121 PolarHBondContact O-N 3.27Å; L1116-V1123 HydrophobicContact CB-CG2 3.99Å; L1116-V1123 HydrophobicContact CD1-CG2 3.79Å; L1116-V1123 HydrophobicContact CG-CG2 4.5Å
1117	K	90.1	Very high	91.7	Very high	175 Å²	175	100.3 Å²	100.3	76%	0.761	50%	0.502	S	S	*	.	H	α-helix	trans	-67.9	-41	174.8	-177.4	177.4	178.3	-178.6	0	112.4	L1113 R1115 Q1119 G1120	L1113-K1117 WeakPolarHBondContact O-CB 3.22Å; L1113-K1117 PolarHBondContact O-N 2.74Å; R1115-K1117 VanDerWaalsContact C-N 3.29Å; R1115-K1117 PolarHBondContact O-N 3.1Å; K1117-Q1119 PolarHBondContact O-N 3.48Å; K1117-G1120 PolarHBondContact O-N 3.09Å; K1117-G1120 VanDerWaalsContact O-N 3.1Å
1118	S	90.7	Very high	91.6	Very high	105 Å²	105	101.2 Å²	101.2	73%	0.734	51%	0.511	S	S	*	.	H	α-helix	trans	-69.9	-19.5	174.2	63.4	0	0	0	0	113.2	T1114 R1115	T1114-S1118 PolarHBondContact O-N 2.85Å; R1115-S1118 PolarHBondContact O-N 3.41Å; R1115-S1118 PolarHBondContact O-OG 3.08Å
1119	Q	92.3	Very high	91.4	Very high	96 Å²	96	101.1 Å²	101.1	45%	0.449	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-2.5	170.3	-63	176.6	-63.5	0	0	113.8	R1115 L1116 K1117 H1121	R1115-Q1119 WeakPolarHBondContact O-CG 3.47Å; R1115-Q1119 PolarHBondContact O-N 3.48Å; R1115-Q1119 PolarHBondContact O-OE1 3.09Å; L1116-Q1119 CarbonylContact O-C 3.6Å; L1116-Q1119 PolarHBondContact O-N 3.46Å; K1117-Q1119 PolarHBondContact O-N 3.48Å; Q1119-H1121 VanDerWaalsContact C-N 3.26Å; Q1119-H1121 VanDerWaalsContact CB-CD2 3.48Å; Q1119-H1121 WeakPolarHBondContact CB-CD2 3.43Å; Q1119-H1121 PolarHBondContact O-N 2.8Å
1120	G	91.9	Very high	91.3	Very high	64 Å²	64	104.2 Å²	104.2	66%	0.66	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	13.2	-179.5	0	0	0	0	0	115.5	L1116 K1117	L1116-G1120 PolarHBondContact O-N 2.91Å; L1116-G1120 VanDerWaalsContact O-N 3.13Å; K1117-G1120 PolarHBondContact O-N 3.09Å; K1117-G1120 VanDerWaalsContact O-N 3.1Å
1121	H	91.8	Very high	91.2	Very high	110 Å²	110	108.8 Å²	108.8	51%	0.509	54%	0.54	S	S	.	.			trans	-76.7	138.2	-176.8	-65.7	-44.4	0	0	0	112.5	L1116 Q1119	L1116-H1121 HydrophobicContact CB-CB 4.48Å; L1116-H1121 HydrophobicContact CD2-CB 4.32Å; L1116-H1121 PolarHBondContact O-N 3.27Å; Q1119-H1121 VanDerWaalsContact C-N 3.26Å; Q1119-H1121 VanDerWaalsContact CB-CD2 3.48Å; Q1119-H1121 WeakPolarHBondContact CB-CD2 3.43Å; Q1119-H1121 PolarHBondContact O-N 2.8Å
1122	R	92.8	Very high	91.2	Very high	249 Å²	249	105.9 Å²	105.9	94%	0.94	52%	0.521	S	S	*	.			trans	-77.3	129.6	171.5	-65	-176.6	-67	-178.8	-1.7	109.8
1123	V	91.1	Very high	91.2	Very high	63 Å²	63	106.1 Å²	106.1	38%	0.382	52%	0.522	S	S	.	.			trans	-115.5	137.3	-177.6	-173.2	0	0	0	0	110.4	L1113 L1116 I1125	L1113-V1123 HydrophobicContact CD2-CB 4.05Å; L1113-V1123 HydrophobicContact CD2-CG1 3.84Å; L1113-V1123 HydrophobicContact CD2-CG2 4.07Å; L1116-V1123 HydrophobicContact CB-CG2 3.99Å; L1116-V1123 HydrophobicContact CD1-CG2 3.79Å; L1116-V1123 HydrophobicContact CG-CG2 4.5Å; V1123-I1125 HydrophobicContact CG1-CG1 4.47Å
1124	L	92.4	Very high	91.1	Very high	137 Å²	137	107.7 Å²	107.7	72%	0.717	53%	0.53	S	S	*	.			trans	-114.4	131.5	173.1	-66.5	174.7	0	0	0	109.5	Y1126	L1124-Y1126 HydrophobicContact CB-CE2 4.03Å
1125	I	91.4	Very high	91	Very high	78 Å²	78	103.9 Å²	103.9	40%	0.4	51%	0.507	S	S	.	.			trans	-113.6	116.8	-179.1	-55.4	170.4	0	0	0	109.2	L1109 V1123 L1136	L1109-I1125 HydrophobicContact CD2-CD1 4.25Å; V1123-I1125 HydrophobicContact CG1-CG1 4.47Å; I1125-L1136 HydrophobicContact CG2-CD1 3.89Å
1126	Y	91.6	Very high	90.9	Very high	204 Å²	204	96.6 Å²	96.6	80%	0.8	48%	0.48	S	S	*	.			trans	-97.6	128.3	177.3	-65	-84.1	0	0	0	111	L1124	L1124-Y1126 HydrophobicContact CB-CE2 4.03Å
1127	S	90.2	Very high	90.7	Very high	37 Å²	37	98.4 Å²	98.4	26%	0.259	49%	0.487	S	S	.	.			trans	-135.5	134.8	176.4	173.9	0	0	0	0	111.2	M1129 M1132	S1127-M1129 PolarHBondContact O-N 2.89Å; S1127-M1129 PolarHBondContact OG-N 2.87Å; S1127-M1129 PolarHBondContact OG-O 3.27Å; S1127-M1132 WeakPolarHBondContact OG-CB 3.5Å
1128	Q	89.4	Confident	90.4	Very high	157 Å²	157	94.6 Å²	94.6	73%	0.734	48%	0.475	S	S	*	.	S	Bend	trans	-77.9	-3.9	171.3	-64.5	-175.3	-4.8	0	0	113.3
1129	M	89.3	Confident	90.1	Very high	24 Å²	24	90.8 Å²	90.8	12%	0.118	45%	0.448	C	S	.	.			trans	-125.6	114.1	-177.1	-60.4	-177.5	-171.5	0	0	109.5	M812 R815 K816 L823 S1127 R1131 M1132 I1133	M812-M1129 HydrophobicContact CE-CE 4.06Å; R815-M1129 HydrophobicContact CB-CE 4.04Å; K816-M1129 HydrophobicContact CG-CE 3.85Å; K816-M1129 HydrophobicContact CG-SD 3.68Å; L823-M1129 HydrophobicContact CD1-SD 4.07Å; S1127-M1129 PolarHBondContact O-N 2.89Å; S1127-M1129 PolarHBondContact OG-N 2.87Å; S1127-M1129 PolarHBondContact OG-O 3.27Å; M1129-R1131 VanDerWaalsContact C-N 3.31Å; M1129-R1131 PolarHBondContact O-N 3.09Å; M1129-M1132 HydrophobicContact CB-CB 4.19Å; M1129-M1132 WeakPolarHBondContact O-CB 3.29Å; M1129-M1132 PolarHBondContact O-N 3.35Å; M1129-I1133 PolarHBondContact O-N 3.34Å
1130	T	90.2	Very high	89.6	Confident	109 Å²	109	90.8 Å²	90.8	67%	0.669	46%	0.458	S	S	*	.	H	α-helix	trans	-55	-45.8	177.9	50.3	0	0	0	0	111.6	M1132 I1133 D1134	T1130-M1132 PolarHBondContact O-N 2.59Å; T1130-I1133 CarbonylContact O-C 3.43Å; T1130-I1133 VanDerWaalsContact O-CA 3.29Å; T1130-I1133 WeakPolarHBondContact O-CA 3.49Å; T1130-I1133 VanDerWaalsContact O-CB 3.24Å; T1130-I1133 WeakPolarHBondContact O-CB 3.08Å; T1130-I1133 PolarHBondContact O-N 3.34Å; T1130-D1134 PolarHBondContact O-N 3.47Å; T1130-D1134 VanDerWaalsContact O-OD1 3.05Å
1131	R	89	Confident	88.5	Confident	163 Å²	163	97.1 Å²	97.1	62%	0.615	46%	0.462	S	S	*	.	H	α-helix	trans	-56.5	-21.2	174.7	-72	-171.8	179	-172.5	-0.1	115.8	L823 M1129 D1134 L1135	L823-R1131 HydrophobicContact CD2-CB 3.6Å; M1129-R1131 VanDerWaalsContact C-N 3.31Å; M1129-R1131 PolarHBondContact O-N 3.09Å; R1131-D1134 WeakPolarHBondContact CA-OD2 3.33Å; R1131-L1135 VanDerWaalsContact O-CG 3.3Å; R1131-L1135 WeakPolarHBondContact O-CG 3.42Å; R1131-L1135 PolarHBondContact O-N 3.45Å
1132	M	92.4	Very high	88.4	Confident	19 Å²	19	96.5 Å²	96.5	9%	0.094	46%	0.459	C	S	.	.	H	α-helix	trans	-78.2	-33.3	172	-173.8	69.7	-162.8	0	0	110.7	N819 H820 L823 S1127 M1129 T1130 L1135 L1136	N819-M1132 HydrophobicContact CB-SD 4.35Å; H820-M1132 HydrophobicContact CB-CE 4.27Å; H820-M1132 HydrophobicContact CB-SD 3.75Å; L823-M1132 HydrophobicContact CD1-CB 4.24Å; L823-M1132 HydrophobicContact CD1-SD 3.84Å; L823-M1132 HydrophobicContact CD2-CB 4.41Å; S1127-M1132 WeakPolarHBondContact OG-CB 3.5Å; M1129-M1132 HydrophobicContact CB-CB 4.19Å; M1129-M1132 WeakPolarHBondContact O-CB 3.29Å; M1129-M1132 PolarHBondContact O-N 3.35Å; T1130-M1132 PolarHBondContact O-N 2.59Å; M1132-L1135 PolarHBondContact O-N 3.4Å; M1132-L1136 HydrophobicContact CE-CD1 4.44Å; M1132-L1136 HydrophobicContact CE-CD2 4.42Å; M1132-L1136 HydrophobicContact CE-CG 4.24Å; M1132-L1136 HydrophobicContact CG-CD1 4.22Å; M1132-L1136 WeakPolarHBondContact O-CB 3.35Å; M1132-L1136 WeakPolarHBondContact O-CD1 3.43Å; M1132-L1136 VanDerWaalsContact O-CG 3.22Å; M1132-L1136 WeakPolarHBondContact O-CG 3.39Å; M1132-L1136 PolarHBondContact O-N 2.72Å
1133	I	92.1	Very high	88.1	Confident	85 Å²	85	88.5 Å²	88.5	44%	0.436	43%	0.434	S	S	.	.	H	α-helix	trans	-66.8	-44.3	171.5	-49.3	177	0	0	0	109.3	M1129 T1130 L1135 L1136 E1137	M1129-I1133 PolarHBondContact O-N 3.34Å; T1130-I1133 CarbonylContact O-C 3.43Å; T1130-I1133 VanDerWaalsContact O-CA 3.29Å; T1130-I1133 WeakPolarHBondContact O-CA 3.49Å; T1130-I1133 VanDerWaalsContact O-CB 3.24Å; T1130-I1133 WeakPolarHBondContact O-CB 3.08Å; T1130-I1133 PolarHBondContact O-N 3.34Å; I1133-L1135 VanDerWaalsContact C-N 3.26Å; I1133-L1135 PolarHBondContact O-N 3.4Å; I1133-L1136 PolarHBondContact O-N 3.43Å; I1133-E1137 WeakPolarHBondContact O-CB 3.15Å; I1133-E1137 PolarHBondContact O-N 2.89Å
1134	D	89.8	Confident	88	Confident	75 Å²	75	89.9 Å²	89.9	40%	0.401	44%	0.437	S	S	.	.	H	α-helix	trans	-54.6	-41.9	173.7	-48.8	-7.5	0	0	0	111.7	T1130 R1131 L1138	T1130-D1134 PolarHBondContact O-N 3.47Å; T1130-D1134 VanDerWaalsContact O-OD1 3.05Å; R1131-D1134 WeakPolarHBondContact CA-OD2 3.33Å; D1134-L1138 VanDerWaalsContact O-CG 3.29Å; D1134-L1138 WeakPolarHBondContact O-CG 3.05Å; D1134-L1138 PolarHBondContact O-N 3.34Å; D1134-L1138 VanDerWaalsContact O-N 3.07Å
1135	L	88.9	Confident	87.7	Confident	8 Å²	8	87.1 Å²	87.1	4%	0.042	42%	0.421	C	S	.	.	H	α-helix	trans	-73	-38.9	178.1	-71.8	174.8	0	0	0	112.9	H820 E822 L823 L1099 R1131 M1132 I1133 E1137 L1138 S1139	H820-L1135 HydrophobicContact CB-CD1 4.37Å; E822-L1135 HydrophobicContact CB-CD1 3.94Å; E822-L1135 HydrophobicContact CB-CD2 4.42Å; E822-L1135 WeakPolarHBondContact OE2-CD2 3.4Å; L823-L1135 HydrophobicContact CD2-CD1 3.9Å; L823-L1135 HydrophobicContact CG-CD1 4.09Å; L1099-L1135 HydrophobicContact CD1-CD2 4.21Å; R1131-L1135 VanDerWaalsContact O-CG 3.3Å; R1131-L1135 WeakPolarHBondContact O-CG 3.42Å; R1131-L1135 PolarHBondContact O-N 3.45Å; M1132-L1135 PolarHBondContact O-N 3.4Å; I1133-L1135 VanDerWaalsContact C-N 3.26Å; I1133-L1135 PolarHBondContact O-N 3.4Å; L1135-E1137 VanDerWaalsContact C-N 3.34Å; L1135-L1138 PolarHBondContact O-N 3Å; L1135-S1139 WeakPolarHBondContact O-CB 3.39Å; L1135-S1139 PolarHBondContact O-N 3.25Å
1136	L	89.7	Confident	87.5	Confident	16 Å²	16	87.7 Å²	87.7	8%	0.084	42%	0.422	C	S	.	.	H	α-helix	trans	-63.5	-42.1	173.5	-75	162.6	0	0	0	110.8	L1106 L1109 I1125 M1132 I1133 L1138 S1139 C1140	L1106-L1136 HydrophobicContact CD1-CD2 3.64Å; L1109-L1136 HydrophobicContact CD2-CD2 3.77Å; I1125-L1136 HydrophobicContact CG2-CD1 3.89Å; M1132-L1136 HydrophobicContact CE-CD1 4.44Å; M1132-L1136 HydrophobicContact CE-CD2 4.42Å; M1132-L1136 HydrophobicContact CE-CG 4.24Å; M1132-L1136 HydrophobicContact CG-CD1 4.22Å; M1132-L1136 WeakPolarHBondContact O-CB 3.35Å; M1132-L1136 WeakPolarHBondContact O-CD1 3.43Å; M1132-L1136 VanDerWaalsContact O-CG 3.22Å; M1132-L1136 WeakPolarHBondContact O-CG 3.39Å; M1132-L1136 PolarHBondContact O-N 2.72Å; I1133-L1136 PolarHBondContact O-N 3.43Å; L1136-L1138 PolarHBondContact O-N 3.34Å; L1136-S1139 CarbonylContact O-C 3.46Å; L1136-S1139 WeakPolarHBondContact O-CB 3.37Å; L1136-S1139 PolarHBondContact O-N 3.19Å; L1136-S1139 VanDerWaalsContact O-N 3.08Å; L1136-C1140 WeakPolarHBondContact O-CB 3.3Å; L1136-C1140 PolarHBondContact O-N 3.43Å; L1136-C1140 PolarHBondContact O-SG 3.36Å
1137	E	88.5	Confident	87.2	Confident	93 Å²	93	79.9 Å²	79.9	44%	0.435	40%	0.397	S	S	.	.	H	α-helix	trans	-61.6	-43.6	174.8	-175	178.6	-169.1	0	0	111.4	I1133 L1135 S1139 C1140 R1141	I1133-E1137 WeakPolarHBondContact O-CB 3.15Å; I1133-E1137 PolarHBondContact O-N 2.89Å; L1135-E1137 VanDerWaalsContact C-N 3.34Å; E1137-S1139 PolarHBondContact O-N 3.42Å; E1137-C1140 PolarHBondContact O-N 3.46Å; E1137-R1141 HydrophobicContact CG-CG 4.21Å; E1137-R1141 VanDerWaalsContact O-CB 3.28Å; E1137-R1141 WeakPolarHBondContact O-CB 3.46Å; E1137-R1141 VanDerWaalsContact O-CG 3.23Å; E1137-R1141 WeakPolarHBondContact O-CG 3.41Å; E1137-R1141 PolarHBondContact O-N 3.3Å; E1137-R1141 IonicContact OE1-CZ 2.69Å; E1137-R1141 IonicContact OE1-NE 3.01Å; E1137-R1141 PolarHBondContact OE1-NE 3.08Å; E1137-R1141 IonicContact OE1-NH2 3.59Å; E1137-R1141 PolarHBondContact OE1-NH2 3.26Å
1138	L	84.1	Confident	87	Confident	95 Å²	95	83 Å²	83	50%	0.497	41%	0.406	S	S	.	.	H	α-helix	trans	-65.7	-19.2	173.9	-74	168.1	0	0	0	114.2	D1134 L1135 L1136	D1134-L1138 VanDerWaalsContact O-CG 3.29Å; D1134-L1138 WeakPolarHBondContact O-CG 3.05Å; D1134-L1138 PolarHBondContact O-N 3.34Å; D1134-L1138 VanDerWaalsContact O-N 3.07Å; L1135-L1138 PolarHBondContact O-N 3Å; L1136-L1138 PolarHBondContact O-N 3.34Å
1139	S	83.1	Confident	86.8	Confident	24 Å²	24	77.3 Å²	77.3	17%	0.168	38%	0.381	C	S	.	.	H	α-helix	trans	-93.2	-23.8	176.5	-164.1	0	0	0	0	113.5	L1135 L1136 E1137	L1135-S1139 WeakPolarHBondContact O-CB 3.39Å; L1135-S1139 PolarHBondContact O-N 3.25Å; L1136-S1139 CarbonylContact O-C 3.46Å; L1136-S1139 WeakPolarHBondContact O-CB 3.37Å; L1136-S1139 PolarHBondContact O-N 3.19Å; L1136-S1139 VanDerWaalsContact O-N 3.08Å; E1137-S1139 PolarHBondContact O-N 3.42Å
1140	C	81.5	Confident	86.6	Confident	97 Å²	97	81.8 Å²	81.8	66%	0.655	40%	0.403	S	S	*	.	H	α-helix	trans	-94.7	-25.3	177.5	-65.5	0	0	0	0	113.2	L1136 E1137	L1136-C1140 WeakPolarHBondContact O-CB 3.3Å; L1136-C1140 PolarHBondContact O-N 3.43Å; L1136-C1140 PolarHBondContact O-SG 3.36Å; E1137-C1140 PolarHBondContact O-N 3.46Å
1141	R	69.8	Low	86.3	Confident	197 Å²	197	79.3 Å²	79.3	74%	0.743	38%	0.379	S	S	*	.			trans	-75.7	0	162.3	-68.4	172.6	174.6	-129.8	10.1	111	K1096 E1137	K1096-R1141 PolarHBondContact NZ-O 3.35Å; K1096-R1141 PolarHBondContact NZ-OXT 3.35Å; E1137-R1141 HydrophobicContact CG-CG 4.21Å; E1137-R1141 VanDerWaalsContact O-CB 3.28Å; E1137-R1141 WeakPolarHBondContact O-CB 3.46Å; E1137-R1141 VanDerWaalsContact O-CG 3.23Å; E1137-R1141 WeakPolarHBondContact O-CG 3.41Å; E1137-R1141 PolarHBondContact O-N 3.3Å; E1137-R1141 IonicContact OE1-CZ 2.69Å; E1137-R1141 IonicContact OE1-NE 3.01Å; E1137-R1141 PolarHBondContact OE1-NE 3.08Å; E1137-R1141 IonicContact OE1-NH2 3.59Å; E1137-R1141 PolarHBondContact OE1-NH2 3.26Å

Retrieved 1,141 of 1,141 residues in 563 ms (Link to these results)

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